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 1rv3_1_B DATA FIRST_RESID 15 DATA SEQUENCE WSSHEQMLAQ PLKDSDAEVY DIIKKESNRQ RVGLELIASE NFASRAVLEA DATA SEQUENCE LGSCLNNKYS LGYPGQRYYG GTEHIDELET LCQKRALQAY GLDPQCWGVN DATA SEQUENCE VQPYSGSPAN FAVYTALVEP HGRIMGLDLP DGGHLTHGFM TDKKKISATS DATA SEQUENCE IFFESMAYKV NPDTGYIDYD RLEENARLFH PKLIIAGTSC YSRNLDYGRL DATA SEQUENCE RKIADENGAY LMADMAHISG LVVAGVVPSP FEHCHVVTTT THKTLRGCRA DATA SEQUENCE GMIFYRRGVR SVDXXXXKEI LYNLESLINS AVFPGLQGGP HNHAIAGVAV DATA SEQUENCE ALKQAMTPEF KEYQRQVVAN CRALSAALVE LGYKIVTGGS DNHLILVDLR DATA SEQUENCE SKGTDGGRAE KVLEACSIAC NKNTCPGDKS ALRPSGLRLG TPALTSRGLL DATA SEQUENCE EKDFQKVAHF IHRGIELTVQ IQDDTGPRAT LKEFKEKLAG DEKHQRAVRA DATA SEQUENCE LRQEVESFAA LFPLPGLPGF 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 15 W HA 0.000 nan 4.660 nan 0.000 0.303 15 W C 0.000 176.547 176.519 0.047 0.000 1.175 15 W CA 0.000 57.365 57.345 0.033 0.000 1.226 15 W CB 0.000 29.463 29.460 0.006 0.000 1.126 16 S N 1.310 116.845 115.700 -0.275 0.000 2.453 16 S HA -0.085 4.386 4.470 0.000 0.000 0.231 16 S C 1.687 176.263 174.600 -0.039 0.000 1.005 16 S CA 1.772 59.938 58.200 -0.057 0.000 0.949 16 S CB -0.592 62.506 63.200 -0.170 0.000 0.774 16 S HN 0.387 nan 8.310 nan 0.000 0.510 17 S N 0.301 115.938 115.700 -0.105 0.000 2.650 17 S HA 0.016 4.486 4.470 0.000 0.000 0.219 17 S C 1.578 176.184 174.600 0.010 0.000 0.960 17 S CA 0.150 58.313 58.200 -0.062 0.000 0.925 17 S CB -0.624 62.510 63.200 -0.111 0.000 0.775 17 S HN 0.744 nan 8.310 nan 0.000 0.525 18 H N 1.864 120.924 119.070 -0.018 0.000 2.357 18 H HA 0.025 4.582 4.556 0.000 0.000 0.301 18 H C 1.581 176.909 175.328 -0.001 0.000 1.082 18 H CA 1.954 58.007 56.048 0.007 0.000 1.342 18 H CB -0.150 29.637 29.762 0.042 0.000 1.389 18 H HN 0.592 nan 8.280 nan 0.000 0.511 19 E N 0.236 120.538 120.200 0.169 0.000 2.152 19 E HA -0.163 4.187 4.350 0.000 0.000 0.192 19 E C 2.225 178.811 176.600 -0.023 0.000 0.983 19 E CA 0.493 56.945 56.400 0.086 0.000 0.818 19 E CB -0.005 29.763 29.700 0.114 0.000 0.758 19 E HN 0.545 nan 8.360 nan 0.000 0.467 20 Q N 0.374 120.158 119.800 -0.027 0.000 2.488 20 Q HA -0.075 4.265 4.340 0.000 0.000 0.211 20 Q C 1.933 177.888 176.000 -0.074 0.000 0.967 20 Q CA 0.441 56.215 55.803 -0.047 0.000 0.926 20 Q CB 0.109 28.819 28.738 -0.047 0.000 0.992 20 Q HN 0.275 nan 8.270 nan 0.000 0.506 21 M N -0.673 118.859 119.600 -0.113 0.000 2.357 21 M HA -0.001 4.479 4.480 0.000 0.000 0.266 21 M C 1.218 177.433 176.300 -0.142 0.000 1.095 21 M CA 0.926 56.144 55.300 -0.137 0.000 1.156 21 M CB 0.319 32.807 32.600 -0.186 0.000 1.365 21 M HN 0.254 nan 8.290 nan 0.000 0.447 22 L N 0.097 121.217 121.223 -0.171 0.000 2.478 22 L HA 0.055 4.395 4.340 0.000 0.000 0.223 22 L C 2.031 178.855 176.870 -0.077 0.000 1.140 22 L CA 0.570 55.334 54.840 -0.127 0.000 0.842 22 L CB -0.456 41.528 42.059 -0.126 0.000 0.953 22 L HN 0.406 nan 8.230 nan 0.000 0.452 23 A N -1.332 121.446 122.820 -0.069 0.000 2.382 23 A HA 0.053 4.373 4.320 0.000 0.000 0.228 23 A C 0.994 178.546 177.584 -0.053 0.000 1.217 23 A CA -0.237 51.769 52.037 -0.052 0.000 0.923 23 A CB 0.072 19.048 19.000 -0.041 0.000 0.979 23 A HN 0.315 nan 8.150 nan 0.000 0.515 24 Q N 1.300 121.064 119.800 -0.060 0.000 2.337 24 Q HA 0.271 4.611 4.340 0.000 0.000 0.270 24 Q C -2.405 173.561 176.000 -0.057 0.000 1.002 24 Q CA -1.497 54.270 55.803 -0.059 0.000 0.888 24 Q CB 0.498 29.198 28.738 -0.063 0.000 1.222 24 Q HN 0.180 nan 8.270 nan 0.000 0.400 25 P HA -0.057 nan 4.420 nan 0.000 0.272 25 P C 0.192 177.459 177.300 -0.055 0.000 1.230 25 P CA -0.400 62.661 63.100 -0.064 0.000 0.788 25 P CB 0.566 32.216 31.700 -0.084 0.000 0.949 26 L N 2.861 124.077 121.223 -0.013 0.000 2.042 26 L HA -0.179 4.161 4.340 0.000 0.000 0.210 26 L C 2.061 178.914 176.870 -0.028 0.000 1.076 26 L CA 1.963 56.834 54.840 0.053 0.000 0.749 26 L CB -0.967 41.219 42.059 0.212 0.000 0.893 26 L HN 0.322 nan 8.230 nan 0.000 0.432 27 K N -0.877 119.380 120.400 -0.237 0.000 2.103 27 K HA -0.198 4.122 4.320 0.000 0.000 0.207 27 K C 1.463 177.862 176.600 -0.333 0.000 1.048 27 K CA 1.937 57.813 56.287 -0.686 0.000 0.930 27 K CB -0.089 31.889 32.500 -0.870 0.000 0.716 27 K HN 0.515 nan 8.250 nan 0.000 0.444 28 D N -0.832 119.453 120.400 -0.191 0.000 2.262 28 D HA -0.069 4.571 4.640 0.000 0.000 0.212 28 D C 1.879 178.134 176.300 -0.076 0.000 0.964 28 D CA 0.588 54.516 54.000 -0.120 0.000 0.875 28 D CB -0.104 40.637 40.800 -0.099 0.000 0.996 28 D HN 0.123 nan 8.370 nan 0.000 0.497 29 S N -0.078 115.585 115.700 -0.062 0.000 2.356 29 S HA -0.143 4.327 4.470 0.000 0.000 0.223 29 S C 0.612 175.202 174.600 -0.017 0.000 1.032 29 S CA 1.095 59.272 58.200 -0.038 0.000 1.005 29 S CB 0.105 63.286 63.200 -0.031 0.000 0.867 29 S HN 0.011 nan 8.310 nan 0.000 0.449 30 D N -0.318 120.085 120.400 0.005 0.000 2.405 30 D HA 0.548 5.188 4.640 0.000 0.000 0.264 30 D C 0.539 176.880 176.300 0.068 0.000 1.240 30 D CA 0.235 54.255 54.000 0.033 0.000 0.893 30 D CB 1.046 41.874 40.800 0.048 0.000 1.198 30 D HN 0.245 nan 8.370 nan 0.000 0.514 31 A N 2.551 125.396 122.820 0.042 0.000 1.940 31 A HA -0.202 4.118 4.320 0.000 0.000 0.219 31 A C 1.894 179.547 177.584 0.114 0.000 1.176 31 A CA 1.574 53.656 52.037 0.075 0.000 0.631 31 A CB -0.209 18.810 19.000 0.032 0.000 0.814 31 A HN 0.584 nan 8.150 nan 0.000 0.446 32 E N -0.507 119.734 120.200 0.068 0.000 2.051 32 E HA -0.130 4.220 4.350 0.000 0.000 0.192 32 E C 1.895 178.524 176.600 0.049 0.000 0.991 32 E CA 1.435 57.865 56.400 0.050 0.000 0.799 32 E CB -0.104 29.613 29.700 0.029 0.000 0.748 32 E HN 0.334 nan 8.360 nan 0.000 0.449 33 V N 0.377 120.328 119.914 0.061 0.000 2.358 33 V HA -0.235 3.885 4.120 0.000 0.000 0.246 33 V C 2.036 178.156 176.094 0.043 0.000 1.047 33 V CA 1.877 64.203 62.300 0.043 0.000 1.035 33 V CB -0.643 31.213 31.823 0.056 0.000 0.658 33 V HN 0.416 nan 8.190 nan 0.000 0.452 34 Y N 1.487 121.779 120.300 -0.014 0.000 2.165 34 Y HA -0.306 4.244 4.550 0.000 0.000 0.286 34 Y C 2.326 178.177 175.900 -0.080 0.000 1.155 34 Y CA 2.269 60.353 58.100 -0.026 0.000 1.164 34 Y CB -0.314 38.167 38.460 0.036 0.000 0.978 34 Y HN 0.405 nan 8.280 nan 0.000 0.513 35 D N -0.210 120.205 120.400 0.024 0.000 2.144 35 D HA -0.180 4.460 4.640 0.000 0.000 0.200 35 D C 2.111 178.327 176.300 -0.139 0.000 0.978 35 D CA 1.659 55.624 54.000 -0.057 0.000 0.833 35 D CB -0.324 40.490 40.800 0.023 0.000 0.961 35 D HN 0.487 nan 8.370 nan 0.000 0.470 36 I N 0.208 120.712 120.570 -0.109 0.000 2.226 36 I HA -0.228 3.942 4.170 0.000 0.000 0.245 36 I C 2.300 178.306 176.117 -0.186 0.000 1.100 36 I CA 0.692 61.924 61.300 -0.113 0.000 1.374 36 I CB -0.164 37.794 38.000 -0.070 0.000 1.057 36 I HN 0.102 nan 8.210 nan 0.000 0.413 37 I N 0.388 120.787 120.570 -0.285 0.000 2.226 37 I HA -0.278 3.892 4.170 0.000 0.000 0.245 37 I C 2.527 178.367 176.117 -0.462 0.000 1.100 37 I CA 1.135 62.187 61.300 -0.414 0.000 1.374 37 I CB -0.407 37.196 38.000 -0.663 0.000 1.057 37 I HN 0.169 nan 8.210 nan 0.000 0.413 38 K N 1.266 121.360 120.400 -0.510 0.000 2.026 38 K HA -0.148 4.172 4.320 0.000 0.000 0.208 38 K C 2.016 178.482 176.600 -0.222 0.000 1.048 38 K CA 1.419 57.469 56.287 -0.396 0.000 0.929 38 K CB -0.350 31.930 32.500 -0.366 0.000 0.713 38 K HN 0.363 nan 8.250 nan 0.000 0.439 39 K N 0.632 120.928 120.400 -0.173 0.000 2.097 39 K HA -0.167 4.153 4.320 0.000 0.000 0.205 39 K C 2.064 178.608 176.600 -0.093 0.000 1.050 39 K CA 1.188 57.411 56.287 -0.107 0.000 0.938 39 K CB -0.002 32.451 32.500 -0.079 0.000 0.718 39 K HN 0.049 nan 8.250 nan 0.000 0.442 40 E N 1.085 121.218 120.200 -0.112 0.000 2.107 40 E HA -0.128 4.222 4.350 0.000 0.000 0.191 40 E C 1.967 178.526 176.600 -0.068 0.000 0.982 40 E CA 1.349 57.703 56.400 -0.078 0.000 0.809 40 E CB -0.213 29.437 29.700 -0.082 0.000 0.756 40 E HN 0.082 nan 8.360 nan 0.000 0.459 41 S N -0.207 115.423 115.700 -0.116 0.000 2.368 41 S HA -0.217 4.253 4.470 0.000 0.000 0.225 41 S C 1.964 176.524 174.600 -0.066 0.000 1.030 41 S CA 1.705 59.849 58.200 -0.093 0.000 0.999 41 S CB -0.574 62.538 63.200 -0.147 0.000 0.844 41 S HN 0.440 nan 8.310 nan 0.000 0.459 42 N N 0.998 119.654 118.700 -0.074 0.000 2.188 42 N HA -0.033 4.708 4.740 0.000 0.000 0.184 42 N C 1.988 177.478 175.510 -0.033 0.000 1.018 42 N CA 1.153 54.171 53.050 -0.053 0.000 0.858 42 N CB -0.302 38.152 38.487 -0.055 0.000 0.989 42 N HN 0.421 nan 8.380 nan 0.000 0.426 43 R N 0.191 120.675 120.500 -0.027 0.000 2.096 43 R HA -0.070 4.270 4.340 0.000 0.000 0.235 43 R C 1.853 178.163 176.300 0.016 0.000 1.127 43 R CA 1.420 57.516 56.100 -0.007 0.000 0.968 43 R CB -0.087 30.210 30.300 -0.005 0.000 0.861 43 R HN 0.445 nan 8.270 nan 0.000 0.440 44 Q N -0.447 119.370 119.800 0.030 0.000 2.167 44 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 44 Q C 2.146 178.161 176.000 0.027 0.000 0.970 44 Q CA 1.173 57.027 55.803 0.084 0.000 0.855 44 Q CB -0.012 28.814 28.738 0.146 0.000 0.911 44 Q HN 0.274 nan 8.270 nan 0.000 0.438 45 R N 0.574 121.058 120.500 -0.027 0.000 2.073 45 R HA -0.091 4.249 4.340 0.000 0.000 0.229 45 R C 1.920 178.204 176.300 -0.027 0.000 1.120 45 R CA 1.483 57.549 56.100 -0.056 0.000 0.967 45 R CB 0.105 30.369 30.300 -0.061 0.000 0.862 45 R HN 0.270 nan 8.270 nan 0.000 0.436 46 V N -1.904 118.002 119.914 -0.013 0.000 3.633 46 V HA 0.387 4.508 4.120 0.000 0.000 0.283 46 V C 0.478 176.574 176.094 0.004 0.000 1.305 46 V CA 0.230 62.526 62.300 -0.007 0.000 1.153 46 V CB 0.116 31.931 31.823 -0.012 0.000 0.950 46 V HN 0.243 nan 8.190 nan 0.000 0.432 47 G N -0.057 108.755 108.800 0.020 0.000 2.537 47 G HA2 0.680 4.640 3.960 0.000 0.000 0.323 47 G HA3 0.680 4.640 3.960 0.000 0.000 0.323 47 G C -1.166 173.764 174.900 0.050 0.000 1.207 47 G CA -1.067 44.052 45.100 0.032 0.000 0.976 47 G HN 0.250 nan 8.290 nan 0.000 0.487 48 L N 1.280 122.534 121.223 0.051 0.000 2.295 48 L HA 0.320 4.661 4.340 0.000 0.000 0.281 48 L C -0.262 176.659 176.870 0.085 0.000 1.018 48 L CA -0.702 54.178 54.840 0.066 0.000 0.841 48 L CB 1.619 43.721 42.059 0.072 0.000 1.218 48 L HN 0.327 nan 8.230 nan 0.000 0.424 49 E N 4.337 124.607 120.200 0.117 0.000 2.052 49 E HA 0.190 4.540 4.350 0.000 0.000 0.283 49 E C 0.189 176.854 176.600 0.109 0.000 1.071 49 E CA 0.054 56.520 56.400 0.110 0.000 0.851 49 E CB 1.248 31.023 29.700 0.125 0.000 1.066 49 E HN 0.537 nan 8.360 nan 0.000 0.396 50 L N 4.182 125.462 121.223 0.095 0.000 2.808 50 L HA 0.321 4.661 4.340 0.000 0.000 0.246 50 L C 0.658 177.575 176.870 0.079 0.000 1.153 50 L CA -0.103 54.802 54.840 0.109 0.000 0.956 50 L CB 0.447 42.572 42.059 0.110 0.000 1.270 50 L HN 0.390 nan 8.230 nan 0.000 0.528 51 I N 0.903 121.510 120.570 0.063 0.000 2.517 51 I HA -0.028 4.142 4.170 0.000 0.000 0.285 51 I C 1.619 177.786 176.117 0.084 0.000 1.106 51 I CA -0.025 61.311 61.300 0.060 0.000 1.402 51 I CB 1.467 39.494 38.000 0.045 0.000 1.399 51 I HN 0.165 nan 8.210 nan 0.000 0.535 52 A N 4.653 127.543 122.820 0.116 0.000 2.076 52 A HA -0.163 4.157 4.320 0.000 0.000 0.220 52 A C 2.036 179.768 177.584 0.247 0.000 1.160 52 A CA 1.924 54.081 52.037 0.201 0.000 0.653 52 A CB -0.413 18.696 19.000 0.181 0.000 0.801 52 A HN 0.807 nan 8.150 nan 0.000 0.455 53 S N -1.149 114.646 115.700 0.159 0.000 2.577 53 S HA 0.235 4.705 4.470 0.000 0.000 0.219 53 S C 0.259 174.863 174.600 0.006 0.000 0.962 53 S CA -0.416 57.789 58.200 0.008 0.000 0.921 53 S CB 0.103 63.325 63.200 0.037 0.000 0.789 53 S HN 0.586 nan 8.310 nan 0.000 0.497 54 E N 1.105 121.305 120.200 0.000 0.000 2.222 54 E HA 0.547 4.897 4.350 0.000 0.000 0.267 54 E C -0.743 175.768 176.600 -0.148 0.000 0.963 54 E CA -0.770 55.583 56.400 -0.078 0.000 0.837 54 E CB 1.043 30.667 29.700 -0.127 0.000 1.183 54 E HN 0.168 nan 8.360 nan 0.000 0.403 55 N N 0.343 118.882 118.700 -0.268 0.000 3.106 55 N HA 0.356 5.097 4.740 0.000 0.000 0.253 55 N C -1.911 173.292 175.510 -0.512 0.000 1.506 55 N CA -0.535 52.331 53.050 -0.308 0.000 0.876 55 N CB 1.019 39.489 38.487 -0.028 0.000 1.452 55 N HN 0.211 nan 8.380 nan 0.000 0.542 56 F N 1.136 121.120 119.950 0.058 0.000 2.460 56 F HA 0.652 5.179 4.527 0.000 0.000 0.341 56 F C 0.787 176.604 175.800 0.028 0.000 1.130 56 F CA -0.766 57.256 58.000 0.037 0.000 0.962 56 F CB 1.395 40.408 39.000 0.023 0.000 1.171 56 F HN 0.440 nan 8.300 nan 0.000 0.436 57 A N 2.141 125.072 122.820 0.184 0.000 2.407 57 A HA 0.503 4.823 4.320 0.000 0.000 0.248 57 A C 0.487 178.138 177.584 0.111 0.000 1.082 57 A CA -0.267 51.844 52.037 0.123 0.000 0.785 57 A CB 0.078 19.137 19.000 0.098 0.000 1.020 57 A HN 0.818 nan 8.150 nan 0.000 0.489 58 S N 1.316 117.060 115.700 0.074 0.000 2.600 58 S HA 0.163 4.633 4.470 0.000 0.000 0.265 58 S C 1.213 175.843 174.600 0.049 0.000 1.325 58 S CA 0.290 58.521 58.200 0.052 0.000 1.002 58 S CB 0.653 63.873 63.200 0.033 0.000 0.921 58 S HN 0.856 nan 8.310 nan 0.000 0.554 59 R N 1.082 121.604 120.500 0.036 0.000 2.091 59 R HA -0.120 4.220 4.340 0.000 0.000 0.238 59 R C 2.340 178.654 176.300 0.024 0.000 1.136 59 R CA 1.581 57.699 56.100 0.031 0.000 0.959 59 R CB -1.161 29.151 30.300 0.019 0.000 0.856 59 R HN 0.851 nan 8.270 nan 0.000 0.437 60 A N 0.390 123.221 122.820 0.018 0.000 1.883 60 A HA -0.136 4.184 4.320 0.000 0.000 0.217 60 A C 2.298 179.894 177.584 0.019 0.000 1.186 60 A CA 1.794 53.839 52.037 0.013 0.000 0.624 60 A CB -0.697 18.307 19.000 0.007 0.000 0.822 60 A HN 0.247 nan 8.150 nan 0.000 0.444 61 V N 0.129 120.059 119.914 0.026 0.000 2.343 61 V HA -0.254 3.866 4.120 0.000 0.000 0.247 61 V C 2.550 178.670 176.094 0.044 0.000 1.051 61 V CA 2.003 64.323 62.300 0.033 0.000 1.036 61 V CB -0.698 31.148 31.823 0.039 0.000 0.654 61 V HN 0.581 nan 8.190 nan 0.000 0.451 62 L N -0.475 120.778 121.223 0.049 0.000 2.141 62 L HA -0.148 4.192 4.340 0.000 0.000 0.209 62 L C 2.538 179.434 176.870 0.043 0.000 1.094 62 L CA 1.384 56.259 54.840 0.057 0.000 0.763 62 L CB -0.651 41.449 42.059 0.069 0.000 0.908 62 L HN 0.420 nan 8.230 nan 0.000 0.437 63 E N 0.509 120.725 120.200 0.027 0.000 2.072 63 E HA -0.185 4.165 4.350 0.000 0.000 0.191 63 E C 2.350 178.963 176.600 0.022 0.000 0.985 63 E CA 1.124 57.532 56.400 0.012 0.000 0.801 63 E CB -0.127 29.574 29.700 0.001 0.000 0.750 63 E HN 0.496 nan 8.360 nan 0.000 0.452 64 A N 1.445 124.284 122.820 0.032 0.000 1.972 64 A HA -0.142 4.178 4.320 0.000 0.000 0.219 64 A C 2.203 179.833 177.584 0.078 0.000 1.169 64 A CA 0.920 52.983 52.037 0.043 0.000 0.635 64 A CB -0.579 18.444 19.000 0.038 0.000 0.810 64 A HN 0.131 nan 8.150 nan 0.000 0.446 65 L N -0.958 120.319 121.223 0.090 0.000 2.131 65 L HA -0.110 4.230 4.340 0.000 0.000 0.210 65 L C 2.356 179.289 176.870 0.106 0.000 1.092 65 L CA 1.031 55.964 54.840 0.154 0.000 0.759 65 L CB -0.410 41.735 42.059 0.143 0.000 0.903 65 L HN 0.508 nan 8.230 nan 0.000 0.435 66 G N -0.787 108.039 108.800 0.044 0.000 3.314 66 G HA2 0.050 4.010 3.960 0.000 0.000 0.238 66 G HA3 0.050 4.010 3.960 0.000 0.000 0.238 66 G C 0.692 175.583 174.900 -0.015 0.000 1.184 66 G CA 0.254 45.351 45.100 -0.005 0.000 0.806 66 G HN 0.380 nan 8.290 nan 0.000 0.536 67 S N -0.793 114.913 115.700 0.010 0.000 2.641 67 S HA 0.074 4.544 4.470 0.000 0.000 0.261 67 S C 1.851 176.447 174.600 -0.008 0.000 1.257 67 S CA 0.093 58.296 58.200 0.005 0.000 0.983 67 S CB 0.700 63.916 63.200 0.027 0.000 0.990 67 S HN 0.673 nan 8.310 nan 0.000 0.572 68 C N -0.492 118.807 119.300 -0.002 0.000 2.539 68 C HA 0.326 4.786 4.460 0.000 0.000 0.271 68 C C 2.040 177.040 174.990 0.017 0.000 1.412 68 C CA -0.455 58.561 59.018 -0.003 0.000 1.729 68 C CB -2.190 25.550 27.740 0.000 0.000 1.739 68 C HN 0.754 nan 8.230 nan 0.000 0.570 69 L N 1.326 122.573 121.223 0.039 0.000 2.362 69 L HA -0.058 4.282 4.340 0.000 0.000 0.219 69 L C 2.490 179.411 176.870 0.086 0.000 1.134 69 L CA 0.842 55.729 54.840 0.078 0.000 0.807 69 L CB -0.784 41.340 42.059 0.108 0.000 0.927 69 L HN 0.479 nan 8.230 nan 0.000 0.447 70 N N 0.960 119.658 118.700 -0.002 0.000 2.166 70 N HA -0.169 4.571 4.740 0.000 0.000 0.186 70 N C 1.220 176.708 175.510 -0.036 0.000 1.019 70 N CA 1.402 54.375 53.050 -0.128 0.000 0.856 70 N CB -0.237 38.086 38.487 -0.273 0.000 0.993 70 N HN 0.553 nan 8.380 nan 0.000 0.426 71 N N 0.324 119.022 118.700 -0.004 0.000 2.515 71 N HA -0.061 4.679 4.740 0.000 0.000 0.185 71 N C 0.185 175.739 175.510 0.074 0.000 1.109 71 N CA 0.238 53.302 53.050 0.023 0.000 0.903 71 N CB 0.194 38.689 38.487 0.013 0.000 0.969 71 N HN -0.026 nan 8.380 nan 0.000 0.450 72 K N 1.160 121.616 120.400 0.093 0.000 2.267 72 K HA 0.106 4.426 4.320 0.000 0.000 0.282 72 K C -1.652 175.047 176.600 0.164 0.000 1.078 72 K CA -0.508 55.851 56.287 0.120 0.000 0.903 72 K CB -0.196 32.360 32.500 0.095 0.000 1.111 72 K HN 0.053 nan 8.250 nan 0.000 0.475 73 Y N 3.657 123.993 120.300 0.060 0.000 2.454 73 Y HA 0.285 4.835 4.550 0.000 0.000 0.345 73 Y C -0.564 175.400 175.900 0.107 0.000 0.970 73 Y CA -0.020 58.128 58.100 0.079 0.000 1.204 73 Y CB 0.626 39.142 38.460 0.093 0.000 1.122 73 Y HN 0.671 nan 8.280 nan 0.000 0.514 74 S N 6.392 121.963 115.700 -0.215 0.000 2.521 74 S HA 0.746 5.216 4.470 0.000 0.000 0.295 74 S C -1.332 172.938 174.600 -0.551 0.000 1.098 74 S CA -0.911 57.155 58.200 -0.223 0.000 0.999 74 S CB 1.565 64.678 63.200 -0.145 0.000 1.034 74 S HN 0.629 nan 8.310 nan 0.000 0.483 75 L N 2.627 123.471 121.223 -0.632 0.000 2.346 75 L HA 0.839 5.179 4.340 0.000 0.000 0.274 75 L C 0.835 177.115 176.870 -0.983 0.000 1.007 75 L CA 0.013 54.212 54.840 -1.068 0.000 0.818 75 L CB 1.546 42.908 42.059 -1.163 0.000 1.284 75 L HN 1.263 nan 8.230 nan 0.000 0.424 76 G N 1.188 109.133 108.800 -1.424 0.000 2.512 76 G HA2 -0.194 3.766 3.960 0.000 0.000 0.210 76 G HA3 -0.194 3.766 3.960 0.000 0.000 0.210 76 G C -1.530 172.892 174.900 -0.796 0.000 1.295 76 G CA -0.625 44.022 45.100 -0.755 0.000 0.934 76 G HN 0.423 nan 8.290 nan 0.000 0.554 77 Y N -0.210 120.050 120.300 -0.068 0.000 2.598 77 Y HA 0.554 5.104 4.550 0.000 0.000 0.340 77 Y C -1.333 174.549 175.900 -0.030 0.000 1.038 77 Y CA -1.384 56.685 58.100 -0.052 0.000 1.100 77 Y CB 1.811 40.268 38.460 -0.005 0.000 1.281 77 Y HN 0.330 nan 8.280 nan 0.000 0.488 78 P HA -0.229 nan 4.420 nan 0.000 0.218 78 P C 1.346 178.693 177.300 0.079 0.000 1.152 78 P CA 2.598 65.746 63.100 0.079 0.000 0.857 78 P CB 0.082 31.825 31.700 0.071 0.000 0.787 79 G N -0.375 108.490 108.800 0.108 0.000 2.552 79 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 79 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 79 G C 0.504 175.456 174.900 0.087 0.000 1.240 79 G CA 0.651 45.802 45.100 0.085 0.000 0.796 79 G HN 0.322 nan 8.290 nan 0.000 0.568 80 Q N 0.569 120.443 119.800 0.124 0.000 2.347 80 Q HA 0.481 4.821 4.340 0.000 0.000 0.265 80 Q C -0.915 175.166 176.000 0.134 0.000 1.024 80 Q CA -0.811 55.062 55.803 0.117 0.000 0.731 80 Q CB 1.721 30.533 28.738 0.123 0.000 1.245 80 Q HN 0.166 nan 8.270 nan 0.000 0.472 81 R N 1.990 122.544 120.500 0.090 0.000 2.573 81 R HA 0.336 4.676 4.340 0.000 0.000 0.272 81 R C 0.340 176.727 176.300 0.145 0.000 1.009 81 R CA -0.637 55.498 56.100 0.058 0.000 1.059 81 R CB 0.344 30.646 30.300 0.004 0.000 1.112 81 R HN 0.571 nan 8.270 nan 0.000 0.517 82 Y N 0.152 120.320 120.300 -0.220 0.000 2.206 82 Y HA -0.021 4.529 4.550 0.000 0.000 0.292 82 Y C 0.571 176.350 175.900 -0.203 0.000 1.123 82 Y CA 0.955 58.878 58.100 -0.295 0.000 1.142 82 Y CB -0.168 37.931 38.460 -0.601 0.000 1.006 82 Y HN 0.396 nan 8.280 nan 0.000 0.518 83 Y N -1.277 119.139 120.300 0.193 0.000 2.618 83 Y HA 0.631 5.181 4.550 0.000 0.000 0.326 83 Y C 0.961 176.903 175.900 0.070 0.000 1.168 83 Y CA -1.826 56.345 58.100 0.119 0.000 1.269 83 Y CB -0.097 38.437 38.460 0.124 0.000 1.388 83 Y HN -0.148 nan 8.280 nan 0.000 0.528 84 G N -1.601 107.344 108.800 0.241 0.000 2.705 84 G HA2 0.460 4.420 3.960 0.000 0.000 0.299 84 G HA3 0.460 4.420 3.960 0.000 0.000 0.299 84 G C 0.288 175.245 174.900 0.095 0.000 1.315 84 G CA -0.703 44.471 45.100 0.124 0.000 1.045 84 G HN 1.337 nan 8.290 nan 0.000 0.517 85 G N -1.460 107.368 108.800 0.046 0.000 2.212 85 G HA2 -0.081 3.880 3.960 0.000 0.000 0.255 85 G HA3 -0.081 3.880 3.960 0.000 0.000 0.255 85 G C 0.693 175.598 174.900 0.009 0.000 1.062 85 G CA 1.308 46.421 45.100 0.022 0.000 0.815 85 G HN 1.788 nan 8.290 nan 0.000 0.497 86 T N -3.130 111.419 114.554 -0.008 0.000 3.215 86 T HA 0.449 4.799 4.350 0.000 0.000 0.271 86 T C 1.262 175.920 174.700 -0.071 0.000 1.012 86 T CA 0.830 62.920 62.100 -0.017 0.000 0.899 86 T CB 0.751 69.620 68.868 0.000 0.000 1.089 86 T HN 0.470 nan 8.240 nan 0.000 0.552 87 E N 1.262 121.359 120.200 -0.171 0.000 2.070 87 E HA -0.284 4.066 4.350 0.000 0.000 0.197 87 E C 1.578 178.035 176.600 -0.239 0.000 1.004 87 E CA 1.673 57.917 56.400 -0.260 0.000 0.805 87 E CB -0.088 29.351 29.700 -0.436 0.000 0.744 87 E HN 0.700 nan 8.360 nan 0.000 0.451 88 H N -0.374 118.709 119.070 0.021 0.000 2.448 88 H HA -0.019 4.537 4.556 0.000 0.000 0.292 88 H C 2.220 177.558 175.328 0.017 0.000 1.035 88 H CA 0.687 56.746 56.048 0.019 0.000 1.349 88 H CB 0.050 29.823 29.762 0.019 0.000 1.425 88 H HN 0.247 nan 8.280 nan 0.000 0.539 89 I N 1.443 122.070 120.570 0.095 0.000 2.361 89 I HA -0.186 3.984 4.170 0.000 0.000 0.251 89 I C 1.639 177.776 176.117 0.035 0.000 1.133 89 I CA 0.977 62.312 61.300 0.058 0.000 1.413 89 I CB -0.662 37.357 38.000 0.030 0.000 1.073 89 I HN 0.122 nan 8.210 nan 0.000 0.424 90 D N 0.799 121.212 120.400 0.022 0.000 2.117 90 D HA -0.150 4.490 4.640 0.000 0.000 0.198 90 D C 2.071 178.390 176.300 0.031 0.000 0.982 90 D CA 0.964 54.976 54.000 0.020 0.000 0.828 90 D CB -0.056 40.749 40.800 0.009 0.000 0.967 90 D HN 0.451 nan 8.370 nan 0.000 0.464 91 E N 0.326 120.554 120.200 0.046 0.000 2.077 91 E HA -0.165 4.185 4.350 0.000 0.000 0.193 91 E C 2.099 178.726 176.600 0.045 0.000 0.989 91 E CA 0.396 56.829 56.400 0.054 0.000 0.800 91 E CB -0.065 29.689 29.700 0.090 0.000 0.746 91 E HN 0.104 nan 8.360 nan 0.000 0.452 92 L N 1.532 122.785 121.223 0.051 0.000 1.976 92 L HA -0.200 4.140 4.340 0.000 0.000 0.209 92 L C 2.300 179.184 176.870 0.023 0.000 1.071 92 L CA 1.979 56.841 54.840 0.037 0.000 0.746 92 L CB -0.363 41.722 42.059 0.042 0.000 0.890 92 L HN 0.043 nan 8.230 nan 0.000 0.432 93 E N -1.435 118.778 120.200 0.022 0.000 2.077 93 E HA -0.224 4.126 4.350 0.000 0.000 0.193 93 E C 1.919 178.528 176.600 0.016 0.000 0.989 93 E CA 1.772 58.182 56.400 0.016 0.000 0.800 93 E CB -0.064 29.649 29.700 0.022 0.000 0.746 93 E HN 0.582 nan 8.360 nan 0.000 0.452 94 T N 1.400 115.966 114.554 0.021 0.000 2.684 94 T HA -0.187 4.163 4.350 0.000 0.000 0.267 94 T C 1.781 176.487 174.700 0.009 0.000 1.036 94 T CA 1.244 63.355 62.100 0.017 0.000 1.148 94 T CB -0.303 68.578 68.868 0.022 0.000 0.863 94 T HN 0.132 nan 8.240 nan 0.000 0.436 95 L N 0.808 122.038 121.223 0.011 0.000 2.042 95 L HA -0.056 4.284 4.340 0.000 0.000 0.210 95 L C 2.668 179.537 176.870 -0.002 0.000 1.076 95 L CA 1.585 56.429 54.840 0.006 0.000 0.749 95 L CB -1.074 40.991 42.059 0.009 0.000 0.893 95 L HN 0.386 nan 8.230 nan 0.000 0.432 96 C N -0.310 118.988 119.300 -0.003 0.000 2.413 96 C HA -0.188 4.272 4.460 0.000 0.000 0.276 96 C C 2.763 177.740 174.990 -0.022 0.000 1.248 96 C CA 1.389 60.400 59.018 -0.011 0.000 1.742 96 C CB -0.860 26.872 27.740 -0.013 0.000 2.017 96 C HN 0.706 nan 8.230 nan 0.000 0.481 97 Q N 0.112 119.896 119.800 -0.026 0.000 2.079 97 Q HA -0.210 4.130 4.340 0.000 0.000 0.200 97 Q C 2.319 178.304 176.000 -0.024 0.000 0.974 97 Q CA 1.636 57.412 55.803 -0.045 0.000 0.840 97 Q CB -0.276 28.439 28.738 -0.038 0.000 0.898 97 Q HN 0.689 nan 8.270 nan 0.000 0.430 98 K N 1.111 121.505 120.400 -0.011 0.000 2.057 98 K HA -0.146 4.174 4.320 0.000 0.000 0.207 98 K C 2.023 178.620 176.600 -0.005 0.000 1.049 98 K CA 1.088 57.372 56.287 -0.005 0.000 0.931 98 K CB 0.104 32.602 32.500 -0.003 0.000 0.714 98 K HN 0.064 nan 8.250 nan 0.000 0.440 99 R N -0.199 120.297 120.500 -0.007 0.000 2.115 99 R HA -0.042 4.298 4.340 0.000 0.000 0.230 99 R C 2.337 178.646 176.300 0.015 0.000 1.111 99 R CA 0.969 57.061 56.100 -0.013 0.000 0.976 99 R CB -0.197 30.090 30.300 -0.022 0.000 0.870 99 R HN 0.223 nan 8.270 nan 0.000 0.445 100 A N 1.308 124.159 122.820 0.052 0.000 1.898 100 A HA -0.099 4.221 4.320 0.000 0.000 0.216 100 A C 2.145 179.892 177.584 0.271 0.000 1.181 100 A CA 1.033 53.180 52.037 0.184 0.000 0.620 100 A CB -0.439 18.606 19.000 0.076 0.000 0.819 100 A HN 0.149 nan 8.150 nan 0.000 0.442 101 L N -0.976 120.327 121.223 0.133 0.000 2.056 101 L HA -0.220 4.120 4.340 0.000 0.000 0.207 101 L C 2.904 179.754 176.870 -0.033 0.000 1.078 101 L CA 1.787 56.663 54.840 0.060 0.000 0.749 101 L CB -0.608 41.466 42.059 0.025 0.000 0.901 101 L HN 0.602 nan 8.230 nan 0.000 0.433 102 Q N 0.365 120.148 119.800 -0.028 0.000 2.020 102 Q HA -0.237 4.104 4.340 0.000 0.000 0.202 102 Q C 2.320 178.247 176.000 -0.122 0.000 0.982 102 Q CA 1.983 57.745 55.803 -0.068 0.000 0.838 102 Q CB -0.141 28.566 28.738 -0.052 0.000 0.899 102 Q HN 0.476 nan 8.270 nan 0.000 0.423 103 A N -0.310 122.429 122.820 -0.134 0.000 1.986 103 A HA -0.197 4.123 4.320 0.000 0.000 0.220 103 A C 1.195 178.480 177.584 -0.498 0.000 1.171 103 A CA 1.486 53.348 52.037 -0.291 0.000 0.640 103 A CB -0.694 18.121 19.000 -0.308 0.000 0.811 103 A HN 0.623 nan 8.150 nan 0.000 0.451 104 Y N -0.888 119.220 120.300 -0.320 0.000 2.524 104 Y HA 0.385 4.935 4.550 0.000 0.000 0.266 104 Y C 1.600 177.201 175.900 -0.497 0.000 1.180 104 Y CA 0.004 57.793 58.100 -0.517 0.000 1.244 104 Y CB -0.030 37.805 38.460 -1.041 0.000 1.125 104 Y HN 0.409 nan 8.280 nan 0.000 0.524 105 G N 1.416 110.070 108.800 -0.243 0.000 2.295 105 G HA2 -0.288 3.672 3.960 0.000 0.000 0.287 105 G HA3 -0.288 3.672 3.960 0.000 0.000 0.287 105 G C -0.345 174.428 174.900 -0.211 0.000 1.055 105 G CA 0.041 45.028 45.100 -0.188 0.000 0.922 105 G HN 0.314 nan 8.290 nan 0.000 0.503 106 L N 0.046 121.122 121.223 -0.246 0.000 2.309 106 L HA 0.452 4.792 4.340 0.000 0.000 0.282 106 L C 0.198 177.054 176.870 -0.023 0.000 1.036 106 L CA -1.124 53.589 54.840 -0.212 0.000 0.806 106 L CB 1.516 43.311 42.059 -0.439 0.000 1.220 106 L HN 0.123 nan 8.230 nan 0.000 0.429 107 D N 5.374 125.821 120.400 0.080 0.000 2.339 107 D HA 0.099 4.739 4.640 0.000 0.000 0.256 107 D C -1.534 174.836 176.300 0.115 0.000 1.214 107 D CA -1.744 52.307 54.000 0.084 0.000 0.877 107 D CB 1.693 42.547 40.800 0.089 0.000 1.111 107 D HN 0.283 nan 8.370 nan 0.000 0.478 108 P HA -0.147 nan 4.420 nan 0.000 0.229 108 P C 0.717 178.054 177.300 0.060 0.000 1.150 108 P CA 0.954 64.094 63.100 0.066 0.000 0.765 108 P CB 0.385 32.108 31.700 0.037 0.000 0.783 109 Q N -1.605 118.230 119.800 0.058 0.000 2.398 109 Q HA 0.031 4.371 4.340 0.000 0.000 0.204 109 Q C 1.553 177.571 176.000 0.030 0.000 0.932 109 Q CA 0.784 56.613 55.803 0.043 0.000 0.916 109 Q CB 0.012 28.773 28.738 0.038 0.000 1.024 109 Q HN 0.313 nan 8.270 nan 0.000 0.504 110 C N -1.648 117.674 119.300 0.036 0.000 3.188 110 C HA 0.238 4.698 4.460 0.000 0.000 0.315 110 C C -0.088 174.720 174.990 -0.302 0.000 1.285 110 C CA -0.711 58.261 59.018 -0.077 0.000 1.729 110 C CB -0.200 27.539 27.740 -0.001 0.000 2.257 110 C HN 0.398 nan 8.230 nan 0.000 0.645 111 W N 0.220 121.488 121.300 -0.053 0.000 3.032 111 W HA 0.589 5.249 4.660 0.000 0.000 0.335 111 W C 0.138 176.534 176.519 -0.205 0.000 1.154 111 W CA -0.121 57.151 57.345 -0.120 0.000 1.204 111 W CB 1.119 30.523 29.460 -0.093 0.000 1.416 111 W HN 0.137 nan 8.180 nan 0.000 0.521 112 G N 0.388 109.035 108.800 -0.255 0.000 2.658 112 G HA2 0.810 4.770 3.960 0.000 0.000 0.292 112 G HA3 0.810 4.770 3.960 0.000 0.000 0.292 112 G C -2.029 172.320 174.900 -0.918 0.000 1.320 112 G CA -0.895 43.884 45.100 -0.536 0.000 0.933 112 G HN 0.350 nan 8.290 nan 0.000 0.476 113 V N 0.710 120.307 119.914 -0.528 0.000 2.851 113 V HA 0.453 4.574 4.120 0.000 0.000 0.307 113 V C -1.102 174.911 176.094 -0.136 0.000 1.129 113 V CA -1.221 60.814 62.300 -0.441 0.000 0.932 113 V CB 2.125 33.598 31.823 -0.584 0.000 1.024 113 V HN 0.758 nan 8.190 nan 0.000 0.426 114 N N 2.469 121.132 118.700 -0.061 0.000 2.417 114 N HA 0.385 5.125 4.740 0.000 0.000 0.274 114 N C 0.088 175.545 175.510 -0.087 0.000 0.987 114 N CA -0.251 52.796 53.050 -0.006 0.000 0.912 114 N CB 2.210 40.730 38.487 0.056 0.000 1.177 114 N HN 0.659 nan 8.380 nan 0.000 0.490 115 V N 1.326 121.207 119.914 -0.054 0.000 3.271 115 V HA 0.263 4.383 4.120 0.000 0.000 0.327 115 V C 1.108 177.171 176.094 -0.053 0.000 1.389 115 V CA 0.146 62.402 62.300 -0.074 0.000 1.156 115 V CB -0.057 31.724 31.823 -0.069 0.000 1.103 115 V HN 0.565 nan 8.190 nan 0.000 0.453 116 Q N 0.461 120.232 119.800 -0.049 0.000 2.376 116 Q HA 0.211 4.551 4.340 0.000 0.000 0.206 116 Q C -1.644 174.214 176.000 -0.237 0.000 0.921 116 Q CA -0.648 55.082 55.803 -0.121 0.000 0.911 116 Q CB -0.646 28.014 28.738 -0.131 0.000 1.032 116 Q HN 0.545 nan 8.270 nan 0.000 0.510 117 P HA -0.148 nan 4.420 nan 0.000 0.261 117 P C -0.413 176.786 177.300 -0.167 0.000 1.173 117 P CA 0.707 63.665 63.100 -0.237 0.000 0.760 117 P CB 0.225 31.861 31.700 -0.106 0.000 0.783 118 Y N 0.816 121.046 120.300 -0.117 0.000 2.352 118 Y HA 0.048 4.598 4.550 0.000 0.000 0.292 118 Y C 1.633 177.508 175.900 -0.042 0.000 1.136 118 Y CA 0.900 58.910 58.100 -0.150 0.000 1.227 118 Y CB -0.123 38.220 38.460 -0.195 0.000 0.991 118 Y HN 0.302 nan 8.280 nan 0.000 0.545 119 S N -2.719 113.060 115.700 0.132 0.000 2.724 119 S HA 0.496 4.966 4.470 0.000 0.000 0.278 119 S C 1.119 175.779 174.600 0.099 0.000 1.190 119 S CA -0.260 58.018 58.200 0.130 0.000 0.860 119 S CB 0.407 63.690 63.200 0.139 0.000 1.206 119 S HN 0.174 nan 8.310 nan 0.000 0.507 120 G N 1.241 110.111 108.800 0.116 0.000 2.404 120 G HA2 -0.073 3.887 3.960 0.000 0.000 0.215 120 G HA3 -0.073 3.887 3.960 0.000 0.000 0.215 120 G C 1.402 176.346 174.900 0.072 0.000 1.174 120 G CA 1.386 46.524 45.100 0.063 0.000 0.780 120 G HN 0.612 nan 8.290 nan 0.000 0.537 121 S N 1.761 117.531 115.700 0.116 0.000 2.359 121 S HA -0.075 4.395 4.470 0.000 0.000 0.224 121 S C 0.104 174.790 174.600 0.143 0.000 1.035 121 S CA 1.605 59.903 58.200 0.164 0.000 1.018 121 S CB -0.890 62.422 63.200 0.188 0.000 0.876 121 S HN 0.308 nan 8.310 nan 0.000 0.448 122 P HA 0.043 nan 4.420 nan 0.000 0.218 122 P C 1.383 178.713 177.300 0.051 0.000 1.149 122 P CA 1.220 64.373 63.100 0.087 0.000 0.817 122 P CB -0.089 31.641 31.700 0.051 0.000 0.785 123 A N -0.150 122.678 122.820 0.012 0.000 1.898 123 A HA -0.214 4.106 4.320 0.000 0.000 0.216 123 A C 2.120 179.645 177.584 -0.099 0.000 1.181 123 A CA 1.822 53.839 52.037 -0.034 0.000 0.620 123 A CB -1.387 17.602 19.000 -0.019 0.000 0.819 123 A HN 0.116 nan 8.150 nan 0.000 0.442 124 N N -0.903 117.729 118.700 -0.113 0.000 2.084 124 N HA -0.119 4.621 4.740 0.000 0.000 0.190 124 N C 1.419 176.436 175.510 -0.822 0.000 1.030 124 N CA 1.384 54.201 53.050 -0.388 0.000 0.849 124 N CB -0.668 37.727 38.487 -0.154 0.000 1.012 124 N HN 0.484 nan 8.380 nan 0.000 0.423 125 F N 1.695 121.380 119.950 -0.441 0.000 2.161 125 F HA -0.122 4.405 4.527 0.000 0.000 0.300 125 F C 2.193 177.892 175.800 -0.167 0.000 1.089 125 F CA 1.225 59.093 58.000 -0.219 0.000 1.282 125 F CB -0.290 38.748 39.000 0.064 0.000 1.010 125 F HN 0.045 nan 8.300 nan 0.000 0.485 126 A N -0.698 122.097 122.820 -0.042 0.000 1.933 126 A HA -0.113 4.207 4.320 0.000 0.000 0.218 126 A C 2.297 179.783 177.584 -0.163 0.000 1.175 126 A CA 1.761 53.763 52.037 -0.059 0.000 0.628 126 A CB -1.247 17.735 19.000 -0.031 0.000 0.814 126 A HN 0.235 nan 8.150 nan 0.000 0.444 127 V N -0.951 118.804 119.914 -0.265 0.000 2.358 127 V HA -0.245 3.875 4.120 0.000 0.000 0.246 127 V C 2.420 178.403 176.094 -0.184 0.000 1.047 127 V CA 1.782 63.945 62.300 -0.228 0.000 1.035 127 V CB -1.053 30.636 31.823 -0.223 0.000 0.658 127 V HN 0.648 nan 8.190 nan 0.000 0.452 128 Y N 0.932 121.049 120.300 -0.306 0.000 2.145 128 Y HA -0.191 4.359 4.550 0.000 0.000 0.286 128 Y C 2.843 178.525 175.900 -0.364 0.000 1.145 128 Y CA 1.350 59.104 58.100 -0.576 0.000 1.148 128 Y CB -1.876 35.874 38.460 -1.183 0.000 0.981 128 Y HN 0.215 nan 8.280 nan 0.000 0.507 129 T N 0.155 114.666 114.554 -0.071 0.000 2.759 129 T HA -0.183 4.167 4.350 0.000 0.000 0.269 129 T C 2.186 176.902 174.700 0.027 0.000 1.042 129 T CA 1.494 63.631 62.100 0.061 0.000 1.140 129 T CB -0.535 68.318 68.868 -0.026 0.000 0.864 129 T HN 0.436 nan 8.240 nan 0.000 0.455 130 A N 0.875 123.672 122.820 -0.039 0.000 1.874 130 A HA 0.200 4.520 4.320 0.000 0.000 0.214 130 A C 2.141 179.698 177.584 -0.046 0.000 1.189 130 A CA 0.861 52.865 52.037 -0.055 0.000 0.615 130 A CB -0.408 18.529 19.000 -0.106 0.000 0.830 130 A HN 0.480 nan 8.150 nan 0.000 0.443 131 L N -1.038 120.148 121.223 -0.061 0.000 2.513 131 L HA 0.085 4.426 4.340 0.000 0.000 0.222 131 L C 1.824 178.744 176.870 0.083 0.000 1.096 131 L CA 0.171 54.990 54.840 -0.034 0.000 0.857 131 L CB 0.128 42.062 42.059 -0.208 0.000 1.026 131 L HN 0.191 nan 8.230 nan 0.000 0.469 132 V N -1.166 118.789 119.914 0.068 0.000 2.788 132 V HA 0.127 4.247 4.120 0.000 0.000 0.241 132 V C 0.206 176.426 176.094 0.209 0.000 1.083 132 V CA 0.070 62.435 62.300 0.109 0.000 1.103 132 V CB 0.013 31.811 31.823 -0.041 0.000 0.800 132 V HN 0.438 nan 8.190 nan 0.000 0.476 133 E N -1.016 119.361 120.200 0.295 0.000 8.699 133 E HA -0.134 4.216 4.350 0.000 0.000 0.471 133 E C -2.748 174.000 176.600 0.246 0.000 1.169 133 E CA -0.255 56.286 56.400 0.236 0.000 2.050 133 E CB -1.142 28.635 29.700 0.128 0.000 1.006 133 E HN 0.282 nan 8.360 nan 0.000 0.262 134 P HA -0.123 nan 4.420 nan 0.000 0.260 134 P C -0.296 176.954 177.300 -0.084 0.000 1.172 134 P CA 0.909 63.846 63.100 -0.271 0.000 0.760 134 P CB 0.180 31.760 31.700 -0.201 0.000 0.773 135 H N -0.949 118.109 119.070 -0.019 0.000 3.395 135 H HA -0.151 4.405 4.556 0.000 0.000 0.222 135 H C 0.979 176.387 175.328 0.132 0.000 1.099 135 H CA 1.179 57.268 56.048 0.068 0.000 1.182 135 H CB -1.953 27.826 29.762 0.029 0.000 1.188 135 H HN 0.628 nan 8.280 nan 0.000 0.317 136 G N 0.818 109.799 108.800 0.302 0.000 2.527 136 G HA2 0.359 4.320 3.960 0.000 0.000 0.248 136 G HA3 0.359 4.320 3.960 0.000 0.000 0.248 136 G C 0.337 175.348 174.900 0.185 0.000 1.231 136 G CA -0.614 44.616 45.100 0.217 0.000 0.838 136 G HN 0.180 nan 8.290 nan 0.000 0.570 137 R N 0.144 120.679 120.500 0.057 0.000 2.308 137 R HA 0.439 4.779 4.340 0.000 0.000 0.305 137 R C -0.413 175.974 176.300 0.145 0.000 1.053 137 R CA -0.132 55.993 56.100 0.041 0.000 0.957 137 R CB 1.130 31.188 30.300 -0.404 0.000 1.022 137 R HN 0.359 nan 8.270 nan 0.000 0.461 138 I N 3.367 124.095 120.570 0.265 0.000 2.582 138 I HA 0.359 4.529 4.170 0.000 0.000 0.292 138 I C -0.319 175.918 176.117 0.201 0.000 1.066 138 I CA -0.635 60.740 61.300 0.126 0.000 1.053 138 I CB 2.169 40.069 38.000 -0.167 0.000 1.241 138 I HN 0.380 nan 8.210 nan 0.000 0.421 139 M N 4.393 124.092 119.600 0.164 0.000 2.311 139 M HA 0.646 5.126 4.480 0.000 0.000 0.325 139 M C -0.158 176.222 176.300 0.134 0.000 1.061 139 M CA -0.414 54.970 55.300 0.139 0.000 0.957 139 M CB 2.251 34.981 32.600 0.217 0.000 1.646 139 M HN 0.752 nan 8.290 nan 0.000 0.434 140 G N 1.960 110.747 108.800 -0.021 0.000 2.672 140 G HA2 0.601 4.561 3.960 0.000 0.000 0.292 140 G HA3 0.601 4.561 3.960 0.000 0.000 0.292 140 G C -1.948 172.488 174.900 -0.774 0.000 1.375 140 G CA -0.812 44.156 45.100 -0.219 0.000 0.890 140 G HN 0.589 nan 8.290 nan 0.000 0.476 141 L N 0.974 121.611 121.223 -0.977 0.000 2.540 141 L HA 0.254 4.594 4.340 0.000 0.000 0.276 141 L C 0.337 176.950 176.870 -0.428 0.000 1.212 141 L CA -0.392 53.861 54.840 -0.978 0.000 0.893 141 L CB 0.426 42.165 42.059 -0.534 0.000 1.138 141 L HN 0.516 nan 8.230 nan 0.000 0.491 142 D N 2.969 123.151 120.400 -0.363 0.000 2.488 142 D HA -0.044 4.596 4.640 0.000 0.000 0.238 142 D C 1.136 177.360 176.300 -0.127 0.000 1.138 142 D CA 0.067 53.962 54.000 -0.175 0.000 0.873 142 D CB 0.817 41.540 40.800 -0.128 0.000 1.183 142 D HN 0.555 nan 8.370 nan 0.000 0.458 143 L N 5.889 127.058 121.223 -0.090 0.000 1.990 143 L HA -0.111 4.229 4.340 0.000 0.000 0.213 143 L C -0.613 176.182 176.870 -0.124 0.000 1.072 143 L CA 1.743 56.498 54.840 -0.143 0.000 0.755 143 L CB -1.271 40.631 42.059 -0.263 0.000 0.889 143 L HN 0.637 nan 8.230 nan 0.000 0.432 144 P HA -0.102 nan 4.420 nan 0.000 0.230 144 P C 0.130 177.396 177.300 -0.058 0.000 1.158 144 P CA 1.155 64.216 63.100 -0.066 0.000 0.769 144 P CB 0.057 31.735 31.700 -0.036 0.000 0.807 145 D N -0.914 119.445 120.400 -0.070 0.000 2.363 145 D HA 0.240 4.880 4.640 0.000 0.000 0.214 145 D C 1.478 177.741 176.300 -0.061 0.000 1.093 145 D CA 0.487 54.450 54.000 -0.061 0.000 0.837 145 D CB 0.029 40.779 40.800 -0.083 0.000 0.948 145 D HN 0.180 nan 8.370 nan 0.000 0.507 146 G N -0.210 108.549 108.800 -0.069 0.000 2.154 146 G HA2 -0.111 3.849 3.960 0.000 0.000 0.186 146 G HA3 -0.111 3.849 3.960 0.000 0.000 0.186 146 G C 0.715 175.579 174.900 -0.060 0.000 1.000 146 G CA -0.264 44.804 45.100 -0.052 0.000 0.664 146 G HN 0.530 nan 8.290 nan 0.000 0.513 147 G N -0.874 107.878 108.800 -0.080 0.000 2.547 147 G HA2 0.568 4.529 3.960 0.000 0.000 0.291 147 G HA3 0.568 4.529 3.960 0.000 0.000 0.291 147 G C -0.426 174.440 174.900 -0.056 0.000 1.211 147 G CA -0.101 44.984 45.100 -0.025 0.000 0.950 147 G HN 0.659 nan 8.290 nan 0.000 0.504 148 H N -0.595 118.318 119.070 -0.261 0.000 2.533 148 H HA 0.401 4.957 4.556 0.000 0.000 0.343 148 H C 1.494 176.642 175.328 -0.301 0.000 1.160 148 H CA -0.827 54.985 56.048 -0.394 0.000 1.218 148 H CB 1.340 30.715 29.762 -0.645 0.000 1.566 148 H HN 0.213 nan 8.280 nan 0.000 0.522 149 L N 1.483 122.144 121.223 -0.937 0.000 2.021 149 L HA -0.244 4.096 4.340 0.000 0.000 0.215 149 L C 2.190 178.989 176.870 -0.120 0.000 1.074 149 L CA 2.157 56.711 54.840 -0.477 0.000 0.760 149 L CB -0.685 41.088 42.059 -0.477 0.000 0.889 149 L HN 0.854 nan 8.230 nan 0.000 0.433 150 T N -4.835 109.704 114.554 -0.025 0.000 3.155 150 T HA -0.172 4.178 4.350 0.000 0.000 0.264 150 T C 1.184 176.193 174.700 0.515 0.000 1.160 150 T CA 0.954 63.274 62.100 0.368 0.000 1.075 150 T CB -0.661 68.513 68.868 0.510 0.000 0.921 150 T HN 0.535 nan 8.240 nan 0.000 0.533 151 H N 0.697 119.912 119.070 0.241 0.000 2.551 151 H HA 0.477 5.033 4.556 0.000 0.000 0.271 151 H C 1.079 176.438 175.328 0.053 0.000 0.984 151 H CA -0.394 55.741 56.048 0.145 0.000 1.164 151 H CB 0.417 30.235 29.762 0.094 0.000 1.437 151 H HN 0.604 nan 8.280 nan 0.000 0.550 152 G N 1.153 110.079 108.800 0.210 0.000 2.931 152 G HA2 0.031 3.991 3.960 0.000 0.000 0.675 152 G HA3 0.031 3.991 3.960 0.000 0.000 0.675 152 G C -1.745 173.291 174.900 0.226 0.000 1.339 152 G CA -0.970 44.230 45.100 0.166 0.000 0.866 152 G HN 0.139 nan 8.290 nan 0.000 0.616 153 F N 4.470 124.428 119.950 0.014 0.000 2.722 153 F HA 0.793 5.320 4.527 0.000 0.000 0.336 153 F C -0.429 175.368 175.800 -0.005 0.000 1.216 153 F CA -0.997 56.994 58.000 -0.014 0.000 1.065 153 F CB 1.442 40.423 39.000 -0.033 0.000 1.325 153 F HN 0.963 nan 8.300 nan 0.000 0.524 154 M N 3.945 123.286 119.600 -0.430 0.000 2.578 154 M HA 0.774 5.255 4.480 0.000 0.000 0.276 154 M C -1.291 174.780 176.300 -0.381 0.000 1.245 154 M CA -0.604 54.431 55.300 -0.443 0.000 0.871 154 M CB 2.316 34.808 32.600 -0.180 0.000 1.722 154 M HN 0.491 nan 8.290 nan 0.000 0.473 155 T N -3.399 110.971 114.554 -0.307 0.000 2.804 155 T HA 0.432 4.782 4.350 0.000 0.000 0.272 155 T C 0.470 175.102 174.700 -0.113 0.000 0.986 155 T CA 0.024 62.013 62.100 -0.185 0.000 0.999 155 T CB 0.961 69.727 68.868 -0.170 0.000 1.307 155 T HN 0.801 nan 8.240 nan 0.000 0.586 156 D N -0.318 120.038 120.400 -0.074 0.000 2.312 156 D HA -0.047 4.593 4.640 0.000 0.000 0.211 156 D C 1.216 177.486 176.300 -0.049 0.000 0.964 156 D CA 0.735 54.705 54.000 -0.050 0.000 0.877 156 D CB 0.066 40.846 40.800 -0.034 0.000 0.924 156 D HN 0.613 nan 8.370 nan 0.000 0.515 157 K N -0.566 119.797 120.400 -0.061 0.000 2.399 157 K HA 0.165 4.485 4.320 0.000 0.000 0.196 157 K C 0.727 177.287 176.600 -0.066 0.000 1.103 157 K CA -0.062 56.193 56.287 -0.054 0.000 0.986 157 K CB 1.379 33.853 32.500 -0.043 0.000 0.952 157 K HN -0.063 nan 8.250 nan 0.000 0.541 158 K N 1.257 121.599 120.400 -0.098 0.000 2.527 158 K HA 0.262 4.583 4.320 0.000 0.000 0.260 158 K C -1.628 174.876 176.600 -0.159 0.000 0.937 158 K CA -0.621 55.600 56.287 -0.111 0.000 0.826 158 K CB 1.869 34.307 32.500 -0.102 0.000 1.359 158 K HN -0.228 nan 8.250 nan 0.000 0.434 159 K N 3.757 124.075 120.400 -0.135 0.000 2.281 159 K HA 0.247 4.567 4.320 0.000 0.000 0.272 159 K C 0.343 176.859 176.600 -0.141 0.000 1.048 159 K CA -0.336 55.864 56.287 -0.145 0.000 0.898 159 K CB 1.022 33.462 32.500 -0.100 0.000 1.128 159 K HN 0.396 nan 8.250 nan 0.000 0.460 160 I N 0.725 121.180 120.570 -0.192 0.000 2.512 160 I HA -0.090 4.080 4.170 0.000 0.000 0.247 160 I C 1.192 177.345 176.117 0.061 0.000 1.094 160 I CA 0.721 61.973 61.300 -0.079 0.000 1.427 160 I CB -0.045 37.886 38.000 -0.116 0.000 1.149 160 I HN 0.449 nan 8.210 nan 0.000 0.438 161 S N 0.780 116.560 115.700 0.134 0.000 2.576 161 S HA 0.360 4.830 4.470 0.000 0.000 0.276 161 S C 1.446 176.161 174.600 0.190 0.000 1.339 161 S CA -0.010 58.310 58.200 0.200 0.000 1.039 161 S CB 1.075 64.431 63.200 0.260 0.000 0.902 161 S HN 0.307 nan 8.310 nan 0.000 0.516 162 A N 4.059 127.032 122.820 0.256 0.000 2.019 162 A HA -0.012 4.308 4.320 0.000 0.000 0.219 162 A C 2.167 180.140 177.584 0.648 0.000 1.164 162 A CA 2.112 54.375 52.037 0.378 0.000 0.644 162 A CB -1.392 17.816 19.000 0.348 0.000 0.805 162 A HN 0.882 nan 8.150 nan 0.000 0.449 163 T N -0.225 114.697 114.554 0.613 0.000 2.746 163 T HA -0.093 4.258 4.350 0.000 0.000 0.267 163 T C 2.140 177.106 174.700 0.444 0.000 1.039 163 T CA 1.773 64.250 62.100 0.628 0.000 1.142 163 T CB -0.217 68.892 68.868 0.401 0.000 0.866 163 T HN 0.469 nan 8.240 nan 0.000 0.444 164 S N 0.481 116.338 115.700 0.262 0.000 2.461 164 S HA 0.190 4.660 4.470 0.000 0.000 0.228 164 S C 1.920 176.554 174.600 0.056 0.000 1.005 164 S CA 0.335 58.622 58.200 0.145 0.000 0.942 164 S CB -0.216 63.024 63.200 0.068 0.000 0.776 164 S HN 0.416 nan 8.310 nan 0.000 0.514 165 I N -0.257 120.298 120.570 -0.025 0.000 2.333 165 I HA -0.041 4.129 4.170 0.000 0.000 0.246 165 I C 1.201 177.038 176.117 -0.467 0.000 1.106 165 I CA 1.202 62.320 61.300 -0.303 0.000 1.411 165 I CB -0.095 37.581 38.000 -0.540 0.000 1.082 165 I HN 0.242 nan 8.210 nan 0.000 0.420 166 F N -0.427 119.492 119.950 -0.052 0.000 2.746 166 F HA 0.244 4.771 4.527 0.000 0.000 0.297 166 F C 0.421 175.715 175.800 -0.842 0.000 1.113 166 F CA 0.032 57.764 58.000 -0.446 0.000 1.367 166 F CB 0.009 38.736 39.000 -0.456 0.000 1.111 166 F HN -0.188 nan 8.300 nan 0.000 0.590 167 F N -0.769 119.233 119.950 0.087 0.000 2.664 167 F HA 0.482 5.009 4.527 0.000 0.000 0.329 167 F C -0.027 175.827 175.800 0.090 0.000 1.090 167 F CA -1.380 56.646 58.000 0.044 0.000 0.978 167 F CB 0.811 39.812 39.000 0.000 0.000 1.378 167 F HN -0.442 nan 8.300 nan 0.000 0.495 168 E N 1.399 121.801 120.200 0.337 0.000 2.073 168 E HA 0.305 4.655 4.350 0.000 0.000 0.269 168 E C -0.877 175.945 176.600 0.370 0.000 0.917 168 E CA -0.330 56.252 56.400 0.304 0.000 0.757 168 E CB 1.420 31.284 29.700 0.273 0.000 1.111 168 E HN 0.569 nan 8.360 nan 0.000 0.410 169 S N 2.659 118.517 115.700 0.263 0.000 2.593 169 S HA 0.777 5.247 4.470 0.000 0.000 0.297 169 S C 0.021 174.625 174.600 0.006 0.000 1.112 169 S CA -0.866 57.434 58.200 0.166 0.000 1.043 169 S CB 1.880 65.131 63.200 0.085 0.000 1.054 169 S HN 0.492 nan 8.310 nan 0.000 0.516 170 M N 2.346 121.810 119.600 -0.227 0.000 2.322 170 M HA 0.624 5.104 4.480 0.000 0.000 0.286 170 M C -0.957 175.169 176.300 -0.290 0.000 1.111 170 M CA -0.502 54.530 55.300 -0.447 0.000 0.941 170 M CB 1.923 33.817 32.600 -1.177 0.000 1.671 170 M HN 1.030 nan 8.290 nan 0.000 0.470 171 A N 3.099 125.802 122.820 -0.195 0.000 2.257 171 A HA 0.785 5.106 4.320 0.000 0.000 0.289 171 A C -1.502 176.020 177.584 -0.103 0.000 1.095 171 A CA -0.321 51.610 52.037 -0.177 0.000 0.836 171 A CB 0.471 19.373 19.000 -0.163 0.000 1.111 171 A HN 0.865 nan 8.150 nan 0.000 0.497 172 Y N -1.552 118.679 120.300 -0.115 0.000 2.524 172 Y HA 0.782 5.332 4.550 0.000 0.000 0.344 172 Y C -0.325 175.503 175.900 -0.119 0.000 1.012 172 Y CA -1.207 56.820 58.100 -0.121 0.000 1.068 172 Y CB 1.211 39.594 38.460 -0.128 0.000 1.249 172 Y HN 0.614 nan 8.280 nan 0.000 0.468 173 K N 1.469 121.918 120.400 0.082 0.000 2.280 173 K HA 0.731 5.051 4.320 0.000 0.000 0.234 173 K C -0.823 175.783 176.600 0.010 0.000 1.028 173 K CA -1.236 55.050 56.287 -0.001 0.000 0.882 173 K CB 2.426 34.918 32.500 -0.014 0.000 1.194 173 K HN 0.679 nan 8.250 nan 0.000 0.458 174 V N -1.205 118.700 119.914 -0.015 0.000 2.966 174 V HA 0.380 4.500 4.120 0.000 0.000 0.317 174 V C -0.184 175.927 176.094 0.028 0.000 1.070 174 V CA -0.969 61.336 62.300 0.008 0.000 1.008 174 V CB 1.548 33.397 31.823 0.042 0.000 1.070 174 V HN 0.681 nan 8.190 nan 0.000 0.457 175 N N 3.810 122.546 118.700 0.059 0.000 2.442 175 N HA 0.295 5.035 4.740 0.000 0.000 0.265 175 N C -1.450 174.094 175.510 0.057 0.000 1.138 175 N CA -1.867 51.216 53.050 0.056 0.000 0.956 175 N CB 1.518 40.051 38.487 0.076 0.000 1.067 175 N HN 0.622 nan 8.380 nan 0.000 0.474 176 P HA -0.052 nan 4.420 nan 0.000 0.230 176 P C -0.025 177.295 177.300 0.032 0.000 1.158 176 P CA 0.924 64.041 63.100 0.028 0.000 0.769 176 P CB 0.599 32.307 31.700 0.015 0.000 0.807 177 D N -0.580 119.845 120.400 0.042 0.000 2.301 177 D HA -0.035 4.605 4.640 0.000 0.000 0.206 177 D C 1.891 178.229 176.300 0.064 0.000 0.979 177 D CA 1.640 55.665 54.000 0.041 0.000 0.874 177 D CB -0.105 40.715 40.800 0.033 0.000 0.968 177 D HN 0.329 nan 8.370 nan 0.000 0.510 178 T N -3.601 111.015 114.554 0.103 0.000 2.990 178 T HA 0.337 4.687 4.350 0.000 0.000 0.249 178 T C 1.724 176.555 174.700 0.219 0.000 1.039 178 T CA 0.871 63.080 62.100 0.183 0.000 1.036 178 T CB 0.949 69.952 68.868 0.225 0.000 0.994 178 T HN 0.140 nan 8.240 nan 0.000 0.489 179 G N 0.539 109.418 108.800 0.132 0.000 2.179 179 G HA2 -0.233 3.727 3.960 0.000 0.000 0.260 179 G HA3 -0.233 3.727 3.960 0.000 0.000 0.260 179 G C -0.161 174.764 174.900 0.043 0.000 0.977 179 G CA 0.246 45.368 45.100 0.037 0.000 0.641 179 G HN 0.627 nan 8.290 nan 0.000 0.533 180 Y N -0.128 120.241 120.300 0.113 0.000 2.403 180 Y HA 0.653 5.203 4.550 0.000 0.000 0.323 180 Y C 1.414 177.381 175.900 0.112 0.000 1.226 180 Y CA -1.105 57.112 58.100 0.196 0.000 1.235 180 Y CB 0.806 39.354 38.460 0.147 0.000 1.248 180 Y HN 0.113 nan 8.280 nan 0.000 0.489 181 I N 2.377 123.074 120.570 0.212 0.000 2.668 181 I HA -0.091 4.079 4.170 0.000 0.000 0.285 181 I C 0.224 176.173 176.117 -0.280 0.000 1.168 181 I CA 0.402 61.585 61.300 -0.194 0.000 1.424 181 I CB 0.238 37.897 38.000 -0.568 0.000 1.377 181 I HN 0.539 nan 8.210 nan 0.000 0.560 182 D N 6.997 127.282 120.400 -0.191 0.000 2.470 182 D HA 0.024 4.664 4.640 0.000 0.000 0.226 182 D C 0.700 176.886 176.300 -0.190 0.000 1.196 182 D CA 0.015 53.950 54.000 -0.107 0.000 0.979 182 D CB 0.294 41.074 40.800 -0.032 0.000 1.059 182 D HN 0.344 nan 8.370 nan 0.000 0.515 183 Y N 1.280 121.552 120.300 -0.045 0.000 2.274 183 Y HA -0.162 4.388 4.550 0.000 0.000 0.290 183 Y C 2.046 177.896 175.900 -0.084 0.000 1.145 183 Y CA 0.745 58.785 58.100 -0.100 0.000 1.203 183 Y CB 0.111 38.516 38.460 -0.092 0.000 0.984 183 Y HN 0.319 nan 8.280 nan 0.000 0.533 184 D N -0.077 120.375 120.400 0.088 0.000 2.097 184 D HA -0.173 4.467 4.640 0.000 0.000 0.195 184 D C 2.211 178.514 176.300 0.005 0.000 0.989 184 D CA 1.245 55.267 54.000 0.038 0.000 0.827 184 D CB -0.271 40.547 40.800 0.029 0.000 0.966 184 D HN 0.124 nan 8.370 nan 0.000 0.456 185 R N 0.794 121.289 120.500 -0.009 0.000 2.096 185 R HA -0.084 4.256 4.340 0.000 0.000 0.235 185 R C 2.144 178.424 176.300 -0.032 0.000 1.127 185 R CA 0.620 56.710 56.100 -0.017 0.000 0.968 185 R CB -0.912 29.380 30.300 -0.014 0.000 0.861 185 R HN 0.188 nan 8.270 nan 0.000 0.440 186 L N 0.944 122.125 121.223 -0.071 0.000 2.017 186 L HA -0.086 4.254 4.340 0.000 0.000 0.208 186 L C 2.072 178.901 176.870 -0.068 0.000 1.073 186 L CA 2.280 57.050 54.840 -0.115 0.000 0.745 186 L CB -0.901 40.971 42.059 -0.311 0.000 0.894 186 L HN 0.415 nan 8.230 nan 0.000 0.432 187 E N -0.552 119.622 120.200 -0.042 0.000 2.085 187 E HA -0.269 4.081 4.350 0.000 0.000 0.194 187 E C 1.957 178.546 176.600 -0.018 0.000 0.994 187 E CA 1.757 58.145 56.400 -0.020 0.000 0.801 187 E CB -0.094 29.604 29.700 -0.004 0.000 0.743 187 E HN 0.708 nan 8.360 nan 0.000 0.453 188 E N -0.020 120.170 120.200 -0.016 0.000 2.028 188 E HA -0.154 4.196 4.350 0.000 0.000 0.191 188 E C 2.006 178.596 176.600 -0.016 0.000 0.988 188 E CA 1.057 57.448 56.400 -0.014 0.000 0.799 188 E CB -0.098 29.597 29.700 -0.009 0.000 0.755 188 E HN 0.239 nan 8.360 nan 0.000 0.447 189 N N 0.951 119.644 118.700 -0.012 0.000 2.289 189 N HA -0.108 4.632 4.740 0.000 0.000 0.184 189 N C 1.574 177.098 175.510 0.024 0.000 1.016 189 N CA 1.142 54.193 53.050 -0.000 0.000 0.872 189 N CB -0.317 38.164 38.487 -0.010 0.000 0.973 189 N HN 0.148 nan 8.380 nan 0.000 0.433 190 A N 1.040 123.869 122.820 0.015 0.000 1.969 190 A HA -0.073 4.247 4.320 0.000 0.000 0.218 190 A C 2.160 179.708 177.584 -0.060 0.000 1.169 190 A CA 0.994 53.054 52.037 0.038 0.000 0.635 190 A CB -0.304 18.712 19.000 0.025 0.000 0.810 190 A HN 0.215 nan 8.150 nan 0.000 0.445 191 R N -0.783 119.661 120.500 -0.093 0.000 2.148 191 R HA 0.074 4.414 4.340 0.000 0.000 0.227 191 R C 1.655 177.728 176.300 -0.378 0.000 1.103 191 R CA 1.082 57.075 56.100 -0.179 0.000 0.983 191 R CB -0.266 29.986 30.300 -0.080 0.000 0.874 191 R HN 0.504 nan 8.270 nan 0.000 0.451 192 L N -1.562 119.523 121.223 -0.230 0.000 2.253 192 L HA 0.031 4.371 4.340 0.000 0.000 0.205 192 L C 1.862 178.646 176.870 -0.143 0.000 1.078 192 L CA 0.351 55.086 54.840 -0.175 0.000 0.805 192 L CB -0.164 41.887 42.059 -0.012 0.000 0.963 192 L HN 0.067 nan 8.230 nan 0.000 0.459 193 F N 0.676 120.504 119.950 -0.204 0.000 2.293 193 F HA -0.009 4.518 4.527 0.000 0.000 0.297 193 F C 0.630 176.442 175.800 0.019 0.000 1.089 193 F CA 0.369 58.335 58.000 -0.055 0.000 1.377 193 F CB -0.216 38.776 39.000 -0.013 0.000 1.051 193 F HN 0.181 nan 8.300 nan 0.000 0.511 194 H N -0.575 118.485 119.070 -0.017 0.000 2.765 194 H HA -0.113 4.443 4.556 0.000 0.000 0.332 194 H C -2.407 172.823 175.328 -0.164 0.000 1.180 194 H CA 0.030 56.019 56.048 -0.098 0.000 1.142 194 H CB -1.754 27.927 29.762 -0.137 0.000 1.576 194 H HN 0.182 nan 8.280 nan 0.000 0.420 195 P HA 0.044 nan 4.420 nan 0.000 0.274 195 P C 0.332 177.669 177.300 0.062 0.000 1.231 195 P CA -0.248 62.910 63.100 0.097 0.000 0.790 195 P CB 1.309 33.165 31.700 0.260 0.000 0.951 196 K N 0.906 121.340 120.400 0.056 0.000 2.352 196 K HA 0.224 4.545 4.320 0.000 0.000 0.194 196 K C 0.500 177.168 176.600 0.113 0.000 1.038 196 K CA 0.194 56.515 56.287 0.057 0.000 1.023 196 K CB 0.314 32.852 32.500 0.063 0.000 0.840 196 K HN 0.415 nan 8.250 nan 0.000 0.519 197 L N 0.705 122.001 121.223 0.123 0.000 2.513 197 L HA 0.454 4.794 4.340 0.000 0.000 0.261 197 L C -1.810 175.144 176.870 0.140 0.000 0.945 197 L CA -0.622 54.312 54.840 0.157 0.000 0.848 197 L CB 1.822 43.964 42.059 0.138 0.000 1.334 197 L HN -0.136 nan 8.230 nan 0.000 0.407 198 I N 5.079 125.746 120.570 0.162 0.000 2.433 198 I HA 0.444 4.614 4.170 0.000 0.000 0.292 198 I C -0.617 175.588 176.117 0.147 0.000 1.001 198 I CA -0.593 60.800 61.300 0.156 0.000 1.119 198 I CB 2.070 40.152 38.000 0.137 0.000 1.289 198 I HN 0.454 nan 8.210 nan 0.000 0.438 199 I N 5.240 125.884 120.570 0.123 0.000 2.336 199 I HA 0.452 4.623 4.170 0.000 0.000 0.292 199 I C 0.231 176.393 176.117 0.075 0.000 0.991 199 I CA -0.392 60.926 61.300 0.029 0.000 1.227 199 I CB 1.633 39.512 38.000 -0.201 0.000 1.366 199 I HN 0.606 nan 8.210 nan 0.000 0.466 200 A N 5.448 128.328 122.820 0.099 0.000 2.394 200 A HA 0.837 5.157 4.320 0.000 0.000 0.333 200 A C 0.037 177.710 177.584 0.149 0.000 1.397 200 A CA -0.369 51.769 52.037 0.169 0.000 0.884 200 A CB 0.398 19.576 19.000 0.296 0.000 1.147 200 A HN 0.903 nan 8.150 nan 0.000 0.505 201 G N 0.705 109.563 108.800 0.098 0.000 2.596 201 G HA2 0.646 4.606 3.960 0.000 0.000 0.296 201 G HA3 0.646 4.606 3.960 0.000 0.000 0.296 201 G C -0.779 174.261 174.900 0.233 0.000 1.513 201 G CA 0.213 45.420 45.100 0.179 0.000 0.851 201 G HN 1.403 nan 8.290 nan 0.000 0.548 202 T N -2.057 112.624 114.554 0.211 0.000 2.864 202 T HA 0.746 5.096 4.350 0.000 0.000 0.299 202 T C 0.444 175.186 174.700 0.070 0.000 1.166 202 T CA 0.006 62.186 62.100 0.133 0.000 1.007 202 T CB 1.877 70.790 68.868 0.075 0.000 1.219 202 T HN 0.530 nan 8.240 nan 0.000 0.506 203 S N -0.598 115.090 115.700 -0.021 0.000 2.524 203 S HA 0.266 4.736 4.470 0.000 0.000 0.222 203 S C 0.480 174.871 174.600 -0.348 0.000 1.040 203 S CA -0.138 57.965 58.200 -0.162 0.000 0.915 203 S CB 0.246 63.477 63.200 0.053 0.000 0.831 203 S HN 0.921 nan 8.310 nan 0.000 0.492 204 C N 1.896 121.098 119.300 -0.164 0.000 3.432 204 C HA 0.572 5.032 4.460 0.000 0.000 0.242 204 C C -1.690 173.296 174.990 -0.007 0.000 1.152 204 C CA -0.496 58.440 59.018 -0.136 0.000 1.242 204 C CB -1.022 26.661 27.740 -0.096 0.000 1.802 204 C HN 0.474 nan 8.230 nan 0.000 0.577 205 Y N 2.596 122.788 120.300 -0.180 0.000 2.361 205 Y HA 0.451 5.001 4.550 0.000 0.000 0.328 205 Y C 0.808 176.617 175.900 -0.152 0.000 1.044 205 Y CA -0.001 58.010 58.100 -0.147 0.000 1.085 205 Y CB 1.994 40.395 38.460 -0.098 0.000 1.194 205 Y HN 0.456 nan 8.280 nan 0.000 0.438 206 S N 4.402 119.825 115.700 -0.462 0.000 2.603 206 S HA 0.300 4.770 4.470 0.000 0.000 0.220 206 S C 0.339 174.685 174.600 -0.424 0.000 0.967 206 S CA -0.075 57.891 58.200 -0.390 0.000 0.920 206 S CB -0.070 62.926 63.200 -0.340 0.000 0.773 206 S HN 0.462 nan 8.310 nan 0.000 0.529 207 R N 1.586 121.660 120.500 -0.710 0.000 2.873 207 R HA 0.492 4.832 4.340 0.000 0.000 0.264 207 R C -0.578 175.693 176.300 -0.047 0.000 1.026 207 R CA -0.849 55.000 56.100 -0.418 0.000 1.002 207 R CB 0.192 30.139 30.300 -0.587 0.000 1.174 207 R HN 0.223 nan 8.270 nan 0.000 0.488 208 N N 0.904 119.637 118.700 0.055 0.000 2.482 208 N HA 0.174 4.914 4.740 0.000 0.000 0.260 208 N C -0.152 175.434 175.510 0.127 0.000 1.236 208 N CA -0.007 53.104 53.050 0.101 0.000 0.938 208 N CB 0.612 39.148 38.487 0.081 0.000 1.128 208 N HN 0.268 nan 8.380 nan 0.000 0.448 209 L N 0.589 121.768 121.223 -0.073 0.000 2.325 209 L HA 0.192 4.532 4.340 0.000 0.000 0.279 209 L C 0.703 177.313 176.870 -0.433 0.000 1.054 209 L CA -0.659 54.041 54.840 -0.232 0.000 0.804 209 L CB 0.860 42.596 42.059 -0.538 0.000 1.200 209 L HN 0.356 nan 8.230 nan 0.000 0.436 210 D N 1.528 121.792 120.400 -0.226 0.000 2.558 210 D HA 0.028 4.669 4.640 0.000 0.000 0.221 210 D C 0.726 176.836 176.300 -0.317 0.000 1.143 210 D CA -0.007 53.783 54.000 -0.349 0.000 1.010 210 D CB 0.269 40.674 40.800 -0.659 0.000 1.068 210 D HN 0.303 nan 8.370 nan 0.000 0.511 211 Y N 1.100 121.347 120.300 -0.089 0.000 2.207 211 Y HA -0.116 4.434 4.550 0.000 0.000 0.287 211 Y C 2.529 178.241 175.900 -0.312 0.000 1.156 211 Y CA 1.376 59.417 58.100 -0.099 0.000 1.182 211 Y CB -0.649 37.832 38.460 0.035 0.000 0.979 211 Y HN 0.400 nan 8.280 nan 0.000 0.521 212 G N -0.417 108.097 108.800 -0.477 0.000 2.446 212 G HA2 -0.334 3.626 3.960 0.000 0.000 0.217 212 G HA3 -0.334 3.626 3.960 0.000 0.000 0.217 212 G C 1.770 176.494 174.900 -0.293 0.000 1.168 212 G CA 1.198 45.893 45.100 -0.674 0.000 0.771 212 G HN 0.268 nan 8.290 nan 0.000 0.551 213 R N 0.242 120.574 120.500 -0.281 0.000 2.081 213 R HA 0.113 4.453 4.340 0.000 0.000 0.235 213 R C 2.548 178.773 176.300 -0.124 0.000 1.131 213 R CA 1.075 57.032 56.100 -0.238 0.000 0.960 213 R CB -0.655 29.381 30.300 -0.439 0.000 0.856 213 R HN 0.399 nan 8.270 nan 0.000 0.436 214 L N 0.042 121.217 121.223 -0.080 0.000 2.141 214 L HA -0.087 4.253 4.340 0.000 0.000 0.209 214 L C 2.541 179.434 176.870 0.038 0.000 1.094 214 L CA 1.399 56.249 54.840 0.017 0.000 0.763 214 L CB -0.398 41.706 42.059 0.075 0.000 0.908 214 L HN 0.167 nan 8.230 nan 0.000 0.437 215 R N 0.949 121.466 120.500 0.028 0.000 2.075 215 R HA -0.141 4.200 4.340 0.000 0.000 0.232 215 R C 2.068 178.401 176.300 0.055 0.000 1.126 215 R CA 1.559 57.695 56.100 0.061 0.000 0.963 215 R CB -0.231 30.109 30.300 0.067 0.000 0.858 215 R HN 0.207 nan 8.270 nan 0.000 0.435 216 K N 0.008 120.415 120.400 0.011 0.000 2.057 216 K HA -0.067 4.253 4.320 0.000 0.000 0.207 216 K C 2.105 178.717 176.600 0.019 0.000 1.049 216 K CA 1.855 58.149 56.287 0.012 0.000 0.931 216 K CB -0.242 32.247 32.500 -0.019 0.000 0.714 216 K HN 0.218 nan 8.250 nan 0.000 0.440 217 I N 1.014 121.592 120.570 0.013 0.000 2.315 217 I HA -0.260 3.910 4.170 0.000 0.000 0.248 217 I C 2.537 178.676 176.117 0.036 0.000 1.117 217 I CA 0.970 62.280 61.300 0.015 0.000 1.404 217 I CB -0.399 37.603 38.000 0.003 0.000 1.071 217 I HN 0.156 nan 8.210 nan 0.000 0.419 218 A N 0.648 123.507 122.820 0.063 0.000 1.858 218 A HA -0.232 4.088 4.320 0.000 0.000 0.216 218 A C 1.967 179.597 177.584 0.076 0.000 1.190 218 A CA 2.012 54.105 52.037 0.093 0.000 0.617 218 A CB -0.619 18.480 19.000 0.166 0.000 0.827 218 A HN 0.311 nan 8.150 nan 0.000 0.443 219 D N -0.674 119.780 120.400 0.089 0.000 2.182 219 D HA -0.151 4.489 4.640 0.000 0.000 0.201 219 D C 1.829 178.146 176.300 0.029 0.000 0.986 219 D CA 1.329 55.368 54.000 0.064 0.000 0.847 219 D CB -0.307 40.539 40.800 0.078 0.000 0.942 219 D HN 0.727 nan 8.370 nan 0.000 0.467 220 E N 0.193 120.410 120.200 0.028 0.000 2.153 220 E HA -0.111 4.239 4.350 0.000 0.000 0.194 220 E C 0.877 177.488 176.600 0.019 0.000 0.988 220 E CA 0.714 57.125 56.400 0.018 0.000 0.811 220 E CB 0.199 29.908 29.700 0.015 0.000 0.746 220 E HN 0.179 nan 8.360 nan 0.000 0.466 221 N N -0.704 118.010 118.700 0.023 0.000 2.235 221 N HA 0.058 4.798 4.740 0.000 0.000 0.209 221 N C 0.567 176.082 175.510 0.009 0.000 1.122 221 N CA 0.722 53.792 53.050 0.033 0.000 0.845 221 N CB 1.410 39.923 38.487 0.044 0.000 1.004 221 N HN 0.256 nan 8.380 nan 0.000 0.499 222 G N 0.857 109.643 108.800 -0.023 0.000 2.168 222 G HA2 -0.292 3.668 3.960 0.000 0.000 0.257 222 G HA3 -0.292 3.668 3.960 0.000 0.000 0.257 222 G C 0.285 175.090 174.900 -0.159 0.000 0.997 222 G CA 0.545 45.594 45.100 -0.086 0.000 0.708 222 G HN 0.590 nan 8.290 nan 0.000 0.520 223 A N -1.004 121.761 122.820 -0.092 0.000 2.264 223 A HA 0.798 5.118 4.320 0.000 0.000 0.304 223 A C -0.081 177.431 177.584 -0.120 0.000 1.100 223 A CA -0.594 51.388 52.037 -0.092 0.000 0.839 223 A CB 0.695 19.718 19.000 0.038 0.000 1.121 223 A HN 0.510 nan 8.150 nan 0.000 0.496 224 Y N -0.565 119.750 120.300 0.025 0.000 2.307 224 Y HA 0.454 5.004 4.550 0.000 0.000 0.324 224 Y C 0.118 176.160 175.900 0.237 0.000 1.238 224 Y CA -0.220 57.901 58.100 0.034 0.000 1.280 224 Y CB 1.318 39.777 38.460 -0.002 0.000 1.248 224 Y HN 0.500 nan 8.280 nan 0.000 0.508 225 L N 5.082 126.723 121.223 0.696 0.000 2.298 225 L HA 0.506 4.846 4.340 0.000 0.000 0.284 225 L C -0.896 176.152 176.870 0.297 0.000 1.013 225 L CA -0.708 54.361 54.840 0.382 0.000 0.824 225 L CB 0.786 42.996 42.059 0.252 0.000 1.221 225 L HN 0.703 nan 8.230 nan 0.000 0.418 226 M N 5.031 124.755 119.600 0.207 0.000 2.227 226 M HA 0.752 5.232 4.480 0.000 0.000 0.335 226 M C -0.950 175.402 176.300 0.087 0.000 1.053 226 M CA -0.532 54.850 55.300 0.137 0.000 0.973 226 M CB 1.568 34.249 32.600 0.135 0.000 1.623 226 M HN 0.780 nan 8.290 nan 0.000 0.434 227 A N 3.417 126.247 122.820 0.018 0.000 2.290 227 A HA 0.432 4.752 4.320 0.000 0.000 0.310 227 A C -0.991 176.586 177.584 -0.011 0.000 1.202 227 A CA -0.515 51.519 52.037 -0.005 0.000 0.837 227 A CB 0.550 19.432 19.000 -0.196 0.000 1.139 227 A HN 0.779 nan 8.150 nan 0.000 0.509 228 D N 3.363 123.795 120.400 0.054 0.000 2.472 228 D HA 0.291 4.931 4.640 0.000 0.000 0.234 228 D C 0.623 176.982 176.300 0.097 0.000 1.088 228 D CA -0.362 53.694 54.000 0.093 0.000 0.882 228 D CB 0.618 41.558 40.800 0.233 0.000 1.037 228 D HN 0.537 nan 8.370 nan 0.000 0.520 229 M N 1.537 121.152 119.600 0.025 0.000 2.551 229 M HA 0.393 4.873 4.480 0.000 0.000 0.252 229 M C 1.348 177.681 176.300 0.054 0.000 1.219 229 M CA -0.393 54.934 55.300 0.044 0.000 0.978 229 M CB 0.726 33.297 32.600 -0.048 0.000 1.533 229 M HN 0.121 nan 8.290 nan 0.000 0.474 230 A N 1.070 123.914 122.820 0.040 0.000 1.909 230 A HA -0.272 4.048 4.320 0.000 0.000 0.221 230 A C 1.816 179.361 177.584 -0.065 0.000 1.223 230 A CA 2.549 54.565 52.037 -0.036 0.000 0.658 230 A CB -1.346 17.606 19.000 -0.080 0.000 0.831 230 A HN 0.759 nan 8.150 nan 0.000 0.462 231 H N -0.629 118.438 119.070 -0.005 0.000 2.457 231 H HA 0.071 4.627 4.556 0.000 0.000 0.294 231 H C 1.649 176.902 175.328 -0.124 0.000 1.064 231 H CA 1.631 57.684 56.048 0.008 0.000 1.330 231 H CB -0.031 29.837 29.762 0.176 0.000 1.395 231 H HN 0.679 nan 8.280 nan 0.000 0.541 232 I N -1.571 119.045 120.570 0.075 0.000 4.025 232 I HA 0.191 4.361 4.170 0.000 0.000 0.336 232 I C 1.731 177.885 176.117 0.061 0.000 1.390 232 I CA 0.283 61.595 61.300 0.020 0.000 1.099 232 I CB 0.358 38.434 38.000 0.127 0.000 1.049 232 I HN 0.059 nan 8.210 nan 0.000 0.394 233 S N 1.624 117.370 115.700 0.076 0.000 2.402 233 S HA -0.141 4.329 4.470 0.000 0.000 0.233 233 S C 1.939 176.678 174.600 0.231 0.000 1.030 233 S CA 1.502 59.813 58.200 0.185 0.000 1.003 233 S CB -1.209 62.091 63.200 0.166 0.000 0.813 233 S HN 0.593 nan 8.310 nan 0.000 0.477 234 G N 1.295 110.192 108.800 0.161 0.000 2.408 234 G HA2 0.090 4.050 3.960 0.000 0.000 0.215 234 G HA3 0.090 4.050 3.960 0.000 0.000 0.215 234 G C 1.295 176.304 174.900 0.182 0.000 1.156 234 G CA 0.642 45.902 45.100 0.268 0.000 0.793 234 G HN 0.449 nan 8.290 nan 0.000 0.535 235 L N 0.729 121.986 121.223 0.056 0.000 2.083 235 L HA -0.011 4.330 4.340 0.000 0.000 0.209 235 L C 3.020 179.930 176.870 0.068 0.000 1.083 235 L CA 0.788 55.639 54.840 0.019 0.000 0.752 235 L CB -0.724 41.334 42.059 -0.001 0.000 0.899 235 L HN 0.073 nan 8.230 nan 0.000 0.433 236 V N -1.308 118.678 119.914 0.119 0.000 2.295 236 V HA -0.260 3.860 4.120 0.000 0.000 0.246 236 V C 2.440 178.569 176.094 0.059 0.000 1.049 236 V CA 1.508 63.896 62.300 0.146 0.000 1.024 236 V CB -0.444 31.549 31.823 0.284 0.000 0.648 236 V HN 0.229 nan 8.190 nan 0.000 0.447 237 V N 0.489 120.379 119.914 -0.040 0.000 2.332 237 V HA -0.283 3.837 4.120 0.000 0.000 0.248 237 V C 2.590 178.641 176.094 -0.071 0.000 1.055 237 V CA 2.158 64.294 62.300 -0.273 0.000 1.038 237 V CB -1.126 30.485 31.823 -0.353 0.000 0.651 237 V HN 0.579 nan 8.190 nan 0.000 0.450 238 A N -0.689 122.169 122.820 0.063 0.000 2.209 238 A HA 0.316 4.636 4.320 0.000 0.000 0.212 238 A C 1.979 179.573 177.584 0.017 0.000 1.158 238 A CA 1.110 53.188 52.037 0.067 0.000 0.742 238 A CB -0.648 18.387 19.000 0.058 0.000 0.790 238 A HN 1.353 nan 8.150 nan 0.000 0.472 239 G N -1.848 106.959 108.800 0.011 0.000 2.160 239 G HA2 -0.226 3.734 3.960 0.000 0.000 0.244 239 G HA3 -0.226 3.734 3.960 0.000 0.000 0.244 239 G C 0.663 175.572 174.900 0.016 0.000 1.022 239 G CA 0.392 45.499 45.100 0.012 0.000 0.741 239 G HN 0.685 nan 8.290 nan 0.000 0.508 240 V N -0.627 119.295 119.914 0.013 0.000 3.235 240 V HA 0.290 4.410 4.120 0.000 0.000 0.259 240 V C 1.417 177.525 176.094 0.025 0.000 1.133 240 V CA 1.550 63.852 62.300 0.003 0.000 1.128 240 V CB 0.464 32.270 31.823 -0.029 0.000 0.757 240 V HN 1.245 nan 8.190 nan 0.000 0.469 241 V N -3.733 116.212 119.914 0.052 0.000 3.049 241 V HA 0.683 4.803 4.120 0.000 0.000 0.309 241 V C -3.040 173.118 176.094 0.106 0.000 1.148 241 V CA -2.697 59.651 62.300 0.080 0.000 0.990 241 V CB 1.522 33.405 31.823 0.101 0.000 1.039 241 V HN 0.022 nan 8.190 nan 0.000 0.430 242 P HA 0.178 nan 4.420 nan 0.000 0.266 242 P C -0.211 177.198 177.300 0.182 0.000 1.193 242 P CA 0.443 63.638 63.100 0.158 0.000 0.770 242 P CB 0.460 32.277 31.700 0.194 0.000 0.836 243 S N 2.864 118.640 115.700 0.126 0.000 2.537 243 S HA 0.287 4.757 4.470 0.000 0.000 0.275 243 S C -1.364 173.160 174.600 -0.127 0.000 1.272 243 S CA -1.450 56.789 58.200 0.065 0.000 1.050 243 S CB 0.130 63.389 63.200 0.099 0.000 0.961 243 S HN 0.319 nan 8.310 nan 0.000 0.496 244 P HA 0.084 nan 4.420 nan 0.000 0.240 244 P C 0.742 177.611 177.300 -0.718 0.000 1.190 244 P CA 0.437 62.871 63.100 -1.111 0.000 0.781 244 P CB -0.057 30.848 31.700 -1.325 0.000 0.931 245 F N 0.945 120.631 119.950 -0.440 0.000 2.641 245 F HA 0.001 4.528 4.527 0.000 0.000 0.298 245 F C 2.425 178.144 175.800 -0.137 0.000 1.146 245 F CA 0.906 58.651 58.000 -0.424 0.000 1.464 245 F CB -0.560 37.993 39.000 -0.745 0.000 1.101 245 F HN 0.019 nan 8.300 nan 0.000 0.585 246 E N -0.760 119.396 120.200 -0.075 0.000 2.158 246 E HA -0.138 4.212 4.350 0.000 0.000 0.191 246 E C 1.094 177.439 176.600 -0.426 0.000 0.982 246 E CA 1.108 57.369 56.400 -0.231 0.000 0.823 246 E CB 0.079 29.561 29.700 -0.363 0.000 0.766 246 E HN 0.531 nan 8.360 nan 0.000 0.468 247 H N -2.203 116.869 119.070 0.003 0.000 3.255 247 H HA 0.268 4.824 4.556 0.000 0.000 0.256 247 H C 0.129 175.397 175.328 -0.100 0.000 1.049 247 H CA -0.441 55.598 56.048 -0.014 0.000 1.202 247 H CB 0.473 30.254 29.762 0.033 0.000 1.497 247 H HN 0.024 nan 8.280 nan 0.000 0.503 248 C N 0.911 120.204 119.300 -0.011 0.000 2.520 248 C HA 0.111 4.571 4.460 0.000 0.000 0.376 248 C C 1.519 176.481 174.990 -0.047 0.000 1.268 248 C CA -0.094 58.886 59.018 -0.062 0.000 2.414 248 C CB 0.785 28.465 27.740 -0.100 0.000 2.521 248 C HN 0.649 nan 8.230 nan 0.000 0.618 249 H N -0.565 118.584 119.070 0.132 0.000 2.486 249 H HA 0.270 4.826 4.556 0.000 0.000 0.287 249 H C 0.105 175.440 175.328 0.012 0.000 1.010 249 H CA 0.676 56.730 56.048 0.010 0.000 1.324 249 H CB 0.207 30.058 29.762 0.149 0.000 1.446 249 H HN 0.333 nan 8.280 nan 0.000 0.537 250 V N 0.895 120.948 119.914 0.231 0.000 2.925 250 V HA 0.369 4.489 4.120 0.000 0.000 0.311 250 V C -1.032 175.132 176.094 0.116 0.000 1.104 250 V CA -0.955 61.479 62.300 0.223 0.000 0.954 250 V CB 3.003 34.895 31.823 0.116 0.000 1.022 250 V HN -0.129 nan 8.190 nan 0.000 0.427 251 V N 2.581 122.559 119.914 0.107 0.000 2.569 251 V HA 0.632 4.753 4.120 0.000 0.000 0.301 251 V C 0.036 176.175 176.094 0.075 0.000 1.044 251 V CA -0.418 61.808 62.300 -0.123 0.000 0.874 251 V CB 2.110 33.500 31.823 -0.722 0.000 1.002 251 V HN 1.056 nan 8.190 nan 0.000 0.424 252 T N 0.570 115.142 114.554 0.030 0.000 2.945 252 T HA 0.875 5.225 4.350 0.000 0.000 0.286 252 T C -0.315 174.416 174.700 0.051 0.000 1.025 252 T CA -0.667 61.473 62.100 0.066 0.000 1.039 252 T CB 2.216 71.102 68.868 0.030 0.000 1.068 252 T HN 0.813 nan 8.240 nan 0.000 0.497 253 T N 0.378 114.970 114.554 0.062 0.000 2.827 253 T HA 0.567 4.917 4.350 0.000 0.000 0.328 253 T C -0.538 174.172 174.700 0.018 0.000 1.598 253 T CA -0.288 61.835 62.100 0.038 0.000 1.043 253 T CB 1.251 70.161 68.868 0.071 0.000 1.447 253 T HN 1.211 nan 8.240 nan 0.000 0.491 254 T N -0.173 114.353 114.554 -0.048 0.000 2.862 254 T HA 0.535 4.885 4.350 0.000 0.000 0.276 254 T C 1.302 175.972 174.700 -0.049 0.000 0.974 254 T CA 0.207 62.260 62.100 -0.079 0.000 0.966 254 T CB 1.026 69.686 68.868 -0.346 0.000 1.072 254 T HN 0.820 nan 8.240 nan 0.000 0.538 255 T N -3.044 111.526 114.554 0.027 0.000 3.044 255 T HA 0.162 4.512 4.350 0.000 0.000 0.260 255 T C 0.984 175.737 174.700 0.089 0.000 1.019 255 T CA -0.242 61.901 62.100 0.070 0.000 0.921 255 T CB -0.411 68.515 68.868 0.097 0.000 1.053 255 T HN 0.862 nan 8.240 nan 0.000 0.533 256 H N 1.191 120.272 119.070 0.019 0.000 3.397 256 H HA 0.576 5.132 4.556 0.000 0.000 0.155 256 H C 0.758 176.080 175.328 -0.009 0.000 1.557 256 H CA -0.372 55.681 56.048 0.008 0.000 1.675 256 H CB -0.193 29.566 29.762 -0.006 0.000 1.056 256 H HN 0.064 nan 8.280 nan 0.000 0.889 257 K N -1.453 118.918 120.400 -0.049 0.000 1.844 257 K HA -0.265 4.055 4.320 0.000 0.000 0.160 257 K C 1.578 178.148 176.600 -0.050 0.000 1.448 257 K CA 2.076 58.274 56.287 -0.148 0.000 0.446 257 K CB -1.806 30.461 32.500 -0.389 0.000 0.635 257 K HN 0.828 nan 8.250 nan 0.000 0.848 258 T N -0.218 114.281 114.554 -0.092 0.000 3.035 258 T HA -0.031 4.320 4.350 0.000 0.000 0.268 258 T C 1.637 176.457 174.700 0.200 0.000 1.109 258 T CA 1.306 63.414 62.100 0.014 0.000 1.119 258 T CB 0.050 68.840 68.868 -0.130 0.000 0.900 258 T HN 0.318 nan 8.240 nan 0.000 0.503 259 L N 1.043 122.359 121.223 0.155 0.000 2.478 259 L HA 0.413 4.753 4.340 0.000 0.000 0.223 259 L C 1.562 178.562 176.870 0.217 0.000 1.140 259 L CA 0.705 55.675 54.840 0.218 0.000 0.842 259 L CB -1.160 40.968 42.059 0.115 0.000 0.953 259 L HN 0.398 nan 8.230 nan 0.000 0.452 260 R N -1.003 119.612 120.500 0.192 0.000 3.525 260 R HA -0.172 4.168 4.340 0.000 0.000 0.276 260 R C 0.556 176.925 176.300 0.114 0.000 1.116 260 R CA 0.472 56.669 56.100 0.162 0.000 0.745 260 R CB -1.619 28.806 30.300 0.208 0.000 1.185 260 R HN 0.554 nan 8.270 nan 0.000 0.454 261 G N -0.739 108.127 108.800 0.109 0.000 2.828 261 G HA2 0.519 4.479 3.960 0.000 0.000 0.244 261 G HA3 0.519 4.479 3.960 0.000 0.000 0.244 261 G C 0.370 175.335 174.900 0.108 0.000 1.365 261 G CA -0.236 44.916 45.100 0.087 0.000 1.041 261 G HN 0.485 nan 8.290 nan 0.000 0.560 262 C N -1.752 117.600 119.300 0.087 0.000 2.411 262 C HA 0.737 5.197 4.460 0.000 0.000 0.358 262 C C 0.645 175.689 174.990 0.090 0.000 1.349 262 C CA -1.236 57.824 59.018 0.069 0.000 2.326 262 C CB 0.099 27.870 27.740 0.052 0.000 2.166 262 C HN 0.639 nan 8.230 nan 0.000 0.609 263 R N 1.340 121.847 120.500 0.012 0.000 2.316 263 R HA 0.564 4.904 4.340 0.000 0.000 0.314 263 R C 0.100 176.453 176.300 0.088 0.000 1.069 263 R CA 0.797 56.894 56.100 -0.006 0.000 0.959 263 R CB 0.376 30.576 30.300 -0.167 0.000 0.987 263 R HN 1.059 nan 8.270 nan 0.000 0.446 264 A N 1.598 124.516 122.820 0.163 0.000 2.490 264 A HA 0.702 5.022 4.320 0.000 0.000 0.292 264 A C -1.239 176.409 177.584 0.107 0.000 1.047 264 A CA -0.390 51.713 52.037 0.110 0.000 0.632 264 A CB 1.256 20.295 19.000 0.065 0.000 1.323 264 A HN 0.709 nan 8.150 nan 0.000 0.448 265 G N -0.745 108.085 108.800 0.051 0.000 2.642 265 G HA2 0.701 4.661 3.960 0.000 0.000 0.293 265 G HA3 0.701 4.661 3.960 0.000 0.000 0.293 265 G C -1.058 173.832 174.900 -0.018 0.000 1.341 265 G CA -0.633 44.483 45.100 0.027 0.000 0.916 265 G HN 0.739 nan 8.290 nan 0.000 0.474 266 M N 0.282 119.865 119.600 -0.027 0.000 2.484 266 M HA 0.503 4.983 4.480 0.000 0.000 0.289 266 M C -1.280 174.961 176.300 -0.098 0.000 1.206 266 M CA -0.509 54.721 55.300 -0.116 0.000 0.892 266 M CB 3.116 35.591 32.600 -0.208 0.000 1.712 266 M HN 0.264 nan 8.290 nan 0.000 0.462 267 I N 1.957 122.434 120.570 -0.154 0.000 2.439 267 I HA 0.426 4.597 4.170 0.000 0.000 0.285 267 I C -1.379 174.701 176.117 -0.060 0.000 1.021 267 I CA -0.341 60.948 61.300 -0.018 0.000 1.091 267 I CB 1.214 39.242 38.000 0.047 0.000 1.242 267 I HN 0.489 nan 8.210 nan 0.000 0.439 268 F N 6.458 126.451 119.950 0.072 0.000 2.404 268 F HA 0.524 5.051 4.527 0.000 0.000 0.339 268 F C -0.162 175.792 175.800 0.257 0.000 1.105 268 F CA -0.502 57.540 58.000 0.071 0.000 1.087 268 F CB 1.126 40.215 39.000 0.148 0.000 1.143 268 F HN 0.322 nan 8.300 nan 0.000 0.491 269 Y N -0.208 120.390 120.300 0.497 0.000 2.534 269 Y HA 0.680 5.230 4.550 0.000 0.000 0.345 269 Y C -0.652 175.157 175.900 -0.152 0.000 1.031 269 Y CA -2.029 56.174 58.100 0.171 0.000 1.022 269 Y CB 0.900 39.348 38.460 -0.020 0.000 1.292 269 Y HN 0.421 nan 8.280 nan 0.000 0.459 270 R N 2.446 122.585 120.500 -0.602 0.000 2.641 270 R HA 0.525 4.865 4.340 0.000 0.000 0.269 270 R C -0.480 175.516 176.300 -0.506 0.000 1.074 270 R CA -0.606 54.834 56.100 -1.099 0.000 1.133 270 R CB 0.778 30.158 30.300 -1.532 0.000 1.029 270 R HN 0.781 nan 8.270 nan 0.000 0.488 271 R N -0.001 120.292 120.500 -0.346 0.000 2.854 271 R HA 0.530 4.870 4.340 0.000 0.000 0.271 271 R C -0.086 176.271 176.300 0.094 0.000 0.994 271 R CA -0.141 55.950 56.100 -0.014 0.000 0.945 271 R CB 2.212 32.530 30.300 0.030 0.000 1.194 271 R HN 0.877 nan 8.270 nan 0.000 0.476 272 G N 0.324 109.226 108.800 0.171 0.000 2.466 272 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 272 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 272 G C -1.095 173.884 174.900 0.131 0.000 1.237 272 G CA -0.595 44.588 45.100 0.139 0.000 0.954 272 G HN 0.418 nan 8.290 nan 0.000 0.580 273 V N 1.901 121.846 119.914 0.051 0.000 2.498 273 V HA 0.501 4.621 4.120 0.000 0.000 0.279 273 V C 1.658 177.622 176.094 -0.216 0.000 1.048 273 V CA 0.917 63.169 62.300 -0.080 0.000 0.967 273 V CB 1.278 33.075 31.823 -0.043 0.000 0.988 273 V HN 0.906 nan 8.190 nan 0.000 0.473 274 R N 3.008 123.173 120.500 -0.557 0.000 2.074 274 R HA 0.106 4.446 4.340 0.000 0.000 0.218 274 R C 0.836 176.984 176.300 -0.254 0.000 1.137 274 R CA 1.126 56.761 56.100 -0.775 0.000 0.998 274 R CB 0.367 29.996 30.300 -1.118 0.000 0.895 274 R HN 0.862 nan 8.270 nan 0.000 0.442 275 S N -1.485 114.095 115.700 -0.199 0.000 2.720 275 S HA 0.520 4.990 4.470 0.000 0.000 0.287 275 S C 0.047 174.600 174.600 -0.077 0.000 1.168 275 S CA -0.503 57.639 58.200 -0.097 0.000 0.832 275 S CB 1.585 64.735 63.200 -0.082 0.000 1.166 275 S HN 0.064 nan 8.310 nan 0.000 0.493 276 V N -1.879 118.006 119.914 -0.048 0.000 6.981 276 V HA 0.741 4.861 4.120 0.000 0.000 0.267 276 V C -0.553 175.521 176.094 -0.033 0.000 1.691 276 V CA 0.084 62.361 62.300 -0.038 0.000 0.587 276 V CB 0.274 32.082 31.823 -0.024 0.000 1.625 276 V HN 1.095 nan 8.190 nan 0.000 0.354 283 E N 2.592 122.771 120.200 -0.035 0.000 2.222 283 E HA 0.478 4.828 4.350 0.000 0.000 0.267 283 E C -0.176 176.387 176.600 -0.062 0.000 0.963 283 E CA -0.764 55.606 56.400 -0.050 0.000 0.837 283 E CB 1.749 31.421 29.700 -0.047 0.000 1.183 283 E HN 0.195 nan 8.360 nan 0.000 0.403 284 I N -0.752 119.763 120.570 -0.092 0.000 2.603 284 I HA 0.507 4.677 4.170 0.000 0.000 0.300 284 I C -0.527 175.496 176.117 -0.155 0.000 1.017 284 I CA -1.319 59.916 61.300 -0.107 0.000 1.098 284 I CB 1.479 39.411 38.000 -0.114 0.000 1.279 284 I HN 0.358 nan 8.210 nan 0.000 0.437 285 L N 3.906 125.056 121.223 -0.121 0.000 2.375 285 L HA 0.446 4.786 4.340 0.000 0.000 0.268 285 L C -0.753 176.044 176.870 -0.122 0.000 1.058 285 L CA -0.885 53.885 54.840 -0.117 0.000 0.803 285 L CB 0.947 42.987 42.059 -0.032 0.000 1.212 285 L HN 0.507 nan 8.230 nan 0.000 0.451 286 Y N 0.765 121.065 120.300 -0.000 0.000 2.359 286 Y HA 0.014 4.565 4.550 0.000 0.000 0.330 286 Y C 1.007 176.901 175.900 -0.011 0.000 1.143 286 Y CA 0.185 58.289 58.100 0.007 0.000 1.318 286 Y CB 0.350 38.808 38.460 -0.003 0.000 1.234 286 Y HN 0.537 nan 8.280 nan 0.000 0.522 287 N N 2.687 121.488 118.700 0.167 0.000 2.238 287 N HA 0.130 4.870 4.740 0.000 0.000 0.235 287 N C 0.828 176.320 175.510 -0.030 0.000 1.209 287 N CA 0.046 53.126 53.050 0.049 0.000 0.879 287 N CB 0.283 38.791 38.487 0.035 0.000 1.136 287 N HN 0.658 nan 8.380 nan 0.000 0.517 288 L N 0.632 121.833 121.223 -0.037 0.000 2.017 288 L HA -0.169 4.171 4.340 0.000 0.000 0.208 288 L C 2.396 179.014 176.870 -0.421 0.000 1.073 288 L CA 1.368 56.085 54.840 -0.204 0.000 0.745 288 L CB -0.578 41.382 42.059 -0.165 0.000 0.894 288 L HN 0.353 nan 8.230 nan 0.000 0.432 289 E N 0.837 120.736 120.200 -0.501 0.000 2.035 289 E HA -0.311 4.039 4.350 0.000 0.000 0.204 289 E C 2.237 178.528 176.600 -0.514 0.000 1.025 289 E CA 2.514 58.431 56.400 -0.805 0.000 0.835 289 E CB -0.051 29.453 29.700 -0.325 0.000 0.764 289 E HN 0.509 nan 8.360 nan 0.000 0.457 290 S N 0.249 115.783 115.700 -0.276 0.000 2.402 290 S HA -0.126 4.344 4.470 0.000 0.000 0.229 290 S C 2.156 176.651 174.600 -0.175 0.000 1.021 290 S CA 1.095 59.178 58.200 -0.194 0.000 0.974 290 S CB -0.536 62.599 63.200 -0.109 0.000 0.800 290 S HN 0.323 nan 8.310 nan 0.000 0.484 291 L N 0.587 121.703 121.223 -0.178 0.000 2.056 291 L HA 0.014 4.355 4.340 0.000 0.000 0.207 291 L C 2.650 179.423 176.870 -0.161 0.000 1.078 291 L CA 1.316 56.072 54.840 -0.140 0.000 0.749 291 L CB -0.567 41.416 42.059 -0.126 0.000 0.901 291 L HN 0.295 nan 8.230 nan 0.000 0.433 292 I N -0.165 120.257 120.570 -0.246 0.000 2.252 292 I HA -0.257 3.913 4.170 0.000 0.000 0.245 292 I C 2.238 178.250 176.117 -0.174 0.000 1.102 292 I CA 0.973 62.137 61.300 -0.227 0.000 1.385 292 I CB -0.336 37.472 38.000 -0.319 0.000 1.064 292 I HN 0.320 nan 8.210 nan 0.000 0.414 293 N N 0.480 119.033 118.700 -0.246 0.000 2.120 293 N HA -0.137 4.603 4.740 0.000 0.000 0.188 293 N C 2.003 177.539 175.510 0.044 0.000 1.024 293 N CA 1.413 54.353 53.050 -0.183 0.000 0.852 293 N CB -0.290 37.936 38.487 -0.435 0.000 1.003 293 N HN 0.185 nan 8.380 nan 0.000 0.424 294 S N 0.536 116.223 115.700 -0.022 0.000 2.383 294 S HA 0.009 4.479 4.470 0.000 0.000 0.227 294 S C 2.026 176.613 174.600 -0.022 0.000 1.026 294 S CA 0.933 59.131 58.200 -0.004 0.000 0.981 294 S CB -0.149 63.026 63.200 -0.041 0.000 0.818 294 S HN 0.491 nan 8.310 nan 0.000 0.472 295 A N 1.011 123.813 122.820 -0.030 0.000 1.898 295 A HA -0.001 4.319 4.320 0.000 0.000 0.216 295 A C 2.307 179.893 177.584 0.004 0.000 1.181 295 A CA 1.224 53.246 52.037 -0.024 0.000 0.620 295 A CB -0.792 18.184 19.000 -0.040 0.000 0.819 295 A HN 0.331 nan 8.150 nan 0.000 0.442 296 V N -2.106 117.829 119.914 0.035 0.000 2.261 296 V HA -0.027 4.093 4.120 0.000 0.000 0.246 296 V C 0.909 177.066 176.094 0.105 0.000 1.047 296 V CA 1.906 64.238 62.300 0.053 0.000 1.015 296 V CB -0.553 31.326 31.823 0.092 0.000 0.642 296 V HN 0.553 nan 8.190 nan 0.000 0.446 297 F N 0.869 120.816 119.950 -0.005 0.000 2.596 297 F HA 0.540 5.067 4.527 0.000 0.000 0.311 297 F C -2.481 173.315 175.800 -0.008 0.000 1.116 297 F CA -2.062 55.887 58.000 -0.085 0.000 0.957 297 F CB 2.093 40.927 39.000 -0.277 0.000 1.250 297 F HN -0.140 nan 8.300 nan 0.000 0.444 298 P HA 0.151 nan 4.420 nan 0.000 0.255 298 P C 0.954 178.015 177.300 -0.398 0.000 1.301 298 P CA 0.693 63.059 63.100 -1.222 0.000 0.817 298 P CB 0.251 31.319 31.700 -1.054 0.000 1.259 299 G N 1.530 110.200 108.800 -0.217 0.000 2.604 299 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 299 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 299 G C 1.299 176.179 174.900 -0.033 0.000 1.265 299 G CA 0.729 45.774 45.100 -0.092 0.000 0.804 299 G HN 0.279 nan 8.290 nan 0.000 0.579 300 L N -0.588 120.638 121.223 0.006 0.000 2.575 300 L HA 0.332 4.672 4.340 0.000 0.000 0.228 300 L C 1.287 178.184 176.870 0.045 0.000 1.075 300 L CA 0.132 54.996 54.840 0.039 0.000 0.867 300 L CB 0.274 42.381 42.059 0.080 0.000 1.097 300 L HN 0.207 nan 8.230 nan 0.000 0.485 301 Q N -1.233 118.594 119.800 0.046 0.000 2.445 301 Q HA 0.539 4.879 4.340 0.000 0.000 0.281 301 Q C -0.035 176.087 176.000 0.203 0.000 1.101 301 Q CA -0.316 55.524 55.803 0.061 0.000 0.833 301 Q CB 2.293 30.886 28.738 -0.242 0.000 1.416 301 Q HN 0.085 nan 8.270 nan 0.000 0.451 302 G N -0.337 108.584 108.800 0.201 0.000 3.392 302 G HA2 0.473 4.433 3.960 0.000 0.000 0.188 302 G HA3 0.473 4.433 3.960 0.000 0.000 0.188 302 G C -0.239 174.586 174.900 -0.125 0.000 1.485 302 G CA -0.218 44.976 45.100 0.156 0.000 0.943 302 G HN 0.580 nan 8.290 nan 0.000 0.627 303 G N 1.657 110.340 108.800 -0.194 0.000 2.365 303 G HA2 0.475 4.435 3.960 0.000 0.000 0.249 303 G HA3 0.475 4.435 3.960 0.000 0.000 0.249 303 G C -2.063 172.777 174.900 -0.100 0.000 1.288 303 G CA -0.371 44.448 45.100 -0.468 0.000 0.887 303 G HN 0.388 nan 8.290 nan 0.000 0.524 304 P HA 0.097 nan 4.420 nan 0.000 0.274 304 P C -0.783 176.656 177.300 0.231 0.000 1.231 304 P CA -0.339 62.760 63.100 -0.003 0.000 0.790 304 P CB 0.878 32.480 31.700 -0.163 0.000 0.951 305 H N 2.191 121.330 119.070 0.114 0.000 3.008 305 H HA 0.165 4.721 4.556 0.000 0.000 0.268 305 H C 1.430 176.693 175.328 -0.108 0.000 1.323 305 H CA -0.153 55.901 56.048 0.010 0.000 1.401 305 H CB -0.693 28.999 29.762 -0.117 0.000 1.556 305 H HN 0.341 nan 8.280 nan 0.000 0.502 306 N N 1.610 120.391 118.700 0.134 0.000 2.223 306 N HA -0.156 4.584 4.740 0.000 0.000 0.185 306 N C 1.836 177.382 175.510 0.059 0.000 1.016 306 N CA 0.916 54.012 53.050 0.078 0.000 0.863 306 N CB 0.000 38.544 38.487 0.095 0.000 0.983 306 N HN 0.728 nan 8.380 nan 0.000 0.429 307 H N -0.082 119.019 119.070 0.051 0.000 2.421 307 H HA 0.124 4.680 4.556 0.000 0.000 0.298 307 H C 1.744 177.104 175.328 0.053 0.000 1.087 307 H CA 1.294 57.363 56.048 0.036 0.000 1.330 307 H CB -0.519 29.250 29.762 0.013 0.000 1.388 307 H HN 0.123 nan 8.280 nan 0.000 0.526 308 A N 1.652 124.156 122.820 -0.526 0.000 1.968 308 A HA 0.074 4.394 4.320 0.000 0.000 0.217 308 A C 2.668 180.200 177.584 -0.087 0.000 1.169 308 A CA 0.770 52.652 52.037 -0.259 0.000 0.638 308 A CB -0.630 18.222 19.000 -0.246 0.000 0.812 308 A HN 0.344 nan 8.150 nan 0.000 0.446 309 I N -0.285 120.245 120.570 -0.067 0.000 2.394 309 I HA -0.230 3.940 4.170 0.000 0.000 0.251 309 I C 2.860 178.973 176.117 -0.007 0.000 1.136 309 I CA 0.881 62.167 61.300 -0.024 0.000 1.425 309 I CB -0.225 37.766 38.000 -0.015 0.000 1.079 309 I HN 0.360 nan 8.210 nan 0.000 0.425 310 A N 0.933 123.755 122.820 0.004 0.000 1.898 310 A HA -0.062 4.259 4.320 0.000 0.000 0.216 310 A C 2.449 180.042 177.584 0.014 0.000 1.181 310 A CA 1.644 53.692 52.037 0.017 0.000 0.620 310 A CB -1.309 17.714 19.000 0.037 0.000 0.819 310 A HN 0.424 nan 8.150 nan 0.000 0.442 311 G N -0.405 108.405 108.800 0.016 0.000 2.440 311 G HA2 -0.138 3.822 3.960 0.000 0.000 0.218 311 G HA3 -0.138 3.822 3.960 0.000 0.000 0.218 311 G C 1.510 176.418 174.900 0.013 0.000 1.154 311 G CA 1.312 46.424 45.100 0.021 0.000 0.767 311 G HN 0.308 nan 8.290 nan 0.000 0.552 312 V N 1.577 121.496 119.914 0.009 0.000 2.295 312 V HA -0.134 3.986 4.120 0.000 0.000 0.246 312 V C 3.343 179.435 176.094 -0.003 0.000 1.049 312 V CA 2.004 64.310 62.300 0.010 0.000 1.024 312 V CB -0.948 30.880 31.823 0.009 0.000 0.648 312 V HN 0.488 nan 8.190 nan 0.000 0.447 313 A N -0.044 122.773 122.820 -0.005 0.000 1.892 313 A HA -0.211 4.109 4.320 0.000 0.000 0.218 313 A C 2.396 179.967 177.584 -0.021 0.000 1.188 313 A CA 2.399 54.429 52.037 -0.012 0.000 0.631 313 A CB -0.868 18.129 19.000 -0.005 0.000 0.822 313 A HN 0.344 nan 8.150 nan 0.000 0.447 314 V N -0.293 119.613 119.914 -0.014 0.000 2.407 314 V HA -0.249 3.871 4.120 0.000 0.000 0.248 314 V C 3.002 179.073 176.094 -0.039 0.000 1.055 314 V CA 1.982 64.270 62.300 -0.020 0.000 1.049 314 V CB -1.195 30.624 31.823 -0.005 0.000 0.662 314 V HN 0.643 nan 8.190 nan 0.000 0.455 315 A N -0.469 122.329 122.820 -0.036 0.000 1.969 315 A HA -0.067 4.253 4.320 0.000 0.000 0.218 315 A C 2.185 179.685 177.584 -0.140 0.000 1.169 315 A CA 1.364 53.362 52.037 -0.066 0.000 0.635 315 A CB -0.412 18.572 19.000 -0.026 0.000 0.810 315 A HN 0.508 nan 8.150 nan 0.000 0.445 316 L N -0.658 120.503 121.223 -0.104 0.000 2.141 316 L HA -0.152 4.188 4.340 0.000 0.000 0.209 316 L C 2.593 179.362 176.870 -0.167 0.000 1.094 316 L CA 1.739 56.498 54.840 -0.136 0.000 0.763 316 L CB -0.362 41.663 42.059 -0.056 0.000 0.908 316 L HN 0.477 nan 8.230 nan 0.000 0.437 317 K N 0.251 120.580 120.400 -0.117 0.000 2.025 317 K HA -0.199 4.121 4.320 0.000 0.000 0.207 317 K C 2.099 178.622 176.600 -0.129 0.000 1.049 317 K CA 1.326 57.552 56.287 -0.101 0.000 0.933 317 K CB 0.013 32.476 32.500 -0.061 0.000 0.714 317 K HN 0.307 nan 8.250 nan 0.000 0.438 318 Q N -0.270 119.447 119.800 -0.140 0.000 2.170 318 Q HA -0.106 4.235 4.340 0.000 0.000 0.203 318 Q C 1.964 177.790 176.000 -0.289 0.000 0.976 318 Q CA 1.397 57.118 55.803 -0.137 0.000 0.858 318 Q CB -0.084 28.600 28.738 -0.090 0.000 0.907 318 Q HN 0.434 nan 8.270 nan 0.000 0.433 319 A N 0.210 122.676 122.820 -0.590 0.000 2.121 319 A HA -0.077 4.243 4.320 0.000 0.000 0.218 319 A C 1.748 179.015 177.584 -0.529 0.000 1.154 319 A CA 0.865 52.167 52.037 -1.225 0.000 0.679 319 A CB -0.224 18.075 19.000 -1.168 0.000 0.795 319 A HN 0.294 nan 8.150 nan 0.000 0.458 320 M N 0.564 120.000 119.600 -0.272 0.000 2.495 320 M HA 0.027 4.507 4.480 0.000 0.000 0.237 320 M C 0.761 177.036 176.300 -0.041 0.000 1.131 320 M CA 0.445 55.662 55.300 -0.138 0.000 1.032 320 M CB -0.171 32.351 32.600 -0.130 0.000 1.513 320 M HN 0.484 nan 8.290 nan 0.000 0.488 321 T N -1.719 112.836 114.554 0.000 0.000 2.904 321 T HA 0.230 4.580 4.350 0.000 0.000 0.290 321 T C -1.634 173.126 174.700 0.100 0.000 1.018 321 T CA -1.650 60.478 62.100 0.048 0.000 1.075 321 T CB 0.968 69.870 68.868 0.056 0.000 0.986 321 T HN 0.003 nan 8.240 nan 0.000 0.523 322 P HA -0.060 nan 4.420 nan 0.000 0.220 322 P C 0.904 178.260 177.300 0.094 0.000 1.148 322 P CA 0.984 64.126 63.100 0.070 0.000 0.803 322 P CB 0.201 31.927 31.700 0.042 0.000 0.782 323 E N -0.661 119.602 120.200 0.105 0.000 2.110 323 E HA -0.130 4.220 4.350 0.000 0.000 0.193 323 E C 1.778 178.478 176.600 0.167 0.000 0.988 323 E CA 0.907 57.374 56.400 0.113 0.000 0.804 323 E CB -1.152 28.605 29.700 0.095 0.000 0.745 323 E HN 0.244 nan 8.360 nan 0.000 0.458 324 F N 1.399 121.387 119.950 0.064 0.000 2.146 324 F HA -0.098 4.429 4.527 0.000 0.000 0.298 324 F C 2.112 177.995 175.800 0.139 0.000 1.096 324 F CA 1.434 59.503 58.000 0.115 0.000 1.275 324 F CB 0.051 39.085 39.000 0.057 0.000 1.008 324 F HN -0.143 nan 8.300 nan 0.000 0.480 325 K N 0.051 120.576 120.400 0.208 0.000 2.103 325 K HA -0.270 4.050 4.320 0.000 0.000 0.207 325 K C 2.105 178.701 176.600 -0.007 0.000 1.048 325 K CA 1.796 58.133 56.287 0.083 0.000 0.930 325 K CB -0.221 32.328 32.500 0.083 0.000 0.716 325 K HN 0.216 nan 8.250 nan 0.000 0.444 326 E N -0.112 120.105 120.200 0.027 0.000 2.106 326 E HA -0.208 4.142 4.350 0.000 0.000 0.192 326 E C 1.765 178.358 176.600 -0.010 0.000 0.984 326 E CA 1.174 57.581 56.400 0.012 0.000 0.806 326 E CB -0.446 29.279 29.700 0.042 0.000 0.750 326 E HN 0.431 nan 8.360 nan 0.000 0.458 327 Y N 0.861 121.074 120.300 -0.145 0.000 2.128 327 Y HA -0.217 4.333 4.550 0.000 0.000 0.284 327 Y C 2.133 177.891 175.900 -0.236 0.000 1.154 327 Y CA 2.217 60.200 58.100 -0.195 0.000 1.149 327 Y CB -0.588 37.688 38.460 -0.307 0.000 0.976 327 Y HN 0.079 nan 8.280 nan 0.000 0.505 328 Q N 0.514 119.989 119.800 -0.543 0.000 2.167 328 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 328 Q C 2.288 178.087 176.000 -0.335 0.000 0.970 328 Q CA 1.617 57.081 55.803 -0.564 0.000 0.855 328 Q CB -0.169 28.342 28.738 -0.378 0.000 0.911 328 Q HN 0.484 nan 8.270 nan 0.000 0.438 329 R N -0.716 119.659 120.500 -0.209 0.000 2.092 329 R HA -0.135 4.205 4.340 0.000 0.000 0.231 329 R C 2.133 178.347 176.300 -0.143 0.000 1.119 329 R CA 1.338 57.358 56.100 -0.133 0.000 0.970 329 R CB -0.139 30.117 30.300 -0.073 0.000 0.864 329 R HN 0.224 nan 8.270 nan 0.000 0.440 330 Q N 0.978 120.685 119.800 -0.156 0.000 2.119 330 Q HA -0.085 4.255 4.340 0.000 0.000 0.201 330 Q C 1.988 177.880 176.000 -0.180 0.000 0.972 330 Q CA 1.315 57.048 55.803 -0.115 0.000 0.847 330 Q CB -0.159 28.552 28.738 -0.046 0.000 0.903 330 Q HN 0.085 nan 8.270 nan 0.000 0.433 331 V N -0.700 119.021 119.914 -0.323 0.000 2.255 331 V HA -0.259 3.861 4.120 0.000 0.000 0.247 331 V C 2.206 178.156 176.094 -0.239 0.000 1.051 331 V CA 1.777 63.879 62.300 -0.329 0.000 1.018 331 V CB -0.593 30.936 31.823 -0.490 0.000 0.641 331 V HN 0.251 nan 8.190 nan 0.000 0.445 332 V N -0.019 119.778 119.914 -0.195 0.000 2.427 332 V HA -0.208 3.912 4.120 0.000 0.000 0.248 332 V C 2.628 178.636 176.094 -0.143 0.000 1.051 332 V CA 1.842 64.058 62.300 -0.140 0.000 1.048 332 V CB -0.940 30.823 31.823 -0.099 0.000 0.666 332 V HN 0.565 nan 8.190 nan 0.000 0.456 333 A N 0.248 122.989 122.820 -0.131 0.000 1.930 333 A HA -0.206 4.114 4.320 0.000 0.000 0.217 333 A C 2.062 179.559 177.584 -0.145 0.000 1.175 333 A CA 1.902 53.877 52.037 -0.103 0.000 0.627 333 A CB -0.603 18.359 19.000 -0.064 0.000 0.815 333 A HN 0.574 nan 8.150 nan 0.000 0.443 334 N N -0.347 118.217 118.700 -0.227 0.000 2.120 334 N HA -0.149 4.591 4.740 0.000 0.000 0.188 334 N C 1.788 176.953 175.510 -0.575 0.000 1.024 334 N CA 1.420 54.203 53.050 -0.446 0.000 0.852 334 N CB -1.016 37.040 38.487 -0.719 0.000 1.003 334 N HN 0.572 nan 8.380 nan 0.000 0.424 335 C N 1.500 120.537 119.300 -0.438 0.000 2.429 335 C HA 0.008 4.468 4.460 0.000 0.000 0.277 335 C C 2.683 177.543 174.990 -0.217 0.000 1.262 335 C CA 0.649 59.467 59.018 -0.333 0.000 1.733 335 C CB -0.833 26.770 27.740 -0.227 0.000 2.010 335 C HN 0.399 nan 8.230 nan 0.000 0.483 336 R N 0.418 120.819 120.500 -0.164 0.000 2.091 336 R HA -0.113 4.227 4.340 0.000 0.000 0.238 336 R C 2.460 178.711 176.300 -0.082 0.000 1.136 336 R CA 1.736 57.774 56.100 -0.104 0.000 0.959 336 R CB -0.515 29.738 30.300 -0.078 0.000 0.856 336 R HN 0.634 nan 8.270 nan 0.000 0.437 337 A N 1.072 123.843 122.820 -0.082 0.000 1.898 337 A HA -0.153 4.167 4.320 0.000 0.000 0.216 337 A C 2.070 179.648 177.584 -0.010 0.000 1.181 337 A CA 1.056 53.078 52.037 -0.024 0.000 0.620 337 A CB -0.495 18.516 19.000 0.018 0.000 0.819 337 A HN 0.264 nan 8.150 nan 0.000 0.442 338 L N -0.213 120.979 121.223 -0.053 0.000 2.042 338 L HA -0.113 4.227 4.340 0.000 0.000 0.210 338 L C 2.541 179.390 176.870 -0.036 0.000 1.076 338 L CA 2.671 57.508 54.840 -0.004 0.000 0.749 338 L CB -0.769 41.260 42.059 -0.051 0.000 0.893 338 L HN 0.327 nan 8.230 nan 0.000 0.432 339 S N -0.908 114.750 115.700 -0.069 0.000 2.368 339 S HA -0.126 4.344 4.470 0.000 0.000 0.224 339 S C 2.153 176.730 174.600 -0.038 0.000 1.029 339 S CA 1.129 59.292 58.200 -0.062 0.000 0.988 339 S CB -0.480 62.675 63.200 -0.075 0.000 0.838 339 S HN 0.677 nan 8.310 nan 0.000 0.462 340 A N 1.433 124.235 122.820 -0.030 0.000 1.883 340 A HA 0.131 4.451 4.320 0.000 0.000 0.217 340 A C 2.455 180.034 177.584 -0.009 0.000 1.186 340 A CA 1.959 53.986 52.037 -0.016 0.000 0.624 340 A CB -1.405 17.589 19.000 -0.011 0.000 0.822 340 A HN 0.752 nan 8.150 nan 0.000 0.444 341 A N -0.500 122.318 122.820 -0.003 0.000 1.933 341 A HA -0.024 4.296 4.320 0.000 0.000 0.218 341 A C 2.157 179.712 177.584 -0.050 0.000 1.175 341 A CA 1.507 53.542 52.037 -0.004 0.000 0.628 341 A CB -0.530 18.489 19.000 0.032 0.000 0.814 341 A HN 0.480 nan 8.150 nan 0.000 0.444 342 L N -0.869 120.322 121.223 -0.053 0.000 2.109 342 L HA -0.098 4.242 4.340 0.000 0.000 0.207 342 L C 2.469 179.376 176.870 0.063 0.000 1.086 342 L CA 0.600 55.407 54.840 -0.054 0.000 0.760 342 L CB -0.391 41.590 42.059 -0.130 0.000 0.910 342 L HN 0.229 nan 8.230 nan 0.000 0.437 343 V N 0.082 120.012 119.914 0.027 0.000 2.343 343 V HA -0.308 3.812 4.120 0.000 0.000 0.247 343 V C 2.471 178.569 176.094 0.007 0.000 1.051 343 V CA 2.008 64.325 62.300 0.029 0.000 1.036 343 V CB -0.409 31.417 31.823 0.005 0.000 0.654 343 V HN 0.515 nan 8.190 nan 0.000 0.451 344 E N -0.121 120.073 120.200 -0.011 0.000 2.209 344 E HA -0.211 4.139 4.350 0.000 0.000 0.196 344 E C 1.865 178.431 176.600 -0.057 0.000 0.993 344 E CA 1.088 57.473 56.400 -0.026 0.000 0.819 344 E CB -0.079 29.610 29.700 -0.017 0.000 0.745 344 E HN 0.582 nan 8.360 nan 0.000 0.477 345 L N -0.599 120.580 121.223 -0.074 0.000 2.612 345 L HA 0.185 4.525 4.340 0.000 0.000 0.230 345 L C 1.258 178.051 176.870 -0.128 0.000 1.140 345 L CA 0.417 55.160 54.840 -0.163 0.000 0.896 345 L CB 0.375 42.259 42.059 -0.291 0.000 1.065 345 L HN 0.385 nan 8.230 nan 0.000 0.447 346 G N -1.432 107.325 108.800 -0.071 0.000 2.141 346 G HA2 -0.303 3.657 3.960 0.000 0.000 0.242 346 G HA3 -0.303 3.657 3.960 0.000 0.000 0.242 346 G C -0.098 174.687 174.900 -0.192 0.000 0.982 346 G CA -0.485 44.535 45.100 -0.133 0.000 0.662 346 G HN 0.219 nan 8.290 nan 0.000 0.527 347 Y N -0.023 120.238 120.300 -0.065 0.000 2.301 347 Y HA 0.604 5.155 4.550 0.000 0.000 0.325 347 Y C 0.708 176.585 175.900 -0.039 0.000 1.203 347 Y CA -0.525 57.550 58.100 -0.042 0.000 1.255 347 Y CB 1.189 39.625 38.460 -0.040 0.000 1.232 347 Y HN 0.089 nan 8.280 nan 0.000 0.501 348 K N 3.213 123.676 120.400 0.106 0.000 2.211 348 K HA 0.423 4.743 4.320 0.000 0.000 0.275 348 K C -1.554 175.075 176.600 0.048 0.000 1.024 348 K CA -0.174 56.142 56.287 0.047 0.000 0.887 348 K CB 0.283 32.792 32.500 0.015 0.000 1.084 348 K HN 0.464 nan 8.250 nan 0.000 0.463 349 I N 5.193 125.772 120.570 0.014 0.000 2.377 349 I HA 0.252 4.422 4.170 0.000 0.000 0.293 349 I C -0.161 175.930 176.117 -0.042 0.000 0.987 349 I CA -1.130 60.158 61.300 -0.019 0.000 1.185 349 I CB 1.511 39.489 38.000 -0.037 0.000 1.341 349 I HN 0.362 nan 8.210 nan 0.000 0.455 350 V N 5.855 125.731 119.914 -0.064 0.000 2.673 350 V HA 0.090 4.210 4.120 0.000 0.000 0.303 350 V C 1.315 177.326 176.094 -0.137 0.000 1.046 350 V CA 1.089 63.338 62.300 -0.085 0.000 1.126 350 V CB 0.429 32.195 31.823 -0.094 0.000 0.934 350 V HN 1.110 nan 8.190 nan 0.000 0.487 351 T N 1.033 115.518 114.554 -0.117 0.000 6.885 351 T HA -0.243 4.107 4.350 0.000 0.000 0.286 351 T C 1.470 176.145 174.700 -0.041 0.000 2.119 351 T CA 1.415 63.438 62.100 -0.128 0.000 3.358 351 T CB -1.981 66.616 68.868 -0.451 0.000 1.764 351 T HN 2.648 nan 8.240 nan 0.000 1.202 352 G N -0.393 108.384 108.800 -0.038 0.000 2.257 352 G HA2 0.232 4.192 3.960 0.000 0.000 0.267 352 G HA3 0.232 4.192 3.960 0.000 0.000 0.267 352 G C 1.314 176.191 174.900 -0.038 0.000 0.984 352 G CA 0.844 45.932 45.100 -0.020 0.000 0.626 352 G HN 2.444 nan 8.290 nan 0.000 0.540 353 G N -1.971 106.785 108.800 -0.073 0.000 2.450 353 G HA2 0.739 4.699 3.960 0.000 0.000 0.273 353 G HA3 0.739 4.699 3.960 0.000 0.000 0.273 353 G C -0.775 174.046 174.900 -0.132 0.000 1.221 353 G CA 0.911 45.961 45.100 -0.084 0.000 0.900 353 G HN 1.710 nan 8.290 nan 0.000 0.483 354 S N -1.512 114.117 115.700 -0.119 0.000 2.570 354 S HA 0.599 5.069 4.470 0.000 0.000 0.270 354 S C -1.200 173.340 174.600 -0.101 0.000 1.149 354 S CA -0.169 57.944 58.200 -0.146 0.000 0.837 354 S CB 2.013 65.119 63.200 -0.156 0.000 1.124 354 S HN 0.393 nan 8.310 nan 0.000 0.465 355 D N 1.152 121.495 120.400 -0.095 0.000 2.441 355 D HA 0.206 4.847 4.640 0.000 0.000 0.210 355 D C 0.328 176.615 176.300 -0.021 0.000 1.102 355 D CA 0.334 54.308 54.000 -0.044 0.000 0.840 355 D CB 0.235 41.024 40.800 -0.019 0.000 0.990 355 D HN 0.641 nan 8.370 nan 0.000 0.505 356 N N -0.512 118.172 118.700 -0.027 0.000 3.492 356 N HA -0.018 4.722 4.740 0.000 0.000 0.352 356 N C 0.962 176.493 175.510 0.034 0.000 1.517 356 N CA -0.356 52.727 53.050 0.055 0.000 0.629 356 N CB -0.337 38.268 38.487 0.197 0.000 2.162 356 N HN -0.163 nan 8.380 nan 0.000 0.598 357 H N -0.780 118.250 119.070 -0.067 0.000 2.547 357 H HA 0.331 4.887 4.556 0.000 0.000 0.266 357 H C -0.016 175.268 175.328 -0.074 0.000 0.988 357 H CA -0.058 55.940 56.048 -0.083 0.000 1.147 357 H CB -0.596 29.140 29.762 -0.042 0.000 1.365 357 H HN 0.514 nan 8.280 nan 0.000 0.589 358 L N -0.606 120.328 121.223 -0.483 0.000 2.397 358 L HA 0.702 5.042 4.340 0.000 0.000 0.251 358 L C -0.800 175.912 176.870 -0.263 0.000 1.064 358 L CA -1.724 52.885 54.840 -0.386 0.000 0.859 358 L CB 2.184 43.936 42.059 -0.510 0.000 1.468 358 L HN 0.060 nan 8.230 nan 0.000 0.411 359 I N -1.202 119.248 120.570 -0.200 0.000 2.913 359 I HA 0.693 4.863 4.170 0.000 0.000 0.302 359 I C -1.748 174.290 176.117 -0.131 0.000 1.246 359 I CA -1.048 60.154 61.300 -0.164 0.000 1.010 359 I CB 2.338 40.258 38.000 -0.133 0.000 1.259 359 I HN 0.695 nan 8.210 nan 0.000 0.434 360 L N 5.623 126.774 121.223 -0.120 0.000 2.280 360 L HA 0.592 4.932 4.340 0.000 0.000 0.287 360 L C -0.905 175.928 176.870 -0.061 0.000 1.023 360 L CA -0.390 54.398 54.840 -0.088 0.000 0.819 360 L CB 1.488 43.494 42.059 -0.088 0.000 1.212 360 L HN 0.513 nan 8.230 nan 0.000 0.420 361 V N 4.489 124.378 119.914 -0.041 0.000 2.383 361 V HA 0.263 4.383 4.120 0.000 0.000 0.275 361 V C -0.124 175.986 176.094 0.026 0.000 1.036 361 V CA -0.630 61.668 62.300 -0.004 0.000 0.889 361 V CB 1.173 32.985 31.823 -0.018 0.000 0.985 361 V HN 0.684 nan 8.190 nan 0.000 0.459 362 D N 4.569 124.992 120.400 0.039 0.000 2.352 362 D HA 0.192 4.833 4.640 0.000 0.000 0.245 362 D C 0.843 177.183 176.300 0.068 0.000 1.224 362 D CA -0.026 53.994 54.000 0.033 0.000 0.879 362 D CB 1.136 41.944 40.800 0.013 0.000 1.057 362 D HN 0.479 nan 8.370 nan 0.000 0.491 363 L N 3.517 124.778 121.223 0.065 0.000 2.610 363 L HA 0.084 4.425 4.340 0.000 0.000 0.232 363 L C 2.265 179.148 176.870 0.022 0.000 1.149 363 L CA 0.077 54.967 54.840 0.083 0.000 0.872 363 L CB -0.023 42.083 42.059 0.079 0.000 0.992 363 L HN 0.255 nan 8.230 nan 0.000 0.447 364 R N 0.198 120.700 120.500 0.003 0.000 2.152 364 R HA -0.119 4.222 4.340 0.000 0.000 0.232 364 R C 2.400 178.682 176.300 -0.030 0.000 1.117 364 R CA 1.469 57.560 56.100 -0.015 0.000 0.981 364 R CB -0.190 30.101 30.300 -0.015 0.000 0.870 364 R HN 0.423 nan 8.270 nan 0.000 0.451 365 S N 0.208 115.884 115.700 -0.039 0.000 2.584 365 S HA -0.015 4.455 4.470 0.000 0.000 0.240 365 S C 1.152 175.675 174.600 -0.130 0.000 0.975 365 S CA 0.799 58.952 58.200 -0.079 0.000 0.949 365 S CB 0.187 63.333 63.200 -0.090 0.000 0.761 365 S HN 0.107 nan 8.310 nan 0.000 0.536 366 K N -0.005 120.334 120.400 -0.103 0.000 2.520 366 K HA 0.298 4.618 4.320 0.000 0.000 0.206 366 K C 0.942 177.514 176.600 -0.046 0.000 1.122 366 K CA 0.446 56.669 56.287 -0.107 0.000 1.045 366 K CB 0.584 33.008 32.500 -0.127 0.000 0.932 366 K HN 0.431 nan 8.250 nan 0.000 0.571 367 G N 2.055 110.834 108.800 -0.035 0.000 2.176 367 G HA2 -0.266 3.694 3.960 0.000 0.000 0.252 367 G HA3 -0.266 3.694 3.960 0.000 0.000 0.252 367 G C 0.206 175.094 174.900 -0.020 0.000 1.024 367 G CA 1.281 46.367 45.100 -0.024 0.000 0.755 367 G HN 0.370 nan 8.290 nan 0.000 0.507 368 T N -0.682 113.860 114.554 -0.020 0.000 2.669 368 T HA 0.654 5.004 4.350 0.000 0.000 0.283 368 T C -1.546 173.128 174.700 -0.044 0.000 1.019 368 T CA 0.323 62.402 62.100 -0.035 0.000 1.039 368 T CB 1.742 70.598 68.868 -0.020 0.000 1.374 368 T HN 0.532 nan 8.240 nan 0.000 0.523 369 D N -0.911 119.442 120.400 -0.078 0.000 2.552 369 D HA 0.338 4.978 4.640 0.000 0.000 0.239 369 D C 1.077 177.329 176.300 -0.080 0.000 1.139 369 D CA -0.459 53.497 54.000 -0.073 0.000 0.914 369 D CB 1.232 41.977 40.800 -0.092 0.000 1.461 369 D HN 0.723 nan 8.370 nan 0.000 0.462 370 G N 0.058 108.824 108.800 -0.057 0.000 2.442 370 G HA2 -0.180 3.780 3.960 0.000 0.000 0.219 370 G HA3 -0.180 3.780 3.960 0.000 0.000 0.219 370 G C 1.347 176.204 174.900 -0.072 0.000 1.141 370 G CA 1.148 46.219 45.100 -0.048 0.000 0.763 370 G HN 0.611 nan 8.290 nan 0.000 0.554 371 G N 0.628 109.369 108.800 -0.099 0.000 2.440 371 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 371 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 371 G C 1.989 176.778 174.900 -0.184 0.000 1.154 371 G CA 0.923 45.953 45.100 -0.117 0.000 0.767 371 G HN 0.487 nan 8.290 nan 0.000 0.552 372 R N 0.274 120.573 120.500 -0.336 0.000 2.100 372 R HA 0.285 4.625 4.340 0.000 0.000 0.220 372 R C 3.017 179.208 176.300 -0.183 0.000 1.091 372 R CA 0.784 56.517 56.100 -0.612 0.000 0.986 372 R CB -0.300 29.251 30.300 -1.248 0.000 0.888 372 R HN 0.310 nan 8.270 nan 0.000 0.444 373 A N 2.369 125.126 122.820 -0.104 0.000 1.902 373 A HA -0.246 4.074 4.320 0.000 0.000 0.217 373 A C 2.098 179.699 177.584 0.028 0.000 1.181 373 A CA 1.840 53.878 52.037 0.000 0.000 0.623 373 A CB -0.510 18.492 19.000 0.004 0.000 0.818 373 A HN 0.550 nan 8.150 nan 0.000 0.443 374 E N -0.574 119.631 120.200 0.008 0.000 2.153 374 E HA -0.232 4.118 4.350 0.000 0.000 0.194 374 E C 1.633 178.262 176.600 0.050 0.000 0.988 374 E CA 1.261 57.675 56.400 0.024 0.000 0.811 374 E CB -0.190 29.516 29.700 0.010 0.000 0.746 374 E HN 0.327 nan 8.360 nan 0.000 0.466 375 K N 0.916 121.363 120.400 0.078 0.000 2.057 375 K HA -0.027 4.293 4.320 0.000 0.000 0.206 375 K C 2.321 178.992 176.600 0.119 0.000 1.050 375 K CA 1.035 57.392 56.287 0.118 0.000 0.935 375 K CB -0.487 32.135 32.500 0.204 0.000 0.715 375 K HN 0.133 nan 8.250 nan 0.000 0.439 376 V N 2.014 122.018 119.914 0.150 0.000 2.307 376 V HA -0.202 3.918 4.120 0.000 0.000 0.245 376 V C 2.486 178.620 176.094 0.067 0.000 1.045 376 V CA 1.416 63.782 62.300 0.110 0.000 1.024 376 V CB -0.521 31.383 31.823 0.135 0.000 0.651 376 V HN 0.159 nan 8.190 nan 0.000 0.449 377 L N -0.097 121.163 121.223 0.062 0.000 2.079 377 L HA -0.221 4.119 4.340 0.000 0.000 0.210 377 L C 2.617 179.509 176.870 0.036 0.000 1.081 377 L CA 1.918 56.785 54.840 0.046 0.000 0.752 377 L CB -0.576 41.509 42.059 0.043 0.000 0.896 377 L HN 0.450 nan 8.230 nan 0.000 0.433 378 E N 0.501 120.725 120.200 0.040 0.000 2.077 378 E HA -0.245 4.105 4.350 0.000 0.000 0.193 378 E C 2.195 178.810 176.600 0.025 0.000 0.989 378 E CA 1.183 57.602 56.400 0.033 0.000 0.800 378 E CB -0.002 29.721 29.700 0.037 0.000 0.746 378 E HN 0.469 nan 8.360 nan 0.000 0.452 379 A N 0.061 122.898 122.820 0.029 0.000 2.125 379 A HA -0.137 4.183 4.320 0.000 0.000 0.219 379 A C 2.044 179.633 177.584 0.010 0.000 1.156 379 A CA 1.067 53.115 52.037 0.019 0.000 0.671 379 A CB -0.384 18.628 19.000 0.020 0.000 0.794 379 A HN 0.449 nan 8.150 nan 0.000 0.459 380 C N -0.486 118.820 119.300 0.009 0.000 2.693 380 C HA 0.400 4.860 4.460 0.000 0.000 0.286 380 C C 1.352 176.327 174.990 -0.025 0.000 1.277 380 C CA 0.332 59.345 59.018 -0.009 0.000 1.705 380 C CB -1.497 26.241 27.740 -0.004 0.000 1.879 380 C HN 0.621 nan 8.230 nan 0.000 0.607 381 S N 0.318 116.013 115.700 -0.008 0.000 3.490 381 S HA -0.180 4.290 4.470 0.000 0.000 0.301 381 S C -0.078 174.523 174.600 0.002 0.000 1.233 381 S CA 0.579 58.775 58.200 -0.006 0.000 0.914 381 S CB -1.510 61.678 63.200 -0.020 0.000 1.047 381 S HN 0.749 nan 8.310 nan 0.000 0.602 382 I N 1.639 122.215 120.570 0.011 0.000 2.359 382 I HA 0.533 4.703 4.170 0.000 0.000 0.284 382 I C 0.387 176.527 176.117 0.038 0.000 1.018 382 I CA -0.342 60.976 61.300 0.029 0.000 1.173 382 I CB 1.341 39.362 38.000 0.035 0.000 1.326 382 I HN 0.320 nan 8.210 nan 0.000 0.462 383 A N 6.566 129.413 122.820 0.046 0.000 2.301 383 A HA 0.740 5.060 4.320 0.000 0.000 0.298 383 A C -0.121 177.491 177.584 0.046 0.000 1.185 383 A CA -0.298 51.765 52.037 0.043 0.000 0.830 383 A CB 0.420 19.447 19.000 0.044 0.000 1.112 383 A HN 0.969 nan 8.150 nan 0.000 0.508 384 C N 1.410 120.732 119.300 0.037 0.000 3.249 384 C HA 0.837 5.297 4.460 0.000 0.000 0.350 384 C C -1.224 173.779 174.990 0.023 0.000 1.431 384 C CA -0.761 58.276 59.018 0.032 0.000 1.209 384 C CB 1.365 29.122 27.740 0.027 0.000 1.546 384 C HN 1.046 nan 8.230 nan 0.000 0.450 385 N N 0.100 118.809 118.700 0.015 0.000 2.357 385 N HA 0.448 5.188 4.740 0.000 0.000 0.284 385 N C -1.399 174.108 175.510 -0.006 0.000 1.236 385 N CA -0.594 52.461 53.050 0.008 0.000 0.774 385 N CB 2.002 40.496 38.487 0.013 0.000 1.534 385 N HN 1.023 nan 8.380 nan 0.000 0.478 386 K N 0.315 120.708 120.400 -0.013 0.000 2.180 386 K HA 0.356 4.676 4.320 0.000 0.000 0.251 386 K C -0.848 175.735 176.600 -0.029 0.000 1.014 386 K CA -0.422 55.850 56.287 -0.024 0.000 0.913 386 K CB 0.514 32.995 32.500 -0.031 0.000 1.008 386 K HN 0.709 nan 8.250 nan 0.000 0.490 387 N N -0.481 118.198 118.700 -0.035 0.000 2.710 387 N HA 0.083 4.823 4.740 0.000 0.000 0.257 387 N C -1.830 173.657 175.510 -0.040 0.000 1.140 387 N CA -0.528 52.497 53.050 -0.042 0.000 0.953 387 N CB 1.806 40.267 38.487 -0.044 0.000 1.664 387 N HN 0.824 nan 8.380 nan 0.000 0.497 388 T N -0.400 114.128 114.554 -0.043 0.000 2.898 388 T HA 0.409 4.759 4.350 0.000 0.000 0.301 388 T C 0.211 174.892 174.700 -0.032 0.000 1.049 388 T CA -0.302 61.776 62.100 -0.036 0.000 1.095 388 T CB 0.149 68.996 68.868 -0.036 0.000 0.976 388 T HN 0.422 nan 8.240 nan 0.000 0.539 389 C N 4.056 123.341 119.300 -0.025 0.000 2.358 389 C HA 0.442 4.902 4.460 0.000 0.000 0.354 389 C C -0.656 174.325 174.990 -0.016 0.000 1.183 389 C CA -1.223 57.782 59.018 -0.021 0.000 2.150 389 C CB 1.142 28.871 27.740 -0.018 0.000 2.361 389 C HN 0.730 nan 8.230 nan 0.000 0.535 390 P HA -0.142 nan 4.420 nan 0.000 0.218 390 P C 1.422 178.719 177.300 -0.004 0.000 1.154 390 P CA 2.198 65.296 63.100 -0.004 0.000 0.872 390 P CB 0.056 31.760 31.700 0.007 0.000 0.790 391 G N -0.504 108.294 108.800 -0.004 0.000 2.637 391 G HA2 -0.177 3.783 3.960 0.000 0.000 0.215 391 G HA3 -0.177 3.783 3.960 0.000 0.000 0.215 391 G C -0.212 174.684 174.900 -0.007 0.000 1.289 391 G CA 0.456 45.554 45.100 -0.004 0.000 0.816 391 G HN 0.157 nan 8.290 nan 0.000 0.580 392 D N -0.154 120.240 120.400 -0.010 0.000 7.675 392 D HA -0.093 4.548 4.640 0.000 0.000 0.092 392 D C 0.639 176.933 176.300 -0.009 0.000 0.970 392 D CA 0.778 54.771 54.000 -0.012 0.000 0.840 392 D CB 0.227 41.017 40.800 -0.016 0.000 1.604 392 D HN 0.184 nan 8.370 nan 0.000 0.906 393 K N 0.498 120.893 120.400 -0.009 0.000 2.446 393 K HA 0.282 4.602 4.320 0.000 0.000 0.203 393 K C -0.174 176.422 176.600 -0.006 0.000 1.027 393 K CA -0.196 56.087 56.287 -0.006 0.000 1.166 393 K CB 0.801 33.297 32.500 -0.006 0.000 0.869 393 K HN 0.254 nan 8.250 nan 0.000 0.504 394 S N -1.172 114.523 115.700 -0.008 0.000 2.563 394 S HA 0.562 5.032 4.470 0.000 0.000 0.279 394 S C -0.317 174.278 174.600 -0.009 0.000 1.155 394 S CA -0.385 57.810 58.200 -0.007 0.000 0.928 394 S CB 1.049 64.243 63.200 -0.009 0.000 1.107 394 S HN 0.062 nan 8.310 nan 0.000 0.462 395 A N 4.153 126.971 122.820 -0.003 0.000 2.178 395 A HA 0.270 4.590 4.320 0.000 0.000 0.211 395 A C 1.344 178.921 177.584 -0.010 0.000 1.157 395 A CA 0.359 52.393 52.037 -0.006 0.000 0.780 395 A CB -0.216 18.789 19.000 0.009 0.000 0.828 395 A HN 0.711 nan 8.150 nan 0.000 0.476 396 L N -0.909 120.309 121.223 -0.009 0.000 2.599 396 L HA 0.202 4.542 4.340 0.000 0.000 0.230 396 L C 1.271 178.125 176.870 -0.027 0.000 1.141 396 L CA 1.001 55.833 54.840 -0.012 0.000 0.877 396 L CB -0.878 41.177 42.059 -0.006 0.000 1.009 396 L HN 0.512 nan 8.230 nan 0.000 0.447 397 R N 1.332 121.813 120.500 -0.031 0.000 2.627 397 R HA 0.219 4.559 4.340 0.000 0.000 0.251 397 R C -2.601 173.673 176.300 -0.042 0.000 1.524 397 R CA -1.093 54.980 56.100 -0.045 0.000 1.606 397 R CB 1.023 31.298 30.300 -0.042 0.000 1.396 397 R HN -0.118 nan 8.270 nan 0.000 0.724 398 P HA 0.029 nan 4.420 nan 0.000 0.264 398 P C -0.026 177.251 177.300 -0.039 0.000 1.193 398 P CA 0.283 63.360 63.100 -0.038 0.000 0.763 398 P CB 1.720 33.396 31.700 -0.040 0.000 0.810 399 S N 1.496 117.178 115.700 -0.030 0.000 2.470 399 S HA 0.098 4.568 4.470 0.000 0.000 0.225 399 S C 1.228 175.819 174.600 -0.015 0.000 1.006 399 S CA 0.787 58.973 58.200 -0.023 0.000 0.934 399 S CB -0.064 63.125 63.200 -0.017 0.000 0.778 399 S HN 0.753 nan 8.310 nan 0.000 0.517 400 G N 0.165 108.954 108.800 -0.019 0.000 2.597 400 G HA2 0.702 4.662 3.960 0.000 0.000 0.317 400 G HA3 0.702 4.662 3.960 0.000 0.000 0.317 400 G C -1.344 173.545 174.900 -0.019 0.000 1.230 400 G CA -0.642 44.450 45.100 -0.013 0.000 0.996 400 G HN 0.245 nan 8.290 nan 0.000 0.490 401 L N 0.280 121.493 121.223 -0.018 0.000 2.385 401 L HA 0.508 4.848 4.340 0.000 0.000 0.273 401 L C 0.109 176.958 176.870 -0.034 0.000 0.990 401 L CA -0.814 54.013 54.840 -0.022 0.000 0.821 401 L CB 2.324 44.372 42.059 -0.018 0.000 1.279 401 L HN 0.489 nan 8.230 nan 0.000 0.412 402 R N 4.215 124.695 120.500 -0.033 0.000 2.254 402 R HA 0.686 5.026 4.340 0.000 0.000 0.318 402 R C -1.574 174.706 176.300 -0.033 0.000 1.031 402 R CA -0.434 55.639 56.100 -0.047 0.000 0.905 402 R CB 0.778 31.050 30.300 -0.045 0.000 1.050 402 R HN 0.565 nan 8.270 nan 0.000 0.456 403 L N 3.502 124.695 121.223 -0.050 0.000 2.385 403 L HA 0.621 4.961 4.340 0.000 0.000 0.273 403 L C 0.189 177.032 176.870 -0.045 0.000 0.990 403 L CA -0.942 53.883 54.840 -0.024 0.000 0.821 403 L CB 2.305 44.351 42.059 -0.023 0.000 1.279 403 L HN 0.801 nan 8.230 nan 0.000 0.412 404 G N -0.599 108.206 108.800 0.008 0.000 2.519 404 G HA2 0.508 4.468 3.960 0.000 0.000 0.307 404 G HA3 0.508 4.468 3.960 0.000 0.000 0.307 404 G C 0.310 175.253 174.900 0.071 0.000 1.266 404 G CA -0.032 45.074 45.100 0.009 0.000 0.970 404 G HN 0.605 nan 8.290 nan 0.000 0.481 405 T N -1.916 112.658 114.554 0.033 0.000 3.023 405 T HA 0.247 4.597 4.350 0.000 0.000 0.253 405 T C -0.829 173.958 174.700 0.144 0.000 1.038 405 T CA -0.008 62.120 62.100 0.047 0.000 0.962 405 T CB 0.292 68.951 68.868 -0.349 0.000 1.018 405 T HN 0.232 nan 8.240 nan 0.000 0.521 406 P HA -0.075 nan 4.420 nan 0.000 0.214 406 P C 1.917 179.372 177.300 0.259 0.000 1.163 406 P CA 1.903 65.104 63.100 0.169 0.000 0.889 406 P CB -0.336 31.451 31.700 0.145 0.000 0.790 407 A N -0.641 122.283 122.820 0.174 0.000 1.851 407 A HA -0.201 4.119 4.320 0.000 0.000 0.216 407 A C 2.293 180.085 177.584 0.347 0.000 1.195 407 A CA 1.767 53.897 52.037 0.155 0.000 0.622 407 A CB -1.742 17.237 19.000 -0.035 0.000 0.831 407 A HN 0.109 nan 8.150 nan 0.000 0.444 408 L N -0.713 120.682 121.223 0.286 0.000 2.131 408 L HA -0.140 4.200 4.340 0.000 0.000 0.210 408 L C 2.649 179.632 176.870 0.187 0.000 1.092 408 L CA 1.613 56.558 54.840 0.176 0.000 0.759 408 L CB -0.648 41.448 42.059 0.063 0.000 0.903 408 L HN 0.380 nan 8.230 nan 0.000 0.435 409 T N -1.514 113.245 114.554 0.342 0.000 2.915 409 T HA -0.116 4.234 4.350 0.000 0.000 0.269 409 T C 2.038 176.968 174.700 0.382 0.000 1.071 409 T CA 1.265 63.569 62.100 0.340 0.000 1.132 409 T CB 0.012 69.025 68.868 0.242 0.000 0.878 409 T HN 0.222 nan 8.240 nan 0.000 0.479 410 S N 0.858 116.800 115.700 0.404 0.000 2.481 410 S HA 0.049 4.519 4.470 0.000 0.000 0.231 410 S C 1.824 176.503 174.600 0.132 0.000 0.996 410 S CA 0.520 58.846 58.200 0.210 0.000 0.942 410 S CB -0.058 63.258 63.200 0.193 0.000 0.768 410 S HN 0.442 nan 8.310 nan 0.000 0.520 411 R N 0.098 120.671 120.500 0.121 0.000 2.317 411 R HA 0.196 4.536 4.340 0.000 0.000 0.208 411 R C 1.410 177.746 176.300 0.061 0.000 0.914 411 R CA 0.535 56.648 56.100 0.022 0.000 1.060 411 R CB 0.220 30.478 30.300 -0.071 0.000 1.015 411 R HN 0.417 nan 8.270 nan 0.000 0.498 412 G N 0.857 109.711 108.800 0.089 0.000 2.176 412 G HA2 -0.221 3.739 3.960 0.000 0.000 0.232 412 G HA3 -0.221 3.739 3.960 0.000 0.000 0.232 412 G C 0.172 175.135 174.900 0.105 0.000 0.986 412 G CA -0.503 44.678 45.100 0.137 0.000 0.643 412 G HN 0.102 nan 8.290 nan 0.000 0.522 413 L N 0.660 121.819 121.223 -0.106 0.000 2.485 413 L HA 0.426 4.766 4.340 0.000 0.000 0.275 413 L C 1.194 178.151 176.870 0.145 0.000 1.207 413 L CA 0.531 55.270 54.840 -0.168 0.000 0.855 413 L CB 0.448 42.181 42.059 -0.545 0.000 1.114 413 L HN 0.158 nan 8.230 nan 0.000 0.485 414 L N 1.543 122.878 121.223 0.188 0.000 2.267 414 L HA 0.293 4.633 4.340 0.000 0.000 0.264 414 L C 1.198 178.246 176.870 0.295 0.000 1.021 414 L CA -0.794 54.182 54.840 0.228 0.000 0.861 414 L CB 0.973 43.131 42.059 0.165 0.000 1.443 414 L HN 0.450 nan 8.230 nan 0.000 0.475 415 E N 0.092 120.422 120.200 0.218 0.000 2.086 415 E HA -0.237 4.113 4.350 0.000 0.000 0.200 415 E C 1.681 178.399 176.600 0.197 0.000 1.012 415 E CA 1.816 58.337 56.400 0.200 0.000 0.812 415 E CB -0.105 29.658 29.700 0.105 0.000 0.743 415 E HN 0.351 nan 8.360 nan 0.000 0.453 416 K N 0.442 120.933 120.400 0.151 0.000 2.147 416 K HA -0.137 4.183 4.320 0.000 0.000 0.205 416 K C 1.475 178.162 176.600 0.144 0.000 1.049 416 K CA 1.307 57.667 56.287 0.122 0.000 0.936 416 K CB -0.029 32.531 32.500 0.099 0.000 0.722 416 K HN 0.200 nan 8.250 nan 0.000 0.446 417 D N 0.274 120.791 120.400 0.195 0.000 2.149 417 D HA -0.111 4.530 4.640 0.000 0.000 0.201 417 D C 1.626 177.971 176.300 0.075 0.000 0.972 417 D CA 1.052 55.190 54.000 0.229 0.000 0.835 417 D CB -0.140 40.773 40.800 0.189 0.000 0.966 417 D HN 0.122 nan 8.370 nan 0.000 0.476 418 F N 1.547 121.567 119.950 0.117 0.000 2.502 418 F HA -0.029 4.498 4.527 0.000 0.000 0.298 418 F C 2.502 178.329 175.800 0.046 0.000 1.111 418 F CA 0.725 58.771 58.000 0.077 0.000 1.445 418 F CB -0.047 38.978 39.000 0.042 0.000 1.081 418 F HN -0.080 nan 8.300 nan 0.000 0.558 419 Q N -0.302 119.602 119.800 0.173 0.000 2.187 419 Q HA -0.160 4.180 4.340 0.000 0.000 0.199 419 Q C 2.130 178.164 176.000 0.056 0.000 0.957 419 Q CA 0.966 56.840 55.803 0.119 0.000 0.857 419 Q CB -0.143 28.644 28.738 0.081 0.000 0.929 419 Q HN 0.346 nan 8.270 nan 0.000 0.453 420 K N 0.560 120.900 120.400 -0.100 0.000 2.103 420 K HA -0.084 4.236 4.320 0.000 0.000 0.204 420 K C 1.984 178.339 176.600 -0.408 0.000 1.052 420 K CA 0.665 56.712 56.287 -0.399 0.000 0.945 420 K CB 0.166 32.311 32.500 -0.592 0.000 0.722 420 K HN -0.017 nan 8.250 nan 0.000 0.443 421 V N 1.316 121.155 119.914 -0.123 0.000 2.332 421 V HA -0.271 3.849 4.120 0.000 0.000 0.248 421 V C 2.341 178.498 176.094 0.104 0.000 1.055 421 V CA 2.016 64.373 62.300 0.094 0.000 1.038 421 V CB -0.635 31.235 31.823 0.079 0.000 0.651 421 V HN 0.456 nan 8.190 nan 0.000 0.450 422 A N -0.753 122.114 122.820 0.078 0.000 1.908 422 A HA -0.284 4.037 4.320 0.000 0.000 0.218 422 A C 1.996 179.565 177.584 -0.025 0.000 1.181 422 A CA 2.308 54.358 52.037 0.022 0.000 0.627 422 A CB -0.781 18.223 19.000 0.006 0.000 0.818 422 A HN 0.685 nan 8.150 nan 0.000 0.445 423 H N -1.951 117.052 119.070 -0.111 0.000 2.389 423 H HA 0.012 4.568 4.556 0.000 0.000 0.299 423 H C 1.644 176.966 175.328 -0.010 0.000 1.081 423 H CA 1.665 57.664 56.048 -0.082 0.000 1.345 423 H CB -0.276 29.353 29.762 -0.221 0.000 1.393 423 H HN 0.510 nan 8.280 nan 0.000 0.520 424 F N 0.159 120.160 119.950 0.086 0.000 2.134 424 F HA -0.119 4.408 4.527 0.000 0.000 0.299 424 F C 2.282 178.103 175.800 0.034 0.000 1.097 424 F CA 0.889 58.910 58.000 0.035 0.000 1.264 424 F CB -0.757 38.239 39.000 -0.007 0.000 1.001 424 F HN 0.129 nan 8.300 nan 0.000 0.479 425 I N -0.932 119.766 120.570 0.213 0.000 2.226 425 I HA -0.335 3.835 4.170 0.000 0.000 0.245 425 I C 2.523 178.688 176.117 0.079 0.000 1.100 425 I CA 1.641 62.999 61.300 0.097 0.000 1.374 425 I CB -0.559 37.447 38.000 0.010 0.000 1.057 425 I HN 0.144 nan 8.210 nan 0.000 0.413 426 H N 1.604 120.658 119.070 -0.027 0.000 2.353 426 H HA -0.109 4.447 4.556 0.000 0.000 0.300 426 H C 2.330 177.715 175.328 0.095 0.000 1.090 426 H CA 1.673 57.738 56.048 0.028 0.000 1.327 426 H CB 0.043 29.791 29.762 -0.022 0.000 1.383 426 H HN 0.062 nan 8.280 nan 0.000 0.508 427 R N -0.351 120.152 120.500 0.006 0.000 2.091 427 R HA -0.076 4.265 4.340 0.000 0.000 0.238 427 R C 2.590 178.886 176.300 -0.006 0.000 1.136 427 R CA 1.056 57.141 56.100 -0.025 0.000 0.959 427 R CB -1.002 29.367 30.300 0.114 0.000 0.856 427 R HN 0.516 nan 8.270 nan 0.000 0.437 428 G N 1.892 110.720 108.800 0.047 0.000 2.421 428 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 428 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 428 G C 1.463 176.388 174.900 0.041 0.000 1.171 428 G CA 0.355 45.485 45.100 0.049 0.000 0.775 428 G HN 0.081 nan 8.290 nan 0.000 0.543 429 I N 1.388 121.988 120.570 0.049 0.000 2.208 429 I HA -0.137 4.033 4.170 0.000 0.000 0.245 429 I C 2.592 178.730 176.117 0.035 0.000 1.097 429 I CA 1.098 62.448 61.300 0.084 0.000 1.363 429 I CB -1.363 36.774 38.000 0.229 0.000 1.051 429 I HN 0.362 nan 8.210 nan 0.000 0.413 430 E N 0.467 120.635 120.200 -0.052 0.000 2.085 430 E HA -0.256 4.094 4.350 0.000 0.000 0.194 430 E C 2.194 178.790 176.600 -0.008 0.000 0.994 430 E CA 1.085 57.445 56.400 -0.067 0.000 0.801 430 E CB -0.274 29.331 29.700 -0.157 0.000 0.743 430 E HN 0.262 nan 8.360 nan 0.000 0.453 431 L N 1.234 122.461 121.223 0.006 0.000 2.046 431 L HA -0.158 4.182 4.340 0.000 0.000 0.208 431 L C 2.603 179.491 176.870 0.031 0.000 1.077 431 L CA 2.490 57.347 54.840 0.028 0.000 0.747 431 L CB -1.067 41.014 42.059 0.037 0.000 0.896 431 L HN 0.191 nan 8.230 nan 0.000 0.432 432 T N -3.408 111.186 114.554 0.067 0.000 2.867 432 T HA -0.125 4.225 4.350 0.000 0.000 0.268 432 T C 1.853 176.628 174.700 0.125 0.000 1.057 432 T CA 1.543 63.729 62.100 0.144 0.000 1.136 432 T CB -0.817 68.147 68.868 0.159 0.000 0.874 432 T HN 0.144 nan 8.240 nan 0.000 0.466 433 V N 1.432 121.385 119.914 0.065 0.000 2.358 433 V HA -0.153 3.967 4.120 0.000 0.000 0.246 433 V C 2.937 179.058 176.094 0.045 0.000 1.047 433 V CA 1.982 64.312 62.300 0.049 0.000 1.035 433 V CB -0.842 30.997 31.823 0.027 0.000 0.658 433 V HN 0.530 nan 8.190 nan 0.000 0.452 434 Q N -0.432 119.386 119.800 0.031 0.000 2.061 434 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 434 Q C 2.229 178.222 176.000 -0.012 0.000 0.984 434 Q CA 1.928 57.753 55.803 0.038 0.000 0.846 434 Q CB -0.218 28.562 28.738 0.069 0.000 0.902 434 Q HN 0.589 nan 8.270 nan 0.000 0.421 435 I N 0.157 120.633 120.570 -0.157 0.000 2.394 435 I HA -0.271 3.899 4.170 0.000 0.000 0.251 435 I C 2.556 178.645 176.117 -0.046 0.000 1.136 435 I CA 0.984 62.050 61.300 -0.390 0.000 1.425 435 I CB -0.274 37.374 38.000 -0.585 0.000 1.079 435 I HN 0.334 nan 8.210 nan 0.000 0.425 436 Q N 1.063 120.963 119.800 0.167 0.000 2.079 436 Q HA -0.232 4.108 4.340 0.000 0.000 0.200 436 Q C 1.557 177.620 176.000 0.105 0.000 0.974 436 Q CA 1.760 57.695 55.803 0.219 0.000 0.840 436 Q CB 0.123 28.945 28.738 0.140 0.000 0.898 436 Q HN 0.413 nan 8.270 nan 0.000 0.430 437 D N 0.202 120.642 120.400 0.067 0.000 2.264 437 D HA -0.126 4.514 4.640 0.000 0.000 0.208 437 D C 0.973 177.306 176.300 0.056 0.000 0.966 437 D CA 1.121 55.153 54.000 0.052 0.000 0.864 437 D CB -0.112 40.715 40.800 0.044 0.000 0.933 437 D HN 0.364 nan 8.370 nan 0.000 0.499 438 D N -0.912 119.525 120.400 0.061 0.000 2.305 438 D HA -0.022 4.618 4.640 0.000 0.000 0.206 438 D C 1.578 177.914 176.300 0.061 0.000 0.974 438 D CA 0.787 54.833 54.000 0.077 0.000 0.871 438 D CB 0.355 41.246 40.800 0.152 0.000 0.947 438 D HN -0.046 nan 8.370 nan 0.000 0.516 439 T N -1.076 113.512 114.554 0.056 0.000 2.937 439 T HA 0.412 4.763 4.350 0.000 0.000 0.260 439 T C 0.947 175.683 174.700 0.059 0.000 1.051 439 T CA 0.692 62.827 62.100 0.059 0.000 1.141 439 T CB 0.376 69.305 68.868 0.101 0.000 0.879 439 T HN 0.353 nan 8.240 nan 0.000 0.459 440 G N 1.078 109.914 108.800 0.060 0.000 2.334 440 G HA2 0.115 4.075 3.960 0.000 0.000 0.315 440 G HA3 0.115 4.075 3.960 0.000 0.000 0.315 440 G C -2.296 172.630 174.900 0.042 0.000 1.284 440 G CA -0.219 44.908 45.100 0.045 0.000 0.985 440 G HN 0.029 nan 8.290 nan 0.000 0.504 441 P HA 0.182 nan 4.420 nan 0.000 0.212 441 P C 0.961 178.273 177.300 0.019 0.000 1.163 441 P CA 0.549 63.662 63.100 0.021 0.000 0.892 441 P CB 0.378 32.087 31.700 0.016 0.000 0.766 442 R N 0.461 120.973 120.500 0.019 0.000 2.555 442 R HA 0.441 4.781 4.340 0.000 0.000 0.272 442 R C 0.473 176.788 176.300 0.024 0.000 1.089 442 R CA -0.457 55.653 56.100 0.016 0.000 1.126 442 R CB -0.942 29.366 30.300 0.013 0.000 1.250 442 R HN 0.204 nan 8.270 nan 0.000 0.551 443 A N 0.446 123.286 122.820 0.035 0.000 2.425 443 A HA 0.206 4.526 4.320 0.000 0.000 0.242 443 A C 0.497 178.111 177.584 0.050 0.000 1.077 443 A CA 0.127 52.194 52.037 0.050 0.000 0.781 443 A CB 0.416 19.460 19.000 0.074 0.000 1.020 443 A HN 0.167 nan 8.150 nan 0.000 0.494 444 T N 0.470 115.058 114.554 0.057 0.000 2.918 444 T HA 0.327 4.677 4.350 0.000 0.000 0.283 444 T C 1.272 176.024 174.700 0.086 0.000 1.001 444 T CA -0.377 61.754 62.100 0.052 0.000 1.041 444 T CB 0.460 69.353 68.868 0.041 0.000 1.028 444 T HN 0.656 nan 8.240 nan 0.000 0.511 445 L N 3.233 124.493 121.223 0.062 0.000 2.079 445 L HA 0.061 4.401 4.340 0.000 0.000 0.210 445 L C 2.357 179.315 176.870 0.146 0.000 1.081 445 L CA 2.081 56.975 54.840 0.091 0.000 0.752 445 L CB -0.852 41.223 42.059 0.027 0.000 0.896 445 L HN 0.732 nan 8.230 nan 0.000 0.433 446 K N 0.166 120.620 120.400 0.090 0.000 2.032 446 K HA -0.211 4.110 4.320 0.000 0.000 0.209 446 K C 1.955 178.602 176.600 0.078 0.000 1.048 446 K CA 2.136 58.467 56.287 0.074 0.000 0.927 446 K CB -0.227 32.301 32.500 0.048 0.000 0.712 446 K HN 0.564 nan 8.250 nan 0.000 0.441 447 E N -1.056 119.195 120.200 0.085 0.000 2.107 447 E HA -0.128 4.222 4.350 0.000 0.000 0.191 447 E C 1.836 178.481 176.600 0.075 0.000 0.982 447 E CA 0.939 57.379 56.400 0.067 0.000 0.809 447 E CB -0.240 29.497 29.700 0.063 0.000 0.756 447 E HN 0.339 nan 8.360 nan 0.000 0.459 448 F N 2.332 122.278 119.950 -0.006 0.000 2.134 448 F HA -0.184 4.343 4.527 0.000 0.000 0.299 448 F C 1.833 177.623 175.800 -0.016 0.000 1.097 448 F CA 1.531 59.520 58.000 -0.017 0.000 1.264 448 F CB 0.133 39.121 39.000 -0.021 0.000 1.001 448 F HN -0.214 nan 8.300 nan 0.000 0.479 449 K N 0.031 120.490 120.400 0.098 0.000 2.211 449 K HA -0.129 4.191 4.320 0.000 0.000 0.203 449 K C 1.856 178.415 176.600 -0.069 0.000 1.050 449 K CA 1.580 57.874 56.287 0.012 0.000 0.945 449 K CB -0.203 32.359 32.500 0.103 0.000 0.732 449 K HN 0.439 nan 8.250 nan 0.000 0.451 450 E N 0.736 120.908 120.200 -0.047 0.000 2.158 450 E HA -0.152 4.198 4.350 0.000 0.000 0.191 450 E C 1.845 178.403 176.600 -0.071 0.000 0.982 450 E CA 0.711 57.087 56.400 -0.040 0.000 0.823 450 E CB 0.116 29.810 29.700 -0.011 0.000 0.766 450 E HN 0.036 nan 8.360 nan 0.000 0.468 451 K N 1.564 121.890 120.400 -0.123 0.000 2.057 451 K HA -0.140 4.180 4.320 0.000 0.000 0.206 451 K C 1.947 178.465 176.600 -0.137 0.000 1.050 451 K CA 0.764 56.979 56.287 -0.120 0.000 0.935 451 K CB -0.316 32.077 32.500 -0.178 0.000 0.715 451 K HN 0.098 nan 8.250 nan 0.000 0.439 452 L N -0.181 120.868 121.223 -0.290 0.000 2.291 452 L HA 0.149 4.489 4.340 0.000 0.000 0.214 452 L C 1.831 178.645 176.870 -0.093 0.000 1.120 452 L CA 1.731 56.426 54.840 -0.242 0.000 0.799 452 L CB -0.466 41.377 42.059 -0.360 0.000 0.925 452 L HN 0.209 nan 8.230 nan 0.000 0.446 453 A N -0.733 122.043 122.820 -0.073 0.000 1.871 453 A HA 0.329 4.649 4.320 0.000 0.000 0.211 453 A C 1.836 179.408 177.584 -0.019 0.000 1.207 453 A CA 0.657 52.674 52.037 -0.033 0.000 0.620 453 A CB -0.890 18.095 19.000 -0.025 0.000 0.860 453 A HN 0.418 nan 8.150 nan 0.000 0.450 454 G N -0.222 108.567 108.800 -0.018 0.000 4.486 454 G HA2 0.413 4.373 3.960 0.000 0.000 0.306 454 G HA3 0.413 4.373 3.960 0.000 0.000 0.306 454 G C -0.878 174.016 174.900 -0.010 0.000 1.331 454 G CA 0.106 45.199 45.100 -0.012 0.000 1.113 454 G HN 0.230 nan 8.290 nan 0.000 0.594 455 D N 0.584 120.982 120.400 -0.003 0.000 2.389 455 D HA 0.148 4.788 4.640 0.000 0.000 0.256 455 D C 0.984 177.255 176.300 -0.049 0.000 1.239 455 D CA -0.485 53.505 54.000 -0.017 0.000 0.925 455 D CB 1.613 42.442 40.800 0.049 0.000 1.145 455 D HN 0.056 nan 8.370 nan 0.000 0.542 456 E N 3.316 123.482 120.200 -0.056 0.000 2.169 456 E HA -0.255 4.095 4.350 0.000 0.000 0.202 456 E C 1.629 178.177 176.600 -0.088 0.000 1.016 456 E CA 1.492 57.859 56.400 -0.056 0.000 0.817 456 E CB 0.084 29.755 29.700 -0.048 0.000 0.736 456 E HN 0.539 nan 8.360 nan 0.000 0.462 457 K N -0.725 119.574 120.400 -0.168 0.000 1.987 457 K HA -0.232 4.088 4.320 0.000 0.000 0.216 457 K C 2.095 178.571 176.600 -0.206 0.000 1.051 457 K CA 1.857 58.001 56.287 -0.238 0.000 0.942 457 K CB -0.347 31.909 32.500 -0.406 0.000 0.722 457 K HN 0.343 nan 8.250 nan 0.000 0.444 458 H N -0.198 118.851 119.070 -0.034 0.000 2.423 458 H HA -0.084 4.472 4.556 0.000 0.000 0.297 458 H C 2.170 177.478 175.328 -0.034 0.000 1.075 458 H CA 1.315 57.340 56.048 -0.039 0.000 1.342 458 H CB -0.144 29.577 29.762 -0.068 0.000 1.395 458 H HN 0.343 nan 8.280 nan 0.000 0.530 459 Q N 1.258 121.095 119.800 0.061 0.000 2.291 459 Q HA -0.089 4.251 4.340 0.000 0.000 0.206 459 Q C 2.367 178.375 176.000 0.014 0.000 0.976 459 Q CA 0.989 56.808 55.803 0.027 0.000 0.875 459 Q CB -0.011 28.731 28.738 0.006 0.000 0.927 459 Q HN 0.345 nan 8.270 nan 0.000 0.450 460 R N -1.298 119.204 120.500 0.003 0.000 2.127 460 R HA 0.100 4.440 4.340 0.000 0.000 0.217 460 R C 1.864 178.173 176.300 0.014 0.000 1.074 460 R CA 0.936 57.036 56.100 0.000 0.000 0.991 460 R CB -0.150 30.141 30.300 -0.015 0.000 0.895 460 R HN 0.256 nan 8.270 nan 0.000 0.450 461 A N 0.428 123.265 122.820 0.029 0.000 1.898 461 A HA -0.059 4.261 4.320 0.000 0.000 0.216 461 A C 2.160 179.767 177.584 0.038 0.000 1.181 461 A CA 1.287 53.349 52.037 0.041 0.000 0.620 461 A CB -0.533 18.509 19.000 0.070 0.000 0.819 461 A HN 0.183 nan 8.150 nan 0.000 0.442 462 V N 0.160 120.096 119.914 0.038 0.000 2.233 462 V HA -0.298 3.822 4.120 0.000 0.000 0.247 462 V C 2.665 178.767 176.094 0.014 0.000 1.050 462 V CA 2.436 64.752 62.300 0.026 0.000 1.010 462 V CB -0.789 31.048 31.823 0.023 0.000 0.637 462 V HN 0.677 nan 8.190 nan 0.000 0.444 463 R N -0.099 120.408 120.500 0.011 0.000 2.103 463 R HA -0.230 4.110 4.340 0.000 0.000 0.242 463 R C 2.253 178.556 176.300 0.005 0.000 1.142 463 R CA 1.914 58.016 56.100 0.005 0.000 0.960 463 R CB -0.467 29.835 30.300 0.004 0.000 0.858 463 R HN 0.524 nan 8.270 nan 0.000 0.439 464 A N 0.867 123.694 122.820 0.012 0.000 1.873 464 A HA -0.158 4.162 4.320 0.000 0.000 0.215 464 A C 2.024 179.618 177.584 0.018 0.000 1.186 464 A CA 1.221 53.269 52.037 0.018 0.000 0.616 464 A CB -0.647 18.368 19.000 0.026 0.000 0.823 464 A HN 0.378 nan 8.150 nan 0.000 0.442 465 L N -0.175 121.059 121.223 0.020 0.000 2.083 465 L HA -0.112 4.228 4.340 0.000 0.000 0.209 465 L C 2.406 179.243 176.870 -0.055 0.000 1.083 465 L CA 2.047 56.894 54.840 0.012 0.000 0.752 465 L CB -0.676 41.402 42.059 0.031 0.000 0.899 465 L HN 0.400 nan 8.230 nan 0.000 0.433 466 R N -0.628 119.848 120.500 -0.040 0.000 2.083 466 R HA -0.236 4.104 4.340 0.000 0.000 0.237 466 R C 2.334 178.595 176.300 -0.065 0.000 1.137 466 R CA 2.146 58.212 56.100 -0.056 0.000 0.951 466 R CB -0.398 29.886 30.300 -0.026 0.000 0.851 466 R HN 0.613 nan 8.270 nan 0.000 0.434 467 Q N 0.373 120.152 119.800 -0.035 0.000 2.061 467 Q HA -0.198 4.143 4.340 0.000 0.000 0.204 467 Q C 1.759 177.742 176.000 -0.028 0.000 0.984 467 Q CA 1.937 57.727 55.803 -0.021 0.000 0.846 467 Q CB 0.040 28.778 28.738 -0.000 0.000 0.902 467 Q HN 0.468 nan 8.270 nan 0.000 0.421 468 E N -0.596 119.582 120.200 -0.037 0.000 2.110 468 E HA -0.163 4.187 4.350 0.000 0.000 0.193 468 E C 2.106 178.574 176.600 -0.221 0.000 0.988 468 E CA 1.331 57.716 56.400 -0.025 0.000 0.804 468 E CB 0.049 29.803 29.700 0.090 0.000 0.745 468 E HN 0.204 nan 8.360 nan 0.000 0.458 469 V N 1.917 121.569 119.914 -0.437 0.000 2.295 469 V HA -0.246 3.874 4.120 0.000 0.000 0.246 469 V C 2.075 178.081 176.094 -0.146 0.000 1.049 469 V CA 1.907 63.877 62.300 -0.550 0.000 1.024 469 V CB -0.441 31.117 31.823 -0.441 0.000 0.648 469 V HN 0.245 nan 8.190 nan 0.000 0.447 470 E N -0.079 120.072 120.200 -0.082 0.000 2.150 470 E HA -0.145 4.205 4.350 0.000 0.000 0.193 470 E C 2.382 178.991 176.600 0.015 0.000 0.985 470 E CA 1.397 57.784 56.400 -0.021 0.000 0.814 470 E CB -0.186 29.500 29.700 -0.023 0.000 0.752 470 E HN 0.515 nan 8.360 nan 0.000 0.466 471 S N 0.892 116.613 115.700 0.034 0.000 2.355 471 S HA -0.127 4.343 4.470 0.000 0.000 0.222 471 S C 1.620 176.290 174.600 0.115 0.000 1.031 471 S CA 0.773 59.010 58.200 0.061 0.000 0.993 471 S CB -0.288 62.957 63.200 0.075 0.000 0.859 471 S HN 0.287 nan 8.310 nan 0.000 0.453 472 F N 2.588 122.563 119.950 0.042 0.000 2.171 472 F HA -0.014 4.513 4.527 0.000 0.000 0.300 472 F C 2.195 178.126 175.800 0.218 0.000 1.090 472 F CA 0.897 58.985 58.000 0.146 0.000 1.293 472 F CB -0.605 38.556 39.000 0.268 0.000 1.013 472 F HN 0.168 nan 8.300 nan 0.000 0.486 473 A N 0.200 123.050 122.820 0.050 0.000 1.968 473 A HA 0.135 4.455 4.320 0.000 0.000 0.217 473 A C 2.298 179.904 177.584 0.037 0.000 1.169 473 A CA 1.079 53.132 52.037 0.026 0.000 0.638 473 A CB -1.367 17.655 19.000 0.036 0.000 0.812 473 A HN 0.428 nan 8.150 nan 0.000 0.446 474 A N -0.382 122.424 122.820 -0.024 0.000 2.172 474 A HA 0.121 4.441 4.320 0.000 0.000 0.216 474 A C 1.861 179.362 177.584 -0.137 0.000 1.154 474 A CA 0.869 52.872 52.037 -0.056 0.000 0.701 474 A CB -0.536 18.436 19.000 -0.047 0.000 0.789 474 A HN 0.472 nan 8.150 nan 0.000 0.465 475 L N -1.505 119.554 121.223 -0.273 0.000 2.465 475 L HA 0.045 4.385 4.340 0.000 0.000 0.224 475 L C -0.162 176.269 176.870 -0.732 0.000 1.145 475 L CA 0.154 54.661 54.840 -0.555 0.000 0.834 475 L CB -0.215 41.333 42.059 -0.852 0.000 0.944 475 L HN 0.340 nan 8.230 nan 0.000 0.451 476 F N -0.301 119.528 119.950 -0.202 0.000 2.492 476 F HA 0.453 4.980 4.527 0.000 0.000 0.327 476 F C -1.865 173.846 175.800 -0.149 0.000 1.079 476 F CA -2.993 54.905 58.000 -0.170 0.000 0.967 476 F CB 0.267 39.148 39.000 -0.197 0.000 1.169 476 F HN -0.263 nan 8.300 nan 0.000 0.472 477 P HA 0.153 nan 4.420 nan 0.000 0.271 477 P C -1.124 176.116 177.300 -0.101 0.000 1.218 477 P CA -0.254 62.827 63.100 -0.032 0.000 0.780 477 P CB 1.661 33.348 31.700 -0.022 0.000 0.901 478 L N 5.304 126.433 121.223 -0.157 0.000 2.277 478 L HA 0.466 4.806 4.340 0.000 0.000 0.284 478 L C -2.361 174.364 176.870 -0.243 0.000 1.028 478 L CA -2.264 52.391 54.840 -0.308 0.000 0.835 478 L CB 0.370 42.265 42.059 -0.274 0.000 1.215 478 L HN 0.222 nan 8.230 nan 0.000 0.425 479 P HA 0.569 nan 4.420 nan 0.000 0.269 479 P C 0.116 177.390 177.300 -0.042 0.000 1.217 479 P CA 0.300 63.340 63.100 -0.101 0.000 0.783 479 P CB 0.673 32.352 31.700 -0.034 0.000 0.898 480 G N -0.528 108.280 108.800 0.012 0.000 2.265 480 G HA2 -0.052 3.909 3.960 0.000 0.000 0.246 480 G HA3 -0.052 3.909 3.960 0.000 0.000 0.246 480 G C -1.176 173.750 174.900 0.043 0.000 1.299 480 G CA -0.853 44.277 45.100 0.049 0.000 1.117 480 G HN 0.531 nan 8.290 nan 0.000 0.485 481 L N 1.245 122.511 121.223 0.072 0.000 2.468 481 L HA 0.408 4.749 4.340 0.000 0.000 0.254 481 L C -1.684 175.228 176.870 0.069 0.000 1.171 481 L CA -1.565 53.316 54.840 0.067 0.000 0.809 481 L CB 0.635 42.750 42.059 0.093 0.000 1.155 481 L HN 0.275 nan 8.230 nan 0.000 0.473 482 P HA 0.026 nan 4.420 nan 0.000 0.254 482 P C 0.392 177.746 177.300 0.091 0.000 1.467 482 P CA 0.442 63.573 63.100 0.052 0.000 1.281 482 P CB -0.239 31.481 31.700 0.033 0.000 1.754 483 G N 1.534 110.375 108.800 0.068 0.000 2.338 483 G HA2 -0.273 3.688 3.960 0.000 0.000 0.296 483 G HA3 -0.273 3.688 3.960 0.000 0.000 0.296 483 G C -0.303 174.663 174.900 0.110 0.000 1.040 483 G CA -0.211 44.923 45.100 0.056 0.000 1.004 483 G HN 0.480 nan 8.290 nan 0.000 0.509 484 F N 0.000 119.926 119.950 -0.041 0.000 2.286 484 F HA 0.000 4.527 4.527 0.000 0.000 0.279 484 F CA 0.000 57.965 58.000 -0.059 0.000 1.383 484 F CB 0.000 38.988 39.000 -0.020 0.000 1.145 484 F HN 0.000 nan 8.300 nan 0.000 0.574