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 3gyr_1_A DATA FIRST_RESID 37 DATA SEQUENCE APGELTPFAA PLTVPPVLRP ASDEVTRETE IALRPTWVRL HPQLPPTLMW DATA SEQUENCE GYDGQVPGPT IEVRRGQRVR IAWTNRIPKG SEYPVTSVEV PLGPPGTPAP DATA SEQUENCE NTEPGRGGVE PNKDVAALPA WSVTHLHGAQ TGGGNDGWAD NAVGFGDAQL DATA SEQUENCE SEYPNDHQAT QWWYHDHAMN ITRWNVMAGL YGTYLVRDDE EDALGLPSGD DATA SEQUENCE REIPLLIADR NLDTDEDGRL NGRLLHKTVI VQQSNPETGK PVSIPFFGPY DATA SEQUENCE TTVNGRIWPY ADVDDGWYRL RLVNASNARI YNLVLIDEDD RPVPGVVHQI DATA SEQUENCE GSDGGLLPRP VPVDFDDTLP VLSAAPAERF DLLVDFRALG GRRLRLVDKG DATA SEQUENCE PGAPAGTPDP LGGVRYPEVM EFRVRETCEE DSFALPEVLS GSFRRMSHDI DATA SEQUENCE PHGHRLIVLT PPGTKGSGGH PEIWEMAEVE XXXXXQVPAE GVIQVTGADG DATA SEQUENCE RTKTYRRTAR TFNDGLGFTI GEGTHEQWTF LNLSPILHPM HIHLADFQVL DATA SEQUENCE GRDAYDASGF DLALGGTRTP VRLDPDTPVP LAPNELGHKD VFQVPGPQGL DATA SEQUENCE RVMGKFDGAY GRFMYHCHLL EHEDMGMMRP FVVMPPEALK FD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.610 177.584 0.043 0.000 1.274 37 A CA 0.000 52.065 52.037 0.046 0.000 0.836 37 A CB 0.000 19.035 19.000 0.058 0.000 0.831 38 P HA 0.344 nan 4.420 nan 0.000 0.260 38 P C 0.946 178.271 177.300 0.042 0.000 1.172 38 P CA 1.953 65.072 63.100 0.032 0.000 0.760 38 P CB 0.180 31.896 31.700 0.027 0.000 0.773 39 G N 1.816 110.636 108.800 0.034 0.000 2.143 39 G HA2 -0.221 3.740 3.960 0.001 0.000 0.249 39 G HA3 -0.221 3.740 3.960 0.001 0.000 0.249 39 G C -0.048 174.876 174.900 0.041 0.000 0.981 39 G CA -0.221 44.899 45.100 0.033 0.000 0.665 39 G HN 0.600 nan 8.290 nan 0.000 0.528 40 E N -0.372 119.853 120.200 0.043 0.000 2.214 40 E HA 0.586 4.937 4.350 0.001 0.000 0.274 40 E C 0.634 177.221 176.600 -0.023 0.000 0.977 40 E CA -0.862 55.565 56.400 0.045 0.000 0.827 40 E CB 1.262 31.014 29.700 0.087 0.000 1.130 40 E HN 0.291 nan 8.360 nan 0.000 0.394 41 L N 1.798 122.968 121.223 -0.088 0.000 2.397 41 L HA 0.172 4.512 4.340 0.001 0.000 0.271 41 L C 0.394 177.247 176.870 -0.029 0.000 1.148 41 L CA -0.190 54.515 54.840 -0.225 0.000 0.825 41 L CB 0.429 42.101 42.059 -0.645 0.000 1.117 41 L HN 0.450 nan 8.230 nan 0.000 0.456 42 T N 3.936 118.522 114.554 0.053 0.000 2.761 42 T HA 0.228 4.579 4.350 0.001 0.000 0.296 42 T C -2.254 172.564 174.700 0.197 0.000 0.934 42 T CA -0.995 61.168 62.100 0.105 0.000 1.091 42 T CB 0.663 69.599 68.868 0.113 0.000 0.896 42 T HN 0.364 nan 8.240 nan 0.000 0.515 43 P HA 0.202 nan 4.420 nan 0.000 0.271 43 P C 0.021 177.147 177.300 -0.290 0.000 1.216 43 P CA -0.299 62.578 63.100 -0.371 0.000 0.776 43 P CB -0.025 30.893 31.700 -1.303 0.000 0.881 44 F N -1.047 119.084 119.950 0.301 0.000 3.023 44 F HA -0.237 4.291 4.527 0.001 0.000 0.297 44 F C 1.246 177.219 175.800 0.290 0.000 0.858 44 F CA 0.097 58.256 58.000 0.265 0.000 1.222 44 F CB -2.338 36.757 39.000 0.158 0.000 1.263 44 F HN 0.368 nan 8.300 nan 0.000 0.565 45 A N -0.412 122.591 122.820 0.305 0.000 2.132 45 A HA 0.647 4.967 4.320 0.001 0.000 0.213 45 A C 1.156 178.839 177.584 0.165 0.000 1.154 45 A CA 1.004 53.144 52.037 0.172 0.000 0.753 45 A CB 0.135 19.149 19.000 0.023 0.000 0.826 45 A HN 0.917 nan 8.150 nan 0.000 0.469 46 A N 0.020 122.896 122.820 0.093 0.000 2.475 46 A HA 0.717 5.038 4.320 0.001 0.000 0.301 46 A C -3.170 174.116 177.584 -0.496 0.000 1.059 46 A CA -1.920 50.062 52.037 -0.093 0.000 0.710 46 A CB 1.148 20.043 19.000 -0.175 0.000 1.288 46 A HN 0.036 nan 8.150 nan 0.000 0.408 47 P HA 0.315 nan 4.420 nan 0.000 0.274 47 P C -0.235 176.784 177.300 -0.468 0.000 1.231 47 P CA -0.370 62.148 63.100 -0.969 0.000 0.790 47 P CB 0.508 31.885 31.700 -0.538 0.000 0.951 48 L N 2.658 123.638 121.223 -0.406 0.000 2.490 48 L HA 0.196 4.536 4.340 0.001 0.000 0.274 48 L C 0.490 177.281 176.870 -0.131 0.000 1.201 48 L CA 1.087 55.802 54.840 -0.208 0.000 0.869 48 L CB -0.224 41.730 42.059 -0.176 0.000 1.123 48 L HN 0.579 nan 8.230 nan 0.000 0.484 49 T N 2.426 116.932 114.554 -0.079 0.000 2.949 49 T HA 0.790 5.141 4.350 0.001 0.000 0.287 49 T C -0.293 174.399 174.700 -0.013 0.000 1.034 49 T CA -0.287 61.789 62.100 -0.041 0.000 1.018 49 T CB 1.622 70.471 68.868 -0.031 0.000 1.135 49 T HN 0.776 nan 8.240 nan 0.000 0.532 50 V N -1.942 117.976 119.914 0.005 0.000 2.823 50 V HA 0.763 4.883 4.120 0.001 0.000 0.312 50 V C -3.008 173.100 176.094 0.024 0.000 1.072 50 V CA -2.707 59.606 62.300 0.022 0.000 0.937 50 V CB 0.751 32.596 31.823 0.037 0.000 1.013 50 V HN 0.800 nan 8.190 nan 0.000 0.430 51 P HA 0.285 nan 4.420 nan 0.000 0.268 51 P C -2.556 174.770 177.300 0.043 0.000 1.208 51 P CA -0.631 62.491 63.100 0.037 0.000 0.777 51 P CB -0.246 31.483 31.700 0.048 0.000 0.875 52 P HA -0.010 nan 4.420 nan 0.000 0.269 52 P C -0.675 176.651 177.300 0.043 0.000 1.215 52 P CA 0.186 63.310 63.100 0.040 0.000 0.780 52 P CB 0.436 32.160 31.700 0.040 0.000 0.898 53 V N 3.479 123.410 119.914 0.029 0.000 2.465 53 V HA 0.160 4.280 4.120 0.001 0.000 0.279 53 V C 0.512 176.609 176.094 0.006 0.000 1.045 53 V CA -0.315 61.996 62.300 0.019 0.000 0.938 53 V CB 0.879 32.706 31.823 0.008 0.000 0.986 53 V HN 0.400 nan 8.190 nan 0.000 0.467 54 L N 6.718 127.939 121.223 -0.005 0.000 2.313 54 L HA 0.581 4.921 4.340 0.001 0.000 0.283 54 L C -0.019 176.812 176.870 -0.064 0.000 1.013 54 L CA -0.098 54.724 54.840 -0.029 0.000 0.816 54 L CB 1.432 43.475 42.059 -0.027 0.000 1.236 54 L HN 0.541 nan 8.230 nan 0.000 0.419 55 R N 6.225 126.690 120.500 -0.059 0.000 2.335 55 R HA 0.385 4.725 4.340 0.001 0.000 0.302 55 R C -1.756 174.505 176.300 -0.065 0.000 1.147 55 R CA -1.229 54.829 56.100 -0.070 0.000 1.111 55 R CB 0.840 31.108 30.300 -0.052 0.000 1.122 55 R HN 0.542 nan 8.270 nan 0.000 0.557 56 P HA 0.053 nan 4.420 nan 0.000 0.249 56 P C -0.055 177.219 177.300 -0.043 0.000 1.229 56 P CA 0.177 63.237 63.100 -0.067 0.000 0.788 56 P CB 0.498 32.150 31.700 -0.080 0.000 1.072 57 A N 0.809 123.607 122.820 -0.036 0.000 2.401 57 A HA 0.507 4.828 4.320 0.001 0.000 0.259 57 A C 0.520 178.094 177.584 -0.017 0.000 1.103 57 A CA 0.124 52.151 52.037 -0.017 0.000 0.789 57 A CB 0.063 19.056 19.000 -0.012 0.000 1.035 57 A HN 0.312 nan 8.150 nan 0.000 0.491 58 S N 0.649 116.343 115.700 -0.011 0.000 2.596 58 S HA 0.433 4.904 4.470 0.001 0.000 0.270 58 S C -0.187 174.408 174.600 -0.007 0.000 1.155 58 S CA -0.459 57.734 58.200 -0.012 0.000 0.827 58 S CB 1.102 64.291 63.200 -0.018 0.000 1.130 58 S HN 0.464 nan 8.310 nan 0.000 0.467 59 D N 0.933 121.329 120.400 -0.007 0.000 2.182 59 D HA -0.002 4.639 4.640 0.001 0.000 0.201 59 D C 0.366 176.663 176.300 -0.005 0.000 0.986 59 D CA 1.324 55.321 54.000 -0.005 0.000 0.847 59 D CB 0.007 40.804 40.800 -0.005 0.000 0.942 59 D HN 0.727 nan 8.370 nan 0.000 0.467 60 E N 0.494 120.689 120.200 -0.009 0.000 2.070 60 E HA 0.151 4.502 4.350 0.001 0.000 0.261 60 E C 0.705 177.297 176.600 -0.013 0.000 0.926 60 E CA -0.258 56.136 56.400 -0.010 0.000 0.760 60 E CB 1.361 31.053 29.700 -0.013 0.000 1.133 60 E HN -0.201 nan 8.360 nan 0.000 0.420 61 V N 3.624 123.532 119.914 -0.009 0.000 2.626 61 V HA -0.186 3.935 4.120 0.001 0.000 0.252 61 V C 1.897 177.979 176.094 -0.020 0.000 1.067 61 V CA 2.535 64.829 62.300 -0.010 0.000 1.081 61 V CB -0.227 31.595 31.823 -0.001 0.000 0.686 61 V HN 0.851 nan 8.190 nan 0.000 0.468 62 T N -1.797 112.745 114.554 -0.020 0.000 3.113 62 T HA -0.086 4.265 4.350 0.001 0.000 0.263 62 T C 1.238 175.919 174.700 -0.032 0.000 1.143 62 T CA 0.282 62.367 62.100 -0.025 0.000 1.090 62 T CB -0.460 68.395 68.868 -0.020 0.000 0.922 62 T HN 0.468 nan 8.240 nan 0.000 0.521 63 R N 1.976 122.457 120.500 -0.032 0.000 2.308 63 R HA 0.227 4.568 4.340 0.001 0.000 0.325 63 R C -0.522 175.748 176.300 -0.051 0.000 1.161 63 R CA -0.267 55.810 56.100 -0.037 0.000 1.022 63 R CB 0.227 30.508 30.300 -0.031 0.000 1.091 63 R HN 0.509 nan 8.270 nan 0.000 0.497 64 E N 1.370 121.532 120.200 -0.063 0.000 2.392 64 E HA 0.048 4.398 4.350 0.001 0.000 0.259 64 E C -0.426 176.115 176.600 -0.098 0.000 1.108 64 E CA 0.114 56.461 56.400 -0.089 0.000 0.916 64 E CB 0.886 30.523 29.700 -0.103 0.000 0.989 64 E HN 0.369 nan 8.360 nan 0.000 0.432 65 T N 1.900 116.375 114.554 -0.133 0.000 2.728 65 T HA 0.084 4.435 4.350 0.001 0.000 0.296 65 T C -0.160 174.426 174.700 -0.190 0.000 0.940 65 T CA -0.390 61.623 62.100 -0.145 0.000 1.013 65 T CB 0.538 69.311 68.868 -0.159 0.000 0.912 65 T HN 0.387 nan 8.240 nan 0.000 0.484 66 E N 4.120 124.239 120.200 -0.135 0.000 2.259 66 E HA 0.259 4.609 4.350 0.001 0.000 0.281 66 E C -0.763 175.764 176.600 -0.122 0.000 1.037 66 E CA -0.390 55.936 56.400 -0.124 0.000 0.854 66 E CB 0.431 30.090 29.700 -0.068 0.000 1.051 66 E HN 0.560 nan 8.360 nan 0.000 0.409 67 I N 4.277 124.759 120.570 -0.146 0.000 2.359 67 I HA 0.315 4.486 4.170 0.001 0.000 0.284 67 I C -0.260 175.943 176.117 0.144 0.000 1.018 67 I CA -0.716 60.568 61.300 -0.028 0.000 1.173 67 I CB 1.486 39.392 38.000 -0.158 0.000 1.326 67 I HN 0.526 nan 8.210 nan 0.000 0.462 68 A N 7.586 130.482 122.820 0.127 0.000 2.269 68 A HA 0.608 4.929 4.320 0.001 0.000 0.302 68 A C -0.437 177.231 177.584 0.140 0.000 1.266 68 A CA -0.502 51.600 52.037 0.109 0.000 0.894 68 A CB 0.224 19.255 19.000 0.053 0.000 1.147 68 A HN 0.599 nan 8.150 nan 0.000 0.537 69 L N 3.887 125.178 121.223 0.113 0.000 2.418 69 L HA 0.302 4.642 4.340 0.001 0.000 0.274 69 L C 0.808 177.632 176.870 -0.076 0.000 1.135 69 L CA 1.114 55.946 54.840 -0.012 0.000 0.870 69 L CB -0.117 41.888 42.059 -0.091 0.000 1.154 69 L HN 0.755 nan 8.230 nan 0.000 0.462 70 R N 3.240 123.697 120.500 -0.072 0.000 2.725 70 R HA 0.609 4.950 4.340 0.001 0.000 0.277 70 R C -2.786 173.473 176.300 -0.068 0.000 0.987 70 R CA -2.165 53.892 56.100 -0.072 0.000 0.901 70 R CB 0.954 31.259 30.300 0.008 0.000 1.207 70 R HN 0.197 nan 8.270 nan 0.000 0.463 71 P HA 0.027 nan 4.420 nan 0.000 0.267 71 P C -0.469 176.839 177.300 0.013 0.000 1.200 71 P CA 0.150 63.278 63.100 0.046 0.000 0.772 71 P CB 0.808 32.536 31.700 0.046 0.000 0.855 72 T N 1.217 115.725 114.554 -0.077 0.000 2.840 72 T HA 0.531 4.881 4.350 0.001 0.000 0.317 72 T C -2.159 172.390 174.700 -0.251 0.000 1.401 72 T CA -0.599 61.472 62.100 -0.049 0.000 1.028 72 T CB 0.429 69.308 68.868 0.019 0.000 1.317 72 T HN 0.151 nan 8.240 nan 0.000 0.495 73 W N 2.616 123.938 121.300 0.036 0.000 2.429 73 W HA 0.683 5.344 4.660 0.001 0.000 0.314 73 W C -0.763 175.762 176.519 0.010 0.000 1.062 73 W CA -0.491 56.866 57.345 0.019 0.000 1.211 73 W CB 1.730 31.199 29.460 0.014 0.000 1.305 73 W HN 0.444 nan 8.180 nan 0.000 0.476 74 V N 3.994 124.010 119.914 0.171 0.000 2.540 74 V HA 0.402 4.523 4.120 0.001 0.000 0.302 74 V C -0.288 175.862 176.094 0.094 0.000 1.035 74 V CA -1.302 61.053 62.300 0.092 0.000 0.873 74 V CB 1.782 33.617 31.823 0.021 0.000 0.992 74 V HN 0.288 nan 8.190 nan 0.000 0.428 75 R N 3.580 124.119 120.500 0.065 0.000 2.408 75 R HA 0.421 4.762 4.340 0.001 0.000 0.308 75 R C 0.807 177.114 176.300 0.011 0.000 1.210 75 R CA -0.041 56.084 56.100 0.042 0.000 1.115 75 R CB -0.267 30.047 30.300 0.024 0.000 1.127 75 R HN 0.791 nan 8.270 nan 0.000 0.523 76 L N 1.267 122.494 121.223 0.007 0.000 2.127 76 L HA -0.107 4.234 4.340 0.001 0.000 0.211 76 L C 0.720 177.594 176.870 0.008 0.000 1.089 76 L CA 1.210 56.039 54.840 -0.018 0.000 0.757 76 L CB -0.226 41.797 42.059 -0.061 0.000 0.899 76 L HN 0.624 nan 8.230 nan 0.000 0.434 77 H N -2.476 116.537 119.070 -0.095 0.000 3.140 77 H HA 0.122 4.679 4.556 0.002 0.000 0.336 77 H C -2.268 173.027 175.328 -0.056 0.000 1.142 77 H CA -1.094 54.897 56.048 -0.095 0.000 1.308 77 H CB 2.138 31.800 29.762 -0.167 0.000 1.970 77 H HN -0.310 nan 8.280 nan 0.000 0.521 78 P HA -0.130 nan 4.420 nan 0.000 0.218 78 P C 0.784 178.133 177.300 0.081 0.000 1.146 78 P CA 1.426 64.481 63.100 -0.075 0.000 0.820 78 P CB 0.304 31.919 31.700 -0.141 0.000 0.778 79 Q N -1.697 118.293 119.800 0.317 0.000 2.360 79 Q HA 0.162 4.502 4.340 0.001 0.000 0.202 79 Q C 0.489 176.532 176.000 0.071 0.000 0.915 79 Q CA -0.017 55.901 55.803 0.191 0.000 0.943 79 Q CB 0.110 28.961 28.738 0.189 0.000 1.064 79 Q HN 0.310 nan 8.270 nan 0.000 0.511 80 L N 1.499 122.762 121.223 0.067 0.000 2.358 80 L HA 0.450 4.791 4.340 0.001 0.000 0.268 80 L C -2.078 174.802 176.870 0.017 0.000 1.032 80 L CA -2.357 52.484 54.840 0.001 0.000 0.805 80 L CB 0.799 42.836 42.059 -0.037 0.000 1.253 80 L HN -0.078 nan 8.230 nan 0.000 0.452 81 P HA 0.253 nan 4.420 nan 0.000 0.274 81 P C -2.702 174.639 177.300 0.068 0.000 1.256 81 P CA -1.598 61.517 63.100 0.026 0.000 0.795 81 P CB -0.377 31.337 31.700 0.022 0.000 1.038 82 P HA 0.121 nan 4.420 nan 0.000 0.268 82 P C -0.422 177.102 177.300 0.373 0.000 1.208 82 P CA 0.602 63.840 63.100 0.229 0.000 0.777 82 P CB 0.006 31.847 31.700 0.234 0.000 0.875 83 T N 2.970 117.704 114.554 0.301 0.000 2.779 83 T HA 0.318 4.668 4.350 0.001 0.000 0.280 83 T C -0.292 174.303 174.700 -0.175 0.000 0.987 83 T CA -0.483 61.684 62.100 0.112 0.000 0.966 83 T CB 0.427 69.296 68.868 0.002 0.000 0.933 83 T HN 0.167 nan 8.240 nan 0.000 0.442 84 L N 5.508 126.365 121.223 -0.610 0.000 2.477 84 L HA 0.445 4.786 4.340 0.001 0.000 0.272 84 L C -0.474 176.042 176.870 -0.589 0.000 1.157 84 L CA 0.819 54.980 54.840 -1.132 0.000 0.889 84 L CB -0.557 40.866 42.059 -1.061 0.000 1.158 84 L HN 0.661 nan 8.230 nan 0.000 0.473 85 M N 3.658 122.967 119.600 -0.486 0.000 2.704 85 M HA 0.401 4.882 4.480 0.001 0.000 0.284 85 M C -1.489 174.766 176.300 -0.075 0.000 1.275 85 M CA -0.662 54.456 55.300 -0.304 0.000 0.811 85 M CB 2.060 34.564 32.600 -0.160 0.000 1.741 85 M HN 0.367 nan 8.290 nan 0.000 0.458 86 W N 0.757 121.919 121.300 -0.230 0.000 2.475 86 W HA 0.698 5.359 4.660 0.001 0.000 0.317 86 W C -0.160 176.249 176.519 -0.183 0.000 1.046 86 W CA -1.135 56.089 57.345 -0.202 0.000 1.215 86 W CB 1.414 30.746 29.460 -0.213 0.000 1.335 86 W HN 0.667 nan 8.180 nan 0.000 0.471 87 G N 2.314 111.143 108.800 0.048 0.000 2.513 87 G HA2 0.517 4.478 3.960 0.001 0.000 0.317 87 G HA3 0.517 4.478 3.960 0.001 0.000 0.317 87 G C -1.804 173.099 174.900 0.004 0.000 1.277 87 G CA -0.699 44.404 45.100 0.005 0.000 0.955 87 G HN 0.188 nan 8.290 nan 0.000 0.484 88 Y N 1.368 121.769 120.300 0.168 0.000 2.632 88 Y HA 0.055 4.605 4.550 0.001 0.000 0.329 88 Y C 1.132 177.127 175.900 0.158 0.000 1.174 88 Y CA 0.629 58.864 58.100 0.224 0.000 1.469 88 Y CB 0.523 39.221 38.460 0.395 0.000 1.242 88 Y HN 0.638 nan 8.280 nan 0.000 0.540 89 D N 2.259 122.822 120.400 0.270 0.000 2.860 89 D HA -0.214 4.427 4.640 0.001 0.000 0.229 89 D C 1.289 177.660 176.300 0.118 0.000 1.169 89 D CA 1.822 55.916 54.000 0.157 0.000 0.737 89 D CB -1.188 39.697 40.800 0.141 0.000 1.080 89 D HN 1.092 nan 8.370 nan 0.000 0.424 90 G N -1.080 107.783 108.800 0.105 0.000 2.160 90 G HA2 -0.322 3.639 3.960 0.001 0.000 0.251 90 G HA3 -0.322 3.639 3.960 0.001 0.000 0.251 90 G C -0.017 174.928 174.900 0.074 0.000 1.008 90 G CA 0.397 45.542 45.100 0.075 0.000 0.724 90 G HN 0.391 nan 8.290 nan 0.000 0.514 91 Q N -0.640 119.215 119.800 0.092 0.000 2.342 91 Q HA 0.690 5.031 4.340 0.001 0.000 0.267 91 Q C -0.473 175.549 176.000 0.036 0.000 1.038 91 Q CA -0.705 55.139 55.803 0.069 0.000 0.832 91 Q CB 2.808 31.600 28.738 0.090 0.000 1.323 91 Q HN 0.359 nan 8.270 nan 0.000 0.448 92 V N 3.180 123.085 119.914 -0.016 0.000 2.482 92 V HA 0.340 4.461 4.120 0.001 0.000 0.295 92 V C -2.228 173.787 176.094 -0.133 0.000 1.026 92 V CA -1.752 60.481 62.300 -0.112 0.000 0.856 92 V CB 1.787 33.567 31.823 -0.071 0.000 1.001 92 V HN 0.608 nan 8.190 nan 0.000 0.424 93 P HA 0.188 nan 4.420 nan 0.000 0.270 93 P C 0.587 177.803 177.300 -0.140 0.000 1.227 93 P CA 0.202 63.023 63.100 -0.464 0.000 0.788 93 P CB 0.464 31.947 31.700 -0.361 0.000 0.926 94 G N 1.196 109.979 108.800 -0.029 0.000 2.732 94 G HA2 0.215 4.175 3.960 0.001 0.000 0.244 94 G HA3 0.215 4.175 3.960 0.001 0.000 0.244 94 G C -2.412 172.620 174.900 0.221 0.000 1.226 94 G CA -0.732 44.524 45.100 0.260 0.000 0.860 94 G HN 0.341 nan 8.290 nan 0.000 0.583 95 P HA 0.123 nan 4.420 nan 0.000 0.268 95 P C 0.086 177.527 177.300 0.234 0.000 1.208 95 P CA 0.171 63.387 63.100 0.193 0.000 0.777 95 P CB 0.449 32.240 31.700 0.152 0.000 0.875 96 T N 3.554 118.195 114.554 0.146 0.000 2.723 96 T HA 0.307 4.658 4.350 0.001 0.000 0.297 96 T C 0.566 175.321 174.700 0.091 0.000 0.925 96 T CA -0.100 62.088 62.100 0.146 0.000 1.030 96 T CB -0.588 68.332 68.868 0.088 0.000 0.905 96 T HN 0.188 nan 8.240 nan 0.000 0.502 97 I N 3.521 124.155 120.570 0.108 0.000 2.441 97 I HA 0.234 4.405 4.170 0.001 0.000 0.287 97 I C 0.755 176.714 176.117 -0.264 0.000 1.049 97 I CA -0.108 61.122 61.300 -0.117 0.000 1.381 97 I CB 0.708 38.577 38.000 -0.218 0.000 1.409 97 I HN 0.535 nan 8.210 nan 0.000 0.523 98 E N 6.540 126.598 120.200 -0.236 0.000 2.199 98 E HA 0.623 4.974 4.350 0.001 0.000 0.265 98 E C -1.350 175.114 176.600 -0.226 0.000 0.882 98 E CA -0.657 55.611 56.400 -0.220 0.000 0.759 98 E CB 2.044 31.678 29.700 -0.109 0.000 1.148 98 E HN 0.456 nan 8.360 nan 0.000 0.412 99 V N 0.768 120.545 119.914 -0.229 0.000 3.160 99 V HA 0.677 4.798 4.120 0.001 0.000 0.310 99 V C -0.658 175.390 176.094 -0.077 0.000 1.181 99 V CA -1.190 61.030 62.300 -0.133 0.000 1.047 99 V CB 1.884 33.644 31.823 -0.105 0.000 1.068 99 V HN 0.619 nan 8.190 nan 0.000 0.441 100 R N 0.560 121.039 120.500 -0.035 0.000 2.540 100 R HA 0.523 4.864 4.340 0.001 0.000 0.287 100 R C -0.036 176.269 176.300 0.008 0.000 0.980 100 R CA -0.932 55.156 56.100 -0.020 0.000 0.966 100 R CB 1.438 31.729 30.300 -0.014 0.000 1.106 100 R HN 0.765 nan 8.270 nan 0.000 0.480 101 R N 0.756 121.259 120.500 0.005 0.000 2.481 101 R HA -0.148 4.193 4.340 0.001 0.000 0.291 101 R C 0.625 176.951 176.300 0.045 0.000 0.934 101 R CA 1.922 58.041 56.100 0.032 0.000 1.116 101 R CB -0.025 30.284 30.300 0.013 0.000 0.895 101 R HN 1.007 nan 8.270 nan 0.000 0.410 102 G N 2.899 111.744 108.800 0.075 0.000 2.217 102 G HA2 -0.295 3.666 3.960 0.001 0.000 0.246 102 G HA3 -0.295 3.666 3.960 0.001 0.000 0.246 102 G C -0.090 174.851 174.900 0.068 0.000 0.990 102 G CA 0.039 45.181 45.100 0.069 0.000 0.627 102 G HN 0.634 nan 8.290 nan 0.000 0.522 103 Q N 0.864 120.706 119.800 0.068 0.000 2.324 103 Q HA 0.349 4.690 4.340 0.001 0.000 0.257 103 Q C 0.682 176.739 176.000 0.095 0.000 1.080 103 Q CA -0.323 55.517 55.803 0.062 0.000 0.907 103 Q CB 0.646 29.407 28.738 0.039 0.000 1.274 103 Q HN 0.425 nan 8.270 nan 0.000 0.434 104 R N 2.212 122.762 120.500 0.082 0.000 2.449 104 R HA 0.223 4.564 4.340 0.001 0.000 0.296 104 R C -1.026 175.324 176.300 0.084 0.000 1.047 104 R CA 0.035 56.191 56.100 0.093 0.000 1.018 104 R CB 0.484 30.822 30.300 0.064 0.000 0.962 104 R HN 0.337 nan 8.270 nan 0.000 0.428 105 V N 5.500 125.485 119.914 0.120 0.000 2.789 105 V HA 0.467 4.588 4.120 0.001 0.000 0.311 105 V C -0.518 175.602 176.094 0.042 0.000 1.073 105 V CA -0.806 61.556 62.300 0.102 0.000 0.921 105 V CB 2.201 34.136 31.823 0.187 0.000 1.009 105 V HN 0.802 nan 8.190 nan 0.000 0.426 106 R N 4.487 124.970 120.500 -0.028 0.000 2.534 106 R HA 0.743 5.083 4.340 0.001 0.000 0.301 106 R C -1.379 174.824 176.300 -0.162 0.000 0.961 106 R CA -0.561 55.473 56.100 -0.110 0.000 0.871 106 R CB 2.293 32.534 30.300 -0.098 0.000 1.170 106 R HN 0.559 nan 8.270 nan 0.000 0.446 107 I N 1.459 121.870 120.570 -0.264 0.000 2.545 107 I HA 0.405 4.576 4.170 0.001 0.000 0.292 107 I C -0.372 175.473 176.117 -0.454 0.000 1.040 107 I CA -0.815 60.221 61.300 -0.440 0.000 1.068 107 I CB 2.275 39.831 38.000 -0.740 0.000 1.251 107 I HN 0.640 nan 8.210 nan 0.000 0.424 108 A N 6.249 128.840 122.820 -0.382 0.000 2.444 108 A HA 0.430 4.751 4.320 0.001 0.000 0.332 108 A C -1.384 176.077 177.584 -0.205 0.000 1.430 108 A CA -0.360 51.546 52.037 -0.218 0.000 0.975 108 A CB -0.238 18.687 19.000 -0.125 0.000 1.147 108 A HN 0.691 nan 8.150 nan 0.000 0.524 109 W N 2.369 123.671 121.300 0.002 0.000 2.546 109 W HA 0.384 5.046 4.660 0.002 0.000 0.323 109 W C 0.010 176.548 176.519 0.031 0.000 1.272 109 W CA 0.104 57.476 57.345 0.046 0.000 1.404 109 W CB 0.707 30.211 29.460 0.072 0.000 1.411 109 W HN 0.495 nan 8.180 nan 0.000 0.480 110 T N 3.580 118.263 114.554 0.215 0.000 2.833 110 T HA 0.061 4.412 4.350 0.001 0.000 0.297 110 T C -0.216 174.515 174.700 0.052 0.000 1.015 110 T CA -0.876 61.274 62.100 0.083 0.000 0.963 110 T CB 0.520 69.397 68.868 0.014 0.000 0.955 110 T HN 0.170 nan 8.240 nan 0.000 0.449 111 N N 3.043 121.749 118.700 0.011 0.000 2.400 111 N HA 0.039 4.780 4.740 0.001 0.000 0.267 111 N C 0.517 175.987 175.510 -0.068 0.000 1.208 111 N CA -0.154 52.882 53.050 -0.023 0.000 0.951 111 N CB 0.336 38.821 38.487 -0.003 0.000 1.227 111 N HN 0.439 nan 8.380 nan 0.000 0.488 112 R N 3.566 124.055 120.500 -0.018 0.000 2.633 112 R HA 0.261 4.602 4.340 0.001 0.000 0.348 112 R C -0.154 176.254 176.300 0.180 0.000 1.100 112 R CA -0.351 55.795 56.100 0.077 0.000 1.068 112 R CB 0.180 30.503 30.300 0.038 0.000 1.351 112 R HN 0.488 nan 8.270 nan 0.000 0.575 113 I N 3.193 123.803 120.570 0.067 0.000 2.322 113 I HA 0.160 4.331 4.170 0.001 0.000 0.292 113 I C -2.096 173.986 176.117 -0.057 0.000 1.060 113 I CA -2.099 59.108 61.300 -0.154 0.000 1.309 113 I CB 0.820 38.402 38.000 -0.697 0.000 1.415 113 I HN -0.274 nan 8.210 nan 0.000 0.492 114 P HA 0.006 nan 4.420 nan 0.000 0.266 114 P C -0.605 176.400 177.300 -0.492 0.000 1.195 114 P CA -0.238 62.440 63.100 -0.703 0.000 0.768 114 P CB 0.437 31.913 31.700 -0.373 0.000 0.838 115 K N 1.835 121.861 120.400 -0.624 0.000 2.524 115 K HA 0.219 4.540 4.320 0.001 0.000 0.279 115 K C 1.448 177.958 176.600 -0.150 0.000 0.993 115 K CA 1.628 57.762 56.287 -0.256 0.000 1.030 115 K CB -0.478 31.903 32.500 -0.199 0.000 0.891 115 K HN 0.801 nan 8.250 nan 0.000 0.488 116 G N 1.470 110.241 108.800 -0.048 0.000 2.195 116 G HA2 -0.271 3.690 3.960 0.001 0.000 0.246 116 G HA3 -0.271 3.690 3.960 0.001 0.000 0.246 116 G C -0.009 174.912 174.900 0.035 0.000 0.984 116 G CA 0.106 45.201 45.100 -0.008 0.000 0.633 116 G HN 0.567 nan 8.290 nan 0.000 0.525 117 S N 0.976 116.706 115.700 0.051 0.000 2.552 117 S HA 0.300 4.771 4.470 0.001 0.000 0.289 117 S C 0.521 175.235 174.600 0.190 0.000 1.304 117 S CA -0.055 58.219 58.200 0.124 0.000 1.063 117 S CB 1.274 64.570 63.200 0.160 0.000 0.848 117 S HN 0.483 nan 8.310 nan 0.000 0.499 118 E N 1.282 121.573 120.200 0.152 0.000 2.452 118 E HA -0.051 4.299 4.350 0.001 0.000 0.261 118 E C -0.845 175.820 176.600 0.108 0.000 0.987 118 E CA 0.030 56.500 56.400 0.118 0.000 0.926 118 E CB 0.332 30.075 29.700 0.071 0.000 0.934 118 E HN 0.568 nan 8.360 nan 0.000 0.452 119 Y N 5.870 126.142 120.300 -0.045 0.000 2.465 119 Y HA 0.111 4.662 4.550 0.002 0.000 0.331 119 Y C -1.806 173.865 175.900 -0.381 0.000 1.102 119 Y CA -1.755 56.197 58.100 -0.247 0.000 1.358 119 Y CB 1.073 39.402 38.460 -0.219 0.000 1.213 119 Y HN 0.520 nan 8.280 nan 0.000 0.525 120 P HA -0.065 nan 4.420 nan 0.000 0.225 120 P C -0.778 176.267 177.300 -0.425 0.000 1.156 120 P CA 0.935 63.602 63.100 -0.723 0.000 0.787 120 P CB 0.252 31.370 31.700 -0.970 0.000 0.802 121 V N 0.156 119.869 119.914 -0.334 0.000 2.370 121 V HA 0.204 4.324 4.120 0.001 0.000 0.283 121 V C 0.311 176.401 176.094 -0.007 0.000 1.023 121 V CA -0.370 61.881 62.300 -0.083 0.000 0.857 121 V CB 1.231 33.085 31.823 0.052 0.000 0.985 121 V HN -0.104 nan 8.190 nan 0.000 0.443 122 T N 3.782 118.320 114.554 -0.027 0.000 2.832 122 T HA 0.301 4.651 4.350 0.001 0.000 0.296 122 T C 0.200 174.894 174.700 -0.011 0.000 0.968 122 T CA 0.082 62.160 62.100 -0.037 0.000 1.107 122 T CB 1.150 70.013 68.868 -0.008 0.000 0.916 122 T HN 0.700 nan 8.240 nan 0.000 0.517 123 S N 2.626 118.274 115.700 -0.088 0.000 2.473 123 S HA 0.722 5.193 4.470 0.001 0.000 0.307 123 S C -0.545 174.086 174.600 0.052 0.000 1.094 123 S CA -0.708 57.496 58.200 0.007 0.000 1.070 123 S CB 0.342 63.401 63.200 -0.234 0.000 1.019 123 S HN 0.684 nan 8.310 nan 0.000 0.480 124 V N 2.106 122.109 119.914 0.149 0.000 2.925 124 V HA 0.728 4.849 4.120 0.001 0.000 0.311 124 V C -1.034 175.156 176.094 0.160 0.000 1.104 124 V CA -0.968 61.404 62.300 0.120 0.000 0.954 124 V CB 1.802 33.678 31.823 0.089 0.000 1.022 124 V HN 0.859 nan 8.190 nan 0.000 0.427 125 E N 2.257 122.534 120.200 0.128 0.000 2.166 125 E HA 0.677 5.028 4.350 0.001 0.000 0.275 125 E C -0.759 175.893 176.600 0.087 0.000 0.941 125 E CA -0.818 55.655 56.400 0.122 0.000 0.784 125 E CB 2.516 32.291 29.700 0.125 0.000 1.115 125 E HN 0.977 nan 8.360 nan 0.000 0.399 126 V N 0.125 120.085 119.914 0.078 0.000 2.769 126 V HA 0.577 4.697 4.120 0.001 0.000 0.312 126 V C -2.715 173.409 176.094 0.049 0.000 1.061 126 V CA -3.052 59.282 62.300 0.058 0.000 0.931 126 V CB 1.457 33.312 31.823 0.052 0.000 1.010 126 V HN 0.428 nan 8.190 nan 0.000 0.433 127 P HA 0.060 nan 4.420 nan 0.000 0.267 127 P C -0.293 177.022 177.300 0.025 0.000 1.195 127 P CA -0.036 63.082 63.100 0.031 0.000 0.773 127 P CB 0.189 31.904 31.700 0.025 0.000 0.837 128 L N 1.936 123.172 121.223 0.021 0.000 2.483 128 L HA 0.300 4.641 4.340 0.001 0.000 0.275 128 L C 1.185 178.058 176.870 0.005 0.000 1.220 128 L CA 0.811 55.658 54.840 0.012 0.000 0.833 128 L CB -0.568 41.498 42.059 0.010 0.000 1.102 128 L HN 0.486 nan 8.230 nan 0.000 0.490 129 G N 2.878 111.676 108.800 -0.004 0.000 2.531 129 G HA2 0.563 4.524 3.960 0.001 0.000 0.313 129 G HA3 0.563 4.524 3.960 0.001 0.000 0.313 129 G C -2.515 172.379 174.900 -0.011 0.000 1.238 129 G CA -1.031 44.064 45.100 -0.007 0.000 0.994 129 G HN 0.587 nan 8.290 nan 0.000 0.493 130 P HA 0.163 nan 4.420 nan 0.000 0.265 130 P C -2.346 174.943 177.300 -0.018 0.000 1.187 130 P CA -0.608 62.485 63.100 -0.013 0.000 0.766 130 P CB 0.015 31.707 31.700 -0.014 0.000 0.820 131 P HA 0.076 nan 4.420 nan 0.000 0.271 131 P C 0.963 178.248 177.300 -0.026 0.000 1.233 131 P CA 0.481 63.568 63.100 -0.021 0.000 0.789 131 P CB 0.170 31.860 31.700 -0.017 0.000 0.951 132 G N -0.140 108.641 108.800 -0.032 0.000 2.244 132 G HA2 -0.230 3.731 3.960 0.001 0.000 0.274 132 G HA3 -0.230 3.731 3.960 0.001 0.000 0.274 132 G C 0.295 175.170 174.900 -0.041 0.000 1.002 132 G CA 0.906 45.983 45.100 -0.037 0.000 0.740 132 G HN 0.907 nan 8.290 nan 0.000 0.516 133 T N -2.372 112.156 114.554 -0.042 0.000 2.932 133 T HA 0.687 5.037 4.350 0.001 0.000 0.289 133 T C -2.625 172.039 174.700 -0.060 0.000 1.039 133 T CA -1.876 60.196 62.100 -0.047 0.000 1.024 133 T CB 2.651 71.497 68.868 -0.038 0.000 1.090 133 T HN -0.011 nan 8.240 nan 0.000 0.496 134 P HA 0.329 nan 4.420 nan 0.000 0.262 134 P C -0.128 177.124 177.300 -0.079 0.000 1.182 134 P CA -0.134 62.912 63.100 -0.091 0.000 0.761 134 P CB -0.069 31.569 31.700 -0.105 0.000 0.795 135 A N 6.586 129.353 122.820 -0.089 0.000 2.448 135 A HA 0.193 4.514 4.320 0.001 0.000 0.239 135 A C -1.120 176.428 177.584 -0.060 0.000 1.080 135 A CA -0.714 51.281 52.037 -0.070 0.000 0.779 135 A CB -0.837 18.114 19.000 -0.081 0.000 1.026 135 A HN 0.426 nan 8.150 nan 0.000 0.499 136 P HA -0.147 nan 4.420 nan 0.000 0.221 136 P C 0.688 177.974 177.300 -0.023 0.000 1.145 136 P CA 1.464 64.553 63.100 -0.018 0.000 0.795 136 P CB -0.123 31.580 31.700 0.005 0.000 0.775 137 N N -1.032 117.643 118.700 -0.041 0.000 2.521 137 N HA -0.069 4.671 4.740 0.001 0.000 0.188 137 N C 0.884 176.329 175.510 -0.107 0.000 1.146 137 N CA 1.118 54.130 53.050 -0.063 0.000 0.893 137 N CB -1.783 36.659 38.487 -0.075 0.000 0.975 137 N HN 0.168 nan 8.380 nan 0.000 0.451 138 T N -3.638 110.848 114.554 -0.113 0.000 3.194 138 T HA 0.167 4.518 4.350 0.001 0.000 0.251 138 T C 0.055 174.678 174.700 -0.128 0.000 1.132 138 T CA -0.074 61.935 62.100 -0.153 0.000 1.028 138 T CB -0.166 68.594 68.868 -0.179 0.000 0.976 138 T HN 0.223 nan 8.240 nan 0.000 0.535 139 E N 1.740 121.908 120.200 -0.055 0.000 2.317 139 E HA 0.435 4.786 4.350 0.001 0.000 0.270 139 E C -2.852 173.799 176.600 0.084 0.000 0.885 139 E CA -2.801 53.605 56.400 0.010 0.000 0.760 139 E CB 2.526 32.235 29.700 0.015 0.000 1.227 139 E HN 0.118 nan 8.360 nan 0.000 0.434 140 P HA 0.284 nan 4.420 nan 0.000 0.275 140 P C 0.048 177.427 177.300 0.132 0.000 1.266 140 P CA 0.156 63.384 63.100 0.214 0.000 0.793 140 P CB 0.644 32.515 31.700 0.285 0.000 1.074 141 G N 0.317 109.188 108.800 0.118 0.000 2.699 141 G HA2 -0.187 3.774 3.960 0.001 0.000 0.686 141 G HA3 -0.187 3.774 3.960 0.001 0.000 0.686 141 G C 0.200 175.145 174.900 0.076 0.000 1.301 141 G CA -0.484 44.666 45.100 0.083 0.000 0.816 141 G HN 0.514 nan 8.290 nan 0.000 0.595 142 R N 0.496 121.032 120.500 0.061 0.000 2.312 142 R HA 0.398 4.739 4.340 0.001 0.000 0.205 142 R C 1.975 178.303 176.300 0.047 0.000 0.904 142 R CA 0.865 56.999 56.100 0.057 0.000 1.052 142 R CB 0.280 30.609 30.300 0.048 0.000 1.014 142 R HN 2.177 nan 8.270 nan 0.000 0.503 143 G N 0.582 109.408 108.800 0.042 0.000 2.305 143 G HA2 -0.263 3.698 3.960 0.001 0.000 0.287 143 G HA3 -0.263 3.698 3.960 0.001 0.000 0.287 143 G C 0.830 175.747 174.900 0.029 0.000 1.036 143 G CA 0.542 45.662 45.100 0.034 0.000 0.887 143 G HN 0.584 nan 8.290 nan 0.000 0.505 144 G N -3.023 105.793 108.800 0.027 0.000 2.299 144 G HA2 -0.117 3.844 3.960 0.001 0.000 0.237 144 G HA3 -0.117 3.844 3.960 0.001 0.000 0.237 144 G C 0.673 175.586 174.900 0.023 0.000 1.027 144 G CA 0.396 45.510 45.100 0.023 0.000 0.619 144 G HN 1.684 nan 8.290 nan 0.000 0.513 145 V N 2.752 122.682 119.914 0.027 0.000 2.655 145 V HA 0.320 4.441 4.120 0.001 0.000 0.300 145 V C 0.749 176.857 176.094 0.023 0.000 1.044 145 V CA -0.353 61.964 62.300 0.027 0.000 1.095 145 V CB 1.323 33.168 31.823 0.036 0.000 0.952 145 V HN 0.358 nan 8.190 nan 0.000 0.485 146 E N 5.064 125.273 120.200 0.016 0.000 2.384 146 E HA 0.191 4.541 4.350 0.001 0.000 0.266 146 E C -2.315 174.286 176.600 0.001 0.000 1.012 146 E CA -1.959 54.445 56.400 0.006 0.000 0.901 146 E CB 0.238 29.938 29.700 -0.000 0.000 0.967 146 E HN 0.453 nan 8.360 nan 0.000 0.435 147 P HA -0.091 nan 4.420 nan 0.000 0.261 147 P C 0.082 177.350 177.300 -0.053 0.000 1.183 147 P CA 0.069 63.152 63.100 -0.028 0.000 0.761 147 P CB 0.252 31.931 31.700 -0.036 0.000 0.785 148 N N 4.018 122.675 118.700 -0.072 0.000 2.374 148 N HA -0.100 4.640 4.740 0.001 0.000 0.269 148 N C 0.880 176.295 175.510 -0.159 0.000 1.310 148 N CA 0.469 53.454 53.050 -0.108 0.000 0.877 148 N CB 0.438 38.849 38.487 -0.126 0.000 1.096 148 N HN 0.110 nan 8.380 nan 0.000 0.484 149 K N 2.845 123.172 120.400 -0.120 0.000 2.148 149 K HA -0.065 4.256 4.320 0.001 0.000 0.204 149 K C 0.797 177.300 176.600 -0.160 0.000 1.050 149 K CA 0.965 57.181 56.287 -0.119 0.000 0.942 149 K CB -0.017 32.437 32.500 -0.078 0.000 0.724 149 K HN 0.586 nan 8.250 nan 0.000 0.446 150 D N 0.498 120.792 120.400 -0.177 0.000 2.178 150 D HA -0.092 4.549 4.640 0.001 0.000 0.202 150 D C 1.925 178.021 176.300 -0.340 0.000 0.974 150 D CA 0.681 54.559 54.000 -0.204 0.000 0.841 150 D CB 0.064 40.770 40.800 -0.157 0.000 0.953 150 D HN -0.072 nan 8.370 nan 0.000 0.478 151 V N 1.418 121.039 119.914 -0.489 0.000 2.346 151 V HA -0.121 4.000 4.120 0.001 0.000 0.244 151 V C 2.595 178.314 176.094 -0.625 0.000 1.037 151 V CA 1.428 63.250 62.300 -0.796 0.000 1.029 151 V CB -0.838 30.295 31.823 -1.150 0.000 0.663 151 V HN 0.140 nan 8.190 nan 0.000 0.454 152 A N 0.317 122.914 122.820 -0.371 0.000 1.986 152 A HA -0.163 4.158 4.320 0.001 0.000 0.220 152 A C 2.206 179.706 177.584 -0.141 0.000 1.171 152 A CA 2.170 54.089 52.037 -0.196 0.000 0.640 152 A CB -0.596 18.329 19.000 -0.125 0.000 0.811 152 A HN 0.627 nan 8.150 nan 0.000 0.451 153 A N -0.978 121.735 122.820 -0.179 0.000 2.251 153 A HA 0.437 4.758 4.320 0.001 0.000 0.209 153 A C 0.790 178.309 177.584 -0.108 0.000 1.187 153 A CA -0.326 51.644 52.037 -0.112 0.000 0.823 153 A CB -0.354 18.582 19.000 -0.107 0.000 0.846 153 A HN 0.423 nan 8.150 nan 0.000 0.486 154 L N 2.378 123.471 121.223 -0.218 0.000 2.513 154 L HA 0.140 4.481 4.340 0.001 0.000 0.272 154 L C -1.769 175.196 176.870 0.158 0.000 1.187 154 L CA -1.221 53.534 54.840 -0.142 0.000 0.895 154 L CB 0.320 42.087 42.059 -0.487 0.000 1.147 154 L HN 0.231 nan 8.230 nan 0.000 0.483 155 P HA 0.194 nan 4.420 nan 0.000 0.278 155 P C -0.954 176.611 177.300 0.442 0.000 1.266 155 P CA -0.733 62.525 63.100 0.264 0.000 0.807 155 P CB 0.961 32.742 31.700 0.136 0.000 1.094 156 A N 1.021 124.044 122.820 0.338 0.000 2.438 156 A HA 0.266 4.586 4.320 0.001 0.000 0.280 156 A C -0.968 176.810 177.584 0.324 0.000 1.160 156 A CA -0.038 52.112 52.037 0.189 0.000 0.821 156 A CB -1.035 17.684 19.000 -0.468 0.000 1.101 156 A HN 0.624 nan 8.150 nan 0.000 0.515 157 W N 2.951 124.362 121.300 0.185 0.000 2.728 157 W HA 0.553 5.214 4.660 0.001 0.000 0.324 157 W C -0.626 175.976 176.519 0.138 0.000 1.012 157 W CA -0.229 57.197 57.345 0.135 0.000 1.279 157 W CB 1.474 31.012 29.460 0.131 0.000 1.289 157 W HN 0.621 nan 8.180 nan 0.000 0.418 158 S N 4.320 119.872 115.700 -0.247 0.000 2.541 158 S HA 0.832 5.303 4.470 0.001 0.000 0.280 158 S C -2.112 172.325 174.600 -0.271 0.000 1.112 158 S CA -0.605 57.474 58.200 -0.201 0.000 0.925 158 S CB 1.590 64.769 63.200 -0.034 0.000 1.067 158 S HN 0.448 nan 8.310 nan 0.000 0.479 159 V N 3.624 123.392 119.914 -0.243 0.000 2.760 159 V HA 0.694 4.815 4.120 0.001 0.000 0.309 159 V C -0.780 175.207 176.094 -0.179 0.000 1.077 159 V CA -0.203 61.974 62.300 -0.204 0.000 0.910 159 V CB 2.424 34.099 31.823 -0.247 0.000 1.008 159 V HN 0.960 nan 8.190 nan 0.000 0.424 160 T N 4.766 119.131 114.554 -0.315 0.000 2.794 160 T HA 0.471 4.822 4.350 0.001 0.000 0.280 160 T C -1.175 173.259 174.700 -0.443 0.000 0.987 160 T CA -0.039 61.734 62.100 -0.545 0.000 0.993 160 T CB 0.599 68.594 68.868 -1.454 0.000 0.939 160 T HN 0.803 nan 8.240 nan 0.000 0.449 161 H N 2.846 121.623 119.070 -0.488 0.000 2.481 161 H HA 0.530 5.087 4.556 0.001 0.000 0.333 161 H C -0.935 174.107 175.328 -0.476 0.000 1.066 161 H CA -1.251 54.556 56.048 -0.402 0.000 1.209 161 H CB 0.688 30.277 29.762 -0.288 0.000 1.445 161 H HN 0.353 nan 8.280 nan 0.000 0.488 162 L N 6.569 127.346 121.223 -0.743 0.000 2.334 162 L HA 0.190 4.531 4.340 0.001 0.000 0.286 162 L C -0.436 175.733 176.870 -1.170 0.000 1.108 162 L CA -0.108 54.244 54.840 -0.813 0.000 0.875 162 L CB -0.828 40.710 42.059 -0.869 0.000 1.246 162 L HN 0.828 nan 8.230 nan 0.000 0.439 163 H N 4.750 123.097 119.070 -1.204 0.000 3.026 163 H HA 0.428 4.985 4.556 0.001 0.000 0.289 163 H C 1.241 176.228 175.328 -0.567 0.000 1.022 163 H CA 1.025 56.556 56.048 -0.861 0.000 1.477 163 H CB 0.458 29.824 29.762 -0.660 0.000 1.510 163 H HN 0.913 nan 8.280 nan 0.000 0.535 164 G N 2.649 111.191 108.800 -0.430 0.000 2.238 164 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 164 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 164 G C 0.317 174.351 174.900 -1.443 0.000 0.996 164 G CA -0.133 44.608 45.100 -0.598 0.000 0.632 164 G HN 0.946 nan 8.290 nan 0.000 0.503 165 A N 0.479 122.282 122.820 -1.696 0.000 2.450 165 A HA 0.606 4.926 4.320 0.001 0.000 0.255 165 A C 0.590 177.740 177.584 -0.723 0.000 1.096 165 A CA 0.793 51.707 52.037 -1.871 0.000 0.778 165 A CB 0.401 18.606 19.000 -1.325 0.000 1.031 165 A HN 0.653 nan 8.150 nan 0.000 0.494 166 Q N 1.818 121.357 119.800 -0.434 0.000 2.402 166 Q HA 0.387 4.728 4.340 0.001 0.000 0.238 166 Q C -0.371 175.641 176.000 0.019 0.000 1.126 166 Q CA 0.237 55.989 55.803 -0.085 0.000 0.904 166 Q CB 0.265 29.069 28.738 0.110 0.000 1.357 166 Q HN 0.783 nan 8.270 nan 0.000 0.491 167 T N 1.680 116.276 114.554 0.070 0.000 2.840 167 T HA 0.572 4.923 4.350 0.001 0.000 0.317 167 T C -0.358 174.523 174.700 0.302 0.000 1.401 167 T CA -0.088 62.115 62.100 0.172 0.000 1.028 167 T CB 1.164 70.165 68.868 0.221 0.000 1.317 167 T HN 0.681 nan 8.240 nan 0.000 0.495 168 G N 0.374 109.319 108.800 0.242 0.000 2.664 168 G HA2 0.419 4.380 3.960 0.001 0.000 0.242 168 G HA3 0.419 4.380 3.960 0.001 0.000 0.242 168 G C 1.297 176.259 174.900 0.104 0.000 1.225 168 G CA 0.126 45.390 45.100 0.274 0.000 0.849 168 G HN 1.036 nan 8.290 nan 0.000 0.581 169 G N -0.161 108.443 108.800 -0.326 0.000 2.448 169 G HA2 0.002 3.963 3.960 0.001 0.000 0.219 169 G HA3 0.002 3.963 3.960 0.001 0.000 0.219 169 G C 1.667 176.399 174.900 -0.281 0.000 1.127 169 G CA 1.239 45.903 45.100 -0.726 0.000 0.766 169 G HN 0.961 nan 8.290 nan 0.000 0.552 170 G N 0.230 108.933 108.800 -0.163 0.000 2.559 170 G HA2 -0.129 3.832 3.960 0.001 0.000 0.216 170 G HA3 -0.129 3.832 3.960 0.001 0.000 0.216 170 G C 1.467 176.342 174.900 -0.043 0.000 1.126 170 G CA 0.657 45.701 45.100 -0.094 0.000 0.778 170 G HN 0.433 nan 8.290 nan 0.000 0.543 171 N N -0.085 118.604 118.700 -0.017 0.000 2.250 171 N HA 0.019 4.759 4.740 0.001 0.000 0.190 171 N C 0.935 176.506 175.510 0.102 0.000 1.116 171 N CA 0.159 53.205 53.050 -0.007 0.000 0.881 171 N CB 0.425 38.879 38.487 -0.055 0.000 1.006 171 N HN 0.152 nan 8.380 nan 0.000 0.491 172 D N 0.558 121.032 120.400 0.123 0.000 2.317 172 D HA 0.042 4.682 4.640 0.001 0.000 0.211 172 D C 0.718 177.142 176.300 0.207 0.000 0.966 172 D CA 0.645 54.786 54.000 0.235 0.000 0.876 172 D CB -0.013 40.942 40.800 0.258 0.000 0.927 172 D HN 0.317 nan 8.370 nan 0.000 0.519 173 G N 0.621 109.473 108.800 0.086 0.000 2.303 173 G HA2 -0.263 3.698 3.960 0.001 0.000 0.260 173 G HA3 -0.263 3.698 3.960 0.001 0.000 0.260 173 G C 0.001 174.827 174.900 -0.124 0.000 1.106 173 G CA -0.075 45.012 45.100 -0.022 0.000 0.900 173 G HN 0.351 nan 8.290 nan 0.000 0.495 174 W N 0.334 121.501 121.300 -0.222 0.000 2.343 174 W HA 0.255 4.916 4.660 0.001 0.000 0.337 174 W C 0.975 177.348 176.519 -0.244 0.000 1.320 174 W CA 0.348 57.543 57.345 -0.251 0.000 1.290 174 W CB 0.500 29.854 29.460 -0.175 0.000 1.206 174 W HN 0.600 nan 8.180 nan 0.000 0.565 175 A N 4.294 126.491 122.820 -1.039 0.000 1.972 175 A HA -0.234 4.087 4.320 0.001 0.000 0.219 175 A C 1.629 178.929 177.584 -0.474 0.000 1.169 175 A CA 1.857 53.462 52.037 -0.720 0.000 0.635 175 A CB -0.410 18.144 19.000 -0.743 0.000 0.810 175 A HN 0.710 nan 8.150 nan 0.000 0.446 176 D N -0.117 120.053 120.400 -0.383 0.000 2.312 176 D HA -0.065 4.576 4.640 0.001 0.000 0.211 176 D C 0.441 176.853 176.300 0.187 0.000 0.964 176 D CA 0.714 54.781 54.000 0.111 0.000 0.877 176 D CB -0.418 40.608 40.800 0.376 0.000 0.924 176 D HN 0.614 nan 8.370 nan 0.000 0.515 177 N N 0.560 119.320 118.700 0.101 0.000 2.451 177 N HA 0.270 5.010 4.740 0.001 0.000 0.264 177 N C -0.122 175.330 175.510 -0.096 0.000 1.167 177 N CA -0.464 52.648 53.050 0.104 0.000 0.898 177 N CB 0.826 39.413 38.487 0.167 0.000 1.176 177 N HN 0.000 nan 8.380 nan 0.000 0.507 178 A N 0.918 123.487 122.820 -0.418 0.000 2.445 178 A HA 0.353 4.673 4.320 0.001 0.000 0.242 178 A C 0.526 177.867 177.584 -0.406 0.000 1.075 178 A CA -0.283 51.276 52.037 -0.796 0.000 0.777 178 A CB 0.308 18.073 19.000 -2.058 0.000 1.013 178 A HN 0.140 nan 8.150 nan 0.000 0.493 179 V N 0.156 119.936 119.914 -0.224 0.000 2.815 179 V HA 0.896 5.016 4.120 0.001 0.000 0.314 179 V C 0.603 176.817 176.094 0.200 0.000 1.064 179 V CA -0.167 62.178 62.300 0.074 0.000 0.952 179 V CB 1.118 32.973 31.823 0.054 0.000 1.020 179 V HN 1.264 nan 8.190 nan 0.000 0.439 180 G N 1.111 110.089 108.800 0.297 0.000 2.557 180 G HA2 0.477 4.438 3.960 0.001 0.000 0.292 180 G HA3 0.477 4.438 3.960 0.001 0.000 0.292 180 G C -0.605 174.397 174.900 0.170 0.000 1.237 180 G CA -0.820 44.446 45.100 0.278 0.000 0.978 180 G HN 0.983 nan 8.290 nan 0.000 0.498 181 F N 0.452 120.428 119.950 0.043 0.000 2.623 181 F HA 0.327 4.854 4.527 0.001 0.000 0.386 181 F C 1.451 177.261 175.800 0.016 0.000 1.068 181 F CA 1.622 59.622 58.000 0.001 0.000 1.265 181 F CB 0.476 39.468 39.000 -0.014 0.000 1.026 181 F HN 1.061 nan 8.300 nan 0.000 0.568 182 G N 3.501 111.718 108.800 -0.972 0.000 2.268 182 G HA2 -0.252 3.708 3.960 0.001 0.000 0.240 182 G HA3 -0.252 3.708 3.960 0.001 0.000 0.240 182 G C -0.076 174.653 174.900 -0.284 0.000 1.010 182 G CA 0.164 44.842 45.100 -0.704 0.000 0.618 182 G HN 0.693 nan 8.290 nan 0.000 0.516 183 D N 0.841 121.147 120.400 -0.157 0.000 2.326 183 D HA 0.744 5.384 4.640 0.001 0.000 0.251 183 D C 0.458 176.741 176.300 -0.027 0.000 1.023 183 D CA 0.656 54.621 54.000 -0.057 0.000 0.966 183 D CB 1.642 42.447 40.800 0.007 0.000 1.156 183 D HN 0.773 nan 8.370 nan 0.000 0.494 184 A N 0.432 123.252 122.820 -0.000 0.000 2.380 184 A HA 0.498 4.818 4.320 0.001 0.000 0.315 184 A C -0.808 176.813 177.584 0.061 0.000 1.101 184 A CA -0.696 51.361 52.037 0.033 0.000 0.771 184 A CB 1.698 20.704 19.000 0.009 0.000 1.287 184 A HN 0.451 nan 8.150 nan 0.000 0.436 185 Q N 1.778 121.652 119.800 0.122 0.000 2.322 185 Q HA 0.619 4.960 4.340 0.001 0.000 0.265 185 Q C -1.866 174.236 176.000 0.170 0.000 0.985 185 Q CA -0.448 55.440 55.803 0.142 0.000 0.849 185 Q CB 0.993 29.831 28.738 0.167 0.000 1.274 185 Q HN 0.714 nan 8.270 nan 0.000 0.449 186 L N 2.789 124.061 121.223 0.080 0.000 2.282 186 L HA 0.517 4.858 4.340 0.001 0.000 0.288 186 L C -0.573 176.290 176.870 -0.013 0.000 1.033 186 L CA -0.634 54.211 54.840 0.009 0.000 0.807 186 L CB 1.815 43.857 42.059 -0.029 0.000 1.209 186 L HN 0.615 nan 8.230 nan 0.000 0.423 187 S N 1.926 117.566 115.700 -0.099 0.000 2.532 187 S HA 0.338 4.809 4.470 0.001 0.000 0.299 187 S C -0.697 173.608 174.600 -0.493 0.000 1.105 187 S CA -0.728 57.303 58.200 -0.282 0.000 1.018 187 S CB 2.213 65.232 63.200 -0.301 0.000 1.021 187 S HN 0.611 nan 8.310 nan 0.000 0.483 188 E N 1.966 121.909 120.200 -0.427 0.000 2.197 188 E HA 0.376 4.727 4.350 0.001 0.000 0.281 188 E C -1.684 174.647 176.600 -0.448 0.000 0.995 188 E CA -0.549 55.645 56.400 -0.344 0.000 0.808 188 E CB 0.612 30.235 29.700 -0.130 0.000 1.093 188 E HN 0.591 nan 8.360 nan 0.000 0.394 189 Y N 4.888 125.246 120.300 0.096 0.000 2.447 189 Y HA 0.285 4.836 4.550 0.001 0.000 0.325 189 Y C -1.976 174.017 175.900 0.157 0.000 0.976 189 Y CA -2.644 55.535 58.100 0.131 0.000 1.280 189 Y CB 1.661 40.238 38.460 0.196 0.000 1.104 189 Y HN 0.579 nan 8.280 nan 0.000 0.486 190 P HA -0.121 nan 4.420 nan 0.000 0.220 190 P C -0.442 177.003 177.300 0.240 0.000 1.148 190 P CA 1.248 64.467 63.100 0.198 0.000 0.803 190 P CB 0.168 31.960 31.700 0.152 0.000 0.782 191 N N -1.870 117.036 118.700 0.343 0.000 2.735 191 N HA -0.193 4.548 4.740 0.001 0.000 0.248 191 N C -0.453 175.217 175.510 0.268 0.000 1.083 191 N CA 0.325 53.602 53.050 0.378 0.000 0.703 191 N CB -1.579 37.098 38.487 0.316 0.000 1.005 191 N HN 0.195 nan 8.380 nan 0.000 0.550 192 D N 0.645 121.197 120.400 0.255 0.000 2.741 192 D HA 0.096 4.737 4.640 0.001 0.000 0.233 192 D C -0.742 175.684 176.300 0.211 0.000 1.160 192 D CA 0.277 54.382 54.000 0.175 0.000 1.003 192 D CB -0.047 40.826 40.800 0.122 0.000 1.064 192 D HN 0.386 nan 8.370 nan 0.000 0.503 193 H N 1.087 120.211 119.070 0.090 0.000 3.079 193 H HA 0.158 4.715 4.556 0.001 0.000 0.356 193 H C -0.849 174.461 175.328 -0.029 0.000 1.221 193 H CA -0.598 55.493 56.048 0.070 0.000 1.185 193 H CB 1.686 31.590 29.762 0.237 0.000 1.882 193 H HN 0.330 nan 8.280 nan 0.000 0.543 194 Q N 2.397 121.973 119.800 -0.372 0.000 2.454 194 Q HA 0.458 4.799 4.340 0.001 0.000 0.247 194 Q C -0.313 175.681 176.000 -0.010 0.000 1.028 194 Q CA -0.288 55.416 55.803 -0.164 0.000 0.910 194 Q CB 0.790 29.397 28.738 -0.218 0.000 1.276 194 Q HN 0.581 nan 8.270 nan 0.000 0.489 195 A N 1.864 124.662 122.820 -0.036 0.000 2.598 195 A HA 0.213 4.533 4.320 0.001 0.000 0.239 195 A C 0.200 177.751 177.584 -0.055 0.000 1.032 195 A CA 1.134 53.137 52.037 -0.057 0.000 0.760 195 A CB -0.113 18.865 19.000 -0.037 0.000 0.946 195 A HN 0.788 nan 8.150 nan 0.000 0.512 196 T N 0.658 115.112 114.554 -0.165 0.000 2.693 196 T HA 0.426 4.776 4.350 0.001 0.000 0.304 196 T C -1.353 173.218 174.700 -0.214 0.000 1.471 196 T CA -0.473 61.531 62.100 -0.161 0.000 0.993 196 T CB 1.139 69.924 68.868 -0.139 0.000 1.554 196 T HN 0.852 nan 8.240 nan 0.000 0.496 197 Q N 1.610 121.351 119.800 -0.098 0.000 2.368 197 Q HA 0.412 4.752 4.340 0.001 0.000 0.256 197 Q C -1.217 174.872 176.000 0.149 0.000 0.980 197 Q CA -0.695 55.108 55.803 -0.001 0.000 0.887 197 Q CB 0.537 29.296 28.738 0.036 0.000 1.221 197 Q HN 0.487 nan 8.270 nan 0.000 0.458 198 W N 4.063 125.453 121.300 0.149 0.000 2.481 198 W HA 0.543 5.204 4.660 0.001 0.000 0.369 198 W C -0.227 176.473 176.519 0.302 0.000 1.235 198 W CA -0.896 56.537 57.345 0.147 0.000 1.344 198 W CB 0.977 30.406 29.460 -0.052 0.000 1.360 198 W HN 0.631 nan 8.180 nan 0.000 0.658 199 W N 1.626 123.040 121.300 0.190 0.000 3.074 199 W HA 0.541 5.202 4.660 0.001 0.000 0.332 199 W C -2.201 174.373 176.519 0.092 0.000 1.253 199 W CA -2.150 55.260 57.345 0.109 0.000 1.180 199 W CB -0.126 29.340 29.460 0.009 0.000 1.445 199 W HN 0.526 nan 8.180 nan 0.000 0.573 200 Y N 0.390 120.635 120.300 -0.093 0.000 2.512 200 Y HA 0.801 5.352 4.550 0.001 0.000 0.348 200 Y C -0.869 174.864 175.900 -0.278 0.000 0.990 200 Y CA -1.273 56.570 58.100 -0.427 0.000 1.033 200 Y CB 1.652 39.892 38.460 -0.366 0.000 1.259 200 Y HN 0.776 nan 8.280 nan 0.000 0.461 201 H N -1.329 117.607 119.070 -0.222 0.000 2.987 201 H HA 0.354 4.911 4.556 0.001 0.000 0.316 201 H C -1.858 173.473 175.328 0.004 0.000 1.380 201 H CA -1.242 54.778 56.048 -0.045 0.000 1.160 201 H CB 0.845 30.453 29.762 -0.256 0.000 1.865 201 H HN 0.771 nan 8.280 nan 0.000 0.521 202 D N -0.479 120.069 120.400 0.246 0.000 2.478 202 D HA 0.006 4.647 4.640 0.001 0.000 0.234 202 D C 0.145 176.529 176.300 0.141 0.000 1.154 202 D CA 0.738 54.816 54.000 0.130 0.000 0.874 202 D CB 0.426 41.297 40.800 0.117 0.000 1.198 202 D HN 0.703 nan 8.370 nan 0.000 0.455 203 H N 1.475 120.494 119.070 -0.084 0.000 3.109 203 H HA 0.297 4.854 4.556 0.001 0.000 0.248 203 H C -0.894 174.273 175.328 -0.269 0.000 1.177 203 H CA -0.141 55.817 56.048 -0.150 0.000 0.977 203 H CB 0.061 29.706 29.762 -0.195 0.000 2.165 203 H HN 0.436 nan 8.280 nan 0.000 0.693 204 A N 1.715 124.454 122.820 -0.135 0.000 2.548 204 A HA 0.135 4.456 4.320 0.001 0.000 0.247 204 A C 0.808 178.297 177.584 -0.159 0.000 1.067 204 A CA -0.212 51.646 52.037 -0.299 0.000 0.757 204 A CB -0.293 18.514 19.000 -0.322 0.000 0.996 204 A HN 0.458 nan 8.150 nan 0.000 0.504 205 M N 3.730 123.231 119.600 -0.164 0.000 2.290 205 M HA 0.016 4.496 4.480 0.001 0.000 0.356 205 M C 0.812 177.139 176.300 0.045 0.000 1.448 205 M CA 1.289 56.528 55.300 -0.103 0.000 0.993 205 M CB -0.769 31.806 32.600 -0.042 0.000 1.934 205 M HN 0.864 nan 8.290 nan 0.000 0.461 206 N N 2.491 121.140 118.700 -0.085 0.000 2.951 206 N HA -0.257 4.483 4.740 0.001 0.000 0.213 206 N C 0.420 175.905 175.510 -0.041 0.000 0.877 206 N CA 2.072 55.093 53.050 -0.049 0.000 1.042 206 N CB -1.720 36.794 38.487 0.045 0.000 1.005 206 N HN 0.877 nan 8.380 nan 0.000 0.604 207 I N -4.018 116.565 120.570 0.021 0.000 4.225 207 I HA 0.293 4.464 4.170 0.001 0.000 0.327 207 I C 1.206 177.299 176.117 -0.040 0.000 1.422 207 I CA -0.111 61.242 61.300 0.088 0.000 1.150 207 I CB 0.359 38.576 38.000 0.361 0.000 1.192 207 I HN -0.238 nan 8.210 nan 0.000 0.440 208 T N 2.667 117.130 114.554 -0.151 0.000 2.760 208 T HA -0.212 4.139 4.350 0.001 0.000 0.269 208 T C 1.990 176.534 174.700 -0.260 0.000 1.047 208 T CA 2.489 64.479 62.100 -0.183 0.000 1.139 208 T CB -0.392 68.308 68.868 -0.279 0.000 0.855 208 T HN 0.617 nan 8.240 nan 0.000 0.471 209 R N -0.253 119.963 120.500 -0.474 0.000 2.148 209 R HA -0.073 4.267 4.340 0.001 0.000 0.227 209 R C 1.986 177.918 176.300 -0.613 0.000 1.103 209 R CA 1.236 56.973 56.100 -0.606 0.000 0.983 209 R CB -0.412 29.361 30.300 -0.878 0.000 0.874 209 R HN 0.432 nan 8.270 nan 0.000 0.451 210 W N 1.387 122.573 121.300 -0.190 0.000 2.539 210 W HA 0.139 4.800 4.660 0.001 0.000 0.299 210 W C 1.718 178.232 176.519 -0.008 0.000 1.165 210 W CA -0.097 57.176 57.345 -0.119 0.000 1.400 210 W CB -1.070 28.350 29.460 -0.067 0.000 1.123 210 W HN 0.115 nan 8.180 nan 0.000 0.533 211 N N 0.920 119.784 118.700 0.273 0.000 2.060 211 N HA -0.168 4.573 4.740 0.001 0.000 0.195 211 N C 1.761 177.330 175.510 0.099 0.000 1.028 211 N CA 1.917 55.088 53.050 0.201 0.000 0.861 211 N CB -1.038 37.585 38.487 0.228 0.000 1.029 211 N HN -0.128 nan 8.380 nan 0.000 0.428 212 V N 1.293 121.239 119.914 0.054 0.000 2.343 212 V HA -0.180 3.940 4.120 0.001 0.000 0.247 212 V C 2.301 178.420 176.094 0.042 0.000 1.051 212 V CA 1.548 63.889 62.300 0.068 0.000 1.036 212 V CB -0.466 31.342 31.823 -0.025 0.000 0.654 212 V HN 0.360 nan 8.190 nan 0.000 0.451 213 M N 0.318 119.893 119.600 -0.041 0.000 2.279 213 M HA -0.089 4.392 4.480 0.001 0.000 0.264 213 M C 1.930 178.194 176.300 -0.061 0.000 1.062 213 M CA 1.845 57.097 55.300 -0.080 0.000 1.099 213 M CB -0.244 32.283 32.600 -0.122 0.000 1.394 213 M HN 0.299 nan 8.290 nan 0.000 0.426 214 A N -0.330 122.431 122.820 -0.099 0.000 2.121 214 A HA 0.218 4.539 4.320 0.001 0.000 0.218 214 A C 1.756 179.289 177.584 -0.086 0.000 1.154 214 A CA 1.191 53.078 52.037 -0.250 0.000 0.679 214 A CB -0.714 17.970 19.000 -0.527 0.000 0.795 214 A HN 0.809 nan 8.150 nan 0.000 0.458 215 G N -2.052 106.811 108.800 0.105 0.000 2.273 215 G HA2 -0.104 3.857 3.960 0.001 0.000 0.162 215 G HA3 -0.104 3.857 3.960 0.001 0.000 0.162 215 G C 0.112 175.126 174.900 0.191 0.000 1.006 215 G CA -0.132 45.095 45.100 0.212 0.000 0.704 215 G HN 0.349 nan 8.290 nan 0.000 0.487 216 L N 2.167 123.509 121.223 0.199 0.000 2.391 216 L HA 0.523 4.864 4.340 0.001 0.000 0.249 216 L C 0.309 177.495 176.870 0.527 0.000 1.308 216 L CA -0.591 54.310 54.840 0.102 0.000 1.209 216 L CB -0.945 41.063 42.059 -0.085 0.000 1.401 216 L HN 0.430 nan 8.230 nan 0.000 0.416 217 Y N -1.020 119.475 120.300 0.325 0.000 2.571 217 Y HA 0.945 5.496 4.550 0.002 0.000 0.341 217 Y C -0.080 175.832 175.900 0.021 0.000 1.076 217 Y CA -1.154 57.087 58.100 0.235 0.000 1.029 217 Y CB 1.779 40.421 38.460 0.302 0.000 1.308 217 Y HN 0.108 nan 8.280 nan 0.000 0.461 218 G N 0.224 108.794 108.800 -0.383 0.000 2.576 218 G HA2 0.467 4.428 3.960 0.001 0.000 0.290 218 G HA3 0.467 4.428 3.960 0.001 0.000 0.290 218 G C -1.935 172.695 174.900 -0.450 0.000 1.442 218 G CA -0.621 44.098 45.100 -0.635 0.000 0.792 218 G HN 0.770 nan 8.290 nan 0.000 0.491 219 T N -1.388 113.147 114.554 -0.032 0.000 2.940 219 T HA 0.704 5.055 4.350 0.001 0.000 0.288 219 T C -1.901 173.068 174.700 0.449 0.000 1.045 219 T CA -0.496 61.753 62.100 0.249 0.000 1.018 219 T CB 1.443 70.431 68.868 0.199 0.000 1.151 219 T HN 0.925 nan 8.240 nan 0.000 0.529 220 Y N 2.743 123.215 120.300 0.286 0.000 2.287 220 Y HA 0.525 5.076 4.550 0.002 0.000 0.325 220 Y C -1.881 174.089 175.900 0.117 0.000 1.139 220 Y CA -1.040 57.213 58.100 0.255 0.000 1.167 220 Y CB 0.672 39.344 38.460 0.354 0.000 1.158 220 Y HN 0.539 nan 8.280 nan 0.000 0.434 221 L N 6.783 128.060 121.223 0.090 0.000 2.295 221 L HA 0.705 5.046 4.340 0.001 0.000 0.285 221 L C -0.650 176.157 176.870 -0.105 0.000 1.035 221 L CA -1.320 53.517 54.840 -0.004 0.000 0.806 221 L CB 1.557 43.605 42.059 -0.018 0.000 1.214 221 L HN 0.328 nan 8.230 nan 0.000 0.426 222 V N 3.649 123.463 119.914 -0.166 0.000 2.427 222 V HA 0.509 4.630 4.120 0.001 0.000 0.286 222 V C 0.098 176.118 176.094 -0.122 0.000 1.034 222 V CA -0.812 61.381 62.300 -0.178 0.000 0.893 222 V CB 1.544 33.168 31.823 -0.332 0.000 0.982 222 V HN 0.657 nan 8.190 nan 0.000 0.452 223 R N 3.262 123.713 120.500 -0.082 0.000 2.604 223 R HA 0.701 5.042 4.340 0.001 0.000 0.287 223 R C -0.919 175.357 176.300 -0.040 0.000 0.970 223 R CA -0.664 55.403 56.100 -0.055 0.000 0.946 223 R CB 2.005 32.278 30.300 -0.046 0.000 1.127 223 R HN 0.994 nan 8.270 nan 0.000 0.473 224 D N -1.396 118.986 120.400 -0.030 0.000 2.652 224 D HA 0.191 4.832 4.640 0.001 0.000 0.285 224 D C -0.219 176.072 176.300 -0.016 0.000 1.173 224 D CA -0.576 53.411 54.000 -0.021 0.000 0.981 224 D CB 0.467 41.253 40.800 -0.023 0.000 1.440 224 D HN 0.124 nan 8.370 nan 0.000 0.485 225 D N -0.469 119.923 120.400 -0.012 0.000 2.183 225 D HA -0.100 4.540 4.640 0.001 0.000 0.203 225 D C 1.419 177.714 176.300 -0.008 0.000 0.969 225 D CA 0.957 54.951 54.000 -0.010 0.000 0.842 225 D CB 0.117 40.912 40.800 -0.009 0.000 0.957 225 D HN 0.666 nan 8.370 nan 0.000 0.484 226 E N 0.980 121.176 120.200 -0.007 0.000 2.031 226 E HA -0.214 4.137 4.350 0.001 0.000 0.193 226 E C 1.932 178.532 176.600 -0.000 0.000 0.994 226 E CA 0.994 57.393 56.400 -0.001 0.000 0.800 226 E CB 0.080 29.783 29.700 0.006 0.000 0.752 226 E HN 0.225 nan 8.360 nan 0.000 0.447 227 E N 0.117 120.317 120.200 -0.001 0.000 2.058 227 E HA -0.243 4.108 4.350 0.001 0.000 0.194 227 E C 1.695 178.295 176.600 -0.001 0.000 0.997 227 E CA 1.656 58.057 56.400 0.001 0.000 0.801 227 E CB -0.023 29.674 29.700 -0.004 0.000 0.746 227 E HN 0.266 nan 8.360 nan 0.000 0.450 228 D N 0.171 120.567 120.400 -0.006 0.000 2.133 228 D HA -0.186 4.455 4.640 0.001 0.000 0.195 228 D C 1.669 177.966 176.300 -0.004 0.000 0.997 228 D CA 1.550 55.546 54.000 -0.007 0.000 0.840 228 D CB -0.367 40.427 40.800 -0.010 0.000 0.947 228 D HN 0.309 nan 8.370 nan 0.000 0.452 229 A N -0.043 122.772 122.820 -0.008 0.000 2.209 229 A HA 0.007 4.328 4.320 0.001 0.000 0.212 229 A C 2.136 179.709 177.584 -0.018 0.000 1.158 229 A CA 0.305 52.334 52.037 -0.013 0.000 0.742 229 A CB -0.508 18.483 19.000 -0.016 0.000 0.790 229 A HN 0.224 nan 8.150 nan 0.000 0.472 230 L N -1.110 120.109 121.223 -0.006 0.000 2.395 230 L HA 0.074 4.415 4.340 0.001 0.000 0.218 230 L C 1.690 178.586 176.870 0.043 0.000 1.130 230 L CA 0.552 55.390 54.840 -0.002 0.000 0.826 230 L CB -0.385 41.685 42.059 0.019 0.000 0.941 230 L HN 0.559 nan 8.230 nan 0.000 0.451 231 G N 1.396 110.224 108.800 0.045 0.000 2.323 231 G HA2 -0.288 3.673 3.960 0.001 0.000 0.292 231 G HA3 -0.288 3.673 3.960 0.001 0.000 0.292 231 G C 0.227 175.230 174.900 0.172 0.000 1.040 231 G CA -0.068 45.079 45.100 0.078 0.000 0.942 231 G HN 0.244 nan 8.290 nan 0.000 0.506 232 L N -0.110 121.168 121.223 0.091 0.000 2.483 232 L HA 0.213 4.554 4.340 0.001 0.000 0.275 232 L C -1.167 175.589 176.870 -0.189 0.000 1.220 232 L CA -1.629 53.177 54.840 -0.057 0.000 0.833 232 L CB 0.054 42.084 42.059 -0.049 0.000 1.102 232 L HN 0.017 nan 8.230 nan 0.000 0.490 233 P HA -0.000 nan 4.420 nan 0.000 0.264 233 P C -0.671 176.530 177.300 -0.165 0.000 1.183 233 P CA 0.201 63.131 63.100 -0.284 0.000 0.763 233 P CB 0.676 32.179 31.700 -0.329 0.000 0.807 234 S N 0.896 116.519 115.700 -0.129 0.000 2.840 234 S HA 0.802 5.273 4.470 0.001 0.000 0.307 234 S C 0.555 175.114 174.600 -0.069 0.000 1.180 234 S CA -0.113 58.040 58.200 -0.078 0.000 0.846 234 S CB 1.157 64.325 63.200 -0.054 0.000 1.233 234 S HN 0.768 nan 8.310 nan 0.000 0.548 235 G N 1.452 110.230 108.800 -0.037 0.000 2.622 235 G HA2 -0.356 3.604 3.960 0.001 0.000 0.307 235 G HA3 -0.356 3.604 3.960 0.001 0.000 0.307 235 G C 0.348 175.243 174.900 -0.008 0.000 1.226 235 G CA 0.980 46.068 45.100 -0.020 0.000 0.997 235 G HN 0.823 nan 8.290 nan 0.000 0.551 236 D N 0.902 121.299 120.400 -0.005 0.000 2.203 236 D HA -0.094 4.547 4.640 0.001 0.000 0.199 236 D C 2.448 178.761 176.300 0.023 0.000 0.997 236 D CA 1.480 55.495 54.000 0.026 0.000 0.863 236 D CB -0.130 40.684 40.800 0.024 0.000 0.928 236 D HN 0.538 nan 8.370 nan 0.000 0.458 237 R N 0.189 120.615 120.500 -0.123 0.000 2.388 237 R HA 0.170 4.510 4.340 0.001 0.000 0.247 237 R C 0.328 176.577 176.300 -0.086 0.000 0.931 237 R CA -0.079 55.815 56.100 -0.344 0.000 1.082 237 R CB 0.565 30.462 30.300 -0.672 0.000 1.135 237 R HN 0.166 nan 8.270 nan 0.000 0.525 238 E N 1.622 121.831 120.200 0.015 0.000 2.155 238 E HA 0.313 4.664 4.350 0.001 0.000 0.264 238 E C -1.086 175.578 176.600 0.107 0.000 0.886 238 E CA -0.445 55.989 56.400 0.058 0.000 0.752 238 E CB 0.958 30.666 29.700 0.014 0.000 1.133 238 E HN 0.077 nan 8.360 nan 0.000 0.414 239 I N 6.601 127.263 120.570 0.154 0.000 2.420 239 I HA 0.312 4.483 4.170 0.001 0.000 0.282 239 I C -2.293 173.897 176.117 0.121 0.000 1.019 239 I CA -2.578 58.813 61.300 0.152 0.000 1.130 239 I CB 1.674 39.803 38.000 0.214 0.000 1.262 239 I HN 0.374 nan 8.210 nan 0.000 0.454 240 P HA 0.163 nan 4.420 nan 0.000 0.265 240 P C -0.909 176.436 177.300 0.074 0.000 1.193 240 P CA 0.101 63.248 63.100 0.078 0.000 0.765 240 P CB 0.543 32.285 31.700 0.070 0.000 0.823 241 L N 3.948 125.210 121.223 0.065 0.000 2.415 241 L HA 0.350 4.691 4.340 0.001 0.000 0.268 241 L C -0.637 176.245 176.870 0.020 0.000 0.984 241 L CA -0.702 54.166 54.840 0.046 0.000 0.853 241 L CB 1.141 43.234 42.059 0.056 0.000 1.215 241 L HN 0.168 nan 8.230 nan 0.000 0.419 242 L N 5.500 126.747 121.223 0.040 0.000 2.264 242 L HA 0.476 4.817 4.340 0.001 0.000 0.287 242 L C 0.154 177.051 176.870 0.044 0.000 1.039 242 L CA -0.086 54.787 54.840 0.056 0.000 0.829 242 L CB 1.043 43.227 42.059 0.208 0.000 1.211 242 L HN 0.440 nan 8.230 nan 0.000 0.427 243 I N 0.714 121.240 120.570 -0.072 0.000 2.392 243 I HA 0.971 5.142 4.170 0.001 0.000 0.295 243 I C -0.337 175.711 176.117 -0.116 0.000 0.985 243 I CA -0.473 60.747 61.300 -0.133 0.000 1.221 243 I CB 1.818 39.620 38.000 -0.331 0.000 1.366 243 I HN 0.621 nan 8.210 nan 0.000 0.467 244 A N 4.721 127.522 122.820 -0.032 0.000 2.547 244 A HA 0.507 4.828 4.320 0.001 0.000 0.297 244 A C -1.301 176.393 177.584 0.184 0.000 1.056 244 A CA -0.732 51.329 52.037 0.040 0.000 0.688 244 A CB 1.399 20.304 19.000 -0.159 0.000 1.282 244 A HN 0.870 nan 8.150 nan 0.000 0.400 245 D N 1.697 122.284 120.400 0.311 0.000 2.264 245 D HA 0.596 5.237 4.640 0.001 0.000 0.249 245 D C -0.296 176.220 176.300 0.360 0.000 1.070 245 D CA -0.248 53.955 54.000 0.339 0.000 0.912 245 D CB 0.900 41.873 40.800 0.288 0.000 1.193 245 D HN 0.342 nan 8.370 nan 0.000 0.427 246 R N 1.395 122.107 120.500 0.355 0.000 2.837 246 R HA 0.500 4.840 4.340 0.001 0.000 0.271 246 R C -0.561 176.053 176.300 0.524 0.000 0.993 246 R CA -0.885 55.444 56.100 0.382 0.000 0.931 246 R CB 1.331 31.742 30.300 0.185 0.000 1.206 246 R HN 0.557 nan 8.270 nan 0.000 0.474 247 N N 0.734 119.764 118.700 0.549 0.000 2.362 247 N HA 0.585 5.326 4.740 0.001 0.000 0.299 247 N C -1.138 174.548 175.510 0.294 0.000 1.170 247 N CA -0.531 52.808 53.050 0.481 0.000 0.825 247 N CB 1.416 40.179 38.487 0.459 0.000 1.299 247 N HN 0.395 nan 8.380 nan 0.000 0.502 248 L N 0.396 121.777 121.223 0.263 0.000 2.341 248 L HA 0.454 4.795 4.340 0.001 0.000 0.267 248 L C 0.024 176.954 176.870 0.100 0.000 1.009 248 L CA -1.017 53.873 54.840 0.084 0.000 0.819 248 L CB 1.764 43.766 42.059 -0.096 0.000 1.323 248 L HN 0.443 nan 8.230 nan 0.000 0.425 249 D N 0.450 120.883 120.400 0.054 0.000 2.383 249 D HA 0.422 5.062 4.640 0.001 0.000 0.248 249 D C -0.587 175.737 176.300 0.041 0.000 1.170 249 D CA 0.072 54.105 54.000 0.055 0.000 0.977 249 D CB 1.655 42.479 40.800 0.039 0.000 1.120 249 D HN 0.627 nan 8.370 nan 0.000 0.481 250 T N -1.097 113.483 114.554 0.044 0.000 2.907 250 T HA 0.456 4.807 4.350 0.001 0.000 0.292 250 T C -0.122 174.595 174.700 0.028 0.000 1.043 250 T CA -0.986 61.135 62.100 0.035 0.000 1.003 250 T CB 1.691 70.587 68.868 0.046 0.000 1.084 250 T HN 0.092 nan 8.240 nan 0.000 0.483 251 D N 0.460 120.873 120.400 0.022 0.000 2.398 251 D HA 0.174 4.815 4.640 0.001 0.000 0.264 251 D C 1.224 177.536 176.300 0.020 0.000 1.263 251 D CA -0.625 53.386 54.000 0.019 0.000 1.037 251 D CB 0.557 41.366 40.800 0.014 0.000 1.101 251 D HN 0.864 nan 8.370 nan 0.000 0.551 252 E N -0.448 119.762 120.200 0.017 0.000 2.285 252 E HA -0.136 4.214 4.350 0.001 0.000 0.194 252 E C 0.248 176.858 176.600 0.017 0.000 0.997 252 E CA 0.531 56.941 56.400 0.017 0.000 0.845 252 E CB 0.189 29.897 29.700 0.013 0.000 0.782 252 E HN 0.352 nan 8.360 nan 0.000 0.491 253 D N -1.432 118.978 120.400 0.016 0.000 2.325 253 D HA 0.097 4.738 4.640 0.001 0.000 0.225 253 D C 1.113 177.425 176.300 0.020 0.000 1.096 253 D CA 0.612 54.622 54.000 0.016 0.000 0.844 253 D CB 0.352 41.160 40.800 0.013 0.000 0.925 253 D HN 0.224 nan 8.370 nan 0.000 0.513 254 G N 0.206 109.021 108.800 0.024 0.000 2.176 254 G HA2 -0.300 3.661 3.960 0.001 0.000 0.253 254 G HA3 -0.300 3.661 3.960 0.001 0.000 0.253 254 G C 0.247 175.166 174.900 0.031 0.000 0.979 254 G CA -0.377 44.742 45.100 0.032 0.000 0.641 254 G HN 0.326 nan 8.290 nan 0.000 0.530 255 R N 0.121 120.634 120.500 0.022 0.000 2.442 255 R HA 0.356 4.697 4.340 0.001 0.000 0.291 255 R C 1.036 177.341 176.300 0.009 0.000 1.069 255 R CA -0.416 55.692 56.100 0.014 0.000 1.022 255 R CB 0.426 30.731 30.300 0.007 0.000 0.976 255 R HN 0.354 nan 8.270 nan 0.000 0.443 256 L N 3.651 124.870 121.223 -0.006 0.000 2.499 256 L HA -0.105 4.236 4.340 0.001 0.000 0.273 256 L C 1.327 178.177 176.870 -0.033 0.000 1.195 256 L CA 0.371 55.192 54.840 -0.032 0.000 0.882 256 L CB 0.161 42.162 42.059 -0.095 0.000 1.133 256 L HN 0.708 nan 8.230 nan 0.000 0.483 257 N N 0.606 119.292 118.700 -0.023 0.000 2.171 257 N HA 0.157 4.898 4.740 0.001 0.000 0.212 257 N C 0.866 176.376 175.510 -0.001 0.000 1.184 257 N CA 0.285 53.331 53.050 -0.006 0.000 0.888 257 N CB 1.180 39.674 38.487 0.012 0.000 1.038 257 N HN 0.720 nan 8.380 nan 0.000 0.517 258 G N 0.276 109.056 108.800 -0.034 0.000 2.199 258 G HA2 -0.327 3.634 3.960 0.001 0.000 0.254 258 G HA3 -0.327 3.634 3.960 0.001 0.000 0.254 258 G C -0.137 174.755 174.900 -0.014 0.000 0.982 258 G CA -0.024 45.059 45.100 -0.030 0.000 0.632 258 G HN 0.421 nan 8.290 nan 0.000 0.529 259 R N 0.223 120.721 120.500 -0.004 0.000 2.389 259 R HA 0.465 4.806 4.340 0.001 0.000 0.295 259 R C 0.765 177.050 176.300 -0.025 0.000 1.075 259 R CA -0.551 55.541 56.100 -0.013 0.000 1.005 259 R CB 0.689 30.991 30.300 0.003 0.000 0.987 259 R HN 0.284 nan 8.270 nan 0.000 0.452 260 L N 4.133 125.323 121.223 -0.055 0.000 2.559 260 L HA 0.004 4.345 4.340 0.001 0.000 0.274 260 L C -0.122 176.745 176.870 -0.005 0.000 1.205 260 L CA 0.115 54.928 54.840 -0.045 0.000 0.907 260 L CB 0.053 42.052 42.059 -0.100 0.000 1.153 260 L HN 0.347 nan 8.230 nan 0.000 0.490 261 L N 4.594 125.844 121.223 0.045 0.000 2.377 261 L HA 0.275 4.616 4.340 0.001 0.000 0.270 261 L C -0.187 176.760 176.870 0.129 0.000 0.991 261 L CA -0.140 54.759 54.840 0.098 0.000 0.851 261 L CB 0.966 43.100 42.059 0.125 0.000 1.218 261 L HN 0.438 nan 8.230 nan 0.000 0.420 262 H N 5.618 124.699 119.070 0.018 0.000 3.008 262 H HA 0.201 4.758 4.556 0.001 0.000 0.268 262 H C -0.897 174.576 175.328 0.242 0.000 1.323 262 H CA -0.101 55.944 56.048 -0.004 0.000 1.401 262 H CB 0.518 30.370 29.762 0.149 0.000 1.556 262 H HN 0.555 nan 8.280 nan 0.000 0.502 263 K N 4.659 125.221 120.400 0.269 0.000 2.339 263 K HA 0.194 4.514 4.320 0.001 0.000 0.264 263 K C -0.680 176.003 176.600 0.138 0.000 0.986 263 K CA -0.548 55.864 56.287 0.208 0.000 0.866 263 K CB 0.796 33.410 32.500 0.191 0.000 1.103 263 K HN 0.627 nan 8.250 nan 0.000 0.441 264 T N -0.742 113.883 114.554 0.118 0.000 2.950 264 T HA 0.529 4.880 4.350 0.001 0.000 0.288 264 T C -0.190 174.565 174.700 0.093 0.000 1.035 264 T CA -0.814 61.339 62.100 0.089 0.000 1.028 264 T CB 1.730 70.669 68.868 0.118 0.000 1.109 264 T HN 0.141 nan 8.240 nan 0.000 0.514 265 V N 1.561 121.526 119.914 0.085 0.000 2.513 265 V HA 0.443 4.564 4.120 0.001 0.000 0.299 265 V C 0.007 176.150 176.094 0.082 0.000 1.035 265 V CA -1.031 61.312 62.300 0.071 0.000 0.889 265 V CB 1.486 33.337 31.823 0.048 0.000 0.988 265 V HN 0.847 nan 8.190 nan 0.000 0.440 266 I N 4.393 125.006 120.570 0.072 0.000 2.337 266 I HA 0.132 4.303 4.170 0.001 0.000 0.291 266 I C 1.036 177.189 176.117 0.060 0.000 1.046 266 I CA 0.053 61.398 61.300 0.074 0.000 1.324 266 I CB 1.560 39.600 38.000 0.066 0.000 1.409 266 I HN 0.647 nan 8.210 nan 0.000 0.494 267 V N 2.190 122.145 119.914 0.067 0.000 3.644 267 V HA 0.215 4.336 4.120 0.001 0.000 0.267 267 V C 0.517 176.637 176.094 0.044 0.000 1.277 267 V CA 0.278 62.610 62.300 0.053 0.000 1.096 267 V CB -0.266 31.593 31.823 0.061 0.000 0.828 267 V HN 0.818 nan 8.190 nan 0.000 0.446 268 Q N 0.337 120.165 119.800 0.048 0.000 2.295 268 Q HA 0.302 4.642 4.340 0.001 0.000 0.259 268 Q C 0.409 176.431 176.000 0.036 0.000 0.966 268 Q CA -0.420 55.404 55.803 0.035 0.000 0.763 268 Q CB 2.146 30.900 28.738 0.026 0.000 1.283 268 Q HN 0.275 nan 8.270 nan 0.000 0.445 269 Q N 1.358 121.176 119.800 0.031 0.000 2.084 269 Q HA 0.021 4.362 4.340 0.001 0.000 0.202 269 Q C -0.163 175.855 176.000 0.029 0.000 0.978 269 Q CA 1.402 57.224 55.803 0.032 0.000 0.844 269 Q CB 0.372 29.125 28.738 0.026 0.000 0.898 269 Q HN 0.355 nan 8.270 nan 0.000 0.426 270 S N 0.000 115.714 115.700 0.022 0.000 2.672 270 S HA 0.436 4.907 4.470 0.001 0.000 0.291 270 S C -1.377 173.230 174.600 0.011 0.000 1.145 270 S CA -0.883 57.328 58.200 0.018 0.000 1.013 270 S CB 0.503 63.713 63.200 0.017 0.000 1.017 270 S HN 0.412 nan 8.310 nan 0.000 0.487 271 N N 5.184 123.886 118.700 0.005 0.000 2.458 271 N HA 0.405 5.146 4.740 0.001 0.000 0.270 271 N C -1.700 173.808 175.510 -0.004 0.000 1.102 271 N CA -1.733 51.312 53.050 -0.009 0.000 0.967 271 N CB 1.254 39.719 38.487 -0.037 0.000 1.078 271 N HN 0.249 nan 8.380 nan 0.000 0.471 272 P HA -0.184 nan 4.420 nan 0.000 0.216 272 P C 0.346 177.648 177.300 0.003 0.000 1.154 272 P CA 1.527 64.628 63.100 0.002 0.000 0.865 272 P CB 0.233 31.935 31.700 0.004 0.000 0.789 273 E N -1.176 119.024 120.200 -0.000 0.000 2.072 273 E HA -0.052 4.298 4.350 0.001 0.000 0.190 273 E C 1.093 177.697 176.600 0.007 0.000 0.982 273 E CA 1.164 57.567 56.400 0.005 0.000 0.803 273 E CB -0.243 29.462 29.700 0.007 0.000 0.755 273 E HN 0.387 nan 8.360 nan 0.000 0.453 274 T N -3.741 110.814 114.554 0.002 0.000 2.889 274 T HA 0.418 4.769 4.350 0.001 0.000 0.278 274 T C 1.323 176.031 174.700 0.013 0.000 0.995 274 T CA -0.341 61.766 62.100 0.012 0.000 0.966 274 T CB 1.456 70.333 68.868 0.016 0.000 1.237 274 T HN -0.008 nan 8.240 nan 0.000 0.591 275 G N 0.014 108.827 108.800 0.020 0.000 2.408 275 G HA2 0.026 3.987 3.960 0.001 0.000 0.217 275 G HA3 0.026 3.987 3.960 0.001 0.000 0.217 275 G C 0.667 175.581 174.900 0.024 0.000 1.150 275 G CA 0.333 45.446 45.100 0.021 0.000 0.776 275 G HN 0.627 nan 8.290 nan 0.000 0.542 276 K N 1.252 121.670 120.400 0.031 0.000 2.202 276 K HA 0.237 4.558 4.320 0.001 0.000 0.264 276 K C -2.268 174.359 176.600 0.046 0.000 1.010 276 K CA -1.774 54.541 56.287 0.047 0.000 0.940 276 K CB 1.135 33.678 32.500 0.073 0.000 0.983 276 K HN 0.056 nan 8.250 nan 0.000 0.475 277 P HA 0.056 nan 4.420 nan 0.000 0.271 277 P C -0.563 176.793 177.300 0.092 0.000 1.233 277 P CA -0.254 62.886 63.100 0.066 0.000 0.789 277 P CB 0.584 32.327 31.700 0.072 0.000 0.951 278 V N 1.123 121.092 119.914 0.092 0.000 2.531 278 V HA 0.385 4.506 4.120 0.001 0.000 0.301 278 V C 0.292 176.474 176.094 0.145 0.000 1.034 278 V CA -0.324 62.056 62.300 0.135 0.000 0.865 278 V CB 1.630 33.493 31.823 0.066 0.000 0.995 278 V HN 0.806 nan 8.190 nan 0.000 0.424 279 S N 5.055 120.866 115.700 0.186 0.000 2.600 279 S HA 0.838 5.309 4.470 0.001 0.000 0.300 279 S C -0.327 174.382 174.600 0.182 0.000 1.087 279 S CA -0.866 57.431 58.200 0.162 0.000 0.965 279 S CB 2.002 65.296 63.200 0.156 0.000 1.089 279 S HN 0.744 nan 8.310 nan 0.000 0.496 280 I N -1.706 118.961 120.570 0.161 0.000 3.156 280 I HA 0.571 4.742 4.170 0.001 0.000 0.306 280 I C -2.687 173.502 176.117 0.120 0.000 1.048 280 I CA -2.612 58.800 61.300 0.187 0.000 1.207 280 I CB -0.379 37.744 38.000 0.206 0.000 1.456 280 I HN 0.328 nan 8.210 nan 0.000 0.616 281 P HA 0.107 nan 4.420 nan 0.000 0.275 281 P C -1.035 176.008 177.300 -0.429 0.000 1.270 281 P CA -0.156 62.802 63.100 -0.237 0.000 0.791 281 P CB 0.263 31.690 31.700 -0.456 0.000 1.089 282 F N 1.079 120.613 119.950 -0.694 0.000 2.410 282 F HA 0.519 5.047 4.527 0.001 0.000 0.348 282 F C -1.044 174.148 175.800 -1.012 0.000 1.106 282 F CA 0.063 57.649 58.000 -0.692 0.000 1.163 282 F CB -0.074 38.550 39.000 -0.626 0.000 1.129 282 F HN 0.053 nan 8.300 nan 0.000 0.516 283 F N 3.700 122.887 119.950 -1.273 0.000 2.581 283 F HA 0.685 5.213 4.527 0.001 0.000 0.311 283 F C 0.220 175.251 175.800 -1.282 0.000 1.113 283 F CA -0.970 56.413 58.000 -1.028 0.000 0.935 283 F CB 1.922 40.616 39.000 -0.511 0.000 1.232 283 F HN 0.674 nan 8.300 nan 0.000 0.445 284 G N 1.328 109.715 108.800 -0.687 0.000 2.619 284 G HA2 0.619 4.580 3.960 0.001 0.000 0.296 284 G HA3 0.619 4.580 3.960 0.001 0.000 0.296 284 G C -2.675 172.162 174.900 -0.105 0.000 1.334 284 G CA -1.704 43.219 45.100 -0.295 0.000 0.934 284 G HN 0.300 nan 8.290 nan 0.000 0.476 285 P HA 0.067 nan 4.420 nan 0.000 0.235 285 P C -0.453 176.804 177.300 -0.071 0.000 1.177 285 P CA 0.485 63.472 63.100 -0.188 0.000 0.785 285 P CB 0.169 31.652 31.700 -0.361 0.000 0.885 286 Y N -0.275 120.162 120.300 0.229 0.000 2.320 286 Y HA 0.386 4.937 4.550 0.001 0.000 0.334 286 Y C 0.909 176.876 175.900 0.111 0.000 1.055 286 Y CA -0.614 57.512 58.100 0.044 0.000 1.143 286 Y CB 0.751 39.050 38.460 -0.269 0.000 1.193 286 Y HN -0.359 nan 8.280 nan 0.000 0.477 287 T N 2.723 117.465 114.554 0.313 0.000 2.743 287 T HA 0.276 4.626 4.350 0.001 0.000 0.292 287 T C -0.025 174.728 174.700 0.088 0.000 0.972 287 T CA -0.857 61.443 62.100 0.333 0.000 0.967 287 T CB 0.228 69.431 68.868 0.559 0.000 0.926 287 T HN 0.706 nan 8.240 nan 0.000 0.459 288 T N 0.650 115.250 114.554 0.077 0.000 2.837 288 T HA 0.649 5.000 4.350 0.001 0.000 0.285 288 T C -0.295 174.432 174.700 0.044 0.000 0.984 288 T CA -0.721 61.400 62.100 0.036 0.000 1.049 288 T CB 0.870 69.773 68.868 0.059 0.000 0.947 288 T HN 0.249 nan 8.240 nan 0.000 0.472 289 V N 4.074 124.012 119.914 0.040 0.000 2.407 289 V HA 0.378 4.498 4.120 0.001 0.000 0.291 289 V C -0.147 175.966 176.094 0.031 0.000 1.018 289 V CA -1.096 61.219 62.300 0.024 0.000 0.842 289 V CB 0.735 32.561 31.823 0.006 0.000 0.996 289 V HN 1.035 nan 8.190 nan 0.000 0.426 290 N N 3.857 122.592 118.700 0.059 0.000 2.721 290 N HA -0.206 4.535 4.740 0.001 0.000 0.249 290 N C 1.165 176.698 175.510 0.039 0.000 1.072 290 N CA 1.706 54.785 53.050 0.048 0.000 0.710 290 N CB -1.142 37.355 38.487 0.017 0.000 0.993 290 N HN 1.583 nan 8.380 nan 0.000 0.547 291 G N -1.389 107.461 108.800 0.084 0.000 2.148 291 G HA2 -0.361 3.600 3.960 0.001 0.000 0.254 291 G HA3 -0.361 3.600 3.960 0.001 0.000 0.254 291 G C 0.054 174.968 174.900 0.023 0.000 0.981 291 G CA 0.572 45.712 45.100 0.066 0.000 0.670 291 G HN 0.595 nan 8.290 nan 0.000 0.528 292 R N -0.583 119.922 120.500 0.008 0.000 2.599 292 R HA 0.571 4.911 4.340 0.001 0.000 0.295 292 R C 0.390 176.669 176.300 -0.034 0.000 0.963 292 R CA -1.035 55.053 56.100 -0.021 0.000 0.883 292 R CB 1.392 31.667 30.300 -0.042 0.000 1.171 292 R HN 0.221 nan 8.270 nan 0.000 0.450 293 I N 3.970 124.484 120.570 -0.093 0.000 2.581 293 I HA -0.088 4.083 4.170 0.001 0.000 0.285 293 I C -0.059 176.019 176.117 -0.065 0.000 1.129 293 I CA 0.355 61.491 61.300 -0.272 0.000 1.397 293 I CB 0.183 37.872 38.000 -0.518 0.000 1.399 293 I HN 0.639 nan 8.210 nan 0.000 0.537 294 W N 5.470 126.836 121.300 0.110 0.000 6.199 294 W HA -0.146 4.515 4.660 0.001 0.000 0.416 294 W C -2.339 174.309 176.519 0.215 0.000 1.636 294 W CA -0.949 56.479 57.345 0.138 0.000 1.040 294 W CB -2.412 27.023 29.460 -0.042 0.000 2.854 294 W HN 0.325 nan 8.180 nan 0.000 1.467 295 P HA 0.323 nan 4.420 nan 0.000 0.276 295 P C -0.356 177.014 177.300 0.115 0.000 1.261 295 P CA 0.063 63.217 63.100 0.090 0.000 0.800 295 P CB 0.857 32.510 31.700 -0.078 0.000 1.066 296 Y N -1.529 118.781 120.300 0.016 0.000 2.487 296 Y HA 0.798 5.349 4.550 0.001 0.000 0.337 296 Y C -0.935 174.848 175.900 -0.194 0.000 1.076 296 Y CA -1.816 56.184 58.100 -0.167 0.000 1.115 296 Y CB 0.975 39.357 38.460 -0.129 0.000 1.235 296 Y HN 0.508 nan 8.280 nan 0.000 0.468 297 A N 2.511 125.234 122.820 -0.162 0.000 2.330 297 A HA 0.484 4.804 4.320 0.001 0.000 0.313 297 A C -1.412 176.175 177.584 0.004 0.000 1.124 297 A CA -0.863 51.095 52.037 -0.131 0.000 0.774 297 A CB 0.519 19.382 19.000 -0.228 0.000 1.198 297 A HN 0.768 nan 8.150 nan 0.000 0.465 298 D N 1.903 122.344 120.400 0.068 0.000 2.317 298 D HA 0.423 5.063 4.640 0.001 0.000 0.252 298 D C 0.276 176.558 176.300 -0.030 0.000 1.174 298 D CA 0.446 54.463 54.000 0.030 0.000 0.866 298 D CB 1.477 42.322 40.800 0.075 0.000 1.127 298 D HN 0.556 nan 8.370 nan 0.000 0.467 299 V N -0.343 119.486 119.914 -0.142 0.000 3.102 299 V HA 0.601 4.722 4.120 0.001 0.000 0.312 299 V C -0.269 175.770 176.094 -0.092 0.000 1.135 299 V CA -1.027 61.147 62.300 -0.211 0.000 1.022 299 V CB 2.495 33.859 31.823 -0.766 0.000 1.056 299 V HN 0.127 nan 8.190 nan 0.000 0.436 300 D N 1.424 121.916 120.400 0.153 0.000 2.387 300 D HA 0.295 4.935 4.640 0.001 0.000 0.251 300 D C -0.303 176.102 176.300 0.175 0.000 1.141 300 D CA 0.034 54.130 54.000 0.161 0.000 0.987 300 D CB 1.035 41.967 40.800 0.219 0.000 1.116 300 D HN 0.936 nan 8.370 nan 0.000 0.491 301 D N -0.197 120.275 120.400 0.121 0.000 2.671 301 D HA 0.267 4.908 4.640 0.001 0.000 0.228 301 D C 0.335 176.734 176.300 0.166 0.000 1.102 301 D CA -0.525 53.552 54.000 0.128 0.000 1.044 301 D CB -0.286 40.550 40.800 0.061 0.000 1.113 301 D HN 0.312 nan 8.370 nan 0.000 0.480 302 G N -0.420 108.548 108.800 0.281 0.000 2.921 302 G HA2 0.444 4.405 3.960 0.001 0.000 0.291 302 G HA3 0.444 4.405 3.960 0.001 0.000 0.291 302 G C -1.509 173.530 174.900 0.232 0.000 1.370 302 G CA -1.277 43.955 45.100 0.219 0.000 0.847 302 G HN 0.178 nan 8.290 nan 0.000 0.532 303 W N -0.190 121.140 121.300 0.049 0.000 2.238 303 W HA 0.587 5.248 4.660 0.001 0.000 0.321 303 W C -0.722 175.717 176.519 -0.133 0.000 1.293 303 W CA 0.308 57.612 57.345 -0.070 0.000 1.204 303 W CB 0.659 29.951 29.460 -0.280 0.000 1.167 303 W HN 0.285 nan 8.180 nan 0.000 0.553 304 Y N 1.607 121.957 120.300 0.083 0.000 2.536 304 Y HA 0.476 5.027 4.550 0.001 0.000 0.347 304 Y C -0.037 175.875 175.900 0.020 0.000 1.000 304 Y CA -1.726 56.410 58.100 0.059 0.000 1.051 304 Y CB 2.011 40.548 38.460 0.129 0.000 1.259 304 Y HN 0.274 nan 8.280 nan 0.000 0.468 305 R N 3.240 123.823 120.500 0.138 0.000 2.437 305 R HA 0.697 5.038 4.340 0.001 0.000 0.310 305 R C -2.109 174.279 176.300 0.147 0.000 0.955 305 R CA -0.504 55.650 56.100 0.091 0.000 0.851 305 R CB 0.710 31.009 30.300 -0.000 0.000 1.161 305 R HN 0.752 nan 8.270 nan 0.000 0.446 306 L N 4.971 126.279 121.223 0.142 0.000 2.333 306 L HA 0.559 4.900 4.340 0.001 0.000 0.280 306 L C -0.094 176.849 176.870 0.121 0.000 1.004 306 L CA -1.150 53.781 54.840 0.153 0.000 0.820 306 L CB 1.771 43.934 42.059 0.174 0.000 1.247 306 L HN 0.449 nan 8.230 nan 0.000 0.416 307 R N 3.599 124.161 120.500 0.104 0.000 2.522 307 R HA 0.361 4.702 4.340 0.001 0.000 0.290 307 R C -0.768 175.578 176.300 0.077 0.000 1.216 307 R CA -0.781 55.369 56.100 0.083 0.000 1.250 307 R CB 0.491 30.830 30.300 0.064 0.000 1.143 307 R HN 0.356 nan 8.270 nan 0.000 0.553 308 L N 2.374 123.659 121.223 0.104 0.000 2.290 308 L HA 0.410 4.750 4.340 0.001 0.000 0.284 308 L C -0.564 176.341 176.870 0.057 0.000 1.078 308 L CA -0.520 54.378 54.840 0.096 0.000 0.815 308 L CB 1.573 43.722 42.059 0.150 0.000 1.162 308 L HN 0.210 nan 8.230 nan 0.000 0.435 309 V N 5.918 125.790 119.914 -0.070 0.000 2.709 309 V HA 0.499 4.620 4.120 0.001 0.000 0.308 309 V C -0.801 175.113 176.094 -0.301 0.000 1.062 309 V CA -0.816 61.323 62.300 -0.268 0.000 0.901 309 V CB 2.054 33.554 31.823 -0.538 0.000 1.003 309 V HN 0.910 nan 8.190 nan 0.000 0.425 310 N N 5.139 123.653 118.700 -0.310 0.000 2.415 310 N HA 0.409 5.149 4.740 0.001 0.000 0.246 310 N C 0.329 175.566 175.510 -0.456 0.000 1.078 310 N CA 0.352 53.258 53.050 -0.240 0.000 0.942 310 N CB 1.649 40.115 38.487 -0.035 0.000 1.140 310 N HN 0.805 nan 8.380 nan 0.000 0.501 311 A N 2.540 125.112 122.820 -0.413 0.000 2.415 311 A HA 0.214 4.535 4.320 0.001 0.000 0.248 311 A C 0.588 178.043 177.584 -0.215 0.000 1.299 311 A CA -0.367 51.394 52.037 -0.460 0.000 0.899 311 A CB -0.170 18.589 19.000 -0.402 0.000 0.997 311 A HN 0.532 nan 8.150 nan 0.000 0.506 312 S N 0.468 116.115 115.700 -0.088 0.000 2.593 312 S HA 0.087 4.557 4.470 0.001 0.000 0.269 312 S C 1.147 175.760 174.600 0.023 0.000 1.334 312 S CA -0.413 57.798 58.200 0.018 0.000 1.015 312 S CB 0.601 63.887 63.200 0.143 0.000 0.912 312 S HN 0.576 nan 8.310 nan 0.000 0.541 313 N N 1.513 120.231 118.700 0.030 0.000 2.120 313 N HA -0.054 4.687 4.740 0.001 0.000 0.188 313 N C 1.081 176.562 175.510 -0.049 0.000 1.024 313 N CA 1.593 54.634 53.050 -0.015 0.000 0.852 313 N CB -0.096 38.386 38.487 -0.009 0.000 1.003 313 N HN 0.663 nan 8.380 nan 0.000 0.424 314 A N -1.392 121.356 122.820 -0.119 0.000 2.574 314 A HA 0.173 4.494 4.320 0.001 0.000 0.170 314 A C 0.635 178.188 177.584 -0.052 0.000 1.617 314 A CA -0.423 51.494 52.037 -0.200 0.000 1.189 314 A CB 0.198 18.862 19.000 -0.560 0.000 1.496 314 A HN 0.104 nan 8.150 nan 0.000 0.505 315 R N 0.982 121.464 120.500 -0.029 0.000 2.491 315 R HA 0.441 4.782 4.340 0.001 0.000 0.283 315 R C -1.100 175.208 176.300 0.013 0.000 1.072 315 R CA -0.080 56.077 56.100 0.095 0.000 1.048 315 R CB 0.165 30.429 30.300 -0.060 0.000 0.983 315 R HN 0.344 nan 8.270 nan 0.000 0.450 316 I N 5.290 125.857 120.570 -0.005 0.000 2.312 316 I HA 0.117 4.288 4.170 0.001 0.000 0.291 316 I C -0.610 175.443 176.117 -0.107 0.000 1.031 316 I CA -0.533 60.761 61.300 -0.010 0.000 1.293 316 I CB 0.686 38.696 38.000 0.017 0.000 1.403 316 I HN 0.528 nan 8.210 nan 0.000 0.484 317 Y N 4.929 125.233 120.300 0.007 0.000 2.404 317 Y HA 0.169 4.720 4.550 0.002 0.000 0.344 317 Y C 0.249 176.126 175.900 -0.038 0.000 0.995 317 Y CA -0.142 57.951 58.100 -0.013 0.000 1.201 317 Y CB 0.371 38.819 38.460 -0.020 0.000 1.151 317 Y HN 0.500 nan 8.280 nan 0.000 0.517 318 N N 4.789 123.534 118.700 0.074 0.000 2.645 318 N HA 0.313 5.054 4.740 0.001 0.000 0.233 318 N C -1.275 174.270 175.510 0.058 0.000 1.058 318 N CA -0.266 52.811 53.050 0.044 0.000 0.942 318 N CB 0.439 38.933 38.487 0.011 0.000 1.210 318 N HN 0.430 nan 8.380 nan 0.000 0.512 319 L N 1.657 122.913 121.223 0.055 0.000 2.326 319 L HA 0.555 4.895 4.340 0.001 0.000 0.278 319 L C -0.258 176.608 176.870 -0.007 0.000 1.092 319 L CA -0.822 54.040 54.840 0.036 0.000 0.810 319 L CB 0.969 43.035 42.059 0.011 0.000 1.153 319 L HN 0.113 nan 8.230 nan 0.000 0.439 320 V N 3.779 123.582 119.914 -0.185 0.000 2.638 320 V HA 0.301 4.422 4.120 0.001 0.000 0.306 320 V C -0.498 175.193 176.094 -0.671 0.000 1.052 320 V CA -0.619 61.300 62.300 -0.637 0.000 0.885 320 V CB 2.278 33.846 31.823 -0.426 0.000 0.999 320 V HN 0.445 nan 8.190 nan 0.000 0.424 321 L N 7.086 127.621 121.223 -1.148 0.000 2.278 321 L HA 0.660 5.001 4.340 0.001 0.000 0.287 321 L C -0.296 176.333 176.870 -0.401 0.000 1.072 321 L CA 0.399 54.935 54.840 -0.506 0.000 0.819 321 L CB 0.439 42.351 42.059 -0.244 0.000 1.176 321 L HN 0.669 nan 8.230 nan 0.000 0.435 322 I N 1.343 121.791 120.570 -0.204 0.000 2.740 322 I HA 0.683 4.854 4.170 0.001 0.000 0.303 322 I C -0.723 175.355 176.117 -0.065 0.000 1.044 322 I CA -0.855 60.367 61.300 -0.131 0.000 1.064 322 I CB 1.938 39.871 38.000 -0.112 0.000 1.249 322 I HN 0.591 nan 8.210 nan 0.000 0.433 323 D N 2.525 122.896 120.400 -0.047 0.000 2.539 323 D HA 0.188 4.829 4.640 0.001 0.000 0.276 323 D C 0.590 176.872 176.300 -0.030 0.000 1.206 323 D CA -0.289 53.693 54.000 -0.031 0.000 1.081 323 D CB 0.582 41.369 40.800 -0.022 0.000 1.142 323 D HN 0.655 nan 8.370 nan 0.000 0.595 324 E N -1.012 119.172 120.200 -0.027 0.000 2.273 324 E HA -0.107 4.244 4.350 0.001 0.000 0.198 324 E C 0.307 176.896 176.600 -0.018 0.000 1.002 324 E CA 1.247 57.633 56.400 -0.023 0.000 0.828 324 E CB -0.090 29.595 29.700 -0.024 0.000 0.747 324 E HN 0.358 nan 8.360 nan 0.000 0.491 325 D N -0.514 119.874 120.400 -0.020 0.000 2.402 325 D HA 0.040 4.681 4.640 0.001 0.000 0.216 325 D C -0.517 175.770 176.300 -0.021 0.000 1.128 325 D CA 0.040 54.030 54.000 -0.018 0.000 0.833 325 D CB 0.363 41.154 40.800 -0.016 0.000 0.971 325 D HN -0.064 nan 8.370 nan 0.000 0.503 326 D N -0.019 120.365 120.400 -0.026 0.000 3.076 326 D HA -0.216 4.425 4.640 0.001 0.000 0.218 326 D C 0.364 176.640 176.300 -0.040 0.000 1.156 326 D CA 0.477 54.456 54.000 -0.035 0.000 0.921 326 D CB -1.209 39.572 40.800 -0.031 0.000 1.113 326 D HN 0.314 nan 8.370 nan 0.000 0.418 327 R N 0.743 121.223 120.500 -0.034 0.000 2.298 327 R HA 0.351 4.692 4.340 0.001 0.000 0.310 327 R C -2.447 173.827 176.300 -0.042 0.000 1.068 327 R CA -1.385 54.698 56.100 -0.028 0.000 0.957 327 R CB 0.775 31.066 30.300 -0.015 0.000 1.003 327 R HN -0.180 nan 8.270 nan 0.000 0.454 328 P HA -0.071 nan 4.420 nan 0.000 0.267 328 P C -1.102 176.209 177.300 0.019 0.000 1.200 328 P CA -0.030 63.034 63.100 -0.060 0.000 0.772 328 P CB 0.639 32.349 31.700 0.017 0.000 0.855 329 V N 5.259 125.199 119.914 0.044 0.000 2.293 329 V HA 0.296 4.417 4.120 0.001 0.000 0.275 329 V C -1.809 174.388 176.094 0.173 0.000 1.021 329 V CA -1.719 60.630 62.300 0.081 0.000 0.815 329 V CB 0.929 32.769 31.823 0.028 0.000 1.025 329 V HN 0.572 nan 8.190 nan 0.000 0.448 330 P HA 0.345 nan 4.420 nan 0.000 0.278 330 P C 0.771 178.047 177.300 -0.039 0.000 1.258 330 P CA 0.361 63.480 63.100 0.031 0.000 0.811 330 P CB 1.355 33.061 31.700 0.010 0.000 1.063 331 G N -0.246 108.485 108.800 -0.116 0.000 2.153 331 G HA2 -0.215 3.746 3.960 0.001 0.000 0.252 331 G HA3 -0.215 3.746 3.960 0.001 0.000 0.252 331 G C 0.417 175.231 174.900 -0.143 0.000 0.994 331 G CA 0.165 45.196 45.100 -0.115 0.000 0.698 331 G HN 0.440 nan 8.290 nan 0.000 0.521 332 V N -1.148 118.634 119.914 -0.220 0.000 3.250 332 V HA 0.248 4.369 4.120 0.001 0.000 0.240 332 V C 1.198 177.118 176.094 -0.290 0.000 1.275 332 V CA 1.067 63.228 62.300 -0.232 0.000 1.206 332 V CB 1.176 32.882 31.823 -0.194 0.000 0.976 332 V HN 0.234 nan 8.190 nan 0.000 0.467 333 V N 1.091 120.810 119.914 -0.325 0.000 2.481 333 V HA 0.505 4.625 4.120 0.001 0.000 0.286 333 V C -0.893 174.934 176.094 -0.446 0.000 1.042 333 V CA -0.419 61.736 62.300 -0.243 0.000 0.928 333 V CB 1.135 32.895 31.823 -0.104 0.000 0.986 333 V HN 0.564 nan 8.190 nan 0.000 0.462 334 H N 2.096 121.185 119.070 0.031 0.000 2.840 334 H HA 0.429 4.986 4.556 0.001 0.000 0.340 334 H C -0.480 174.885 175.328 0.061 0.000 1.004 334 H CA -0.415 55.669 56.048 0.060 0.000 1.288 334 H CB 1.390 31.249 29.762 0.161 0.000 1.607 334 H HN 0.658 nan 8.280 nan 0.000 0.522 335 Q N 3.294 123.169 119.800 0.125 0.000 2.267 335 Q HA 0.294 4.634 4.340 0.001 0.000 0.255 335 Q C 0.359 176.425 176.000 0.111 0.000 0.923 335 Q CA -0.303 55.575 55.803 0.125 0.000 0.925 335 Q CB 0.738 29.550 28.738 0.123 0.000 1.195 335 Q HN 0.900 nan 8.270 nan 0.000 0.417 336 I N 0.133 120.764 120.570 0.101 0.000 4.288 336 I HA 0.567 4.738 4.170 0.001 0.000 0.331 336 I C 0.489 176.631 176.117 0.041 0.000 1.322 336 I CA -0.304 61.036 61.300 0.065 0.000 1.149 336 I CB 1.132 39.174 38.000 0.071 0.000 1.112 336 I HN 0.478 nan 8.210 nan 0.000 0.403 337 G N 0.560 109.391 108.800 0.051 0.000 2.682 337 G HA2 0.686 4.647 3.960 0.001 0.000 0.290 337 G HA3 0.686 4.647 3.960 0.001 0.000 0.290 337 G C -1.140 173.769 174.900 0.016 0.000 1.425 337 G CA 0.088 45.210 45.100 0.037 0.000 0.807 337 G HN 0.328 nan 8.290 nan 0.000 0.482 338 S N -1.349 114.354 115.700 0.006 0.000 2.903 338 S HA 0.481 4.952 4.470 0.001 0.000 0.314 338 S C 0.277 174.866 174.600 -0.018 0.000 1.177 338 S CA -0.085 58.072 58.200 -0.072 0.000 0.859 338 S CB 1.159 64.331 63.200 -0.048 0.000 1.265 338 S HN 0.330 nan 8.310 nan 0.000 0.584 339 D N 1.448 121.824 120.400 -0.039 0.000 2.157 339 D HA -0.046 4.595 4.640 0.001 0.000 0.191 339 D C 1.643 178.056 176.300 0.188 0.000 1.004 339 D CA 2.152 56.179 54.000 0.045 0.000 0.854 339 D CB -0.903 39.931 40.800 0.055 0.000 0.936 339 D HN 0.770 nan 8.370 nan 0.000 0.446 340 G N -1.250 107.707 108.800 0.261 0.000 3.233 340 G HA2 0.474 4.435 3.960 0.001 0.000 0.234 340 G HA3 0.474 4.435 3.960 0.001 0.000 0.234 340 G C 0.649 175.746 174.900 0.328 0.000 1.137 340 G CA 0.436 45.751 45.100 0.359 0.000 0.763 340 G HN 0.651 nan 8.290 nan 0.000 0.549 341 G N -0.353 108.588 108.800 0.236 0.000 2.316 341 G HA2 -0.024 3.937 3.960 0.001 0.000 0.349 341 G HA3 -0.024 3.937 3.960 0.001 0.000 0.349 341 G C -0.502 174.498 174.900 0.167 0.000 1.274 341 G CA -1.009 44.199 45.100 0.180 0.000 1.018 341 G HN 0.449 nan 8.290 nan 0.000 0.486 342 L N 0.968 122.270 121.223 0.133 0.000 2.615 342 L HA 0.127 4.467 4.340 0.001 0.000 0.284 342 L C 1.224 178.120 176.870 0.043 0.000 1.237 342 L CA -0.001 54.889 54.840 0.083 0.000 0.905 342 L CB -0.099 42.003 42.059 0.072 0.000 1.149 342 L HN 0.406 nan 8.230 nan 0.000 0.499 343 L N 6.087 127.282 121.223 -0.047 0.000 2.473 343 L HA 0.095 4.436 4.340 0.001 0.000 0.268 343 L C -0.972 175.733 176.870 -0.276 0.000 1.215 343 L CA -1.345 53.372 54.840 -0.204 0.000 0.823 343 L CB 0.163 42.137 42.059 -0.143 0.000 1.099 343 L HN 0.500 nan 8.230 nan 0.000 0.483 344 P HA -0.070 nan 4.420 nan 0.000 0.219 344 P C -0.066 177.136 177.300 -0.164 0.000 1.150 344 P CA 1.376 64.248 63.100 -0.379 0.000 0.814 344 P CB 0.362 31.699 31.700 -0.605 0.000 0.787 345 R N -0.834 119.573 120.500 -0.156 0.000 2.725 345 R HA 0.487 4.827 4.340 0.001 0.000 0.277 345 R C -2.854 173.415 176.300 -0.053 0.000 0.987 345 R CA -2.517 53.536 56.100 -0.079 0.000 0.901 345 R CB 1.183 31.445 30.300 -0.062 0.000 1.207 345 R HN -0.110 nan 8.270 nan 0.000 0.463 346 P HA 0.059 nan 4.420 nan 0.000 0.269 346 P C -0.699 176.624 177.300 0.038 0.000 1.209 346 P CA -0.289 62.830 63.100 0.033 0.000 0.776 346 P CB 0.610 32.347 31.700 0.062 0.000 0.876 347 V N 5.343 125.285 119.914 0.047 0.000 2.357 347 V HA 0.309 4.430 4.120 0.001 0.000 0.284 347 V C -2.036 174.060 176.094 0.002 0.000 1.018 347 V CA -2.039 60.271 62.300 0.017 0.000 0.841 347 V CB 1.365 33.189 31.823 0.002 0.000 0.991 347 V HN 0.556 nan 8.190 nan 0.000 0.437 348 P HA 0.141 nan 4.420 nan 0.000 0.271 348 P C -0.621 176.537 177.300 -0.236 0.000 1.220 348 P CA 0.050 63.059 63.100 -0.151 0.000 0.768 348 P CB 1.169 32.804 31.700 -0.108 0.000 0.848 349 V N 3.927 123.614 119.914 -0.377 0.000 2.257 349 V HA 0.138 4.259 4.120 0.001 0.000 0.269 349 V C 0.560 176.133 176.094 -0.869 0.000 1.040 349 V CA -0.002 61.952 62.300 -0.578 0.000 0.813 349 V CB 0.681 32.163 31.823 -0.569 0.000 1.065 349 V HN 0.445 nan 8.190 nan 0.000 0.457 350 D N 3.406 123.436 120.400 -0.616 0.000 2.349 350 D HA 0.160 4.801 4.640 0.001 0.000 0.214 350 D C 0.880 177.017 176.300 -0.271 0.000 1.063 350 D CA -0.040 53.712 54.000 -0.412 0.000 0.847 350 D CB 0.150 40.834 40.800 -0.193 0.000 0.933 350 D HN 0.548 nan 8.370 nan 0.000 0.513 351 F N 1.244 121.162 119.950 -0.054 0.000 3.079 351 F HA -0.297 4.231 4.527 0.001 0.000 0.274 351 F C 0.786 176.566 175.800 -0.033 0.000 0.940 351 F CA 0.170 58.145 58.000 -0.042 0.000 0.932 351 F CB -1.919 37.056 39.000 -0.042 0.000 0.891 351 F HN 0.081 nan 8.300 nan 0.000 0.722 352 D N -0.712 119.701 120.400 0.022 0.000 2.481 352 D HA 0.225 4.866 4.640 0.001 0.000 0.283 352 D C 0.786 177.092 176.300 0.010 0.000 1.192 352 D CA -0.047 53.962 54.000 0.016 0.000 1.100 352 D CB 0.238 41.028 40.800 -0.017 0.000 1.166 352 D HN -0.010 nan 8.370 nan 0.000 0.584 353 D N -1.795 118.604 120.400 -0.001 0.000 2.368 353 D HA 0.121 4.761 4.640 0.001 0.000 0.218 353 D C 0.642 176.937 176.300 -0.008 0.000 1.112 353 D CA 0.227 54.227 54.000 0.001 0.000 0.834 353 D CB 0.382 41.184 40.800 0.004 0.000 0.953 353 D HN 0.317 nan 8.370 nan 0.000 0.505 354 T N 0.031 114.573 114.554 -0.021 0.000 3.037 354 T HA 0.128 4.479 4.350 0.001 0.000 0.251 354 T C 0.568 175.248 174.700 -0.034 0.000 1.079 354 T CA 0.110 62.195 62.100 -0.026 0.000 1.067 354 T CB 0.829 69.676 68.868 -0.035 0.000 0.948 354 T HN -0.050 nan 8.240 nan 0.000 0.496 355 L N 1.922 123.116 121.223 -0.049 0.000 2.513 355 L HA 0.330 4.670 4.340 0.001 0.000 0.256 355 L C -2.412 174.429 176.870 -0.048 0.000 1.163 355 L CA -1.312 53.493 54.840 -0.059 0.000 0.895 355 L CB 1.630 43.622 42.059 -0.111 0.000 1.076 355 L HN -0.251 nan 8.230 nan 0.000 0.491 356 P HA 0.001 nan 4.420 nan 0.000 0.222 356 P C 0.236 177.659 177.300 0.206 0.000 1.153 356 P CA 1.079 64.236 63.100 0.095 0.000 0.798 356 P CB 0.267 32.004 31.700 0.061 0.000 0.796 357 V N -3.629 116.376 119.914 0.151 0.000 2.962 357 V HA 0.551 4.672 4.120 0.001 0.000 0.313 357 V C -0.704 175.462 176.094 0.120 0.000 1.099 357 V CA -1.756 60.661 62.300 0.195 0.000 0.971 357 V CB 2.038 33.915 31.823 0.091 0.000 1.028 357 V HN -0.207 nan 8.190 nan 0.000 0.430 358 L N 3.265 124.573 121.223 0.142 0.000 2.295 358 L HA 0.560 4.900 4.340 0.001 0.000 0.288 358 L C 0.546 177.355 176.870 -0.102 0.000 1.079 358 L CA 0.661 55.479 54.840 -0.037 0.000 0.830 358 L CB 0.774 42.780 42.059 -0.089 0.000 1.200 358 L HN 0.996 nan 8.230 nan 0.000 0.438 359 S N 4.554 120.213 115.700 -0.068 0.000 2.430 359 S HA 0.750 5.221 4.470 0.001 0.000 0.289 359 S C -0.109 174.476 174.600 -0.025 0.000 1.143 359 S CA -0.311 57.877 58.200 -0.020 0.000 1.067 359 S CB 0.289 63.515 63.200 0.044 0.000 0.964 359 S HN 0.840 nan 8.310 nan 0.000 0.485 360 A N 4.614 127.418 122.820 -0.026 0.000 2.360 360 A HA 0.764 5.085 4.320 0.001 0.000 0.309 360 A C 0.249 177.942 177.584 0.181 0.000 1.311 360 A CA -0.578 51.514 52.037 0.091 0.000 0.805 360 A CB 0.417 19.335 19.000 -0.136 0.000 1.144 360 A HN 1.116 nan 8.150 nan 0.000 0.486 361 A N 3.800 126.735 122.820 0.192 0.000 2.304 361 A HA 0.745 5.066 4.320 0.001 0.000 0.271 361 A C -2.487 175.122 177.584 0.043 0.000 1.091 361 A CA -1.652 50.450 52.037 0.109 0.000 0.812 361 A CB -0.348 18.708 19.000 0.094 0.000 1.056 361 A HN 0.547 nan 8.150 nan 0.000 0.489 362 P HA 0.107 nan 4.420 nan 0.000 0.263 362 P C 0.706 177.827 177.300 -0.298 0.000 1.168 362 P CA 2.299 65.349 63.100 -0.084 0.000 0.759 362 P CB 0.545 32.286 31.700 0.068 0.000 0.782 363 A N 2.278 124.785 122.820 -0.521 0.000 3.907 363 A HA -0.263 4.058 4.320 0.001 0.000 0.257 363 A C 0.594 177.837 177.584 -0.568 0.000 0.945 363 A CA 0.920 52.558 52.037 -0.665 0.000 1.394 363 A CB -2.401 16.050 19.000 -0.914 0.000 1.011 363 A HN 0.584 nan 8.150 nan 0.000 0.829 364 E N -0.003 119.976 120.200 -0.369 0.000 2.398 364 E HA 0.413 4.764 4.350 0.001 0.000 0.263 364 E C 0.189 176.511 176.600 -0.464 0.000 1.046 364 E CA -0.029 56.155 56.400 -0.360 0.000 0.908 364 E CB 0.313 29.893 29.700 -0.200 0.000 0.963 364 E HN 0.537 nan 8.360 nan 0.000 0.431 365 R N 1.735 121.867 120.500 -0.613 0.000 2.599 365 R HA 0.461 4.802 4.340 0.001 0.000 0.295 365 R C -1.099 174.752 176.300 -0.748 0.000 0.963 365 R CA -0.538 55.272 56.100 -0.484 0.000 0.883 365 R CB 1.168 31.328 30.300 -0.235 0.000 1.171 365 R HN 0.344 nan 8.270 nan 0.000 0.450 366 F N 0.631 120.562 119.950 -0.032 0.000 2.499 366 F HA 0.227 4.755 4.527 0.001 0.000 0.333 366 F C -0.129 175.680 175.800 0.016 0.000 1.138 366 F CA -1.005 56.996 58.000 0.002 0.000 0.945 366 F CB 1.765 40.768 39.000 0.006 0.000 1.181 366 F HN 0.325 nan 8.300 nan 0.000 0.435 367 D N 4.926 125.406 120.400 0.134 0.000 2.411 367 D HA 0.369 5.010 4.640 0.001 0.000 0.225 367 D C -0.893 175.486 176.300 0.132 0.000 1.156 367 D CA 0.078 54.143 54.000 0.108 0.000 0.874 367 D CB 0.509 41.348 40.800 0.064 0.000 1.034 367 D HN 0.441 nan 8.370 nan 0.000 0.502 368 L N 4.170 125.476 121.223 0.138 0.000 2.313 368 L HA 0.429 4.770 4.340 0.001 0.000 0.283 368 L C -0.020 176.927 176.870 0.128 0.000 1.013 368 L CA -0.959 53.962 54.840 0.136 0.000 0.816 368 L CB 1.659 43.793 42.059 0.126 0.000 1.236 368 L HN 0.150 nan 8.230 nan 0.000 0.419 369 L N 4.451 125.778 121.223 0.172 0.000 2.292 369 L HA 0.536 4.877 4.340 0.001 0.000 0.284 369 L C -0.097 176.903 176.870 0.215 0.000 1.065 369 L CA -0.840 54.138 54.840 0.230 0.000 0.806 369 L CB 1.560 43.816 42.059 0.327 0.000 1.175 369 L HN 0.398 nan 8.230 nan 0.000 0.431 370 V N -1.052 118.868 119.914 0.009 0.000 2.555 370 V HA 0.520 4.641 4.120 0.001 0.000 0.302 370 V C -0.874 174.836 176.094 -0.640 0.000 1.038 370 V CA -0.672 61.403 62.300 -0.374 0.000 0.887 370 V CB 1.957 33.334 31.823 -0.744 0.000 0.991 370 V HN 0.706 nan 8.190 nan 0.000 0.434 371 D N 3.548 123.418 120.400 -0.882 0.000 2.473 371 D HA 0.404 5.045 4.640 0.001 0.000 0.226 371 D C -0.215 175.610 176.300 -0.792 0.000 1.089 371 D CA -0.651 52.598 54.000 -1.252 0.000 0.883 371 D CB 0.758 40.475 40.800 -1.805 0.000 1.029 371 D HN 0.458 nan 8.370 nan 0.000 0.517 372 F N 2.147 121.881 119.950 -0.361 0.000 2.663 372 F HA 0.306 4.833 4.527 0.001 0.000 0.299 372 F C 2.082 177.774 175.800 -0.179 0.000 1.143 372 F CA -0.278 57.581 58.000 -0.234 0.000 1.387 372 F CB -0.016 38.874 39.000 -0.184 0.000 1.019 372 F HN 0.259 nan 8.300 nan 0.000 0.523 373 R N 0.406 120.834 120.500 -0.119 0.000 2.096 373 R HA -0.058 4.283 4.340 0.001 0.000 0.235 373 R C 1.999 178.292 176.300 -0.012 0.000 1.127 373 R CA 1.260 57.330 56.100 -0.051 0.000 0.968 373 R CB -0.297 29.952 30.300 -0.084 0.000 0.861 373 R HN 0.251 nan 8.270 nan 0.000 0.440 374 A N 0.191 122.993 122.820 -0.029 0.000 2.370 374 A HA 0.156 4.477 4.320 0.001 0.000 0.238 374 A C 1.056 178.642 177.584 0.003 0.000 1.289 374 A CA 0.200 52.231 52.037 -0.010 0.000 0.885 374 A CB 0.103 19.092 19.000 -0.017 0.000 0.961 374 A HN 0.172 nan 8.150 nan 0.000 0.499 375 L N -0.439 120.796 121.223 0.020 0.000 3.122 375 L HA 0.261 4.601 4.340 0.001 0.000 0.274 375 L C 1.204 178.067 176.870 -0.011 0.000 1.222 375 L CA -0.473 54.379 54.840 0.019 0.000 1.028 375 L CB 0.564 42.662 42.059 0.065 0.000 1.386 375 L HN 0.366 nan 8.230 nan 0.000 0.578 376 G N -0.416 108.380 108.800 -0.006 0.000 2.321 376 G HA2 0.300 4.261 3.960 0.001 0.000 0.237 376 G HA3 0.300 4.261 3.960 0.001 0.000 0.237 376 G C 1.162 176.043 174.900 -0.031 0.000 1.282 376 G CA 0.575 45.662 45.100 -0.020 0.000 0.886 376 G HN 0.465 nan 8.290 nan 0.000 0.528 377 G N 1.179 109.951 108.800 -0.046 0.000 2.168 377 G HA2 -0.269 3.692 3.960 0.001 0.000 0.263 377 G HA3 -0.269 3.692 3.960 0.001 0.000 0.263 377 G C 0.693 175.560 174.900 -0.055 0.000 0.977 377 G CA 0.587 45.659 45.100 -0.047 0.000 0.659 377 G HN 0.788 nan 8.290 nan 0.000 0.533 378 R N -0.396 120.064 120.500 -0.065 0.000 2.643 378 R HA 0.714 5.055 4.340 0.001 0.000 0.272 378 R C 0.259 176.504 176.300 -0.092 0.000 0.995 378 R CA -0.744 55.317 56.100 -0.064 0.000 1.032 378 R CB 0.906 31.179 30.300 -0.045 0.000 1.126 378 R HN 0.301 nan 8.270 nan 0.000 0.505 379 R N 1.150 121.601 120.500 -0.082 0.000 2.437 379 R HA 0.542 4.882 4.340 0.001 0.000 0.310 379 R C -0.570 175.686 176.300 -0.074 0.000 0.955 379 R CA -0.419 55.621 56.100 -0.101 0.000 0.851 379 R CB 1.381 31.614 30.300 -0.113 0.000 1.161 379 R HN 0.356 nan 8.270 nan 0.000 0.446 380 L N 2.330 123.521 121.223 -0.052 0.000 2.323 380 L HA 0.672 5.012 4.340 0.001 0.000 0.265 380 L C -0.196 176.674 176.870 0.000 0.000 1.012 380 L CA -1.101 53.740 54.840 0.003 0.000 0.820 380 L CB 2.208 44.310 42.059 0.073 0.000 1.334 380 L HN 0.406 nan 8.230 nan 0.000 0.427 381 R N 1.192 121.683 120.500 -0.015 0.000 2.561 381 R HA 0.546 4.886 4.340 0.001 0.000 0.297 381 R C -1.457 174.848 176.300 0.009 0.000 0.969 381 R CA -0.949 55.118 56.100 -0.055 0.000 0.879 381 R CB 2.254 32.513 30.300 -0.068 0.000 1.178 381 R HN 0.255 nan 8.270 nan 0.000 0.445 382 L N 4.154 125.407 121.223 0.049 0.000 2.319 382 L HA 0.361 4.701 4.340 0.001 0.000 0.280 382 L C -0.452 176.433 176.870 0.025 0.000 1.099 382 L CA -0.113 54.752 54.840 0.041 0.000 0.828 382 L CB 1.487 43.608 42.059 0.103 0.000 1.150 382 L HN 0.487 nan 8.230 nan 0.000 0.442 383 V N 0.630 120.538 119.914 -0.010 0.000 2.962 383 V HA 0.614 4.734 4.120 0.001 0.000 0.313 383 V C -0.617 175.507 176.094 0.050 0.000 1.099 383 V CA -1.057 61.256 62.300 0.021 0.000 0.971 383 V CB 1.995 33.809 31.823 -0.016 0.000 1.028 383 V HN 0.627 nan 8.190 nan 0.000 0.430 384 D N 2.480 122.951 120.400 0.117 0.000 2.312 384 D HA 0.239 4.880 4.640 0.001 0.000 0.252 384 D C -0.169 176.145 176.300 0.022 0.000 1.150 384 D CA 0.128 54.202 54.000 0.123 0.000 0.870 384 D CB 1.327 42.226 40.800 0.166 0.000 1.153 384 D HN 0.845 nan 8.370 nan 0.000 0.457 385 K N 2.584 122.983 120.400 -0.001 0.000 2.258 385 K HA 0.523 4.843 4.320 0.001 0.000 0.284 385 K C 0.214 176.787 176.600 -0.046 0.000 1.051 385 K CA -0.752 55.519 56.287 -0.028 0.000 0.923 385 K CB 0.850 33.335 32.500 -0.025 0.000 1.046 385 K HN 0.433 nan 8.250 nan 0.000 0.474 386 G N 4.064 112.828 108.800 -0.060 0.000 2.467 386 G HA2 0.171 4.131 3.960 0.001 0.000 0.257 386 G HA3 0.171 4.131 3.960 0.001 0.000 0.257 386 G C -1.621 173.238 174.900 -0.067 0.000 1.227 386 G CA -1.424 43.629 45.100 -0.079 0.000 0.835 386 G HN 0.578 nan 8.290 nan 0.000 0.556 387 P HA -0.035 nan 4.420 nan 0.000 0.220 387 P C 1.419 178.687 177.300 -0.054 0.000 1.148 387 P CA 1.369 64.433 63.100 -0.060 0.000 0.803 387 P CB 0.343 32.002 31.700 -0.069 0.000 0.782 388 G N -1.573 107.190 108.800 -0.062 0.000 3.233 388 G HA2 0.487 4.448 3.960 0.001 0.000 0.234 388 G HA3 0.487 4.448 3.960 0.001 0.000 0.234 388 G C 0.215 175.084 174.900 -0.051 0.000 1.137 388 G CA 0.450 45.517 45.100 -0.056 0.000 0.763 388 G HN 0.512 nan 8.290 nan 0.000 0.549 389 A N -0.228 122.561 122.820 -0.051 0.000 2.606 389 A HA 0.802 5.123 4.320 0.001 0.000 0.293 389 A C -3.090 174.470 177.584 -0.041 0.000 1.082 389 A CA -1.220 50.790 52.037 -0.046 0.000 0.685 389 A CB 1.107 20.075 19.000 -0.053 0.000 1.284 389 A HN -0.023 nan 8.150 nan 0.000 0.408 390 P HA 0.334 nan 4.420 nan 0.000 0.268 390 P C 0.110 177.386 177.300 -0.040 0.000 1.208 390 P CA 0.393 63.474 63.100 -0.033 0.000 0.777 390 P CB 0.445 32.128 31.700 -0.029 0.000 0.875 391 A N 2.402 125.197 122.820 -0.042 0.000 2.583 391 A HA 0.317 4.638 4.320 0.001 0.000 0.249 391 A C 1.575 179.127 177.584 -0.054 0.000 1.035 391 A CA 1.081 53.085 52.037 -0.055 0.000 0.777 391 A CB -1.701 17.253 19.000 -0.078 0.000 0.942 391 A HN 0.903 nan 8.150 nan 0.000 0.516 392 G N 2.075 110.845 108.800 -0.050 0.000 2.232 392 G HA2 -0.170 3.791 3.960 0.001 0.000 0.226 392 G HA3 -0.170 3.791 3.960 0.001 0.000 0.226 392 G C 0.385 175.259 174.900 -0.044 0.000 0.996 392 G CA 0.315 45.389 45.100 -0.043 0.000 0.626 392 G HN 1.273 nan 8.290 nan 0.000 0.509 393 T N 3.758 118.284 114.554 -0.046 0.000 2.767 393 T HA 0.570 4.921 4.350 0.001 0.000 0.284 393 T C -2.350 172.313 174.700 -0.061 0.000 0.973 393 T CA -0.890 61.181 62.100 -0.049 0.000 0.996 393 T CB 2.188 71.029 68.868 -0.045 0.000 0.927 393 T HN 0.046 nan 8.240 nan 0.000 0.456 394 P HA 0.125 nan 4.420 nan 0.000 0.265 394 P C -0.367 176.872 177.300 -0.102 0.000 1.187 394 P CA 0.221 63.263 63.100 -0.097 0.000 0.766 394 P CB 0.373 32.008 31.700 -0.109 0.000 0.820 395 D N 3.166 123.492 120.400 -0.122 0.000 2.968 395 D HA 0.150 4.790 4.640 0.001 0.000 0.301 395 D C -1.778 174.433 176.300 -0.148 0.000 1.226 395 D CA -1.734 52.195 54.000 -0.118 0.000 0.746 395 D CB 0.241 40.981 40.800 -0.101 0.000 1.278 395 D HN 0.051 nan 8.370 nan 0.000 0.544 396 P HA -0.137 nan 4.420 nan 0.000 0.220 396 P C 1.482 178.682 177.300 -0.167 0.000 1.144 396 P CA 0.545 63.524 63.100 -0.202 0.000 0.800 396 P CB 0.657 32.235 31.700 -0.203 0.000 0.772 397 L N -1.121 120.019 121.223 -0.139 0.000 2.416 397 L HA 0.290 4.630 4.340 0.001 0.000 0.216 397 L C 2.137 178.929 176.870 -0.129 0.000 1.098 397 L CA 0.926 55.693 54.840 -0.122 0.000 0.840 397 L CB -0.641 41.359 42.059 -0.098 0.000 0.981 397 L HN -0.094 nan 8.230 nan 0.000 0.462 398 G N -1.446 107.274 108.800 -0.135 0.000 3.181 398 G HA2 0.283 4.244 3.960 0.001 0.000 0.219 398 G HA3 0.283 4.244 3.960 0.001 0.000 0.219 398 G C 1.058 175.843 174.900 -0.191 0.000 1.182 398 G CA 0.351 45.362 45.100 -0.147 0.000 0.791 398 G HN 0.556 nan 8.290 nan 0.000 0.537 399 G N -1.342 107.333 108.800 -0.207 0.000 2.141 399 G HA2 -0.191 3.770 3.960 0.001 0.000 0.242 399 G HA3 -0.191 3.770 3.960 0.001 0.000 0.242 399 G C 0.091 174.858 174.900 -0.222 0.000 0.982 399 G CA 0.116 45.064 45.100 -0.254 0.000 0.662 399 G HN 0.956 nan 8.290 nan 0.000 0.527 400 V N 0.700 120.502 119.914 -0.188 0.000 2.462 400 V HA 0.333 4.454 4.120 0.001 0.000 0.257 400 V C 1.387 177.372 176.094 -0.181 0.000 0.944 400 V CA 0.281 62.490 62.300 -0.153 0.000 0.903 400 V CB 0.736 32.489 31.823 -0.117 0.000 1.128 400 V HN 0.432 nan 8.190 nan 0.000 0.486 401 R N 2.085 122.424 120.500 -0.269 0.000 2.105 401 R HA -0.070 4.270 4.340 0.001 0.000 0.239 401 R C -0.203 175.776 176.300 -0.535 0.000 1.135 401 R CA 1.708 57.522 56.100 -0.475 0.000 0.967 401 R CB 0.117 30.016 30.300 -0.669 0.000 0.861 401 R HN 0.568 nan 8.270 nan 0.000 0.442 402 Y N -0.876 119.378 120.300 -0.076 0.000 2.526 402 Y HA 0.341 4.891 4.550 0.001 0.000 0.328 402 Y C -1.920 173.905 175.900 -0.126 0.000 0.995 402 Y CA -2.720 55.307 58.100 -0.122 0.000 1.304 402 Y CB 2.176 40.604 38.460 -0.053 0.000 1.096 402 Y HN 0.029 nan 8.280 nan 0.000 0.499 403 P HA -0.172 nan 4.420 nan 0.000 0.219 403 P C -0.039 177.254 177.300 -0.011 0.000 1.146 403 P CA 1.216 64.309 63.100 -0.012 0.000 0.808 403 P CB 0.199 31.875 31.700 -0.040 0.000 0.779 404 E N -0.131 119.957 120.200 -0.187 0.000 2.414 404 E HA 0.003 4.353 4.350 0.001 0.000 0.263 404 E C 0.538 177.133 176.600 -0.007 0.000 1.000 404 E CA 0.165 56.432 56.400 -0.221 0.000 0.914 404 E CB 1.009 30.287 29.700 -0.703 0.000 0.948 404 E HN -0.003 nan 8.360 nan 0.000 0.444 405 V N 2.603 122.622 119.914 0.175 0.000 2.840 405 V HA 0.167 4.288 4.120 0.001 0.000 0.234 405 V C 0.694 176.972 176.094 0.307 0.000 1.159 405 V CA 1.442 63.894 62.300 0.253 0.000 1.194 405 V CB -0.098 31.779 31.823 0.091 0.000 0.971 405 V HN 0.879 nan 8.190 nan 0.000 0.494 406 M N -1.215 118.499 119.600 0.190 0.000 2.790 406 M HA 0.600 5.080 4.480 0.001 0.000 0.272 406 M C -1.428 174.624 176.300 -0.413 0.000 1.168 406 M CA -0.524 54.793 55.300 0.027 0.000 0.829 406 M CB 2.592 35.085 32.600 -0.179 0.000 1.675 406 M HN -0.014 nan 8.290 nan 0.000 0.505 407 E N 1.082 120.829 120.200 -0.754 0.000 2.199 407 E HA 0.652 5.003 4.350 0.001 0.000 0.269 407 E C -2.063 174.147 176.600 -0.651 0.000 0.899 407 E CA -0.646 55.242 56.400 -0.854 0.000 0.772 407 E CB 1.749 30.663 29.700 -1.310 0.000 1.155 407 E HN 0.584 nan 8.360 nan 0.000 0.408 408 F N 2.733 122.507 119.950 -0.292 0.000 2.420 408 F HA 0.448 4.975 4.527 0.001 0.000 0.342 408 F C 0.362 175.961 175.800 -0.335 0.000 1.113 408 F CA -0.767 57.041 58.000 -0.320 0.000 1.059 408 F CB 1.326 40.060 39.000 -0.443 0.000 1.128 408 F HN 0.203 nan 8.300 nan 0.000 0.475 409 R N 2.739 123.163 120.500 -0.125 0.000 2.288 409 R HA 0.545 4.886 4.340 0.001 0.000 0.326 409 R C -1.421 174.762 176.300 -0.195 0.000 0.959 409 R CA -0.738 55.268 56.100 -0.156 0.000 0.834 409 R CB 1.510 31.723 30.300 -0.145 0.000 1.157 409 R HN 0.380 nan 8.270 nan 0.000 0.470 410 V N 3.922 123.697 119.914 -0.232 0.000 2.364 410 V HA 0.275 4.395 4.120 0.001 0.000 0.272 410 V C 0.582 176.599 176.094 -0.129 0.000 1.036 410 V CA -0.661 61.486 62.300 -0.255 0.000 0.880 410 V CB 1.019 32.654 31.823 -0.314 0.000 0.991 410 V HN 0.637 nan 8.190 nan 0.000 0.460 411 R N 3.797 124.244 120.500 -0.088 0.000 2.308 411 R HA 0.264 4.605 4.340 0.001 0.000 0.305 411 R C 0.095 176.385 176.300 -0.016 0.000 1.053 411 R CA -0.474 55.603 56.100 -0.040 0.000 0.957 411 R CB 0.800 31.090 30.300 -0.016 0.000 1.022 411 R HN 0.843 nan 8.270 nan 0.000 0.461 412 E N 2.944 123.137 120.200 -0.012 0.000 2.265 412 E HA 0.051 4.402 4.350 0.001 0.000 0.272 412 E C -0.815 175.794 176.600 0.014 0.000 1.067 412 E CA 0.116 56.518 56.400 0.003 0.000 0.900 412 E CB 0.788 30.487 29.700 -0.001 0.000 1.017 412 E HN 0.559 nan 8.360 nan 0.000 0.431 413 T N 2.718 117.288 114.554 0.028 0.000 2.922 413 T HA 0.220 4.571 4.350 0.001 0.000 0.281 413 T C 0.185 174.903 174.700 0.030 0.000 1.005 413 T CA -0.768 61.352 62.100 0.032 0.000 0.982 413 T CB 1.256 70.152 68.868 0.046 0.000 1.158 413 T HN 0.556 nan 8.240 nan 0.000 0.566 414 C N 1.361 120.679 119.300 0.030 0.000 2.563 414 C HA 0.326 4.787 4.460 0.001 0.000 0.307 414 C C 0.830 175.840 174.990 0.034 0.000 1.371 414 C CA -0.371 58.664 59.018 0.028 0.000 1.772 414 C CB -1.786 25.967 27.740 0.022 0.000 2.283 414 C HN 0.735 nan 8.230 nan 0.000 0.570 415 E N 0.917 121.142 120.200 0.042 0.000 2.250 415 E HA 0.345 4.696 4.350 0.001 0.000 0.269 415 E C -0.316 176.321 176.600 0.060 0.000 1.018 415 E CA -0.227 56.203 56.400 0.049 0.000 0.873 415 E CB 0.992 30.723 29.700 0.053 0.000 1.134 415 E HN 0.372 nan 8.360 nan 0.000 0.403 416 E N 1.692 121.931 120.200 0.065 0.000 2.235 416 E HA 0.108 4.459 4.350 0.001 0.000 0.252 416 E C -1.387 175.275 176.600 0.103 0.000 0.886 416 E CA -0.491 55.957 56.400 0.079 0.000 0.767 416 E CB 1.356 31.094 29.700 0.063 0.000 1.205 416 E HN 0.325 nan 8.360 nan 0.000 0.421 417 D N 1.826 122.315 120.400 0.149 0.000 2.339 417 D HA 0.046 4.687 4.640 0.001 0.000 0.241 417 D C 0.661 177.104 176.300 0.238 0.000 1.183 417 D CA -0.016 54.113 54.000 0.214 0.000 0.859 417 D CB 0.904 41.897 40.800 0.322 0.000 1.067 417 D HN 0.295 nan 8.370 nan 0.000 0.484 418 S N 3.571 119.370 115.700 0.164 0.000 2.634 418 S HA 0.047 4.518 4.470 0.001 0.000 0.221 418 S C 0.826 175.468 174.600 0.069 0.000 0.952 418 S CA -0.726 57.542 58.200 0.114 0.000 0.930 418 S CB -0.506 62.726 63.200 0.053 0.000 0.780 418 S HN 0.404 nan 8.310 nan 0.000 0.498 419 F N 3.467 123.373 119.950 -0.074 0.000 2.568 419 F HA 0.228 4.755 4.527 0.001 0.000 0.394 419 F C 0.480 176.066 175.800 -0.356 0.000 1.032 419 F CA -0.231 57.587 58.000 -0.303 0.000 1.242 419 F CB 0.015 38.635 39.000 -0.634 0.000 0.966 419 F HN 0.307 nan 8.300 nan 0.000 0.560 420 A N 7.611 129.724 122.820 -1.178 0.000 2.287 420 A HA 0.590 4.911 4.320 0.001 0.000 0.317 420 A C -1.519 175.312 177.584 -1.256 0.000 1.220 420 A CA -0.784 50.711 52.037 -0.904 0.000 0.835 420 A CB 0.982 19.681 19.000 -0.502 0.000 1.180 420 A HN 0.741 nan 8.150 nan 0.000 0.500 421 L N 5.499 126.212 121.223 -0.850 0.000 2.257 421 L HA 0.578 4.919 4.340 0.001 0.000 0.290 421 L C -1.987 174.687 176.870 -0.327 0.000 1.044 421 L CA -1.656 52.833 54.840 -0.585 0.000 0.810 421 L CB 0.719 42.518 42.059 -0.433 0.000 1.193 421 L HN 0.537 nan 8.230 nan 0.000 0.425 422 P HA 0.284 nan 4.420 nan 0.000 0.279 422 P C -0.037 177.201 177.300 -0.104 0.000 1.252 422 P CA -0.425 62.575 63.100 -0.166 0.000 0.811 422 P CB 0.933 32.545 31.700 -0.147 0.000 1.035 423 E N -0.160 119.996 120.200 -0.073 0.000 2.150 423 E HA 0.007 4.357 4.350 0.001 0.000 0.193 423 E C 0.286 176.863 176.600 -0.038 0.000 0.985 423 E CA 0.949 57.323 56.400 -0.044 0.000 0.814 423 E CB -0.054 29.627 29.700 -0.032 0.000 0.752 423 E HN 0.213 nan 8.360 nan 0.000 0.466 424 V N 2.289 122.179 119.914 -0.040 0.000 2.394 424 V HA 0.113 4.234 4.120 0.001 0.000 0.282 424 V C 1.258 177.329 176.094 -0.039 0.000 1.031 424 V CA -0.149 62.132 62.300 -0.032 0.000 0.881 424 V CB 1.921 33.734 31.823 -0.017 0.000 0.982 424 V HN 0.093 nan 8.190 nan 0.000 0.451 425 L N 2.529 123.731 121.223 -0.036 0.000 2.189 425 L HA 0.213 4.554 4.340 0.001 0.000 0.199 425 L C 1.278 178.143 176.870 -0.007 0.000 1.074 425 L CA 0.900 55.721 54.840 -0.032 0.000 0.783 425 L CB 0.491 42.532 42.059 -0.031 0.000 0.955 425 L HN 0.690 nan 8.230 nan 0.000 0.460 426 S N -0.761 114.949 115.700 0.016 0.000 2.433 426 S HA 0.392 4.863 4.470 0.001 0.000 0.310 426 S C 0.819 175.467 174.600 0.080 0.000 1.097 426 S CA -0.346 57.890 58.200 0.061 0.000 1.103 426 S CB 1.721 64.991 63.200 0.117 0.000 0.992 426 S HN 0.318 nan 8.310 nan 0.000 0.469 427 G N 2.489 111.323 108.800 0.057 0.000 2.572 427 G HA2 -0.080 3.881 3.960 0.001 0.000 0.216 427 G HA3 -0.080 3.881 3.960 0.001 0.000 0.216 427 G C 1.485 176.426 174.900 0.068 0.000 1.133 427 G CA 0.702 45.834 45.100 0.054 0.000 0.791 427 G HN 0.903 nan 8.290 nan 0.000 0.538 428 S N -0.319 115.431 115.700 0.084 0.000 2.489 428 S HA 0.174 4.645 4.470 0.001 0.000 0.228 428 S C 0.811 175.475 174.600 0.107 0.000 0.995 428 S CA -0.583 57.661 58.200 0.074 0.000 0.934 428 S CB -0.326 62.907 63.200 0.055 0.000 0.771 428 S HN 0.128 nan 8.310 nan 0.000 0.522 429 F N 4.195 124.168 119.950 0.038 0.000 2.543 429 F HA 0.425 4.953 4.527 0.001 0.000 0.375 429 F C 0.383 176.194 175.800 0.019 0.000 1.075 429 F CA -0.400 57.624 58.000 0.041 0.000 1.225 429 F CB 0.418 39.416 39.000 -0.003 0.000 1.099 429 F HN -0.014 nan 8.300 nan 0.000 0.561 430 R N 5.016 125.088 120.500 -0.713 0.000 2.439 430 R HA 0.283 4.624 4.340 0.001 0.000 0.310 430 R C -0.673 175.140 176.300 -0.811 0.000 0.955 430 R CA -1.263 54.535 56.100 -0.503 0.000 0.853 430 R CB 1.443 31.589 30.300 -0.256 0.000 1.171 430 R HN 0.601 nan 8.270 nan 0.000 0.449 431 R N 2.362 122.595 120.500 -0.445 0.000 2.537 431 R HA 0.129 4.470 4.340 0.001 0.000 0.280 431 R C 0.235 176.440 176.300 -0.159 0.000 1.058 431 R CA 0.179 56.147 56.100 -0.220 0.000 1.057 431 R CB 0.412 30.753 30.300 0.069 0.000 0.973 431 R HN 0.441 nan 8.270 nan 0.000 0.438 432 M N 2.929 122.469 119.600 -0.101 0.000 2.268 432 M HA 0.012 4.493 4.480 0.001 0.000 0.349 432 M C 0.024 176.310 176.300 -0.023 0.000 1.485 432 M CA 0.658 55.927 55.300 -0.051 0.000 1.094 432 M CB 0.752 33.347 32.600 -0.008 0.000 1.843 432 M HN 0.590 nan 8.290 nan 0.000 0.460 433 S N 2.517 118.191 115.700 -0.044 0.000 2.480 433 S HA 0.139 4.610 4.470 0.001 0.000 0.286 433 S C 1.159 175.754 174.600 -0.008 0.000 1.180 433 S CA -0.485 57.707 58.200 -0.014 0.000 1.075 433 S CB 0.433 63.615 63.200 -0.030 0.000 0.996 433 S HN 0.759 nan 8.310 nan 0.000 0.487 434 H N 3.171 122.212 119.070 -0.048 0.000 2.543 434 H HA -0.067 4.489 4.556 0.001 0.000 0.286 434 H C 0.361 175.736 175.328 0.077 0.000 1.037 434 H CA 1.243 57.273 56.048 -0.030 0.000 1.250 434 H CB 0.353 30.130 29.762 0.025 0.000 1.373 434 H HN 0.637 nan 8.280 nan 0.000 0.580 435 D N 0.672 121.074 120.400 0.003 0.000 2.269 435 D HA -0.026 4.615 4.640 0.001 0.000 0.208 435 D C 0.806 177.068 176.300 -0.064 0.000 0.963 435 D CA 0.202 54.186 54.000 -0.027 0.000 0.864 435 D CB 0.100 40.895 40.800 -0.008 0.000 0.936 435 D HN 0.364 nan 8.370 nan 0.000 0.505 436 I N 1.699 122.208 120.570 -0.101 0.000 2.618 436 I HA 0.061 4.232 4.170 0.001 0.000 0.284 436 I C -2.152 173.929 176.117 -0.061 0.000 1.146 436 I CA -1.898 59.305 61.300 -0.162 0.000 1.425 436 I CB 0.767 38.539 38.000 -0.380 0.000 1.383 436 I HN -0.201 nan 8.210 nan 0.000 0.562 437 P HA 0.048 nan 4.420 nan 0.000 0.264 437 P C -1.371 175.919 177.300 -0.017 0.000 1.183 437 P CA 0.573 63.621 63.100 -0.086 0.000 0.763 437 P CB 0.268 31.927 31.700 -0.069 0.000 0.807 438 H N -0.054 118.938 119.070 -0.131 0.000 3.017 438 H HA 0.638 5.195 4.556 0.001 0.000 0.346 438 H C -0.520 174.703 175.328 -0.176 0.000 1.286 438 H CA -1.140 54.834 56.048 -0.123 0.000 1.120 438 H CB 0.749 30.412 29.762 -0.166 0.000 1.860 438 H HN 0.504 nan 8.280 nan 0.000 0.542 439 G N -0.390 108.386 108.800 -0.040 0.000 2.531 439 G HA2 0.484 4.445 3.960 0.001 0.000 0.313 439 G HA3 0.484 4.445 3.960 0.001 0.000 0.313 439 G C -1.360 173.433 174.900 -0.179 0.000 1.238 439 G CA -0.577 44.469 45.100 -0.089 0.000 0.994 439 G HN 0.686 nan 8.290 nan 0.000 0.493 440 H N -0.520 118.564 119.070 0.023 0.000 2.782 440 H HA 0.499 5.056 4.556 0.001 0.000 0.347 440 H C -0.354 174.825 175.328 -0.248 0.000 1.038 440 H CA -0.795 55.250 56.048 -0.005 0.000 1.255 440 H CB 1.766 31.548 29.762 0.033 0.000 1.623 440 H HN 0.204 nan 8.280 nan 0.000 0.525 441 R N 2.142 122.441 120.500 -0.334 0.000 2.637 441 R HA 0.447 4.788 4.340 0.001 0.000 0.291 441 R C -1.217 174.813 176.300 -0.451 0.000 0.963 441 R CA -1.256 54.421 56.100 -0.705 0.000 0.901 441 R CB 2.457 31.736 30.300 -1.701 0.000 1.160 441 R HN 0.403 nan 8.270 nan 0.000 0.457 442 L N 3.450 124.462 121.223 -0.352 0.000 2.325 442 L HA 0.477 4.818 4.340 0.001 0.000 0.281 442 L C -1.106 175.653 176.870 -0.184 0.000 1.004 442 L CA -0.512 54.148 54.840 -0.300 0.000 0.823 442 L CB 1.153 42.977 42.059 -0.390 0.000 1.236 442 L HN 0.404 nan 8.230 nan 0.000 0.415 443 I N 6.720 127.189 120.570 -0.167 0.000 2.382 443 I HA 0.357 4.528 4.170 0.001 0.000 0.285 443 I C -0.085 176.073 176.117 0.067 0.000 1.007 443 I CA -0.719 60.604 61.300 0.038 0.000 1.142 443 I CB 1.277 39.364 38.000 0.144 0.000 1.289 443 I HN 0.204 nan 8.210 nan 0.000 0.453 444 V N 7.294 127.246 119.914 0.064 0.000 2.567 444 V HA 0.439 4.560 4.120 0.001 0.000 0.289 444 V C 0.243 176.300 176.094 -0.062 0.000 1.049 444 V CA -0.509 61.768 62.300 -0.039 0.000 0.969 444 V CB 2.009 33.796 31.823 -0.060 0.000 0.995 444 V HN 0.452 nan 8.190 nan 0.000 0.471 445 L N 5.013 126.149 121.223 -0.144 0.000 2.333 445 L HA 0.648 4.989 4.340 0.001 0.000 0.280 445 L C 0.165 176.833 176.870 -0.337 0.000 1.004 445 L CA -0.445 54.273 54.840 -0.203 0.000 0.820 445 L CB 1.980 43.980 42.059 -0.097 0.000 1.247 445 L HN 0.727 nan 8.230 nan 0.000 0.416 446 T N 0.049 114.336 114.554 -0.445 0.000 2.918 446 T HA 0.642 4.993 4.350 0.001 0.000 0.286 446 T C -2.739 171.809 174.700 -0.253 0.000 1.026 446 T CA -2.465 59.297 62.100 -0.563 0.000 1.031 446 T CB 1.891 70.226 68.868 -0.888 0.000 1.046 446 T HN 0.174 nan 8.240 nan 0.000 0.479 447 P HA 0.244 nan 4.420 nan 0.000 0.271 447 P C -1.956 175.346 177.300 0.004 0.000 1.218 447 P CA -1.456 61.630 63.100 -0.023 0.000 0.780 447 P CB 0.021 31.742 31.700 0.036 0.000 0.901 448 P HA -0.130 nan 4.420 nan 0.000 0.215 448 P C 1.298 178.621 177.300 0.037 0.000 1.153 448 P CA 1.791 64.913 63.100 0.036 0.000 0.853 448 P CB -0.351 31.379 31.700 0.051 0.000 0.788 449 G N -1.117 107.710 108.800 0.044 0.000 3.155 449 G HA2 -0.029 3.932 3.960 0.001 0.000 0.213 449 G HA3 -0.029 3.932 3.960 0.001 0.000 0.213 449 G C 0.170 175.110 174.900 0.066 0.000 1.196 449 G CA 0.053 45.178 45.100 0.042 0.000 0.846 449 G HN 0.190 nan 8.290 nan 0.000 0.516 450 T N 0.638 115.251 114.554 0.099 0.000 2.926 450 T HA 0.199 4.550 4.350 0.001 0.000 0.307 450 T C 0.622 175.417 174.700 0.159 0.000 1.059 450 T CA -0.227 61.968 62.100 0.158 0.000 1.122 450 T CB 1.236 70.233 68.868 0.215 0.000 0.972 450 T HN 0.262 nan 8.240 nan 0.000 0.545 451 K N 1.725 122.218 120.400 0.156 0.000 2.504 451 K HA 0.210 4.531 4.320 0.001 0.000 0.278 451 K C 1.287 177.993 176.600 0.177 0.000 1.025 451 K CA 1.189 57.557 56.287 0.135 0.000 1.093 451 K CB -0.752 31.812 32.500 0.108 0.000 0.873 451 K HN 0.879 nan 8.250 nan 0.000 0.483 452 G N 2.443 111.311 108.800 0.114 0.000 2.143 452 G HA2 -0.299 3.662 3.960 0.001 0.000 0.249 452 G HA3 -0.299 3.662 3.960 0.001 0.000 0.249 452 G C 0.497 175.472 174.900 0.126 0.000 0.981 452 G CA 0.743 45.904 45.100 0.103 0.000 0.665 452 G HN 1.022 nan 8.290 nan 0.000 0.528 453 S N -0.775 115.005 115.700 0.134 0.000 2.559 453 S HA 0.459 4.930 4.470 0.001 0.000 0.226 453 S C 2.002 176.635 174.600 0.055 0.000 1.000 453 S CA 1.223 59.512 58.200 0.148 0.000 0.948 453 S CB 0.536 63.852 63.200 0.194 0.000 0.870 453 S HN 2.248 nan 8.310 nan 0.000 0.497 454 G N 0.941 109.737 108.800 -0.006 0.000 2.187 454 G HA2 0.014 3.974 3.960 0.001 0.000 0.261 454 G HA3 0.014 3.974 3.960 0.001 0.000 0.261 454 G C 1.191 175.894 174.900 -0.328 0.000 1.000 454 G CA 0.498 45.529 45.100 -0.115 0.000 0.718 454 G HN 1.924 nan 8.290 nan 0.000 0.519 455 G N -2.002 106.669 108.800 -0.215 0.000 2.175 455 G HA2 -0.215 3.746 3.960 0.001 0.000 0.244 455 G HA3 -0.215 3.746 3.960 0.001 0.000 0.244 455 G C 0.167 174.959 174.900 -0.180 0.000 0.982 455 G CA 0.742 45.719 45.100 -0.206 0.000 0.641 455 G HN 1.286 nan 8.290 nan 0.000 0.527 456 H N 1.251 120.345 119.070 0.041 0.000 2.483 456 H HA 0.498 5.055 4.556 0.001 0.000 0.338 456 H C -2.155 173.155 175.328 -0.030 0.000 1.152 456 H CA -1.739 54.310 56.048 0.002 0.000 1.264 456 H CB 1.482 31.253 29.762 0.015 0.000 1.510 456 H HN 0.192 nan 8.280 nan 0.000 0.530 457 P HA 0.154 nan 4.420 nan 0.000 0.274 457 P C -0.491 176.764 177.300 -0.076 0.000 1.231 457 P CA -0.171 62.886 63.100 -0.071 0.000 0.790 457 P CB 1.638 33.258 31.700 -0.133 0.000 0.951 458 E N 0.606 120.742 120.200 -0.106 0.000 2.416 458 E HA 0.497 4.848 4.350 0.001 0.000 0.273 458 E C -0.566 176.007 176.600 -0.044 0.000 0.935 458 E CA -0.998 55.401 56.400 -0.002 0.000 0.784 458 E CB 1.859 31.693 29.700 0.224 0.000 1.301 458 E HN 0.360 nan 8.360 nan 0.000 0.454 459 I N 1.689 122.319 120.570 0.098 0.000 2.342 459 I HA 0.201 4.372 4.170 0.001 0.000 0.291 459 I C -0.929 175.435 176.117 0.411 0.000 1.010 459 I CA -0.288 61.119 61.300 0.180 0.000 1.308 459 I CB 0.486 38.584 38.000 0.163 0.000 1.400 459 I HN 0.251 nan 8.210 nan 0.000 0.488 460 W N 5.472 126.796 121.300 0.040 0.000 2.411 460 W HA 0.411 5.071 4.660 0.001 0.000 0.317 460 W C -0.062 176.485 176.519 0.046 0.000 1.030 460 W CA -1.003 56.362 57.345 0.034 0.000 1.239 460 W CB 0.805 30.280 29.460 0.025 0.000 1.304 460 W HN 0.401 nan 8.180 nan 0.000 0.437 461 E N 3.418 123.740 120.200 0.203 0.000 2.313 461 E HA 0.386 4.737 4.350 0.001 0.000 0.276 461 E C 0.024 176.708 176.600 0.140 0.000 1.031 461 E CA -0.340 56.156 56.400 0.159 0.000 0.857 461 E CB 0.958 30.681 29.700 0.038 0.000 1.040 461 E HN 0.063 nan 8.360 nan 0.000 0.408 462 M N 1.556 121.236 119.600 0.133 0.000 2.465 462 M HA 0.565 5.046 4.480 0.001 0.000 0.316 462 M C -0.660 175.714 176.300 0.123 0.000 1.121 462 M CA -0.938 54.431 55.300 0.114 0.000 0.934 462 M CB 1.647 34.272 32.600 0.042 0.000 1.692 462 M HN 0.527 nan 8.290 nan 0.000 0.444 463 A N 1.591 124.510 122.820 0.165 0.000 2.355 463 A HA 0.618 4.939 4.320 0.001 0.000 0.317 463 A C -0.477 177.256 177.584 0.249 0.000 1.094 463 A CA -0.664 51.474 52.037 0.169 0.000 0.764 463 A CB 1.250 20.312 19.000 0.103 0.000 1.230 463 A HN 0.855 nan 8.150 nan 0.000 0.448 464 E N 1.240 121.593 120.200 0.255 0.000 2.383 464 E HA 0.427 4.778 4.350 0.001 0.000 0.264 464 E C -0.773 175.811 176.600 -0.026 0.000 1.050 464 E CA -0.235 56.212 56.400 0.078 0.000 0.896 464 E CB 0.792 30.504 29.700 0.019 0.000 0.982 464 E HN 0.427 nan 8.360 nan 0.000 0.424 465 V N 3.382 123.227 119.914 -0.115 0.000 2.612 465 V HA 0.376 4.497 4.120 0.001 0.000 0.301 465 V C -0.204 175.841 176.094 -0.082 0.000 1.046 465 V CA -0.402 61.855 62.300 -0.071 0.000 0.946 465 V CB 1.580 33.368 31.823 -0.059 0.000 1.003 465 V HN 0.791 nan 8.190 nan 0.000 0.459 473 V N -0.009 119.911 119.914 0.010 0.000 2.355 473 V HA 0.253 4.373 4.120 0.001 0.000 0.224 473 V C -1.319 174.789 176.094 0.023 0.000 1.073 473 V CA 0.572 62.881 62.300 0.015 0.000 1.059 473 V CB -1.228 30.603 31.823 0.013 0.000 0.678 473 V HN 0.428 nan 8.190 nan 0.000 0.479 474 P HA 0.383 nan 4.420 nan 0.000 0.268 474 P C -0.777 176.533 177.300 0.017 0.000 1.485 474 P CA 0.687 63.801 63.100 0.023 0.000 1.102 474 P CB 0.433 32.141 31.700 0.014 0.000 1.501 475 A N 2.517 125.354 122.820 0.027 0.000 2.479 475 A HA 0.474 4.795 4.320 0.001 0.000 0.296 475 A C -0.259 177.344 177.584 0.033 0.000 1.121 475 A CA -0.946 51.103 52.037 0.021 0.000 0.743 475 A CB 0.921 19.930 19.000 0.017 0.000 1.323 475 A HN 0.425 nan 8.150 nan 0.000 0.415 476 E N 0.154 120.365 120.200 0.020 0.000 2.558 476 E HA 0.324 4.675 4.350 0.001 0.000 0.255 476 E C 1.180 177.793 176.600 0.022 0.000 0.968 476 E CA 1.417 57.832 56.400 0.026 0.000 0.939 476 E CB -0.054 29.646 29.700 0.001 0.000 0.921 476 E HN 1.890 nan 8.360 nan 0.000 0.477 477 G N 2.784 111.625 108.800 0.067 0.000 2.162 477 G HA2 -0.258 3.703 3.960 0.001 0.000 0.260 477 G HA3 -0.258 3.703 3.960 0.001 0.000 0.260 477 G C -0.017 174.949 174.900 0.110 0.000 0.976 477 G CA 0.209 45.296 45.100 -0.020 0.000 0.655 477 G HN 0.510 nan 8.290 nan 0.000 0.533 478 V N 1.422 121.432 119.914 0.161 0.000 2.435 478 V HA 0.696 4.817 4.120 0.001 0.000 0.290 478 V C 0.479 176.729 176.094 0.259 0.000 1.030 478 V CA -0.593 61.813 62.300 0.176 0.000 0.881 478 V CB 1.764 33.648 31.823 0.103 0.000 0.983 478 V HN 0.289 nan 8.190 nan 0.000 0.445 479 I N 4.485 125.230 120.570 0.291 0.000 2.447 479 I HA 0.428 4.598 4.170 0.001 0.000 0.287 479 I C -0.308 175.981 176.117 0.287 0.000 1.023 479 I CA -0.456 61.036 61.300 0.320 0.000 1.083 479 I CB 2.051 40.256 38.000 0.341 0.000 1.245 479 I HN 0.588 nan 8.210 nan 0.000 0.434 480 Q N 4.573 124.506 119.800 0.222 0.000 2.235 480 Q HA 0.712 5.053 4.340 0.001 0.000 0.256 480 Q C -1.192 174.931 176.000 0.204 0.000 0.951 480 Q CA -0.818 55.091 55.803 0.176 0.000 0.890 480 Q CB 3.297 32.100 28.738 0.109 0.000 1.279 480 Q HN 0.387 nan 8.270 nan 0.000 0.444 481 V N 1.483 121.525 119.914 0.214 0.000 2.569 481 V HA 0.241 4.362 4.120 0.001 0.000 0.301 481 V C -0.607 175.599 176.094 0.186 0.000 1.044 481 V CA -0.757 61.679 62.300 0.228 0.000 0.874 481 V CB 2.172 34.166 31.823 0.287 0.000 1.002 481 V HN 0.782 nan 8.190 nan 0.000 0.424 482 T N 4.521 119.177 114.554 0.170 0.000 2.794 482 T HA 0.429 4.780 4.350 0.001 0.000 0.304 482 T C 0.756 175.535 174.700 0.131 0.000 0.973 482 T CA 0.095 62.269 62.100 0.124 0.000 0.972 482 T CB 0.845 69.767 68.868 0.089 0.000 0.952 482 T HN 0.920 nan 8.240 nan 0.000 0.509 483 G N 1.640 110.510 108.800 0.117 0.000 2.683 483 G HA2 0.425 4.385 3.960 0.001 0.000 0.260 483 G HA3 0.425 4.385 3.960 0.001 0.000 0.260 483 G C 1.245 176.168 174.900 0.039 0.000 1.238 483 G CA -0.227 44.933 45.100 0.100 0.000 0.934 483 G HN 0.744 nan 8.290 nan 0.000 0.534 484 A N 0.344 123.174 122.820 0.015 0.000 1.865 484 A HA -0.137 4.183 4.320 0.001 0.000 0.217 484 A C 2.020 179.604 177.584 0.000 0.000 1.191 484 A CA 2.293 54.322 52.037 -0.012 0.000 0.623 484 A CB -0.692 18.298 19.000 -0.017 0.000 0.826 484 A HN 0.740 nan 8.150 nan 0.000 0.444 485 D N -0.953 119.454 120.400 0.012 0.000 2.411 485 D HA 0.098 4.738 4.640 0.001 0.000 0.226 485 D C 1.192 177.500 176.300 0.014 0.000 0.988 485 D CA 1.334 55.341 54.000 0.013 0.000 0.938 485 D CB -1.090 39.721 40.800 0.017 0.000 0.883 485 D HN 1.070 nan 8.370 nan 0.000 0.525 486 G N 0.685 109.494 108.800 0.016 0.000 2.179 486 G HA2 -0.364 3.597 3.960 0.001 0.000 0.260 486 G HA3 -0.364 3.597 3.960 0.001 0.000 0.260 486 G C 0.390 175.304 174.900 0.023 0.000 0.977 486 G CA 0.445 45.555 45.100 0.017 0.000 0.641 486 G HN 0.833 nan 8.290 nan 0.000 0.533 487 R N -0.560 119.956 120.500 0.026 0.000 2.607 487 R HA 0.759 5.100 4.340 0.001 0.000 0.261 487 R C -0.876 175.446 176.300 0.037 0.000 1.051 487 R CA -0.221 55.894 56.100 0.025 0.000 1.110 487 R CB 1.114 31.424 30.300 0.016 0.000 1.158 487 R HN 0.021 nan 8.270 nan 0.000 0.543 488 T N 1.530 116.099 114.554 0.026 0.000 2.786 488 T HA 0.330 4.681 4.350 0.001 0.000 0.283 488 T C -0.832 173.863 174.700 -0.009 0.000 0.992 488 T CA -0.729 61.390 62.100 0.032 0.000 0.954 488 T CB 1.131 70.020 68.868 0.035 0.000 0.934 488 T HN 0.447 nan 8.240 nan 0.000 0.440 489 K N 1.681 122.069 120.400 -0.020 0.000 2.123 489 K HA 0.671 4.992 4.320 0.001 0.000 0.248 489 K C -0.232 176.202 176.600 -0.276 0.000 0.969 489 K CA -0.764 55.411 56.287 -0.187 0.000 0.882 489 K CB 1.288 33.625 32.500 -0.272 0.000 1.080 489 K HN 0.393 nan 8.250 nan 0.000 0.441 490 T N 1.801 116.099 114.554 -0.427 0.000 2.807 490 T HA 0.445 4.795 4.350 0.001 0.000 0.279 490 T C -1.264 173.141 174.700 -0.491 0.000 0.993 490 T CA -0.622 61.301 62.100 -0.295 0.000 0.970 490 T CB 0.273 69.064 68.868 -0.130 0.000 0.950 490 T HN 0.292 nan 8.240 nan 0.000 0.441 491 Y N 0.938 121.272 120.300 0.056 0.000 2.462 491 Y HA 0.606 5.157 4.550 0.001 0.000 0.346 491 Y C 0.348 176.291 175.900 0.071 0.000 0.976 491 Y CA -1.266 56.868 58.100 0.057 0.000 1.044 491 Y CB 1.688 40.184 38.460 0.061 0.000 1.230 491 Y HN 0.389 nan 8.280 nan 0.000 0.455 492 R N 2.429 123.050 120.500 0.202 0.000 2.532 492 R HA 0.460 4.801 4.340 0.001 0.000 0.295 492 R C -0.491 175.867 176.300 0.097 0.000 0.968 492 R CA -0.961 55.211 56.100 0.119 0.000 0.916 492 R CB 1.187 31.524 30.300 0.061 0.000 1.124 492 R HN 0.844 nan 8.270 nan 0.000 0.463 493 R N 1.846 122.359 120.500 0.022 0.000 2.401 493 R HA 0.038 4.379 4.340 0.001 0.000 0.299 493 R C 0.214 176.448 176.300 -0.110 0.000 1.064 493 R CA 0.520 56.567 56.100 -0.089 0.000 1.000 493 R CB 0.628 30.682 30.300 -0.409 0.000 0.973 493 R HN 0.833 nan 8.270 nan 0.000 0.438 494 T N 0.286 114.799 114.554 -0.069 0.000 3.003 494 T HA 0.404 4.755 4.350 0.001 0.000 0.261 494 T C 0.057 174.705 174.700 -0.086 0.000 1.003 494 T CA 0.108 62.174 62.100 -0.057 0.000 0.917 494 T CB 0.725 69.593 68.868 0.001 0.000 1.084 494 T HN 0.534 nan 8.240 nan 0.000 0.522 495 A N 1.719 124.470 122.820 -0.116 0.000 2.577 495 A HA 0.705 5.026 4.320 0.001 0.000 0.297 495 A C 0.195 177.702 177.584 -0.127 0.000 1.060 495 A CA -0.994 50.974 52.037 -0.115 0.000 0.697 495 A CB 1.143 20.085 19.000 -0.097 0.000 1.281 495 A HN 0.337 nan 8.150 nan 0.000 0.402 496 R N 0.165 120.600 120.500 -0.108 0.000 2.521 496 R HA 0.438 4.779 4.340 0.001 0.000 0.289 496 R C 0.150 176.517 176.300 0.112 0.000 0.936 496 R CA 0.649 56.734 56.100 -0.026 0.000 1.089 496 R CB 0.950 31.135 30.300 -0.191 0.000 1.348 496 R HN 0.649 nan 8.270 nan 0.000 0.536 497 T N -1.092 113.492 114.554 0.050 0.000 2.802 497 T HA 0.195 4.545 4.350 0.001 0.000 0.311 497 T C -0.446 174.290 174.700 0.060 0.000 1.405 497 T CA -0.780 61.369 62.100 0.083 0.000 1.016 497 T CB 1.140 70.065 68.868 0.095 0.000 1.352 497 T HN 0.106 nan 8.240 nan 0.000 0.498 498 F N 2.797 122.723 119.950 -0.040 0.000 2.063 498 F HA -0.136 4.391 4.527 0.001 0.000 0.298 498 F C 1.719 177.503 175.800 -0.027 0.000 1.109 498 F CA 2.325 60.288 58.000 -0.062 0.000 1.212 498 F CB -0.040 38.911 39.000 -0.083 0.000 0.973 498 F HN 0.676 nan 8.300 nan 0.000 0.480 499 N N -0.017 118.630 118.700 -0.088 0.000 2.449 499 N HA -0.041 4.700 4.740 0.001 0.000 0.191 499 N C -0.559 174.873 175.510 -0.131 0.000 1.161 499 N CA -0.154 52.793 53.050 -0.171 0.000 0.863 499 N CB -0.136 38.354 38.487 0.005 0.000 0.980 499 N HN 0.226 nan 8.380 nan 0.000 0.458 500 D N 0.286 120.616 120.400 -0.116 0.000 2.361 500 D HA 0.060 4.701 4.640 0.001 0.000 0.239 500 D C 0.974 177.204 176.300 -0.118 0.000 1.200 500 D CA 0.182 54.124 54.000 -0.096 0.000 0.915 500 D CB 0.369 41.118 40.800 -0.086 0.000 1.170 500 D HN 0.110 nan 8.370 nan 0.000 0.444 501 G N 0.345 109.094 108.800 -0.085 0.000 2.368 501 G HA2 0.108 4.068 3.960 0.001 0.000 0.233 501 G HA3 0.108 4.068 3.960 0.001 0.000 0.233 501 G C 0.135 174.986 174.900 -0.081 0.000 1.267 501 G CA -0.404 44.652 45.100 -0.074 0.000 0.873 501 G HN 0.408 nan 8.290 nan 0.000 0.539 502 L N 2.722 123.905 121.223 -0.067 0.000 2.615 502 L HA 0.331 4.672 4.340 0.001 0.000 0.284 502 L C 1.351 178.209 176.870 -0.019 0.000 1.237 502 L CA 1.467 56.281 54.840 -0.044 0.000 0.905 502 L CB 0.740 42.795 42.059 -0.005 0.000 1.149 502 L HN 0.518 nan 8.230 nan 0.000 0.499 503 G N 4.383 113.155 108.800 -0.048 0.000 2.763 503 G HA2 0.054 4.015 3.960 0.001 0.000 0.205 503 G HA3 0.054 4.015 3.960 0.001 0.000 0.205 503 G C -0.051 175.035 174.900 0.309 0.000 1.137 503 G CA -0.187 44.933 45.100 0.033 0.000 0.839 503 G HN 0.433 nan 8.290 nan 0.000 0.596 504 F N 2.504 122.513 119.950 0.099 0.000 2.371 504 F HA 0.569 5.097 4.527 0.001 0.000 0.363 504 F C 0.076 175.970 175.800 0.157 0.000 1.122 504 F CA -1.326 56.724 58.000 0.083 0.000 1.129 504 F CB 0.755 39.783 39.000 0.048 0.000 1.173 504 F HN -0.258 nan 8.300 nan 0.000 0.489 505 T N 5.419 120.139 114.554 0.277 0.000 2.807 505 T HA 0.771 5.122 4.350 0.001 0.000 0.279 505 T C -0.234 174.546 174.700 0.134 0.000 0.993 505 T CA -0.438 61.784 62.100 0.204 0.000 0.970 505 T CB 1.407 70.359 68.868 0.139 0.000 0.950 505 T HN 0.301 nan 8.240 nan 0.000 0.441 506 I N 1.708 122.359 120.570 0.135 0.000 2.571 506 I HA 0.445 4.616 4.170 0.001 0.000 0.289 506 I C 0.634 176.811 176.117 0.100 0.000 1.115 506 I CA -1.066 60.261 61.300 0.045 0.000 1.045 506 I CB 2.098 40.025 38.000 -0.122 0.000 1.238 506 I HN 0.736 nan 8.210 nan 0.000 0.424 507 G N 4.237 113.087 108.800 0.084 0.000 2.361 507 G HA2 0.118 4.079 3.960 0.001 0.000 0.260 507 G HA3 0.118 4.079 3.960 0.001 0.000 0.260 507 G C -0.059 174.934 174.900 0.156 0.000 1.261 507 G CA -0.205 44.968 45.100 0.121 0.000 0.897 507 G HN 0.638 nan 8.290 nan 0.000 0.499 508 E N 1.212 121.546 120.200 0.223 0.000 2.529 508 E HA 0.160 4.511 4.350 0.001 0.000 0.259 508 E C 1.408 178.093 176.600 0.141 0.000 0.966 508 E CA 1.563 58.091 56.400 0.212 0.000 0.937 508 E CB 0.517 30.403 29.700 0.311 0.000 0.923 508 E HN 1.057 nan 8.360 nan 0.000 0.468 509 G N 3.197 112.049 108.800 0.087 0.000 2.195 509 G HA2 -0.281 3.680 3.960 0.001 0.000 0.246 509 G HA3 -0.281 3.680 3.960 0.001 0.000 0.246 509 G C 0.481 175.399 174.900 0.030 0.000 0.984 509 G CA 0.561 45.682 45.100 0.035 0.000 0.633 509 G HN 0.786 nan 8.290 nan 0.000 0.525 510 T N -1.320 113.284 114.554 0.082 0.000 2.874 510 T HA 0.635 4.986 4.350 0.001 0.000 0.281 510 T C -0.027 174.732 174.700 0.098 0.000 0.994 510 T CA -0.166 62.009 62.100 0.125 0.000 1.015 510 T CB 1.658 70.598 68.868 0.120 0.000 1.028 510 T HN 0.359 nan 8.240 nan 0.000 0.523 511 H N -0.276 118.853 119.070 0.099 0.000 2.499 511 H HA 0.654 5.211 4.556 0.001 0.000 0.340 511 H C -0.105 175.314 175.328 0.151 0.000 1.148 511 H CA -0.631 55.472 56.048 0.092 0.000 1.215 511 H CB 1.181 30.954 29.762 0.018 0.000 1.529 511 H HN 0.673 nan 8.280 nan 0.000 0.510 512 E N 1.246 121.633 120.200 0.312 0.000 2.314 512 E HA 0.150 4.500 4.350 0.001 0.000 0.272 512 E C -1.103 175.662 176.600 0.276 0.000 0.884 512 E CA -0.910 55.674 56.400 0.307 0.000 0.753 512 E CB 2.948 32.916 29.700 0.445 0.000 1.213 512 E HN 0.490 nan 8.360 nan 0.000 0.432 513 Q N 2.679 122.587 119.800 0.181 0.000 2.278 513 Q HA 0.239 4.580 4.340 0.001 0.000 0.257 513 Q C -1.491 174.735 176.000 0.377 0.000 0.928 513 Q CA -0.621 55.293 55.803 0.185 0.000 0.932 513 Q CB 0.767 29.546 28.738 0.067 0.000 1.221 513 Q HN 0.362 nan 8.270 nan 0.000 0.434 514 W N 2.456 123.695 121.300 -0.102 0.000 2.478 514 W HA 0.371 5.032 4.660 0.002 0.000 0.318 514 W C -0.520 175.765 176.519 -0.390 0.000 1.062 514 W CA -0.620 56.528 57.345 -0.328 0.000 1.210 514 W CB 2.018 31.178 29.460 -0.500 0.000 1.325 514 W HN 0.415 nan 8.180 nan 0.000 0.496 515 T N 4.526 118.947 114.554 -0.222 0.000 2.771 515 T HA 0.471 4.822 4.350 0.001 0.000 0.281 515 T C -0.849 173.661 174.700 -0.316 0.000 0.982 515 T CA -0.385 61.603 62.100 -0.187 0.000 0.978 515 T CB 0.238 69.047 68.868 -0.097 0.000 0.930 515 T HN -0.023 nan 8.240 nan 0.000 0.447 516 F N 3.272 123.239 119.950 0.028 0.000 2.385 516 F HA 0.495 5.023 4.527 0.001 0.000 0.360 516 F C 0.015 175.795 175.800 -0.034 0.000 1.122 516 F CA -1.072 56.945 58.000 0.028 0.000 1.090 516 F CB 1.055 40.110 39.000 0.091 0.000 1.150 516 F HN 0.260 nan 8.300 nan 0.000 0.472 517 L N 5.486 126.743 121.223 0.057 0.000 2.324 517 L HA 0.440 4.780 4.340 0.001 0.000 0.274 517 L C -0.668 176.139 176.870 -0.104 0.000 1.012 517 L CA -0.476 54.295 54.840 -0.115 0.000 0.859 517 L CB 0.394 42.283 42.059 -0.284 0.000 1.224 517 L HN 0.438 nan 8.230 nan 0.000 0.429 518 N N 4.247 122.920 118.700 -0.045 0.000 2.408 518 N HA 0.143 4.884 4.740 0.001 0.000 0.257 518 N C 0.294 175.744 175.510 -0.099 0.000 1.064 518 N CA -0.237 52.796 53.050 -0.028 0.000 0.952 518 N CB 1.067 39.599 38.487 0.075 0.000 1.093 518 N HN 0.602 nan 8.380 nan 0.000 0.490 519 L N 1.799 122.908 121.223 -0.189 0.000 2.592 519 L HA 0.196 4.537 4.340 0.001 0.000 0.227 519 L C 0.651 177.443 176.870 -0.130 0.000 1.127 519 L CA 0.240 54.941 54.840 -0.231 0.000 0.884 519 L CB -0.938 40.810 42.059 -0.518 0.000 1.065 519 L HN 0.557 nan 8.230 nan 0.000 0.457 520 S N -1.847 113.816 115.700 -0.062 0.000 2.689 520 S HA 0.599 5.069 4.470 0.001 0.000 0.306 520 S C -2.130 172.475 174.600 0.008 0.000 1.104 520 S CA -1.164 57.028 58.200 -0.013 0.000 0.973 520 S CB 1.719 64.927 63.200 0.014 0.000 1.121 520 S HN -0.086 nan 8.310 nan 0.000 0.523 521 P HA 0.196 nan 4.420 nan 0.000 0.245 521 P C 0.343 177.633 177.300 -0.016 0.000 1.212 521 P CA 0.184 63.286 63.100 0.004 0.000 0.774 521 P CB -0.374 31.329 31.700 0.005 0.000 0.999 522 I N -3.110 117.437 120.570 -0.037 0.000 2.525 522 I HA 0.432 4.602 4.170 0.001 0.000 0.301 522 I C -0.689 175.294 176.117 -0.224 0.000 0.992 522 I CA -1.674 59.560 61.300 -0.110 0.000 1.162 522 I CB 2.103 40.040 38.000 -0.105 0.000 1.332 522 I HN -0.306 nan 8.210 nan 0.000 0.458 523 L N 6.012 127.118 121.223 -0.195 0.000 2.265 523 L HA 0.409 4.750 4.340 0.001 0.000 0.288 523 L C -0.694 176.068 176.870 -0.180 0.000 1.058 523 L CA -0.201 54.572 54.840 -0.112 0.000 0.809 523 L CB 0.183 42.225 42.059 -0.028 0.000 1.179 523 L HN 0.626 nan 8.230 nan 0.000 0.429 524 H N 5.536 124.659 119.070 0.089 0.000 2.587 524 H HA 0.316 4.873 4.556 0.001 0.000 0.325 524 H C -2.324 173.044 175.328 0.066 0.000 1.012 524 H CA -2.105 54.005 56.048 0.103 0.000 1.213 524 H CB 1.438 31.258 29.762 0.097 0.000 1.431 524 H HN 0.398 nan 8.280 nan 0.000 0.492 525 P HA 0.049 nan 4.420 nan 0.000 0.273 525 P C 0.039 177.404 177.300 0.109 0.000 1.428 525 P CA -0.298 62.876 63.100 0.124 0.000 0.995 525 P CB 0.153 31.923 31.700 0.117 0.000 1.286 526 M N 3.186 122.787 119.600 0.003 0.000 2.235 526 M HA 0.237 4.717 4.480 0.001 0.000 0.351 526 M C 0.300 176.584 176.300 -0.027 0.000 1.178 526 M CA -0.107 55.137 55.300 -0.093 0.000 1.143 526 M CB -0.236 32.005 32.600 -0.599 0.000 1.530 526 M HN 0.403 nan 8.290 nan 0.000 0.461 527 H N 2.517 121.531 119.070 -0.092 0.000 2.667 527 H HA 0.679 5.236 4.556 0.001 0.000 0.353 527 H C -1.691 173.698 175.328 0.101 0.000 1.072 527 H CA -0.666 55.333 56.048 -0.081 0.000 1.214 527 H CB 1.029 30.774 29.762 -0.028 0.000 1.600 527 H HN 0.668 nan 8.280 nan 0.000 0.527 528 I N 5.308 125.745 120.570 -0.221 0.000 2.389 528 I HA 0.236 4.407 4.170 0.001 0.000 0.288 528 I C 0.393 176.440 176.117 -0.117 0.000 0.999 528 I CA -0.664 60.591 61.300 -0.074 0.000 1.129 528 I CB 1.317 39.193 38.000 -0.206 0.000 1.288 528 I HN 0.576 nan 8.210 nan 0.000 0.444 529 H N 4.755 123.794 119.070 -0.051 0.000 2.730 529 H HA 0.162 4.719 4.556 0.001 0.000 0.376 529 H C 0.768 176.131 175.328 0.059 0.000 1.299 529 H CA -0.349 55.705 56.048 0.010 0.000 1.447 529 H CB 1.255 31.126 29.762 0.181 0.000 1.493 529 H HN 0.648 nan 8.280 nan 0.000 0.619 530 L N -0.359 120.863 121.223 -0.002 0.000 2.848 530 L HA -0.298 4.043 4.340 0.001 0.000 0.400 530 L C -0.089 176.690 176.870 -0.151 0.000 2.308 530 L CA 2.218 56.918 54.840 -0.232 0.000 2.916 530 L CB -1.530 40.177 42.059 -0.586 0.000 1.824 530 L HN 0.719 nan 8.230 nan 0.000 0.807 531 A N 0.297 123.059 122.820 -0.097 0.000 2.294 531 A HA 0.617 4.937 4.320 0.001 0.000 0.330 531 A C -0.522 177.015 177.584 -0.078 0.000 1.133 531 A CA 0.018 51.876 52.037 -0.297 0.000 0.836 531 A CB 0.392 18.814 19.000 -0.962 0.000 1.190 531 A HN 0.377 nan 8.150 nan 0.000 0.492 532 D N 0.438 120.733 120.400 -0.174 0.000 2.225 532 D HA 0.528 5.169 4.640 0.001 0.000 0.248 532 D C -1.181 175.006 176.300 -0.189 0.000 1.096 532 D CA 0.699 54.717 54.000 0.030 0.000 0.863 532 D CB 0.975 41.815 40.800 0.068 0.000 1.156 532 D HN 0.288 nan 8.370 nan 0.000 0.450 533 F N 0.611 120.647 119.950 0.143 0.000 2.598 533 F HA 0.330 4.858 4.527 0.001 0.000 0.327 533 F C 0.606 176.532 175.800 0.210 0.000 1.057 533 F CA -0.777 57.295 58.000 0.120 0.000 0.957 533 F CB 1.532 40.637 39.000 0.176 0.000 1.278 533 F HN 0.020 nan 8.300 nan 0.000 0.484 534 Q N 0.502 120.476 119.800 0.289 0.000 2.377 534 Q HA 0.564 4.905 4.340 0.001 0.000 0.271 534 Q C -1.361 174.701 176.000 0.103 0.000 1.077 534 Q CA -1.159 54.770 55.803 0.210 0.000 0.820 534 Q CB 2.984 31.814 28.738 0.153 0.000 1.347 534 Q HN 0.344 nan 8.270 nan 0.000 0.444 535 V N 3.903 123.862 119.914 0.074 0.000 2.470 535 V HA 0.023 4.144 4.120 0.001 0.000 0.276 535 V C 0.984 177.092 176.094 0.024 0.000 1.040 535 V CA 0.466 62.764 62.300 -0.003 0.000 1.008 535 V CB 0.451 32.293 31.823 0.030 0.000 0.990 535 V HN 0.776 nan 8.190 nan 0.000 0.477 536 L N 3.891 125.116 121.223 0.004 0.000 2.316 536 L HA 0.466 4.807 4.340 0.001 0.000 0.207 536 L C 1.024 177.898 176.870 0.006 0.000 1.070 536 L CA 0.872 55.718 54.840 0.010 0.000 0.820 536 L CB 0.232 42.290 42.059 -0.002 0.000 0.992 536 L HN 0.813 nan 8.230 nan 0.000 0.466 537 G N 0.044 108.850 108.800 0.010 0.000 2.556 537 G HA2 0.481 4.442 3.960 0.001 0.000 0.294 537 G HA3 0.481 4.442 3.960 0.001 0.000 0.294 537 G C -1.529 173.395 174.900 0.041 0.000 1.516 537 G CA -0.738 44.374 45.100 0.019 0.000 0.824 537 G HN -0.098 nan 8.290 nan 0.000 0.535 538 R N 0.649 121.179 120.500 0.049 0.000 2.686 538 R HA 0.623 4.964 4.340 0.001 0.000 0.286 538 R C -1.565 174.776 176.300 0.068 0.000 0.969 538 R CA -0.944 55.202 56.100 0.076 0.000 0.898 538 R CB 2.592 32.937 30.300 0.075 0.000 1.183 538 R HN 0.500 nan 8.270 nan 0.000 0.456 539 D N 1.035 121.501 120.400 0.111 0.000 2.819 539 D HA 0.325 4.965 4.640 0.001 0.000 0.232 539 D C -0.840 175.502 176.300 0.070 0.000 1.160 539 D CA -0.538 53.481 54.000 0.032 0.000 0.858 539 D CB 2.391 43.163 40.800 -0.047 0.000 1.610 539 D HN 0.555 nan 8.370 nan 0.000 0.481 540 A N 1.914 124.712 122.820 -0.037 0.000 2.322 540 A HA 0.561 4.882 4.320 0.001 0.000 0.269 540 A C -1.195 176.318 177.584 -0.118 0.000 1.094 540 A CA -0.037 52.013 52.037 0.022 0.000 0.807 540 A CB 0.355 19.356 19.000 0.002 0.000 1.047 540 A HN 0.532 nan 8.150 nan 0.000 0.487 541 Y N -0.292 120.022 120.300 0.023 0.000 2.536 541 Y HA 0.346 4.896 4.550 0.001 0.000 0.347 541 Y C -0.028 175.887 175.900 0.025 0.000 1.000 541 Y CA -0.726 57.389 58.100 0.025 0.000 1.051 541 Y CB 1.901 40.374 38.460 0.022 0.000 1.259 541 Y HN 0.691 nan 8.280 nan 0.000 0.468 542 D N 1.491 121.988 120.400 0.162 0.000 2.316 542 D HA 0.370 5.011 4.640 0.001 0.000 0.245 542 D C -0.201 176.194 176.300 0.157 0.000 1.171 542 D CA 0.192 54.269 54.000 0.128 0.000 0.856 542 D CB 1.678 42.529 40.800 0.085 0.000 1.090 542 D HN 0.734 nan 8.370 nan 0.000 0.476 543 A N 2.747 125.643 122.820 0.128 0.000 2.470 543 A HA 0.054 4.374 4.320 0.001 0.000 0.251 543 A C 1.669 179.336 177.584 0.138 0.000 1.245 543 A CA 0.174 52.282 52.037 0.117 0.000 0.932 543 A CB -0.088 18.944 19.000 0.054 0.000 1.037 543 A HN 0.513 nan 8.150 nan 0.000 0.522 544 S N -0.685 115.084 115.700 0.115 0.000 2.507 544 S HA -0.026 4.445 4.470 0.001 0.000 0.235 544 S C 1.763 176.430 174.600 0.111 0.000 0.988 544 S CA 1.083 59.346 58.200 0.105 0.000 0.944 544 S CB -0.656 62.588 63.200 0.074 0.000 0.762 544 S HN 0.650 nan 8.310 nan 0.000 0.526 545 G N 0.373 109.249 108.800 0.127 0.000 2.535 545 G HA2 -0.013 3.948 3.960 0.001 0.000 0.218 545 G HA3 -0.013 3.948 3.960 0.001 0.000 0.218 545 G C 0.135 175.130 174.900 0.158 0.000 1.122 545 G CA -0.109 45.066 45.100 0.126 0.000 0.769 545 G HN 0.585 nan 8.290 nan 0.000 0.549 546 F N 1.708 121.680 119.950 0.036 0.000 2.421 546 F HA 0.322 4.850 4.527 0.001 0.000 0.358 546 F C -0.217 175.599 175.800 0.028 0.000 1.115 546 F CA -1.311 56.707 58.000 0.030 0.000 1.160 546 F CB 0.943 39.943 39.000 0.001 0.000 1.123 546 F HN -0.135 nan 8.300 nan 0.000 0.508 547 D N 7.506 127.579 120.400 -0.544 0.000 2.347 547 D HA 0.113 4.754 4.640 0.001 0.000 0.235 547 D C 1.264 177.251 176.300 -0.521 0.000 1.149 547 D CA -0.051 53.724 54.000 -0.375 0.000 0.850 547 D CB 1.030 41.692 40.800 -0.230 0.000 1.061 547 D HN 0.667 nan 8.370 nan 0.000 0.487 548 L N 2.948 124.020 121.223 -0.252 0.000 2.012 548 L HA -0.188 4.153 4.340 0.001 0.000 0.210 548 L C 2.398 179.211 176.870 -0.095 0.000 1.073 548 L CA 1.284 56.049 54.840 -0.126 0.000 0.748 548 L CB -0.639 41.434 42.059 0.023 0.000 0.891 548 L HN 0.400 nan 8.230 nan 0.000 0.431 549 A N -0.294 122.480 122.820 -0.076 0.000 2.067 549 A HA -0.157 4.164 4.320 0.001 0.000 0.219 549 A C 2.204 179.760 177.584 -0.047 0.000 1.158 549 A CA 1.314 53.327 52.037 -0.040 0.000 0.661 549 A CB -0.371 18.613 19.000 -0.027 0.000 0.801 549 A HN 0.364 nan 8.150 nan 0.000 0.452 550 L N -1.455 119.710 121.223 -0.098 0.000 2.298 550 L HA 0.339 4.680 4.340 0.001 0.000 0.209 550 L C 1.492 178.330 176.870 -0.053 0.000 1.084 550 L CA 1.666 56.459 54.840 -0.079 0.000 0.816 550 L CB -0.197 41.800 42.059 -0.102 0.000 0.967 550 L HN 0.637 nan 8.230 nan 0.000 0.460 551 G N -0.630 108.092 108.800 -0.129 0.000 2.225 551 G HA2 -0.045 3.916 3.960 0.001 0.000 0.264 551 G HA3 -0.045 3.916 3.960 0.001 0.000 0.264 551 G C 0.379 175.349 174.900 0.117 0.000 1.060 551 G CA 0.271 45.416 45.100 0.076 0.000 0.833 551 G HN 0.932 nan 8.290 nan 0.000 0.498 552 G N -1.680 106.973 108.800 -0.245 0.000 2.649 552 G HA2 0.874 4.834 3.960 0.001 0.000 0.290 552 G HA3 0.874 4.834 3.960 0.001 0.000 0.290 552 G C -0.232 174.599 174.900 -0.114 0.000 1.426 552 G CA 0.558 45.662 45.100 0.006 0.000 0.794 552 G HN 1.312 nan 8.290 nan 0.000 0.483 553 T N -0.969 113.662 114.554 0.129 0.000 2.832 553 T HA 0.398 4.749 4.350 0.001 0.000 0.296 553 T C 1.109 175.839 174.700 0.050 0.000 0.968 553 T CA -0.527 61.646 62.100 0.120 0.000 1.107 553 T CB 2.145 71.135 68.868 0.203 0.000 0.916 553 T HN 0.517 nan 8.240 nan 0.000 0.517 554 R N 1.315 121.830 120.500 0.025 0.000 2.048 554 R HA 0.089 4.430 4.340 0.001 0.000 0.224 554 R C 1.307 177.633 176.300 0.043 0.000 1.163 554 R CA 0.687 56.800 56.100 0.022 0.000 0.956 554 R CB -0.465 29.839 30.300 0.007 0.000 0.849 554 R HN 0.678 nan 8.270 nan 0.000 0.435 555 T N 2.055 116.642 114.554 0.056 0.000 2.859 555 T HA 0.366 4.717 4.350 0.001 0.000 0.281 555 T C -2.641 172.115 174.700 0.093 0.000 1.005 555 T CA -2.598 59.540 62.100 0.064 0.000 1.025 555 T CB 1.650 70.551 68.868 0.055 0.000 0.977 555 T HN -0.164 nan 8.240 nan 0.000 0.458 556 P HA 0.086 nan 4.420 nan 0.000 0.266 556 P C -0.596 176.789 177.300 0.140 0.000 1.193 556 P CA -0.336 62.837 63.100 0.121 0.000 0.770 556 P CB 0.294 32.057 31.700 0.104 0.000 0.836 557 V N 4.773 124.786 119.914 0.166 0.000 2.585 557 V HA 0.029 4.149 4.120 0.001 0.000 0.296 557 V C 1.082 177.314 176.094 0.230 0.000 1.035 557 V CA 0.608 63.017 62.300 0.182 0.000 1.084 557 V CB -0.417 31.485 31.823 0.132 0.000 0.953 557 V HN 0.428 nan 8.190 nan 0.000 0.483 558 R N 3.945 124.585 120.500 0.234 0.000 2.393 558 R HA 0.444 4.785 4.340 0.001 0.000 0.315 558 R C -0.519 175.847 176.300 0.109 0.000 0.952 558 R CA -0.878 55.321 56.100 0.166 0.000 0.842 558 R CB 1.727 32.082 30.300 0.091 0.000 1.163 558 R HN 0.699 nan 8.270 nan 0.000 0.450 559 L N 2.872 124.070 121.223 -0.040 0.000 2.525 559 L HA 0.003 4.344 4.340 0.001 0.000 0.278 559 L C -0.244 176.472 176.870 -0.258 0.000 1.218 559 L CA 0.525 55.061 54.840 -0.507 0.000 0.878 559 L CB 0.426 42.194 42.059 -0.485 0.000 1.127 559 L HN 0.536 nan 8.230 nan 0.000 0.492 560 D N 6.443 126.675 120.400 -0.281 0.000 2.477 560 D HA 0.337 4.978 4.640 0.001 0.000 0.239 560 D C -1.967 174.263 176.300 -0.117 0.000 1.102 560 D CA -2.212 51.710 54.000 -0.130 0.000 0.901 560 D CB 1.272 42.026 40.800 -0.076 0.000 1.026 560 D HN 0.287 nan 8.370 nan 0.000 0.515 561 P HA 0.062 nan 4.420 nan 0.000 0.241 561 P C 0.127 177.399 177.300 -0.046 0.000 1.191 561 P CA 0.389 63.445 63.100 -0.074 0.000 0.771 561 P CB 0.168 31.833 31.700 -0.059 0.000 0.929 562 D N -1.916 118.462 120.400 -0.037 0.000 2.325 562 D HA 0.018 4.659 4.640 0.001 0.000 0.225 562 D C -0.262 176.026 176.300 -0.020 0.000 1.096 562 D CA 0.080 54.066 54.000 -0.023 0.000 0.844 562 D CB -0.881 39.910 40.800 -0.015 0.000 0.925 562 D HN -0.099 nan 8.370 nan 0.000 0.513 563 T N 1.933 116.470 114.554 -0.027 0.000 3.155 563 T HA 0.360 4.711 4.350 0.001 0.000 0.384 563 T C -2.645 172.042 174.700 -0.021 0.000 1.351 563 T CA -1.414 60.675 62.100 -0.018 0.000 1.198 563 T CB 1.308 70.168 68.868 -0.013 0.000 1.106 563 T HN -0.049 nan 8.240 nan 0.000 0.564 564 P HA 0.235 nan 4.420 nan 0.000 0.268 564 P C -0.689 176.611 177.300 0.001 0.000 1.205 564 P CA -0.425 62.669 63.100 -0.011 0.000 0.771 564 P CB 0.633 32.329 31.700 -0.006 0.000 0.858 565 V N 5.225 125.143 119.914 0.007 0.000 2.275 565 V HA 0.252 4.373 4.120 0.001 0.000 0.272 565 V C -1.755 174.354 176.094 0.024 0.000 1.028 565 V CA -1.639 60.675 62.300 0.022 0.000 0.810 565 V CB 0.674 32.520 31.823 0.038 0.000 1.043 565 V HN 0.611 nan 8.190 nan 0.000 0.453 566 P HA 0.191 nan 4.420 nan 0.000 0.269 566 P C -0.233 177.086 177.300 0.031 0.000 1.209 566 P CA -0.249 62.864 63.100 0.021 0.000 0.776 566 P CB 1.182 32.892 31.700 0.017 0.000 0.876 567 L N 1.318 122.560 121.223 0.032 0.000 2.456 567 L HA 0.228 4.569 4.340 0.001 0.000 0.272 567 L C 1.238 178.132 176.870 0.040 0.000 1.189 567 L CA -0.604 54.261 54.840 0.041 0.000 0.846 567 L CB 0.108 42.190 42.059 0.038 0.000 1.111 567 L HN 0.478 nan 8.230 nan 0.000 0.475 568 A N 5.329 128.182 122.820 0.054 0.000 2.462 568 A HA 0.268 4.589 4.320 0.001 0.000 0.243 568 A C -1.380 176.228 177.584 0.041 0.000 1.076 568 A CA -1.000 51.068 52.037 0.052 0.000 0.773 568 A CB -0.102 18.945 19.000 0.079 0.000 1.010 568 A HN 0.651 nan 8.150 nan 0.000 0.493 569 P HA -0.090 nan 4.420 nan 0.000 0.226 569 P C 0.432 177.739 177.300 0.012 0.000 1.153 569 P CA 1.060 64.165 63.100 0.009 0.000 0.777 569 P CB -0.043 31.652 31.700 -0.007 0.000 0.794 570 N N 0.100 118.824 118.700 0.040 0.000 2.268 570 N HA -0.063 4.678 4.740 0.001 0.000 0.204 570 N C 0.687 176.235 175.510 0.064 0.000 1.124 570 N CA 0.040 53.124 53.050 0.057 0.000 0.838 570 N CB -0.720 37.835 38.487 0.113 0.000 0.994 570 N HN 0.314 nan 8.380 nan 0.000 0.489 571 E N 0.298 120.536 120.200 0.064 0.000 2.585 571 E HA 0.156 4.507 4.350 0.001 0.000 0.206 571 E C 0.087 176.726 176.600 0.066 0.000 1.007 571 E CA -0.307 56.146 56.400 0.088 0.000 1.028 571 E CB -0.288 29.491 29.700 0.132 0.000 1.087 571 E HN 0.245 nan 8.360 nan 0.000 0.455 572 L N 0.161 121.387 121.223 0.004 0.000 2.700 572 L HA 0.415 4.756 4.340 0.001 0.000 0.234 572 L C 1.081 177.872 176.870 -0.131 0.000 1.156 572 L CA -0.241 54.586 54.840 -0.022 0.000 0.946 572 L CB 0.399 42.431 42.059 -0.046 0.000 1.216 572 L HN 0.241 nan 8.230 nan 0.000 0.493 573 G N -1.146 107.566 108.800 -0.146 0.000 2.945 573 G HA2 0.271 4.232 3.960 0.001 0.000 0.156 573 G HA3 0.271 4.232 3.960 0.001 0.000 0.156 573 G C -0.962 173.941 174.900 0.004 0.000 1.375 573 G CA -0.502 44.431 45.100 -0.279 0.000 1.039 573 G HN 0.234 nan 8.290 nan 0.000 0.586 574 H N 0.410 119.639 119.070 0.265 0.000 2.552 574 H HA 0.498 5.054 4.556 0.001 0.000 0.311 574 H C -0.166 175.312 175.328 0.250 0.000 1.071 574 H CA -0.292 55.931 56.048 0.291 0.000 1.307 574 H CB 1.388 31.319 29.762 0.282 0.000 1.416 574 H HN -0.012 nan 8.280 nan 0.000 0.464 575 K N 1.989 122.659 120.400 0.450 0.000 2.385 575 K HA 0.144 4.464 4.320 0.001 0.000 0.248 575 K C -0.278 176.517 176.600 0.324 0.000 0.955 575 K CA -0.695 55.805 56.287 0.355 0.000 0.816 575 K CB 2.135 34.919 32.500 0.472 0.000 1.250 575 K HN 0.819 nan 8.250 nan 0.000 0.434 576 D N -1.682 118.705 120.400 -0.022 0.000 2.525 576 D HA 0.109 4.750 4.640 0.001 0.000 0.231 576 D C -0.414 175.661 176.300 -0.375 0.000 1.216 576 D CA -0.076 53.890 54.000 -0.058 0.000 0.813 576 D CB 0.623 41.569 40.800 0.243 0.000 1.108 576 D HN 0.038 nan 8.370 nan 0.000 0.524 577 V N 1.675 121.160 119.914 -0.714 0.000 2.568 577 V HA 0.387 4.508 4.120 0.001 0.000 0.276 577 V C -1.481 174.242 176.094 -0.618 0.000 1.002 577 V CA -0.805 61.142 62.300 -0.587 0.000 0.879 577 V CB 0.575 32.261 31.823 -0.230 0.000 1.040 577 V HN 0.102 nan 8.190 nan 0.000 0.457 578 F N 1.256 121.231 119.950 0.042 0.000 2.458 578 F HA 0.667 5.195 4.527 0.001 0.000 0.330 578 F C 0.563 176.372 175.800 0.016 0.000 1.082 578 F CA -1.053 56.968 58.000 0.036 0.000 0.995 578 F CB 0.966 39.996 39.000 0.051 0.000 1.170 578 F HN 0.307 nan 8.300 nan 0.000 0.478 579 Q N 1.043 120.971 119.800 0.214 0.000 2.327 579 Q HA 0.512 4.853 4.340 0.001 0.000 0.254 579 Q C -0.952 175.138 176.000 0.150 0.000 0.952 579 Q CA -0.514 55.380 55.803 0.151 0.000 0.884 579 Q CB 1.834 30.650 28.738 0.130 0.000 1.224 579 Q HN 0.549 nan 8.270 nan 0.000 0.422 580 V N 4.232 124.217 119.914 0.120 0.000 2.380 580 V HA 0.260 4.381 4.120 0.001 0.000 0.272 580 V C -2.301 173.857 176.094 0.107 0.000 1.011 580 V CA -1.759 60.612 62.300 0.118 0.000 0.826 580 V CB 0.865 32.747 31.823 0.098 0.000 1.040 580 V HN 0.662 nan 8.190 nan 0.000 0.441 581 P HA 0.493 nan 4.420 nan 0.000 0.274 581 P C 0.234 177.577 177.300 0.071 0.000 1.260 581 P CA 0.113 63.250 63.100 0.062 0.000 0.793 581 P CB 0.959 32.692 31.700 0.055 0.000 1.048 582 G N -0.926 107.904 108.800 0.051 0.000 2.690 582 G HA2 0.585 4.546 3.960 0.001 0.000 0.291 582 G HA3 0.585 4.546 3.960 0.001 0.000 0.291 582 G C -3.064 171.863 174.900 0.045 0.000 1.403 582 G CA -1.425 43.707 45.100 0.052 0.000 0.864 582 G HN 0.290 nan 8.290 nan 0.000 0.480 583 P HA 0.292 nan 4.420 nan 0.000 0.282 583 P C -0.889 176.489 177.300 0.130 0.000 1.274 583 P CA 0.197 63.338 63.100 0.069 0.000 0.770 583 P CB 1.259 33.005 31.700 0.076 0.000 0.867 584 Q N 1.037 120.914 119.800 0.129 0.000 2.633 584 Q HA 0.635 4.976 4.340 0.001 0.000 0.289 584 Q C -0.762 175.328 176.000 0.151 0.000 0.940 584 Q CA -0.942 54.995 55.803 0.224 0.000 0.785 584 Q CB 2.425 31.258 28.738 0.160 0.000 1.467 584 Q HN 0.542 nan 8.270 nan 0.000 0.401 585 G N 0.531 109.498 108.800 0.279 0.000 2.482 585 G HA2 0.683 4.644 3.960 0.001 0.000 0.317 585 G HA3 0.683 4.644 3.960 0.001 0.000 0.317 585 G C -1.909 173.103 174.900 0.187 0.000 1.241 585 G CA -0.352 44.845 45.100 0.162 0.000 0.967 585 G HN 0.322 nan 8.290 nan 0.000 0.482 586 L N 0.879 122.201 121.223 0.164 0.000 2.385 586 L HA 0.723 5.063 4.340 0.001 0.000 0.273 586 L C -0.293 176.641 176.870 0.107 0.000 0.990 586 L CA -0.793 54.137 54.840 0.150 0.000 0.821 586 L CB 1.833 44.004 42.059 0.188 0.000 1.279 586 L HN 0.508 nan 8.230 nan 0.000 0.412 587 R N 4.420 124.951 120.500 0.052 0.000 2.288 587 R HA 0.683 5.024 4.340 0.001 0.000 0.326 587 R C -1.054 175.229 176.300 -0.028 0.000 0.959 587 R CA -0.655 55.458 56.100 0.021 0.000 0.834 587 R CB 1.610 31.925 30.300 0.026 0.000 1.157 587 R HN 0.610 nan 8.270 nan 0.000 0.470 588 V N 0.563 120.446 119.914 -0.051 0.000 2.815 588 V HA 0.697 4.817 4.120 0.001 0.000 0.314 588 V C -0.307 175.845 176.094 0.096 0.000 1.064 588 V CA -1.042 61.209 62.300 -0.083 0.000 0.952 588 V CB 2.093 33.673 31.823 -0.405 0.000 1.020 588 V HN 0.742 nan 8.190 nan 0.000 0.439 589 M N 2.636 122.326 119.600 0.150 0.000 2.457 589 M HA 0.866 5.347 4.480 0.001 0.000 0.300 589 M C -0.366 175.926 176.300 -0.013 0.000 1.141 589 M CA -0.182 55.181 55.300 0.105 0.000 0.901 589 M CB 2.258 34.850 32.600 -0.013 0.000 1.687 589 M HN 1.219 nan 8.290 nan 0.000 0.449 590 G N 2.616 111.226 108.800 -0.317 0.000 2.718 590 G HA2 0.391 4.351 3.960 0.001 0.000 0.295 590 G HA3 0.391 4.351 3.960 0.001 0.000 0.295 590 G C -2.296 172.140 174.900 -0.774 0.000 1.421 590 G CA -0.715 43.780 45.100 -1.008 0.000 0.902 590 G HN 0.698 nan 8.290 nan 0.000 0.501 591 K N 0.999 120.898 120.400 -0.835 0.000 2.234 591 K HA 0.490 4.811 4.320 0.001 0.000 0.277 591 K C -1.024 175.158 176.600 -0.697 0.000 1.038 591 K CA -0.643 55.169 56.287 -0.791 0.000 0.888 591 K CB 0.563 32.590 32.500 -0.790 0.000 1.091 591 K HN 0.257 nan 8.250 nan 0.000 0.467 592 F N 3.520 123.259 119.950 -0.351 0.000 2.406 592 F HA 0.184 4.712 4.527 0.001 0.000 0.358 592 F C 0.026 175.735 175.800 -0.152 0.000 1.161 592 F CA -0.413 57.463 58.000 -0.206 0.000 1.185 592 F CB 0.654 39.610 39.000 -0.074 0.000 1.421 592 F HN 0.539 nan 8.300 nan 0.000 0.576 593 D N 0.514 120.854 120.400 -0.099 0.000 2.780 593 D HA 0.558 5.198 4.640 0.001 0.000 0.242 593 D C 0.485 176.715 176.300 -0.116 0.000 1.135 593 D CA 0.123 54.055 54.000 -0.114 0.000 0.859 593 D CB 1.727 42.426 40.800 -0.169 0.000 1.530 593 D HN 0.549 nan 8.370 nan 0.000 0.493 594 G N 1.337 110.056 108.800 -0.134 0.000 2.157 594 G HA2 0.244 4.205 3.960 0.001 0.000 0.248 594 G HA3 0.244 4.205 3.960 0.001 0.000 0.248 594 G C 0.277 175.073 174.900 -0.173 0.000 0.979 594 G CA 0.183 45.211 45.100 -0.120 0.000 0.650 594 G HN 1.206 nan 8.290 nan 0.000 0.529 595 A N -1.899 120.723 122.820 -0.331 0.000 2.490 595 A HA 0.775 5.095 4.320 0.001 0.000 0.292 595 A C -1.331 176.021 177.584 -0.386 0.000 1.047 595 A CA -0.496 51.354 52.037 -0.311 0.000 0.632 595 A CB 0.580 19.596 19.000 0.026 0.000 1.323 595 A HN 1.277 nan 8.150 nan 0.000 0.448 596 Y N -0.733 119.744 120.300 0.296 0.000 2.638 596 Y HA 0.837 5.388 4.550 0.001 0.000 0.339 596 Y C 0.872 176.931 175.900 0.265 0.000 1.084 596 Y CA 0.044 58.319 58.100 0.292 0.000 1.068 596 Y CB 2.033 40.579 38.460 0.143 0.000 1.294 596 Y HN 2.217 nan 8.280 nan 0.000 0.480 597 G N 0.677 109.668 108.800 0.319 0.000 2.298 597 G HA2 0.063 4.023 3.960 0.001 0.000 0.309 597 G HA3 0.063 4.023 3.960 0.001 0.000 0.309 597 G C -1.767 172.948 174.900 -0.309 0.000 1.279 597 G CA -1.289 43.732 45.100 -0.131 0.000 1.042 597 G HN 0.642 nan 8.290 nan 0.000 0.480 598 R N -0.533 119.609 120.500 -0.596 0.000 2.346 598 R HA 0.758 5.099 4.340 0.001 0.000 0.311 598 R C -0.952 174.925 176.300 -0.705 0.000 0.983 598 R CA -0.355 55.427 56.100 -0.530 0.000 0.880 598 R CB 0.489 30.423 30.300 -0.611 0.000 1.100 598 R HN 0.358 nan 8.270 nan 0.000 0.453 599 F N 1.902 121.665 119.950 -0.312 0.000 2.706 599 F HA 0.553 5.081 4.527 0.001 0.000 0.328 599 F C -0.132 175.476 175.800 -0.321 0.000 1.123 599 F CA -0.977 56.782 58.000 -0.403 0.000 0.978 599 F CB 1.597 40.065 39.000 -0.887 0.000 1.404 599 F HN 0.124 nan 8.300 nan 0.000 0.497 600 M N 1.254 120.745 119.600 -0.182 0.000 2.602 600 M HA 0.425 4.905 4.480 0.001 0.000 0.312 600 M C -1.361 175.134 176.300 0.325 0.000 1.181 600 M CA -0.718 54.516 55.300 -0.111 0.000 0.910 600 M CB 2.162 34.399 32.600 -0.605 0.000 1.723 600 M HN 0.697 nan 8.290 nan 0.000 0.459 601 Y N -0.323 120.256 120.300 0.464 0.000 2.553 601 Y HA 0.825 5.376 4.550 0.001 0.000 0.347 601 Y C -0.976 175.177 175.900 0.421 0.000 1.019 601 Y CA -0.890 57.469 58.100 0.432 0.000 1.032 601 Y CB 1.451 40.284 38.460 0.623 0.000 1.284 601 Y HN 0.900 nan 8.280 nan 0.000 0.466 602 H N -0.272 118.998 119.070 0.334 0.000 2.876 602 H HA 0.435 4.992 4.556 0.001 0.000 0.284 602 H C -1.692 173.775 175.328 0.231 0.000 1.445 602 H CA -1.484 54.663 56.048 0.166 0.000 1.141 602 H CB 0.543 30.339 29.762 0.056 0.000 1.816 602 H HN 1.084 nan 8.280 nan 0.000 0.511 603 C N 1.186 120.642 119.300 0.259 0.000 2.605 603 C HA 0.206 4.667 4.460 0.001 0.000 0.404 603 C C 1.103 176.292 174.990 0.331 0.000 1.284 603 C CA -0.096 59.066 59.018 0.238 0.000 2.199 603 C CB -0.439 27.449 27.740 0.245 0.000 2.647 603 C HN 0.978 nan 8.230 nan 0.000 0.604 604 H N 3.938 123.132 119.070 0.206 0.000 2.520 604 H HA 0.281 4.838 4.556 0.001 0.000 0.284 604 H C 0.039 175.436 175.328 0.116 0.000 1.037 604 H CA 0.170 56.347 56.048 0.216 0.000 1.168 604 H CB 0.075 29.951 29.762 0.191 0.000 1.497 604 H HN 0.582 nan 8.280 nan 0.000 0.547 605 L N 2.300 123.617 121.223 0.157 0.000 2.385 605 L HA 0.028 4.368 4.340 0.001 0.000 0.281 605 L C 1.606 178.417 176.870 -0.099 0.000 1.106 605 L CA -0.187 54.640 54.840 -0.023 0.000 0.856 605 L CB 0.927 42.878 42.059 -0.181 0.000 1.186 605 L HN 0.155 nan 8.230 nan 0.000 0.453 606 L N 1.972 123.107 121.223 -0.147 0.000 2.079 606 L HA -0.224 4.116 4.340 0.001 0.000 0.210 606 L C 2.078 178.803 176.870 -0.242 0.000 1.081 606 L CA 1.280 55.983 54.840 -0.229 0.000 0.752 606 L CB -0.221 41.687 42.059 -0.251 0.000 0.896 606 L HN 0.674 nan 8.230 nan 0.000 0.433 607 E N -0.606 119.458 120.200 -0.225 0.000 2.077 607 E HA -0.189 4.162 4.350 0.001 0.000 0.193 607 E C 2.037 178.594 176.600 -0.071 0.000 0.989 607 E CA 1.236 57.522 56.400 -0.190 0.000 0.800 607 E CB -0.245 29.371 29.700 -0.141 0.000 0.746 607 E HN 0.573 nan 8.360 nan 0.000 0.452 608 H N -0.471 118.553 119.070 -0.077 0.000 2.389 608 H HA -0.031 4.526 4.556 0.001 0.000 0.299 608 H C 2.068 177.340 175.328 -0.093 0.000 1.081 608 H CA 0.911 56.928 56.048 -0.051 0.000 1.345 608 H CB 0.216 30.017 29.762 0.065 0.000 1.393 608 H HN 0.192 nan 8.280 nan 0.000 0.520 609 E N 0.989 121.191 120.200 0.005 0.000 2.051 609 E HA -0.194 4.156 4.350 0.001 0.000 0.192 609 E C 1.210 177.682 176.600 -0.214 0.000 0.991 609 E CA 1.315 57.645 56.400 -0.117 0.000 0.799 609 E CB 0.120 29.696 29.700 -0.207 0.000 0.748 609 E HN 0.404 nan 8.360 nan 0.000 0.449 610 D N -0.218 120.040 120.400 -0.237 0.000 2.310 610 D HA -0.083 4.558 4.640 0.001 0.000 0.212 610 D C 0.799 176.983 176.300 -0.193 0.000 0.965 610 D CA 0.849 54.696 54.000 -0.254 0.000 0.879 610 D CB 0.076 40.679 40.800 -0.327 0.000 0.921 610 D HN 0.246 nan 8.370 nan 0.000 0.510 611 M N -0.904 118.593 119.600 -0.172 0.000 2.989 611 M HA 0.253 4.733 4.480 0.001 0.000 0.307 611 M C 0.745 176.977 176.300 -0.114 0.000 1.224 611 M CA -0.177 55.011 55.300 -0.187 0.000 0.984 611 M CB 0.994 33.376 32.600 -0.363 0.000 1.264 611 M HN 0.075 nan 8.290 nan 0.000 0.525 612 G N 0.809 109.564 108.800 -0.075 0.000 2.195 612 G HA2 -0.285 3.676 3.960 0.001 0.000 0.246 612 G HA3 -0.285 3.676 3.960 0.001 0.000 0.246 612 G C 0.342 175.260 174.900 0.031 0.000 0.984 612 G CA -0.155 44.951 45.100 0.010 0.000 0.633 612 G HN 0.517 nan 8.290 nan 0.000 0.525 613 M N 0.903 120.501 119.600 -0.002 0.000 3.596 613 M HA 0.699 5.179 4.480 0.001 0.000 0.219 613 M C 0.105 176.431 176.300 0.042 0.000 1.471 613 M CA 0.409 55.724 55.300 0.025 0.000 1.644 613 M CB -0.278 32.337 32.600 0.025 0.000 1.083 613 M HN 0.402 nan 8.290 nan 0.000 0.579 614 M N 1.277 120.899 119.600 0.036 0.000 2.426 614 M HA 0.476 4.957 4.480 0.001 0.000 0.289 614 M C -1.851 174.521 176.300 0.120 0.000 1.168 614 M CA -0.666 54.655 55.300 0.035 0.000 0.933 614 M CB 1.710 34.218 32.600 -0.152 0.000 1.750 614 M HN 0.217 nan 8.290 nan 0.000 0.494 615 R N 3.253 123.681 120.500 -0.120 0.000 2.725 615 R HA 0.700 5.041 4.340 0.001 0.000 0.277 615 R C -2.936 173.382 176.300 0.030 0.000 0.987 615 R CA -1.577 54.404 56.100 -0.198 0.000 0.901 615 R CB 2.290 32.188 30.300 -0.670 0.000 1.207 615 R HN 0.410 nan 8.270 nan 0.000 0.463 616 P HA 0.416 nan 4.420 nan 0.000 0.279 616 P C -1.003 176.548 177.300 0.418 0.000 1.252 616 P CA -0.267 62.995 63.100 0.270 0.000 0.811 616 P CB 0.690 32.482 31.700 0.154 0.000 1.035 617 F N -0.966 119.206 119.950 0.370 0.000 2.643 617 F HA 0.752 5.280 4.527 0.001 0.000 0.314 617 F C -1.753 174.256 175.800 0.347 0.000 1.096 617 F CA -1.427 56.801 58.000 0.380 0.000 0.953 617 F CB 0.927 40.271 39.000 0.573 0.000 1.345 617 F HN 0.021 nan 8.300 nan 0.000 0.468 618 V N 2.034 122.211 119.914 0.437 0.000 2.656 618 V HA 0.664 4.785 4.120 0.001 0.000 0.307 618 V C -1.026 175.301 176.094 0.388 0.000 1.051 618 V CA -0.844 61.620 62.300 0.274 0.000 0.893 618 V CB 1.875 33.786 31.823 0.147 0.000 0.999 618 V HN 0.777 nan 8.190 nan 0.000 0.426 619 V N 5.875 126.039 119.914 0.417 0.000 2.407 619 V HA 0.579 4.700 4.120 0.001 0.000 0.291 619 V C -0.179 176.165 176.094 0.415 0.000 1.018 619 V CA -0.238 62.314 62.300 0.420 0.000 0.842 619 V CB 1.520 33.639 31.823 0.494 0.000 0.996 619 V HN 0.852 nan 8.190 nan 0.000 0.426 620 M N 5.657 125.457 119.600 0.333 0.000 2.690 620 M HA 0.562 5.043 4.480 0.001 0.000 0.302 620 M C -2.753 173.702 176.300 0.258 0.000 1.234 620 M CA -2.037 53.415 55.300 0.254 0.000 0.853 620 M CB 3.132 35.800 32.600 0.113 0.000 1.748 620 M HN 0.297 nan 8.290 nan 0.000 0.469 621 P HA 0.056 nan 4.420 nan 0.000 0.265 621 P C -2.258 175.101 177.300 0.098 0.000 1.193 621 P CA -0.732 62.426 63.100 0.097 0.000 0.765 621 P CB -0.131 31.508 31.700 -0.102 0.000 0.823 622 P HA -0.206 nan 4.420 nan 0.000 0.216 622 P C 0.969 178.298 177.300 0.048 0.000 1.150 622 P CA 1.586 64.731 63.100 0.075 0.000 0.843 622 P CB -0.055 31.688 31.700 0.071 0.000 0.787 623 E N -0.627 119.607 120.200 0.057 0.000 2.268 623 E HA -0.061 4.290 4.350 0.001 0.000 0.195 623 E C 2.004 178.678 176.600 0.122 0.000 0.995 623 E CA 1.280 57.718 56.400 0.064 0.000 0.836 623 E CB -0.846 28.901 29.700 0.077 0.000 0.763 623 E HN 0.229 nan 8.360 nan 0.000 0.491 624 A N 0.080 122.970 122.820 0.116 0.000 2.081 624 A HA 0.063 4.384 4.320 0.001 0.000 0.214 624 A C 1.913 179.596 177.584 0.165 0.000 1.158 624 A CA 0.081 52.237 52.037 0.199 0.000 0.724 624 A CB -0.245 18.800 19.000 0.076 0.000 0.826 624 A HN 0.203 nan 8.150 nan 0.000 0.463 625 L N 0.477 121.744 121.223 0.073 0.000 2.081 625 L HA -0.196 4.145 4.340 0.001 0.000 0.212 625 L C 2.154 178.997 176.870 -0.045 0.000 1.080 625 L CA 1.910 56.770 54.840 0.033 0.000 0.754 625 L CB -0.346 41.731 42.059 0.030 0.000 0.893 625 L HN 0.336 nan 8.230 nan 0.000 0.433 626 K N -1.356 118.948 120.400 -0.161 0.000 2.360 626 K HA -0.152 4.169 4.320 0.001 0.000 0.201 626 K C 1.137 177.388 176.600 -0.583 0.000 1.046 626 K CA 1.168 57.214 56.287 -0.402 0.000 0.940 626 K CB -0.252 31.909 32.500 -0.566 0.000 0.748 626 K HN 0.300 nan 8.250 nan 0.000 0.465 627 F N 0.837 120.786 119.950 -0.001 0.000 2.639 627 F HA 0.144 4.671 4.527 0.001 0.000 0.300 627 F C 0.033 175.831 175.800 -0.003 0.000 1.109 627 F CA -0.578 57.419 58.000 -0.005 0.000 1.335 627 F CB -0.292 38.701 39.000 -0.011 0.000 1.014 627 F HN 0.020 nan 8.300 nan 0.000 0.537 628 D N 0.000 120.446 120.400 0.076 0.000 6.856 628 D HA 0.000 4.641 4.640 0.001 0.000 0.175 628 D CA 0.000 54.031 54.000 0.051 0.000 0.868 628 D CB 0.000 40.829 40.800 0.048 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683