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 1rv4_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 0.000 176.543 176.519 0.039 0.000 1.175 15 W CA 0.000 57.363 57.345 0.031 0.000 1.226 15 W CB 0.000 29.461 29.460 0.002 0.000 1.126 16 S N 0.931 116.397 115.700 -0.390 0.000 2.486 16 S HA 0.011 4.481 4.470 0.000 0.000 0.220 16 S C 1.684 176.220 174.600 -0.106 0.000 1.011 16 S CA 1.408 59.502 58.200 -0.177 0.000 0.921 16 S CB -0.466 62.538 63.200 -0.326 0.000 0.785 16 S HN 0.344 nan 8.310 nan 0.000 0.517 17 S N 0.353 115.960 115.700 -0.155 0.000 2.562 17 S HA -0.007 4.463 4.470 0.000 0.000 0.221 17 S C 1.712 176.308 174.600 -0.006 0.000 0.975 17 S CA 0.313 58.458 58.200 -0.091 0.000 0.918 17 S CB -0.735 62.386 63.200 -0.132 0.000 0.772 17 S HN 0.727 nan 8.310 nan 0.000 0.531 18 H N 2.039 121.083 119.070 -0.043 0.000 2.390 18 H HA -0.076 4.480 4.556 0.000 0.000 0.298 18 H C 1.642 176.964 175.328 -0.011 0.000 1.106 18 H CA 2.118 58.162 56.048 -0.008 0.000 1.297 18 H CB -0.212 29.568 29.762 0.030 0.000 1.375 18 H HN 0.597 nan 8.280 nan 0.000 0.509 19 E N 0.069 120.369 120.200 0.166 0.000 2.150 19 E HA -0.160 4.190 4.350 0.000 0.000 0.193 19 E C 2.201 178.791 176.600 -0.017 0.000 0.985 19 E CA 0.501 56.956 56.400 0.092 0.000 0.814 19 E CB -0.015 29.742 29.700 0.094 0.000 0.752 19 E HN 0.560 nan 8.360 nan 0.000 0.466 20 Q N 0.203 119.984 119.800 -0.033 0.000 2.472 20 Q HA -0.035 4.305 4.340 0.000 0.000 0.208 20 Q C 1.888 177.841 176.000 -0.078 0.000 0.958 20 Q CA 0.245 56.016 55.803 -0.052 0.000 0.932 20 Q CB 0.168 28.874 28.738 -0.054 0.000 1.007 20 Q HN 0.275 nan 8.270 nan 0.000 0.508 21 M N -0.612 118.918 119.600 -0.117 0.000 2.325 21 M HA -0.005 4.475 4.480 0.000 0.000 0.265 21 M C 1.206 177.417 176.300 -0.148 0.000 1.094 21 M CA 0.951 56.164 55.300 -0.145 0.000 1.161 21 M CB 0.308 32.781 32.600 -0.211 0.000 1.358 21 M HN 0.243 nan 8.290 nan 0.000 0.446 22 L N 0.252 121.370 121.223 -0.175 0.000 2.622 22 L HA 0.026 4.366 4.340 0.000 0.000 0.233 22 L C 1.941 178.766 176.870 -0.075 0.000 1.156 22 L CA 0.486 55.250 54.840 -0.126 0.000 0.866 22 L CB -0.451 41.540 42.059 -0.114 0.000 0.980 22 L HN 0.422 nan 8.230 nan 0.000 0.448 23 A N -1.519 121.260 122.820 -0.069 0.000 2.211 23 A HA 0.032 4.352 4.320 0.000 0.000 0.208 23 A C 1.075 178.627 177.584 -0.054 0.000 1.250 23 A CA -0.232 51.774 52.037 -0.052 0.000 0.935 23 A CB 0.086 19.060 19.000 -0.042 0.000 0.982 23 A HN 0.308 nan 8.150 nan 0.000 0.490 24 Q N 1.508 121.271 119.800 -0.060 0.000 2.269 24 Q HA 0.128 4.468 4.340 0.000 0.000 0.300 24 Q C -2.319 173.648 176.000 -0.055 0.000 1.070 24 Q CA -1.241 54.526 55.803 -0.059 0.000 0.957 24 Q CB 0.296 28.996 28.738 -0.063 0.000 1.131 24 Q HN 0.202 nan 8.270 nan 0.000 0.377 25 P HA -0.105 nan 4.420 nan 0.000 0.270 25 P C 0.368 177.641 177.300 -0.045 0.000 1.223 25 P CA -0.314 62.752 63.100 -0.055 0.000 0.785 25 P CB 0.538 32.196 31.700 -0.070 0.000 0.923 26 L N 3.091 124.312 121.223 -0.004 0.000 2.042 26 L HA -0.202 4.138 4.340 0.000 0.000 0.210 26 L C 2.134 179.002 176.870 -0.003 0.000 1.076 26 L CA 1.992 56.868 54.840 0.060 0.000 0.749 26 L CB -0.943 41.237 42.059 0.201 0.000 0.893 26 L HN 0.310 nan 8.230 nan 0.000 0.432 27 K N -0.788 119.515 120.400 -0.162 0.000 2.074 27 K HA -0.216 4.104 4.320 0.000 0.000 0.209 27 K C 1.618 178.017 176.600 -0.335 0.000 1.048 27 K CA 2.054 57.975 56.287 -0.611 0.000 0.926 27 K CB -0.165 31.869 32.500 -0.778 0.000 0.713 27 K HN 0.532 nan 8.250 nan 0.000 0.444 28 D N -0.539 119.747 120.400 -0.190 0.000 2.144 28 D HA -0.100 4.540 4.640 0.000 0.000 0.207 28 D C 1.964 178.215 176.300 -0.082 0.000 0.970 28 D CA 0.782 54.707 54.000 -0.124 0.000 0.853 28 D CB -0.460 40.282 40.800 -0.098 0.000 1.007 28 D HN 0.153 nan 8.370 nan 0.000 0.469 29 S N 0.164 115.826 115.700 -0.064 0.000 2.378 29 S HA -0.184 4.286 4.470 0.000 0.000 0.221 29 S C 0.619 175.206 174.600 -0.022 0.000 1.037 29 S CA 1.437 59.612 58.200 -0.041 0.000 1.069 29 S CB -0.108 63.073 63.200 -0.032 0.000 1.006 29 S HN 0.092 nan 8.310 nan 0.000 0.423 30 D N -0.376 120.025 120.400 0.001 0.000 2.420 30 D HA 0.581 5.221 4.640 0.000 0.000 0.255 30 D C 0.344 176.679 176.300 0.059 0.000 1.185 30 D CA 0.213 54.229 54.000 0.027 0.000 0.904 30 D CB 1.287 42.111 40.800 0.041 0.000 1.102 30 D HN 0.281 nan 8.370 nan 0.000 0.534 31 A N 3.435 126.276 122.820 0.035 0.000 1.968 31 A HA -0.095 4.225 4.320 0.000 0.000 0.217 31 A C 1.833 179.484 177.584 0.113 0.000 1.169 31 A CA 0.963 53.041 52.037 0.068 0.000 0.638 31 A CB -0.197 18.814 19.000 0.018 0.000 0.812 31 A HN 0.635 nan 8.150 nan 0.000 0.446 32 E N -0.174 120.067 120.200 0.068 0.000 2.077 32 E HA -0.137 4.213 4.350 0.000 0.000 0.193 32 E C 1.751 178.384 176.600 0.054 0.000 0.989 32 E CA 1.483 57.914 56.400 0.052 0.000 0.800 32 E CB -0.054 29.664 29.700 0.030 0.000 0.746 32 E HN 0.339 nan 8.360 nan 0.000 0.452 33 V N 0.258 120.213 119.914 0.068 0.000 2.407 33 V HA -0.202 3.918 4.120 0.000 0.000 0.245 33 V C 1.965 178.092 176.094 0.056 0.000 1.041 33 V CA 1.687 64.017 62.300 0.051 0.000 1.040 33 V CB -0.610 31.248 31.823 0.059 0.000 0.671 33 V HN 0.397 nan 8.190 nan 0.000 0.455 34 Y N 1.593 121.890 120.300 -0.004 0.000 2.128 34 Y HA -0.314 4.236 4.550 0.000 0.000 0.284 34 Y C 2.401 178.261 175.900 -0.067 0.000 1.154 34 Y CA 2.315 60.410 58.100 -0.008 0.000 1.149 34 Y CB -0.350 38.141 38.460 0.051 0.000 0.976 34 Y HN 0.388 nan 8.280 nan 0.000 0.505 35 D N 0.031 120.490 120.400 0.100 0.000 2.123 35 D HA -0.224 4.417 4.640 0.000 0.000 0.196 35 D C 2.120 178.357 176.300 -0.104 0.000 0.992 35 D CA 1.984 55.988 54.000 0.007 0.000 0.833 35 D CB -0.393 40.439 40.800 0.054 0.000 0.954 35 D HN 0.514 nan 8.370 nan 0.000 0.455 36 I N 0.074 120.591 120.570 -0.089 0.000 2.179 36 I HA -0.235 3.935 4.170 0.000 0.000 0.242 36 I C 2.442 178.448 176.117 -0.184 0.000 1.088 36 I CA 0.692 61.929 61.300 -0.105 0.000 1.357 36 I CB -0.194 37.766 38.000 -0.067 0.000 1.051 36 I HN 0.080 nan 8.210 nan 0.000 0.409 37 I N 0.438 120.840 120.570 -0.281 0.000 2.208 37 I HA -0.304 3.866 4.170 0.000 0.000 0.245 37 I C 2.560 178.385 176.117 -0.486 0.000 1.097 37 I CA 1.210 62.253 61.300 -0.429 0.000 1.363 37 I CB -0.362 37.230 38.000 -0.681 0.000 1.051 37 I HN 0.181 nan 8.210 nan 0.000 0.413 38 K N 1.120 121.212 120.400 -0.514 0.000 2.001 38 K HA -0.138 4.182 4.320 0.000 0.000 0.208 38 K C 2.027 178.496 176.600 -0.218 0.000 1.048 38 K CA 1.405 57.456 56.287 -0.394 0.000 0.932 38 K CB -0.417 31.874 32.500 -0.349 0.000 0.715 38 K HN 0.319 nan 8.250 nan 0.000 0.437 39 K N 0.770 121.072 120.400 -0.163 0.000 2.103 39 K HA -0.205 4.116 4.320 0.000 0.000 0.207 39 K C 2.080 178.626 176.600 -0.090 0.000 1.048 39 K CA 1.461 57.688 56.287 -0.099 0.000 0.930 39 K CB -0.033 32.424 32.500 -0.072 0.000 0.716 39 K HN 0.083 nan 8.250 nan 0.000 0.444 40 E N 1.001 121.133 120.200 -0.113 0.000 2.047 40 E HA -0.138 4.212 4.350 0.000 0.000 0.191 40 E C 1.966 178.523 176.600 -0.071 0.000 0.987 40 E CA 1.586 57.936 56.400 -0.084 0.000 0.799 40 E CB -0.343 29.300 29.700 -0.095 0.000 0.752 40 E HN 0.082 nan 8.360 nan 0.000 0.449 41 S N -0.285 115.345 115.700 -0.116 0.000 2.383 41 S HA -0.244 4.226 4.470 0.000 0.000 0.229 41 S C 1.961 176.534 174.600 -0.045 0.000 1.030 41 S CA 1.788 59.940 58.200 -0.080 0.000 1.002 41 S CB -0.598 62.520 63.200 -0.136 0.000 0.829 41 S HN 0.454 nan 8.310 nan 0.000 0.467 42 N N 0.985 119.649 118.700 -0.059 0.000 2.142 42 N HA -0.039 4.701 4.740 0.000 0.000 0.186 42 N C 2.019 177.517 175.510 -0.020 0.000 1.023 42 N CA 1.298 54.325 53.050 -0.039 0.000 0.852 42 N CB -0.330 38.130 38.487 -0.044 0.000 0.998 42 N HN 0.421 nan 8.380 nan 0.000 0.424 43 R N 0.314 120.802 120.500 -0.019 0.000 2.091 43 R HA -0.124 4.216 4.340 0.000 0.000 0.238 43 R C 2.049 178.362 176.300 0.021 0.000 1.136 43 R CA 1.586 57.684 56.100 -0.004 0.000 0.959 43 R CB -0.200 30.096 30.300 -0.008 0.000 0.856 43 R HN 0.434 nan 8.270 nan 0.000 0.437 44 Q N -0.317 119.507 119.800 0.040 0.000 2.170 44 Q HA -0.187 4.153 4.340 0.000 0.000 0.203 44 Q C 2.208 178.259 176.000 0.085 0.000 0.976 44 Q CA 1.561 57.429 55.803 0.109 0.000 0.858 44 Q CB -0.014 28.829 28.738 0.176 0.000 0.907 44 Q HN 0.292 nan 8.270 nan 0.000 0.433 45 R N 0.106 120.619 120.500 0.023 0.000 2.057 45 R HA -0.099 4.241 4.340 0.000 0.000 0.229 45 R C 2.017 178.310 176.300 -0.012 0.000 1.136 45 R CA 1.569 57.658 56.100 -0.017 0.000 0.952 45 R CB -0.069 30.214 30.300 -0.030 0.000 0.848 45 R HN 0.287 nan 8.270 nan 0.000 0.430 46 V N -1.247 118.663 119.914 -0.006 0.000 3.630 46 V HA 0.327 4.447 4.120 0.000 0.000 0.273 46 V C 0.436 176.528 176.094 -0.002 0.000 1.248 46 V CA 0.475 62.772 62.300 -0.006 0.000 1.170 46 V CB -0.190 31.627 31.823 -0.010 0.000 0.899 46 V HN 0.293 nan 8.190 nan 0.000 0.457 47 G N -0.192 108.615 108.800 0.012 0.000 2.537 47 G HA2 0.672 4.632 3.960 0.000 0.000 0.323 47 G HA3 0.672 4.632 3.960 0.000 0.000 0.323 47 G C -1.167 173.750 174.900 0.028 0.000 1.207 47 G CA -1.127 43.982 45.100 0.015 0.000 0.976 47 G HN 0.257 nan 8.290 nan 0.000 0.487 48 L N 1.354 122.594 121.223 0.028 0.000 2.277 48 L HA 0.317 4.657 4.340 0.000 0.000 0.284 48 L C -0.187 176.722 176.870 0.066 0.000 1.028 48 L CA -0.683 54.181 54.840 0.040 0.000 0.835 48 L CB 1.505 43.594 42.059 0.051 0.000 1.215 48 L HN 0.322 nan 8.230 nan 0.000 0.425 49 E N 4.586 124.846 120.200 0.101 0.000 2.003 49 E HA 0.163 4.513 4.350 0.000 0.000 0.279 49 E C 0.252 176.920 176.600 0.113 0.000 1.132 49 E CA 0.105 56.570 56.400 0.108 0.000 0.888 49 E CB 1.213 30.999 29.700 0.144 0.000 1.056 49 E HN 0.555 nan 8.360 nan 0.000 0.399 50 L N 4.049 125.330 121.223 0.096 0.000 2.857 50 L HA 0.304 4.644 4.340 0.000 0.000 0.249 50 L C 0.566 177.490 176.870 0.089 0.000 1.172 50 L CA -0.098 54.811 54.840 0.115 0.000 0.980 50 L CB 0.459 42.585 42.059 0.111 0.000 1.299 50 L HN 0.371 nan 8.230 nan 0.000 0.535 51 I N 0.709 121.322 120.570 0.072 0.000 2.436 51 I HA -0.002 4.168 4.170 0.000 0.000 0.289 51 I C 1.629 177.799 176.117 0.090 0.000 1.083 51 I CA -0.055 61.284 61.300 0.065 0.000 1.372 51 I CB 1.526 39.553 38.000 0.045 0.000 1.408 51 I HN 0.170 nan 8.210 nan 0.000 0.516 52 A N 4.871 127.760 122.820 0.115 0.000 2.042 52 A HA -0.213 4.107 4.320 0.000 0.000 0.222 52 A C 2.185 179.890 177.584 0.201 0.000 1.167 52 A CA 2.340 54.488 52.037 0.185 0.000 0.649 52 A CB -0.442 18.676 19.000 0.197 0.000 0.809 52 A HN 0.819 nan 8.150 nan 0.000 0.457 53 S N -1.188 114.593 115.700 0.135 0.000 2.524 53 S HA 0.165 4.635 4.470 0.000 0.000 0.216 53 S C 0.480 175.080 174.600 0.000 0.000 0.987 53 S CA -0.225 57.971 58.200 -0.006 0.000 0.909 53 S CB 0.055 63.295 63.200 0.066 0.000 0.781 53 S HN 0.622 nan 8.310 nan 0.000 0.521 54 E N 1.426 121.628 120.200 0.003 0.000 2.283 54 E HA 0.513 4.863 4.350 0.000 0.000 0.267 54 E C -0.596 175.936 176.600 -0.114 0.000 1.045 54 E CA -0.615 55.745 56.400 -0.067 0.000 0.884 54 E CB 0.671 30.298 29.700 -0.122 0.000 1.106 54 E HN 0.199 nan 8.360 nan 0.000 0.408 55 N N 0.466 119.028 118.700 -0.230 0.000 3.116 55 N HA 0.294 5.034 4.740 0.000 0.000 0.244 55 N C -1.922 173.317 175.510 -0.451 0.000 1.485 55 N CA -0.570 52.343 53.050 -0.229 0.000 0.884 55 N CB 0.910 39.408 38.487 0.019 0.000 1.415 55 N HN 0.212 nan 8.380 nan 0.000 0.524 56 F N 1.113 121.092 119.950 0.048 0.000 2.426 56 F HA 0.673 5.200 4.527 0.000 0.000 0.348 56 F C 0.904 176.716 175.800 0.020 0.000 1.124 56 F CA -0.703 57.313 58.000 0.028 0.000 1.008 56 F CB 1.564 40.572 39.000 0.013 0.000 1.139 56 F HN 0.429 nan 8.300 nan 0.000 0.452 57 A N 2.186 125.102 122.820 0.160 0.000 2.371 57 A HA 0.512 4.832 4.320 0.000 0.000 0.257 57 A C 0.399 178.044 177.584 0.101 0.000 1.089 57 A CA -0.407 51.695 52.037 0.107 0.000 0.794 57 A CB 0.137 19.184 19.000 0.078 0.000 1.029 57 A HN 0.836 nan 8.150 nan 0.000 0.488 58 S N 1.450 117.187 115.700 0.062 0.000 2.589 58 S HA 0.109 4.579 4.470 0.000 0.000 0.265 58 S C 1.230 175.853 174.600 0.040 0.000 1.342 58 S CA 0.402 58.626 58.200 0.040 0.000 1.005 58 S CB 0.545 63.755 63.200 0.016 0.000 0.909 58 S HN 0.874 nan 8.310 nan 0.000 0.555 59 R N 1.244 121.761 120.500 0.029 0.000 2.081 59 R HA -0.108 4.232 4.340 0.000 0.000 0.235 59 R C 2.328 178.639 176.300 0.018 0.000 1.131 59 R CA 1.573 57.689 56.100 0.026 0.000 0.960 59 R CB -1.159 29.151 30.300 0.016 0.000 0.856 59 R HN 0.841 nan 8.270 nan 0.000 0.436 60 A N 0.494 123.320 122.820 0.010 0.000 1.883 60 A HA -0.132 4.188 4.320 0.000 0.000 0.217 60 A C 2.310 179.899 177.584 0.009 0.000 1.186 60 A CA 1.801 53.841 52.037 0.004 0.000 0.624 60 A CB -0.753 18.245 19.000 -0.004 0.000 0.822 60 A HN 0.240 nan 8.150 nan 0.000 0.444 61 V N 0.076 119.998 119.914 0.014 0.000 2.332 61 V HA -0.274 3.846 4.120 0.000 0.000 0.248 61 V C 2.551 178.664 176.094 0.032 0.000 1.055 61 V CA 2.068 64.379 62.300 0.020 0.000 1.038 61 V CB -0.738 31.099 31.823 0.023 0.000 0.651 61 V HN 0.574 nan 8.190 nan 0.000 0.450 62 L N -0.461 120.785 121.223 0.038 0.000 2.201 62 L HA -0.142 4.198 4.340 0.000 0.000 0.212 62 L C 2.537 179.428 176.870 0.034 0.000 1.105 62 L CA 1.328 56.197 54.840 0.047 0.000 0.775 62 L CB -0.585 41.509 42.059 0.059 0.000 0.913 62 L HN 0.418 nan 8.230 nan 0.000 0.440 63 E N 0.277 120.489 120.200 0.020 0.000 2.150 63 E HA -0.173 4.177 4.350 0.000 0.000 0.193 63 E C 2.323 178.932 176.600 0.014 0.000 0.985 63 E CA 1.052 57.456 56.400 0.006 0.000 0.814 63 E CB -0.083 29.614 29.700 -0.003 0.000 0.752 63 E HN 0.510 nan 8.360 nan 0.000 0.466 64 A N 1.600 124.434 122.820 0.024 0.000 1.898 64 A HA -0.123 4.197 4.320 0.000 0.000 0.216 64 A C 2.233 179.858 177.584 0.070 0.000 1.181 64 A CA 0.809 52.867 52.037 0.036 0.000 0.620 64 A CB -0.641 18.377 19.000 0.031 0.000 0.819 64 A HN 0.121 nan 8.150 nan 0.000 0.442 65 L N -0.626 120.649 121.223 0.086 0.000 2.081 65 L HA -0.181 4.159 4.340 0.000 0.000 0.212 65 L C 2.319 179.246 176.870 0.095 0.000 1.080 65 L CA 1.136 56.069 54.840 0.155 0.000 0.754 65 L CB -0.550 41.593 42.059 0.141 0.000 0.893 65 L HN 0.519 nan 8.230 nan 0.000 0.433 66 G N -0.745 108.075 108.800 0.033 0.000 3.383 66 G HA2 0.073 4.033 3.960 0.000 0.000 0.251 66 G HA3 0.073 4.033 3.960 0.000 0.000 0.251 66 G C 0.669 175.555 174.900 -0.024 0.000 1.203 66 G CA 0.267 45.357 45.100 -0.017 0.000 0.852 66 G HN 0.395 nan 8.290 nan 0.000 0.531 67 S N -0.892 114.809 115.700 0.002 0.000 2.641 67 S HA 0.094 4.564 4.470 0.000 0.000 0.261 67 S C 1.739 176.330 174.600 -0.014 0.000 1.257 67 S CA 0.050 58.250 58.200 0.000 0.000 0.983 67 S CB 0.809 64.023 63.200 0.023 0.000 0.990 67 S HN 0.671 nan 8.310 nan 0.000 0.572 68 C N -0.271 119.025 119.300 -0.007 0.000 2.546 68 C HA 0.358 4.818 4.460 0.000 0.000 0.275 68 C C 1.878 176.875 174.990 0.012 0.000 1.393 68 C CA -0.524 58.490 59.018 -0.007 0.000 1.703 68 C CB -2.271 25.468 27.740 -0.002 0.000 1.710 68 C HN 0.762 nan 8.230 nan 0.000 0.581 69 L N 1.147 122.388 121.223 0.031 0.000 2.395 69 L HA -0.023 4.317 4.340 0.000 0.000 0.218 69 L C 2.400 179.315 176.870 0.076 0.000 1.130 69 L CA 0.763 55.643 54.840 0.067 0.000 0.826 69 L CB -0.652 41.465 42.059 0.097 0.000 0.941 69 L HN 0.478 nan 8.230 nan 0.000 0.451 70 N N 0.700 119.394 118.700 -0.010 0.000 2.223 70 N HA -0.173 4.568 4.740 0.000 0.000 0.185 70 N C 1.245 176.735 175.510 -0.032 0.000 1.016 70 N CA 1.338 54.314 53.050 -0.124 0.000 0.863 70 N CB -0.256 38.059 38.487 -0.287 0.000 0.983 70 N HN 0.555 nan 8.380 nan 0.000 0.429 71 N N 0.423 119.120 118.700 -0.004 0.000 2.459 71 N HA -0.075 4.665 4.740 0.000 0.000 0.181 71 N C 0.367 175.919 175.510 0.071 0.000 1.046 71 N CA 0.291 53.357 53.050 0.026 0.000 0.904 71 N CB 0.167 38.663 38.487 0.015 0.000 0.964 71 N HN -0.004 nan 8.380 nan 0.000 0.444 72 K N 1.044 121.493 120.400 0.080 0.000 2.248 72 K HA 0.099 4.419 4.320 0.000 0.000 0.281 72 K C -1.567 175.114 176.600 0.136 0.000 1.054 72 K CA -0.382 55.968 56.287 0.106 0.000 0.903 72 K CB 0.017 32.568 32.500 0.086 0.000 1.077 72 K HN -0.021 nan 8.250 nan 0.000 0.474 73 Y N 3.089 123.422 120.300 0.056 0.000 2.341 73 Y HA 0.339 4.889 4.550 0.000 0.000 0.340 73 Y C -0.612 175.362 175.900 0.123 0.000 0.997 73 Y CA 0.131 58.281 58.100 0.082 0.000 1.149 73 Y CB 0.969 39.481 38.460 0.088 0.000 1.171 73 Y HN 0.655 nan 8.280 nan 0.000 0.494 74 S N 6.790 122.452 115.700 -0.063 0.000 2.737 74 S HA 0.562 5.032 4.470 0.000 0.000 0.269 74 S C -1.407 172.982 174.600 -0.352 0.000 1.150 74 S CA -0.912 57.257 58.200 -0.052 0.000 1.077 74 S CB 0.090 63.257 63.200 -0.056 0.000 1.075 74 S HN 0.615 nan 8.310 nan 0.000 0.476 75 L N 3.345 124.299 121.223 -0.448 0.000 2.379 75 L HA 0.852 5.192 4.340 0.000 0.000 0.269 75 L C 1.181 177.515 176.870 -0.893 0.000 1.084 75 L CA 0.342 54.612 54.840 -0.949 0.000 0.802 75 L CB 0.622 42.041 42.059 -1.066 0.000 1.175 75 L HN 1.225 nan 8.230 nan 0.000 0.448 76 G N 0.431 108.465 108.800 -1.277 0.000 2.587 76 G HA2 -0.200 3.760 3.960 0.000 0.000 0.212 76 G HA3 -0.200 3.760 3.960 0.000 0.000 0.212 76 G C -1.444 173.088 174.900 -0.613 0.000 1.327 76 G CA -0.656 44.111 45.100 -0.556 0.000 0.898 76 G HN 0.429 nan 8.290 nan 0.000 0.551 77 Y N -0.238 120.026 120.300 -0.061 0.000 2.630 77 Y HA 0.569 5.119 4.550 0.000 0.000 0.337 77 Y C -1.191 174.696 175.900 -0.021 0.000 1.051 77 Y CA -1.333 56.740 58.100 -0.044 0.000 1.121 77 Y CB 1.462 39.922 38.460 -0.001 0.000 1.299 77 Y HN 0.341 nan 8.280 nan 0.000 0.498 78 P HA -0.233 nan 4.420 nan 0.000 0.217 78 P C 1.421 178.771 177.300 0.084 0.000 1.158 78 P CA 2.828 65.978 63.100 0.083 0.000 0.887 78 P CB 0.038 31.784 31.700 0.077 0.000 0.792 79 G N -0.734 108.128 108.800 0.104 0.000 2.459 79 G HA2 -0.185 3.775 3.960 0.000 0.000 0.217 79 G HA3 -0.185 3.775 3.960 0.000 0.000 0.217 79 G C 0.547 175.500 174.900 0.089 0.000 1.183 79 G CA 0.686 45.835 45.100 0.082 0.000 0.776 79 G HN 0.354 nan 8.290 nan 0.000 0.552 80 Q N 0.298 120.173 119.800 0.126 0.000 2.303 80 Q HA 0.474 4.814 4.340 0.000 0.000 0.267 80 Q C -1.065 175.029 176.000 0.156 0.000 1.011 80 Q CA -0.834 55.048 55.803 0.132 0.000 0.740 80 Q CB 1.712 30.534 28.738 0.140 0.000 1.250 80 Q HN 0.115 nan 8.270 nan 0.000 0.458 81 R N 2.039 122.609 120.500 0.117 0.000 2.643 81 R HA 0.358 4.698 4.340 0.000 0.000 0.272 81 R C 0.284 176.693 176.300 0.182 0.000 0.995 81 R CA -0.694 55.459 56.100 0.089 0.000 1.032 81 R CB 0.377 30.700 30.300 0.038 0.000 1.126 81 R HN 0.576 nan 8.270 nan 0.000 0.505 82 Y N -0.007 120.175 120.300 -0.197 0.000 2.337 82 Y HA 0.013 4.563 4.550 0.000 0.000 0.293 82 Y C 0.397 176.159 175.900 -0.231 0.000 1.123 82 Y CA 0.608 58.533 58.100 -0.292 0.000 1.201 82 Y CB -0.033 38.084 38.460 -0.571 0.000 1.011 82 Y HN 0.405 nan 8.280 nan 0.000 0.545 83 Y N -1.614 118.813 120.300 0.211 0.000 2.730 83 Y HA 0.675 5.225 4.550 0.000 0.000 0.325 83 Y C 0.946 176.895 175.900 0.082 0.000 1.132 83 Y CA -1.863 56.314 58.100 0.128 0.000 1.206 83 Y CB 0.044 38.578 38.460 0.124 0.000 1.390 83 Y HN -0.217 nan 8.280 nan 0.000 0.555 84 G N -1.498 107.452 108.800 0.250 0.000 2.753 84 G HA2 0.452 4.412 3.960 0.000 0.000 0.285 84 G HA3 0.452 4.412 3.960 0.000 0.000 0.285 84 G C 0.322 175.282 174.900 0.101 0.000 1.344 84 G CA -0.719 44.459 45.100 0.131 0.000 1.050 84 G HN 1.383 nan 8.290 nan 0.000 0.532 85 G N -1.384 107.445 108.800 0.048 0.000 2.246 85 G HA2 -0.075 3.885 3.960 0.000 0.000 0.273 85 G HA3 -0.075 3.885 3.960 0.000 0.000 0.273 85 G C 0.655 175.561 174.900 0.011 0.000 1.055 85 G CA 1.334 46.446 45.100 0.020 0.000 0.851 85 G HN 1.760 nan 8.290 nan 0.000 0.500 86 T N -3.256 111.296 114.554 -0.004 0.000 3.228 86 T HA 0.458 4.808 4.350 0.000 0.000 0.278 86 T C 1.233 175.892 174.700 -0.068 0.000 1.014 86 T CA 0.766 62.859 62.100 -0.010 0.000 0.904 86 T CB 0.811 69.690 68.868 0.018 0.000 1.110 86 T HN 0.468 nan 8.240 nan 0.000 0.541 87 E N 1.355 121.452 120.200 -0.173 0.000 2.070 87 E HA -0.284 4.066 4.350 0.000 0.000 0.197 87 E C 1.503 177.965 176.600 -0.231 0.000 1.004 87 E CA 1.631 57.877 56.400 -0.257 0.000 0.805 87 E CB -0.072 29.366 29.700 -0.436 0.000 0.744 87 E HN 0.692 nan 8.360 nan 0.000 0.451 88 H N -0.456 118.627 119.070 0.022 0.000 2.482 88 H HA 0.002 4.558 4.556 0.000 0.000 0.286 88 H C 2.161 177.499 175.328 0.016 0.000 1.017 88 H CA 0.594 56.653 56.048 0.018 0.000 1.322 88 H CB 0.124 29.896 29.762 0.017 0.000 1.426 88 H HN 0.246 nan 8.280 nan 0.000 0.546 89 I N 1.255 121.882 120.570 0.096 0.000 2.394 89 I HA -0.164 4.006 4.170 0.000 0.000 0.251 89 I C 1.600 177.737 176.117 0.033 0.000 1.136 89 I CA 0.856 62.190 61.300 0.057 0.000 1.425 89 I CB -0.595 37.424 38.000 0.032 0.000 1.079 89 I HN 0.115 nan 8.210 nan 0.000 0.425 90 D N 0.852 121.267 120.400 0.025 0.000 2.123 90 D HA -0.129 4.512 4.640 0.000 0.000 0.200 90 D C 2.048 178.369 176.300 0.034 0.000 0.976 90 D CA 0.891 54.905 54.000 0.023 0.000 0.831 90 D CB 0.036 40.845 40.800 0.015 0.000 0.974 90 D HN 0.427 nan 8.370 nan 0.000 0.469 91 E N 0.450 120.680 120.200 0.050 0.000 2.058 91 E HA -0.182 4.168 4.350 0.000 0.000 0.194 91 E C 2.128 178.756 176.600 0.045 0.000 0.997 91 E CA 0.532 56.967 56.400 0.058 0.000 0.801 91 E CB -0.088 29.670 29.700 0.097 0.000 0.746 91 E HN 0.094 nan 8.360 nan 0.000 0.450 92 L N 1.494 122.747 121.223 0.050 0.000 1.994 92 L HA -0.192 4.148 4.340 0.000 0.000 0.208 92 L C 2.248 179.129 176.870 0.018 0.000 1.071 92 L CA 1.933 56.792 54.840 0.032 0.000 0.745 92 L CB -0.330 41.751 42.059 0.036 0.000 0.892 92 L HN 0.058 nan 8.230 nan 0.000 0.431 93 E N -1.376 118.834 120.200 0.016 0.000 2.077 93 E HA -0.217 4.133 4.350 0.000 0.000 0.193 93 E C 1.931 178.539 176.600 0.015 0.000 0.989 93 E CA 1.743 58.148 56.400 0.009 0.000 0.800 93 E CB -0.063 29.642 29.700 0.008 0.000 0.746 93 E HN 0.568 nan 8.360 nan 0.000 0.452 94 T N 1.537 116.104 114.554 0.022 0.000 2.684 94 T HA -0.191 4.160 4.350 0.000 0.000 0.267 94 T C 1.762 176.470 174.700 0.012 0.000 1.036 94 T CA 1.228 63.341 62.100 0.021 0.000 1.148 94 T CB -0.324 68.559 68.868 0.026 0.000 0.863 94 T HN 0.117 nan 8.240 nan 0.000 0.436 95 L N 1.005 122.236 121.223 0.012 0.000 2.012 95 L HA -0.085 4.255 4.340 0.000 0.000 0.210 95 L C 2.680 179.548 176.870 -0.002 0.000 1.073 95 L CA 1.624 56.467 54.840 0.006 0.000 0.748 95 L CB -1.270 40.794 42.059 0.007 0.000 0.891 95 L HN 0.407 nan 8.230 nan 0.000 0.431 96 C N -0.367 118.931 119.300 -0.004 0.000 2.413 96 C HA -0.191 4.269 4.460 0.000 0.000 0.277 96 C C 2.758 177.736 174.990 -0.019 0.000 1.265 96 C CA 1.372 60.383 59.018 -0.013 0.000 1.752 96 C CB -0.872 26.858 27.740 -0.016 0.000 1.998 96 C HN 0.704 nan 8.230 nan 0.000 0.489 97 Q N 0.051 119.840 119.800 -0.020 0.000 2.119 97 Q HA -0.188 4.152 4.340 0.000 0.000 0.201 97 Q C 2.336 178.326 176.000 -0.015 0.000 0.972 97 Q CA 1.503 57.285 55.803 -0.034 0.000 0.847 97 Q CB -0.253 28.471 28.738 -0.023 0.000 0.903 97 Q HN 0.689 nan 8.270 nan 0.000 0.433 98 K N 1.188 121.586 120.400 -0.004 0.000 2.026 98 K HA -0.150 4.170 4.320 0.000 0.000 0.208 98 K C 2.063 178.663 176.600 0.000 0.000 1.048 98 K CA 1.117 57.404 56.287 0.000 0.000 0.929 98 K CB 0.070 32.570 32.500 0.000 0.000 0.713 98 K HN 0.047 nan 8.250 nan 0.000 0.439 99 R N -0.081 120.416 120.500 -0.005 0.000 2.120 99 R HA -0.100 4.240 4.340 0.000 0.000 0.234 99 R C 2.343 178.651 176.300 0.014 0.000 1.123 99 R CA 1.107 57.199 56.100 -0.013 0.000 0.975 99 R CB -0.270 30.015 30.300 -0.024 0.000 0.866 99 R HN 0.263 nan 8.270 nan 0.000 0.446 100 A N 1.218 124.070 122.820 0.054 0.000 1.873 100 A HA -0.110 4.210 4.320 0.000 0.000 0.215 100 A C 2.155 179.907 177.584 0.279 0.000 1.186 100 A CA 1.055 53.204 52.037 0.187 0.000 0.616 100 A CB -0.452 18.608 19.000 0.100 0.000 0.823 100 A HN 0.162 nan 8.150 nan 0.000 0.442 101 L N -1.026 120.288 121.223 0.151 0.000 2.056 101 L HA -0.222 4.118 4.340 0.000 0.000 0.207 101 L C 2.892 179.745 176.870 -0.029 0.000 1.078 101 L CA 1.747 56.631 54.840 0.073 0.000 0.749 101 L CB -0.579 41.502 42.059 0.037 0.000 0.901 101 L HN 0.583 nan 8.230 nan 0.000 0.433 102 Q N 0.254 120.039 119.800 -0.024 0.000 2.020 102 Q HA -0.242 4.098 4.340 0.000 0.000 0.202 102 Q C 2.340 178.271 176.000 -0.115 0.000 0.982 102 Q CA 2.017 57.782 55.803 -0.062 0.000 0.838 102 Q CB -0.158 28.551 28.738 -0.048 0.000 0.899 102 Q HN 0.488 nan 8.270 nan 0.000 0.423 103 A N -0.361 122.376 122.820 -0.138 0.000 1.986 103 A HA -0.202 4.118 4.320 0.000 0.000 0.220 103 A C 1.224 178.525 177.584 -0.472 0.000 1.171 103 A CA 1.539 53.401 52.037 -0.292 0.000 0.640 103 A CB -0.697 18.098 19.000 -0.342 0.000 0.811 103 A HN 0.613 nan 8.150 nan 0.000 0.451 104 Y N -0.827 119.311 120.300 -0.269 0.000 2.485 104 Y HA 0.386 4.936 4.550 0.000 0.000 0.260 104 Y C 1.589 177.221 175.900 -0.447 0.000 1.173 104 Y CA -0.119 57.716 58.100 -0.441 0.000 1.252 104 Y CB -0.115 37.800 38.460 -0.908 0.000 1.123 104 Y HN 0.405 nan 8.280 nan 0.000 0.524 105 G N 1.531 110.206 108.800 -0.210 0.000 2.338 105 G HA2 -0.284 3.676 3.960 0.000 0.000 0.296 105 G HA3 -0.284 3.676 3.960 0.000 0.000 0.296 105 G C -0.376 174.402 174.900 -0.204 0.000 1.040 105 G CA 0.053 45.052 45.100 -0.168 0.000 1.004 105 G HN 0.313 nan 8.290 nan 0.000 0.509 106 L N -0.023 121.056 121.223 -0.240 0.000 2.317 106 L HA 0.466 4.806 4.340 0.000 0.000 0.281 106 L C 0.118 176.974 176.870 -0.024 0.000 1.024 106 L CA -1.127 53.581 54.840 -0.220 0.000 0.810 106 L CB 1.604 43.383 42.059 -0.468 0.000 1.240 106 L HN 0.139 nan 8.230 nan 0.000 0.427 107 D N 5.036 125.484 120.400 0.082 0.000 2.336 107 D HA 0.120 4.760 4.640 0.000 0.000 0.249 107 D C -1.579 174.789 176.300 0.114 0.000 1.213 107 D CA -1.799 52.251 54.000 0.084 0.000 0.870 107 D CB 1.665 42.517 40.800 0.086 0.000 1.076 107 D HN 0.261 nan 8.370 nan 0.000 0.483 108 P HA -0.151 nan 4.420 nan 0.000 0.231 108 P C 0.723 178.059 177.300 0.060 0.000 1.154 108 P CA 0.933 64.073 63.100 0.068 0.000 0.762 108 P CB 0.382 32.106 31.700 0.041 0.000 0.790 109 Q N -1.742 118.092 119.800 0.057 0.000 2.402 109 Q HA 0.039 4.379 4.340 0.000 0.000 0.206 109 Q C 1.565 177.580 176.000 0.025 0.000 0.919 109 Q CA 0.762 56.590 55.803 0.041 0.000 0.923 109 Q CB 0.106 28.866 28.738 0.036 0.000 1.048 109 Q HN 0.318 nan 8.270 nan 0.000 0.515 110 C N -1.471 117.846 119.300 0.029 0.000 3.097 110 C HA 0.218 4.678 4.460 0.000 0.000 0.335 110 C C 0.085 174.887 174.990 -0.314 0.000 1.283 110 C CA -0.649 58.316 59.018 -0.088 0.000 1.778 110 C CB -0.172 27.559 27.740 -0.015 0.000 2.365 110 C HN 0.394 nan 8.230 nan 0.000 0.627 111 W N 0.154 121.422 121.300 -0.054 0.000 2.950 111 W HA 0.598 5.258 4.660 0.000 0.000 0.340 111 W C 0.208 176.619 176.519 -0.181 0.000 1.139 111 W CA -0.108 57.170 57.345 -0.111 0.000 1.188 111 W CB 1.069 30.460 29.460 -0.115 0.000 1.426 111 W HN 0.139 nan 8.180 nan 0.000 0.531 112 G N 0.164 108.861 108.800 -0.173 0.000 2.730 112 G HA2 0.803 4.763 3.960 0.000 0.000 0.289 112 G HA3 0.803 4.763 3.960 0.000 0.000 0.289 112 G C -2.039 172.365 174.900 -0.828 0.000 1.341 112 G CA -0.887 43.893 45.100 -0.534 0.000 0.932 112 G HN 0.364 nan 8.290 nan 0.000 0.481 113 V N 0.580 120.143 119.914 -0.586 0.000 2.891 113 V HA 0.455 4.575 4.120 0.000 0.000 0.304 113 V C -1.163 174.829 176.094 -0.170 0.000 1.171 113 V CA -1.207 60.798 62.300 -0.491 0.000 0.943 113 V CB 2.123 33.614 31.823 -0.554 0.000 1.037 113 V HN 0.755 nan 8.190 nan 0.000 0.427 114 N N 2.187 120.835 118.700 -0.087 0.000 2.372 114 N HA 0.489 5.229 4.740 0.000 0.000 0.291 114 N C -0.008 175.459 175.510 -0.072 0.000 1.024 114 N CA -0.228 52.841 53.050 0.033 0.000 0.873 114 N CB 2.278 40.837 38.487 0.121 0.000 1.206 114 N HN 0.669 nan 8.380 nan 0.000 0.486 115 V N 1.035 120.928 119.914 -0.036 0.000 3.176 115 V HA 0.299 4.419 4.120 0.000 0.000 0.332 115 V C 1.086 177.139 176.094 -0.069 0.000 1.414 115 V CA 0.010 62.264 62.300 -0.076 0.000 1.133 115 V CB 0.148 31.926 31.823 -0.075 0.000 1.088 115 V HN 0.564 nan 8.190 nan 0.000 0.473 116 Q N 0.498 120.256 119.800 -0.070 0.000 2.398 116 Q HA 0.205 4.545 4.340 0.000 0.000 0.204 116 Q C -1.611 174.231 176.000 -0.264 0.000 0.932 116 Q CA -0.589 55.117 55.803 -0.163 0.000 0.916 116 Q CB -0.570 28.044 28.738 -0.207 0.000 1.024 116 Q HN 0.543 nan 8.270 nan 0.000 0.504 117 P HA -0.157 nan 4.420 nan 0.000 0.263 117 P C -0.383 176.810 177.300 -0.178 0.000 1.175 117 P CA 0.759 63.718 63.100 -0.234 0.000 0.761 117 P CB 0.260 31.900 31.700 -0.099 0.000 0.794 118 Y N 0.617 120.843 120.300 -0.123 0.000 2.373 118 Y HA 0.098 4.648 4.550 0.000 0.000 0.293 118 Y C 1.631 177.502 175.900 -0.050 0.000 1.129 118 Y CA 0.881 58.882 58.100 -0.164 0.000 1.226 118 Y CB -0.039 38.298 38.460 -0.204 0.000 1.000 118 Y HN 0.302 nan 8.280 nan 0.000 0.549 119 S N -2.653 113.130 115.700 0.137 0.000 2.724 119 S HA 0.485 4.955 4.470 0.000 0.000 0.278 119 S C 1.102 175.773 174.600 0.118 0.000 1.190 119 S CA -0.262 58.023 58.200 0.141 0.000 0.860 119 S CB 0.337 63.624 63.200 0.147 0.000 1.206 119 S HN 0.194 nan 8.310 nan 0.000 0.507 120 G N 1.493 110.379 108.800 0.142 0.000 2.453 120 G HA2 -0.114 3.846 3.960 0.000 0.000 0.215 120 G HA3 -0.114 3.846 3.960 0.000 0.000 0.215 120 G C 1.472 176.430 174.900 0.096 0.000 1.201 120 G CA 1.537 46.689 45.100 0.087 0.000 0.784 120 G HN 0.671 nan 8.290 nan 0.000 0.545 121 S N 2.076 117.861 115.700 0.140 0.000 2.359 121 S HA -0.124 4.346 4.470 0.000 0.000 0.222 121 S C 0.310 175.008 174.600 0.163 0.000 1.038 121 S CA 1.898 60.209 58.200 0.185 0.000 1.051 121 S CB -1.220 62.099 63.200 0.199 0.000 0.944 121 S HN 0.293 nan 8.310 nan 0.000 0.433 122 P HA -0.130 nan 4.420 nan 0.000 0.216 122 P C 1.534 178.880 177.300 0.077 0.000 1.154 122 P CA 1.675 64.838 63.100 0.105 0.000 0.865 122 P CB -0.167 31.575 31.700 0.069 0.000 0.789 123 A N -0.401 122.438 122.820 0.031 0.000 1.865 123 A HA -0.258 4.063 4.320 0.000 0.000 0.217 123 A C 2.184 179.723 177.584 -0.076 0.000 1.191 123 A CA 2.091 54.117 52.037 -0.017 0.000 0.623 123 A CB -1.560 17.434 19.000 -0.009 0.000 0.826 123 A HN 0.130 nan 8.150 nan 0.000 0.444 124 N N -0.935 117.715 118.700 -0.082 0.000 2.069 124 N HA -0.169 4.571 4.740 0.000 0.000 0.191 124 N C 1.462 176.557 175.510 -0.692 0.000 1.031 124 N CA 1.626 54.478 53.050 -0.330 0.000 0.852 124 N CB -0.686 37.739 38.487 -0.103 0.000 1.018 124 N HN 0.506 nan 8.380 nan 0.000 0.423 125 F N 1.616 121.363 119.950 -0.337 0.000 2.202 125 F HA -0.133 4.394 4.527 0.000 0.000 0.301 125 F C 2.211 177.940 175.800 -0.118 0.000 1.082 125 F CA 1.182 59.107 58.000 -0.125 0.000 1.313 125 F CB -0.230 38.843 39.000 0.122 0.000 1.024 125 F HN 0.044 nan 8.300 nan 0.000 0.495 126 A N -0.594 122.218 122.820 -0.013 0.000 1.902 126 A HA -0.124 4.196 4.320 0.000 0.000 0.217 126 A C 2.301 179.786 177.584 -0.164 0.000 1.181 126 A CA 1.844 53.855 52.037 -0.043 0.000 0.623 126 A CB -1.276 17.711 19.000 -0.023 0.000 0.818 126 A HN 0.221 nan 8.150 nan 0.000 0.443 127 V N -0.907 118.846 119.914 -0.268 0.000 2.343 127 V HA -0.263 3.857 4.120 0.000 0.000 0.247 127 V C 2.442 178.389 176.094 -0.245 0.000 1.051 127 V CA 1.889 64.035 62.300 -0.257 0.000 1.036 127 V CB -1.112 30.557 31.823 -0.256 0.000 0.654 127 V HN 0.649 nan 8.190 nan 0.000 0.451 128 Y N 0.909 121.016 120.300 -0.321 0.000 2.181 128 Y HA -0.193 4.357 4.550 0.000 0.000 0.288 128 Y C 2.829 178.469 175.900 -0.433 0.000 1.146 128 Y CA 1.413 59.153 58.100 -0.601 0.000 1.164 128 Y CB -1.863 35.882 38.460 -1.192 0.000 0.982 128 Y HN 0.211 nan 8.280 nan 0.000 0.515 129 T N -0.134 114.344 114.554 -0.126 0.000 2.881 129 T HA -0.108 4.242 4.350 0.000 0.000 0.270 129 T C 2.084 176.786 174.700 0.002 0.000 1.068 129 T CA 1.227 63.346 62.100 0.031 0.000 1.131 129 T CB -0.391 68.458 68.868 -0.031 0.000 0.871 129 T HN 0.445 nan 8.240 nan 0.000 0.479 130 A N 0.544 123.326 122.820 -0.062 0.000 1.924 130 A HA 0.321 4.641 4.320 0.000 0.000 0.211 130 A C 2.086 179.625 177.584 -0.074 0.000 1.198 130 A CA 0.510 52.502 52.037 -0.074 0.000 0.657 130 A CB -0.204 18.724 19.000 -0.119 0.000 0.852 130 A HN 0.450 nan 8.150 nan 0.000 0.454 131 L N -1.172 119.991 121.223 -0.101 0.000 2.357 131 L HA 0.078 4.418 4.340 0.000 0.000 0.211 131 L C 2.109 178.997 176.870 0.030 0.000 1.075 131 L CA 0.290 55.074 54.840 -0.093 0.000 0.830 131 L CB -0.087 41.797 42.059 -0.293 0.000 0.996 131 L HN 0.168 nan 8.230 nan 0.000 0.467 132 V N -0.819 119.102 119.914 0.012 0.000 2.426 132 V HA 0.040 4.160 4.120 0.000 0.000 0.242 132 V C 0.190 176.382 176.094 0.162 0.000 1.036 132 V CA 0.384 62.717 62.300 0.055 0.000 1.044 132 V CB -0.210 31.540 31.823 -0.121 0.000 0.688 132 V HN 0.489 nan 8.190 nan 0.000 0.462 133 E N -1.260 119.086 120.200 0.243 0.000 8.078 133 E HA -0.130 4.220 4.350 0.000 0.000 0.466 133 E C -2.705 174.067 176.600 0.286 0.000 0.790 133 E CA -0.302 56.234 56.400 0.225 0.000 1.391 133 E CB -1.126 28.648 29.700 0.124 0.000 0.986 133 E HN 0.281 nan 8.360 nan 0.000 0.262 134 P HA -0.141 nan 4.420 nan 0.000 0.259 134 P C -0.244 177.030 177.300 -0.044 0.000 1.163 134 P CA 0.941 63.922 63.100 -0.199 0.000 0.760 134 P CB 0.173 31.765 31.700 -0.180 0.000 0.762 135 H N -0.932 118.150 119.070 0.019 0.000 3.395 135 H HA -0.152 4.404 4.556 0.000 0.000 0.222 135 H C 1.022 176.435 175.328 0.141 0.000 1.099 135 H CA 1.190 57.285 56.048 0.079 0.000 1.182 135 H CB -1.947 27.837 29.762 0.036 0.000 1.188 135 H HN 0.629 nan 8.280 nan 0.000 0.317 136 G N 0.745 109.732 108.800 0.312 0.000 2.594 136 G HA2 0.342 4.302 3.960 0.000 0.000 0.243 136 G HA3 0.342 4.302 3.960 0.000 0.000 0.243 136 G C 0.333 175.347 174.900 0.190 0.000 1.229 136 G CA -0.578 44.656 45.100 0.223 0.000 0.843 136 G HN 0.188 nan 8.290 nan 0.000 0.578 137 R N -0.039 120.506 120.500 0.076 0.000 2.297 137 R HA 0.471 4.811 4.340 0.000 0.000 0.308 137 R C -0.389 176.003 176.300 0.155 0.000 1.029 137 R CA -0.258 55.890 56.100 0.081 0.000 0.929 137 R CB 1.293 31.423 30.300 -0.283 0.000 1.046 137 R HN 0.359 nan 8.270 nan 0.000 0.461 138 I N 3.093 123.804 120.570 0.236 0.000 2.608 138 I HA 0.393 4.563 4.170 0.000 0.000 0.295 138 I C -0.281 175.948 176.117 0.187 0.000 1.049 138 I CA -0.746 60.618 61.300 0.107 0.000 1.063 138 I CB 2.210 40.110 38.000 -0.166 0.000 1.248 138 I HN 0.369 nan 8.210 nan 0.000 0.424 139 M N 4.199 123.889 119.600 0.151 0.000 2.190 139 M HA 0.558 5.038 4.480 0.000 0.000 0.312 139 M C -0.257 176.123 176.300 0.133 0.000 0.990 139 M CA -0.349 55.035 55.300 0.139 0.000 0.927 139 M CB 2.074 34.806 32.600 0.219 0.000 1.571 139 M HN 0.771 nan 8.290 nan 0.000 0.427 140 G N 2.028 110.813 108.800 -0.025 0.000 2.733 140 G HA2 0.648 4.608 3.960 0.000 0.000 0.288 140 G HA3 0.648 4.608 3.960 0.000 0.000 0.288 140 G C -1.902 172.567 174.900 -0.718 0.000 1.373 140 G CA -0.761 44.226 45.100 -0.188 0.000 0.895 140 G HN 0.567 nan 8.290 nan 0.000 0.479 141 L N 0.779 121.529 121.223 -0.788 0.000 2.455 141 L HA 0.319 4.659 4.340 0.000 0.000 0.272 141 L C 0.255 176.890 176.870 -0.391 0.000 1.174 141 L CA -0.465 53.852 54.840 -0.871 0.000 0.869 141 L CB 0.639 42.416 42.059 -0.470 0.000 1.130 141 L HN 0.499 nan 8.230 nan 0.000 0.474 142 D N 2.819 123.008 120.400 -0.353 0.000 2.488 142 D HA -0.029 4.611 4.640 0.000 0.000 0.238 142 D C 1.117 177.342 176.300 -0.126 0.000 1.138 142 D CA 0.065 53.962 54.000 -0.172 0.000 0.873 142 D CB 0.836 41.557 40.800 -0.132 0.000 1.183 142 D HN 0.538 nan 8.370 nan 0.000 0.458 143 L N 5.985 127.156 121.223 -0.086 0.000 1.990 143 L HA -0.100 4.240 4.340 0.000 0.000 0.213 143 L C -0.618 176.179 176.870 -0.120 0.000 1.072 143 L CA 1.726 56.484 54.840 -0.136 0.000 0.755 143 L CB -1.376 40.538 42.059 -0.241 0.000 0.889 143 L HN 0.636 nan 8.230 nan 0.000 0.432 144 P HA -0.130 nan 4.420 nan 0.000 0.225 144 P C 0.124 177.388 177.300 -0.060 0.000 1.148 144 P CA 1.302 64.361 63.100 -0.068 0.000 0.779 144 P CB -0.033 31.642 31.700 -0.040 0.000 0.780 145 D N -0.935 119.421 120.400 -0.073 0.000 2.358 145 D HA 0.295 4.935 4.640 0.000 0.000 0.224 145 D C 1.284 177.539 176.300 -0.075 0.000 1.123 145 D CA 0.505 54.464 54.000 -0.068 0.000 0.833 145 D CB -0.410 40.335 40.800 -0.092 0.000 0.946 145 D HN 0.131 nan 8.370 nan 0.000 0.505 146 G N -0.345 108.411 108.800 -0.073 0.000 2.131 146 G HA2 -0.104 3.856 3.960 0.000 0.000 0.201 146 G HA3 -0.104 3.856 3.960 0.000 0.000 0.201 146 G C 0.635 175.493 174.900 -0.070 0.000 1.000 146 G CA -0.330 44.735 45.100 -0.059 0.000 0.680 146 G HN 0.549 nan 8.290 nan 0.000 0.514 147 G N -1.200 107.549 108.800 -0.086 0.000 2.531 147 G HA2 0.625 4.585 3.960 0.000 0.000 0.313 147 G HA3 0.625 4.585 3.960 0.000 0.000 0.313 147 G C -0.524 174.331 174.900 -0.076 0.000 1.238 147 G CA -0.314 44.764 45.100 -0.036 0.000 0.994 147 G HN 0.653 nan 8.290 nan 0.000 0.493 148 H N -0.944 117.938 119.070 -0.314 0.000 2.573 148 H HA 0.438 4.994 4.556 0.000 0.000 0.351 148 H C 1.445 176.580 175.328 -0.322 0.000 1.163 148 H CA -0.818 54.960 56.048 -0.450 0.000 1.205 148 H CB 1.489 30.811 29.762 -0.733 0.000 1.605 148 H HN 0.198 nan 8.280 nan 0.000 0.525 149 L N 1.201 121.872 121.223 -0.921 0.000 2.013 149 L HA -0.213 4.127 4.340 0.000 0.000 0.212 149 L C 2.195 179.023 176.870 -0.070 0.000 1.073 149 L CA 2.060 56.644 54.840 -0.427 0.000 0.753 149 L CB -0.696 41.104 42.059 -0.432 0.000 0.890 149 L HN 0.843 nan 8.230 nan 0.000 0.432 150 T N -4.676 109.909 114.554 0.051 0.000 3.077 150 T HA -0.193 4.157 4.350 0.000 0.000 0.269 150 T C 1.237 176.256 174.700 0.531 0.000 1.146 150 T CA 1.050 63.392 62.100 0.402 0.000 1.091 150 T CB -0.689 68.498 68.868 0.532 0.000 0.892 150 T HN 0.531 nan 8.240 nan 0.000 0.533 151 H N 0.879 120.104 119.070 0.259 0.000 2.539 151 H HA 0.465 5.021 4.556 0.000 0.000 0.269 151 H C 1.147 176.508 175.328 0.055 0.000 0.980 151 H CA -0.385 55.757 56.048 0.157 0.000 1.152 151 H CB 0.293 30.118 29.762 0.105 0.000 1.407 151 H HN 0.619 nan 8.280 nan 0.000 0.564 152 G N 1.102 110.028 108.800 0.209 0.000 3.014 152 G HA2 0.013 3.973 3.960 0.000 0.000 0.683 152 G HA3 0.013 3.973 3.960 0.000 0.000 0.683 152 G C -1.667 173.361 174.900 0.212 0.000 1.271 152 G CA -0.915 44.279 45.100 0.157 0.000 0.843 152 G HN 0.163 nan 8.290 nan 0.000 0.612 153 F N 4.494 124.447 119.950 0.005 0.000 2.839 153 F HA 0.774 5.301 4.527 0.000 0.000 0.344 153 F C -0.425 175.366 175.800 -0.016 0.000 1.242 153 F CA -0.852 57.134 58.000 -0.024 0.000 1.091 153 F CB 1.306 40.279 39.000 -0.045 0.000 1.374 153 F HN 0.979 nan 8.300 nan 0.000 0.553 154 M N 3.855 123.136 119.600 -0.531 0.000 2.683 154 M HA 0.825 5.305 4.480 0.000 0.000 0.274 154 M C -1.318 174.717 176.300 -0.442 0.000 1.272 154 M CA -0.567 54.416 55.300 -0.529 0.000 0.833 154 M CB 2.340 34.803 32.600 -0.228 0.000 1.708 154 M HN 0.498 nan 8.290 nan 0.000 0.463 155 T N -3.401 110.957 114.554 -0.326 0.000 2.762 155 T HA 0.430 4.780 4.350 0.000 0.000 0.272 155 T C 0.413 175.041 174.700 -0.120 0.000 0.982 155 T CA 0.030 62.016 62.100 -0.192 0.000 1.013 155 T CB 0.927 69.695 68.868 -0.166 0.000 1.309 155 T HN 0.787 nan 8.240 nan 0.000 0.572 156 D N -0.169 120.184 120.400 -0.078 0.000 2.277 156 D HA -0.043 4.597 4.640 0.000 0.000 0.208 156 D C 1.228 177.496 176.300 -0.054 0.000 0.962 156 D CA 0.716 54.683 54.000 -0.055 0.000 0.865 156 D CB 0.038 40.816 40.800 -0.037 0.000 0.939 156 D HN 0.596 nan 8.370 nan 0.000 0.510 157 K N -0.414 119.948 120.400 -0.063 0.000 2.355 157 K HA 0.181 4.501 4.320 0.000 0.000 0.198 157 K C 0.540 177.099 176.600 -0.069 0.000 1.039 157 K CA -0.084 56.170 56.287 -0.055 0.000 1.075 157 K CB 1.222 33.696 32.500 -0.043 0.000 0.870 157 K HN -0.045 nan 8.250 nan 0.000 0.540 158 K N 1.164 121.504 120.400 -0.100 0.000 2.562 158 K HA 0.215 4.535 4.320 0.000 0.000 0.267 158 K C -1.717 174.782 176.600 -0.169 0.000 0.938 158 K CA -0.618 55.600 56.287 -0.115 0.000 0.840 158 K CB 1.661 34.098 32.500 -0.104 0.000 1.390 158 K HN -0.217 nan 8.250 nan 0.000 0.428 159 K N 4.141 124.453 120.400 -0.148 0.000 2.292 159 K HA 0.230 4.550 4.320 0.000 0.000 0.270 159 K C 0.459 176.960 176.600 -0.164 0.000 1.062 159 K CA -0.382 55.805 56.287 -0.167 0.000 0.916 159 K CB 0.941 33.368 32.500 -0.121 0.000 1.166 159 K HN 0.384 nan 8.250 nan 0.000 0.458 160 I N 0.951 121.383 120.570 -0.230 0.000 2.260 160 I HA -0.141 4.029 4.170 0.000 0.000 0.237 160 I C 1.320 177.456 176.117 0.031 0.000 1.075 160 I CA 0.929 62.163 61.300 -0.109 0.000 1.376 160 I CB -0.202 37.711 38.000 -0.144 0.000 1.107 160 I HN 0.509 nan 8.210 nan 0.000 0.420 161 S N 0.727 116.491 115.700 0.108 0.000 2.579 161 S HA 0.312 4.782 4.470 0.000 0.000 0.275 161 S C 1.429 176.122 174.600 0.155 0.000 1.345 161 S CA -0.056 58.251 58.200 0.179 0.000 1.031 161 S CB 1.100 64.449 63.200 0.248 0.000 0.892 161 S HN 0.316 nan 8.310 nan 0.000 0.529 162 A N 3.476 126.437 122.820 0.235 0.000 1.972 162 A HA 0.005 4.325 4.320 0.000 0.000 0.219 162 A C 2.220 180.138 177.584 0.556 0.000 1.169 162 A CA 2.075 54.319 52.037 0.344 0.000 0.635 162 A CB -1.660 17.582 19.000 0.403 0.000 0.810 162 A HN 0.920 nan 8.150 nan 0.000 0.446 163 T N 0.027 114.925 114.554 0.574 0.000 2.759 163 T HA -0.110 4.240 4.350 0.000 0.000 0.269 163 T C 2.112 177.048 174.700 0.393 0.000 1.042 163 T CA 1.803 64.247 62.100 0.573 0.000 1.140 163 T CB -0.234 68.826 68.868 0.320 0.000 0.864 163 T HN 0.471 nan 8.240 nan 0.000 0.455 164 S N 0.434 116.263 115.700 0.216 0.000 2.446 164 S HA 0.207 4.677 4.470 0.000 0.000 0.225 164 S C 1.954 176.557 174.600 0.005 0.000 1.016 164 S CA 0.289 58.549 58.200 0.100 0.000 0.943 164 S CB -0.171 63.044 63.200 0.024 0.000 0.786 164 S HN 0.423 nan 8.310 nan 0.000 0.508 165 I N -0.019 120.490 120.570 -0.101 0.000 2.406 165 I HA -0.062 4.108 4.170 0.000 0.000 0.249 165 I C 1.224 177.013 176.117 -0.546 0.000 1.122 165 I CA 1.233 62.304 61.300 -0.382 0.000 1.431 165 I CB -0.088 37.526 38.000 -0.643 0.000 1.087 165 I HN 0.235 nan 8.210 nan 0.000 0.424 166 F N -0.549 119.335 119.950 -0.110 0.000 2.746 166 F HA 0.255 4.783 4.527 0.000 0.000 0.297 166 F C 0.416 175.672 175.800 -0.907 0.000 1.113 166 F CA -0.068 57.620 58.000 -0.520 0.000 1.367 166 F CB -0.011 38.653 39.000 -0.560 0.000 1.111 166 F HN -0.198 nan 8.300 nan 0.000 0.590 167 F N -0.747 119.248 119.950 0.074 0.000 2.664 167 F HA 0.493 5.020 4.527 0.000 0.000 0.329 167 F C 0.021 175.871 175.800 0.083 0.000 1.090 167 F CA -1.402 56.619 58.000 0.035 0.000 0.978 167 F CB 0.771 39.758 39.000 -0.022 0.000 1.378 167 F HN -0.445 nan 8.300 nan 0.000 0.495 168 E N 1.436 121.830 120.200 0.324 0.000 2.055 168 E HA 0.296 4.646 4.350 0.000 0.000 0.274 168 E C -0.849 175.960 176.600 0.349 0.000 0.949 168 E CA -0.314 56.258 56.400 0.288 0.000 0.775 168 E CB 1.371 31.225 29.700 0.256 0.000 1.097 168 E HN 0.573 nan 8.360 nan 0.000 0.404 169 S N 2.705 118.555 115.700 0.249 0.000 2.549 169 S HA 0.767 5.237 4.470 0.000 0.000 0.297 169 S C 0.040 174.651 174.600 0.018 0.000 1.115 169 S CA -0.866 57.430 58.200 0.160 0.000 1.059 169 S CB 1.864 65.110 63.200 0.077 0.000 1.046 169 S HN 0.486 nan 8.310 nan 0.000 0.506 170 M N 2.417 121.899 119.600 -0.196 0.000 2.322 170 M HA 0.613 5.093 4.480 0.000 0.000 0.286 170 M C -1.066 175.063 176.300 -0.285 0.000 1.111 170 M CA -0.535 54.511 55.300 -0.423 0.000 0.941 170 M CB 1.970 33.900 32.600 -1.116 0.000 1.671 170 M HN 1.021 nan 8.290 nan 0.000 0.470 171 A N 3.242 125.941 122.820 -0.201 0.000 2.264 171 A HA 0.752 5.072 4.320 0.000 0.000 0.304 171 A C -1.509 176.000 177.584 -0.126 0.000 1.100 171 A CA -0.339 51.585 52.037 -0.189 0.000 0.839 171 A CB 0.454 19.352 19.000 -0.170 0.000 1.121 171 A HN 0.840 nan 8.150 nan 0.000 0.496 172 Y N -1.027 119.204 120.300 -0.115 0.000 2.485 172 Y HA 0.774 5.324 4.550 0.000 0.000 0.345 172 Y C -0.236 175.591 175.900 -0.121 0.000 0.998 172 Y CA -1.213 56.814 58.100 -0.123 0.000 1.059 172 Y CB 1.155 39.537 38.460 -0.129 0.000 1.234 172 Y HN 0.633 nan 8.280 nan 0.000 0.461 173 K N 1.614 122.057 120.400 0.072 0.000 2.303 173 K HA 0.747 5.067 4.320 0.000 0.000 0.233 173 K C -0.831 175.773 176.600 0.007 0.000 1.046 173 K CA -1.206 55.076 56.287 -0.009 0.000 0.895 173 K CB 2.152 34.640 32.500 -0.020 0.000 1.220 173 K HN 0.670 nan 8.250 nan 0.000 0.470 174 V N -1.273 118.629 119.914 -0.021 0.000 2.850 174 V HA 0.389 4.509 4.120 0.000 0.000 0.315 174 V C -0.263 175.850 176.094 0.031 0.000 1.064 174 V CA -1.022 61.278 62.300 0.001 0.000 0.979 174 V CB 1.640 33.477 31.823 0.025 0.000 1.039 174 V HN 0.688 nan 8.190 nan 0.000 0.452 175 N N 4.038 122.777 118.700 0.066 0.000 2.475 175 N HA 0.273 5.013 4.740 0.000 0.000 0.267 175 N C -1.561 173.990 175.510 0.069 0.000 1.169 175 N CA -1.672 51.416 53.050 0.064 0.000 0.947 175 N CB 1.616 40.153 38.487 0.082 0.000 1.061 175 N HN 0.646 nan 8.380 nan 0.000 0.466 176 P HA 0.011 nan 4.420 nan 0.000 0.242 176 P C -0.199 177.127 177.300 0.043 0.000 1.197 176 P CA 0.754 63.876 63.100 0.037 0.000 0.765 176 P CB 0.571 32.284 31.700 0.021 0.000 0.936 177 D N -0.774 119.657 120.400 0.052 0.000 2.392 177 D HA -0.008 4.632 4.640 0.000 0.000 0.206 177 D C 1.722 178.067 176.300 0.075 0.000 1.046 177 D CA 1.266 55.296 54.000 0.050 0.000 0.865 177 D CB 0.234 41.057 40.800 0.037 0.000 0.969 177 D HN 0.319 nan 8.370 nan 0.000 0.509 178 T N -3.787 110.838 114.554 0.118 0.000 2.959 178 T HA 0.343 4.693 4.350 0.000 0.000 0.254 178 T C 1.704 176.582 174.700 0.296 0.000 1.003 178 T CA 0.848 63.070 62.100 0.203 0.000 0.950 178 T CB 1.058 70.048 68.868 0.203 0.000 1.090 178 T HN 0.108 nan 8.240 nan 0.000 0.503 179 G N 0.666 109.577 108.800 0.184 0.000 2.184 179 G HA2 -0.247 3.713 3.960 0.000 0.000 0.264 179 G HA3 -0.247 3.713 3.960 0.000 0.000 0.264 179 G C -0.144 174.831 174.900 0.124 0.000 0.975 179 G CA 0.392 45.549 45.100 0.095 0.000 0.642 179 G HN 0.629 nan 8.290 nan 0.000 0.536 180 Y N -0.049 120.342 120.300 0.151 0.000 2.432 180 Y HA 0.662 5.213 4.550 0.000 0.000 0.322 180 Y C 1.421 177.403 175.900 0.137 0.000 1.246 180 Y CA -1.218 57.032 58.100 0.249 0.000 1.268 180 Y CB 0.702 39.277 38.460 0.192 0.000 1.276 180 Y HN 0.105 nan 8.280 nan 0.000 0.499 181 I N 2.118 122.818 120.570 0.216 0.000 2.598 181 I HA -0.071 4.099 4.170 0.000 0.000 0.284 181 I C 0.224 176.194 176.117 -0.244 0.000 1.140 181 I CA 0.261 61.443 61.300 -0.197 0.000 1.420 181 I CB 0.261 37.906 38.000 -0.592 0.000 1.387 181 I HN 0.532 nan 8.210 nan 0.000 0.553 182 D N 6.998 127.300 120.400 -0.165 0.000 2.508 182 D HA 0.011 4.651 4.640 0.000 0.000 0.224 182 D C 0.742 176.945 176.300 -0.161 0.000 1.171 182 D CA 0.020 53.972 54.000 -0.079 0.000 1.006 182 D CB 0.252 41.039 40.800 -0.021 0.000 1.073 182 D HN 0.343 nan 8.370 nan 0.000 0.513 183 Y N 1.160 121.434 120.300 -0.044 0.000 2.274 183 Y HA -0.160 4.390 4.550 0.000 0.000 0.290 183 Y C 2.105 177.955 175.900 -0.082 0.000 1.145 183 Y CA 0.771 58.811 58.100 -0.099 0.000 1.203 183 Y CB 0.087 38.494 38.460 -0.088 0.000 0.984 183 Y HN 0.327 nan 8.280 nan 0.000 0.533 184 D N -0.065 120.391 120.400 0.094 0.000 2.084 184 D HA -0.174 4.466 4.640 0.000 0.000 0.194 184 D C 2.203 178.508 176.300 0.008 0.000 0.990 184 D CA 1.275 55.300 54.000 0.042 0.000 0.826 184 D CB -0.246 40.574 40.800 0.034 0.000 0.971 184 D HN 0.144 nan 8.370 nan 0.000 0.453 185 R N 0.974 121.472 120.500 -0.004 0.000 2.120 185 R HA -0.099 4.241 4.340 0.000 0.000 0.234 185 R C 2.113 178.396 176.300 -0.028 0.000 1.123 185 R CA 0.601 56.693 56.100 -0.013 0.000 0.975 185 R CB -0.803 29.492 30.300 -0.009 0.000 0.866 185 R HN 0.181 nan 8.270 nan 0.000 0.446 186 L N 0.698 121.882 121.223 -0.065 0.000 2.056 186 L HA -0.002 4.338 4.340 0.000 0.000 0.207 186 L C 1.988 178.820 176.870 -0.065 0.000 1.078 186 L CA 2.083 56.857 54.840 -0.110 0.000 0.749 186 L CB -0.786 41.085 42.059 -0.314 0.000 0.901 186 L HN 0.381 nan 8.230 nan 0.000 0.433 187 E N -0.569 119.609 120.200 -0.038 0.000 2.153 187 E HA -0.239 4.111 4.350 0.000 0.000 0.194 187 E C 1.898 178.492 176.600 -0.009 0.000 0.988 187 E CA 1.438 57.830 56.400 -0.014 0.000 0.811 187 E CB 0.015 29.716 29.700 0.002 0.000 0.746 187 E HN 0.700 nan 8.360 nan 0.000 0.466 188 E N -0.012 120.182 120.200 -0.010 0.000 2.028 188 E HA -0.122 4.228 4.350 0.000 0.000 0.190 188 E C 1.978 178.570 176.600 -0.012 0.000 0.984 188 E CA 0.902 57.296 56.400 -0.009 0.000 0.800 188 E CB -0.026 29.670 29.700 -0.006 0.000 0.758 188 E HN 0.199 nan 8.360 nan 0.000 0.448 189 N N 1.037 119.731 118.700 -0.010 0.000 2.223 189 N HA -0.117 4.623 4.740 0.000 0.000 0.185 189 N C 1.607 177.129 175.510 0.020 0.000 1.016 189 N CA 1.172 54.220 53.050 -0.003 0.000 0.863 189 N CB -0.349 38.130 38.487 -0.015 0.000 0.983 189 N HN 0.135 nan 8.380 nan 0.000 0.429 190 A N 1.057 123.889 122.820 0.020 0.000 2.019 190 A HA -0.102 4.218 4.320 0.000 0.000 0.219 190 A C 2.181 179.748 177.584 -0.027 0.000 1.164 190 A CA 1.127 53.193 52.037 0.050 0.000 0.644 190 A CB -0.329 18.695 19.000 0.040 0.000 0.805 190 A HN 0.240 nan 8.150 nan 0.000 0.449 191 R N -0.888 119.574 120.500 -0.063 0.000 2.148 191 R HA 0.125 4.465 4.340 0.000 0.000 0.223 191 R C 1.732 177.828 176.300 -0.341 0.000 1.088 191 R CA 0.992 57.014 56.100 -0.130 0.000 0.985 191 R CB -0.256 30.016 30.300 -0.047 0.000 0.880 191 R HN 0.491 nan 8.270 nan 0.000 0.451 192 L N -1.298 119.790 121.223 -0.225 0.000 2.202 192 L HA 0.008 4.348 4.340 0.000 0.000 0.205 192 L C 1.823 178.550 176.870 -0.239 0.000 1.083 192 L CA 0.511 55.225 54.840 -0.210 0.000 0.790 192 L CB -0.106 41.932 42.059 -0.035 0.000 0.942 192 L HN 0.093 nan 8.230 nan 0.000 0.452 193 F N 0.380 120.160 119.950 -0.282 0.000 2.387 193 F HA 0.033 4.560 4.527 0.000 0.000 0.294 193 F C 0.563 176.335 175.800 -0.047 0.000 1.093 193 F CA 0.128 58.055 58.000 -0.121 0.000 1.420 193 F CB -0.128 38.849 39.000 -0.037 0.000 1.086 193 F HN 0.164 nan 8.300 nan 0.000 0.531 194 H N -0.251 118.830 119.070 0.019 0.000 2.794 194 H HA -0.111 4.445 4.556 0.000 0.000 0.334 194 H C -2.444 172.812 175.328 -0.119 0.000 1.154 194 H CA -0.020 55.989 56.048 -0.065 0.000 1.129 194 H CB -1.696 27.997 29.762 -0.115 0.000 1.600 194 H HN 0.164 nan 8.280 nan 0.000 0.410 195 P HA 0.065 nan 4.420 nan 0.000 0.278 195 P C 0.328 177.684 177.300 0.093 0.000 1.238 195 P CA -0.398 62.788 63.100 0.144 0.000 0.794 195 P CB 1.406 33.273 31.700 0.278 0.000 0.955 196 K N 0.979 121.428 120.400 0.081 0.000 2.356 196 K HA 0.204 4.524 4.320 0.000 0.000 0.195 196 K C 0.478 177.166 176.600 0.146 0.000 1.037 196 K CA 0.215 56.552 56.287 0.084 0.000 1.014 196 K CB 0.237 32.784 32.500 0.079 0.000 0.815 196 K HN 0.422 nan 8.250 nan 0.000 0.507 197 L N 0.479 121.790 121.223 0.146 0.000 2.565 197 L HA 0.431 4.771 4.340 0.000 0.000 0.261 197 L C -1.813 175.151 176.870 0.157 0.000 0.932 197 L CA -0.533 54.415 54.840 0.180 0.000 0.878 197 L CB 1.705 43.855 42.059 0.152 0.000 1.333 197 L HN -0.144 nan 8.230 nan 0.000 0.409 198 I N 5.308 125.985 120.570 0.177 0.000 2.404 198 I HA 0.446 4.616 4.170 0.000 0.000 0.293 198 I C -0.509 175.703 176.117 0.158 0.000 0.992 198 I CA -0.573 60.828 61.300 0.168 0.000 1.149 198 I CB 1.920 40.010 38.000 0.149 0.000 1.315 198 I HN 0.467 nan 8.210 nan 0.000 0.446 199 I N 5.407 126.056 120.570 0.132 0.000 2.336 199 I HA 0.462 4.632 4.170 0.000 0.000 0.292 199 I C 0.234 176.394 176.117 0.072 0.000 0.991 199 I CA -0.410 60.912 61.300 0.035 0.000 1.227 199 I CB 1.640 39.542 38.000 -0.164 0.000 1.366 199 I HN 0.602 nan 8.210 nan 0.000 0.466 200 A N 5.369 128.242 122.820 0.089 0.000 2.399 200 A HA 0.828 5.148 4.320 0.000 0.000 0.327 200 A C -0.024 177.654 177.584 0.158 0.000 1.367 200 A CA -0.378 51.767 52.037 0.179 0.000 0.842 200 A CB 0.473 19.663 19.000 0.315 0.000 1.142 200 A HN 0.905 nan 8.150 nan 0.000 0.495 201 G N 0.597 109.457 108.800 0.100 0.000 2.616 201 G HA2 0.679 4.639 3.960 0.000 0.000 0.294 201 G HA3 0.679 4.639 3.960 0.000 0.000 0.294 201 G C -0.785 174.262 174.900 0.245 0.000 1.489 201 G CA 0.203 45.411 45.100 0.180 0.000 0.836 201 G HN 1.331 nan 8.290 nan 0.000 0.527 202 T N -2.177 112.504 114.554 0.211 0.000 2.864 202 T HA 0.733 5.083 4.350 0.000 0.000 0.299 202 T C 0.417 175.126 174.700 0.015 0.000 1.166 202 T CA -0.073 62.101 62.100 0.125 0.000 1.007 202 T CB 1.853 70.767 68.868 0.077 0.000 1.219 202 T HN 0.483 nan 8.240 nan 0.000 0.506 203 S N -0.697 114.955 115.700 -0.080 0.000 2.514 203 S HA 0.246 4.716 4.470 0.000 0.000 0.223 203 S C 0.578 174.954 174.600 -0.374 0.000 1.046 203 S CA -0.141 57.887 58.200 -0.286 0.000 0.914 203 S CB 0.247 63.417 63.200 -0.050 0.000 0.807 203 S HN 0.896 nan 8.310 nan 0.000 0.497 204 C N 1.982 121.187 119.300 -0.159 0.000 3.421 204 C HA 0.567 5.027 4.460 0.000 0.000 0.194 204 C C -1.557 173.441 174.990 0.014 0.000 1.418 204 C CA -0.507 58.444 59.018 -0.111 0.000 1.226 204 C CB -1.159 26.531 27.740 -0.083 0.000 1.875 204 C HN 0.481 nan 8.230 nan 0.000 0.561 205 Y N 1.986 122.196 120.300 -0.151 0.000 2.354 205 Y HA 0.467 5.018 4.550 0.000 0.000 0.330 205 Y C 0.850 176.675 175.900 -0.126 0.000 1.011 205 Y CA -0.172 57.851 58.100 -0.127 0.000 1.099 205 Y CB 2.022 40.430 38.460 -0.087 0.000 1.179 205 Y HN 0.414 nan 8.280 nan 0.000 0.442 206 S N 4.161 119.594 115.700 -0.444 0.000 2.593 206 S HA 0.334 4.804 4.470 0.000 0.000 0.217 206 S C 0.373 174.712 174.600 -0.435 0.000 0.966 206 S CA -0.179 57.797 58.200 -0.373 0.000 0.914 206 S CB 0.002 63.015 63.200 -0.312 0.000 0.776 206 S HN 0.452 nan 8.310 nan 0.000 0.523 207 R N 1.738 121.774 120.500 -0.775 0.000 2.856 207 R HA 0.495 4.835 4.340 0.000 0.000 0.258 207 R C -0.586 175.631 176.300 -0.139 0.000 1.066 207 R CA -0.838 54.969 56.100 -0.489 0.000 1.045 207 R CB 0.083 29.980 30.300 -0.671 0.000 1.178 207 R HN 0.219 nan 8.270 nan 0.000 0.499 208 N N 0.927 119.627 118.700 -0.000 0.000 2.530 208 N HA 0.192 4.932 4.740 0.000 0.000 0.273 208 N C -0.138 175.424 175.510 0.085 0.000 1.173 208 N CA -0.157 52.925 53.050 0.053 0.000 0.967 208 N CB 0.750 39.257 38.487 0.033 0.000 1.109 208 N HN 0.264 nan 8.380 nan 0.000 0.453 209 L N 0.839 122.009 121.223 -0.089 0.000 2.371 209 L HA 0.115 4.455 4.340 0.000 0.000 0.272 209 L C 0.903 177.513 176.870 -0.435 0.000 1.124 209 L CA -0.426 54.286 54.840 -0.214 0.000 0.816 209 L CB 0.574 42.349 42.059 -0.473 0.000 1.129 209 L HN 0.377 nan 8.230 nan 0.000 0.448 210 D N 2.074 122.360 120.400 -0.191 0.000 2.551 210 D HA -0.004 4.636 4.640 0.000 0.000 0.223 210 D C 0.753 176.889 176.300 -0.274 0.000 1.144 210 D CA -0.013 53.790 54.000 -0.330 0.000 1.025 210 D CB 0.270 40.681 40.800 -0.648 0.000 1.085 210 D HN 0.305 nan 8.370 nan 0.000 0.506 211 Y N 1.159 121.417 120.300 -0.069 0.000 2.207 211 Y HA -0.118 4.432 4.550 0.000 0.000 0.287 211 Y C 2.535 178.242 175.900 -0.322 0.000 1.156 211 Y CA 1.350 59.399 58.100 -0.086 0.000 1.182 211 Y CB -0.732 37.759 38.460 0.052 0.000 0.979 211 Y HN 0.405 nan 8.280 nan 0.000 0.521 212 G N -0.567 107.915 108.800 -0.531 0.000 2.418 212 G HA2 -0.306 3.654 3.960 0.000 0.000 0.217 212 G HA3 -0.306 3.654 3.960 0.000 0.000 0.217 212 G C 1.811 176.530 174.900 -0.302 0.000 1.158 212 G CA 1.057 45.705 45.100 -0.755 0.000 0.771 212 G HN 0.322 nan 8.290 nan 0.000 0.545 213 R N -0.113 120.229 120.500 -0.264 0.000 2.062 213 R HA 0.172 4.512 4.340 0.000 0.000 0.229 213 R C 2.567 178.814 176.300 -0.087 0.000 1.128 213 R CA 0.760 56.739 56.100 -0.202 0.000 0.960 213 R CB -0.437 29.646 30.300 -0.361 0.000 0.855 213 R HN 0.356 nan 8.270 nan 0.000 0.432 214 L N 0.400 121.601 121.223 -0.037 0.000 2.127 214 L HA -0.170 4.170 4.340 0.000 0.000 0.211 214 L C 2.614 179.518 176.870 0.056 0.000 1.089 214 L CA 1.346 56.218 54.840 0.053 0.000 0.757 214 L CB -0.370 41.760 42.059 0.118 0.000 0.899 214 L HN 0.195 nan 8.230 nan 0.000 0.434 215 R N 0.921 121.445 120.500 0.040 0.000 2.092 215 R HA -0.139 4.201 4.340 0.000 0.000 0.231 215 R C 2.076 178.413 176.300 0.061 0.000 1.119 215 R CA 1.519 57.661 56.100 0.071 0.000 0.970 215 R CB -0.197 30.150 30.300 0.077 0.000 0.864 215 R HN 0.216 nan 8.270 nan 0.000 0.440 216 K N -0.053 120.358 120.400 0.018 0.000 2.097 216 K HA -0.048 4.272 4.320 0.000 0.000 0.206 216 K C 2.030 178.646 176.600 0.028 0.000 1.049 216 K CA 1.728 58.027 56.287 0.019 0.000 0.933 216 K CB -0.180 32.313 32.500 -0.011 0.000 0.717 216 K HN 0.222 nan 8.250 nan 0.000 0.442 217 I N 0.878 121.463 120.570 0.026 0.000 2.315 217 I HA -0.230 3.940 4.170 0.000 0.000 0.248 217 I C 2.515 178.662 176.117 0.049 0.000 1.117 217 I CA 0.846 62.163 61.300 0.028 0.000 1.404 217 I CB -0.422 37.587 38.000 0.015 0.000 1.071 217 I HN 0.144 nan 8.210 nan 0.000 0.419 218 A N 0.848 123.713 122.820 0.075 0.000 1.858 218 A HA -0.230 4.090 4.320 0.000 0.000 0.216 218 A C 1.966 179.598 177.584 0.080 0.000 1.190 218 A CA 1.990 54.089 52.037 0.103 0.000 0.617 218 A CB -0.612 18.493 19.000 0.175 0.000 0.827 218 A HN 0.328 nan 8.150 nan 0.000 0.443 219 D N -0.715 119.738 120.400 0.089 0.000 2.218 219 D HA -0.145 4.495 4.640 0.000 0.000 0.204 219 D C 1.808 178.127 176.300 0.031 0.000 0.976 219 D CA 1.284 55.320 54.000 0.060 0.000 0.853 219 D CB -0.316 40.528 40.800 0.073 0.000 0.939 219 D HN 0.730 nan 8.370 nan 0.000 0.481 220 E N 0.404 120.625 120.200 0.034 0.000 2.153 220 E HA -0.112 4.238 4.350 0.000 0.000 0.194 220 E C 0.997 177.615 176.600 0.030 0.000 0.988 220 E CA 0.726 57.142 56.400 0.027 0.000 0.811 220 E CB 0.207 29.922 29.700 0.025 0.000 0.746 220 E HN 0.200 nan 8.360 nan 0.000 0.466 221 N N -0.857 117.865 118.700 0.037 0.000 2.230 221 N HA 0.054 4.794 4.740 0.000 0.000 0.202 221 N C 0.690 176.211 175.510 0.018 0.000 1.119 221 N CA 0.722 53.802 53.050 0.050 0.000 0.851 221 N CB 1.460 39.991 38.487 0.073 0.000 0.990 221 N HN 0.255 nan 8.380 nan 0.000 0.497 222 G N 0.877 109.668 108.800 -0.015 0.000 2.155 222 G HA2 -0.298 3.662 3.960 0.000 0.000 0.257 222 G HA3 -0.298 3.662 3.960 0.000 0.000 0.257 222 G C 0.373 175.185 174.900 -0.146 0.000 0.983 222 G CA 0.507 45.559 45.100 -0.080 0.000 0.676 222 G HN 0.606 nan 8.290 nan 0.000 0.528 223 A N -1.061 121.714 122.820 -0.075 0.000 2.249 223 A HA 0.797 5.117 4.320 0.000 0.000 0.281 223 A C -0.141 177.373 177.584 -0.118 0.000 1.127 223 A CA -0.397 51.601 52.037 -0.065 0.000 0.833 223 A CB 0.602 19.639 19.000 0.062 0.000 1.140 223 A HN 0.608 nan 8.150 nan 0.000 0.502 224 Y N -1.324 118.998 120.300 0.036 0.000 2.387 224 Y HA 0.500 5.050 4.550 0.000 0.000 0.330 224 Y C -0.109 175.929 175.900 0.231 0.000 1.133 224 Y CA -0.442 57.687 58.100 0.049 0.000 1.152 224 Y CB 1.716 40.174 38.460 -0.003 0.000 1.215 224 Y HN 0.480 nan 8.280 nan 0.000 0.466 225 L N 5.220 126.845 121.223 0.670 0.000 2.277 225 L HA 0.500 4.840 4.340 0.000 0.000 0.284 225 L C -0.828 176.217 176.870 0.291 0.000 1.028 225 L CA -0.467 54.599 54.840 0.377 0.000 0.835 225 L CB 0.524 42.738 42.059 0.259 0.000 1.215 225 L HN 0.706 nan 8.230 nan 0.000 0.425 226 M N 4.788 124.509 119.600 0.202 0.000 2.336 226 M HA 0.753 5.233 4.480 0.000 0.000 0.342 226 M C -0.875 175.465 176.300 0.068 0.000 1.128 226 M CA -0.493 54.881 55.300 0.124 0.000 1.016 226 M CB 1.556 34.225 32.600 0.114 0.000 1.665 226 M HN 0.741 nan 8.290 nan 0.000 0.445 227 A N 3.493 126.308 122.820 -0.008 0.000 2.287 227 A HA 0.415 4.735 4.320 0.000 0.000 0.317 227 A C -1.173 176.386 177.584 -0.042 0.000 1.220 227 A CA -0.587 51.421 52.037 -0.048 0.000 0.835 227 A CB 0.608 19.443 19.000 -0.274 0.000 1.180 227 A HN 0.767 nan 8.150 nan 0.000 0.500 228 D N 3.539 123.957 120.400 0.029 0.000 2.485 228 D HA 0.262 4.902 4.640 0.000 0.000 0.221 228 D C 0.717 177.066 176.300 0.081 0.000 1.112 228 D CA -0.361 53.684 54.000 0.074 0.000 0.911 228 D CB 0.398 41.324 40.800 0.210 0.000 1.019 228 D HN 0.528 nan 8.370 nan 0.000 0.516 229 M N 1.333 120.938 119.600 0.008 0.000 2.631 229 M HA 0.399 4.879 4.480 0.000 0.000 0.241 229 M C 1.228 177.556 176.300 0.048 0.000 1.255 229 M CA -0.458 54.859 55.300 0.028 0.000 0.983 229 M CB 0.722 33.275 32.600 -0.078 0.000 1.580 229 M HN 0.113 nan 8.290 nan 0.000 0.464 230 A N 0.556 123.405 122.820 0.050 0.000 1.903 230 A HA -0.232 4.089 4.320 0.000 0.000 0.219 230 A C 1.755 179.325 177.584 -0.023 0.000 1.191 230 A CA 2.203 54.235 52.037 -0.008 0.000 0.638 230 A CB -1.134 17.841 19.000 -0.042 0.000 0.823 230 A HN 0.757 nan 8.150 nan 0.000 0.451 231 H N -0.855 118.215 119.070 0.001 0.000 2.524 231 H HA 0.142 4.698 4.556 0.000 0.000 0.282 231 H C 1.409 176.678 175.328 -0.097 0.000 1.016 231 H CA 1.426 57.488 56.048 0.024 0.000 1.270 231 H CB 0.058 29.924 29.762 0.173 0.000 1.394 231 H HN 0.666 nan 8.280 nan 0.000 0.568 232 I N -2.209 118.390 120.570 0.049 0.000 4.102 232 I HA 0.222 4.392 4.170 0.000 0.000 0.325 232 I C 1.444 177.588 176.117 0.046 0.000 1.471 232 I CA 0.142 61.437 61.300 -0.009 0.000 1.133 232 I CB 0.505 38.562 38.000 0.094 0.000 1.184 232 I HN 0.018 nan 8.210 nan 0.000 0.451 233 S N 1.417 117.161 115.700 0.073 0.000 2.383 233 S HA -0.111 4.359 4.470 0.000 0.000 0.229 233 S C 1.954 176.702 174.600 0.247 0.000 1.030 233 S CA 1.491 59.811 58.200 0.201 0.000 1.002 233 S CB -1.151 62.170 63.200 0.202 0.000 0.829 233 S HN 0.594 nan 8.310 nan 0.000 0.467 234 G N 1.654 110.550 108.800 0.159 0.000 2.402 234 G HA2 0.012 3.972 3.960 0.000 0.000 0.216 234 G HA3 0.012 3.972 3.960 0.000 0.000 0.216 234 G C 1.302 176.274 174.900 0.119 0.000 1.162 234 G CA 0.823 46.065 45.100 0.236 0.000 0.777 234 G HN 0.454 nan 8.290 nan 0.000 0.539 235 L N 0.632 121.860 121.223 0.009 0.000 2.141 235 L HA 0.008 4.348 4.340 0.000 0.000 0.209 235 L C 2.991 179.889 176.870 0.047 0.000 1.094 235 L CA 0.715 55.542 54.840 -0.022 0.000 0.763 235 L CB -0.682 41.355 42.059 -0.037 0.000 0.908 235 L HN 0.078 nan 8.230 nan 0.000 0.437 236 V N -1.539 118.443 119.914 0.114 0.000 2.358 236 V HA -0.220 3.900 4.120 0.000 0.000 0.246 236 V C 2.403 178.565 176.094 0.113 0.000 1.047 236 V CA 1.245 63.642 62.300 0.161 0.000 1.035 236 V CB -0.313 31.675 31.823 0.275 0.000 0.658 236 V HN 0.225 nan 8.190 nan 0.000 0.452 237 V N 0.292 120.233 119.914 0.046 0.000 2.427 237 V HA -0.170 3.950 4.120 0.000 0.000 0.248 237 V C 2.420 178.508 176.094 -0.010 0.000 1.051 237 V CA 1.859 64.070 62.300 -0.150 0.000 1.048 237 V CB -0.716 30.962 31.823 -0.241 0.000 0.666 237 V HN 0.561 nan 8.190 nan 0.000 0.456 238 A N -0.600 122.259 122.820 0.065 0.000 2.238 238 A HA 0.390 4.710 4.320 0.000 0.000 0.208 238 A C 1.919 179.509 177.584 0.010 0.000 1.177 238 A CA 0.849 52.913 52.037 0.045 0.000 0.804 238 A CB -0.656 18.335 19.000 -0.015 0.000 0.823 238 A HN 1.150 nan 8.150 nan 0.000 0.482 239 G N -1.431 107.379 108.800 0.016 0.000 2.203 239 G HA2 -0.272 3.688 3.960 0.000 0.000 0.263 239 G HA3 -0.272 3.688 3.960 0.000 0.000 0.263 239 G C 0.784 175.692 174.900 0.014 0.000 1.012 239 G CA 0.542 45.653 45.100 0.018 0.000 0.749 239 G HN 0.702 nan 8.290 nan 0.000 0.512 240 V N -0.691 119.226 119.914 0.004 0.000 3.129 240 V HA 0.235 4.355 4.120 0.000 0.000 0.259 240 V C 1.405 177.506 176.094 0.012 0.000 1.116 240 V CA 1.599 63.894 62.300 -0.009 0.000 1.127 240 V CB 0.129 31.924 31.823 -0.047 0.000 0.742 240 V HN 1.196 nan 8.190 nan 0.000 0.474 241 V N -4.039 115.899 119.914 0.039 0.000 2.971 241 V HA 0.644 4.765 4.120 0.000 0.000 0.309 241 V C -3.037 173.114 176.094 0.096 0.000 1.130 241 V CA -2.825 59.514 62.300 0.064 0.000 0.964 241 V CB 1.382 33.251 31.823 0.077 0.000 1.029 241 V HN 0.009 nan 8.190 nan 0.000 0.427 242 P HA 0.091 nan 4.420 nan 0.000 0.264 242 P C -0.076 177.338 177.300 0.190 0.000 1.179 242 P CA 0.634 63.826 63.100 0.153 0.000 0.763 242 P CB 0.368 32.174 31.700 0.178 0.000 0.806 243 S N 3.661 119.448 115.700 0.145 0.000 2.523 243 S HA 0.271 4.741 4.470 0.000 0.000 0.275 243 S C -1.296 173.268 174.600 -0.060 0.000 1.281 243 S CA -1.414 56.837 58.200 0.085 0.000 1.050 243 S CB 0.159 63.427 63.200 0.113 0.000 0.937 243 S HN 0.318 nan 8.310 nan 0.000 0.492 244 P HA 0.064 nan 4.420 nan 0.000 0.241 244 P C 0.763 177.628 177.300 -0.726 0.000 1.191 244 P CA 0.444 62.911 63.100 -1.056 0.000 0.771 244 P CB -0.064 30.810 31.700 -1.377 0.000 0.929 245 F N 1.010 120.717 119.950 -0.406 0.000 2.546 245 F HA -0.013 4.514 4.527 0.000 0.000 0.298 245 F C 2.444 178.170 175.800 -0.122 0.000 1.120 245 F CA 0.897 58.660 58.000 -0.395 0.000 1.456 245 F CB -0.655 37.927 39.000 -0.696 0.000 1.088 245 F HN 0.027 nan 8.300 nan 0.000 0.572 246 E N -0.709 119.465 120.200 -0.044 0.000 2.112 246 E HA -0.159 4.191 4.350 0.000 0.000 0.190 246 E C 1.180 177.556 176.600 -0.373 0.000 0.979 246 E CA 1.224 57.508 56.400 -0.195 0.000 0.814 246 E CB 0.044 29.551 29.700 -0.322 0.000 0.762 246 E HN 0.525 nan 8.360 nan 0.000 0.460 247 H N -2.023 117.059 119.070 0.019 0.000 3.058 247 H HA 0.261 4.817 4.556 0.000 0.000 0.258 247 H C 0.210 175.487 175.328 -0.085 0.000 1.015 247 H CA -0.410 55.638 56.048 -0.001 0.000 1.210 247 H CB 0.485 30.276 29.762 0.048 0.000 1.481 247 H HN 0.040 nan 8.280 nan 0.000 0.492 248 C N 0.626 119.923 119.300 -0.004 0.000 2.500 248 C HA 0.121 4.581 4.460 0.000 0.000 0.367 248 C C 1.522 176.486 174.990 -0.043 0.000 1.283 248 C CA -0.145 58.843 59.018 -0.052 0.000 2.456 248 C CB 0.900 28.582 27.740 -0.098 0.000 2.457 248 C HN 0.638 nan 8.230 nan 0.000 0.632 249 H N -0.794 118.367 119.070 0.153 0.000 2.486 249 H HA 0.290 4.846 4.556 0.000 0.000 0.287 249 H C 0.067 175.424 175.328 0.049 0.000 1.010 249 H CA 0.672 56.743 56.048 0.038 0.000 1.324 249 H CB 0.228 30.108 29.762 0.197 0.000 1.446 249 H HN 0.321 nan 8.280 nan 0.000 0.537 250 V N 0.877 120.947 119.914 0.259 0.000 2.925 250 V HA 0.386 4.506 4.120 0.000 0.000 0.311 250 V C -1.027 175.159 176.094 0.152 0.000 1.104 250 V CA -0.938 61.514 62.300 0.254 0.000 0.954 250 V CB 3.014 34.914 31.823 0.128 0.000 1.022 250 V HN -0.132 nan 8.190 nan 0.000 0.427 251 V N 2.605 122.614 119.914 0.158 0.000 2.569 251 V HA 0.614 4.734 4.120 0.000 0.000 0.301 251 V C 0.043 176.199 176.094 0.103 0.000 1.044 251 V CA -0.371 61.883 62.300 -0.075 0.000 0.874 251 V CB 2.205 33.667 31.823 -0.601 0.000 1.002 251 V HN 1.072 nan 8.190 nan 0.000 0.424 252 T N 0.597 115.175 114.554 0.040 0.000 2.952 252 T HA 0.873 5.223 4.350 0.000 0.000 0.286 252 T C -0.301 174.433 174.700 0.056 0.000 1.024 252 T CA -0.707 61.434 62.100 0.068 0.000 1.029 252 T CB 2.190 71.072 68.868 0.023 0.000 1.094 252 T HN 0.812 nan 8.240 nan 0.000 0.515 253 T N 0.599 115.190 114.554 0.061 0.000 3.003 253 T HA 0.510 4.860 4.350 0.000 0.000 0.354 253 T C -0.505 174.210 174.700 0.025 0.000 1.651 253 T CA -0.301 61.826 62.100 0.044 0.000 1.103 253 T CB 1.156 70.073 68.868 0.082 0.000 1.450 253 T HN 1.241 nan 8.240 nan 0.000 0.484 254 T N 0.496 115.027 114.554 -0.039 0.000 2.849 254 T HA 0.478 4.828 4.350 0.000 0.000 0.284 254 T C 1.393 176.064 174.700 -0.048 0.000 1.004 254 T CA 0.269 62.323 62.100 -0.078 0.000 1.021 254 T CB 1.036 69.675 68.868 -0.381 0.000 1.013 254 T HN 0.842 nan 8.240 nan 0.000 0.527 255 T N -2.805 111.777 114.554 0.048 0.000 3.054 255 T HA 0.151 4.501 4.350 0.000 0.000 0.255 255 T C 0.971 175.735 174.700 0.105 0.000 1.035 255 T CA -0.268 61.882 62.100 0.083 0.000 0.941 255 T CB -0.426 68.502 68.868 0.101 0.000 1.026 255 T HN 0.874 nan 8.240 nan 0.000 0.533 256 H N 1.037 120.122 119.070 0.026 0.000 3.310 256 H HA 0.580 5.136 4.556 0.000 0.000 0.176 256 H C 0.743 176.072 175.328 0.002 0.000 1.558 256 H CA -0.405 55.651 56.048 0.014 0.000 1.693 256 H CB -0.136 29.624 29.762 -0.002 0.000 1.226 256 H HN 0.076 nan 8.280 nan 0.000 0.938 257 K N -1.528 118.871 120.400 -0.003 0.000 1.844 257 K HA -0.266 4.054 4.320 0.000 0.000 0.160 257 K C 1.593 178.172 176.600 -0.036 0.000 1.448 257 K CA 1.988 58.202 56.287 -0.121 0.000 0.446 257 K CB -1.797 30.491 32.500 -0.353 0.000 0.635 257 K HN 0.834 nan 8.250 nan 0.000 0.848 258 T N -0.171 114.330 114.554 -0.089 0.000 2.962 258 T HA -0.058 4.292 4.350 0.000 0.000 0.270 258 T C 1.668 176.482 174.700 0.190 0.000 1.088 258 T CA 1.446 63.550 62.100 0.006 0.000 1.127 258 T CB 0.021 68.794 68.868 -0.157 0.000 0.883 258 T HN 0.329 nan 8.240 nan 0.000 0.493 259 L N 1.011 122.330 121.223 0.161 0.000 2.395 259 L HA 0.403 4.743 4.340 0.000 0.000 0.218 259 L C 1.611 178.615 176.870 0.223 0.000 1.130 259 L CA 0.839 55.824 54.840 0.241 0.000 0.826 259 L CB -1.111 41.034 42.059 0.143 0.000 0.941 259 L HN 0.413 nan 8.230 nan 0.000 0.451 260 R N -1.177 119.436 120.500 0.189 0.000 3.651 260 R HA -0.171 4.169 4.340 0.000 0.000 0.292 260 R C 0.688 177.049 176.300 0.101 0.000 1.161 260 R CA 0.419 56.612 56.100 0.155 0.000 0.787 260 R CB -1.697 28.721 30.300 0.197 0.000 1.249 260 R HN 0.576 nan 8.270 nan 0.000 0.476 261 G N -0.599 108.259 108.800 0.098 0.000 2.849 261 G HA2 0.481 4.441 3.960 0.000 0.000 0.174 261 G HA3 0.481 4.441 3.960 0.000 0.000 0.174 261 G C 0.428 175.382 174.900 0.090 0.000 1.370 261 G CA -0.140 45.003 45.100 0.072 0.000 1.040 261 G HN 0.486 nan 8.290 nan 0.000 0.582 262 C N -1.934 117.410 119.300 0.073 0.000 2.365 262 C HA 0.781 5.241 4.460 0.000 0.000 0.374 262 C C 0.526 175.558 174.990 0.070 0.000 1.318 262 C CA -1.291 57.758 59.018 0.052 0.000 2.239 262 C CB 0.311 28.072 27.740 0.035 0.000 2.144 262 C HN 0.608 nan 8.230 nan 0.000 0.581 263 R N 1.131 121.622 120.500 -0.016 0.000 2.316 263 R HA 0.586 4.926 4.340 0.000 0.000 0.314 263 R C 0.068 176.410 176.300 0.069 0.000 1.069 263 R CA 0.798 56.870 56.100 -0.046 0.000 0.959 263 R CB 0.447 30.610 30.300 -0.228 0.000 0.987 263 R HN 1.068 nan 8.270 nan 0.000 0.446 264 A N 1.571 124.487 122.820 0.160 0.000 2.515 264 A HA 0.720 5.040 4.320 0.000 0.000 0.292 264 A C -1.194 176.456 177.584 0.111 0.000 1.065 264 A CA -0.402 51.699 52.037 0.107 0.000 0.641 264 A CB 1.244 20.277 19.000 0.055 0.000 1.306 264 A HN 0.705 nan 8.150 nan 0.000 0.441 265 G N -0.765 108.066 108.800 0.051 0.000 2.658 265 G HA2 0.708 4.668 3.960 0.000 0.000 0.292 265 G HA3 0.708 4.668 3.960 0.000 0.000 0.292 265 G C -1.021 173.867 174.900 -0.020 0.000 1.320 265 G CA -0.681 44.437 45.100 0.030 0.000 0.933 265 G HN 0.745 nan 8.290 nan 0.000 0.476 266 M N 0.208 119.788 119.600 -0.032 0.000 2.484 266 M HA 0.493 4.973 4.480 0.000 0.000 0.289 266 M C -1.286 174.949 176.300 -0.108 0.000 1.206 266 M CA -0.470 54.754 55.300 -0.126 0.000 0.892 266 M CB 3.128 35.597 32.600 -0.219 0.000 1.712 266 M HN 0.237 nan 8.290 nan 0.000 0.462 267 I N 2.064 122.541 120.570 -0.156 0.000 2.410 267 I HA 0.428 4.598 4.170 0.000 0.000 0.286 267 I C -1.392 174.682 176.117 -0.072 0.000 1.009 267 I CA -0.347 60.941 61.300 -0.019 0.000 1.111 267 I CB 1.241 39.275 38.000 0.055 0.000 1.262 267 I HN 0.498 nan 8.210 nan 0.000 0.443 268 F N 6.621 126.620 119.950 0.082 0.000 2.404 268 F HA 0.516 5.043 4.527 0.000 0.000 0.339 268 F C -0.224 175.751 175.800 0.290 0.000 1.105 268 F CA -0.450 57.599 58.000 0.082 0.000 1.087 268 F CB 1.190 40.284 39.000 0.156 0.000 1.143 268 F HN 0.299 nan 8.300 nan 0.000 0.491 269 Y N 0.009 120.631 120.300 0.537 0.000 2.504 269 Y HA 0.638 5.188 4.550 0.000 0.000 0.344 269 Y C -0.596 175.191 175.900 -0.188 0.000 1.023 269 Y CA -2.045 56.166 58.100 0.183 0.000 1.020 269 Y CB 0.827 39.285 38.460 -0.003 0.000 1.282 269 Y HN 0.426 nan 8.280 nan 0.000 0.454 270 R N 2.582 122.718 120.500 -0.606 0.000 2.694 270 R HA 0.442 4.782 4.340 0.000 0.000 0.268 270 R C -0.484 175.498 176.300 -0.531 0.000 1.061 270 R CA -0.368 55.064 56.100 -1.113 0.000 1.133 270 R CB 0.640 30.041 30.300 -1.498 0.000 1.020 270 R HN 0.802 nan 8.270 nan 0.000 0.475 271 R N -0.181 120.089 120.500 -0.383 0.000 2.744 271 R HA 0.488 4.828 4.340 0.000 0.000 0.279 271 R C -0.241 176.101 176.300 0.070 0.000 0.977 271 R CA 0.050 56.127 56.100 -0.038 0.000 0.906 271 R CB 2.284 32.596 30.300 0.020 0.000 1.197 271 R HN 0.893 nan 8.270 nan 0.000 0.463 272 G N 0.505 109.405 108.800 0.167 0.000 2.451 272 G HA2 -0.218 3.742 3.960 0.000 0.000 0.208 272 G HA3 -0.218 3.742 3.960 0.000 0.000 0.208 272 G C -1.164 173.830 174.900 0.157 0.000 1.248 272 G CA -0.650 44.536 45.100 0.142 0.000 0.989 272 G HN 0.437 nan 8.290 nan 0.000 0.559 273 V N 2.065 122.021 119.914 0.069 0.000 2.508 273 V HA 0.380 4.500 4.120 0.000 0.000 0.281 273 V C 1.801 177.804 176.094 -0.152 0.000 1.041 273 V CA 1.160 63.434 62.300 -0.044 0.000 1.016 273 V CB 1.198 33.005 31.823 -0.027 0.000 0.984 273 V HN 0.896 nan 8.190 nan 0.000 0.478 274 R N 3.378 123.581 120.500 -0.494 0.000 2.052 274 R HA 0.061 4.401 4.340 0.000 0.000 0.224 274 R C 0.837 176.968 176.300 -0.281 0.000 1.149 274 R CA 1.212 56.815 56.100 -0.827 0.000 0.962 274 R CB 0.278 29.895 30.300 -1.138 0.000 0.856 274 R HN 0.843 nan 8.270 nan 0.000 0.433 275 S N -1.410 114.163 115.700 -0.212 0.000 2.720 275 S HA 0.515 4.985 4.470 0.000 0.000 0.287 275 S C 0.070 174.621 174.600 -0.081 0.000 1.168 275 S CA -0.535 57.602 58.200 -0.104 0.000 0.832 275 S CB 1.620 64.765 63.200 -0.091 0.000 1.166 275 S HN 0.096 nan 8.310 nan 0.000 0.493 276 V N -1.683 118.201 119.914 -0.050 0.000 6.654 276 V HA 0.732 4.852 4.120 0.000 0.000 0.271 276 V C -0.423 175.650 176.094 -0.036 0.000 1.660 276 V CA -0.004 62.273 62.300 -0.039 0.000 0.586 276 V CB 0.285 32.093 31.823 -0.024 0.000 1.532 276 V HN 1.085 nan 8.190 nan 0.000 0.371 283 E N 2.801 122.980 120.200 -0.035 0.000 2.202 283 E HA 0.423 4.773 4.350 0.000 0.000 0.272 283 E C -0.252 176.311 176.600 -0.062 0.000 0.951 283 E CA -0.754 55.617 56.400 -0.049 0.000 0.813 283 E CB 1.744 31.417 29.700 -0.045 0.000 1.151 283 E HN 0.215 nan 8.360 nan 0.000 0.398 284 I N 0.113 120.629 120.570 -0.090 0.000 2.460 284 I HA 0.472 4.642 4.170 0.000 0.000 0.298 284 I C -0.369 175.656 176.117 -0.155 0.000 0.989 284 I CA -1.209 60.027 61.300 -0.107 0.000 1.173 284 I CB 1.253 39.184 38.000 -0.114 0.000 1.338 284 I HN 0.361 nan 8.210 nan 0.000 0.456 285 L N 4.219 125.368 121.223 -0.123 0.000 2.416 285 L HA 0.414 4.754 4.340 0.000 0.000 0.262 285 L C -0.676 176.108 176.870 -0.142 0.000 1.093 285 L CA -0.845 53.921 54.840 -0.123 0.000 0.801 285 L CB 0.780 42.819 42.059 -0.034 0.000 1.191 285 L HN 0.511 nan 8.230 nan 0.000 0.459 286 Y N 0.677 120.977 120.300 0.001 0.000 2.359 286 Y HA 0.035 4.585 4.550 0.000 0.000 0.330 286 Y C 0.967 176.861 175.900 -0.010 0.000 1.143 286 Y CA 0.119 58.226 58.100 0.011 0.000 1.318 286 Y CB 0.375 38.839 38.460 0.006 0.000 1.234 286 Y HN 0.514 nan 8.280 nan 0.000 0.522 287 N N 3.022 121.823 118.700 0.168 0.000 2.235 287 N HA 0.133 4.873 4.740 0.000 0.000 0.231 287 N C 0.785 176.280 175.510 -0.025 0.000 1.177 287 N CA 0.049 53.128 53.050 0.049 0.000 0.874 287 N CB 0.307 38.813 38.487 0.033 0.000 1.097 287 N HN 0.664 nan 8.380 nan 0.000 0.518 288 L N 0.633 121.839 121.223 -0.028 0.000 1.976 288 L HA -0.156 4.184 4.340 0.000 0.000 0.209 288 L C 2.370 178.969 176.870 -0.452 0.000 1.071 288 L CA 1.391 56.107 54.840 -0.206 0.000 0.746 288 L CB -0.696 41.266 42.059 -0.162 0.000 0.890 288 L HN 0.334 nan 8.230 nan 0.000 0.432 289 E N 0.712 120.556 120.200 -0.593 0.000 2.072 289 E HA -0.343 4.007 4.350 0.000 0.000 0.218 289 E C 2.177 178.455 176.600 -0.537 0.000 1.051 289 E CA 2.740 58.609 56.400 -0.886 0.000 0.880 289 E CB -0.074 29.424 29.700 -0.336 0.000 0.783 289 E HN 0.531 nan 8.360 nan 0.000 0.473 290 S N 0.177 115.701 115.700 -0.293 0.000 2.382 290 S HA -0.144 4.326 4.470 0.000 0.000 0.228 290 S C 2.150 176.635 174.600 -0.191 0.000 1.027 290 S CA 1.192 59.267 58.200 -0.208 0.000 0.991 290 S CB -0.518 62.609 63.200 -0.121 0.000 0.823 290 S HN 0.312 nan 8.310 nan 0.000 0.469 291 L N 0.639 121.746 121.223 -0.193 0.000 2.027 291 L HA 0.019 4.359 4.340 0.000 0.000 0.206 291 L C 2.656 179.424 176.870 -0.171 0.000 1.074 291 L CA 1.310 56.059 54.840 -0.152 0.000 0.745 291 L CB -0.524 41.453 42.059 -0.137 0.000 0.898 291 L HN 0.302 nan 8.230 nan 0.000 0.433 292 I N -0.214 120.203 120.570 -0.256 0.000 2.252 292 I HA -0.257 3.913 4.170 0.000 0.000 0.245 292 I C 2.216 178.229 176.117 -0.173 0.000 1.102 292 I CA 0.961 62.124 61.300 -0.228 0.000 1.385 292 I CB -0.364 37.446 38.000 -0.316 0.000 1.064 292 I HN 0.346 nan 8.210 nan 0.000 0.414 293 N N 0.594 119.140 118.700 -0.256 0.000 2.120 293 N HA -0.135 4.605 4.740 0.000 0.000 0.188 293 N C 1.988 177.489 175.510 -0.014 0.000 1.024 293 N CA 1.433 54.344 53.050 -0.230 0.000 0.852 293 N CB -0.291 37.879 38.487 -0.527 0.000 1.003 293 N HN 0.199 nan 8.380 nan 0.000 0.424 294 S N 0.675 116.341 115.700 -0.056 0.000 2.402 294 S HA 0.004 4.474 4.470 0.000 0.000 0.229 294 S C 2.034 176.623 174.600 -0.019 0.000 1.021 294 S CA 0.928 59.118 58.200 -0.017 0.000 0.974 294 S CB -0.121 63.049 63.200 -0.050 0.000 0.800 294 S HN 0.488 nan 8.310 nan 0.000 0.484 295 A N 0.871 123.675 122.820 -0.027 0.000 1.929 295 A HA 0.037 4.357 4.320 0.000 0.000 0.216 295 A C 2.275 179.870 177.584 0.017 0.000 1.176 295 A CA 1.023 53.050 52.037 -0.017 0.000 0.628 295 A CB -0.628 18.349 19.000 -0.037 0.000 0.816 295 A HN 0.337 nan 8.150 nan 0.000 0.444 296 V N -2.112 117.834 119.914 0.052 0.000 2.307 296 V HA 0.036 4.156 4.120 0.000 0.000 0.245 296 V C 0.815 176.982 176.094 0.123 0.000 1.045 296 V CA 1.797 64.139 62.300 0.069 0.000 1.024 296 V CB -0.488 31.398 31.823 0.106 0.000 0.651 296 V HN 0.551 nan 8.190 nan 0.000 0.449 297 F N 0.682 120.648 119.950 0.026 0.000 2.615 297 F HA 0.528 5.055 4.527 0.000 0.000 0.312 297 F C -2.437 173.392 175.800 0.048 0.000 1.119 297 F CA -1.961 56.020 58.000 -0.033 0.000 0.979 297 F CB 2.051 40.937 39.000 -0.190 0.000 1.266 297 F HN -0.145 nan 8.300 nan 0.000 0.444 298 P HA 0.117 nan 4.420 nan 0.000 0.249 298 P C 0.989 178.030 177.300 -0.432 0.000 1.241 298 P CA 0.882 63.208 63.100 -1.290 0.000 0.781 298 P CB 0.163 31.278 31.700 -0.975 0.000 1.088 299 G N 1.558 110.228 108.800 -0.217 0.000 2.666 299 G HA2 -0.202 3.758 3.960 0.000 0.000 0.215 299 G HA3 -0.202 3.758 3.960 0.000 0.000 0.215 299 G C 1.351 176.234 174.900 -0.027 0.000 1.294 299 G CA 0.731 45.779 45.100 -0.086 0.000 0.811 299 G HN 0.265 nan 8.290 nan 0.000 0.594 300 L N -0.427 120.807 121.223 0.019 0.000 2.408 300 L HA 0.297 4.637 4.340 0.000 0.000 0.215 300 L C 1.492 178.397 176.870 0.057 0.000 1.081 300 L CA 0.213 55.085 54.840 0.052 0.000 0.840 300 L CB 0.107 42.225 42.059 0.098 0.000 1.002 300 L HN 0.233 nan 8.230 nan 0.000 0.468 301 Q N -1.222 118.613 119.800 0.058 0.000 2.378 301 Q HA 0.502 4.842 4.340 0.000 0.000 0.276 301 Q C 0.061 176.200 176.000 0.232 0.000 1.083 301 Q CA -0.241 55.604 55.803 0.070 0.000 0.856 301 Q CB 2.107 30.694 28.738 -0.253 0.000 1.383 301 Q HN 0.103 nan 8.270 nan 0.000 0.458 302 G N -0.340 108.592 108.800 0.219 0.000 3.441 302 G HA2 0.463 4.423 3.960 0.000 0.000 0.195 302 G HA3 0.463 4.423 3.960 0.000 0.000 0.195 302 G C -0.231 174.602 174.900 -0.112 0.000 1.633 302 G CA -0.165 45.045 45.100 0.184 0.000 0.895 302 G HN 0.577 nan 8.290 nan 0.000 0.654 303 G N 1.425 110.098 108.800 -0.211 0.000 2.442 303 G HA2 0.509 4.469 3.960 0.000 0.000 0.249 303 G HA3 0.509 4.469 3.960 0.000 0.000 0.249 303 G C -2.228 172.560 174.900 -0.188 0.000 1.263 303 G CA -0.498 44.281 45.100 -0.535 0.000 0.846 303 G HN 0.390 nan 8.290 nan 0.000 0.555 304 P HA 0.143 nan 4.420 nan 0.000 0.278 304 P C -0.835 176.552 177.300 0.146 0.000 1.238 304 P CA -0.458 62.603 63.100 -0.064 0.000 0.794 304 P CB 0.991 32.558 31.700 -0.222 0.000 0.955 305 H N 2.367 121.470 119.070 0.055 0.000 3.118 305 H HA 0.148 4.704 4.556 0.000 0.000 0.266 305 H C 1.510 176.735 175.328 -0.172 0.000 1.465 305 H CA -0.105 55.916 56.048 -0.046 0.000 1.460 305 H CB -0.898 28.777 29.762 -0.146 0.000 1.661 305 H HN 0.356 nan 8.280 nan 0.000 0.516 306 N N 1.546 120.293 118.700 0.080 0.000 2.149 306 N HA -0.177 4.563 4.740 0.000 0.000 0.188 306 N C 1.830 177.351 175.510 0.019 0.000 1.019 306 N CA 1.163 54.237 53.050 0.039 0.000 0.857 306 N CB -0.018 38.511 38.487 0.070 0.000 0.997 306 N HN 0.735 nan 8.380 nan 0.000 0.426 307 H N -0.095 118.992 119.070 0.028 0.000 2.421 307 H HA 0.107 4.663 4.556 0.000 0.000 0.298 307 H C 1.760 177.108 175.328 0.035 0.000 1.087 307 H CA 1.271 57.330 56.048 0.019 0.000 1.330 307 H CB -0.499 29.262 29.762 -0.001 0.000 1.388 307 H HN 0.135 nan 8.280 nan 0.000 0.526 308 A N 1.608 124.092 122.820 -0.559 0.000 1.970 308 A HA 0.081 4.401 4.320 0.000 0.000 0.216 308 A C 2.661 180.181 177.584 -0.107 0.000 1.170 308 A CA 0.727 52.597 52.037 -0.278 0.000 0.645 308 A CB -0.584 18.259 19.000 -0.261 0.000 0.816 308 A HN 0.347 nan 8.150 nan 0.000 0.447 309 I N -0.360 120.155 120.570 -0.092 0.000 2.439 309 I HA -0.208 3.962 4.170 0.000 0.000 0.251 309 I C 2.873 178.976 176.117 -0.024 0.000 1.139 309 I CA 0.872 62.145 61.300 -0.045 0.000 1.438 309 I CB -0.232 37.744 38.000 -0.039 0.000 1.085 309 I HN 0.354 nan 8.210 nan 0.000 0.427 310 A N 0.916 123.728 122.820 -0.013 0.000 1.930 310 A HA -0.079 4.241 4.320 0.000 0.000 0.217 310 A C 2.422 180.008 177.584 0.002 0.000 1.175 310 A CA 1.740 53.779 52.037 0.004 0.000 0.627 310 A CB -1.257 17.759 19.000 0.025 0.000 0.815 310 A HN 0.436 nan 8.150 nan 0.000 0.443 311 G N -0.611 108.191 108.800 0.002 0.000 2.402 311 G HA2 -0.075 3.885 3.960 0.000 0.000 0.216 311 G HA3 -0.075 3.885 3.960 0.000 0.000 0.216 311 G C 1.489 176.390 174.900 0.001 0.000 1.162 311 G CA 1.157 46.262 45.100 0.008 0.000 0.777 311 G HN 0.294 nan 8.290 nan 0.000 0.539 312 V N 1.552 121.464 119.914 -0.003 0.000 2.343 312 V HA -0.133 3.987 4.120 0.000 0.000 0.247 312 V C 3.320 179.407 176.094 -0.011 0.000 1.051 312 V CA 1.975 64.275 62.300 0.001 0.000 1.036 312 V CB -0.794 31.030 31.823 0.002 0.000 0.654 312 V HN 0.475 nan 8.190 nan 0.000 0.451 313 A N -0.151 122.660 122.820 -0.014 0.000 1.883 313 A HA -0.185 4.135 4.320 0.000 0.000 0.217 313 A C 2.398 179.964 177.584 -0.031 0.000 1.186 313 A CA 2.221 54.246 52.037 -0.020 0.000 0.624 313 A CB -0.797 18.195 19.000 -0.014 0.000 0.822 313 A HN 0.329 nan 8.150 nan 0.000 0.444 314 V N -0.189 119.710 119.914 -0.026 0.000 2.332 314 V HA -0.261 3.859 4.120 0.000 0.000 0.248 314 V C 3.013 179.074 176.094 -0.056 0.000 1.055 314 V CA 2.007 64.287 62.300 -0.033 0.000 1.038 314 V CB -1.161 30.651 31.823 -0.018 0.000 0.651 314 V HN 0.632 nan 8.190 nan 0.000 0.450 315 A N -0.619 122.169 122.820 -0.054 0.000 1.969 315 A HA -0.069 4.251 4.320 0.000 0.000 0.218 315 A C 2.173 179.662 177.584 -0.159 0.000 1.169 315 A CA 1.355 53.339 52.037 -0.088 0.000 0.635 315 A CB -0.413 18.561 19.000 -0.044 0.000 0.810 315 A HN 0.513 nan 8.150 nan 0.000 0.445 316 L N -0.787 120.367 121.223 -0.116 0.000 2.217 316 L HA -0.129 4.211 4.340 0.000 0.000 0.211 316 L C 2.540 179.306 176.870 -0.174 0.000 1.107 316 L CA 1.644 56.398 54.840 -0.143 0.000 0.783 316 L CB -0.289 41.731 42.059 -0.064 0.000 0.919 316 L HN 0.484 nan 8.230 nan 0.000 0.442 317 K N 0.195 120.517 120.400 -0.130 0.000 2.062 317 K HA -0.183 4.137 4.320 0.000 0.000 0.205 317 K C 2.081 178.590 176.600 -0.152 0.000 1.051 317 K CA 1.231 57.449 56.287 -0.115 0.000 0.941 317 K CB 0.034 32.490 32.500 -0.074 0.000 0.719 317 K HN 0.289 nan 8.250 nan 0.000 0.440 318 Q N -0.264 119.429 119.800 -0.177 0.000 2.170 318 Q HA -0.085 4.255 4.340 0.000 0.000 0.203 318 Q C 1.983 177.745 176.000 -0.397 0.000 0.976 318 Q CA 1.240 56.924 55.803 -0.197 0.000 0.858 318 Q CB -0.063 28.580 28.738 -0.159 0.000 0.907 318 Q HN 0.436 nan 8.270 nan 0.000 0.433 319 A N 0.345 122.776 122.820 -0.648 0.000 2.121 319 A HA -0.081 4.239 4.320 0.000 0.000 0.218 319 A C 1.775 179.062 177.584 -0.496 0.000 1.154 319 A CA 0.913 52.230 52.037 -1.200 0.000 0.679 319 A CB -0.226 18.191 19.000 -0.971 0.000 0.795 319 A HN 0.288 nan 8.150 nan 0.000 0.458 320 M N 0.399 119.840 119.600 -0.264 0.000 2.495 320 M HA 0.034 4.514 4.480 0.000 0.000 0.237 320 M C 0.829 177.107 176.300 -0.037 0.000 1.131 320 M CA 0.434 55.660 55.300 -0.123 0.000 1.032 320 M CB -0.085 32.443 32.600 -0.121 0.000 1.513 320 M HN 0.468 nan 8.290 nan 0.000 0.488 321 T N -1.396 113.150 114.554 -0.014 0.000 2.899 321 T HA 0.199 4.549 4.350 0.000 0.000 0.295 321 T C -1.636 173.124 174.700 0.099 0.000 1.033 321 T CA -1.533 60.589 62.100 0.037 0.000 1.084 321 T CB 0.816 69.709 68.868 0.041 0.000 0.979 321 T HN 0.023 nan 8.240 nan 0.000 0.532 322 P HA -0.002 nan 4.420 nan 0.000 0.223 322 P C 0.888 178.250 177.300 0.103 0.000 1.151 322 P CA 0.784 63.930 63.100 0.077 0.000 0.787 322 P CB 0.200 31.927 31.700 0.046 0.000 0.788 323 E N -0.710 119.559 120.200 0.115 0.000 2.153 323 E HA -0.131 4.219 4.350 0.000 0.000 0.194 323 E C 1.700 178.421 176.600 0.201 0.000 0.988 323 E CA 0.939 57.415 56.400 0.127 0.000 0.811 323 E CB -1.039 28.724 29.700 0.105 0.000 0.746 323 E HN 0.241 nan 8.360 nan 0.000 0.466 324 F N 1.224 121.216 119.950 0.070 0.000 2.128 324 F HA -0.032 4.495 4.527 0.000 0.000 0.295 324 F C 2.102 177.983 175.800 0.134 0.000 1.100 324 F CA 1.342 59.418 58.000 0.126 0.000 1.260 324 F CB -0.001 39.039 39.000 0.066 0.000 1.009 324 F HN -0.162 nan 8.300 nan 0.000 0.476 325 K N 0.007 120.524 120.400 0.195 0.000 2.103 325 K HA -0.275 4.045 4.320 0.000 0.000 0.207 325 K C 2.104 178.691 176.600 -0.021 0.000 1.048 325 K CA 1.815 58.135 56.287 0.055 0.000 0.930 325 K CB -0.191 32.350 32.500 0.069 0.000 0.716 325 K HN 0.217 nan 8.250 nan 0.000 0.444 326 E N -0.017 120.198 120.200 0.026 0.000 2.047 326 E HA -0.216 4.134 4.350 0.000 0.000 0.191 326 E C 1.799 178.390 176.600 -0.016 0.000 0.987 326 E CA 1.340 57.747 56.400 0.011 0.000 0.799 326 E CB -0.556 29.172 29.700 0.048 0.000 0.752 326 E HN 0.409 nan 8.360 nan 0.000 0.449 327 Y N 0.996 121.224 120.300 -0.121 0.000 2.151 327 Y HA -0.280 4.270 4.550 0.000 0.000 0.284 327 Y C 2.178 177.945 175.900 -0.222 0.000 1.166 327 Y CA 2.407 60.409 58.100 -0.163 0.000 1.163 327 Y CB -0.614 37.711 38.460 -0.224 0.000 0.974 327 Y HN 0.119 nan 8.280 nan 0.000 0.511 328 Q N 0.366 119.817 119.800 -0.581 0.000 2.079 328 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 328 Q C 2.357 178.135 176.000 -0.370 0.000 0.974 328 Q CA 1.753 57.179 55.803 -0.628 0.000 0.840 328 Q CB -0.196 28.258 28.738 -0.473 0.000 0.898 328 Q HN 0.470 nan 8.270 nan 0.000 0.430 329 R N -0.417 119.946 120.500 -0.227 0.000 2.120 329 R HA -0.187 4.153 4.340 0.000 0.000 0.234 329 R C 2.168 178.375 176.300 -0.155 0.000 1.123 329 R CA 1.434 57.446 56.100 -0.147 0.000 0.975 329 R CB -0.159 30.090 30.300 -0.085 0.000 0.866 329 R HN 0.260 nan 8.270 nan 0.000 0.446 330 Q N 0.920 120.615 119.800 -0.175 0.000 2.079 330 Q HA -0.094 4.246 4.340 0.000 0.000 0.200 330 Q C 2.025 177.906 176.000 -0.197 0.000 0.974 330 Q CA 1.430 57.152 55.803 -0.134 0.000 0.840 330 Q CB -0.180 28.517 28.738 -0.068 0.000 0.898 330 Q HN 0.090 nan 8.270 nan 0.000 0.430 331 V N -0.521 119.189 119.914 -0.340 0.000 2.252 331 V HA -0.281 3.839 4.120 0.000 0.000 0.249 331 V C 2.261 178.211 176.094 -0.239 0.000 1.056 331 V CA 1.832 63.932 62.300 -0.332 0.000 1.022 331 V CB -0.681 30.848 31.823 -0.490 0.000 0.641 331 V HN 0.274 nan 8.190 nan 0.000 0.445 332 V N 0.012 119.805 119.914 -0.202 0.000 2.343 332 V HA -0.249 3.871 4.120 0.000 0.000 0.247 332 V C 2.657 178.660 176.094 -0.150 0.000 1.051 332 V CA 1.984 64.198 62.300 -0.143 0.000 1.036 332 V CB -1.048 30.710 31.823 -0.108 0.000 0.654 332 V HN 0.576 nan 8.190 nan 0.000 0.451 333 A N 0.295 123.029 122.820 -0.143 0.000 1.902 333 A HA -0.221 4.099 4.320 0.000 0.000 0.217 333 A C 2.064 179.547 177.584 -0.169 0.000 1.181 333 A CA 1.940 53.905 52.037 -0.120 0.000 0.623 333 A CB -0.625 18.327 19.000 -0.080 0.000 0.818 333 A HN 0.597 nan 8.150 nan 0.000 0.443 334 N N -0.304 118.238 118.700 -0.264 0.000 2.166 334 N HA -0.156 4.584 4.740 0.000 0.000 0.186 334 N C 1.817 176.973 175.510 -0.589 0.000 1.019 334 N CA 1.433 54.178 53.050 -0.508 0.000 0.856 334 N CB -0.988 36.960 38.487 -0.898 0.000 0.993 334 N HN 0.589 nan 8.380 nan 0.000 0.426 335 C N 1.722 120.759 119.300 -0.439 0.000 2.413 335 C HA -0.024 4.436 4.460 0.000 0.000 0.276 335 C C 2.736 177.602 174.990 -0.205 0.000 1.236 335 C CA 0.698 59.528 59.018 -0.314 0.000 1.735 335 C CB -0.854 26.760 27.740 -0.210 0.000 2.031 335 C HN 0.406 nan 8.230 nan 0.000 0.474 336 R N 0.443 120.847 120.500 -0.160 0.000 2.083 336 R HA -0.143 4.197 4.340 0.000 0.000 0.237 336 R C 2.470 178.721 176.300 -0.082 0.000 1.137 336 R CA 1.836 57.875 56.100 -0.102 0.000 0.951 336 R CB -0.594 29.659 30.300 -0.080 0.000 0.851 336 R HN 0.646 nan 8.270 nan 0.000 0.434 337 A N 1.136 123.902 122.820 -0.089 0.000 1.877 337 A HA -0.174 4.146 4.320 0.000 0.000 0.216 337 A C 2.085 179.661 177.584 -0.013 0.000 1.186 337 A CA 1.200 53.216 52.037 -0.034 0.000 0.620 337 A CB -0.580 18.417 19.000 -0.005 0.000 0.822 337 A HN 0.265 nan 8.150 nan 0.000 0.443 338 L N -0.052 121.138 121.223 -0.055 0.000 2.042 338 L HA -0.128 4.212 4.340 0.000 0.000 0.210 338 L C 2.587 179.446 176.870 -0.019 0.000 1.076 338 L CA 2.728 57.573 54.840 0.008 0.000 0.749 338 L CB -0.842 41.196 42.059 -0.036 0.000 0.893 338 L HN 0.362 nan 8.230 nan 0.000 0.432 339 S N -0.918 114.749 115.700 -0.056 0.000 2.355 339 S HA -0.134 4.336 4.470 0.000 0.000 0.222 339 S C 2.153 176.738 174.600 -0.025 0.000 1.031 339 S CA 1.173 59.344 58.200 -0.049 0.000 0.993 339 S CB -0.488 62.672 63.200 -0.066 0.000 0.859 339 S HN 0.660 nan 8.310 nan 0.000 0.453 340 A N 1.336 124.144 122.820 -0.021 0.000 1.902 340 A HA 0.189 4.509 4.320 0.000 0.000 0.217 340 A C 2.452 180.040 177.584 0.006 0.000 1.181 340 A CA 1.869 53.902 52.037 -0.006 0.000 0.623 340 A CB -1.349 17.648 19.000 -0.006 0.000 0.818 340 A HN 0.777 nan 8.150 nan 0.000 0.443 341 A N -0.604 122.225 122.820 0.016 0.000 1.969 341 A HA 0.029 4.349 4.320 0.000 0.000 0.218 341 A C 2.130 179.712 177.584 -0.003 0.000 1.169 341 A CA 1.390 53.445 52.037 0.030 0.000 0.635 341 A CB -0.462 18.579 19.000 0.068 0.000 0.810 341 A HN 0.469 nan 8.150 nan 0.000 0.445 342 L N -0.959 120.256 121.223 -0.013 0.000 2.179 342 L HA -0.075 4.265 4.340 0.000 0.000 0.208 342 L C 2.443 179.374 176.870 0.101 0.000 1.096 342 L CA 0.453 55.288 54.840 -0.008 0.000 0.779 342 L CB -0.242 41.753 42.059 -0.108 0.000 0.922 342 L HN 0.234 nan 8.230 nan 0.000 0.443 343 V N 0.059 120.001 119.914 0.048 0.000 2.307 343 V HA -0.303 3.817 4.120 0.000 0.000 0.245 343 V C 2.457 178.560 176.094 0.015 0.000 1.045 343 V CA 2.013 64.338 62.300 0.040 0.000 1.024 343 V CB -0.332 31.499 31.823 0.014 0.000 0.651 343 V HN 0.509 nan 8.190 nan 0.000 0.449 344 E N -0.160 120.041 120.200 0.002 0.000 2.160 344 E HA -0.211 4.139 4.350 0.000 0.000 0.195 344 E C 1.984 178.553 176.600 -0.052 0.000 0.991 344 E CA 1.089 57.479 56.400 -0.016 0.000 0.810 344 E CB -0.095 29.603 29.700 -0.002 0.000 0.742 344 E HN 0.558 nan 8.360 nan 0.000 0.466 345 L N -0.469 120.712 121.223 -0.070 0.000 2.610 345 L HA 0.088 4.428 4.340 0.000 0.000 0.232 345 L C 1.274 178.020 176.870 -0.207 0.000 1.149 345 L CA 0.562 55.286 54.840 -0.192 0.000 0.872 345 L CB 0.169 42.044 42.059 -0.306 0.000 0.992 345 L HN 0.464 nan 8.230 nan 0.000 0.447 346 G N -1.705 107.022 108.800 -0.122 0.000 2.141 346 G HA2 -0.294 3.666 3.960 0.000 0.000 0.231 346 G HA3 -0.294 3.666 3.960 0.000 0.000 0.231 346 G C -0.073 174.671 174.900 -0.260 0.000 0.984 346 G CA -0.523 44.463 45.100 -0.190 0.000 0.660 346 G HN 0.216 nan 8.290 nan 0.000 0.525 347 Y N 0.015 120.267 120.300 -0.079 0.000 2.307 347 Y HA 0.607 5.158 4.550 0.000 0.000 0.324 347 Y C 0.708 176.585 175.900 -0.040 0.000 1.238 347 Y CA -0.426 57.644 58.100 -0.050 0.000 1.280 347 Y CB 1.137 39.568 38.460 -0.048 0.000 1.248 347 Y HN 0.069 nan 8.280 nan 0.000 0.508 348 K N 3.150 123.621 120.400 0.118 0.000 2.263 348 K HA 0.396 4.716 4.320 0.000 0.000 0.272 348 K C -1.610 175.023 176.600 0.055 0.000 1.033 348 K CA -0.218 56.103 56.287 0.056 0.000 0.884 348 K CB 0.153 32.668 32.500 0.024 0.000 1.107 348 K HN 0.441 nan 8.250 nan 0.000 0.460 349 I N 5.397 125.982 120.570 0.025 0.000 2.353 349 I HA 0.214 4.384 4.170 0.000 0.000 0.293 349 I C 0.045 176.146 176.117 -0.027 0.000 0.992 349 I CA -1.072 60.224 61.300 -0.007 0.000 1.268 349 I CB 1.242 39.226 38.000 -0.026 0.000 1.387 349 I HN 0.355 nan 8.210 nan 0.000 0.478 350 V N 6.025 125.913 119.914 -0.044 0.000 2.694 350 V HA 0.026 4.146 4.120 0.000 0.000 0.306 350 V C 1.347 177.378 176.094 -0.106 0.000 1.054 350 V CA 1.020 63.285 62.300 -0.059 0.000 1.161 350 V CB 0.200 31.984 31.823 -0.065 0.000 0.916 350 V HN 1.114 nan 8.190 nan 0.000 0.490 351 T N 1.294 115.799 114.554 -0.080 0.000 4.543 351 T HA -0.237 4.113 4.350 0.000 0.000 0.313 351 T C 1.451 176.140 174.700 -0.020 0.000 1.051 351 T CA 1.404 63.450 62.100 -0.089 0.000 2.160 351 T CB -1.999 66.595 68.868 -0.456 0.000 1.904 351 T HN 2.659 nan 8.240 nan 0.000 0.924 352 G N -0.607 108.186 108.800 -0.012 0.000 2.412 352 G HA2 0.167 4.128 3.960 0.000 0.000 0.252 352 G HA3 0.167 4.128 3.960 0.000 0.000 0.252 352 G C 1.295 176.180 174.900 -0.026 0.000 1.038 352 G CA 0.905 46.004 45.100 -0.002 0.000 0.628 352 G HN 2.403 nan 8.290 nan 0.000 0.531 353 G N -1.824 106.941 108.800 -0.059 0.000 2.510 353 G HA2 0.714 4.674 3.960 0.000 0.000 0.277 353 G HA3 0.714 4.674 3.960 0.000 0.000 0.277 353 G C -0.834 173.992 174.900 -0.124 0.000 1.223 353 G CA 0.799 45.854 45.100 -0.074 0.000 0.887 353 G HN 1.538 nan 8.290 nan 0.000 0.485 354 S N -1.480 114.153 115.700 -0.113 0.000 2.588 354 S HA 0.607 5.077 4.470 0.000 0.000 0.275 354 S C -0.970 173.569 174.600 -0.103 0.000 1.130 354 S CA -0.344 57.772 58.200 -0.141 0.000 0.855 354 S CB 2.055 65.170 63.200 -0.141 0.000 1.116 354 S HN 0.405 nan 8.310 nan 0.000 0.472 355 D N 1.052 121.391 120.400 -0.102 0.000 2.479 355 D HA 0.168 4.808 4.640 0.000 0.000 0.221 355 D C 0.371 176.656 176.300 -0.026 0.000 1.104 355 D CA 0.435 54.403 54.000 -0.054 0.000 0.849 355 D CB 0.252 41.028 40.800 -0.040 0.000 1.072 355 D HN 0.648 nan 8.370 nan 0.000 0.502 356 N N -0.125 118.563 118.700 -0.019 0.000 3.245 356 N HA -0.020 4.720 4.740 0.000 0.000 0.333 356 N C 1.019 176.565 175.510 0.061 0.000 1.403 356 N CA -0.221 52.870 53.050 0.069 0.000 0.648 356 N CB -0.541 38.077 38.487 0.217 0.000 1.572 356 N HN -0.133 nan 8.380 nan 0.000 0.516 357 H N -0.914 118.122 119.070 -0.057 0.000 2.539 357 H HA 0.363 4.919 4.556 0.000 0.000 0.269 357 H C -0.100 175.197 175.328 -0.052 0.000 0.980 357 H CA -0.320 55.685 56.048 -0.072 0.000 1.152 357 H CB -0.564 29.171 29.762 -0.045 0.000 1.407 357 H HN 0.507 nan 8.280 nan 0.000 0.564 358 L N -0.411 120.532 121.223 -0.466 0.000 2.341 358 L HA 0.715 5.055 4.340 0.000 0.000 0.254 358 L C -0.865 175.864 176.870 -0.236 0.000 1.040 358 L CA -1.657 52.959 54.840 -0.373 0.000 0.837 358 L CB 2.370 44.131 42.059 -0.497 0.000 1.425 358 L HN 0.070 nan 8.230 nan 0.000 0.414 359 I N -0.861 119.604 120.570 -0.174 0.000 2.827 359 I HA 0.666 4.836 4.170 0.000 0.000 0.298 359 I C -1.695 174.357 176.117 -0.109 0.000 1.235 359 I CA -1.047 60.169 61.300 -0.141 0.000 1.021 359 I CB 2.296 40.226 38.000 -0.116 0.000 1.259 359 I HN 0.715 nan 8.210 nan 0.000 0.427 360 L N 6.216 127.379 121.223 -0.099 0.000 2.276 360 L HA 0.550 4.890 4.340 0.000 0.000 0.286 360 L C -0.833 176.009 176.870 -0.047 0.000 1.024 360 L CA -0.331 54.468 54.840 -0.070 0.000 0.826 360 L CB 1.362 43.380 42.059 -0.067 0.000 1.211 360 L HN 0.526 nan 8.230 nan 0.000 0.422 361 V N 4.612 124.507 119.914 -0.033 0.000 2.408 361 V HA 0.185 4.305 4.120 0.000 0.000 0.267 361 V C 0.056 176.168 176.094 0.031 0.000 1.047 361 V CA -0.547 61.754 62.300 0.000 0.000 0.937 361 V CB 0.963 32.771 31.823 -0.024 0.000 0.999 361 V HN 0.683 nan 8.190 nan 0.000 0.472 362 D N 4.838 125.264 120.400 0.044 0.000 2.359 362 D HA 0.123 4.764 4.640 0.000 0.000 0.250 362 D C 0.927 177.272 176.300 0.075 0.000 1.264 362 D CA 0.046 54.069 54.000 0.040 0.000 0.911 362 D CB 0.891 41.705 40.800 0.023 0.000 1.056 362 D HN 0.487 nan 8.370 nan 0.000 0.499 363 L N 3.481 124.748 121.223 0.073 0.000 2.622 363 L HA 0.034 4.374 4.340 0.000 0.000 0.233 363 L C 2.261 179.157 176.870 0.044 0.000 1.156 363 L CA 0.136 55.035 54.840 0.098 0.000 0.866 363 L CB -0.054 42.058 42.059 0.088 0.000 0.980 363 L HN 0.282 nan 8.230 nan 0.000 0.448 364 R N 0.187 120.699 120.500 0.020 0.000 2.096 364 R HA -0.125 4.215 4.340 0.000 0.000 0.235 364 R C 2.426 178.719 176.300 -0.013 0.000 1.127 364 R CA 1.543 57.643 56.100 0.000 0.000 0.968 364 R CB -0.237 30.061 30.300 -0.003 0.000 0.861 364 R HN 0.414 nan 8.270 nan 0.000 0.440 365 S N 0.355 116.044 115.700 -0.018 0.000 2.571 365 S HA -0.044 4.426 4.470 0.000 0.000 0.245 365 S C 1.166 175.707 174.600 -0.098 0.000 0.976 365 S CA 0.930 59.096 58.200 -0.055 0.000 0.954 365 S CB 0.121 63.283 63.200 -0.065 0.000 0.756 365 S HN 0.107 nan 8.310 nan 0.000 0.535 366 K N -0.073 120.284 120.400 -0.071 0.000 2.483 366 K HA 0.304 4.625 4.320 0.000 0.000 0.206 366 K C 1.008 177.593 176.600 -0.024 0.000 1.086 366 K CA 0.457 56.698 56.287 -0.077 0.000 1.052 366 K CB 0.541 32.992 32.500 -0.082 0.000 0.904 366 K HN 0.448 nan 8.250 nan 0.000 0.557 367 G N 1.942 110.732 108.800 -0.017 0.000 2.147 367 G HA2 -0.260 3.700 3.960 0.000 0.000 0.244 367 G HA3 -0.260 3.700 3.960 0.000 0.000 0.244 367 G C 0.214 175.112 174.900 -0.002 0.000 1.005 367 G CA 1.188 46.283 45.100 -0.008 0.000 0.713 367 G HN 0.369 nan 8.290 nan 0.000 0.515 368 T N -0.511 114.044 114.554 0.001 0.000 2.716 368 T HA 0.638 4.988 4.350 0.000 0.000 0.286 368 T C -1.546 173.141 174.700 -0.022 0.000 1.052 368 T CA 0.270 62.364 62.100 -0.011 0.000 1.024 368 T CB 1.757 70.631 68.868 0.010 0.000 1.349 368 T HN 0.468 nan 8.240 nan 0.000 0.525 369 D N -0.579 119.788 120.400 -0.055 0.000 2.547 369 D HA 0.339 4.979 4.640 0.000 0.000 0.231 369 D C 1.072 177.332 176.300 -0.065 0.000 1.099 369 D CA -0.575 53.391 54.000 -0.057 0.000 0.901 369 D CB 1.411 42.164 40.800 -0.079 0.000 1.478 369 D HN 0.727 nan 8.370 nan 0.000 0.471 370 G N 0.143 108.915 108.800 -0.046 0.000 2.470 370 G HA2 -0.147 3.813 3.960 0.000 0.000 0.220 370 G HA3 -0.147 3.813 3.960 0.000 0.000 0.220 370 G C 1.298 176.158 174.900 -0.067 0.000 1.121 370 G CA 0.953 46.029 45.100 -0.041 0.000 0.766 370 G HN 0.605 nan 8.290 nan 0.000 0.553 371 G N 0.739 109.480 108.800 -0.100 0.000 2.421 371 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 371 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 371 G C 1.956 176.741 174.900 -0.192 0.000 1.171 371 G CA 0.732 45.757 45.100 -0.124 0.000 0.775 371 G HN 0.472 nan 8.290 nan 0.000 0.543 372 R N 0.348 120.647 120.500 -0.335 0.000 2.127 372 R HA 0.267 4.608 4.340 0.000 0.000 0.217 372 R C 2.924 179.128 176.300 -0.161 0.000 1.074 372 R CA 0.785 56.530 56.100 -0.592 0.000 0.991 372 R CB -0.216 29.368 30.300 -1.193 0.000 0.895 372 R HN 0.322 nan 8.270 nan 0.000 0.450 373 A N 2.097 124.867 122.820 -0.083 0.000 1.969 373 A HA -0.210 4.110 4.320 0.000 0.000 0.218 373 A C 2.009 179.613 177.584 0.034 0.000 1.169 373 A CA 1.609 53.654 52.037 0.015 0.000 0.635 373 A CB -0.367 18.643 19.000 0.017 0.000 0.810 373 A HN 0.534 nan 8.150 nan 0.000 0.445 374 E N -0.566 119.641 120.200 0.011 0.000 2.208 374 E HA -0.160 4.190 4.350 0.000 0.000 0.193 374 E C 1.499 178.128 176.600 0.048 0.000 0.988 374 E CA 0.958 57.372 56.400 0.024 0.000 0.828 374 E CB -0.121 29.583 29.700 0.007 0.000 0.763 374 E HN 0.299 nan 8.360 nan 0.000 0.478 375 K N 0.940 121.385 120.400 0.076 0.000 2.103 375 K HA 0.003 4.323 4.320 0.000 0.000 0.204 375 K C 2.256 178.925 176.600 0.116 0.000 1.052 375 K CA 0.883 57.238 56.287 0.113 0.000 0.945 375 K CB -0.245 32.374 32.500 0.198 0.000 0.722 375 K HN 0.123 nan 8.250 nan 0.000 0.443 376 V N 1.880 121.880 119.914 0.144 0.000 2.323 376 V HA -0.167 3.953 4.120 0.000 0.000 0.244 376 V C 2.433 178.568 176.094 0.068 0.000 1.041 376 V CA 1.275 63.640 62.300 0.108 0.000 1.025 376 V CB -0.511 31.394 31.823 0.137 0.000 0.656 376 V HN 0.131 nan 8.190 nan 0.000 0.451 377 L N -0.022 121.240 121.223 0.065 0.000 2.131 377 L HA -0.192 4.148 4.340 0.000 0.000 0.210 377 L C 2.597 179.489 176.870 0.036 0.000 1.092 377 L CA 1.808 56.677 54.840 0.048 0.000 0.759 377 L CB -0.555 41.533 42.059 0.047 0.000 0.903 377 L HN 0.431 nan 8.230 nan 0.000 0.435 378 E N 0.550 120.774 120.200 0.039 0.000 2.077 378 E HA -0.241 4.109 4.350 0.000 0.000 0.193 378 E C 2.234 178.847 176.600 0.022 0.000 0.989 378 E CA 1.155 57.573 56.400 0.030 0.000 0.800 378 E CB 0.013 29.733 29.700 0.033 0.000 0.746 378 E HN 0.465 nan 8.360 nan 0.000 0.452 379 A N 0.200 123.035 122.820 0.026 0.000 2.019 379 A HA -0.154 4.166 4.320 0.000 0.000 0.219 379 A C 2.121 179.709 177.584 0.007 0.000 1.164 379 A CA 1.200 53.247 52.037 0.016 0.000 0.644 379 A CB -0.450 18.561 19.000 0.018 0.000 0.805 379 A HN 0.472 nan 8.150 nan 0.000 0.449 380 C N -0.319 118.985 119.300 0.007 0.000 2.625 380 C HA 0.390 4.850 4.460 0.000 0.000 0.285 380 C C 1.389 176.361 174.990 -0.030 0.000 1.279 380 C CA 0.323 59.334 59.018 -0.011 0.000 1.698 380 C CB -1.599 26.139 27.740 -0.004 0.000 1.821 380 C HN 0.621 nan 8.230 nan 0.000 0.600 381 S N 0.216 115.908 115.700 -0.013 0.000 3.490 381 S HA -0.180 4.290 4.470 0.000 0.000 0.301 381 S C -0.041 174.554 174.600 -0.008 0.000 1.233 381 S CA 0.612 58.804 58.200 -0.013 0.000 0.914 381 S CB -1.496 61.688 63.200 -0.026 0.000 1.047 381 S HN 0.761 nan 8.310 nan 0.000 0.602 382 I N 1.588 122.159 120.570 0.002 0.000 2.328 382 I HA 0.552 4.722 4.170 0.000 0.000 0.287 382 I C 0.395 176.531 176.117 0.032 0.000 1.012 382 I CA -0.355 60.957 61.300 0.021 0.000 1.195 382 I CB 1.350 39.368 38.000 0.030 0.000 1.350 382 I HN 0.314 nan 8.210 nan 0.000 0.464 383 A N 6.425 129.268 122.820 0.038 0.000 2.309 383 A HA 0.807 5.127 4.320 0.000 0.000 0.298 383 A C -0.143 177.466 177.584 0.042 0.000 1.165 383 A CA -0.305 51.754 52.037 0.037 0.000 0.821 383 A CB 0.771 19.791 19.000 0.035 0.000 1.102 383 A HN 1.004 nan 8.150 nan 0.000 0.500 384 C N 0.925 120.246 119.300 0.034 0.000 3.233 384 C HA 0.792 5.252 4.460 0.000 0.000 0.358 384 C C -1.451 173.552 174.990 0.023 0.000 1.461 384 C CA -0.631 58.407 59.018 0.032 0.000 1.180 384 C CB 1.135 28.892 27.740 0.030 0.000 1.604 384 C HN 1.156 nan 8.230 nan 0.000 0.437 385 N N 0.155 118.864 118.700 0.016 0.000 2.416 385 N HA 0.438 5.178 4.740 0.000 0.000 0.276 385 N C -1.522 173.984 175.510 -0.006 0.000 1.261 385 N CA -0.584 52.470 53.050 0.006 0.000 0.790 385 N CB 1.947 40.440 38.487 0.009 0.000 1.554 385 N HN 1.059 nan 8.380 nan 0.000 0.481 386 K N 0.244 120.635 120.400 -0.015 0.000 2.219 386 K HA 0.345 4.665 4.320 0.000 0.000 0.258 386 K C -0.877 175.704 176.600 -0.032 0.000 1.008 386 K CA -0.415 55.857 56.287 -0.025 0.000 0.928 386 K CB 0.639 33.119 32.500 -0.034 0.000 0.983 386 K HN 0.720 nan 8.250 nan 0.000 0.484 387 N N -0.053 118.625 118.700 -0.035 0.000 2.555 387 N HA 0.090 4.830 4.740 0.000 0.000 0.265 387 N C -1.767 173.719 175.510 -0.039 0.000 1.135 387 N CA -0.619 52.406 53.050 -0.043 0.000 0.925 387 N CB 1.843 40.304 38.487 -0.043 0.000 1.662 387 N HN 0.814 nan 8.380 nan 0.000 0.489 388 T N -0.144 114.383 114.554 -0.044 0.000 2.918 388 T HA 0.386 4.736 4.350 0.000 0.000 0.302 388 T C 0.251 174.933 174.700 -0.029 0.000 1.045 388 T CA -0.363 61.716 62.100 -0.036 0.000 1.114 388 T CB 0.064 68.909 68.868 -0.038 0.000 0.965 388 T HN 0.420 nan 8.240 nan 0.000 0.540 389 C N 4.563 123.850 119.300 -0.021 0.000 2.398 389 C HA 0.397 4.857 4.460 0.000 0.000 0.364 389 C C -0.580 174.404 174.990 -0.010 0.000 1.219 389 C CA -1.204 57.805 59.018 -0.014 0.000 2.312 389 C CB 0.871 28.606 27.740 -0.009 0.000 2.428 389 C HN 0.719 nan 8.230 nan 0.000 0.564 390 P HA -0.141 nan 4.420 nan 0.000 0.218 390 P C 1.456 178.756 177.300 0.001 0.000 1.152 390 P CA 2.143 65.244 63.100 0.002 0.000 0.857 390 P CB 0.072 31.782 31.700 0.018 0.000 0.787 391 G N -0.572 108.229 108.800 0.002 0.000 2.637 391 G HA2 -0.168 3.792 3.960 0.000 0.000 0.215 391 G HA3 -0.168 3.792 3.960 0.000 0.000 0.215 391 G C -0.199 174.699 174.900 -0.004 0.000 1.289 391 G CA 0.361 45.461 45.100 0.001 0.000 0.816 391 G HN 0.146 nan 8.290 nan 0.000 0.580 392 D N -0.117 120.279 120.400 -0.007 0.000 7.686 392 D HA -0.089 4.551 4.640 0.000 0.000 0.091 392 D C 0.781 177.076 176.300 -0.009 0.000 1.019 392 D CA 0.703 54.697 54.000 -0.010 0.000 0.815 392 D CB 0.294 41.085 40.800 -0.015 0.000 1.611 392 D HN 0.159 nan 8.370 nan 0.000 0.915 393 K N 0.490 120.885 120.400 -0.008 0.000 2.437 393 K HA 0.235 4.555 4.320 0.000 0.000 0.198 393 K C -0.032 176.564 176.600 -0.007 0.000 1.024 393 K CA -0.101 56.182 56.287 -0.006 0.000 1.148 393 K CB 0.788 33.284 32.500 -0.006 0.000 0.860 393 K HN 0.243 nan 8.250 nan 0.000 0.515 394 S N -1.188 114.507 115.700 -0.009 0.000 2.543 394 S HA 0.619 5.089 4.470 0.000 0.000 0.271 394 S C -0.218 174.374 174.600 -0.012 0.000 1.148 394 S CA -0.463 57.731 58.200 -0.009 0.000 0.914 394 S CB 1.378 64.570 63.200 -0.012 0.000 1.096 394 S HN 0.054 nan 8.310 nan 0.000 0.471 395 A N 4.077 126.893 122.820 -0.007 0.000 2.195 395 A HA 0.286 4.606 4.320 0.000 0.000 0.210 395 A C 1.276 178.851 177.584 -0.016 0.000 1.165 395 A CA 0.293 52.324 52.037 -0.011 0.000 0.806 395 A CB -0.196 18.807 19.000 0.005 0.000 0.847 395 A HN 0.699 nan 8.150 nan 0.000 0.482 396 L N -1.030 120.185 121.223 -0.014 0.000 2.558 396 L HA 0.236 4.576 4.340 0.000 0.000 0.225 396 L C 1.324 178.175 176.870 -0.033 0.000 1.128 396 L CA 0.933 55.762 54.840 -0.019 0.000 0.868 396 L CB -0.685 41.366 42.059 -0.012 0.000 1.006 396 L HN 0.490 nan 8.230 nan 0.000 0.454 397 R N 1.449 121.928 120.500 -0.035 0.000 2.638 397 R HA 0.225 4.565 4.340 0.000 0.000 0.261 397 R C -2.531 173.743 176.300 -0.044 0.000 1.515 397 R CA -1.223 54.848 56.100 -0.048 0.000 1.623 397 R CB 0.948 31.222 30.300 -0.044 0.000 1.347 397 R HN -0.103 nan 8.270 nan 0.000 0.705 398 P HA 0.013 nan 4.420 nan 0.000 0.262 398 P C -0.016 177.261 177.300 -0.037 0.000 1.182 398 P CA 0.359 63.435 63.100 -0.039 0.000 0.761 398 P CB 1.639 33.314 31.700 -0.042 0.000 0.795 399 S N 1.573 117.256 115.700 -0.027 0.000 2.446 399 S HA 0.090 4.560 4.470 0.000 0.000 0.225 399 S C 1.256 175.851 174.600 -0.009 0.000 1.016 399 S CA 0.815 59.004 58.200 -0.018 0.000 0.943 399 S CB -0.085 63.108 63.200 -0.011 0.000 0.786 399 S HN 0.749 nan 8.310 nan 0.000 0.508 400 G N 0.233 109.025 108.800 -0.014 0.000 2.552 400 G HA2 0.687 4.647 3.960 0.000 0.000 0.324 400 G HA3 0.687 4.647 3.960 0.000 0.000 0.324 400 G C -1.304 173.587 174.900 -0.014 0.000 1.217 400 G CA -0.638 44.456 45.100 -0.008 0.000 0.989 400 G HN 0.254 nan 8.290 nan 0.000 0.490 401 L N 0.440 121.655 121.223 -0.013 0.000 2.356 401 L HA 0.489 4.829 4.340 0.000 0.000 0.277 401 L C 0.217 177.071 176.870 -0.027 0.000 0.996 401 L CA -0.784 54.046 54.840 -0.017 0.000 0.822 401 L CB 2.126 44.176 42.059 -0.016 0.000 1.256 401 L HN 0.477 nan 8.230 nan 0.000 0.413 402 R N 4.418 124.902 120.500 -0.026 0.000 2.297 402 R HA 0.691 5.031 4.340 0.000 0.000 0.308 402 R C -1.532 174.755 176.300 -0.022 0.000 1.029 402 R CA -0.418 55.661 56.100 -0.036 0.000 0.929 402 R CB 0.791 31.071 30.300 -0.034 0.000 1.046 402 R HN 0.565 nan 8.270 nan 0.000 0.461 403 L N 3.419 124.620 121.223 -0.036 0.000 2.410 403 L HA 0.596 4.936 4.340 0.000 0.000 0.270 403 L C 0.127 176.980 176.870 -0.028 0.000 0.983 403 L CA -0.958 53.876 54.840 -0.010 0.000 0.822 403 L CB 2.307 44.362 42.059 -0.006 0.000 1.285 403 L HN 0.805 nan 8.230 nan 0.000 0.409 404 G N -0.480 108.333 108.800 0.023 0.000 2.533 404 G HA2 0.527 4.487 3.960 0.000 0.000 0.304 404 G HA3 0.527 4.487 3.960 0.000 0.000 0.304 404 G C 0.320 175.283 174.900 0.104 0.000 1.263 404 G CA 0.005 45.117 45.100 0.019 0.000 0.964 404 G HN 0.606 nan 8.290 nan 0.000 0.479 405 T N -2.267 112.338 114.554 0.084 0.000 2.985 405 T HA 0.252 4.602 4.350 0.000 0.000 0.254 405 T C -0.815 174.005 174.700 0.200 0.000 1.021 405 T CA 0.041 62.219 62.100 0.131 0.000 0.957 405 T CB 0.290 69.016 68.868 -0.237 0.000 1.047 405 T HN 0.237 nan 8.240 nan 0.000 0.511 406 P HA -0.140 nan 4.420 nan 0.000 0.216 406 P C 1.903 179.398 177.300 0.324 0.000 1.167 406 P CA 2.079 65.307 63.100 0.214 0.000 0.914 406 P CB -0.355 31.455 31.700 0.184 0.000 0.793 407 A N -0.696 122.282 122.820 0.263 0.000 1.851 407 A HA -0.208 4.112 4.320 0.000 0.000 0.216 407 A C 2.319 180.156 177.584 0.422 0.000 1.195 407 A CA 1.831 54.062 52.037 0.323 0.000 0.622 407 A CB -1.732 17.368 19.000 0.166 0.000 0.831 407 A HN 0.106 nan 8.150 nan 0.000 0.444 408 L N -0.665 120.740 121.223 0.304 0.000 2.131 408 L HA -0.165 4.175 4.340 0.000 0.000 0.210 408 L C 2.704 179.660 176.870 0.143 0.000 1.092 408 L CA 1.728 56.651 54.840 0.139 0.000 0.759 408 L CB -0.769 41.297 42.059 0.012 0.000 0.903 408 L HN 0.399 nan 8.230 nan 0.000 0.435 409 T N -1.384 113.366 114.554 0.327 0.000 2.867 409 T HA -0.129 4.221 4.350 0.000 0.000 0.268 409 T C 2.063 176.974 174.700 0.351 0.000 1.057 409 T CA 1.373 63.673 62.100 0.333 0.000 1.136 409 T CB -0.010 69.022 68.868 0.275 0.000 0.874 409 T HN 0.251 nan 8.240 nan 0.000 0.466 410 S N 0.934 116.853 115.700 0.364 0.000 2.447 410 S HA 0.022 4.492 4.470 0.000 0.000 0.233 410 S C 1.886 176.509 174.600 0.039 0.000 1.006 410 S CA 0.599 58.893 58.200 0.157 0.000 0.957 410 S CB -0.083 63.212 63.200 0.159 0.000 0.773 410 S HN 0.464 nan 8.310 nan 0.000 0.507 411 R N 0.240 120.741 120.500 0.001 0.000 2.310 411 R HA 0.174 4.514 4.340 0.000 0.000 0.202 411 R C 1.433 177.734 176.300 0.001 0.000 0.933 411 R CA 0.559 56.598 56.100 -0.101 0.000 1.054 411 R CB 0.081 30.244 30.300 -0.229 0.000 0.985 411 R HN 0.439 nan 8.270 nan 0.000 0.489 412 G N 0.553 109.383 108.800 0.050 0.000 2.176 412 G HA2 -0.204 3.756 3.960 0.000 0.000 0.232 412 G HA3 -0.204 3.756 3.960 0.000 0.000 0.232 412 G C 0.141 175.115 174.900 0.124 0.000 0.986 412 G CA -0.571 44.606 45.100 0.128 0.000 0.643 412 G HN 0.064 nan 8.290 nan 0.000 0.522 413 L N 0.494 121.663 121.223 -0.090 0.000 2.483 413 L HA 0.468 4.808 4.340 0.000 0.000 0.276 413 L C 1.163 178.149 176.870 0.193 0.000 1.213 413 L CA 0.687 55.459 54.840 -0.112 0.000 0.843 413 L CB 0.495 42.265 42.059 -0.481 0.000 1.107 413 L HN 0.188 nan 8.230 nan 0.000 0.487 414 L N 1.107 122.477 121.223 0.244 0.000 2.230 414 L HA 0.305 4.645 4.340 0.000 0.000 0.255 414 L C 1.198 178.256 176.870 0.313 0.000 1.039 414 L CA -0.801 54.191 54.840 0.253 0.000 0.846 414 L CB 1.041 43.208 42.059 0.179 0.000 1.419 414 L HN 0.434 nan 8.230 nan 0.000 0.435 415 E N 0.106 120.432 120.200 0.210 0.000 2.108 415 E HA -0.254 4.096 4.350 0.000 0.000 0.203 415 E C 1.620 178.337 176.600 0.195 0.000 1.022 415 E CA 1.915 58.424 56.400 0.182 0.000 0.823 415 E CB -0.102 29.651 29.700 0.089 0.000 0.744 415 E HN 0.354 nan 8.360 nan 0.000 0.456 416 K N 0.350 120.843 120.400 0.155 0.000 2.148 416 K HA -0.126 4.194 4.320 0.000 0.000 0.204 416 K C 1.545 178.235 176.600 0.150 0.000 1.050 416 K CA 1.243 57.604 56.287 0.123 0.000 0.942 416 K CB -0.010 32.547 32.500 0.096 0.000 0.724 416 K HN 0.194 nan 8.250 nan 0.000 0.446 417 D N 0.350 120.884 120.400 0.224 0.000 2.117 417 D HA -0.124 4.516 4.640 0.000 0.000 0.198 417 D C 1.685 178.070 176.300 0.141 0.000 0.982 417 D CA 1.107 55.277 54.000 0.283 0.000 0.828 417 D CB -0.148 40.829 40.800 0.296 0.000 0.967 417 D HN 0.112 nan 8.370 nan 0.000 0.464 418 F N 1.586 121.614 119.950 0.130 0.000 2.365 418 F HA -0.068 4.459 4.527 0.000 0.000 0.300 418 F C 2.552 178.380 175.800 0.047 0.000 1.090 418 F CA 0.832 58.884 58.000 0.087 0.000 1.408 418 F CB -0.070 38.962 39.000 0.053 0.000 1.060 418 F HN -0.070 nan 8.300 nan 0.000 0.534 419 Q N -0.274 119.630 119.800 0.174 0.000 2.172 419 Q HA -0.191 4.149 4.340 0.000 0.000 0.200 419 Q C 2.121 178.120 176.000 -0.002 0.000 0.964 419 Q CA 1.105 56.966 55.803 0.098 0.000 0.855 419 Q CB -0.188 28.581 28.738 0.052 0.000 0.918 419 Q HN 0.356 nan 8.270 nan 0.000 0.444 420 K N 0.561 120.867 120.400 -0.155 0.000 2.103 420 K HA -0.089 4.231 4.320 0.000 0.000 0.204 420 K C 1.931 178.243 176.600 -0.480 0.000 1.052 420 K CA 0.664 56.673 56.287 -0.464 0.000 0.945 420 K CB 0.194 32.307 32.500 -0.645 0.000 0.722 420 K HN -0.014 nan 8.250 nan 0.000 0.443 421 V N 1.169 120.990 119.914 -0.154 0.000 2.343 421 V HA -0.231 3.889 4.120 0.000 0.000 0.247 421 V C 2.328 178.487 176.094 0.108 0.000 1.051 421 V CA 1.926 64.278 62.300 0.088 0.000 1.036 421 V CB -0.583 31.290 31.823 0.082 0.000 0.654 421 V HN 0.452 nan 8.190 nan 0.000 0.451 422 A N -0.709 122.168 122.820 0.095 0.000 1.940 422 A HA -0.278 4.042 4.320 0.000 0.000 0.219 422 A C 1.998 179.604 177.584 0.036 0.000 1.176 422 A CA 2.244 54.320 52.037 0.065 0.000 0.631 422 A CB -0.742 18.304 19.000 0.075 0.000 0.814 422 A HN 0.679 nan 8.150 nan 0.000 0.446 423 H N -2.069 116.937 119.070 -0.107 0.000 2.428 423 H HA 0.060 4.616 4.556 0.000 0.000 0.296 423 H C 1.580 176.894 175.328 -0.024 0.000 1.062 423 H CA 1.436 57.433 56.048 -0.084 0.000 1.350 423 H CB -0.236 29.389 29.762 -0.228 0.000 1.403 423 H HN 0.516 nan 8.280 nan 0.000 0.533 424 F N 0.155 120.162 119.950 0.095 0.000 2.113 424 F HA -0.090 4.437 4.527 0.000 0.000 0.297 424 F C 2.261 178.087 175.800 0.044 0.000 1.103 424 F CA 0.807 58.833 58.000 0.043 0.000 1.248 424 F CB -0.769 38.234 39.000 0.004 0.000 0.999 424 F HN 0.111 nan 8.300 nan 0.000 0.475 425 I N -0.816 119.893 120.570 0.231 0.000 2.208 425 I HA -0.343 3.827 4.170 0.000 0.000 0.245 425 I C 2.533 178.715 176.117 0.108 0.000 1.097 425 I CA 1.718 63.086 61.300 0.113 0.000 1.363 425 I CB -0.610 37.403 38.000 0.021 0.000 1.051 425 I HN 0.157 nan 8.210 nan 0.000 0.413 426 H N 1.698 120.766 119.070 -0.003 0.000 2.321 426 H HA -0.099 4.458 4.556 0.000 0.000 0.300 426 H C 2.347 177.734 175.328 0.100 0.000 1.087 426 H CA 1.665 57.746 56.048 0.056 0.000 1.319 426 H CB -0.006 29.752 29.762 -0.007 0.000 1.379 426 H HN 0.048 nan 8.280 nan 0.000 0.501 427 R N -0.249 120.255 120.500 0.006 0.000 2.096 427 R HA -0.112 4.228 4.340 0.000 0.000 0.240 427 R C 2.590 178.891 176.300 0.001 0.000 1.139 427 R CA 1.170 57.252 56.100 -0.031 0.000 0.952 427 R CB -1.210 29.154 30.300 0.107 0.000 0.854 427 R HN 0.530 nan 8.270 nan 0.000 0.436 428 G N 1.887 110.726 108.800 0.064 0.000 2.446 428 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 428 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 428 G C 1.482 176.421 174.900 0.066 0.000 1.168 428 G CA 0.491 45.631 45.100 0.067 0.000 0.771 428 G HN 0.110 nan 8.290 nan 0.000 0.551 429 I N 1.340 121.962 120.570 0.086 0.000 2.208 429 I HA -0.130 4.040 4.170 0.000 0.000 0.245 429 I C 2.588 178.749 176.117 0.074 0.000 1.097 429 I CA 1.118 62.494 61.300 0.127 0.000 1.363 429 I CB -1.288 36.885 38.000 0.289 0.000 1.051 429 I HN 0.373 nan 8.210 nan 0.000 0.413 430 E N 0.512 120.702 120.200 -0.017 0.000 2.077 430 E HA -0.243 4.107 4.350 0.000 0.000 0.193 430 E C 2.194 178.800 176.600 0.009 0.000 0.989 430 E CA 0.987 57.356 56.400 -0.052 0.000 0.800 430 E CB -0.231 29.367 29.700 -0.169 0.000 0.746 430 E HN 0.260 nan 8.360 nan 0.000 0.452 431 L N 1.096 122.334 121.223 0.024 0.000 2.027 431 L HA -0.147 4.193 4.340 0.000 0.000 0.206 431 L C 2.570 179.483 176.870 0.071 0.000 1.074 431 L CA 2.390 57.263 54.840 0.054 0.000 0.745 431 L CB -1.070 41.023 42.059 0.056 0.000 0.898 431 L HN 0.106 nan 8.230 nan 0.000 0.433 432 T N -2.137 112.473 114.554 0.094 0.000 2.788 432 T HA -0.146 4.204 4.350 0.000 0.000 0.268 432 T C 1.911 176.702 174.700 0.152 0.000 1.044 432 T CA 1.787 63.983 62.100 0.161 0.000 1.139 432 T CB -0.468 68.505 68.868 0.176 0.000 0.867 432 T HN 0.160 nan 8.240 nan 0.000 0.454 433 V N 1.022 120.995 119.914 0.097 0.000 2.427 433 V HA -0.144 3.976 4.120 0.000 0.000 0.248 433 V C 2.824 178.964 176.094 0.075 0.000 1.051 433 V CA 2.121 64.468 62.300 0.078 0.000 1.048 433 V CB -0.787 31.067 31.823 0.052 0.000 0.666 433 V HN 0.534 nan 8.190 nan 0.000 0.456 434 Q N -0.432 119.412 119.800 0.072 0.000 2.061 434 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 434 Q C 2.132 178.182 176.000 0.082 0.000 0.984 434 Q CA 1.891 57.748 55.803 0.091 0.000 0.846 434 Q CB -0.201 28.609 28.738 0.121 0.000 0.902 434 Q HN 0.602 nan 8.270 nan 0.000 0.421 435 I N 0.091 120.638 120.570 -0.039 0.000 2.614 435 I HA -0.242 3.928 4.170 0.000 0.000 0.258 435 I C 2.362 178.447 176.117 -0.054 0.000 1.189 435 I CA 0.884 61.989 61.300 -0.324 0.000 1.462 435 I CB -0.238 37.422 38.000 -0.567 0.000 1.092 435 I HN 0.350 nan 8.210 nan 0.000 0.442 436 Q N 0.946 120.826 119.800 0.135 0.000 2.137 436 Q HA -0.168 4.172 4.340 0.000 0.000 0.198 436 Q C 1.459 177.518 176.000 0.100 0.000 0.960 436 Q CA 1.230 57.147 55.803 0.190 0.000 0.847 436 Q CB 0.275 29.105 28.738 0.153 0.000 0.915 436 Q HN 0.403 nan 8.270 nan 0.000 0.448 437 D N 0.366 120.810 120.400 0.074 0.000 2.269 437 D HA -0.116 4.524 4.640 0.000 0.000 0.208 437 D C 0.830 177.166 176.300 0.059 0.000 0.963 437 D CA 1.003 55.038 54.000 0.058 0.000 0.864 437 D CB -0.064 40.768 40.800 0.053 0.000 0.936 437 D HN 0.328 nan 8.370 nan 0.000 0.505 438 D N -0.836 119.603 120.400 0.066 0.000 2.323 438 D HA -0.017 4.623 4.640 0.000 0.000 0.209 438 D C 1.479 177.809 176.300 0.050 0.000 0.973 438 D CA 0.782 54.828 54.000 0.076 0.000 0.874 438 D CB 0.390 41.282 40.800 0.153 0.000 0.930 438 D HN -0.032 nan 8.370 nan 0.000 0.521 439 T N -1.208 113.373 114.554 0.045 0.000 3.010 439 T HA 0.436 4.786 4.350 0.000 0.000 0.252 439 T C 0.908 175.640 174.700 0.053 0.000 1.047 439 T CA 0.577 62.707 62.100 0.050 0.000 1.140 439 T CB 0.571 69.500 68.868 0.102 0.000 0.885 439 T HN 0.326 nan 8.240 nan 0.000 0.464 440 G N 1.234 110.067 108.800 0.055 0.000 2.316 440 G HA2 0.084 4.044 3.960 0.000 0.000 0.349 440 G HA3 0.084 4.044 3.960 0.000 0.000 0.349 440 G C -2.227 172.696 174.900 0.038 0.000 1.274 440 G CA -0.227 44.898 45.100 0.042 0.000 1.018 440 G HN 0.050 nan 8.290 nan 0.000 0.486 441 P HA 0.157 nan 4.420 nan 0.000 0.211 441 P C 0.971 178.281 177.300 0.017 0.000 1.183 441 P CA 0.621 63.733 63.100 0.020 0.000 0.901 441 P CB 0.290 31.999 31.700 0.015 0.000 0.762 442 R N 0.368 120.878 120.500 0.016 0.000 2.555 442 R HA 0.440 4.780 4.340 0.000 0.000 0.272 442 R C 0.574 176.885 176.300 0.019 0.000 1.089 442 R CA -0.481 55.627 56.100 0.013 0.000 1.126 442 R CB -0.995 29.312 30.300 0.011 0.000 1.250 442 R HN 0.225 nan 8.270 nan 0.000 0.551 443 A N 0.378 123.215 122.820 0.029 0.000 2.406 443 A HA 0.193 4.513 4.320 0.000 0.000 0.243 443 A C 0.419 178.026 177.584 0.039 0.000 1.082 443 A CA 0.183 52.245 52.037 0.042 0.000 0.786 443 A CB 0.370 19.409 19.000 0.066 0.000 1.029 443 A HN 0.165 nan 8.150 nan 0.000 0.495 444 T N 0.246 114.829 114.554 0.048 0.000 2.902 444 T HA 0.357 4.707 4.350 0.000 0.000 0.283 444 T C 1.101 175.843 174.700 0.070 0.000 1.009 444 T CA -0.443 61.681 62.100 0.041 0.000 1.051 444 T CB 0.604 69.492 68.868 0.033 0.000 0.999 444 T HN 0.725 nan 8.240 nan 0.000 0.474 445 L N 3.928 125.173 121.223 0.037 0.000 2.187 445 L HA 0.075 4.415 4.340 0.000 0.000 0.213 445 L C 2.234 179.174 176.870 0.116 0.000 1.100 445 L CA 2.016 56.886 54.840 0.050 0.000 0.765 445 L CB -0.779 41.266 42.059 -0.022 0.000 0.904 445 L HN 0.718 nan 8.230 nan 0.000 0.437 446 K N 0.268 120.713 120.400 0.075 0.000 2.026 446 K HA -0.188 4.132 4.320 0.000 0.000 0.208 446 K C 1.935 178.583 176.600 0.079 0.000 1.048 446 K CA 2.117 58.444 56.287 0.066 0.000 0.929 446 K CB -0.303 32.222 32.500 0.042 0.000 0.713 446 K HN 0.542 nan 8.250 nan 0.000 0.439 447 E N -0.808 119.441 120.200 0.082 0.000 2.072 447 E HA -0.147 4.203 4.350 0.000 0.000 0.191 447 E C 1.884 178.534 176.600 0.084 0.000 0.985 447 E CA 1.132 57.573 56.400 0.068 0.000 0.801 447 E CB -0.294 29.442 29.700 0.060 0.000 0.750 447 E HN 0.352 nan 8.360 nan 0.000 0.452 448 F N 2.339 122.278 119.950 -0.019 0.000 2.091 448 F HA -0.242 4.285 4.527 0.000 0.000 0.299 448 F C 1.890 177.669 175.800 -0.035 0.000 1.103 448 F CA 1.639 59.618 58.000 -0.034 0.000 1.228 448 F CB 0.086 39.066 39.000 -0.033 0.000 0.984 448 F HN -0.195 nan 8.300 nan 0.000 0.477 449 K N 0.059 120.567 120.400 0.180 0.000 2.147 449 K HA -0.169 4.151 4.320 0.000 0.000 0.205 449 K C 1.901 178.474 176.600 -0.044 0.000 1.049 449 K CA 1.748 58.076 56.287 0.068 0.000 0.936 449 K CB -0.271 32.301 32.500 0.121 0.000 0.722 449 K HN 0.480 nan 8.250 nan 0.000 0.446 450 E N 0.883 121.064 120.200 -0.031 0.000 2.072 450 E HA -0.176 4.174 4.350 0.000 0.000 0.190 450 E C 1.943 178.497 176.600 -0.077 0.000 0.982 450 E CA 0.833 57.211 56.400 -0.037 0.000 0.803 450 E CB 0.028 29.721 29.700 -0.011 0.000 0.755 450 E HN 0.049 nan 8.360 nan 0.000 0.453 451 K N 1.593 121.916 120.400 -0.129 0.000 2.103 451 K HA -0.167 4.153 4.320 0.000 0.000 0.207 451 K C 1.944 178.421 176.600 -0.205 0.000 1.048 451 K CA 0.801 56.994 56.287 -0.158 0.000 0.930 451 K CB -0.345 32.019 32.500 -0.227 0.000 0.716 451 K HN 0.087 nan 8.250 nan 0.000 0.444 452 L N -0.386 120.641 121.223 -0.327 0.000 2.275 452 L HA 0.146 4.486 4.340 0.000 0.000 0.215 452 L C 1.796 178.598 176.870 -0.114 0.000 1.119 452 L CA 1.847 56.513 54.840 -0.289 0.000 0.790 452 L CB -0.455 41.382 42.059 -0.370 0.000 0.919 452 L HN 0.232 nan 8.230 nan 0.000 0.443 453 A N -1.264 121.508 122.820 -0.079 0.000 1.993 453 A HA 0.391 4.711 4.320 0.000 0.000 0.207 453 A C 1.884 179.456 177.584 -0.019 0.000 1.224 453 A CA 0.454 52.470 52.037 -0.036 0.000 0.749 453 A CB -0.637 18.348 19.000 -0.025 0.000 0.884 453 A HN 0.385 nan 8.150 nan 0.000 0.467 454 G N -0.355 108.434 108.800 -0.019 0.000 3.591 454 G HA2 0.360 4.321 3.960 0.000 0.000 0.282 454 G HA3 0.360 4.321 3.960 0.000 0.000 0.282 454 G C -0.638 174.264 174.900 0.004 0.000 1.238 454 G CA 0.139 45.235 45.100 -0.007 0.000 0.993 454 G HN 0.239 nan 8.290 nan 0.000 0.542 455 D N 0.220 120.632 120.400 0.019 0.000 2.421 455 D HA 0.173 4.814 4.640 0.000 0.000 0.254 455 D C 0.766 177.074 176.300 0.013 0.000 1.238 455 D CA -0.463 53.561 54.000 0.041 0.000 0.919 455 D CB 1.861 42.764 40.800 0.170 0.000 1.152 455 D HN 0.004 nan 8.370 nan 0.000 0.552 456 E N 3.359 123.547 120.200 -0.020 0.000 2.118 456 E HA -0.198 4.153 4.350 0.000 0.000 0.195 456 E C 1.690 178.250 176.600 -0.066 0.000 0.992 456 E CA 1.322 57.703 56.400 -0.032 0.000 0.804 456 E CB 0.117 29.798 29.700 -0.032 0.000 0.741 456 E HN 0.504 nan 8.360 nan 0.000 0.458 457 K N -0.625 119.694 120.400 -0.135 0.000 2.020 457 K HA -0.234 4.086 4.320 0.000 0.000 0.212 457 K C 1.983 178.431 176.600 -0.253 0.000 1.050 457 K CA 1.821 57.965 56.287 -0.239 0.000 0.929 457 K CB -0.259 32.004 32.500 -0.396 0.000 0.714 457 K HN 0.350 nan 8.250 nan 0.000 0.443 458 H N -0.556 118.491 119.070 -0.038 0.000 2.403 458 H HA -0.048 4.508 4.556 0.000 0.000 0.298 458 H C 2.155 177.460 175.328 -0.039 0.000 1.059 458 H CA 1.133 57.154 56.048 -0.045 0.000 1.363 458 H CB -0.025 29.691 29.762 -0.076 0.000 1.410 458 H HN 0.298 nan 8.280 nan 0.000 0.528 459 Q N 1.504 121.349 119.800 0.075 0.000 2.291 459 Q HA -0.108 4.233 4.340 0.000 0.000 0.206 459 Q C 2.390 178.399 176.000 0.015 0.000 0.976 459 Q CA 1.079 56.901 55.803 0.032 0.000 0.875 459 Q CB -0.035 28.712 28.738 0.014 0.000 0.927 459 Q HN 0.317 nan 8.270 nan 0.000 0.450 460 R N -1.047 119.455 120.500 0.003 0.000 2.073 460 R HA -0.013 4.327 4.340 0.000 0.000 0.229 460 R C 1.976 178.280 176.300 0.007 0.000 1.120 460 R CA 1.126 57.224 56.100 -0.003 0.000 0.967 460 R CB -0.311 29.977 30.300 -0.020 0.000 0.862 460 R HN 0.274 nan 8.270 nan 0.000 0.436 461 A N 0.511 123.340 122.820 0.016 0.000 1.858 461 A HA -0.119 4.201 4.320 0.000 0.000 0.216 461 A C 2.236 179.838 177.584 0.030 0.000 1.190 461 A CA 1.737 53.790 52.037 0.028 0.000 0.617 461 A CB -0.764 18.265 19.000 0.048 0.000 0.827 461 A HN 0.208 nan 8.150 nan 0.000 0.443 462 V N 0.240 120.173 119.914 0.032 0.000 2.219 462 V HA -0.333 3.787 4.120 0.000 0.000 0.248 462 V C 2.644 178.745 176.094 0.012 0.000 1.053 462 V CA 2.503 64.817 62.300 0.023 0.000 1.009 462 V CB -0.908 30.927 31.823 0.020 0.000 0.636 462 V HN 0.703 nan 8.190 nan 0.000 0.445 463 R N 0.083 120.588 120.500 0.009 0.000 2.140 463 R HA -0.280 4.061 4.340 0.000 0.000 0.250 463 R C 2.218 178.520 176.300 0.004 0.000 1.150 463 R CA 2.096 58.199 56.100 0.004 0.000 0.966 463 R CB -0.508 29.794 30.300 0.003 0.000 0.869 463 R HN 0.534 nan 8.270 nan 0.000 0.445 464 A N 0.906 123.733 122.820 0.011 0.000 1.841 464 A HA -0.161 4.159 4.320 0.000 0.000 0.214 464 A C 2.032 179.626 177.584 0.017 0.000 1.195 464 A CA 1.245 53.292 52.037 0.016 0.000 0.611 464 A CB -0.736 18.278 19.000 0.023 0.000 0.835 464 A HN 0.372 nan 8.150 nan 0.000 0.443 465 L N 0.054 121.289 121.223 0.020 0.000 2.042 465 L HA -0.146 4.194 4.340 0.000 0.000 0.210 465 L C 2.423 179.263 176.870 -0.050 0.000 1.076 465 L CA 2.215 57.064 54.840 0.015 0.000 0.749 465 L CB -0.888 41.190 42.059 0.033 0.000 0.893 465 L HN 0.455 nan 8.230 nan 0.000 0.432 466 R N -0.647 119.830 120.500 -0.039 0.000 2.096 466 R HA -0.240 4.100 4.340 0.000 0.000 0.240 466 R C 2.314 178.576 176.300 -0.064 0.000 1.139 466 R CA 2.121 58.187 56.100 -0.057 0.000 0.952 466 R CB -0.417 29.866 30.300 -0.028 0.000 0.854 466 R HN 0.615 nan 8.270 nan 0.000 0.436 467 Q N 0.368 120.148 119.800 -0.032 0.000 2.061 467 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 467 Q C 1.705 177.692 176.000 -0.022 0.000 0.984 467 Q CA 2.001 57.794 55.803 -0.018 0.000 0.846 467 Q CB 0.022 28.762 28.738 0.002 0.000 0.902 467 Q HN 0.504 nan 8.270 nan 0.000 0.421 468 E N -0.653 119.530 120.200 -0.029 0.000 2.150 468 E HA -0.137 4.213 4.350 0.000 0.000 0.193 468 E C 2.068 178.551 176.600 -0.195 0.000 0.985 468 E CA 1.171 57.566 56.400 -0.008 0.000 0.814 468 E CB 0.137 29.906 29.700 0.115 0.000 0.752 468 E HN 0.200 nan 8.360 nan 0.000 0.466 469 V N 1.958 121.637 119.914 -0.392 0.000 2.323 469 V HA -0.216 3.904 4.120 0.000 0.000 0.244 469 V C 2.079 178.089 176.094 -0.140 0.000 1.041 469 V CA 1.738 63.727 62.300 -0.520 0.000 1.025 469 V CB -0.420 31.142 31.823 -0.436 0.000 0.656 469 V HN 0.227 nan 8.190 nan 0.000 0.451 470 E N 0.198 120.350 120.200 -0.079 0.000 2.150 470 E HA -0.140 4.210 4.350 0.000 0.000 0.193 470 E C 2.378 178.989 176.600 0.017 0.000 0.985 470 E CA 1.423 57.811 56.400 -0.021 0.000 0.814 470 E CB -0.188 29.499 29.700 -0.022 0.000 0.752 470 E HN 0.536 nan 8.360 nan 0.000 0.466 471 S N 1.023 116.747 115.700 0.040 0.000 2.355 471 S HA -0.127 4.343 4.470 0.000 0.000 0.222 471 S C 1.639 176.319 174.600 0.133 0.000 1.031 471 S CA 0.806 59.048 58.200 0.071 0.000 0.993 471 S CB -0.335 62.916 63.200 0.085 0.000 0.859 471 S HN 0.273 nan 8.310 nan 0.000 0.453 472 F N 2.778 122.756 119.950 0.047 0.000 2.134 472 F HA -0.066 4.461 4.527 0.000 0.000 0.299 472 F C 2.299 178.231 175.800 0.220 0.000 1.097 472 F CA 0.909 58.999 58.000 0.151 0.000 1.264 472 F CB -0.839 38.316 39.000 0.258 0.000 1.001 472 F HN 0.165 nan 8.300 nan 0.000 0.479 473 A N 0.503 123.358 122.820 0.058 0.000 1.902 473 A HA -0.025 4.295 4.320 0.000 0.000 0.217 473 A C 2.397 179.997 177.584 0.026 0.000 1.181 473 A CA 1.635 53.668 52.037 -0.007 0.000 0.623 473 A CB -1.590 17.413 19.000 0.005 0.000 0.818 473 A HN 0.492 nan 8.150 nan 0.000 0.443 474 A N -0.381 122.432 122.820 -0.011 0.000 2.131 474 A HA 0.001 4.322 4.320 0.000 0.000 0.220 474 A C 1.964 179.485 177.584 -0.105 0.000 1.158 474 A CA 1.240 53.253 52.037 -0.040 0.000 0.665 474 A CB -0.596 18.385 19.000 -0.032 0.000 0.795 474 A HN 0.498 nan 8.150 nan 0.000 0.460 475 L N -1.665 119.429 121.223 -0.214 0.000 2.362 475 L HA -0.003 4.337 4.340 0.000 0.000 0.219 475 L C -0.037 176.456 176.870 -0.628 0.000 1.134 475 L CA 0.197 54.758 54.840 -0.466 0.000 0.807 475 L CB -0.290 41.337 42.059 -0.721 0.000 0.927 475 L HN 0.339 nan 8.230 nan 0.000 0.447 476 F N -0.399 119.421 119.950 -0.217 0.000 2.507 476 F HA 0.465 4.992 4.527 0.000 0.000 0.327 476 F C -1.779 173.918 175.800 -0.171 0.000 1.068 476 F CA -2.929 54.954 58.000 -0.194 0.000 0.965 476 F CB 0.171 39.027 39.000 -0.239 0.000 1.192 476 F HN -0.266 nan 8.300 nan 0.000 0.476 477 P HA 0.214 nan 4.420 nan 0.000 0.274 477 P C -1.277 175.942 177.300 -0.135 0.000 1.246 477 P CA -0.289 62.781 63.100 -0.050 0.000 0.795 477 P CB 1.636 33.311 31.700 -0.041 0.000 1.006 478 L N 2.944 124.065 121.223 -0.169 0.000 2.353 478 L HA 0.472 4.812 4.340 0.000 0.000 0.270 478 L C -2.473 174.266 176.870 -0.218 0.000 1.003 478 L CA -2.204 52.455 54.840 -0.301 0.000 0.862 478 L CB 0.570 42.500 42.059 -0.215 0.000 1.221 478 L HN 0.198 nan 8.230 nan 0.000 0.430 479 P HA 0.568 nan 4.420 nan 0.000 0.270 479 P C 0.127 177.428 177.300 0.001 0.000 1.221 479 P CA 0.431 63.477 63.100 -0.089 0.000 0.788 479 P CB 0.527 32.196 31.700 -0.052 0.000 0.904 480 G N -0.925 107.896 108.800 0.035 0.000 2.306 480 G HA2 -0.051 3.909 3.960 0.000 0.000 0.262 480 G HA3 -0.051 3.909 3.960 0.000 0.000 0.262 480 G C -1.219 173.715 174.900 0.056 0.000 1.263 480 G CA -0.902 44.239 45.100 0.069 0.000 1.088 480 G HN 0.544 nan 8.290 nan 0.000 0.489 481 L N 1.095 122.368 121.223 0.083 0.000 2.466 481 L HA 0.371 4.711 4.340 0.000 0.000 0.257 481 L C -1.656 175.263 176.870 0.083 0.000 1.189 481 L CA -1.509 53.374 54.840 0.071 0.000 0.813 481 L CB 0.538 42.644 42.059 0.079 0.000 1.118 481 L HN 0.286 nan 8.230 nan 0.000 0.471 482 P HA -0.064 nan 4.420 nan 0.000 0.225 482 P C 0.601 177.963 177.300 0.103 0.000 1.054 482 P CA 0.700 63.835 63.100 0.059 0.000 1.244 482 P CB -0.295 31.427 31.700 0.038 0.000 1.310 483 G N 1.799 110.646 108.800 0.077 0.000 2.379 483 G HA2 -0.280 3.680 3.960 0.000 0.000 0.297 483 G HA3 -0.280 3.680 3.960 0.000 0.000 0.297 483 G C -0.183 174.783 174.900 0.110 0.000 1.004 483 G CA -0.057 45.082 45.100 0.066 0.000 0.921 483 G HN 0.491 nan 8.290 nan 0.000 0.511 484 F N 0.000 119.929 119.950 -0.034 0.000 2.286 484 F HA 0.000 4.527 4.527 0.000 0.000 0.279 484 F CA 0.000 57.963 58.000 -0.061 0.000 1.383 484 F CB 0.000 38.978 39.000 -0.037 0.000 1.145 484 F HN 0.000 nan 8.300 nan 0.000 0.574