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 1cqz_1_A DATA FIRST_RESID 4 DATA SEQUENCE RVAAFDLDGV LALPSIXXXX XXXXXXXXXX XXXXXXXXXX XXXXGPTEQL DATA SEQUENCE MKGKITFSQW XXXXXXXXXX XXXXXXXXXX XXXXXXQIFS QAMAARSINR DATA SEQUENCE PMLQAAIALK KKGFTTCIVT NNWLDDGDKR DSLAQMMCEL SQHFDFLIES DATA SEQUENCE CQVGMIKPEP QIYNFLLDTL KAKPNEVVFL DDFGSNLKPA RDMGMVTILV DATA SEQUENCE HNTASALREL EKVTGTQFPE APLPVPCNPN DVSHGYVTVK PGIRLHFVEM DATA SEQUENCE GSGPALCLCH GFPESWFSWR YQIPALAQAG FRVLAIDMKG YGDSSSPPEI DATA SEQUENCE EEYAMELLCK EMVTFLDKLG IPQAVFIGHD WAGVMVWNMA LFYPERVRAV DATA SEQUENCE ASLNTPFMPP DPDVSPMKVI RSIPVFNYQL YFQEPGVAEA ELEKNMSRTF DATA SEQUENCE KSFFRASDET GFIAVHKATE IGGILVNTPE DPNLSKITTE EEIEFYIQQF DATA SEQUENCE KKTGFRGPLN WYRNTERNWK WSCKGLGRKI LVPALMVTAE KDIVLRPEMS DATA SEQUENCE KNMEKWIPFL KRGHIEDCGH WTQIEKPTEV NQILIKWLQT E 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 175.991 176.300 -0.515 0.000 0.893 4 R CA 0.000 55.751 56.100 -0.582 0.000 0.921 4 R CB 0.000 29.847 30.300 -0.755 0.000 0.687 5 V N 0.555 120.339 119.914 -0.217 0.000 2.960 5 V HA 0.916 5.036 4.120 -0.000 0.000 0.315 5 V C -0.842 175.322 176.094 0.115 0.000 1.087 5 V CA -0.484 61.813 62.300 -0.004 0.000 0.982 5 V CB 1.839 33.658 31.823 -0.006 0.000 1.039 5 V HN 0.856 nan 8.190 nan 0.000 0.437 6 A N 2.089 124.990 122.820 0.136 0.000 2.385 6 A HA 0.902 5.222 4.320 -0.000 0.000 0.290 6 A C -0.476 176.960 177.584 -0.247 0.000 1.094 6 A CA -0.164 51.856 52.037 -0.029 0.000 0.729 6 A CB 1.307 20.365 19.000 0.097 0.000 1.194 6 A HN 1.353 nan 8.150 nan 0.000 0.442 7 A N 1.901 124.494 122.820 -0.378 0.000 2.325 7 A HA 0.955 5.275 4.320 -0.000 0.000 0.333 7 A C -0.999 176.334 177.584 -0.418 0.000 1.155 7 A CA -0.362 51.492 52.037 -0.304 0.000 0.814 7 A CB 0.457 19.267 19.000 -0.316 0.000 1.206 7 A HN 0.852 nan 8.150 nan 0.000 0.482 8 F N 0.199 120.254 119.950 0.174 0.000 2.588 8 F HA 0.466 4.993 4.527 -0.000 0.000 0.310 8 F C 0.092 175.969 175.800 0.127 0.000 1.082 8 F CA -0.692 57.417 58.000 0.182 0.000 0.929 8 F CB 1.857 40.922 39.000 0.109 0.000 1.254 8 F HN 0.692 nan 8.300 nan 0.000 0.455 9 D N 0.307 120.914 120.400 0.345 0.000 2.511 9 D HA 0.497 5.137 4.640 -0.000 0.000 0.276 9 D C 0.041 176.402 176.300 0.101 0.000 1.220 9 D CA -0.035 54.094 54.000 0.215 0.000 1.077 9 D CB 1.306 42.232 40.800 0.209 0.000 1.126 9 D HN 0.493 nan 8.370 nan 0.000 0.583 10 L N -0.332 120.923 121.223 0.053 0.000 3.195 10 L HA 0.207 4.547 4.340 -0.000 0.000 0.290 10 L C 0.961 177.831 176.870 -0.000 0.000 1.092 10 L CA 0.016 54.847 54.840 -0.015 0.000 1.094 10 L CB 0.066 42.073 42.059 -0.087 0.000 1.743 10 L HN 0.276 nan 8.230 nan 0.000 0.579 11 D N 1.313 121.749 120.400 0.060 0.000 2.254 11 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 11 D C 1.198 177.535 176.300 0.063 0.000 0.998 11 D CA 1.794 55.865 54.000 0.119 0.000 0.885 11 D CB -0.029 40.951 40.800 0.299 0.000 0.915 11 D HN 0.490 nan 8.370 nan 0.000 0.460 12 G N -1.472 107.338 108.800 0.016 0.000 4.918 12 G HA2 0.273 4.233 3.960 -0.000 0.000 0.220 12 G HA3 0.273 4.233 3.960 -0.000 0.000 0.220 12 G C 0.199 175.082 174.900 -0.029 0.000 2.090 12 G CA -0.316 44.765 45.100 -0.032 0.000 0.632 12 G HN 0.148 nan 8.290 nan 0.000 0.234 13 V N -0.534 119.380 119.914 -0.001 0.000 3.180 13 V HA 0.306 4.426 4.120 -0.000 0.000 0.246 13 V C 1.599 177.697 176.094 0.006 0.000 1.545 13 V CA 0.500 62.814 62.300 0.023 0.000 1.138 13 V CB 0.358 32.231 31.823 0.084 0.000 0.978 13 V HN 0.308 nan 8.190 nan 0.000 0.437 14 L N 0.334 121.546 121.223 -0.019 0.000 2.766 14 L HA 0.697 5.037 4.340 -0.000 0.000 0.242 14 L C 0.446 177.284 176.870 -0.054 0.000 1.136 14 L CA 0.647 55.451 54.840 -0.059 0.000 0.933 14 L CB 0.989 42.989 42.059 -0.099 0.000 1.241 14 L HN 0.280 nan 8.230 nan 0.000 0.522 15 A N 0.777 123.570 122.820 -0.046 0.000 2.408 15 A HA 0.811 5.131 4.320 -0.000 0.000 0.295 15 A C -1.190 176.370 177.584 -0.039 0.000 1.040 15 A CA -0.257 51.750 52.037 -0.049 0.000 0.707 15 A CB 1.351 20.310 19.000 -0.069 0.000 1.235 15 A HN 0.049 nan 8.150 nan 0.000 0.418 16 L N 1.906 123.108 121.223 -0.035 0.000 2.469 16 L HA 0.549 4.889 4.340 -0.000 0.000 0.256 16 L C -2.588 174.266 176.870 -0.026 0.000 1.006 16 L CA -2.360 52.463 54.840 -0.028 0.000 0.832 16 L CB 2.953 44.998 42.059 -0.023 0.000 1.421 16 L HN 0.424 nan 8.230 nan 0.000 0.410 17 P HA 0.076 nan 4.420 nan 0.000 0.267 17 P C -0.081 177.207 177.300 -0.020 0.000 1.200 17 P CA 0.055 63.144 63.100 -0.018 0.000 0.772 17 P CB 0.665 32.358 31.700 -0.012 0.000 0.855 18 S N 1.011 116.701 115.700 -0.017 0.000 2.906 18 S HA 0.024 4.494 4.470 -0.000 0.000 0.254 18 S C 0.754 175.361 174.600 0.011 0.000 1.432 18 S CA 0.127 58.321 58.200 -0.010 0.000 0.997 18 S CB -0.139 63.044 63.200 -0.028 0.000 0.928 18 S HN 0.298 nan 8.310 nan 0.000 0.553 49 P HA 0.131 nan 4.420 nan 0.000 0.221 49 P C 1.517 178.960 177.300 0.238 0.000 1.155 49 P CA 1.766 64.896 63.100 0.050 0.000 0.812 49 P CB 0.171 31.810 31.700 -0.103 0.000 0.801 50 T N 0.206 114.886 114.554 0.211 0.000 2.851 50 T HA -0.095 4.255 4.350 -0.000 0.000 0.262 50 T C 1.687 176.543 174.700 0.260 0.000 1.043 50 T CA 0.874 63.253 62.100 0.465 0.000 1.140 50 T CB -0.599 68.454 68.868 0.309 0.000 0.872 50 T HN 0.191 nan 8.240 nan 0.000 0.446 51 E N 1.603 121.891 120.200 0.147 0.000 2.333 51 E HA -0.205 4.145 4.350 -0.000 0.000 0.200 51 E C 1.799 178.462 176.600 0.106 0.000 1.010 51 E CA 1.044 57.505 56.400 0.102 0.000 0.841 51 E CB 0.002 29.738 29.700 0.059 0.000 0.757 51 E HN 0.754 nan 8.360 nan 0.000 0.508 52 Q N -0.760 119.120 119.800 0.132 0.000 2.189 52 Q HA 0.130 4.470 4.340 -0.000 0.000 0.223 52 Q C 2.002 178.076 176.000 0.123 0.000 0.828 52 Q CA -0.209 55.661 55.803 0.112 0.000 0.967 52 Q CB -0.045 28.749 28.738 0.094 0.000 1.139 52 Q HN 0.230 nan 8.270 nan 0.000 0.497 53 L N 0.498 121.813 121.223 0.152 0.000 2.109 53 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 53 L C 2.311 179.248 176.870 0.111 0.000 1.086 53 L CA 0.957 55.837 54.840 0.067 0.000 0.760 53 L CB -0.092 41.881 42.059 -0.143 0.000 0.910 53 L HN 0.347 nan 8.230 nan 0.000 0.437 54 M N -0.569 119.117 119.600 0.142 0.000 2.086 54 M HA -0.278 4.202 4.480 -0.000 0.000 0.261 54 M C 2.178 178.545 176.300 0.112 0.000 1.067 54 M CA 1.821 57.217 55.300 0.160 0.000 1.116 54 M CB -0.609 32.082 32.600 0.151 0.000 1.348 54 M HN 0.115 nan 8.290 nan 0.000 0.407 55 K N -0.457 119.997 120.400 0.089 0.000 2.057 55 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 55 K C 1.259 177.890 176.600 0.051 0.000 1.049 55 K CA 1.413 57.736 56.287 0.060 0.000 0.931 55 K CB -0.062 32.468 32.500 0.049 0.000 0.714 55 K HN 0.625 nan 8.250 nan 0.000 0.440 56 G N -0.161 108.676 108.800 0.062 0.000 2.198 56 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.156 56 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.156 56 G C 0.532 175.460 174.900 0.046 0.000 1.012 56 G CA 0.130 45.261 45.100 0.053 0.000 0.692 56 G HN 0.164 nan 8.290 nan 0.000 0.492 57 K N -0.331 120.099 120.400 0.050 0.000 2.076 57 K HA 0.201 4.521 4.320 -0.000 0.000 0.204 57 K C 0.977 177.609 176.600 0.054 0.000 1.051 57 K CA 1.242 57.556 56.287 0.046 0.000 0.949 57 K CB 0.147 32.675 32.500 0.047 0.000 0.726 57 K HN 0.551 nan 8.250 nan 0.000 0.443 58 I N 0.656 121.267 120.570 0.069 0.000 2.607 58 I HA 0.127 4.297 4.170 -0.000 0.000 0.305 58 I C 0.779 176.917 176.117 0.034 0.000 0.995 58 I CA -0.923 60.421 61.300 0.073 0.000 1.148 58 I CB 1.412 39.498 38.000 0.144 0.000 1.323 58 I HN 0.018 nan 8.210 nan 0.000 0.461 59 T N 0.216 114.789 114.554 0.032 0.000 3.225 59 T HA 0.268 4.617 4.350 -0.000 0.000 0.347 59 T C 0.693 175.359 174.700 -0.055 0.000 1.254 59 T CA 0.374 62.496 62.100 0.036 0.000 0.950 59 T CB 0.157 69.070 68.868 0.074 0.000 1.873 59 T HN 0.532 nan 8.240 nan 0.000 0.563 60 F N -0.065 119.785 119.950 -0.166 0.000 2.298 60 F HA 0.271 4.798 4.527 -0.000 0.000 0.282 60 F C 2.944 178.661 175.800 -0.138 0.000 1.045 60 F CA 1.073 58.868 58.000 -0.341 0.000 1.280 60 F CB -0.756 38.139 39.000 -0.175 0.000 1.114 60 F HN 0.475 nan 8.300 nan 0.000 0.546 61 S N 0.099 115.831 115.700 0.053 0.000 2.392 61 S HA -0.256 4.214 4.470 -0.000 0.000 0.232 61 S C 1.059 175.657 174.600 -0.003 0.000 1.041 61 S CA 1.314 59.520 58.200 0.010 0.000 1.026 61 S CB -0.804 62.447 63.200 0.086 0.000 0.845 61 S HN 0.583 nan 8.310 nan 0.000 0.465 62 Q N -0.189 119.631 119.800 0.033 0.000 2.553 62 Q HA 0.254 4.594 4.340 -0.000 0.000 0.221 62 Q C -0.945 175.191 176.000 0.227 0.000 1.219 62 Q CA -0.265 55.587 55.803 0.081 0.000 0.955 62 Q CB 0.023 28.804 28.738 0.072 0.000 1.399 62 Q HN 0.455 nan 8.270 nan 0.000 0.551 91 I N 1.590 122.249 120.570 0.148 0.000 2.734 91 I HA 0.308 4.478 4.170 -0.000 0.000 0.301 91 I C 0.009 176.295 176.117 0.282 0.000 1.127 91 I CA 0.700 62.102 61.300 0.169 0.000 2.292 91 I CB -1.541 36.524 38.000 0.109 0.000 1.590 91 I HN 0.472 nan 8.210 nan 0.000 1.053 92 F N 1.829 121.843 119.950 0.106 0.000 2.841 92 F HA 0.107 4.634 4.527 -0.000 0.000 0.410 92 F C 1.735 177.632 175.800 0.161 0.000 0.898 92 F CA 0.554 58.630 58.000 0.127 0.000 0.967 92 F CB -0.389 38.693 39.000 0.136 0.000 1.227 92 F HN 0.071 nan 8.300 nan 0.000 0.570 93 S N 0.925 116.968 115.700 0.571 0.000 2.359 93 S HA -0.223 4.247 4.470 -0.000 0.000 0.224 93 S C 1.691 176.366 174.600 0.125 0.000 1.035 93 S CA 2.438 60.882 58.200 0.408 0.000 1.018 93 S CB -0.184 63.267 63.200 0.419 0.000 0.876 93 S HN 0.652 nan 8.310 nan 0.000 0.448 94 Q N 1.332 121.199 119.800 0.111 0.000 2.226 94 Q HA 0.188 4.528 4.340 -0.000 0.000 0.204 94 Q C 2.019 178.011 176.000 -0.013 0.000 0.975 94 Q CA 1.317 57.147 55.803 0.046 0.000 0.866 94 Q CB -0.962 27.809 28.738 0.055 0.000 0.915 94 Q HN 0.543 nan 8.270 nan 0.000 0.440 95 A N 0.426 123.210 122.820 -0.060 0.000 2.125 95 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 95 A C 1.907 179.390 177.584 -0.167 0.000 1.156 95 A CA 1.399 53.359 52.037 -0.129 0.000 0.671 95 A CB -0.418 18.453 19.000 -0.215 0.000 0.794 95 A HN 0.392 nan 8.150 nan 0.000 0.459 96 M N -0.633 118.867 119.600 -0.166 0.000 2.299 96 M HA 0.112 4.592 4.480 -0.000 0.000 0.264 96 M C 2.254 178.513 176.300 -0.068 0.000 1.095 96 M CA 1.629 56.863 55.300 -0.111 0.000 1.165 96 M CB -0.873 31.692 32.600 -0.059 0.000 1.349 96 M HN 0.361 nan 8.290 nan 0.000 0.446 97 A N 0.642 123.437 122.820 -0.042 0.000 1.877 97 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 97 A C 1.976 179.542 177.584 -0.030 0.000 1.186 97 A CA 1.933 53.953 52.037 -0.028 0.000 0.620 97 A CB -1.275 17.722 19.000 -0.005 0.000 0.822 97 A HN 0.623 nan 8.150 nan 0.000 0.443 98 A N -0.300 122.505 122.820 -0.026 0.000 2.236 98 A HA 0.281 4.601 4.320 -0.000 0.000 0.214 98 A C 0.931 178.498 177.584 -0.028 0.000 1.287 98 A CA 0.475 52.499 52.037 -0.021 0.000 0.909 98 A CB -0.707 18.286 19.000 -0.012 0.000 0.839 98 A HN 0.667 nan 8.150 nan 0.000 0.486 99 R N -0.792 119.685 120.500 -0.039 0.000 2.854 99 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 99 R C -0.446 175.829 176.300 -0.042 0.000 0.996 99 R CA 0.221 56.297 56.100 -0.040 0.000 0.961 99 R CB 1.534 31.804 30.300 -0.051 0.000 1.182 99 R HN 0.229 nan 8.270 nan 0.000 0.479 100 S N 2.065 117.743 115.700 -0.037 0.000 2.840 100 S HA 0.505 4.975 4.470 -0.000 0.000 0.307 100 S C -0.055 174.524 174.600 -0.036 0.000 1.180 100 S CA -1.039 57.139 58.200 -0.036 0.000 0.846 100 S CB 0.468 63.653 63.200 -0.025 0.000 1.233 100 S HN 0.543 nan 8.310 nan 0.000 0.548 101 I N 2.162 122.715 120.570 -0.029 0.000 2.779 101 I HA 0.221 4.391 4.170 -0.000 0.000 0.285 101 I C 0.263 176.363 176.117 -0.030 0.000 1.134 101 I CA -0.310 60.974 61.300 -0.028 0.000 1.398 101 I CB 0.315 38.307 38.000 -0.014 0.000 1.404 101 I HN 0.615 nan 8.210 nan 0.000 0.587 102 N N 5.209 123.886 118.700 -0.038 0.000 2.699 102 N HA 0.165 4.905 4.740 -0.000 0.000 0.232 102 N C 0.879 176.354 175.510 -0.058 0.000 1.027 102 N CA -0.426 52.598 53.050 -0.042 0.000 0.920 102 N CB 0.574 39.035 38.487 -0.043 0.000 1.148 102 N HN 0.466 nan 8.380 nan 0.000 0.509 103 R N 2.462 122.932 120.500 -0.050 0.000 2.091 103 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 103 R C -0.990 175.256 176.300 -0.089 0.000 1.136 103 R CA 1.047 57.109 56.100 -0.064 0.000 0.959 103 R CB -1.547 28.727 30.300 -0.042 0.000 0.856 103 R HN 0.458 nan 8.270 nan 0.000 0.437 104 P HA -0.117 nan 4.420 nan 0.000 0.217 104 P C 1.494 178.704 177.300 -0.150 0.000 1.150 104 P CA 1.234 64.285 63.100 -0.082 0.000 0.832 104 P CB -0.095 31.581 31.700 -0.039 0.000 0.787 105 M N -0.925 118.592 119.600 -0.139 0.000 2.156 105 M HA -0.030 4.450 4.480 -0.000 0.000 0.264 105 M C 2.291 178.416 176.300 -0.291 0.000 1.067 105 M CA 1.116 56.303 55.300 -0.189 0.000 1.131 105 M CB -1.456 31.072 32.600 -0.119 0.000 1.368 105 M HN -0.039 nan 8.290 nan 0.000 0.416 106 L N -0.256 120.836 121.223 -0.219 0.000 2.093 106 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 106 L C 2.542 179.229 176.870 -0.305 0.000 1.085 106 L CA 1.168 55.872 54.840 -0.227 0.000 0.755 106 L CB -0.217 41.770 42.059 -0.119 0.000 0.904 106 L HN 0.273 nan 8.230 nan 0.000 0.435 107 Q N 0.061 119.705 119.800 -0.260 0.000 1.993 107 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 107 Q C 2.330 178.128 176.000 -0.336 0.000 0.984 107 Q CA 1.936 57.589 55.803 -0.249 0.000 0.837 107 Q CB -0.604 28.038 28.738 -0.161 0.000 0.902 107 Q HN 0.650 nan 8.270 nan 0.000 0.423 108 A N 1.102 123.618 122.820 -0.506 0.000 1.915 108 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 108 A C 2.314 179.566 177.584 -0.553 0.000 1.198 108 A CA 2.795 54.249 52.037 -0.972 0.000 0.647 108 A CB -0.977 17.280 19.000 -1.238 0.000 0.825 108 A HN 0.443 nan 8.150 nan 0.000 0.456 109 A N -0.086 122.472 122.820 -0.437 0.000 1.877 109 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 109 A C 2.070 179.466 177.584 -0.314 0.000 1.186 109 A CA 1.617 53.450 52.037 -0.341 0.000 0.620 109 A CB -0.652 17.973 19.000 -0.626 0.000 0.822 109 A HN 0.565 nan 8.150 nan 0.000 0.443 110 I N -0.364 119.989 120.570 -0.361 0.000 2.614 110 I HA -0.208 3.962 4.170 -0.000 0.000 0.258 110 I C 2.794 178.804 176.117 -0.177 0.000 1.189 110 I CA 0.840 61.959 61.300 -0.302 0.000 1.462 110 I CB -0.816 36.968 38.000 -0.361 0.000 1.092 110 I HN 0.375 nan 8.210 nan 0.000 0.442 111 A N 2.359 125.089 122.820 -0.150 0.000 1.828 111 A HA -0.144 4.175 4.320 -0.000 0.000 0.215 111 A C 2.302 179.843 177.584 -0.071 0.000 1.203 111 A CA 1.294 53.305 52.037 -0.043 0.000 0.614 111 A CB -1.006 18.057 19.000 0.105 0.000 0.844 111 A HN 0.348 nan 8.150 nan 0.000 0.445 112 L N -0.514 120.636 121.223 -0.122 0.000 2.089 112 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 112 L C 2.679 179.485 176.870 -0.108 0.000 1.079 112 L CA 2.078 56.731 54.840 -0.312 0.000 0.758 112 L CB -0.706 41.113 42.059 -0.399 0.000 0.891 112 L HN 0.505 nan 8.230 nan 0.000 0.433 113 K N 0.877 121.244 120.400 -0.055 0.000 2.001 113 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 113 K C 2.247 178.846 176.600 -0.001 0.000 1.048 113 K CA 1.387 57.668 56.287 -0.010 0.000 0.932 113 K CB 0.008 32.452 32.500 -0.092 0.000 0.715 113 K HN 0.144 nan 8.250 nan 0.000 0.437 114 K N 1.122 121.503 120.400 -0.033 0.000 2.044 114 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 114 K C 1.992 178.603 176.600 0.017 0.000 1.049 114 K CA 1.472 57.752 56.287 -0.011 0.000 0.927 114 K CB -0.052 32.437 32.500 -0.018 0.000 0.713 114 K HN -0.037 nan 8.250 nan 0.000 0.443 115 K N 0.148 120.551 120.400 0.005 0.000 2.585 115 K HA -0.087 4.233 4.320 -0.000 0.000 0.194 115 K C -0.151 176.546 176.600 0.161 0.000 1.037 115 K CA 0.925 57.233 56.287 0.036 0.000 0.964 115 K CB -0.275 32.184 32.500 -0.069 0.000 0.787 115 K HN 0.510 nan 8.250 nan 0.000 0.488 116 G N 1.255 110.160 108.800 0.174 0.000 2.623 116 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.281 116 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.281 116 G C -0.699 174.462 174.900 0.435 0.000 1.087 116 G CA -0.413 44.821 45.100 0.223 0.000 1.244 116 G HN 0.146 nan 8.290 nan 0.000 0.544 117 F N -0.391 119.566 119.950 0.012 0.000 2.613 117 F HA 0.685 5.212 4.527 -0.000 0.000 0.314 117 F C 0.709 176.514 175.800 0.009 0.000 1.075 117 F CA -0.846 57.168 58.000 0.024 0.000 0.945 117 F CB 2.139 41.170 39.000 0.051 0.000 1.310 117 F HN 0.115 nan 8.300 nan 0.000 0.467 118 T N 1.458 116.087 114.554 0.125 0.000 2.780 118 T HA 0.534 4.884 4.350 -0.000 0.000 0.294 118 T C -0.093 174.702 174.700 0.159 0.000 0.949 118 T CA -0.418 61.726 62.100 0.074 0.000 1.074 118 T CB 0.590 69.482 68.868 0.040 0.000 0.910 118 T HN 0.641 nan 8.240 nan 0.000 0.501 119 T N -0.266 114.381 114.554 0.154 0.000 2.912 119 T HA 0.795 5.145 4.350 -0.000 0.000 0.288 119 T C -0.060 174.910 174.700 0.450 0.000 1.030 119 T CA -0.926 61.364 62.100 0.316 0.000 1.020 119 T CB 0.822 69.832 68.868 0.238 0.000 1.056 119 T HN 0.982 nan 8.240 nan 0.000 0.480 120 C N 0.452 120.122 119.300 0.616 0.000 3.295 120 C HA 0.811 5.271 4.460 -0.000 0.000 0.341 120 C C -1.556 173.548 174.990 0.191 0.000 1.418 120 C CA -1.298 57.969 59.018 0.415 0.000 1.240 120 C CB -0.046 27.810 27.740 0.193 0.000 1.562 120 C HN 1.030 nan 8.230 nan 0.000 0.457 121 I N 2.036 122.558 120.570 -0.079 0.000 2.439 121 I HA 0.553 4.723 4.170 -0.000 0.000 0.285 121 I C -0.475 175.575 176.117 -0.111 0.000 1.021 121 I CA -0.578 60.629 61.300 -0.154 0.000 1.091 121 I CB 1.932 39.706 38.000 -0.377 0.000 1.242 121 I HN 0.725 nan 8.210 nan 0.000 0.439 122 V N 2.063 121.914 119.914 -0.105 0.000 2.326 122 V HA 0.690 4.810 4.120 -0.000 0.000 0.281 122 V C -0.291 175.789 176.094 -0.024 0.000 1.015 122 V CA -0.197 62.023 62.300 -0.133 0.000 0.823 122 V CB 1.009 32.624 31.823 -0.346 0.000 1.009 122 V HN 0.784 nan 8.190 nan 0.000 0.436 123 T N 2.817 117.365 114.554 -0.010 0.000 2.906 123 T HA 0.488 4.838 4.350 -0.000 0.000 0.295 123 T C -0.579 174.147 174.700 0.042 0.000 1.075 123 T CA -0.638 61.481 62.100 0.032 0.000 1.005 123 T CB 1.826 70.683 68.868 -0.019 0.000 1.136 123 T HN 0.670 nan 8.240 nan 0.000 0.498 124 N N 4.249 123.000 118.700 0.086 0.000 2.482 124 N HA 0.298 5.038 4.740 -0.000 0.000 0.242 124 N C -0.029 175.539 175.510 0.098 0.000 1.100 124 N CA -0.194 52.921 53.050 0.108 0.000 0.946 124 N CB 0.246 38.817 38.487 0.140 0.000 1.227 124 N HN 0.493 nan 8.380 nan 0.000 0.508 125 N N 1.062 119.782 118.700 0.034 0.000 2.385 125 N HA 0.443 5.183 4.740 -0.000 0.000 0.291 125 N C -0.502 175.078 175.510 0.116 0.000 1.298 125 N CA -0.060 52.940 53.050 -0.082 0.000 0.955 125 N CB 0.583 38.998 38.487 -0.120 0.000 1.096 125 N HN 0.513 nan 8.380 nan 0.000 0.543 126 W N -1.395 119.875 121.300 -0.051 0.000 3.370 126 W HA 0.366 5.026 4.660 -0.000 0.000 0.304 126 W C -2.448 174.018 176.519 -0.088 0.000 1.161 126 W CA -0.867 56.434 57.345 -0.072 0.000 1.132 126 W CB -0.464 28.938 29.460 -0.096 0.000 1.377 126 W HN 0.095 nan 8.180 nan 0.000 0.568 127 L N 2.997 124.393 121.223 0.289 0.000 2.260 127 L HA 0.323 4.663 4.340 -0.000 0.000 0.289 127 L C -0.109 176.921 176.870 0.268 0.000 1.057 127 L CA 0.115 55.055 54.840 0.167 0.000 0.811 127 L CB 0.655 42.775 42.059 0.103 0.000 1.184 127 L HN 0.419 nan 8.230 nan 0.000 0.429 128 D N 1.530 122.016 120.400 0.144 0.000 2.468 128 D HA 0.182 4.822 4.640 -0.000 0.000 0.218 128 D C -0.107 176.262 176.300 0.115 0.000 1.155 128 D CA -0.180 53.900 54.000 0.133 0.000 0.924 128 D CB 0.603 41.405 40.800 0.003 0.000 1.029 128 D HN 0.508 nan 8.370 nan 0.000 0.515 129 D N 1.395 121.902 120.400 0.177 0.000 2.370 129 D HA 0.142 4.782 4.640 -0.000 0.000 0.230 129 D C 1.303 177.693 176.300 0.149 0.000 1.143 129 D CA -0.533 53.544 54.000 0.128 0.000 0.834 129 D CB -0.083 40.784 40.800 0.112 0.000 0.944 129 D HN 0.312 nan 8.370 nan 0.000 0.504 130 G N 1.131 110.045 108.800 0.189 0.000 2.846 130 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.257 130 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.257 130 G C 0.701 175.672 174.900 0.118 0.000 1.253 130 G CA -0.093 45.125 45.100 0.198 0.000 0.918 130 G HN 0.191 nan 8.290 nan 0.000 0.597 131 D N -1.066 119.402 120.400 0.113 0.000 2.301 131 D HA -0.024 4.616 4.640 -0.000 0.000 0.206 131 D C 0.672 177.004 176.300 0.053 0.000 0.979 131 D CA 0.548 54.591 54.000 0.072 0.000 0.874 131 D CB 0.218 41.060 40.800 0.070 0.000 0.968 131 D HN 0.461 nan 8.370 nan 0.000 0.510 132 K N 1.589 122.026 120.400 0.062 0.000 2.724 132 K HA 0.299 4.619 4.320 -0.000 0.000 0.198 132 K C 0.643 177.257 176.600 0.023 0.000 1.099 132 K CA -0.421 55.888 56.287 0.036 0.000 1.025 132 K CB 1.282 33.806 32.500 0.041 0.000 1.509 132 K HN 0.091 nan 8.250 nan 0.000 0.564 133 R N 0.591 121.099 120.500 0.013 0.000 2.335 133 R HA -0.019 4.321 4.340 -0.000 0.000 0.210 133 R C 0.203 176.482 176.300 -0.035 0.000 0.892 133 R CA 0.587 56.681 56.100 -0.010 0.000 1.048 133 R CB 0.055 30.360 30.300 0.010 0.000 1.067 133 R HN 0.192 nan 8.270 nan 0.000 0.524 134 D N 0.732 121.115 120.400 -0.029 0.000 2.263 134 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 134 D C 1.469 177.738 176.300 -0.051 0.000 0.971 134 D CA 0.910 54.885 54.000 -0.041 0.000 0.867 134 D CB -0.143 40.635 40.800 -0.037 0.000 0.929 134 D HN 0.069 nan 8.370 nan 0.000 0.492 135 S N -0.199 115.472 115.700 -0.049 0.000 2.359 135 S HA -0.134 4.336 4.470 -0.000 0.000 0.222 135 S C 1.675 176.229 174.600 -0.076 0.000 1.038 135 S CA 0.843 59.009 58.200 -0.056 0.000 1.051 135 S CB -0.503 62.666 63.200 -0.051 0.000 0.944 135 S HN 0.238 nan 8.310 nan 0.000 0.433 136 L N 1.381 122.546 121.223 -0.097 0.000 2.043 136 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 136 L C 2.398 179.198 176.870 -0.116 0.000 1.075 136 L CA 1.887 56.645 54.840 -0.135 0.000 0.752 136 L CB -0.909 41.042 42.059 -0.181 0.000 0.891 136 L HN 0.318 nan 8.230 nan 0.000 0.432 137 A N -1.273 121.493 122.820 -0.091 0.000 1.859 137 A HA -0.333 3.986 4.320 -0.000 0.000 0.217 137 A C 2.187 179.727 177.584 -0.074 0.000 1.198 137 A CA 2.116 54.106 52.037 -0.078 0.000 0.629 137 A CB -0.759 18.204 19.000 -0.062 0.000 0.830 137 A HN 0.547 nan 8.150 nan 0.000 0.446 138 Q N -1.416 118.344 119.800 -0.066 0.000 2.045 138 Q HA -0.248 4.091 4.340 -0.000 0.000 0.206 138 Q C 2.235 178.200 176.000 -0.057 0.000 0.991 138 Q CA 2.263 58.032 55.803 -0.058 0.000 0.851 138 Q CB -0.328 28.379 28.738 -0.052 0.000 0.911 138 Q HN 0.771 nan 8.270 nan 0.000 0.418 139 M N -0.699 118.861 119.600 -0.066 0.000 2.106 139 M HA -0.254 4.226 4.480 -0.000 0.000 0.259 139 M C 1.592 177.848 176.300 -0.073 0.000 1.068 139 M CA 1.433 56.693 55.300 -0.067 0.000 1.100 139 M CB 0.053 32.600 32.600 -0.089 0.000 1.351 139 M HN 0.214 nan 8.290 nan 0.000 0.404 140 M N -0.462 119.082 119.600 -0.092 0.000 2.081 140 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 140 M C 2.605 178.858 176.300 -0.077 0.000 1.075 140 M CA 1.472 56.714 55.300 -0.098 0.000 1.133 140 M CB -2.001 30.530 32.600 -0.114 0.000 1.330 140 M HN 0.640 nan 8.290 nan 0.000 0.414 141 C N 0.924 120.180 119.300 -0.072 0.000 2.391 141 C HA -0.235 4.225 4.460 -0.000 0.000 0.276 141 C C 2.717 177.662 174.990 -0.075 0.000 1.217 141 C CA 1.986 60.963 59.018 -0.068 0.000 1.766 141 C CB -1.013 26.690 27.740 -0.061 0.000 2.046 141 C HN 0.660 nan 8.230 nan 0.000 0.475 142 E N -0.342 119.823 120.200 -0.060 0.000 2.028 142 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 142 E C 2.159 178.714 176.600 -0.076 0.000 0.988 142 E CA 1.387 57.759 56.400 -0.048 0.000 0.799 142 E CB -0.305 29.392 29.700 -0.004 0.000 0.755 142 E HN 0.732 nan 8.360 nan 0.000 0.447 143 L N 1.055 122.268 121.223 -0.017 0.000 2.131 143 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 143 L C 2.748 179.630 176.870 0.019 0.000 1.092 143 L CA 1.137 56.026 54.840 0.081 0.000 0.759 143 L CB -0.614 41.477 42.059 0.052 0.000 0.903 143 L HN 0.273 nan 8.230 nan 0.000 0.435 144 S N 0.007 115.669 115.700 -0.064 0.000 2.406 144 S HA -0.359 4.111 4.470 -0.000 0.000 0.242 144 S C 1.957 176.488 174.600 -0.115 0.000 1.079 144 S CA 1.850 60.011 58.200 -0.065 0.000 1.133 144 S CB -0.419 62.728 63.200 -0.088 0.000 1.005 144 S HN 0.455 nan 8.310 nan 0.000 0.443 145 Q N 0.294 119.900 119.800 -0.324 0.000 2.437 145 Q HA 0.007 4.347 4.340 -0.000 0.000 0.210 145 Q C 1.271 177.053 176.000 -0.363 0.000 0.972 145 Q CA 0.975 56.559 55.803 -0.365 0.000 0.903 145 Q CB -0.484 28.023 28.738 -0.385 0.000 0.967 145 Q HN 0.843 nan 8.270 nan 0.000 0.486 146 H N -1.837 117.185 119.070 -0.080 0.000 2.586 146 H HA 0.242 4.798 4.556 -0.000 0.000 0.273 146 H C -0.383 174.530 175.328 -0.692 0.000 0.997 146 H CA -0.102 55.720 56.048 -0.378 0.000 1.177 146 H CB 0.140 29.598 29.762 -0.507 0.000 1.471 146 H HN 0.020 nan 8.280 nan 0.000 0.538 147 F N 0.662 120.597 119.950 -0.025 0.000 2.556 147 F HA 0.207 4.734 4.527 -0.000 0.000 0.314 147 F C 0.555 176.284 175.800 -0.118 0.000 1.106 147 F CA -1.117 56.864 58.000 -0.032 0.000 0.911 147 F CB 1.908 40.910 39.000 0.004 0.000 1.190 147 F HN -0.207 nan 8.300 nan 0.000 0.448 148 D N 1.119 121.480 120.400 -0.065 0.000 2.194 148 D HA 0.002 4.642 4.640 -0.000 0.000 0.204 148 D C -0.212 175.755 176.300 -0.556 0.000 0.964 148 D CA 1.362 55.122 54.000 -0.400 0.000 0.846 148 D CB 0.062 40.468 40.800 -0.656 0.000 0.962 148 D HN 0.072 nan 8.370 nan 0.000 0.490 149 F N -0.288 119.707 119.950 0.075 0.000 2.576 149 F HA 0.479 5.006 4.527 -0.000 0.000 0.313 149 F C -0.703 175.090 175.800 -0.011 0.000 1.078 149 F CA -1.611 56.392 58.000 0.005 0.000 0.921 149 F CB 1.867 40.836 39.000 -0.052 0.000 1.232 149 F HN -0.321 nan 8.300 nan 0.000 0.459 150 L N 4.427 125.754 121.223 0.173 0.000 2.454 150 L HA 0.567 4.907 4.340 -0.000 0.000 0.258 150 L C -0.985 175.896 176.870 0.018 0.000 1.025 150 L CA -0.126 54.739 54.840 0.041 0.000 0.901 150 L CB 0.584 42.645 42.059 0.004 0.000 1.210 150 L HN 0.535 nan 8.230 nan 0.000 0.457 151 I N 4.787 125.346 120.570 -0.019 0.000 2.213 151 I HA 0.111 4.281 4.170 -0.000 0.000 0.295 151 I C 0.213 176.345 176.117 0.024 0.000 1.172 151 I CA -0.064 61.239 61.300 0.006 0.000 1.443 151 I CB -0.155 37.786 38.000 -0.099 0.000 1.491 151 I HN 0.576 nan 8.210 nan 0.000 0.652 152 E N 3.216 123.434 120.200 0.030 0.000 2.152 152 E HA 0.146 4.496 4.350 -0.000 0.000 0.285 152 E C 1.168 177.790 176.600 0.035 0.000 1.043 152 E CA -0.182 56.219 56.400 0.002 0.000 0.839 152 E CB 1.234 30.916 29.700 -0.030 0.000 1.069 152 E HN 0.531 nan 8.360 nan 0.000 0.399 153 S N 3.272 118.996 115.700 0.040 0.000 2.380 153 S HA -0.327 4.143 4.470 -0.000 0.000 0.229 153 S C 1.977 176.605 174.600 0.046 0.000 1.050 153 S CA 1.615 59.849 58.200 0.057 0.000 1.100 153 S CB -1.069 62.176 63.200 0.075 0.000 0.984 153 S HN 0.921 nan 8.310 nan 0.000 0.434 154 C N 0.321 119.648 119.300 0.046 0.000 2.460 154 C HA 0.259 4.719 4.460 -0.000 0.000 0.291 154 C C 2.313 177.318 174.990 0.024 0.000 1.493 154 C CA 0.558 59.604 59.018 0.047 0.000 1.748 154 C CB -1.422 26.360 27.740 0.069 0.000 1.656 154 C HN 0.533 nan 8.230 nan 0.000 0.576 155 Q N 0.680 120.490 119.800 0.017 0.000 2.423 155 Q HA 0.182 4.522 4.340 -0.000 0.000 0.231 155 Q C 2.133 178.130 176.000 -0.005 0.000 0.894 155 Q CA 1.776 57.586 55.803 0.011 0.000 0.938 155 Q CB 0.403 29.153 28.738 0.020 0.000 1.079 155 Q HN 0.763 nan 8.270 nan 0.000 0.552 156 V N -2.967 116.936 119.914 -0.017 0.000 3.427 156 V HA 0.531 4.651 4.120 -0.000 0.000 0.305 156 V C 0.647 176.657 176.094 -0.141 0.000 1.412 156 V CA 0.291 62.518 62.300 -0.123 0.000 1.086 156 V CB -0.132 31.561 31.823 -0.216 0.000 0.964 156 V HN 0.240 nan 8.190 nan 0.000 0.439 157 G N 1.210 109.975 108.800 -0.059 0.000 2.387 157 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.270 157 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.270 157 G C -0.692 174.182 174.900 -0.042 0.000 0.957 157 G CA 0.952 46.028 45.100 -0.041 0.000 1.352 157 G HN 0.898 nan 8.290 nan 0.000 0.457 158 M N -0.051 119.551 119.600 0.003 0.000 2.724 158 M HA 0.551 5.031 4.480 -0.000 0.000 0.280 158 M C -1.071 175.274 176.300 0.075 0.000 1.090 158 M CA -0.604 54.715 55.300 0.032 0.000 0.838 158 M CB 1.949 34.565 32.600 0.026 0.000 1.729 158 M HN 1.003 nan 8.290 nan 0.000 0.530 159 I N -1.345 119.285 120.570 0.100 0.000 2.722 159 I HA 0.560 4.730 4.170 -0.000 0.000 0.292 159 I C -1.169 175.044 176.117 0.160 0.000 1.267 159 I CA -0.810 60.560 61.300 0.117 0.000 1.036 159 I CB 1.988 40.043 38.000 0.091 0.000 1.281 159 I HN 0.482 nan 8.210 nan 0.000 0.423 160 K N 4.713 125.234 120.400 0.202 0.000 2.414 160 K HA 0.256 4.576 4.320 -0.000 0.000 0.272 160 K C -1.872 174.820 176.600 0.154 0.000 0.993 160 K CA -1.089 55.376 56.287 0.296 0.000 0.964 160 K CB 0.233 32.926 32.500 0.322 0.000 0.925 160 K HN 0.481 nan 8.250 nan 0.000 0.487 161 P HA 0.025 nan 4.420 nan 0.000 0.257 161 P C -0.783 176.512 177.300 -0.008 0.000 1.325 161 P CA 0.035 63.214 63.100 0.132 0.000 0.850 161 P CB 0.253 31.980 31.700 0.045 0.000 1.324 162 E N 2.291 122.529 120.200 0.063 0.000 2.757 162 E HA -0.070 4.280 4.350 -0.000 0.000 0.238 162 E C -1.066 175.516 176.600 -0.030 0.000 1.057 162 E CA -0.832 55.579 56.400 0.019 0.000 0.952 162 E CB 0.200 29.936 29.700 0.059 0.000 0.934 162 E HN 0.292 nan 8.360 nan 0.000 0.518 163 P HA -0.256 nan 4.420 nan 0.000 0.220 163 P C 1.067 178.340 177.300 -0.045 0.000 1.142 163 P CA 1.387 64.331 63.100 -0.260 0.000 0.801 163 P CB 0.225 31.821 31.700 -0.173 0.000 0.764 164 Q N -0.109 119.718 119.800 0.046 0.000 2.123 164 Q HA -0.088 4.252 4.340 -0.000 0.000 0.199 164 Q C 2.241 178.366 176.000 0.208 0.000 0.966 164 Q CA 1.040 56.900 55.803 0.094 0.000 0.845 164 Q CB -1.170 27.594 28.738 0.044 0.000 0.907 164 Q HN 0.249 nan 8.270 nan 0.000 0.439 165 I N 0.457 121.205 120.570 0.297 0.000 2.194 165 I HA -0.298 3.872 4.170 -0.000 0.000 0.246 165 I C 1.910 178.244 176.117 0.363 0.000 1.093 165 I CA 1.455 62.967 61.300 0.353 0.000 1.355 165 I CB -0.735 37.449 38.000 0.308 0.000 1.046 165 I HN 0.039 nan 8.210 nan 0.000 0.413 166 Y N 0.758 121.097 120.300 0.064 0.000 2.242 166 Y HA -0.106 4.444 4.550 -0.000 0.000 0.291 166 Y C 2.439 178.350 175.900 0.017 0.000 1.137 166 Y CA 0.623 58.728 58.100 0.009 0.000 1.181 166 Y CB -1.233 37.242 38.460 0.025 0.000 0.989 166 Y HN 0.238 nan 8.280 nan 0.000 0.527 167 N N -0.597 118.246 118.700 0.239 0.000 2.396 167 N HA -0.139 4.601 4.740 -0.000 0.000 0.180 167 N C 1.598 177.206 175.510 0.163 0.000 1.028 167 N CA 0.709 53.847 53.050 0.146 0.000 0.893 167 N CB -0.330 38.222 38.487 0.110 0.000 0.967 167 N HN 0.313 nan 8.380 nan 0.000 0.440 168 F N 1.478 121.438 119.950 0.017 0.000 2.335 168 F HA 0.060 4.587 4.527 -0.000 0.000 0.296 168 F C 1.956 177.713 175.800 -0.070 0.000 1.091 168 F CA 0.187 58.170 58.000 -0.029 0.000 1.399 168 F CB -0.405 38.582 39.000 -0.023 0.000 1.067 168 F HN -0.103 nan 8.300 nan 0.000 0.520 169 L N 0.390 121.487 121.223 -0.210 0.000 2.005 169 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 169 L C 2.014 178.722 176.870 -0.270 0.000 1.072 169 L CA 1.861 56.475 54.840 -0.378 0.000 0.744 169 L CB -1.265 40.609 42.059 -0.308 0.000 0.895 169 L HN 0.147 nan 8.230 nan 0.000 0.433 170 L N 0.330 121.473 121.223 -0.133 0.000 2.013 170 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 170 L C 2.264 179.074 176.870 -0.100 0.000 1.073 170 L CA 1.930 56.719 54.840 -0.086 0.000 0.753 170 L CB -1.041 41.006 42.059 -0.021 0.000 0.890 170 L HN 0.349 nan 8.230 nan 0.000 0.432 171 D N -1.001 119.345 120.400 -0.091 0.000 2.088 171 D HA -0.171 4.469 4.640 -0.000 0.000 0.191 171 D C 2.148 178.346 176.300 -0.170 0.000 0.992 171 D CA 1.942 55.895 54.000 -0.078 0.000 0.831 171 D CB -0.644 40.161 40.800 0.009 0.000 0.973 171 D HN 0.266 nan 8.370 nan 0.000 0.447 172 T N 1.312 115.668 114.554 -0.330 0.000 2.544 172 T HA -0.205 4.145 4.350 -0.000 0.000 0.264 172 T C 1.976 176.410 174.700 -0.444 0.000 1.096 172 T CA 1.049 62.843 62.100 -0.511 0.000 1.181 172 T CB -0.691 67.687 68.868 -0.817 0.000 0.864 172 T HN -0.016 nan 8.240 nan 0.000 0.415 173 L N 0.765 121.794 121.223 -0.322 0.000 2.064 173 L HA -0.057 4.283 4.340 -0.000 0.000 0.216 173 L C 1.238 178.093 176.870 -0.026 0.000 1.077 173 L CA 1.671 56.471 54.840 -0.067 0.000 0.766 173 L CB -0.859 41.184 42.059 -0.027 0.000 0.890 173 L HN 0.463 nan 8.230 nan 0.000 0.435 174 K N -1.801 118.556 120.400 -0.071 0.000 3.350 174 K HA 0.028 4.348 4.320 -0.000 0.000 0.279 174 K C -0.689 175.897 176.600 -0.024 0.000 1.187 174 K CA 0.347 56.611 56.287 -0.039 0.000 0.830 174 K CB -1.288 31.204 32.500 -0.015 0.000 1.334 174 K HN 0.453 nan 8.250 nan 0.000 0.471 175 A N 0.794 123.596 122.820 -0.030 0.000 2.511 175 A HA 0.629 4.949 4.320 -0.000 0.000 0.293 175 A C -1.400 176.173 177.584 -0.019 0.000 1.098 175 A CA -1.107 50.916 52.037 -0.024 0.000 0.643 175 A CB 0.889 19.872 19.000 -0.027 0.000 1.302 175 A HN 0.130 nan 8.150 nan 0.000 0.446 176 K N 0.369 120.760 120.400 -0.014 0.000 2.098 176 K HA 0.479 4.799 4.320 -0.000 0.000 0.261 176 K C -2.148 174.452 176.600 -0.000 0.000 0.987 176 K CA -1.731 54.553 56.287 -0.005 0.000 0.916 176 K CB 0.846 33.344 32.500 -0.003 0.000 1.039 176 K HN 0.251 nan 8.250 nan 0.000 0.455 177 P HA -0.183 nan 4.420 nan 0.000 0.224 177 P C -0.354 176.963 177.300 0.027 0.000 1.142 177 P CA 1.290 64.407 63.100 0.029 0.000 0.778 177 P CB 0.022 31.749 31.700 0.044 0.000 0.764 178 N N 0.783 119.492 118.700 0.015 0.000 2.085 178 N HA -0.113 4.627 4.740 -0.000 0.000 0.191 178 N C 0.546 176.059 175.510 0.006 0.000 1.058 178 N CA 0.583 53.642 53.050 0.014 0.000 0.849 178 N CB -0.986 37.505 38.487 0.007 0.000 1.038 178 N HN 0.166 nan 8.380 nan 0.000 0.434 179 E N 1.288 121.479 120.200 -0.015 0.000 3.187 179 E HA 0.176 4.526 4.350 -0.000 0.000 0.297 179 E C -1.022 175.555 176.600 -0.039 0.000 1.515 179 E CA -0.020 56.355 56.400 -0.042 0.000 1.641 179 E CB 0.031 29.686 29.700 -0.074 0.000 1.314 179 E HN 0.073 nan 8.360 nan 0.000 0.462 180 V N 0.856 120.768 119.914 -0.003 0.000 2.719 180 V HA 0.238 4.358 4.120 -0.000 0.000 0.289 180 V C -1.151 174.968 176.094 0.042 0.000 1.167 180 V CA -0.988 61.315 62.300 0.005 0.000 0.929 180 V CB 1.889 33.703 31.823 -0.015 0.000 1.050 180 V HN 0.225 nan 8.190 nan 0.000 0.448 181 V N 7.025 126.970 119.914 0.052 0.000 2.427 181 V HA 0.790 4.910 4.120 -0.000 0.000 0.286 181 V C -1.142 174.999 176.094 0.078 0.000 1.034 181 V CA -0.318 62.026 62.300 0.074 0.000 0.893 181 V CB 1.578 33.449 31.823 0.079 0.000 0.982 181 V HN 0.868 nan 8.190 nan 0.000 0.452 182 F N 6.873 126.771 119.950 -0.086 0.000 2.508 182 F HA 0.762 5.289 4.527 -0.000 0.000 0.325 182 F C -1.045 174.698 175.800 -0.095 0.000 1.090 182 F CA -2.098 55.829 58.000 -0.121 0.000 0.945 182 F CB 2.015 40.974 39.000 -0.068 0.000 1.156 182 F HN 0.451 nan 8.300 nan 0.000 0.463 183 L N 5.647 126.906 121.223 0.060 0.000 2.343 183 L HA 0.411 4.751 4.340 -0.000 0.000 0.278 183 L C -1.014 175.688 176.870 -0.280 0.000 0.996 183 L CA -0.424 54.332 54.840 -0.140 0.000 0.831 183 L CB 1.385 43.478 42.059 0.057 0.000 1.232 183 L HN 0.521 nan 8.230 nan 0.000 0.413 184 D N 1.674 121.847 120.400 -0.378 0.000 2.857 184 D HA 0.170 4.810 4.640 -0.000 0.000 0.227 184 D C -0.080 176.127 176.300 -0.156 0.000 1.192 184 D CA -0.217 53.627 54.000 -0.259 0.000 0.857 184 D CB 3.006 43.561 40.800 -0.409 0.000 1.645 184 D HN 0.581 nan 8.370 nan 0.000 0.482 185 D N 1.354 121.670 120.400 -0.141 0.000 2.328 185 D HA -0.010 4.630 4.640 -0.000 0.000 0.226 185 D C 1.093 177.149 176.300 -0.406 0.000 1.066 185 D CA 0.129 53.969 54.000 -0.266 0.000 0.861 185 D CB -0.090 40.517 40.800 -0.323 0.000 0.912 185 D HN 0.200 nan 8.370 nan 0.000 0.521 186 F N 0.344 120.252 119.950 -0.069 0.000 2.653 186 F HA 0.312 4.839 4.527 -0.000 0.000 0.288 186 F C 2.405 178.167 175.800 -0.063 0.000 1.121 186 F CA 0.581 58.554 58.000 -0.045 0.000 1.384 186 F CB 0.325 39.326 39.000 0.002 0.000 1.115 186 F HN 0.181 nan 8.300 nan 0.000 0.599 187 G N 0.293 109.140 108.800 0.079 0.000 2.562 187 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.241 187 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.241 187 G C 1.468 176.403 174.900 0.059 0.000 1.120 187 G CA 1.118 46.230 45.100 0.020 0.000 0.673 187 G HN 0.481 nan 8.290 nan 0.000 0.519 188 S N -0.058 115.706 115.700 0.106 0.000 2.496 188 S HA 0.125 4.595 4.470 -0.000 0.000 0.224 188 S C 1.557 176.208 174.600 0.085 0.000 0.996 188 S CA 1.302 59.548 58.200 0.077 0.000 0.927 188 S CB 0.002 63.243 63.200 0.068 0.000 0.774 188 S HN 0.390 nan 8.310 nan 0.000 0.524 189 N N 0.634 119.410 118.700 0.127 0.000 2.322 189 N HA 0.380 5.120 4.740 -0.000 0.000 0.194 189 N C 0.800 176.447 175.510 0.229 0.000 1.126 189 N CA 0.181 53.341 53.050 0.183 0.000 0.845 189 N CB 0.220 38.819 38.487 0.186 0.000 0.976 189 N HN 0.393 nan 8.380 nan 0.000 0.475 190 L N -0.522 120.774 121.223 0.121 0.000 2.609 190 L HA 0.205 4.545 4.340 -0.000 0.000 0.230 190 L C 1.958 178.904 176.870 0.126 0.000 1.064 190 L CA 0.186 55.073 54.840 0.079 0.000 0.873 190 L CB 0.263 42.281 42.059 -0.069 0.000 1.139 190 L HN -0.129 nan 8.230 nan 0.000 0.490 191 K N 0.685 121.136 120.400 0.085 0.000 2.032 191 K HA -0.238 4.082 4.320 -0.000 0.000 0.218 191 K C -0.689 175.945 176.600 0.057 0.000 1.054 191 K CA 2.395 58.715 56.287 0.055 0.000 0.941 191 K CB -0.986 31.532 32.500 0.029 0.000 0.720 191 K HN 0.150 nan 8.250 nan 0.000 0.449 192 P HA -0.247 nan 4.420 nan 0.000 0.216 192 P C 0.870 178.213 177.300 0.072 0.000 1.157 192 P CA 2.124 65.186 63.100 -0.063 0.000 0.880 192 P CB -0.066 31.386 31.700 -0.413 0.000 0.791 193 A N -0.671 122.320 122.820 0.285 0.000 1.902 193 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 193 A C 2.407 180.104 177.584 0.189 0.000 1.181 193 A CA 2.036 54.279 52.037 0.344 0.000 0.623 193 A CB -1.098 18.213 19.000 0.518 0.000 0.818 193 A HN 0.023 nan 8.150 nan 0.000 0.443 194 R N -0.181 120.402 120.500 0.137 0.000 2.148 194 R HA -0.056 4.284 4.340 -0.000 0.000 0.223 194 R C 1.205 177.544 176.300 0.066 0.000 1.088 194 R CA 1.429 57.582 56.100 0.088 0.000 0.985 194 R CB -0.370 29.968 30.300 0.064 0.000 0.880 194 R HN 0.431 nan 8.270 nan 0.000 0.451 195 D N -0.352 120.083 120.400 0.059 0.000 2.178 195 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 195 D C 1.499 177.819 176.300 0.034 0.000 0.980 195 D CA 1.177 55.197 54.000 0.033 0.000 0.842 195 D CB 0.028 40.835 40.800 0.012 0.000 0.948 195 D HN 0.256 nan 8.370 nan 0.000 0.472 196 M N -1.270 118.363 119.600 0.054 0.000 2.506 196 M HA 0.103 4.583 4.480 -0.000 0.000 0.260 196 M C 0.780 177.112 176.300 0.052 0.000 1.104 196 M CA 0.851 56.184 55.300 0.055 0.000 1.112 196 M CB 0.650 33.302 32.600 0.086 0.000 1.401 196 M HN 0.160 nan 8.290 nan 0.000 0.473 197 G N 1.121 109.955 108.800 0.057 0.000 2.143 197 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.175 197 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.175 197 G C -0.105 174.829 174.900 0.055 0.000 1.004 197 G CA 0.157 45.286 45.100 0.047 0.000 0.671 197 G HN 0.491 nan 8.290 nan 0.000 0.512 198 M N -0.345 119.301 119.600 0.078 0.000 2.578 198 M HA 0.811 5.291 4.480 -0.000 0.000 0.321 198 M C 0.291 176.647 176.300 0.094 0.000 1.182 198 M CA -1.337 54.014 55.300 0.085 0.000 0.965 198 M CB 2.097 34.758 32.600 0.102 0.000 1.694 198 M HN -0.060 nan 8.290 nan 0.000 0.461 199 V N 1.656 121.621 119.914 0.085 0.000 2.446 199 V HA 0.251 4.371 4.120 -0.000 0.000 0.276 199 V C 0.539 176.688 176.094 0.092 0.000 1.030 199 V CA -0.367 61.980 62.300 0.080 0.000 1.033 199 V CB -0.181 31.686 31.823 0.072 0.000 0.993 199 V HN 1.002 nan 8.190 nan 0.000 0.477 200 T N 3.895 118.489 114.554 0.068 0.000 2.907 200 T HA 0.803 5.153 4.350 -0.000 0.000 0.284 200 T C -0.596 174.105 174.700 0.001 0.000 1.004 200 T CA -0.622 61.496 62.100 0.030 0.000 1.063 200 T CB 1.534 70.413 68.868 0.018 0.000 0.992 200 T HN 0.394 nan 8.240 nan 0.000 0.483 201 I N 2.245 122.788 120.570 -0.045 0.000 2.607 201 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 201 I C -1.001 175.072 176.117 -0.073 0.000 1.129 201 I CA -1.043 60.241 61.300 -0.027 0.000 1.042 201 I CB 2.441 40.449 38.000 0.013 0.000 1.242 201 I HN 0.529 nan 8.210 nan 0.000 0.421 202 L N 6.639 127.830 121.223 -0.052 0.000 2.264 202 L HA 0.371 4.711 4.340 -0.000 0.000 0.287 202 L C -0.365 176.474 176.870 -0.051 0.000 1.039 202 L CA -0.647 54.143 54.840 -0.084 0.000 0.829 202 L CB 1.384 43.384 42.059 -0.099 0.000 1.211 202 L HN 0.314 nan 8.230 nan 0.000 0.427 203 V N 4.676 124.555 119.914 -0.057 0.000 2.403 203 V HA -0.011 4.109 4.120 -0.000 0.000 0.265 203 V C 0.641 176.738 176.094 0.006 0.000 1.034 203 V CA 0.033 62.328 62.300 -0.008 0.000 1.036 203 V CB 0.267 32.084 31.823 -0.010 0.000 1.032 203 V HN 0.716 nan 8.190 nan 0.000 0.478 204 H N 4.274 123.327 119.070 -0.029 0.000 2.430 204 H HA 0.139 4.695 4.556 -0.000 0.000 0.297 204 H C 1.458 176.770 175.328 -0.027 0.000 1.016 204 H CA 1.070 57.098 56.048 -0.033 0.000 1.294 204 H CB 0.443 30.194 29.762 -0.018 0.000 1.465 204 H HN 0.782 nan 8.280 nan 0.000 0.547 205 N N -0.143 118.621 118.700 0.108 0.000 2.200 205 N HA -0.059 4.681 4.740 -0.000 0.000 0.260 205 N C 0.069 175.595 175.510 0.027 0.000 1.279 205 N CA 0.926 53.995 53.050 0.030 0.000 0.929 205 N CB -0.135 38.368 38.487 0.026 0.000 1.007 205 N HN 0.024 nan 8.380 nan 0.000 0.439 206 T N -2.552 112.012 114.554 0.016 0.000 3.266 206 T HA 0.631 4.981 4.350 -0.000 0.000 0.278 206 T C 0.558 175.265 174.700 0.011 0.000 1.010 206 T CA -0.031 62.074 62.100 0.008 0.000 0.909 206 T CB 0.319 69.188 68.868 0.001 0.000 1.122 206 T HN 0.789 nan 8.240 nan 0.000 0.536 207 A N 0.810 123.645 122.820 0.025 0.000 3.441 207 A HA -0.178 4.142 4.320 -0.000 0.000 0.197 207 A C 1.877 179.492 177.584 0.051 0.000 0.732 207 A CA 0.742 52.798 52.037 0.032 0.000 2.245 207 A CB -2.082 16.924 19.000 0.009 0.000 0.510 207 A HN 0.546 nan 8.150 nan 0.000 0.589 208 S N 1.371 117.097 115.700 0.044 0.000 2.489 208 S HA -0.187 4.283 4.470 -0.000 0.000 0.261 208 S C 2.080 176.720 174.600 0.068 0.000 1.059 208 S CA 2.583 60.815 58.200 0.052 0.000 1.372 208 S CB -1.276 61.945 63.200 0.035 0.000 1.253 208 S HN 2.178 nan 8.310 nan 0.000 0.432 209 A N 1.445 124.300 122.820 0.058 0.000 2.070 209 A HA 0.075 4.395 4.320 -0.000 0.000 0.220 209 A C 2.035 179.666 177.584 0.078 0.000 1.159 209 A CA 1.150 53.224 52.037 0.063 0.000 0.656 209 A CB -0.705 18.328 19.000 0.054 0.000 0.800 209 A HN 0.474 nan 8.150 nan 0.000 0.453 210 L N 1.076 122.348 121.223 0.082 0.000 1.937 210 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 210 L C 2.736 179.683 176.870 0.128 0.000 1.077 210 L CA 2.718 57.612 54.840 0.090 0.000 0.758 210 L CB -1.129 40.977 42.059 0.079 0.000 0.888 210 L HN 0.672 nan 8.230 nan 0.000 0.433 211 R N -0.150 120.437 120.500 0.145 0.000 2.211 211 R HA -0.219 4.121 4.340 -0.000 0.000 0.240 211 R C 1.872 178.369 176.300 0.327 0.000 1.144 211 R CA 1.723 57.972 56.100 0.249 0.000 0.992 211 R CB -0.535 29.876 30.300 0.185 0.000 0.869 211 R HN 0.586 nan 8.270 nan 0.000 0.462 212 E N 0.823 121.133 120.200 0.182 0.000 2.005 212 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 212 E C 1.888 178.543 176.600 0.093 0.000 0.987 212 E CA 0.708 57.178 56.400 0.116 0.000 0.814 212 E CB -0.005 29.739 29.700 0.074 0.000 0.772 212 E HN 0.273 nan 8.360 nan 0.000 0.453 213 L N 1.502 122.776 121.223 0.086 0.000 2.353 213 L HA -0.130 4.210 4.340 -0.000 0.000 0.220 213 L C 2.048 178.975 176.870 0.095 0.000 1.133 213 L CA 1.477 56.359 54.840 0.071 0.000 0.798 213 L CB -0.615 41.481 42.059 0.062 0.000 0.922 213 L HN 0.306 nan 8.230 nan 0.000 0.445 214 E N 0.441 120.729 120.200 0.147 0.000 2.216 214 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 214 E C 1.998 178.746 176.600 0.247 0.000 0.988 214 E CA 0.823 57.353 56.400 0.216 0.000 0.834 214 E CB 0.283 30.153 29.700 0.283 0.000 0.772 214 E HN 0.622 nan 8.360 nan 0.000 0.479 215 K N -0.064 120.423 120.400 0.145 0.000 2.211 215 K HA 0.038 4.358 4.320 -0.000 0.000 0.201 215 K C 1.923 178.468 176.600 -0.090 0.000 1.052 215 K CA 0.559 56.755 56.287 -0.152 0.000 0.973 215 K CB -0.226 32.053 32.500 -0.369 0.000 0.766 215 K HN -0.126 nan 8.250 nan 0.000 0.466 216 V N 2.770 122.676 119.914 -0.014 0.000 2.867 216 V HA -0.185 3.935 4.120 -0.000 0.000 0.260 216 V C 1.922 178.027 176.094 0.018 0.000 1.099 216 V CA 2.203 64.501 62.300 -0.003 0.000 1.122 216 V CB -0.453 31.380 31.823 0.016 0.000 0.708 216 V HN 0.715 nan 8.190 nan 0.000 0.490 217 T N -3.378 111.203 114.554 0.045 0.000 3.053 217 T HA 0.219 4.569 4.350 -0.000 0.000 0.236 217 T C 1.710 176.466 174.700 0.094 0.000 0.996 217 T CA 0.676 62.822 62.100 0.077 0.000 1.185 217 T CB -0.492 68.437 68.868 0.103 0.000 0.892 217 T HN 0.387 nan 8.240 nan 0.000 0.432 218 G N 2.031 110.889 108.800 0.096 0.000 2.622 218 G HA2 0.354 4.314 3.960 -0.000 0.000 0.206 218 G HA3 0.354 4.314 3.960 -0.000 0.000 0.206 218 G C 0.834 175.709 174.900 -0.042 0.000 1.458 218 G CA 1.806 46.944 45.100 0.063 0.000 0.919 218 G HN 0.763 nan 8.290 nan 0.000 0.508 219 T N -3.110 111.325 114.554 -0.198 0.000 2.630 219 T HA 0.504 4.854 4.350 -0.000 0.000 0.225 219 T C -1.016 173.364 174.700 -0.533 0.000 0.897 219 T CA -0.498 61.444 62.100 -0.264 0.000 1.316 219 T CB 1.370 70.126 68.868 -0.186 0.000 1.743 219 T HN 0.225 nan 8.240 nan 0.000 0.436 220 Q N 0.652 120.157 119.800 -0.491 0.000 2.339 220 Q HA 0.654 4.994 4.340 -0.000 0.000 0.268 220 Q C -1.790 173.943 176.000 -0.444 0.000 1.027 220 Q CA -0.545 54.936 55.803 -0.537 0.000 0.759 220 Q CB 0.717 29.306 28.738 -0.248 0.000 1.244 220 Q HN 0.483 nan 8.270 nan 0.000 0.464 221 F N 2.804 122.735 119.950 -0.032 0.000 2.403 221 F HA 0.683 5.210 4.527 -0.000 0.000 0.326 221 F C -1.580 174.205 175.800 -0.025 0.000 1.081 221 F CA -2.266 55.712 58.000 -0.037 0.000 1.041 221 F CB -0.209 38.767 39.000 -0.040 0.000 1.234 221 F HN 0.444 nan 8.300 nan 0.000 0.503 222 P HA 0.380 nan 4.420 nan 0.000 0.341 222 P C -0.590 176.757 177.300 0.079 0.000 1.332 222 P CA -0.071 63.073 63.100 0.073 0.000 0.769 222 P CB 0.884 32.611 31.700 0.044 0.000 1.726 223 E N -1.940 118.287 120.200 0.045 0.000 2.505 223 E HA 0.378 4.728 4.350 -0.000 0.000 0.212 223 E C 0.006 176.618 176.600 0.020 0.000 0.825 223 E CA -0.082 56.340 56.400 0.037 0.000 1.333 223 E CB 0.123 29.841 29.700 0.031 0.000 1.319 223 E HN 0.328 nan 8.360 nan 0.000 0.658 224 A N 2.590 125.419 122.820 0.015 0.000 2.664 224 A HA 0.553 4.873 4.320 -0.000 0.000 0.338 224 A C -2.461 175.124 177.584 0.003 0.000 1.280 224 A CA -1.180 50.860 52.037 0.006 0.000 0.809 224 A CB -0.172 18.830 19.000 0.004 0.000 1.114 224 A HN -0.021 nan 8.150 nan 0.000 0.479 225 P HA 0.666 nan 4.420 nan 0.000 0.283 225 P C -0.554 176.741 177.300 -0.010 0.000 1.278 225 P CA -0.734 62.365 63.100 -0.001 0.000 0.834 225 P CB 0.826 32.524 31.700 -0.003 0.000 1.150 226 L N 1.795 123.014 121.223 -0.006 0.000 2.453 226 L HA 0.380 4.719 4.340 -0.000 0.000 0.261 226 L C -1.895 174.996 176.870 0.034 0.000 1.179 226 L CA -1.468 53.364 54.840 -0.014 0.000 0.813 226 L CB -0.564 41.486 42.059 -0.016 0.000 1.110 226 L HN 0.372 nan 8.230 nan 0.000 0.466 227 P HA 0.098 nan 4.420 nan 0.000 0.276 227 P C -0.711 176.697 177.300 0.179 0.000 1.230 227 P CA -0.425 62.733 63.100 0.098 0.000 0.776 227 P CB 0.908 32.672 31.700 0.107 0.000 0.888 228 V N 1.683 121.639 119.914 0.071 0.000 2.644 228 V HA 0.156 4.276 4.120 -0.000 0.000 0.305 228 V C -2.327 173.779 176.094 0.019 0.000 1.053 228 V CA -1.069 61.244 62.300 0.022 0.000 1.186 228 V CB -0.736 31.044 31.823 -0.072 0.000 0.895 228 V HN 0.463 nan 8.190 nan 0.000 0.490 229 P HA 0.399 nan 4.420 nan 0.000 0.292 229 P C 0.041 177.267 177.300 -0.123 0.000 1.287 229 P CA -0.592 62.316 63.100 -0.320 0.000 0.800 229 P CB 1.083 32.416 31.700 -0.611 0.000 0.945 230 C N 2.752 122.014 119.300 -0.064 0.000 2.553 230 C HA 0.720 5.180 4.460 -0.000 0.000 0.345 230 C C -0.051 174.974 174.990 0.060 0.000 1.369 230 C CA -0.393 58.640 59.018 0.026 0.000 2.447 230 C CB -0.580 27.201 27.740 0.068 0.000 2.358 230 C HN 0.843 nan 8.230 nan 0.000 0.676 231 N N 0.295 119.036 118.700 0.068 0.000 5.094 231 N HA 0.373 5.113 4.740 -0.000 0.000 0.159 231 N C -3.159 172.343 175.510 -0.014 0.000 1.016 231 N CA -0.782 52.294 53.050 0.043 0.000 1.158 231 N CB 1.523 40.005 38.487 -0.008 0.000 1.540 231 N HN 0.550 nan 8.380 nan 0.000 0.969 232 P HA 0.106 nan 4.420 nan 0.000 0.534 232 P C -0.948 176.453 177.300 0.168 0.000 0.991 232 P CA 0.033 63.169 63.100 0.060 0.000 2.480 232 P CB 0.117 31.542 31.700 -0.459 0.000 1.182 233 N N -1.561 117.202 118.700 0.105 0.000 1.921 233 N HA 0.038 4.778 4.740 -0.000 0.000 0.237 233 N C -0.160 175.381 175.510 0.052 0.000 1.352 233 N CA -0.054 53.074 53.050 0.130 0.000 0.805 233 N CB -0.303 38.215 38.487 0.053 0.000 1.159 233 N HN -0.302 nan 8.380 nan 0.000 0.473 234 D N 1.891 122.293 120.400 0.004 0.000 2.344 234 D HA 0.149 4.789 4.640 -0.000 0.000 0.242 234 D C 0.262 176.522 176.300 -0.066 0.000 1.159 234 D CA 0.232 54.215 54.000 -0.029 0.000 0.859 234 D CB 0.474 41.254 40.800 -0.033 0.000 0.925 234 D HN 0.366 nan 8.370 nan 0.000 0.510 235 V N -3.618 116.229 119.914 -0.111 0.000 3.130 235 V HA 0.599 4.719 4.120 -0.000 0.000 0.310 235 V C -0.045 175.854 176.094 -0.324 0.000 1.158 235 V CA -1.207 60.949 62.300 -0.240 0.000 1.029 235 V CB 1.827 33.421 31.823 -0.381 0.000 1.057 235 V HN -0.103 nan 8.190 nan 0.000 0.436 236 S N 1.044 116.529 115.700 -0.358 0.000 2.513 236 S HA 0.456 4.926 4.470 -0.000 0.000 0.276 236 S C -0.463 173.801 174.600 -0.559 0.000 1.254 236 S CA -0.392 57.621 58.200 -0.313 0.000 1.053 236 S CB -0.083 62.989 63.200 -0.214 0.000 0.958 236 S HN 0.894 nan 8.310 nan 0.000 0.491 237 H N 2.906 121.821 119.070 -0.259 0.000 2.511 237 H HA 0.453 5.009 4.556 -0.000 0.000 0.328 237 H C 0.665 175.711 175.328 -0.470 0.000 1.044 237 H CA -0.387 55.437 56.048 -0.373 0.000 1.212 237 H CB 1.346 31.085 29.762 -0.038 0.000 1.428 237 H HN 0.841 nan 8.280 nan 0.000 0.483 238 G N 1.771 109.920 108.800 -1.084 0.000 2.461 238 G HA2 0.456 4.416 3.960 -0.000 0.000 0.329 238 G HA3 0.456 4.416 3.960 -0.000 0.000 0.329 238 G C -1.539 172.929 174.900 -0.721 0.000 1.170 238 G CA -0.335 44.115 45.100 -1.084 0.000 0.935 238 G HN 0.463 nan 8.290 nan 0.000 0.492 239 Y N -0.988 119.285 120.300 -0.045 0.000 2.358 239 Y HA 0.419 4.969 4.550 -0.000 0.000 0.324 239 Y C -0.370 175.634 175.900 0.173 0.000 1.123 239 Y CA -0.805 57.377 58.100 0.137 0.000 1.067 239 Y CB 2.314 40.820 38.460 0.076 0.000 1.230 239 Y HN 0.429 nan 8.280 nan 0.000 0.429 240 V N 1.635 121.764 119.914 0.358 0.000 2.604 240 V HA 0.604 4.724 4.120 -0.000 0.000 0.305 240 V C -0.347 175.874 176.094 0.213 0.000 1.043 240 V CA -0.857 61.579 62.300 0.226 0.000 0.888 240 V CB 2.133 34.042 31.823 0.143 0.000 0.995 240 V HN 0.775 nan 8.190 nan 0.000 0.429 241 T N 2.969 117.604 114.554 0.135 0.000 2.874 241 T HA 0.262 4.612 4.350 -0.000 0.000 0.321 241 T C 1.007 175.758 174.700 0.084 0.000 1.075 241 T CA -0.117 62.049 62.100 0.110 0.000 0.966 241 T CB 1.185 70.100 68.868 0.077 0.000 1.001 241 T HN 0.736 nan 8.240 nan 0.000 0.476 242 V N 1.375 121.348 119.914 0.097 0.000 2.591 242 V HA 0.362 4.482 4.120 -0.000 0.000 0.249 242 V C 0.786 176.900 176.094 0.033 0.000 1.053 242 V CA 0.969 63.312 62.300 0.072 0.000 1.068 242 V CB -0.286 31.592 31.823 0.091 0.000 0.689 242 V HN 0.570 nan 8.190 nan 0.000 0.462 243 K N -0.892 119.524 120.400 0.027 0.000 2.536 243 K HA 0.425 4.745 4.320 -0.000 0.000 0.269 243 K C -2.351 174.256 176.600 0.012 0.000 0.965 243 K CA -1.839 54.453 56.287 0.008 0.000 0.860 243 K CB 2.350 34.844 32.500 -0.010 0.000 1.423 243 K HN -0.187 nan 8.250 nan 0.000 0.438 244 P HA -0.263 nan 4.420 nan 0.000 0.211 244 P C 0.921 178.229 177.300 0.012 0.000 0.948 244 P CA 2.176 65.281 63.100 0.008 0.000 1.010 244 P CB -0.014 31.687 31.700 0.002 0.000 0.737 245 G N -1.813 106.992 108.800 0.008 0.000 2.534 245 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.217 245 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.217 245 G C 0.525 175.439 174.900 0.022 0.000 1.128 245 G CA 0.168 45.276 45.100 0.013 0.000 0.784 245 G HN 0.227 nan 8.290 nan 0.000 0.542 246 I N 0.541 121.123 120.570 0.021 0.000 2.385 246 I HA 0.444 4.614 4.170 -0.000 0.000 0.294 246 I C 0.204 176.363 176.117 0.070 0.000 0.988 246 I CA -0.680 60.639 61.300 0.032 0.000 1.265 246 I CB 1.645 39.643 38.000 -0.002 0.000 1.388 246 I HN -0.056 nan 8.210 nan 0.000 0.480 247 R N 6.635 127.197 120.500 0.104 0.000 2.548 247 R HA 0.423 4.763 4.340 -0.000 0.000 0.280 247 R C -2.360 174.066 176.300 0.209 0.000 1.061 247 R CA -0.672 55.526 56.100 0.163 0.000 0.915 247 R CB 1.440 31.843 30.300 0.170 0.000 1.210 247 R HN 0.408 nan 8.270 nan 0.000 0.442 248 L N 4.318 125.701 121.223 0.267 0.000 2.334 248 L HA 0.455 4.794 4.340 -0.000 0.000 0.277 248 L C 0.486 177.570 176.870 0.357 0.000 1.075 248 L CA -0.406 54.605 54.840 0.285 0.000 0.804 248 L CB 0.972 43.179 42.059 0.247 0.000 1.174 248 L HN 0.676 nan 8.230 nan 0.000 0.438 249 H N 3.517 122.675 119.070 0.147 0.000 2.573 249 H HA 0.600 5.156 4.556 -0.000 0.000 0.351 249 H C -1.402 173.975 175.328 0.081 0.000 1.163 249 H CA -0.453 55.532 56.048 -0.105 0.000 1.205 249 H CB 2.026 31.635 29.762 -0.256 0.000 1.605 249 H HN 0.459 nan 8.280 nan 0.000 0.525 250 F N 1.164 120.522 119.950 -0.988 0.000 2.831 250 F HA 0.593 5.120 4.527 -0.000 0.000 0.318 250 F C -2.257 172.976 175.800 -0.945 0.000 1.174 250 F CA -0.934 56.585 58.000 -0.800 0.000 0.918 250 F CB 0.616 39.474 39.000 -0.236 0.000 1.364 250 F HN 0.238 nan 8.300 nan 0.000 0.475 251 V N 0.597 120.184 119.914 -0.545 0.000 2.769 251 V HA 0.594 4.714 4.120 -0.000 0.000 0.312 251 V C -1.178 174.807 176.094 -0.182 0.000 1.061 251 V CA -0.611 61.258 62.300 -0.718 0.000 0.931 251 V CB 1.853 32.986 31.823 -1.151 0.000 1.010 251 V HN 0.854 nan 8.190 nan 0.000 0.433 252 E N 3.142 123.204 120.200 -0.230 0.000 2.272 252 E HA 0.759 5.109 4.350 -0.000 0.000 0.269 252 E C -1.264 175.276 176.600 -0.100 0.000 0.877 252 E CA -0.638 55.735 56.400 -0.045 0.000 0.755 252 E CB 2.103 31.839 29.700 0.060 0.000 1.192 252 E HN 0.692 nan 8.360 nan 0.000 0.422 253 M N 3.722 123.288 119.600 -0.057 0.000 2.365 253 M HA 0.569 5.048 4.480 -0.000 0.000 0.288 253 M C -0.806 175.476 176.300 -0.029 0.000 1.152 253 M CA 0.362 55.629 55.300 -0.054 0.000 0.948 253 M CB 1.854 34.422 32.600 -0.055 0.000 1.729 253 M HN 0.689 nan 8.290 nan 0.000 0.487 254 G N 1.828 110.609 108.800 -0.032 0.000 2.756 254 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.678 254 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.678 254 G C -1.327 173.552 174.900 -0.036 0.000 1.349 254 G CA -0.236 44.848 45.100 -0.027 0.000 0.847 254 G HN 0.952 nan 8.290 nan 0.000 0.548 255 S N -0.254 115.415 115.700 -0.051 0.000 2.502 255 S HA 0.734 5.204 4.470 -0.000 0.000 0.304 255 S C 0.927 175.473 174.600 -0.090 0.000 1.097 255 S CA 1.064 59.225 58.200 -0.064 0.000 1.045 255 S CB 0.834 63.992 63.200 -0.069 0.000 1.019 255 S HN 2.502 nan 8.310 nan 0.000 0.481 256 G N 5.425 114.181 108.800 -0.074 0.000 3.048 256 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.255 256 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.255 256 G C -2.575 172.240 174.900 -0.141 0.000 0.427 256 G CA -0.495 44.558 45.100 -0.079 0.000 1.179 256 G HN 0.547 nan 8.290 nan 0.000 0.242 257 P HA 0.493 nan 4.420 nan 0.000 0.279 257 P C 0.008 177.352 177.300 0.074 0.000 1.252 257 P CA 0.017 63.119 63.100 0.004 0.000 0.811 257 P CB 1.071 32.789 31.700 0.029 0.000 1.035 258 A N 2.331 125.150 122.820 -0.002 0.000 2.477 258 A HA 0.397 4.717 4.320 -0.000 0.000 0.246 258 A C -0.009 177.518 177.584 -0.094 0.000 1.078 258 A CA 0.122 52.126 52.037 -0.055 0.000 0.770 258 A CB -0.837 18.096 19.000 -0.112 0.000 1.011 258 A HN 0.613 nan 8.150 nan 0.000 0.494 259 L N 1.991 123.129 121.223 -0.142 0.000 2.504 259 L HA 0.555 4.895 4.340 -0.000 0.000 0.265 259 L C -1.093 175.601 176.870 -0.294 0.000 0.975 259 L CA -0.668 54.032 54.840 -0.232 0.000 0.864 259 L CB 0.688 42.610 42.059 -0.229 0.000 1.212 259 L HN 0.451 nan 8.230 nan 0.000 0.416 260 C N 5.080 124.133 119.300 -0.411 0.000 2.349 260 C HA 0.531 4.991 4.460 -0.000 0.000 0.348 260 C C 0.630 175.419 174.990 -0.335 0.000 1.223 260 C CA -0.792 57.998 59.018 -0.379 0.000 1.746 260 C CB -0.582 26.886 27.740 -0.454 0.000 2.360 260 C HN 0.741 nan 8.230 nan 0.000 0.533 261 L N 3.360 124.311 121.223 -0.453 0.000 2.283 261 L HA 0.303 4.643 4.340 -0.000 0.000 0.287 261 L C -0.127 176.565 176.870 -0.298 0.000 1.073 261 L CA 0.114 54.462 54.840 -0.820 0.000 0.822 261 L CB -0.122 40.896 42.059 -1.734 0.000 1.186 261 L HN 0.714 nan 8.230 nan 0.000 0.436 262 C N 2.410 121.802 119.300 0.152 0.000 2.281 262 C HA 0.452 4.912 4.460 -0.000 0.000 0.325 262 C C 0.478 175.920 174.990 0.753 0.000 1.282 262 C CA -0.979 58.305 59.018 0.444 0.000 1.640 262 C CB -0.267 27.654 27.740 0.302 0.000 2.288 262 C HN 0.838 nan 8.230 nan 0.000 0.507 263 H N 0.743 120.122 119.070 0.514 0.000 2.505 263 H HA 0.756 5.312 4.556 -0.000 0.000 0.358 263 H C 0.410 175.757 175.328 0.032 0.000 1.304 263 H CA -0.049 56.094 56.048 0.159 0.000 1.393 263 H CB 0.691 30.438 29.762 -0.025 0.000 1.591 263 H HN 0.703 nan 8.280 nan 0.000 0.595 264 G N -0.695 108.043 108.800 -0.103 0.000 2.788 264 G HA2 0.343 4.303 3.960 -0.000 0.000 0.293 264 G HA3 0.343 4.303 3.960 -0.000 0.000 0.293 264 G C -1.578 173.407 174.900 0.142 0.000 1.305 264 G CA -1.048 44.058 45.100 0.011 0.000 1.005 264 G HN 0.603 nan 8.290 nan 0.000 0.496 265 F N 1.924 122.033 119.950 0.264 0.000 2.495 265 F HA 0.518 5.045 4.527 -0.000 0.000 0.365 265 F C -1.825 174.366 175.800 0.651 0.000 1.090 265 F CA -2.365 55.937 58.000 0.503 0.000 1.235 265 F CB 1.655 41.013 39.000 0.597 0.000 1.119 265 F HN 0.082 nan 8.300 nan 0.000 0.562 266 P HA 0.290 nan 4.420 nan 0.000 0.206 266 P C -1.537 175.968 177.300 0.342 0.000 1.849 266 P CA -0.200 62.620 63.100 -0.467 0.000 1.229 266 P CB 0.815 31.703 31.700 -1.353 0.000 1.673 267 E N 0.734 121.260 120.200 0.544 0.000 2.698 267 E HA 0.733 5.083 4.350 -0.000 0.000 0.185 267 E C -0.153 176.706 176.600 0.432 0.000 0.702 267 E CA -0.915 55.845 56.400 0.600 0.000 1.104 267 E CB 0.681 30.599 29.700 0.363 0.000 1.831 267 E HN 0.309 nan 8.360 nan 0.000 0.370 268 S N -0.867 114.837 115.700 0.006 0.000 2.661 268 S HA 0.073 4.543 4.470 -0.000 0.000 0.268 268 S C -0.265 174.009 174.600 -0.544 0.000 1.162 268 S CA -0.591 57.252 58.200 -0.595 0.000 0.817 268 S CB -0.045 62.936 63.200 -0.365 0.000 1.141 268 S HN 0.870 nan 8.310 nan 0.000 0.477 269 W N 0.733 121.882 121.300 -0.251 0.000 2.374 269 W HA -0.048 4.612 4.660 -0.000 0.000 0.288 269 W C 1.190 177.823 176.519 0.190 0.000 1.218 269 W CA 1.048 58.447 57.345 0.091 0.000 1.245 269 W CB -0.916 28.587 29.460 0.072 0.000 1.126 269 W HN 0.613 nan 8.180 nan 0.000 0.545 270 F N 3.136 122.273 119.950 -1.354 0.000 2.373 270 F HA -0.130 4.396 4.527 -0.000 0.000 0.300 270 F C 2.318 177.751 175.800 -0.612 0.000 1.080 270 F CA 1.394 58.520 58.000 -1.456 0.000 1.417 270 F CB -0.623 37.447 39.000 -1.549 0.000 1.070 270 F HN -0.199 nan 8.300 nan 0.000 0.546 271 S N -0.901 114.505 115.700 -0.490 0.000 2.382 271 S HA -0.219 4.251 4.470 -0.000 0.000 0.228 271 S C 1.188 175.545 174.600 -0.406 0.000 1.027 271 S CA 1.369 59.270 58.200 -0.497 0.000 0.991 271 S CB -0.613 62.280 63.200 -0.512 0.000 0.823 271 S HN 0.630 nan 8.310 nan 0.000 0.469 272 W N 3.116 124.322 121.300 -0.157 0.000 3.377 272 W HA 0.162 4.822 4.660 -0.000 0.000 0.277 272 W C 1.818 178.296 176.519 -0.067 0.000 1.311 272 W CA -0.587 56.727 57.345 -0.052 0.000 1.703 272 W CB -0.406 29.078 29.460 0.040 0.000 1.095 272 W HN 0.306 nan 8.180 nan 0.000 0.715 273 R N -0.515 119.942 120.500 -0.073 0.000 2.185 273 R HA -0.256 4.084 4.340 -0.000 0.000 0.247 273 R C 0.882 177.075 176.300 -0.179 0.000 1.159 273 R CA 1.664 57.638 56.100 -0.211 0.000 0.988 273 R CB -1.191 28.681 30.300 -0.712 0.000 0.871 273 R HN 0.275 nan 8.270 nan 0.000 0.458 274 Y N 1.162 121.445 120.300 -0.029 0.000 2.510 274 Y HA 0.083 4.633 4.550 -0.000 0.000 0.273 274 Y C 2.228 178.161 175.900 0.056 0.000 1.119 274 Y CA 0.354 58.454 58.100 -0.000 0.000 1.286 274 Y CB 0.333 38.772 38.460 -0.033 0.000 1.061 274 Y HN 0.127 nan 8.280 nan 0.000 0.542 275 Q N -0.265 119.688 119.800 0.256 0.000 2.373 275 Q HA 0.056 4.396 4.340 -0.000 0.000 0.210 275 Q C 2.094 178.173 176.000 0.131 0.000 0.913 275 Q CA 0.595 56.521 55.803 0.204 0.000 0.911 275 Q CB -0.384 28.514 28.738 0.266 0.000 1.040 275 Q HN 0.507 nan 8.270 nan 0.000 0.521 276 I N 2.126 122.775 120.570 0.132 0.000 2.091 276 I HA -0.255 3.915 4.170 -0.000 0.000 0.239 276 I C -0.686 175.468 176.117 0.062 0.000 1.061 276 I CA 1.746 63.093 61.300 0.079 0.000 1.317 276 I CB -1.225 36.844 38.000 0.115 0.000 1.031 276 I HN 0.140 nan 8.210 nan 0.000 0.401 277 P HA -0.215 nan 4.420 nan 0.000 0.210 277 P C 1.511 178.852 177.300 0.068 0.000 1.189 277 P CA 2.146 65.282 63.100 0.060 0.000 0.920 277 P CB -0.182 31.559 31.700 0.068 0.000 0.782 278 A N -0.299 122.570 122.820 0.082 0.000 1.954 278 A HA -0.247 4.073 4.320 -0.000 0.000 0.222 278 A C 2.334 179.972 177.584 0.090 0.000 1.199 278 A CA 1.949 54.036 52.037 0.084 0.000 0.657 278 A CB -1.849 17.207 19.000 0.093 0.000 0.823 278 A HN 0.129 nan 8.150 nan 0.000 0.463 279 L N -1.542 119.734 121.223 0.089 0.000 2.093 279 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 279 L C 3.095 180.055 176.870 0.151 0.000 1.085 279 L CA 1.314 56.215 54.840 0.102 0.000 0.755 279 L CB -0.847 41.235 42.059 0.038 0.000 0.904 279 L HN 0.536 nan 8.230 nan 0.000 0.435 280 A N -0.298 122.577 122.820 0.092 0.000 1.841 280 A HA -0.253 4.067 4.320 -0.000 0.000 0.214 280 A C 2.074 179.690 177.584 0.053 0.000 1.195 280 A CA 1.336 53.414 52.037 0.068 0.000 0.611 280 A CB -0.563 18.454 19.000 0.027 0.000 0.835 280 A HN 0.409 nan 8.150 nan 0.000 0.443 281 Q N -0.551 119.277 119.800 0.047 0.000 2.308 281 Q HA -0.074 4.266 4.340 -0.000 0.000 0.209 281 Q C 1.844 177.865 176.000 0.036 0.000 0.985 281 Q CA 1.238 57.059 55.803 0.031 0.000 0.881 281 Q CB -0.383 28.378 28.738 0.039 0.000 0.917 281 Q HN 0.675 nan 8.270 nan 0.000 0.443 282 A N -0.382 122.493 122.820 0.090 0.000 2.259 282 A HA 0.357 4.677 4.320 -0.000 0.000 0.208 282 A C 1.283 178.900 177.584 0.055 0.000 1.201 282 A CA 0.635 52.748 52.037 0.126 0.000 0.824 282 A CB -0.277 18.861 19.000 0.230 0.000 0.838 282 A HN 0.416 nan 8.150 nan 0.000 0.485 283 G N -2.212 106.548 108.800 -0.065 0.000 2.134 283 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.209 283 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.209 283 G C -0.197 174.321 174.900 -0.637 0.000 0.993 283 G CA 0.029 44.923 45.100 -0.343 0.000 0.669 283 G HN 0.338 nan 8.290 nan 0.000 0.519 284 F N -0.782 119.136 119.950 -0.054 0.000 2.593 284 F HA 0.683 5.210 4.527 -0.000 0.000 0.320 284 F C 0.681 176.438 175.800 -0.072 0.000 1.060 284 F CA -1.205 56.754 58.000 -0.069 0.000 0.940 284 F CB 1.519 40.472 39.000 -0.079 0.000 1.268 284 F HN -0.033 nan 8.300 nan 0.000 0.475 285 R N 2.314 122.876 120.500 0.103 0.000 2.391 285 R HA 0.476 4.816 4.340 -0.000 0.000 0.310 285 R C -1.497 174.804 176.300 0.002 0.000 1.174 285 R CA -0.229 55.882 56.100 0.020 0.000 1.118 285 R CB 0.111 30.400 30.300 -0.019 0.000 1.134 285 R HN 0.546 nan 8.270 nan 0.000 0.524 286 V N 6.060 125.971 119.914 -0.005 0.000 2.637 286 V HA 0.060 4.180 4.120 -0.000 0.000 0.296 286 V C 0.442 176.495 176.094 -0.068 0.000 1.046 286 V CA 0.007 62.273 62.300 -0.057 0.000 1.066 286 V CB 1.128 32.921 31.823 -0.051 0.000 0.968 286 V HN 0.655 nan 8.190 nan 0.000 0.483 287 L N 4.683 125.833 121.223 -0.122 0.000 2.594 287 L HA 0.466 4.806 4.340 -0.000 0.000 0.245 287 L C 0.748 177.547 176.870 -0.117 0.000 1.460 287 L CA -0.006 54.773 54.840 -0.103 0.000 0.865 287 L CB 0.995 42.921 42.059 -0.221 0.000 1.131 287 L HN 0.726 nan 8.230 nan 0.000 0.506 288 A N 2.435 125.206 122.820 -0.083 0.000 2.752 288 A HA 0.307 4.627 4.320 -0.000 0.000 0.292 288 A C 0.528 178.168 177.584 0.092 0.000 1.597 288 A CA -0.006 51.999 52.037 -0.052 0.000 1.241 288 A CB -0.983 18.082 19.000 0.109 0.000 1.061 288 A HN 0.531 nan 8.150 nan 0.000 0.576 289 I N 0.959 121.563 120.570 0.056 0.000 2.720 289 I HA 0.104 4.274 4.170 -0.000 0.000 0.287 289 I C 0.019 176.271 176.117 0.225 0.000 1.090 289 I CA -0.372 60.978 61.300 0.083 0.000 1.384 289 I CB 0.624 38.551 38.000 -0.122 0.000 1.420 289 I HN 0.367 nan 8.210 nan 0.000 0.575 290 D N 5.687 126.209 120.400 0.204 0.000 2.359 290 D HA 0.281 4.921 4.640 -0.000 0.000 0.230 290 D C 0.045 176.550 176.300 0.343 0.000 1.118 290 D CA -0.344 53.809 54.000 0.254 0.000 0.844 290 D CB 0.867 41.882 40.800 0.358 0.000 1.059 290 D HN 0.210 nan 8.370 nan 0.000 0.493 291 M N 1.154 121.093 119.600 0.564 0.000 2.240 291 M HA 0.039 4.519 4.480 -0.000 0.000 0.317 291 M C 0.812 177.440 176.300 0.548 0.000 1.087 291 M CA 0.024 55.587 55.300 0.439 0.000 1.176 291 M CB -0.052 32.639 32.600 0.151 0.000 1.439 291 M HN 0.205 nan 8.290 nan 0.000 0.452 292 K N 0.361 121.049 120.400 0.480 0.000 2.550 292 K HA 0.103 4.423 4.320 -0.000 0.000 0.280 292 K C 1.001 177.978 176.600 0.628 0.000 0.987 292 K CA 1.306 57.811 56.287 0.362 0.000 1.048 292 K CB 0.029 32.557 32.500 0.046 0.000 0.879 292 K HN 0.854 nan 8.250 nan 0.000 0.491 293 G N 2.105 111.161 108.800 0.427 0.000 2.199 293 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.254 293 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.254 293 G C -0.647 174.281 174.900 0.046 0.000 0.982 293 G CA 0.414 45.742 45.100 0.381 0.000 0.632 293 G HN 0.552 nan 8.290 nan 0.000 0.529 294 Y N -0.193 120.179 120.300 0.120 0.000 2.549 294 Y HA 0.548 5.098 4.550 -0.000 0.000 0.339 294 Y C 1.669 177.492 175.900 -0.128 0.000 1.053 294 Y CA 0.235 58.284 58.100 -0.084 0.000 1.105 294 Y CB 1.177 39.664 38.460 0.045 0.000 1.258 294 Y HN 0.753 nan 8.280 nan 0.000 0.478 295 G N 1.198 109.893 108.800 -0.175 0.000 2.674 295 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.367 295 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.367 295 G C 0.737 175.588 174.900 -0.082 0.000 1.087 295 G CA 1.439 46.435 45.100 -0.173 0.000 0.898 295 G HN 0.708 nan 8.290 nan 0.000 0.652 296 D N 1.388 121.793 120.400 0.007 0.000 2.368 296 D HA 0.317 4.957 4.640 -0.000 0.000 0.218 296 D C 0.803 177.151 176.300 0.079 0.000 1.112 296 D CA 0.709 54.661 54.000 -0.080 0.000 0.834 296 D CB 0.303 40.783 40.800 -0.533 0.000 0.953 296 D HN 0.330 nan 8.370 nan 0.000 0.505 297 S N -0.555 115.242 115.700 0.161 0.000 2.722 297 S HA 0.360 4.830 4.470 -0.000 0.000 0.292 297 S C 0.303 174.987 174.600 0.140 0.000 1.135 297 S CA -0.733 57.584 58.200 0.195 0.000 1.003 297 S CB 1.896 65.237 63.200 0.234 0.000 1.067 297 S HN -0.122 nan 8.310 nan 0.000 0.546 298 S N 2.017 117.794 115.700 0.128 0.000 2.525 298 S HA 0.162 4.632 4.470 -0.000 0.000 0.285 298 S C 0.371 175.031 174.600 0.101 0.000 1.283 298 S CA -0.318 57.937 58.200 0.091 0.000 1.072 298 S CB 0.430 63.671 63.200 0.068 0.000 0.867 298 S HN 0.670 nan 8.310 nan 0.000 0.492 299 S N 4.667 120.427 115.700 0.100 0.000 2.222 299 S HA 0.339 4.809 4.470 -0.000 0.000 0.173 299 S C -2.191 172.510 174.600 0.168 0.000 1.466 299 S CA -1.680 56.614 58.200 0.156 0.000 1.184 299 S CB -0.342 62.902 63.200 0.072 0.000 1.168 299 S HN 0.435 nan 8.310 nan 0.000 0.475 300 P HA 0.234 nan 4.420 nan 0.000 0.271 300 P C -2.208 175.220 177.300 0.213 0.000 1.244 300 P CA -1.022 62.168 63.100 0.150 0.000 0.793 300 P CB 0.163 31.918 31.700 0.091 0.000 0.984 301 P HA 0.076 nan 4.420 nan 0.000 0.226 301 P C -0.118 177.236 177.300 0.091 0.000 1.160 301 P CA 0.720 63.874 63.100 0.089 0.000 0.837 301 P CB 0.162 31.893 31.700 0.051 0.000 0.860 302 E N 0.132 120.396 120.200 0.107 0.000 2.502 302 E HA -0.037 4.313 4.350 -0.000 0.000 0.261 302 E C 1.460 178.139 176.600 0.132 0.000 0.974 302 E CA 0.169 56.622 56.400 0.088 0.000 0.936 302 E CB 0.100 29.838 29.700 0.063 0.000 0.926 302 E HN 0.024 nan 8.360 nan 0.000 0.459 303 I N 2.137 122.746 120.570 0.065 0.000 2.233 303 I HA -0.179 3.991 4.170 -0.000 0.000 0.243 303 I C 1.450 177.618 176.117 0.085 0.000 1.093 303 I CA 1.082 62.411 61.300 0.047 0.000 1.380 303 I CB -0.836 37.169 38.000 0.008 0.000 1.067 303 I HN 0.513 nan 8.210 nan 0.000 0.413 304 E N 0.941 121.166 120.200 0.042 0.000 2.273 304 E HA -0.254 4.096 4.350 -0.000 0.000 0.198 304 E C 1.857 178.440 176.600 -0.028 0.000 1.002 304 E CA 0.790 57.189 56.400 -0.002 0.000 0.828 304 E CB -0.332 29.360 29.700 -0.013 0.000 0.747 304 E HN 0.360 nan 8.360 nan 0.000 0.491 305 E N -0.725 119.496 120.200 0.035 0.000 2.338 305 E HA -0.125 4.225 4.350 -0.000 0.000 0.197 305 E C 0.231 176.635 176.600 -0.326 0.000 1.007 305 E CA 0.767 57.110 56.400 -0.096 0.000 0.849 305 E CB 0.025 29.706 29.700 -0.031 0.000 0.774 305 E HN 0.413 nan 8.360 nan 0.000 0.506 306 Y N -0.877 119.261 120.300 -0.271 0.000 2.584 306 Y HA 0.499 5.049 4.550 -0.000 0.000 0.254 306 Y C 0.384 175.954 175.900 -0.551 0.000 1.177 306 Y CA -0.306 57.502 58.100 -0.486 0.000 1.216 306 Y CB -0.295 37.838 38.460 -0.546 0.000 1.172 306 Y HN -0.055 nan 8.280 nan 0.000 0.529 307 A N 0.564 123.219 122.820 -0.275 0.000 2.540 307 A HA -0.001 4.319 4.320 -0.000 0.000 0.239 307 A C 1.660 178.991 177.584 -0.420 0.000 1.061 307 A CA -0.099 51.766 52.037 -0.286 0.000 0.758 307 A CB 0.212 19.055 19.000 -0.263 0.000 0.991 307 A HN 0.550 nan 8.150 nan 0.000 0.502 308 M N 1.527 120.913 119.600 -0.356 0.000 2.213 308 M HA -0.147 4.333 4.480 -0.000 0.000 0.263 308 M C 1.804 177.702 176.300 -0.670 0.000 1.062 308 M CA 2.361 57.455 55.300 -0.343 0.000 1.105 308 M CB -0.386 32.223 32.600 0.014 0.000 1.385 308 M HN 0.966 nan 8.290 nan 0.000 0.417 309 E N -0.205 119.284 120.200 -1.185 0.000 2.077 309 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 309 E C 1.992 178.008 176.600 -0.973 0.000 0.989 309 E CA 1.660 56.796 56.400 -2.106 0.000 0.800 309 E CB -0.492 27.782 29.700 -2.377 0.000 0.746 309 E HN 0.645 nan 8.360 nan 0.000 0.452 310 L N 0.349 121.185 121.223 -0.646 0.000 2.156 310 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 310 L C 2.282 178.948 176.870 -0.339 0.000 1.095 310 L CA 0.717 55.314 54.840 -0.404 0.000 0.770 310 L CB -0.018 41.837 42.059 -0.340 0.000 0.914 310 L HN 0.252 nan 8.230 nan 0.000 0.439 311 L N -1.385 119.602 121.223 -0.394 0.000 2.141 311 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 311 L C 2.447 179.205 176.870 -0.188 0.000 1.094 311 L CA 0.827 55.471 54.840 -0.326 0.000 0.763 311 L CB -0.422 41.363 42.059 -0.456 0.000 0.908 311 L HN 0.430 nan 8.230 nan 0.000 0.437 312 C N -0.557 118.638 119.300 -0.175 0.000 2.492 312 C HA -0.098 4.362 4.460 -0.000 0.000 0.279 312 C C 2.832 177.841 174.990 0.032 0.000 1.335 312 C CA 0.405 59.427 59.018 0.007 0.000 1.734 312 C CB -0.216 27.620 27.740 0.160 0.000 2.027 312 C HN 0.441 nan 8.230 nan 0.000 0.496 313 K N 1.481 121.869 120.400 -0.019 0.000 2.063 313 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 313 K C 1.616 178.145 176.600 -0.118 0.000 1.048 313 K CA 1.673 57.925 56.287 -0.059 0.000 0.928 313 K CB -0.200 32.267 32.500 -0.056 0.000 0.713 313 K HN 0.530 nan 8.250 nan 0.000 0.442 314 E N -0.315 119.826 120.200 -0.098 0.000 2.516 314 E HA -0.112 4.238 4.350 -0.000 0.000 0.199 314 E C 1.540 178.135 176.600 -0.008 0.000 1.069 314 E CA 0.286 56.653 56.400 -0.055 0.000 0.876 314 E CB 0.095 29.751 29.700 -0.074 0.000 0.843 314 E HN 0.346 nan 8.360 nan 0.000 0.530 315 M N -0.197 119.387 119.600 -0.027 0.000 2.466 315 M HA -0.020 4.460 4.480 -0.000 0.000 0.265 315 M C 2.177 178.538 176.300 0.102 0.000 1.122 315 M CA 0.623 55.950 55.300 0.047 0.000 1.157 315 M CB 0.030 32.651 32.600 0.034 0.000 1.352 315 M HN 0.026 nan 8.290 nan 0.000 0.464 316 V N 0.364 120.234 119.914 -0.074 0.000 2.270 316 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 316 V C 2.313 178.393 176.094 -0.024 0.000 1.043 316 V CA 2.172 64.392 62.300 -0.133 0.000 1.014 316 V CB -1.089 30.455 31.823 -0.465 0.000 0.645 316 V HN 0.426 nan 8.190 nan 0.000 0.447 317 T N 0.280 114.820 114.554 -0.023 0.000 2.699 317 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 317 T C 1.680 176.430 174.700 0.084 0.000 1.036 317 T CA 2.141 64.251 62.100 0.017 0.000 1.147 317 T CB -0.519 68.356 68.868 0.012 0.000 0.862 317 T HN 0.484 nan 8.240 nan 0.000 0.446 318 F N 1.258 121.185 119.950 -0.039 0.000 2.250 318 F HA -0.044 4.483 4.527 -0.000 0.000 0.301 318 F C 1.742 177.501 175.800 -0.067 0.000 1.077 318 F CA 0.989 58.965 58.000 -0.041 0.000 1.348 318 F CB -0.286 38.693 39.000 -0.035 0.000 1.040 318 F HN 0.095 nan 8.300 nan 0.000 0.509 319 L N -0.539 120.739 121.223 0.091 0.000 2.084 319 L HA -0.116 4.223 4.340 -0.000 0.000 0.202 319 L C 2.140 178.956 176.870 -0.090 0.000 1.074 319 L CA 1.011 55.828 54.840 -0.038 0.000 0.757 319 L CB -0.834 41.255 42.059 0.050 0.000 0.918 319 L HN -0.063 nan 8.230 nan 0.000 0.444 320 D N 0.490 120.863 120.400 -0.045 0.000 2.133 320 D HA -0.206 4.434 4.640 -0.000 0.000 0.192 320 D C 2.141 178.401 176.300 -0.067 0.000 1.001 320 D CA 1.236 55.209 54.000 -0.046 0.000 0.844 320 D CB -0.137 40.646 40.800 -0.028 0.000 0.944 320 D HN 0.113 nan 8.370 nan 0.000 0.447 321 K N 0.031 120.382 120.400 -0.081 0.000 2.148 321 K HA -0.020 4.300 4.320 -0.000 0.000 0.204 321 K C 2.166 178.687 176.600 -0.131 0.000 1.050 321 K CA 0.242 56.476 56.287 -0.087 0.000 0.942 321 K CB -0.365 32.090 32.500 -0.075 0.000 0.724 321 K HN 0.261 nan 8.250 nan 0.000 0.446 322 L N -0.004 121.086 121.223 -0.221 0.000 2.599 322 L HA 0.009 4.349 4.340 -0.000 0.000 0.230 322 L C 1.108 177.880 176.870 -0.164 0.000 1.141 322 L CA 0.550 55.238 54.840 -0.254 0.000 0.877 322 L CB -0.132 41.637 42.059 -0.483 0.000 1.009 322 L HN 0.469 nan 8.230 nan 0.000 0.447 323 G N 0.457 109.185 108.800 -0.119 0.000 2.284 323 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.261 323 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.261 323 G C 0.369 175.222 174.900 -0.077 0.000 0.997 323 G CA 0.348 45.399 45.100 -0.081 0.000 0.621 323 G HN 0.287 nan 8.290 nan 0.000 0.534 324 I N 2.630 123.138 120.570 -0.103 0.000 2.598 324 I HA 0.254 4.423 4.170 -0.000 0.000 0.284 324 I C -0.460 175.629 176.117 -0.047 0.000 1.140 324 I CA -1.306 59.944 61.300 -0.083 0.000 1.420 324 I CB 1.092 39.023 38.000 -0.114 0.000 1.387 324 I HN -0.015 nan 8.210 nan 0.000 0.553 325 P HA 0.058 nan 4.420 nan 0.000 0.252 325 P C -0.140 177.174 177.300 0.023 0.000 1.218 325 P CA 0.415 63.514 63.100 -0.000 0.000 0.807 325 P CB 0.719 32.419 31.700 0.001 0.000 1.072 326 Q N -1.000 118.805 119.800 0.008 0.000 2.386 326 Q HA 0.689 5.029 4.340 -0.000 0.000 0.274 326 Q C -1.741 174.242 176.000 -0.027 0.000 1.011 326 Q CA -0.699 55.120 55.803 0.028 0.000 0.867 326 Q CB 2.920 31.679 28.738 0.034 0.000 1.409 326 Q HN -0.013 nan 8.270 nan 0.000 0.395 327 A N 0.807 123.593 122.820 -0.057 0.000 2.566 327 A HA 0.813 5.133 4.320 -0.000 0.000 0.292 327 A C -1.274 176.200 177.584 -0.184 0.000 1.112 327 A CA -0.575 51.338 52.037 -0.206 0.000 0.707 327 A CB 1.532 20.258 19.000 -0.456 0.000 1.302 327 A HN 0.582 nan 8.150 nan 0.000 0.409 328 V N -0.802 118.981 119.914 -0.217 0.000 2.370 328 V HA 0.810 4.930 4.120 -0.000 0.000 0.279 328 V C -1.100 174.885 176.094 -0.181 0.000 1.029 328 V CA -0.507 61.739 62.300 -0.089 0.000 0.870 328 V CB 0.217 31.979 31.823 -0.102 0.000 0.984 328 V HN 0.565 nan 8.190 nan 0.000 0.451 329 F N 6.249 126.199 119.950 0.000 0.000 2.408 329 F HA 0.676 5.203 4.527 -0.000 0.000 0.344 329 F C 0.244 176.013 175.800 -0.052 0.000 1.112 329 F CA -0.551 57.428 58.000 -0.036 0.000 1.096 329 F CB 1.728 40.712 39.000 -0.026 0.000 1.129 329 F HN 0.735 nan 8.300 nan 0.000 0.486 330 I N 2.430 123.057 120.570 0.095 0.000 2.468 330 I HA 0.810 4.980 4.170 -0.000 0.000 0.284 330 I C -0.387 175.810 176.117 0.132 0.000 1.038 330 I CA -0.086 61.240 61.300 0.044 0.000 1.083 330 I CB 1.052 39.060 38.000 0.014 0.000 1.223 330 I HN 0.558 nan 8.210 nan 0.000 0.443 331 G N 5.258 114.146 108.800 0.147 0.000 2.601 331 G HA2 0.542 4.502 3.960 -0.000 0.000 0.317 331 G HA3 0.542 4.502 3.960 -0.000 0.000 0.317 331 G C -1.600 173.518 174.900 0.362 0.000 1.246 331 G CA -0.456 44.822 45.100 0.298 0.000 1.012 331 G HN 0.843 nan 8.290 nan 0.000 0.494 332 H N -0.579 118.618 119.070 0.212 0.000 3.038 332 H HA 0.290 4.846 4.556 -0.000 0.000 0.362 332 H C -0.084 175.291 175.328 0.077 0.000 1.167 332 H CA 0.363 56.464 56.048 0.089 0.000 1.197 332 H CB 2.216 31.948 29.762 -0.050 0.000 1.840 332 H HN 0.758 nan 8.280 nan 0.000 0.540 333 D N 1.805 121.971 120.400 -0.391 0.000 3.955 333 D HA -0.322 4.318 4.640 -0.000 0.000 0.142 333 D C 0.970 177.307 176.300 0.062 0.000 0.877 333 D CA 2.004 55.939 54.000 -0.108 0.000 1.100 333 D CB -1.069 39.860 40.800 0.216 0.000 0.533 333 D HN 0.639 nan 8.370 nan 0.000 0.546 334 W N 0.772 122.132 121.300 0.100 0.000 2.388 334 W HA 0.115 4.775 4.660 -0.000 0.000 0.294 334 W C 2.836 179.471 176.519 0.193 0.000 1.212 334 W CA 1.750 59.166 57.345 0.119 0.000 1.271 334 W CB -0.570 28.870 29.460 -0.034 0.000 1.126 334 W HN 0.464 nan 8.180 nan 0.000 0.535 335 A N 0.406 123.429 122.820 0.339 0.000 1.908 335 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 335 A C 2.173 179.922 177.584 0.275 0.000 1.181 335 A CA 1.989 54.215 52.037 0.315 0.000 0.627 335 A CB -1.609 17.528 19.000 0.229 0.000 0.818 335 A HN 0.342 nan 8.150 nan 0.000 0.445 336 G N -0.303 108.627 108.800 0.216 0.000 2.505 336 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 336 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 336 G C 1.532 176.545 174.900 0.188 0.000 1.145 336 G CA 1.516 46.683 45.100 0.111 0.000 0.761 336 G HN 0.362 nan 8.290 nan 0.000 0.571 337 V N 0.991 121.114 119.914 0.349 0.000 2.261 337 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 337 V C 2.682 179.034 176.094 0.429 0.000 1.047 337 V CA 2.307 64.881 62.300 0.456 0.000 1.015 337 V CB -0.528 31.575 31.823 0.466 0.000 0.642 337 V HN 0.515 nan 8.190 nan 0.000 0.446 338 M N -0.257 119.586 119.600 0.406 0.000 2.073 338 M HA -0.201 4.278 4.480 -0.000 0.000 0.258 338 M C 2.231 178.620 176.300 0.149 0.000 1.070 338 M CA 2.166 57.648 55.300 0.303 0.000 1.103 338 M CB -0.296 32.496 32.600 0.320 0.000 1.321 338 M HN 0.207 nan 8.290 nan 0.000 0.405 339 V N -0.059 119.882 119.914 0.045 0.000 2.278 339 V HA -0.346 3.774 4.120 -0.000 0.000 0.251 339 V C 1.845 177.850 176.094 -0.148 0.000 1.062 339 V CA 2.588 64.799 62.300 -0.148 0.000 1.038 339 V CB -0.882 30.813 31.823 -0.213 0.000 0.646 339 V HN 0.703 nan 8.190 nan 0.000 0.447 340 W N -0.231 121.118 121.300 0.082 0.000 2.374 340 W HA -0.115 4.544 4.660 -0.000 0.000 0.288 340 W C 2.445 178.948 176.519 -0.027 0.000 1.218 340 W CA 0.910 58.244 57.345 -0.019 0.000 1.245 340 W CB -0.340 29.167 29.460 0.077 0.000 1.126 340 W HN 0.254 nan 8.180 nan 0.000 0.545 341 N N -0.402 118.491 118.700 0.321 0.000 2.457 341 N HA -0.067 4.672 4.740 -0.000 0.000 0.180 341 N C 1.661 177.351 175.510 0.300 0.000 1.050 341 N CA 0.890 54.142 53.050 0.336 0.000 0.906 341 N CB -0.163 38.589 38.487 0.442 0.000 0.968 341 N HN 0.178 nan 8.380 nan 0.000 0.445 342 M N 0.725 120.416 119.600 0.153 0.000 2.123 342 M HA 0.000 4.480 4.480 -0.000 0.000 0.263 342 M C 2.343 178.706 176.300 0.106 0.000 1.069 342 M CA 0.737 56.097 55.300 0.099 0.000 1.133 342 M CB -0.920 31.492 32.600 -0.314 0.000 1.356 342 M HN 0.034 nan 8.290 nan 0.000 0.415 343 A N 0.174 123.023 122.820 0.049 0.000 1.978 343 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 343 A C 2.183 179.775 177.584 0.013 0.000 1.170 343 A CA 1.463 53.537 52.037 0.062 0.000 0.636 343 A CB -0.807 18.242 19.000 0.082 0.000 0.810 343 A HN 0.461 nan 8.150 nan 0.000 0.448 344 L N -3.142 118.067 121.223 -0.023 0.000 2.270 344 L HA 0.239 4.579 4.340 -0.000 0.000 0.210 344 L C 1.803 178.471 176.870 -0.335 0.000 1.104 344 L CA 1.499 56.234 54.840 -0.175 0.000 0.804 344 L CB -0.102 41.837 42.059 -0.200 0.000 0.937 344 L HN 0.289 nan 8.230 nan 0.000 0.450 345 F N -2.002 117.836 119.950 -0.186 0.000 2.653 345 F HA 0.211 4.738 4.527 -0.000 0.000 0.288 345 F C 0.064 175.583 175.800 -0.468 0.000 1.121 345 F CA -0.033 57.742 58.000 -0.374 0.000 1.384 345 F CB 0.385 39.098 39.000 -0.479 0.000 1.115 345 F HN -0.130 nan 8.300 nan 0.000 0.599 346 Y N 0.018 120.440 120.300 0.202 0.000 2.584 346 Y HA 0.338 4.888 4.550 -0.000 0.000 0.358 346 Y C -2.065 173.895 175.900 0.100 0.000 1.028 346 Y CA -3.201 54.984 58.100 0.143 0.000 1.148 346 Y CB -0.103 38.440 38.460 0.137 0.000 1.126 346 Y HN -0.110 nan 8.280 nan 0.000 0.658 347 P HA -0.114 nan 4.420 nan 0.000 0.216 347 P C 1.042 178.433 177.300 0.151 0.000 1.153 347 P CA 1.394 64.575 63.100 0.134 0.000 0.844 347 P CB 0.594 32.340 31.700 0.077 0.000 0.787 348 E N -0.198 120.093 120.200 0.151 0.000 2.147 348 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 348 E C 1.757 178.439 176.600 0.137 0.000 1.005 348 E CA 1.250 57.728 56.400 0.130 0.000 0.810 348 E CB -0.556 29.220 29.700 0.128 0.000 0.736 348 E HN 0.178 nan 8.360 nan 0.000 0.460 349 R N 0.104 120.712 120.500 0.179 0.000 2.317 349 R HA 0.148 4.488 4.340 -0.000 0.000 0.208 349 R C -0.217 176.236 176.300 0.254 0.000 0.914 349 R CA 0.096 56.311 56.100 0.191 0.000 1.060 349 R CB -0.003 30.418 30.300 0.201 0.000 1.015 349 R HN 0.032 nan 8.270 nan 0.000 0.498 350 V N 2.487 122.544 119.914 0.239 0.000 2.311 350 V HA 0.232 4.351 4.120 -0.000 0.000 0.275 350 V C 1.326 177.527 176.094 0.179 0.000 1.022 350 V CA -0.610 61.855 62.300 0.274 0.000 0.830 350 V CB 1.799 33.784 31.823 0.269 0.000 1.012 350 V HN -0.057 nan 8.190 nan 0.000 0.452 351 R N 3.668 124.247 120.500 0.131 0.000 2.073 351 R HA 0.152 4.492 4.340 -0.000 0.000 0.234 351 R C 0.546 176.901 176.300 0.091 0.000 1.134 351 R CA 1.570 57.712 56.100 0.069 0.000 0.952 351 R CB -0.101 30.205 30.300 0.010 0.000 0.850 351 R HN 0.865 nan 8.270 nan 0.000 0.433 352 A N -1.729 121.174 122.820 0.138 0.000 2.586 352 A HA 0.571 4.891 4.320 -0.000 0.000 0.290 352 A C -1.551 176.235 177.584 0.336 0.000 1.086 352 A CA -0.314 51.870 52.037 0.245 0.000 0.665 352 A CB 1.319 20.416 19.000 0.162 0.000 1.279 352 A HN 0.007 nan 8.150 nan 0.000 0.423 353 V N -2.137 118.006 119.914 0.382 0.000 2.789 353 V HA 0.967 5.087 4.120 -0.000 0.000 0.311 353 V C -0.010 176.012 176.094 -0.120 0.000 1.073 353 V CA -0.285 62.073 62.300 0.097 0.000 0.921 353 V CB 1.012 32.740 31.823 -0.158 0.000 1.009 353 V HN 2.220 nan 8.190 nan 0.000 0.426 354 A N 2.061 124.702 122.820 -0.299 0.000 2.475 354 A HA 0.941 5.261 4.320 -0.000 0.000 0.301 354 A C -0.603 176.760 177.584 -0.369 0.000 1.059 354 A CA -0.524 51.232 52.037 -0.468 0.000 0.710 354 A CB 2.189 20.913 19.000 -0.461 0.000 1.288 354 A HN 1.088 nan 8.150 nan 0.000 0.408 355 S N 0.599 116.171 115.700 -0.213 0.000 2.548 355 S HA 0.769 5.239 4.470 -0.000 0.000 0.286 355 S C -1.315 173.337 174.600 0.087 0.000 1.098 355 S CA -0.499 57.676 58.200 -0.042 0.000 0.930 355 S CB 0.815 64.141 63.200 0.209 0.000 1.070 355 S HN 0.613 nan 8.310 nan 0.000 0.480 356 L N 4.282 125.573 121.223 0.113 0.000 2.333 356 L HA 0.464 4.804 4.340 -0.000 0.000 0.280 356 L C 0.392 177.265 176.870 0.006 0.000 1.004 356 L CA -0.602 54.298 54.840 0.099 0.000 0.820 356 L CB 1.380 43.563 42.059 0.208 0.000 1.247 356 L HN 0.927 nan 8.230 nan 0.000 0.416 357 N N 0.034 118.743 118.700 0.015 0.000 1.964 357 N HA -0.217 4.523 4.740 -0.000 0.000 0.221 357 N C 0.317 175.852 175.510 0.041 0.000 0.848 357 N CA 2.311 55.355 53.050 -0.009 0.000 3.585 357 N CB -1.298 37.123 38.487 -0.109 0.000 0.745 357 N HN 0.639 nan 8.380 nan 0.000 0.357 358 T N 3.949 118.536 114.554 0.056 0.000 2.743 358 T HA 0.303 4.653 4.350 -0.000 0.000 0.290 358 T C -2.287 172.595 174.700 0.303 0.000 0.908 358 T CA -0.790 61.392 62.100 0.138 0.000 1.092 358 T CB 1.232 70.178 68.868 0.130 0.000 0.882 358 T HN 0.206 nan 8.240 nan 0.000 0.531 359 P HA 0.189 nan 4.420 nan 0.000 0.274 359 P C -0.548 176.697 177.300 -0.093 0.000 1.256 359 P CA -0.725 62.394 63.100 0.031 0.000 0.795 359 P CB 0.630 32.320 31.700 -0.018 0.000 1.038 360 F N 2.562 122.131 119.950 -0.635 0.000 2.375 360 F HA 0.361 4.888 4.527 -0.000 0.000 0.362 360 F C -0.114 175.442 175.800 -0.407 0.000 1.129 360 F CA -1.147 56.392 58.000 -0.769 0.000 1.154 360 F CB -0.230 38.062 39.000 -1.179 0.000 1.205 360 F HN 0.056 nan 8.300 nan 0.000 0.513 361 M N 8.764 127.993 119.600 -0.618 0.000 2.325 361 M HA 0.377 4.857 4.480 -0.000 0.000 0.305 361 M C -2.449 173.451 176.300 -0.666 0.000 1.047 361 M CA -1.759 53.207 55.300 -0.556 0.000 0.981 361 M CB 0.244 32.712 32.600 -0.221 0.000 1.307 361 M HN 0.281 nan 8.290 nan 0.000 0.418 362 P HA 0.341 nan 4.420 nan 0.000 0.271 362 P C -2.626 174.451 177.300 -0.370 0.000 1.244 362 P CA -0.523 62.063 63.100 -0.858 0.000 0.793 362 P CB -0.340 30.544 31.700 -1.360 0.000 0.984 363 P HA 0.350 nan 4.420 nan 0.000 0.285 363 P C -1.282 176.052 177.300 0.057 0.000 1.285 363 P CA -0.455 62.659 63.100 0.023 0.000 0.854 363 P CB 0.835 32.611 31.700 0.127 0.000 1.180 364 D N 0.769 121.292 120.400 0.204 0.000 2.168 364 D HA 0.303 4.942 4.640 -0.000 0.000 0.246 364 D C -1.846 174.654 176.300 0.334 0.000 1.050 364 D CA -1.747 52.371 54.000 0.197 0.000 0.857 364 D CB 0.370 41.267 40.800 0.162 0.000 1.169 364 D HN 0.187 nan 8.370 nan 0.000 0.453 365 P HA 0.025 nan 4.420 nan 0.000 0.245 365 P C -0.435 177.082 177.300 0.361 0.000 1.206 365 P CA 0.510 63.776 63.100 0.278 0.000 0.781 365 P CB 0.138 31.881 31.700 0.072 0.000 0.994 366 D N -0.842 119.703 120.400 0.242 0.000 2.892 366 D HA 0.221 4.861 4.640 -0.000 0.000 0.291 366 D C -0.468 175.898 176.300 0.110 0.000 1.341 366 D CA -0.966 53.128 54.000 0.157 0.000 0.844 366 D CB -0.234 40.625 40.800 0.099 0.000 1.093 366 D HN -0.146 nan 8.370 nan 0.000 0.480 367 V N 0.495 120.483 119.914 0.123 0.000 2.818 367 V HA 0.203 4.323 4.120 -0.000 0.000 0.256 367 V C 0.150 176.167 176.094 -0.128 0.000 0.925 367 V CA -1.167 61.145 62.300 0.020 0.000 0.908 367 V CB 1.067 32.924 31.823 0.056 0.000 1.052 367 V HN 0.337 nan 8.190 nan 0.000 0.498 368 S N 6.661 122.203 115.700 -0.265 0.000 2.817 368 S HA 0.023 4.493 4.470 -0.000 0.000 0.333 368 S C -0.229 174.113 174.600 -0.430 0.000 1.227 368 S CA 0.559 58.456 58.200 -0.504 0.000 1.027 368 S CB 0.855 63.866 63.200 -0.315 0.000 0.732 368 S HN 0.651 nan 8.310 nan 0.000 0.499 369 P HA -0.118 nan 4.420 nan 0.000 0.220 369 P C 1.528 178.758 177.300 -0.117 0.000 1.148 369 P CA 0.872 63.805 63.100 -0.278 0.000 0.803 369 P CB 0.030 31.585 31.700 -0.241 0.000 0.782 370 M N -0.323 119.192 119.600 -0.142 0.000 2.200 370 M HA -0.055 4.425 4.480 -0.000 0.000 0.265 370 M C 1.933 178.199 176.300 -0.056 0.000 1.066 370 M CA 1.582 56.842 55.300 -0.067 0.000 1.127 370 M CB -1.162 31.396 32.600 -0.070 0.000 1.379 370 M HN -0.171 nan 8.290 nan 0.000 0.420 371 K N 0.008 120.356 120.400 -0.087 0.000 2.063 371 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 371 K C 1.810 178.386 176.600 -0.040 0.000 1.048 371 K CA 1.491 57.739 56.287 -0.065 0.000 0.928 371 K CB -0.754 31.699 32.500 -0.080 0.000 0.713 371 K HN 0.373 nan 8.250 nan 0.000 0.442 372 V N -1.265 118.630 119.914 -0.031 0.000 2.594 372 V HA -0.147 3.973 4.120 -0.000 0.000 0.253 372 V C 1.788 177.910 176.094 0.048 0.000 1.069 372 V CA 1.532 63.837 62.300 0.008 0.000 1.082 372 V CB -0.497 31.346 31.823 0.033 0.000 0.680 372 V HN 0.216 nan 8.190 nan 0.000 0.469 373 I N -0.370 120.236 120.570 0.059 0.000 2.400 373 I HA -0.048 4.122 4.170 -0.000 0.000 0.248 373 I C 3.000 179.142 176.117 0.041 0.000 1.109 373 I CA 1.121 62.492 61.300 0.118 0.000 1.425 373 I CB -0.402 37.642 38.000 0.073 0.000 1.094 373 I HN 0.203 nan 8.210 nan 0.000 0.425 374 R N 0.722 121.220 120.500 -0.003 0.000 2.159 374 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 374 R C 2.571 178.845 176.300 -0.043 0.000 1.131 374 R CA 1.771 57.855 56.100 -0.027 0.000 0.982 374 R CB -0.172 30.109 30.300 -0.032 0.000 0.868 374 R HN 0.462 nan 8.270 nan 0.000 0.453 375 S N 0.680 116.351 115.700 -0.049 0.000 2.336 375 S HA -0.005 4.465 4.470 -0.000 0.000 0.216 375 S C 1.137 175.667 174.600 -0.115 0.000 1.032 375 S CA 0.112 58.270 58.200 -0.071 0.000 0.973 375 S CB -0.171 62.991 63.200 -0.064 0.000 0.888 375 S HN 0.117 nan 8.310 nan 0.000 0.455 376 I N 4.480 124.944 120.570 -0.177 0.000 2.769 376 I HA 0.047 4.217 4.170 -0.000 0.000 0.285 376 I C -1.179 174.771 176.117 -0.279 0.000 1.173 376 I CA -0.985 60.108 61.300 -0.345 0.000 1.389 376 I CB 0.274 37.798 38.000 -0.793 0.000 1.404 376 I HN 0.338 nan 8.210 nan 0.000 0.544 377 P HA -0.141 nan 4.420 nan 0.000 0.222 377 P C 1.230 178.558 177.300 0.047 0.000 1.147 377 P CA 0.997 64.069 63.100 -0.048 0.000 0.790 377 P CB 0.413 32.096 31.700 -0.030 0.000 0.780 378 V N -1.091 118.740 119.914 -0.138 0.000 3.577 378 V HA 0.102 4.222 4.120 -0.000 0.000 0.294 378 V C 0.423 176.532 176.094 0.024 0.000 1.317 378 V CA 0.306 62.485 62.300 -0.202 0.000 1.169 378 V CB -1.123 30.542 31.823 -0.264 0.000 1.011 378 V HN -0.149 nan 8.190 nan 0.000 0.426 379 F N -0.005 119.833 119.950 -0.186 0.000 2.908 379 F HA 0.358 4.885 4.527 -0.000 0.000 0.328 379 F C 1.534 177.038 175.800 -0.493 0.000 1.211 379 F CA -0.856 56.900 58.000 -0.406 0.000 1.291 379 F CB -1.118 37.697 39.000 -0.308 0.000 0.962 379 F HN 0.219 nan 8.300 nan 0.000 0.505 380 N N 0.700 119.316 118.700 -0.141 0.000 2.062 380 N HA -0.246 4.494 4.740 -0.000 0.000 0.191 380 N C 2.210 177.558 175.510 -0.270 0.000 1.042 380 N CA 1.949 54.915 53.050 -0.140 0.000 0.845 380 N CB -0.172 38.289 38.487 -0.042 0.000 1.024 380 N HN 0.412 nan 8.380 nan 0.000 0.424 381 Y N 0.813 120.962 120.300 -0.251 0.000 2.181 381 Y HA -0.214 4.336 4.550 -0.000 0.000 0.284 381 Y C 2.422 177.867 175.900 -0.758 0.000 1.179 381 Y CA 1.350 59.171 58.100 -0.466 0.000 1.179 381 Y CB -1.119 36.974 38.460 -0.612 0.000 0.973 381 Y HN 0.150 nan 8.280 nan 0.000 0.519 382 Q N 0.363 119.123 119.800 -1.733 0.000 2.197 382 Q HA -0.164 4.176 4.340 -0.000 0.000 0.207 382 Q C 1.940 177.644 176.000 -0.493 0.000 0.984 382 Q CA 2.060 57.159 55.803 -1.173 0.000 0.869 382 Q CB -0.196 28.004 28.738 -0.896 0.000 0.906 382 Q HN 0.688 nan 8.270 nan 0.000 0.426 383 L N -1.416 119.607 121.223 -0.334 0.000 2.127 383 L HA -0.101 4.239 4.340 -0.000 0.000 0.203 383 L C 2.037 178.909 176.870 0.003 0.000 1.080 383 L CA 0.646 55.421 54.840 -0.108 0.000 0.768 383 L CB -0.454 41.563 42.059 -0.069 0.000 0.924 383 L HN 0.301 nan 8.230 nan 0.000 0.444 384 Y N 0.274 120.470 120.300 -0.173 0.000 2.114 384 Y HA -0.328 4.222 4.550 -0.000 0.000 0.282 384 Y C 2.269 178.237 175.900 0.114 0.000 1.165 384 Y CA 1.339 59.410 58.100 -0.048 0.000 1.148 384 Y CB -0.607 37.806 38.460 -0.078 0.000 0.972 384 Y HN 0.059 nan 8.280 nan 0.000 0.504 385 F N 0.579 120.391 119.950 -0.229 0.000 2.202 385 F HA -0.204 4.323 4.527 -0.000 0.000 0.301 385 F C 2.509 178.217 175.800 -0.152 0.000 1.082 385 F CA 1.514 59.326 58.000 -0.313 0.000 1.313 385 F CB -1.542 37.228 39.000 -0.384 0.000 1.024 385 F HN 0.151 nan 8.300 nan 0.000 0.495 386 Q N 0.481 120.346 119.800 0.109 0.000 2.376 386 Q HA -0.211 4.129 4.340 -0.000 0.000 0.211 386 Q C 0.349 176.382 176.000 0.055 0.000 0.986 386 Q CA 0.922 56.776 55.803 0.085 0.000 0.886 386 Q CB -0.313 28.462 28.738 0.062 0.000 0.927 386 Q HN 0.251 nan 8.270 nan 0.000 0.457 387 E N 0.258 120.482 120.200 0.039 0.000 2.109 387 E HA 0.251 4.600 4.350 -0.000 0.000 0.278 387 E C -2.553 174.045 176.600 -0.003 0.000 0.954 387 E CA -3.035 53.380 56.400 0.026 0.000 0.779 387 E CB 1.048 30.777 29.700 0.048 0.000 1.093 387 E HN -0.120 nan 8.360 nan 0.000 0.401 388 P HA 0.102 nan 4.420 nan 0.000 0.262 388 P C 0.540 177.834 177.300 -0.008 0.000 1.199 388 P CA 1.083 64.177 63.100 -0.010 0.000 0.763 388 P CB 0.796 32.495 31.700 -0.001 0.000 0.790 389 G N 1.618 110.406 108.800 -0.020 0.000 2.358 389 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.224 389 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.224 389 G C 1.006 175.895 174.900 -0.018 0.000 1.073 389 G CA 0.215 45.309 45.100 -0.010 0.000 0.635 389 G HN 0.357 nan 8.290 nan 0.000 0.509 390 V N 1.706 121.606 119.914 -0.023 0.000 2.216 390 V HA 0.075 4.195 4.120 -0.000 0.000 0.243 390 V C 3.300 179.347 176.094 -0.079 0.000 1.044 390 V CA 3.351 65.647 62.300 -0.007 0.000 0.995 390 V CB -1.333 30.515 31.823 0.042 0.000 0.633 390 V HN 1.112 nan 8.190 nan 0.000 0.446 391 A N -0.569 122.085 122.820 -0.277 0.000 1.969 391 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 391 A C 2.060 179.500 177.584 -0.241 0.000 1.169 391 A CA 1.818 53.625 52.037 -0.382 0.000 0.635 391 A CB -0.536 18.109 19.000 -0.592 0.000 0.810 391 A HN 0.624 nan 8.150 nan 0.000 0.445 392 E N 0.224 120.319 120.200 -0.174 0.000 2.033 392 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 392 E C 2.307 178.841 176.600 -0.110 0.000 1.011 392 E CA 1.608 57.942 56.400 -0.110 0.000 0.815 392 E CB -0.492 29.200 29.700 -0.012 0.000 0.755 392 E HN 0.578 nan 8.360 nan 0.000 0.451 393 A N 0.905 123.692 122.820 -0.056 0.000 1.917 393 A HA -0.340 3.980 4.320 -0.000 0.000 0.219 393 A C 2.183 179.739 177.584 -0.046 0.000 1.182 393 A CA 2.027 54.047 52.037 -0.028 0.000 0.633 393 A CB -0.590 18.411 19.000 0.002 0.000 0.819 393 A HN 0.304 nan 8.150 nan 0.000 0.448 394 E N -0.357 119.817 120.200 -0.042 0.000 2.028 394 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 394 E C 2.045 178.569 176.600 -0.127 0.000 0.988 394 E CA 1.139 57.524 56.400 -0.024 0.000 0.799 394 E CB -0.196 29.562 29.700 0.097 0.000 0.755 394 E HN 0.639 nan 8.360 nan 0.000 0.447 395 L N 0.709 121.763 121.223 -0.282 0.000 2.042 395 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 395 L C 2.384 178.942 176.870 -0.520 0.000 1.076 395 L CA 1.465 55.951 54.840 -0.589 0.000 0.749 395 L CB -0.347 40.960 42.059 -1.253 0.000 0.893 395 L HN 0.123 nan 8.230 nan 0.000 0.432 396 E N -0.283 119.721 120.200 -0.327 0.000 2.208 396 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 396 E C 2.068 178.656 176.600 -0.021 0.000 0.988 396 E CA 0.297 56.661 56.400 -0.060 0.000 0.828 396 E CB -0.010 29.726 29.700 0.060 0.000 0.763 396 E HN 0.267 nan 8.360 nan 0.000 0.478 397 K N 1.103 121.476 120.400 -0.044 0.000 2.077 397 K HA -0.207 4.113 4.320 -0.000 0.000 0.213 397 K C 0.540 177.139 176.600 -0.001 0.000 1.051 397 K CA 1.374 57.653 56.287 -0.014 0.000 0.929 397 K CB -0.028 32.461 32.500 -0.018 0.000 0.715 397 K HN 0.069 nan 8.250 nan 0.000 0.451 398 N N -0.605 118.085 118.700 -0.017 0.000 2.664 398 N HA 0.078 4.818 4.740 -0.000 0.000 0.268 398 N C 0.176 175.683 175.510 -0.004 0.000 1.222 398 N CA -0.122 52.932 53.050 0.007 0.000 0.805 398 N CB 0.691 39.181 38.487 0.005 0.000 1.399 398 N HN -0.033 nan 8.380 nan 0.000 0.547 399 M N 0.406 120.037 119.600 0.052 0.000 2.279 399 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 399 M C 1.837 178.230 176.300 0.155 0.000 1.062 399 M CA 1.068 56.426 55.300 0.097 0.000 1.099 399 M CB -0.185 32.586 32.600 0.285 0.000 1.394 399 M HN 0.606 nan 8.290 nan 0.000 0.426 400 S N 0.832 116.613 115.700 0.135 0.000 2.348 400 S HA -0.173 4.297 4.470 -0.000 0.000 0.221 400 S C 2.113 176.763 174.600 0.084 0.000 1.033 400 S CA 1.277 59.566 58.200 0.147 0.000 1.010 400 S CB -0.238 63.025 63.200 0.104 0.000 0.891 400 S HN 0.463 nan 8.310 nan 0.000 0.442 401 R N 0.342 120.856 120.500 0.023 0.000 2.082 401 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 401 R C 2.134 178.399 176.300 -0.059 0.000 1.136 401 R CA 2.258 58.353 56.100 -0.008 0.000 0.935 401 R CB -1.542 28.747 30.300 -0.019 0.000 0.842 401 R HN 0.474 nan 8.270 nan 0.000 0.430 402 T N 1.075 115.544 114.554 -0.141 0.000 2.653 402 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 402 T C 1.580 176.024 174.700 -0.426 0.000 1.037 402 T CA 2.265 64.189 62.100 -0.292 0.000 1.159 402 T CB -0.365 68.153 68.868 -0.583 0.000 0.859 402 T HN 0.235 nan 8.240 nan 0.000 0.449 403 F N 1.056 120.919 119.950 -0.145 0.000 2.219 403 F HA 0.177 4.704 4.527 -0.000 0.000 0.294 403 F C 2.308 177.953 175.800 -0.259 0.000 1.086 403 F CA 0.593 58.376 58.000 -0.361 0.000 1.330 403 F CB -0.307 38.533 39.000 -0.266 0.000 1.047 403 F HN 0.049 nan 8.300 nan 0.000 0.495 404 K N -0.166 120.268 120.400 0.057 0.000 2.147 404 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 404 K C 2.182 178.801 176.600 0.031 0.000 1.049 404 K CA 1.512 57.839 56.287 0.066 0.000 0.936 404 K CB -0.410 32.130 32.500 0.066 0.000 0.722 404 K HN 0.084 nan 8.250 nan 0.000 0.446 405 S N 0.863 116.562 115.700 -0.001 0.000 2.343 405 S HA -0.087 4.383 4.470 -0.000 0.000 0.219 405 S C 1.744 176.355 174.600 0.018 0.000 1.033 405 S CA 1.220 59.414 58.200 -0.011 0.000 1.014 405 S CB -0.322 62.846 63.200 -0.053 0.000 0.915 405 S HN 0.173 nan 8.310 nan 0.000 0.435 406 F N 0.933 120.764 119.950 -0.199 0.000 2.095 406 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 406 F C 0.462 176.289 175.800 0.044 0.000 1.104 406 F CA 0.825 58.741 58.000 -0.140 0.000 1.232 406 F CB -0.297 38.371 39.000 -0.554 0.000 0.987 406 F HN 0.093 nan 8.300 nan 0.000 0.475 407 F N 2.330 122.338 119.950 0.097 0.000 2.406 407 F HA 0.393 4.920 4.527 -0.000 0.000 0.358 407 F C 0.188 176.023 175.800 0.058 0.000 1.161 407 F CA -0.872 56.997 58.000 -0.218 0.000 1.185 407 F CB -0.360 38.314 39.000 -0.542 0.000 1.421 407 F HN -0.181 nan 8.300 nan 0.000 0.576 408 R N 1.014 121.807 120.500 0.488 0.000 2.774 408 R HA 0.862 5.202 4.340 -0.000 0.000 0.272 408 R C -0.745 175.812 176.300 0.428 0.000 1.000 408 R CA -1.379 54.914 56.100 0.322 0.000 0.906 408 R CB 1.518 31.915 30.300 0.161 0.000 1.227 408 R HN 0.460 nan 8.270 nan 0.000 0.468 409 A N 0.735 123.704 122.820 0.248 0.000 2.366 409 A HA 0.171 4.491 4.320 -0.000 0.000 0.249 409 A C 1.345 179.094 177.584 0.275 0.000 1.084 409 A CA 0.124 52.302 52.037 0.236 0.000 0.794 409 A CB 0.397 19.472 19.000 0.124 0.000 1.034 409 A HN 0.920 nan 8.150 nan 0.000 0.491 410 S N 0.315 116.166 115.700 0.252 0.000 2.465 410 S HA -0.140 4.330 4.470 -0.000 0.000 0.241 410 S C 0.460 175.212 174.600 0.253 0.000 1.000 410 S CA 1.398 59.764 58.200 0.276 0.000 0.964 410 S CB -0.396 62.894 63.200 0.150 0.000 0.763 410 S HN 0.770 nan 8.310 nan 0.000 0.512 411 D N 0.168 120.652 120.400 0.140 0.000 3.123 411 D HA 0.438 5.078 4.640 -0.000 0.000 0.305 411 D C -0.323 175.971 176.300 -0.011 0.000 1.373 411 D CA -0.308 53.735 54.000 0.072 0.000 0.889 411 D CB 0.136 40.966 40.800 0.051 0.000 1.070 411 D HN 0.490 nan 8.370 nan 0.000 0.494 412 E N -0.330 119.797 120.200 -0.122 0.000 2.433 412 E HA 0.329 4.679 4.350 -0.000 0.000 0.278 412 E C -0.046 176.202 176.600 -0.586 0.000 0.976 412 E CA -0.646 55.599 56.400 -0.259 0.000 0.793 412 E CB 1.980 31.564 29.700 -0.193 0.000 1.311 412 E HN 0.096 nan 8.360 nan 0.000 0.460 413 T N -0.959 113.345 114.554 -0.418 0.000 4.022 413 T HA 0.299 4.648 4.350 -0.000 0.000 0.347 413 T C 1.350 175.766 174.700 -0.474 0.000 1.227 413 T CA 0.020 61.873 62.100 -0.412 0.000 0.898 413 T CB -0.635 68.124 68.868 -0.181 0.000 2.033 413 T HN 0.844 nan 8.240 nan 0.000 0.525 414 G N 0.433 109.104 108.800 -0.214 0.000 2.271 414 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.283 414 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.283 414 G C 0.281 175.160 174.900 -0.035 0.000 1.002 414 G CA 0.678 45.711 45.100 -0.112 0.000 0.701 414 G HN 0.501 nan 8.290 nan 0.000 0.528 415 F N -0.539 119.399 119.950 -0.021 0.000 2.639 415 F HA 0.075 4.602 4.527 -0.000 0.000 0.276 415 F C 1.556 177.290 175.800 -0.109 0.000 1.011 415 F CA -0.418 57.554 58.000 -0.046 0.000 1.226 415 F CB 0.040 39.018 39.000 -0.037 0.000 0.974 415 F HN -0.041 nan 8.300 nan 0.000 0.654 416 I N 0.368 120.991 120.570 0.088 0.000 2.797 416 I HA 0.267 4.437 4.170 -0.000 0.000 0.310 416 I C 0.371 176.403 176.117 -0.142 0.000 0.990 416 I CA -0.891 60.310 61.300 -0.165 0.000 1.228 416 I CB 1.062 38.814 38.000 -0.413 0.000 1.406 416 I HN 0.518 nan 8.210 nan 0.000 0.534 417 A N 4.436 127.164 122.820 -0.154 0.000 3.175 417 A HA 0.387 4.707 4.320 -0.000 0.000 0.289 417 A C 1.061 178.576 177.584 -0.115 0.000 1.429 417 A CA -0.404 51.572 52.037 -0.102 0.000 1.155 417 A CB -0.668 18.284 19.000 -0.080 0.000 1.169 417 A HN 0.607 nan 8.150 nan 0.000 0.574 418 V N -1.593 118.210 119.914 -0.184 0.000 2.626 418 V HA -0.189 3.930 4.120 -0.000 0.000 0.252 418 V C 1.716 177.778 176.094 -0.054 0.000 1.067 418 V CA 2.191 64.421 62.300 -0.116 0.000 1.081 418 V CB -1.409 30.244 31.823 -0.283 0.000 0.686 418 V HN 0.793 nan 8.190 nan 0.000 0.468 419 H N 1.777 120.836 119.070 -0.019 0.000 2.287 419 H HA 0.101 4.657 4.556 -0.000 0.000 0.309 419 H C 2.214 177.506 175.328 -0.060 0.000 1.059 419 H CA 1.611 57.633 56.048 -0.044 0.000 1.357 419 H CB -0.047 29.677 29.762 -0.064 0.000 1.409 419 H HN 0.449 nan 8.280 nan 0.000 0.515 420 K N 1.446 121.898 120.400 0.088 0.000 2.487 420 K HA 0.210 4.530 4.320 -0.000 0.000 0.192 420 K C 1.905 178.463 176.600 -0.071 0.000 1.027 420 K CA 0.639 56.923 56.287 -0.005 0.000 1.054 420 K CB 0.241 32.732 32.500 -0.015 0.000 0.824 420 K HN 0.205 nan 8.250 nan 0.000 0.510 421 A N 2.197 124.962 122.820 -0.092 0.000 1.887 421 A HA -0.219 4.100 4.320 -0.000 0.000 0.225 421 A C 1.203 178.618 177.584 -0.281 0.000 1.464 421 A CA 2.422 54.335 52.037 -0.207 0.000 0.717 421 A CB -1.745 17.168 19.000 -0.145 0.000 0.848 421 A HN 0.627 nan 8.150 nan 0.000 0.477 422 T N -1.973 112.472 114.554 -0.183 0.000 2.832 422 T HA 0.544 4.894 4.350 -0.000 0.000 0.296 422 T C 0.372 175.009 174.700 -0.106 0.000 0.968 422 T CA 0.277 62.291 62.100 -0.144 0.000 1.107 422 T CB 1.910 70.739 68.868 -0.064 0.000 0.916 422 T HN 0.600 nan 8.240 nan 0.000 0.517 423 E N 0.576 120.715 120.200 -0.102 0.000 3.387 423 E HA -0.181 4.169 4.350 -0.000 0.000 0.133 423 E C 1.111 177.659 176.600 -0.087 0.000 0.725 423 E CA 0.692 57.046 56.400 -0.076 0.000 3.006 423 E CB -1.040 28.620 29.700 -0.065 0.000 1.248 423 E HN 0.713 nan 8.360 nan 0.000 0.743 424 I N 0.504 121.010 120.570 -0.106 0.000 3.564 424 I HA 0.299 4.469 4.170 -0.000 0.000 0.294 424 I C 1.074 177.106 176.117 -0.142 0.000 1.289 424 I CA 1.463 62.700 61.300 -0.105 0.000 1.325 424 I CB -0.202 37.743 38.000 -0.092 0.000 1.039 424 I HN 0.453 nan 8.210 nan 0.000 0.474 425 G N 1.461 110.143 108.800 -0.197 0.000 2.283 425 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.280 425 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.280 425 G C 0.408 175.090 174.900 -0.362 0.000 1.029 425 G CA 0.198 45.147 45.100 -0.252 0.000 0.840 425 G HN 1.332 nan 8.290 nan 0.000 0.505 426 G N -1.423 107.074 108.800 -0.504 0.000 2.030 426 G HA2 0.458 4.418 3.960 -0.000 0.000 0.309 426 G HA3 0.458 4.418 3.960 -0.000 0.000 0.309 426 G C 0.440 175.191 174.900 -0.247 0.000 1.668 426 G CA 0.023 44.878 45.100 -0.408 0.000 0.926 426 G HN 0.732 nan 8.290 nan 0.000 0.652 427 I N 1.869 122.369 120.570 -0.116 0.000 3.102 427 I HA -0.003 4.167 4.170 -0.000 0.000 0.278 427 I C 0.916 177.006 176.117 -0.045 0.000 1.316 427 I CA 1.037 62.335 61.300 -0.003 0.000 1.425 427 I CB 0.034 38.159 38.000 0.209 0.000 1.073 427 I HN 0.487 nan 8.210 nan 0.000 0.503 428 L N -1.446 119.760 121.223 -0.027 0.000 2.878 428 L HA 0.073 4.413 4.340 -0.000 0.000 0.253 428 L C 2.001 178.845 176.870 -0.043 0.000 1.135 428 L CA -0.127 54.685 54.840 -0.046 0.000 0.943 428 L CB 0.476 42.520 42.059 -0.026 0.000 1.307 428 L HN -0.092 nan 8.230 nan 0.000 0.545 429 V N 1.381 121.266 119.914 -0.049 0.000 2.439 429 V HA -0.297 3.823 4.120 -0.000 0.000 0.253 429 V C 1.798 177.869 176.094 -0.039 0.000 1.074 429 V CA 2.153 64.426 62.300 -0.046 0.000 1.076 429 V CB -0.816 30.970 31.823 -0.063 0.000 0.664 429 V HN 0.750 nan 8.190 nan 0.000 0.461 430 N N -0.635 118.042 118.700 -0.039 0.000 2.295 430 N HA 0.014 4.754 4.740 -0.000 0.000 0.221 430 N C 0.133 175.631 175.510 -0.021 0.000 1.129 430 N CA 0.110 53.144 53.050 -0.027 0.000 0.836 430 N CB 0.345 38.819 38.487 -0.021 0.000 1.040 430 N HN 0.391 nan 8.380 nan 0.000 0.494 431 T N 2.074 116.612 114.554 -0.026 0.000 2.888 431 T HA 0.429 4.779 4.350 -0.000 0.000 0.284 431 T C -2.661 172.025 174.700 -0.022 0.000 1.017 431 T CA -1.238 60.847 62.100 -0.025 0.000 1.022 431 T CB 1.878 70.725 68.868 -0.036 0.000 1.013 431 T HN 0.051 nan 8.240 nan 0.000 0.465 432 P HA 0.137 nan 4.420 nan 0.000 0.264 432 P C 0.853 178.144 177.300 -0.014 0.000 1.193 432 P CA -0.061 63.029 63.100 -0.017 0.000 0.763 432 P CB 0.582 32.272 31.700 -0.018 0.000 0.810 433 E N 1.697 121.890 120.200 -0.011 0.000 2.160 433 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 433 E C 0.444 177.042 176.600 -0.004 0.000 0.991 433 E CA 1.373 57.768 56.400 -0.008 0.000 0.810 433 E CB -0.092 29.604 29.700 -0.006 0.000 0.742 433 E HN 0.620 nan 8.360 nan 0.000 0.466 434 D N 0.347 120.746 120.400 -0.002 0.000 2.460 434 D HA 0.199 4.839 4.640 -0.000 0.000 0.268 434 D C -2.618 173.684 176.300 0.003 0.000 1.153 434 D CA -2.101 51.901 54.000 0.004 0.000 0.929 434 D CB 0.886 41.689 40.800 0.005 0.000 1.015 434 D HN -0.219 nan 8.370 nan 0.000 0.502 435 P HA 0.060 nan 4.420 nan 0.000 0.268 435 P C 0.475 177.781 177.300 0.010 0.000 1.204 435 P CA -0.320 62.782 63.100 0.003 0.000 0.768 435 P CB 0.611 32.315 31.700 0.006 0.000 0.842 436 N N 3.307 122.009 118.700 0.003 0.000 2.424 436 N HA 0.051 4.791 4.740 -0.000 0.000 0.257 436 N C -0.725 174.796 175.510 0.018 0.000 1.250 436 N CA -0.395 52.660 53.050 0.009 0.000 0.946 436 N CB 0.546 39.033 38.487 -0.001 0.000 1.175 436 N HN 0.275 nan 8.380 nan 0.000 0.477 437 L N 1.292 122.532 121.223 0.028 0.000 2.313 437 L HA 0.159 4.499 4.340 -0.000 0.000 0.282 437 L C 0.852 177.746 176.870 0.039 0.000 1.092 437 L CA -0.025 54.841 54.840 0.043 0.000 0.831 437 L CB 0.659 42.748 42.059 0.050 0.000 1.159 437 L HN 0.752 nan 8.230 nan 0.000 0.442 438 S N 3.729 119.461 115.700 0.052 0.000 2.553 438 S HA -0.064 4.406 4.470 -0.000 0.000 0.271 438 S C 1.105 175.731 174.600 0.044 0.000 1.362 438 S CA 0.652 58.883 58.200 0.052 0.000 1.010 438 S CB 0.362 63.615 63.200 0.088 0.000 0.865 438 S HN 0.879 nan 8.310 nan 0.000 0.543 439 K N 1.294 121.716 120.400 0.037 0.000 2.374 439 K HA 0.163 4.482 4.320 -0.000 0.000 0.196 439 K C 0.829 177.447 176.600 0.030 0.000 1.023 439 K CA 0.131 56.435 56.287 0.029 0.000 1.103 439 K CB -0.005 32.507 32.500 0.019 0.000 0.848 439 K HN 0.487 nan 8.250 nan 0.000 0.528 440 I N 2.068 122.661 120.570 0.039 0.000 3.860 440 I HA 0.022 4.192 4.170 -0.000 0.000 0.319 440 I C 0.285 176.407 176.117 0.009 0.000 1.279 440 I CA 0.284 61.598 61.300 0.023 0.000 1.220 440 I CB 0.752 38.785 38.000 0.056 0.000 1.027 440 I HN 0.361 nan 8.210 nan 0.000 0.428 441 T N -3.024 111.549 114.554 0.033 0.000 2.843 441 T HA 0.661 5.011 4.350 -0.000 0.000 0.302 441 T C -0.134 174.609 174.700 0.071 0.000 1.232 441 T CA -0.478 61.647 62.100 0.042 0.000 1.009 441 T CB 1.921 70.810 68.868 0.034 0.000 1.254 441 T HN 0.039 nan 8.240 nan 0.000 0.504 442 T N -1.133 113.475 114.554 0.091 0.000 2.942 442 T HA 0.570 4.920 4.350 -0.000 0.000 0.289 442 T C 0.889 175.653 174.700 0.107 0.000 1.044 442 T CA -0.634 61.519 62.100 0.089 0.000 1.023 442 T CB 1.769 70.686 68.868 0.082 0.000 1.123 442 T HN 0.614 nan 8.240 nan 0.000 0.512 443 E N 0.530 120.784 120.200 0.090 0.000 2.097 443 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 443 E C 1.922 178.586 176.600 0.108 0.000 1.000 443 E CA 1.806 58.263 56.400 0.094 0.000 0.804 443 E CB -0.278 29.465 29.700 0.072 0.000 0.740 443 E HN 0.841 nan 8.360 nan 0.000 0.454 444 E N 0.313 120.570 120.200 0.096 0.000 2.049 444 E HA -0.228 4.122 4.350 -0.000 0.000 0.198 444 E C 2.050 178.739 176.600 0.148 0.000 1.007 444 E CA 1.622 58.077 56.400 0.092 0.000 0.809 444 E CB -0.126 29.613 29.700 0.065 0.000 0.749 444 E HN 0.305 nan 8.360 nan 0.000 0.450 445 E N 0.056 120.380 120.200 0.207 0.000 2.077 445 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 445 E C 1.998 178.856 176.600 0.430 0.000 0.989 445 E CA 0.758 57.385 56.400 0.378 0.000 0.800 445 E CB -0.018 29.864 29.700 0.303 0.000 0.746 445 E HN 0.175 nan 8.360 nan 0.000 0.452 446 I N 1.234 121.979 120.570 0.291 0.000 2.163 446 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 446 I C 2.219 178.461 176.117 0.209 0.000 1.085 446 I CA 1.495 62.956 61.300 0.267 0.000 1.347 446 I CB -0.973 37.146 38.000 0.199 0.000 1.044 446 I HN 0.156 nan 8.210 nan 0.000 0.408 447 E N 0.169 120.465 120.200 0.160 0.000 2.085 447 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 447 E C 2.130 178.757 176.600 0.045 0.000 0.994 447 E CA 1.360 57.817 56.400 0.095 0.000 0.801 447 E CB -0.271 29.476 29.700 0.078 0.000 0.743 447 E HN 0.365 nan 8.360 nan 0.000 0.453 448 F N -0.192 119.702 119.950 -0.094 0.000 2.126 448 F HA -0.251 4.275 4.527 -0.000 0.000 0.299 448 F C 1.619 177.261 175.800 -0.263 0.000 1.096 448 F CA 1.541 59.379 58.000 -0.270 0.000 1.255 448 F CB -0.396 38.261 39.000 -0.572 0.000 0.997 448 F HN 0.086 nan 8.300 nan 0.000 0.479 449 Y N -0.207 119.930 120.300 -0.271 0.000 2.200 449 Y HA -0.188 4.362 4.550 -0.000 0.000 0.290 449 Y C 2.287 177.918 175.900 -0.449 0.000 1.137 449 Y CA 1.555 59.357 58.100 -0.497 0.000 1.163 449 Y CB -0.700 37.231 38.460 -0.882 0.000 0.988 449 Y HN 0.023 nan 8.280 nan 0.000 0.518 450 I N 0.148 120.627 120.570 -0.151 0.000 2.127 450 I HA -0.379 3.791 4.170 -0.000 0.000 0.241 450 I C 2.700 178.830 176.117 0.022 0.000 1.075 450 I CA 1.894 63.226 61.300 0.054 0.000 1.334 450 I CB -0.717 37.343 38.000 0.101 0.000 1.040 450 I HN 0.281 nan 8.210 nan 0.000 0.405 451 Q N 0.252 119.987 119.800 -0.109 0.000 2.124 451 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 451 Q C 2.103 177.964 176.000 -0.231 0.000 0.977 451 Q CA 1.388 57.098 55.803 -0.155 0.000 0.850 451 Q CB -0.106 28.512 28.738 -0.200 0.000 0.901 451 Q HN 0.514 nan 8.270 nan 0.000 0.429 452 Q N -0.511 119.047 119.800 -0.403 0.000 2.167 452 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 452 Q C 1.596 177.390 176.000 -0.344 0.000 0.970 452 Q CA 1.103 56.630 55.803 -0.460 0.000 0.855 452 Q CB -0.121 28.210 28.738 -0.679 0.000 0.911 452 Q HN 0.432 nan 8.270 nan 0.000 0.438 453 F N 0.499 120.326 119.950 -0.206 0.000 2.776 453 F HA 0.080 4.607 4.527 -0.000 0.000 0.300 453 F C 1.932 177.683 175.800 -0.082 0.000 1.116 453 F CA 0.284 58.183 58.000 -0.167 0.000 1.375 453 F CB 0.368 39.280 39.000 -0.147 0.000 1.109 453 F HN -0.089 nan 8.300 nan 0.000 0.585 454 K N 0.616 121.068 120.400 0.086 0.000 2.217 454 K HA -0.064 4.256 4.320 -0.000 0.000 0.202 454 K C 1.619 178.222 176.600 0.005 0.000 1.051 454 K CA 0.822 57.147 56.287 0.063 0.000 0.952 454 K CB -0.088 32.434 32.500 0.035 0.000 0.736 454 K HN 0.358 nan 8.250 nan 0.000 0.453 455 K N 0.148 120.513 120.400 -0.058 0.000 2.243 455 K HA -0.009 4.311 4.320 -0.000 0.000 0.201 455 K C 1.779 178.331 176.600 -0.079 0.000 1.051 455 K CA 1.347 57.589 56.287 -0.075 0.000 0.970 455 K CB 0.121 32.554 32.500 -0.112 0.000 0.755 455 K HN 0.127 nan 8.250 nan 0.000 0.465 456 T N -1.416 113.060 114.554 -0.130 0.000 3.000 456 T HA 0.266 4.616 4.350 -0.000 0.000 0.248 456 T C 1.124 175.790 174.700 -0.057 0.000 1.034 456 T CA 0.105 62.122 62.100 -0.137 0.000 1.060 456 T CB 0.353 69.035 68.868 -0.310 0.000 0.983 456 T HN 0.390 nan 8.240 nan 0.000 0.482 457 G N 1.387 110.197 108.800 0.017 0.000 2.645 457 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.239 457 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.239 457 G C -0.071 174.898 174.900 0.115 0.000 1.331 457 G CA 0.013 45.197 45.100 0.139 0.000 0.890 457 G HN 0.284 nan 8.290 nan 0.000 0.572 458 F N 0.064 120.060 119.950 0.077 0.000 2.728 458 F HA 0.320 4.847 4.527 -0.000 0.000 0.314 458 F C 2.452 178.243 175.800 -0.015 0.000 1.094 458 F CA 0.721 58.758 58.000 0.061 0.000 1.217 458 F CB 0.238 39.239 39.000 0.001 0.000 1.056 458 F HN 0.501 nan 8.300 nan 0.000 0.577 459 R N 0.888 121.455 120.500 0.112 0.000 2.103 459 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 459 R C 2.433 178.665 176.300 -0.113 0.000 1.132 459 R CA 2.116 58.218 56.100 0.003 0.000 0.925 459 R CB -1.104 29.189 30.300 -0.010 0.000 0.842 459 R HN 0.363 nan 8.270 nan 0.000 0.430 460 G N 0.905 109.623 108.800 -0.137 0.000 2.599 460 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 460 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 460 G C -1.004 173.727 174.900 -0.281 0.000 1.193 460 G CA 1.133 46.083 45.100 -0.251 0.000 0.778 460 G HN 0.401 nan 8.290 nan 0.000 0.589 461 P HA -0.075 nan 4.420 nan 0.000 0.215 461 P C 2.104 179.544 177.300 0.233 0.000 1.157 461 P CA 0.911 63.891 63.100 -0.199 0.000 0.874 461 P CB -0.234 31.213 31.700 -0.422 0.000 0.790 462 L N -1.113 120.246 121.223 0.228 0.000 2.131 462 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 462 L C 1.785 178.703 176.870 0.080 0.000 1.092 462 L CA 1.195 56.138 54.840 0.172 0.000 0.759 462 L CB -1.128 40.925 42.059 -0.010 0.000 0.903 462 L HN -0.044 nan 8.230 nan 0.000 0.435 463 N N -0.814 117.794 118.700 -0.155 0.000 2.588 463 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 463 N C 1.288 176.681 175.510 -0.196 0.000 1.094 463 N CA 0.874 53.748 53.050 -0.293 0.000 0.921 463 N CB -0.255 37.752 38.487 -0.801 0.000 0.959 463 N HN 0.390 nan 8.380 nan 0.000 0.448 464 W N -0.227 120.829 121.300 -0.407 0.000 2.418 464 W HA -0.006 4.654 4.660 -0.000 0.000 0.292 464 W C 1.505 177.557 176.519 -0.778 0.000 1.213 464 W CA 0.524 57.441 57.345 -0.714 0.000 1.283 464 W CB -0.706 28.059 29.460 -1.159 0.000 1.119 464 W HN 0.116 nan 8.180 nan 0.000 0.542 465 Y N 0.234 120.533 120.300 -0.002 0.000 2.373 465 Y HA -0.070 4.480 4.550 -0.000 0.000 0.293 465 Y C 1.841 177.837 175.900 0.160 0.000 1.129 465 Y CA 1.102 59.372 58.100 0.283 0.000 1.226 465 Y CB -0.657 38.027 38.460 0.374 0.000 1.000 465 Y HN -0.139 nan 8.280 nan 0.000 0.549 466 R N 0.639 121.258 120.500 0.199 0.000 2.541 466 R HA 0.075 4.415 4.340 -0.000 0.000 0.245 466 R C -0.056 176.285 176.300 0.069 0.000 1.154 466 R CA 0.208 56.378 56.100 0.117 0.000 1.179 466 R CB -0.451 29.887 30.300 0.063 0.000 1.189 466 R HN 0.346 nan 8.270 nan 0.000 0.526 467 N N 0.288 119.033 118.700 0.076 0.000 2.377 467 N HA 0.038 4.778 4.740 -0.000 0.000 0.259 467 N C 0.276 175.863 175.510 0.128 0.000 1.332 467 N CA 0.035 53.121 53.050 0.059 0.000 0.877 467 N CB 1.115 39.590 38.487 -0.021 0.000 1.299 467 N HN 0.027 nan 8.380 nan 0.000 0.501 468 T N 1.012 115.665 114.554 0.166 0.000 2.620 468 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 468 T C 1.738 176.565 174.700 0.211 0.000 1.044 468 T CA 1.757 63.974 62.100 0.196 0.000 1.161 468 T CB 0.034 68.988 68.868 0.144 0.000 0.862 468 T HN 0.320 nan 8.240 nan 0.000 0.438 469 E N 1.463 121.759 120.200 0.159 0.000 2.000 469 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 469 E C 2.364 179.156 176.600 0.319 0.000 1.011 469 E CA 1.660 58.175 56.400 0.192 0.000 0.836 469 E CB -0.289 29.483 29.700 0.119 0.000 0.778 469 E HN 0.634 nan 8.360 nan 0.000 0.462 470 R N 0.284 120.917 120.500 0.221 0.000 2.103 470 R HA -0.137 4.203 4.340 -0.000 0.000 0.242 470 R C 2.098 178.550 176.300 0.254 0.000 1.142 470 R CA 1.632 57.856 56.100 0.207 0.000 0.960 470 R CB -0.853 29.508 30.300 0.103 0.000 0.858 470 R HN 0.135 nan 8.270 nan 0.000 0.439 471 N N 0.570 119.418 118.700 0.247 0.000 2.036 471 N HA -0.219 4.521 4.740 -0.000 0.000 0.195 471 N C 1.296 177.013 175.510 0.346 0.000 1.037 471 N CA 1.633 54.866 53.050 0.305 0.000 0.855 471 N CB -0.612 38.046 38.487 0.284 0.000 1.033 471 N HN 0.413 nan 8.380 nan 0.000 0.423 472 W N 2.245 123.635 121.300 0.150 0.000 2.317 472 W HA -0.164 4.496 4.660 -0.000 0.000 0.318 472 W C 2.226 178.808 176.519 0.106 0.000 1.227 472 W CA 1.703 59.112 57.345 0.106 0.000 1.269 472 W CB -0.388 29.120 29.460 0.079 0.000 1.155 472 W HN -0.028 nan 8.180 nan 0.000 0.484 473 K N -1.012 119.487 120.400 0.165 0.000 2.152 473 K HA -0.251 4.069 4.320 -0.000 0.000 0.206 473 K C 1.887 178.442 176.600 -0.076 0.000 1.048 473 K CA 1.822 58.035 56.287 -0.123 0.000 0.933 473 K CB -0.814 31.799 32.500 0.189 0.000 0.721 473 K HN 0.336 nan 8.250 nan 0.000 0.447 474 W N 1.169 122.411 121.300 -0.096 0.000 2.413 474 W HA -0.103 4.557 4.660 -0.000 0.000 0.315 474 W C 2.063 178.563 176.519 -0.031 0.000 1.186 474 W CA 1.534 58.827 57.345 -0.085 0.000 1.326 474 W CB -0.649 28.740 29.460 -0.118 0.000 1.153 474 W HN -0.112 nan 8.180 nan 0.000 0.489 475 S N -0.172 115.389 115.700 -0.232 0.000 2.420 475 S HA -0.277 4.193 4.470 -0.000 0.000 0.237 475 S C 1.841 176.270 174.600 -0.285 0.000 1.023 475 S CA 1.453 59.477 58.200 -0.294 0.000 0.991 475 S CB -1.231 61.900 63.200 -0.116 0.000 0.792 475 S HN 0.391 nan 8.310 nan 0.000 0.488 476 C N 2.140 121.227 119.300 -0.356 0.000 2.409 476 C HA -0.026 4.434 4.460 -0.000 0.000 0.284 476 C C 2.480 177.325 174.990 -0.241 0.000 1.354 476 C CA 0.375 59.175 59.018 -0.363 0.000 1.787 476 C CB -1.004 26.392 27.740 -0.574 0.000 1.900 476 C HN 0.573 nan 8.230 nan 0.000 0.520 477 K N 0.100 120.374 120.400 -0.211 0.000 2.209 477 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 477 K C 1.467 177.950 176.600 -0.195 0.000 1.048 477 K CA 1.469 57.672 56.287 -0.140 0.000 0.940 477 K CB -0.265 32.207 32.500 -0.047 0.000 0.729 477 K HN 0.552 nan 8.250 nan 0.000 0.451 478 G N 0.745 109.377 108.800 -0.281 0.000 4.644 478 G HA2 0.267 4.227 3.960 -0.000 0.000 0.307 478 G HA3 0.267 4.227 3.960 -0.000 0.000 0.307 478 G C 0.682 175.484 174.900 -0.164 0.000 1.331 478 G CA -0.365 44.531 45.100 -0.339 0.000 1.059 478 G HN 0.019 nan 8.290 nan 0.000 0.590 479 L N -0.103 121.074 121.223 -0.077 0.000 2.418 479 L HA 0.174 4.514 4.340 -0.000 0.000 0.218 479 L C 2.495 179.502 176.870 0.229 0.000 1.125 479 L CA 0.873 55.766 54.840 0.089 0.000 0.835 479 L CB 0.466 42.559 42.059 0.057 0.000 0.953 479 L HN 0.371 nan 8.230 nan 0.000 0.454 480 G N -0.213 108.632 108.800 0.074 0.000 3.042 480 G HA2 0.082 4.042 3.960 -0.000 0.000 0.212 480 G HA3 0.082 4.042 3.960 -0.000 0.000 0.212 480 G C 0.704 175.632 174.900 0.045 0.000 1.166 480 G CA -0.330 44.800 45.100 0.051 0.000 0.767 480 G HN 0.217 nan 8.290 nan 0.000 0.546 481 R N -0.407 120.135 120.500 0.071 0.000 2.700 481 R HA 0.734 5.074 4.340 -0.000 0.000 0.253 481 R C -0.396 175.990 176.300 0.143 0.000 1.091 481 R CA -0.632 55.490 56.100 0.037 0.000 1.104 481 R CB 1.211 31.465 30.300 -0.076 0.000 1.202 481 R HN -0.088 nan 8.270 nan 0.000 0.532 482 K N 0.495 120.939 120.400 0.073 0.000 2.443 482 K HA 0.436 4.756 4.320 -0.000 0.000 0.251 482 K C -0.856 175.760 176.600 0.027 0.000 0.972 482 K CA -0.807 55.539 56.287 0.098 0.000 0.833 482 K CB 2.212 34.726 32.500 0.023 0.000 1.317 482 K HN 0.358 nan 8.250 nan 0.000 0.441 483 I N 3.387 123.964 120.570 0.010 0.000 2.291 483 I HA 0.101 4.271 4.170 -0.000 0.000 0.290 483 I C 0.806 176.952 176.117 0.049 0.000 1.050 483 I CA 0.003 61.296 61.300 -0.013 0.000 1.245 483 I CB 0.494 38.439 38.000 -0.090 0.000 1.405 483 I HN 0.408 nan 8.210 nan 0.000 0.478 484 L N 7.098 128.371 121.223 0.083 0.000 2.616 484 L HA 0.144 4.484 4.340 -0.000 0.000 0.229 484 L C 0.747 177.732 176.870 0.192 0.000 1.110 484 L CA -0.129 54.805 54.840 0.157 0.000 0.884 484 L CB 0.167 42.312 42.059 0.142 0.000 1.115 484 L HN 0.487 nan 8.230 nan 0.000 0.481 485 V N -2.601 117.410 119.914 0.161 0.000 3.133 485 V HA 0.390 4.510 4.120 -0.000 0.000 0.305 485 V C -2.215 174.016 176.094 0.228 0.000 1.084 485 V CA -1.865 60.538 62.300 0.172 0.000 1.089 485 V CB -0.020 31.896 31.823 0.155 0.000 1.073 485 V HN -0.044 nan 8.190 nan 0.000 0.477 486 P HA 0.472 nan 4.420 nan 0.000 0.267 486 P C -0.620 176.940 177.300 0.434 0.000 1.205 486 P CA 0.434 63.730 63.100 0.327 0.000 0.765 486 P CB 0.586 32.449 31.700 0.271 0.000 0.828 487 A N 3.543 126.618 122.820 0.426 0.000 2.498 487 A HA 0.804 5.124 4.320 -0.000 0.000 0.298 487 A C -1.619 176.048 177.584 0.137 0.000 1.075 487 A CA -0.710 51.532 52.037 0.342 0.000 0.714 487 A CB 1.441 20.688 19.000 0.411 0.000 1.299 487 A HN 0.576 nan 8.150 nan 0.000 0.407 488 L N 2.199 123.336 121.223 -0.143 0.000 2.422 488 L HA 0.676 5.016 4.340 -0.000 0.000 0.264 488 L C -1.733 175.094 176.870 -0.071 0.000 0.984 488 L CA -0.657 53.936 54.840 -0.411 0.000 0.819 488 L CB 2.120 43.357 42.059 -1.369 0.000 1.330 488 L HN 0.796 nan 8.230 nan 0.000 0.410 489 M N 4.715 124.316 119.600 0.001 0.000 2.204 489 M HA 0.437 4.917 4.480 -0.000 0.000 0.293 489 M C -1.489 174.845 176.300 0.055 0.000 0.994 489 M CA -0.561 54.814 55.300 0.126 0.000 0.925 489 M CB 1.728 34.419 32.600 0.152 0.000 1.577 489 M HN 0.239 nan 8.290 nan 0.000 0.439 490 V N 3.805 123.753 119.914 0.057 0.000 2.448 490 V HA 0.676 4.796 4.120 -0.000 0.000 0.295 490 V C 0.196 176.322 176.094 0.054 0.000 1.025 490 V CA -0.708 61.616 62.300 0.039 0.000 0.859 490 V CB 1.631 33.462 31.823 0.012 0.000 0.988 490 V HN 0.882 nan 8.190 nan 0.000 0.431 491 T N 1.622 116.209 114.554 0.055 0.000 2.859 491 T HA 0.825 5.175 4.350 -0.000 0.000 0.281 491 T C -0.155 174.443 174.700 -0.169 0.000 1.005 491 T CA -0.595 61.532 62.100 0.045 0.000 1.025 491 T CB 1.906 70.915 68.868 0.236 0.000 0.977 491 T HN 0.982 nan 8.240 nan 0.000 0.458 492 A N 1.829 124.583 122.820 -0.111 0.000 2.260 492 A HA 0.457 4.777 4.320 -0.000 0.000 0.314 492 A C 1.167 178.687 177.584 -0.106 0.000 1.257 492 A CA -0.778 51.165 52.037 -0.157 0.000 0.871 492 A CB 0.455 19.415 19.000 -0.066 0.000 1.166 492 A HN 1.100 nan 8.150 nan 0.000 0.522 493 E N 2.615 122.722 120.200 -0.154 0.000 2.013 493 E HA -0.183 4.167 4.350 -0.000 0.000 0.202 493 E C 0.390 177.018 176.600 0.047 0.000 1.018 493 E CA 1.441 57.873 56.400 0.053 0.000 0.834 493 E CB -0.079 29.686 29.700 0.108 0.000 0.770 493 E HN 0.665 nan 8.360 nan 0.000 0.459 494 K N 1.513 121.927 120.400 0.023 0.000 2.968 494 K HA 0.024 4.344 4.320 -0.000 0.000 0.249 494 K C -0.422 176.165 176.600 -0.022 0.000 1.062 494 K CA 0.000 56.297 56.287 0.017 0.000 1.215 494 K CB -0.075 32.450 32.500 0.043 0.000 1.097 494 K HN 0.092 nan 8.250 nan 0.000 0.462 495 D N 1.321 121.702 120.400 -0.032 0.000 2.365 495 D HA 0.081 4.721 4.640 -0.000 0.000 0.237 495 D C 1.013 177.250 176.300 -0.105 0.000 1.190 495 D CA -0.449 53.509 54.000 -0.070 0.000 0.867 495 D CB 0.494 41.277 40.800 -0.028 0.000 1.050 495 D HN -0.110 nan 8.370 nan 0.000 0.491 496 I N 3.645 124.103 120.570 -0.188 0.000 2.044 496 I HA -0.234 3.936 4.170 -0.000 0.000 0.234 496 I C 1.459 177.482 176.117 -0.158 0.000 1.031 496 I CA 1.352 62.529 61.300 -0.206 0.000 1.305 496 I CB -0.841 36.947 38.000 -0.353 0.000 1.026 496 I HN 0.375 nan 8.210 nan 0.000 0.392 497 V N 1.427 121.225 119.914 -0.194 0.000 2.785 497 V HA 0.329 4.449 4.120 -0.000 0.000 0.300 497 V C 0.354 176.424 176.094 -0.041 0.000 1.062 497 V CA -0.909 61.360 62.300 -0.051 0.000 1.029 497 V CB 1.161 32.990 31.823 0.011 0.000 1.024 497 V HN 0.377 nan 8.190 nan 0.000 0.477 498 L N 2.795 124.062 121.223 0.074 0.000 3.468 498 L HA -0.124 4.216 4.340 -0.000 0.000 0.537 498 L C 0.530 177.415 176.870 0.026 0.000 1.321 498 L CA 0.331 55.198 54.840 0.044 0.000 0.899 498 L CB -1.167 40.896 42.059 0.007 0.000 1.635 498 L HN 0.813 nan 8.230 nan 0.000 0.856 499 R N 0.722 121.238 120.500 0.026 0.000 2.490 499 R HA 0.215 4.555 4.340 -0.000 0.000 0.278 499 R C -0.990 175.335 176.300 0.041 0.000 1.069 499 R CA -1.296 54.817 56.100 0.021 0.000 1.080 499 R CB 0.707 31.009 30.300 0.004 0.000 1.030 499 R HN -0.102 nan 8.270 nan 0.000 0.491 500 P HA -0.277 nan 4.420 nan 0.000 0.216 500 P C 0.370 177.700 177.300 0.050 0.000 1.167 500 P CA 1.713 64.869 63.100 0.093 0.000 0.914 500 P CB 0.099 31.896 31.700 0.162 0.000 0.793 501 E N -0.523 119.695 120.200 0.029 0.000 2.324 501 E HA -0.233 4.117 4.350 -0.000 0.000 0.205 501 E C 1.593 178.196 176.600 0.005 0.000 1.031 501 E CA 1.474 57.878 56.400 0.007 0.000 0.836 501 E CB -1.330 28.367 29.700 -0.004 0.000 0.742 501 E HN 0.345 nan 8.360 nan 0.000 0.491 502 M N 0.930 120.538 119.600 0.013 0.000 2.630 502 M HA 0.025 4.505 4.480 -0.000 0.000 0.254 502 M C 1.582 177.883 176.300 0.002 0.000 1.092 502 M CA 1.240 56.546 55.300 0.010 0.000 1.087 502 M CB -0.216 32.402 32.600 0.029 0.000 1.453 502 M HN 0.282 nan 8.290 nan 0.000 0.509 503 S N 0.472 116.177 115.700 0.009 0.000 2.497 503 S HA 0.005 4.475 4.470 -0.000 0.000 0.218 503 S C 1.661 176.262 174.600 0.001 0.000 1.023 503 S CA -0.155 58.045 58.200 0.000 0.000 0.913 503 S CB -0.245 62.967 63.200 0.019 0.000 0.800 503 S HN 0.525 nan 8.310 nan 0.000 0.505 504 K N 2.339 122.740 120.400 0.002 0.000 2.148 504 K HA -0.281 4.039 4.320 -0.000 0.000 0.213 504 K C 1.451 178.052 176.600 0.001 0.000 1.050 504 K CA 2.272 58.558 56.287 -0.002 0.000 0.932 504 K CB -0.848 31.647 32.500 -0.008 0.000 0.717 504 K HN 0.436 nan 8.250 nan 0.000 0.462 505 N N 0.053 118.759 118.700 0.009 0.000 2.416 505 N HA 0.097 4.837 4.740 -0.000 0.000 0.177 505 N C 1.596 177.145 175.510 0.064 0.000 1.036 505 N CA 0.686 53.749 53.050 0.023 0.000 0.901 505 N CB -0.058 38.452 38.487 0.038 0.000 0.976 505 N HN 0.124 nan 8.380 nan 0.000 0.444 506 M N 1.094 120.736 119.600 0.071 0.000 2.186 506 M HA -0.309 4.171 4.480 -0.000 0.000 0.249 506 M C 1.255 177.638 176.300 0.137 0.000 1.081 506 M CA 1.662 57.029 55.300 0.113 0.000 1.072 506 M CB -0.172 32.422 32.600 -0.011 0.000 1.318 506 M HN 0.251 nan 8.290 nan 0.000 0.405 507 E N 0.415 120.637 120.200 0.036 0.000 2.472 507 E HA -0.196 4.154 4.350 -0.000 0.000 0.200 507 E C 1.349 177.904 176.600 -0.074 0.000 1.046 507 E CA 1.133 57.522 56.400 -0.019 0.000 0.871 507 E CB -0.552 29.124 29.700 -0.040 0.000 0.806 507 E HN 0.725 nan 8.360 nan 0.000 0.533 508 K N -0.040 120.302 120.400 -0.098 0.000 2.288 508 K HA -0.100 4.220 4.320 -0.000 0.000 0.201 508 K C 1.203 177.545 176.600 -0.429 0.000 1.048 508 K CA 0.973 57.067 56.287 -0.321 0.000 0.956 508 K CB -0.186 32.030 32.500 -0.472 0.000 0.746 508 K HN 0.180 nan 8.250 nan 0.000 0.461 509 W N 1.125 122.399 121.300 -0.043 0.000 2.792 509 W HA 0.349 5.009 4.660 -0.000 0.000 0.262 509 W C 0.503 176.970 176.519 -0.087 0.000 1.212 509 W CA -0.517 56.827 57.345 -0.003 0.000 1.433 509 W CB 0.582 30.167 29.460 0.209 0.000 1.004 509 W HN -0.194 nan 8.180 nan 0.000 0.608 510 I N 2.707 123.346 120.570 0.115 0.000 2.697 510 I HA 0.218 4.388 4.170 -0.000 0.000 0.279 510 I C -2.206 173.821 176.117 -0.151 0.000 1.171 510 I CA -2.030 59.251 61.300 -0.031 0.000 1.135 510 I CB 0.532 38.511 38.000 -0.035 0.000 1.445 510 I HN -0.454 nan 8.210 nan 0.000 0.541 511 P HA 0.222 nan 4.420 nan 0.000 0.274 511 P C 0.140 177.065 177.300 -0.626 0.000 1.246 511 P CA 0.110 62.830 63.100 -0.633 0.000 0.795 511 P CB 0.465 31.511 31.700 -1.090 0.000 1.006 512 F N -4.372 115.611 119.950 0.055 0.000 2.705 512 F HA -0.216 4.311 4.527 -0.000 0.000 0.413 512 F C 0.856 176.713 175.800 0.095 0.000 0.588 512 F CA -0.276 57.768 58.000 0.073 0.000 1.187 512 F CB -2.290 36.758 39.000 0.080 0.000 1.737 512 F HN 0.240 nan 8.300 nan 0.000 0.285 513 L N 3.336 124.662 121.223 0.171 0.000 2.628 513 L HA -0.010 4.330 4.340 -0.000 0.000 0.274 513 L C 0.919 177.874 176.870 0.141 0.000 1.209 513 L CA 0.865 55.792 54.840 0.146 0.000 0.930 513 L CB 0.352 42.451 42.059 0.067 0.000 1.183 513 L HN 0.069 nan 8.230 nan 0.000 0.492 514 K N 5.671 126.158 120.400 0.145 0.000 2.098 514 K HA 0.495 4.815 4.320 -0.000 0.000 0.244 514 K C -0.477 176.154 176.600 0.050 0.000 1.014 514 K CA -0.654 55.702 56.287 0.114 0.000 0.917 514 K CB 1.267 33.858 32.500 0.152 0.000 1.072 514 K HN 0.642 nan 8.250 nan 0.000 0.477 515 R N -1.329 119.199 120.500 0.047 0.000 2.680 515 R HA 0.511 4.851 4.340 -0.000 0.000 0.269 515 R C -0.862 175.467 176.300 0.048 0.000 1.026 515 R CA -0.578 55.545 56.100 0.039 0.000 0.889 515 R CB 2.234 32.569 30.300 0.058 0.000 1.241 515 R HN 0.833 nan 8.270 nan 0.000 0.463 516 G N 0.050 108.884 108.800 0.057 0.000 2.672 516 G HA2 0.550 4.510 3.960 -0.000 0.000 0.292 516 G HA3 0.550 4.510 3.960 -0.000 0.000 0.292 516 G C -2.042 172.943 174.900 0.142 0.000 1.375 516 G CA -0.312 44.837 45.100 0.080 0.000 0.890 516 G HN 0.580 nan 8.290 nan 0.000 0.476 517 H N -0.771 118.315 119.070 0.027 0.000 3.087 517 H HA 0.560 5.116 4.556 -0.000 0.000 0.348 517 H C -1.186 174.159 175.328 0.028 0.000 1.092 517 H CA -0.609 55.455 56.048 0.027 0.000 1.285 517 H CB 1.395 31.172 29.762 0.024 0.000 1.875 517 H HN 0.450 nan 8.280 nan 0.000 0.512 518 I N 4.501 124.780 120.570 -0.485 0.000 2.433 518 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 518 I C 0.099 176.040 176.117 -0.294 0.000 1.001 518 I CA -0.926 60.222 61.300 -0.254 0.000 1.119 518 I CB 1.708 39.623 38.000 -0.142 0.000 1.289 518 I HN 0.533 nan 8.210 nan 0.000 0.438 519 E N 4.125 124.284 120.200 -0.068 0.000 2.385 519 E HA 0.097 4.447 4.350 -0.000 0.000 0.254 519 E C -0.217 176.384 176.600 0.002 0.000 1.228 519 E CA -0.550 55.858 56.400 0.013 0.000 0.956 519 E CB 0.386 30.129 29.700 0.071 0.000 1.116 519 E HN 0.565 nan 8.360 nan 0.000 0.507 520 D N -0.573 119.845 120.400 0.030 0.000 2.755 520 D HA -0.211 4.428 4.640 -0.000 0.000 0.228 520 D C -0.297 176.020 176.300 0.027 0.000 1.172 520 D CA 0.714 54.734 54.000 0.034 0.000 0.630 520 D CB -1.321 39.499 40.800 0.033 0.000 1.040 520 D HN 0.244 nan 8.370 nan 0.000 0.418 521 C N -0.049 119.255 119.300 0.008 0.000 2.455 521 C HA 0.661 5.121 4.460 -0.000 0.000 0.320 521 C C 1.242 176.240 174.990 0.014 0.000 1.226 521 C CA 0.132 59.155 59.018 0.007 0.000 1.569 521 C CB 1.113 28.834 27.740 -0.033 0.000 2.200 521 C HN 0.405 nan 8.230 nan 0.000 0.491 522 G N 2.121 110.949 108.800 0.046 0.000 2.714 522 G HA2 0.183 4.143 3.960 -0.000 0.000 0.197 522 G HA3 0.183 4.143 3.960 -0.000 0.000 0.197 522 G C 0.639 175.521 174.900 -0.029 0.000 1.449 522 G CA 0.343 45.458 45.100 0.024 0.000 1.065 522 G HN 0.913 nan 8.290 nan 0.000 0.575 523 H N -1.140 117.739 119.070 -0.319 0.000 2.428 523 H HA 0.028 4.584 4.556 -0.000 0.000 0.296 523 H C 0.627 175.772 175.328 -0.306 0.000 1.062 523 H CA 0.540 56.296 56.048 -0.487 0.000 1.350 523 H CB -0.050 29.151 29.762 -0.935 0.000 1.403 523 H HN 0.420 nan 8.280 nan 0.000 0.533 524 W N 2.004 123.398 121.300 0.156 0.000 1.664 524 W HA 0.205 4.865 4.660 -0.000 0.000 0.428 524 W C 0.989 177.473 176.519 -0.059 0.000 0.726 524 W CA -0.235 57.111 57.345 0.000 0.000 1.774 524 W CB 0.112 29.594 29.460 0.036 0.000 1.801 524 W HN 0.044 nan 8.180 nan 0.000 0.243 525 T N -0.114 114.489 114.554 0.083 0.000 2.674 525 T HA -0.308 4.042 4.350 -0.000 0.000 0.265 525 T C 1.695 176.383 174.700 -0.019 0.000 1.039 525 T CA 1.807 63.924 62.100 0.027 0.000 1.150 525 T CB -0.169 68.724 68.868 0.041 0.000 0.864 525 T HN 0.328 nan 8.240 nan 0.000 0.427 526 Q N 1.169 120.917 119.800 -0.087 0.000 2.077 526 Q HA -0.041 4.299 4.340 -0.000 0.000 0.206 526 Q C 2.225 178.157 176.000 -0.114 0.000 0.989 526 Q CA 1.536 57.279 55.803 -0.100 0.000 0.853 526 Q CB -0.729 27.864 28.738 -0.241 0.000 0.907 526 Q HN 0.523 nan 8.270 nan 0.000 0.418 527 I N 0.059 120.556 120.570 -0.123 0.000 2.617 527 I HA -0.121 4.049 4.170 -0.000 0.000 0.256 527 I C 2.281 178.312 176.117 -0.144 0.000 1.167 527 I CA 0.958 62.169 61.300 -0.148 0.000 1.469 527 I CB -0.084 37.806 38.000 -0.182 0.000 1.098 527 I HN 0.203 nan 8.210 nan 0.000 0.436 528 E N 0.806 120.979 120.200 -0.045 0.000 2.166 528 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 528 E C 0.434 176.994 176.600 -0.066 0.000 0.967 528 E CA 0.604 56.993 56.400 -0.019 0.000 0.840 528 E CB 0.556 30.303 29.700 0.079 0.000 0.795 528 E HN 0.065 nan 8.360 nan 0.000 0.470 529 K N 0.681 121.038 120.400 -0.071 0.000 2.954 529 K HA 0.199 4.519 4.320 -0.000 0.000 0.171 529 K C -2.251 174.298 176.600 -0.085 0.000 1.079 529 K CA -1.567 54.678 56.287 -0.070 0.000 0.908 529 K CB 1.512 33.991 32.500 -0.035 0.000 1.142 529 K HN 0.091 nan 8.250 nan 0.000 0.613 530 P HA -0.184 nan 4.420 nan 0.000 0.213 530 P C 1.515 178.781 177.300 -0.056 0.000 1.170 530 P CA 1.528 64.539 63.100 -0.149 0.000 0.893 530 P CB 0.173 31.624 31.700 -0.415 0.000 0.784 531 T N 0.226 114.736 114.554 -0.073 0.000 2.720 531 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 531 T C 1.811 176.513 174.700 0.004 0.000 1.037 531 T CA 1.899 63.987 62.100 -0.020 0.000 1.144 531 T CB -0.726 68.126 68.868 -0.027 0.000 0.864 531 T HN 0.166 nan 8.240 nan 0.000 0.444 532 E N 0.849 121.045 120.200 -0.007 0.000 2.072 532 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 532 E C 2.464 179.080 176.600 0.027 0.000 0.985 532 E CA 1.034 57.440 56.400 0.010 0.000 0.801 532 E CB -1.062 28.638 29.700 -0.000 0.000 0.750 532 E HN 0.515 nan 8.360 nan 0.000 0.452 533 V N 2.511 122.440 119.914 0.025 0.000 2.343 533 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 533 V C 2.031 178.173 176.094 0.080 0.000 1.051 533 V CA 1.942 64.274 62.300 0.054 0.000 1.036 533 V CB -0.697 31.165 31.823 0.065 0.000 0.654 533 V HN 0.193 nan 8.190 nan 0.000 0.451 534 N N -0.049 118.695 118.700 0.074 0.000 2.058 534 N HA -0.188 4.552 4.740 -0.000 0.000 0.191 534 N C 1.905 177.465 175.510 0.083 0.000 1.037 534 N CA 1.511 54.613 53.050 0.086 0.000 0.848 534 N CB -0.410 38.125 38.487 0.079 0.000 1.021 534 N HN 0.534 nan 8.380 nan 0.000 0.422 535 Q N 0.385 120.225 119.800 0.068 0.000 2.029 535 Q HA -0.120 4.220 4.340 -0.000 0.000 0.209 535 Q C 2.111 178.165 176.000 0.089 0.000 0.999 535 Q CA 1.693 57.538 55.803 0.070 0.000 0.857 535 Q CB -0.206 28.565 28.738 0.055 0.000 0.926 535 Q HN 0.385 nan 8.270 nan 0.000 0.415 536 I N 0.209 120.832 120.570 0.088 0.000 2.127 536 I HA -0.340 3.830 4.170 -0.000 0.000 0.241 536 I C 2.265 178.476 176.117 0.156 0.000 1.075 536 I CA 1.167 62.531 61.300 0.107 0.000 1.334 536 I CB -0.431 37.616 38.000 0.079 0.000 1.040 536 I HN 0.257 nan 8.210 nan 0.000 0.405 537 L N 0.331 121.644 121.223 0.149 0.000 2.042 537 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 537 L C 2.575 179.564 176.870 0.199 0.000 1.076 537 L CA 1.575 56.538 54.840 0.205 0.000 0.749 537 L CB -0.361 41.789 42.059 0.153 0.000 0.893 537 L HN 0.239 nan 8.230 nan 0.000 0.432 538 I N -0.459 120.189 120.570 0.131 0.000 2.163 538 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 538 I C 2.481 178.670 176.117 0.120 0.000 1.081 538 I CA 1.147 62.510 61.300 0.106 0.000 1.353 538 I CB -0.186 37.877 38.000 0.106 0.000 1.054 538 I HN 0.084 nan 8.210 nan 0.000 0.407 539 K N 0.105 120.587 120.400 0.137 0.000 2.074 539 K HA -0.271 4.049 4.320 -0.000 0.000 0.209 539 K C 1.656 178.360 176.600 0.172 0.000 1.048 539 K CA 1.738 58.107 56.287 0.136 0.000 0.926 539 K CB -0.697 31.884 32.500 0.135 0.000 0.713 539 K HN 0.454 nan 8.250 nan 0.000 0.444 540 W N 0.886 122.205 121.300 0.031 0.000 2.355 540 W HA -0.097 4.563 4.660 -0.000 0.000 0.309 540 W C 1.360 177.887 176.519 0.014 0.000 1.206 540 W CA 1.285 58.647 57.345 0.027 0.000 1.284 540 W CB -0.395 29.079 29.460 0.024 0.000 1.145 540 W HN -0.008 nan 8.180 nan 0.000 0.502 541 L N 0.600 121.686 121.223 -0.228 0.000 2.046 541 L HA -0.274 4.066 4.340 -0.000 0.000 0.208 541 L C 2.896 179.664 176.870 -0.170 0.000 1.077 541 L CA 1.467 56.021 54.840 -0.477 0.000 0.747 541 L CB -0.977 40.773 42.059 -0.514 0.000 0.896 541 L HN 0.081 nan 8.230 nan 0.000 0.432 542 Q N -0.316 119.478 119.800 -0.009 0.000 1.965 542 Q HA -0.178 4.162 4.340 -0.000 0.000 0.200 542 Q C 2.288 178.279 176.000 -0.015 0.000 0.981 542 Q CA 2.230 58.057 55.803 0.040 0.000 0.834 542 Q CB -1.014 27.762 28.738 0.064 0.000 0.900 542 Q HN 0.637 nan 8.270 nan 0.000 0.426 543 T N -0.789 113.760 114.554 -0.008 0.000 2.597 543 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 543 T C 1.010 175.681 174.700 -0.050 0.000 1.053 543 T CA 1.588 63.688 62.100 0.000 0.000 1.165 543 T CB -0.126 68.778 68.868 0.062 0.000 0.863 543 T HN 0.155 nan 8.240 nan 0.000 0.427 544 E N 0.000 120.106 120.200 -0.156 0.000 2.725 544 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 544 E CA 0.000 56.292 56.400 -0.179 0.000 0.976 544 E CB 0.000 29.640 29.700 -0.099 0.000 0.812 544 E HN 0.000 nan 8.360 nan 0.000 0.440