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 1h9x_1_A DATA FIRST_RESID 42 DATA SEQUENCE APEGVSALSD AQYNEANKIY FERCAGCHGV LRKGATGKAL TPDLTRDLGF DATA SEQUENCE DYLQSFITYG SPAGMPNWGT SGELSAEQVD LMANYLLLDP AAPPEFGMKE DATA SEQUENCE MRESWKVHVA PEDRPTQQEN DWDLENLFSV TLRDAGQIAL IDGATYEIKS DATA SEQUENCE VLDTGYAVHI SRLSASGRYL FVIGRDGKVN MIDLWMKEPT TVAEIKIGSE DATA SEQUENCE ARSIETSKME GWEDKYAIAG AYWPPQYVIM DGETLEPKKI QSTRGMTYDE DATA SEQUENCE QEYHPEPRVA AILASHYRPE FIVNVKETGK ILLVDYTDLD NLKTTEISAE DATA SEQUENCE RFLHDGGLDG SHRYFITAAN ARNKLVVIDT KEGKLVAIED TGGQTPHPGR DATA SEQUENCE GANFVHPTFG PVWATSHMGD DSVALIGTDP EGHPDNAWKI LDSFPALGGG DATA SEQUENCE SLFIKTHPNS QYLYVDATLN PEAEISGSVA VFDIKAMTGD GSDPEFKTLP DATA SEQUENCE IAEWAGITEG QPRVVQGEFN KDGTEVWFSV WNGKDQESAL VVVDDKTLEL DATA SEQUENCE KHVIKDERLV TPTGKFNVYN TMTDTY 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 42 A HA 0.000 nan 4.320 nan 0.000 0.244 42 A C 0.000 177.585 177.584 0.002 0.000 1.274 42 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 42 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 43 P HA 0.361 nan 4.420 nan 0.000 0.271 43 P C -0.120 177.183 177.300 0.005 0.000 1.216 43 P CA -0.009 63.092 63.100 0.003 0.000 0.771 43 P CB 0.485 32.184 31.700 -0.002 0.000 0.864 44 E N 0.579 120.787 120.200 0.013 0.000 2.508 44 E HA 0.150 4.500 4.350 -0.000 0.000 0.266 44 E C 0.801 177.405 176.600 0.006 0.000 1.010 44 E CA 0.205 56.614 56.400 0.015 0.000 0.955 44 E CB 0.283 30.004 29.700 0.035 0.000 0.946 44 E HN 0.601 nan 8.360 nan 0.000 0.454 45 G N 1.353 110.149 108.800 -0.006 0.000 2.360 45 G HA2 0.266 4.226 3.960 -0.000 0.000 0.279 45 G HA3 0.266 4.226 3.960 -0.000 0.000 0.279 45 G C -0.238 174.646 174.900 -0.026 0.000 1.189 45 G CA -0.587 44.503 45.100 -0.018 0.000 0.941 45 G HN 0.260 nan 8.290 nan 0.000 0.445 46 V N 3.613 123.518 119.914 -0.014 0.000 2.353 46 V HA 0.116 4.236 4.120 -0.000 0.000 0.264 46 V C 0.804 176.887 176.094 -0.018 0.000 1.049 46 V CA -0.576 61.720 62.300 -0.006 0.000 0.896 46 V CB 0.259 32.089 31.823 0.011 0.000 1.025 46 V HN 0.804 nan 8.190 nan 0.000 0.475 47 S N 3.768 119.445 115.700 -0.038 0.000 2.549 47 S HA 0.203 4.673 4.470 -0.000 0.000 0.278 47 S C 1.516 176.112 174.600 -0.005 0.000 1.344 47 S CA 0.131 58.309 58.200 -0.038 0.000 1.025 47 S CB 0.795 63.952 63.200 -0.072 0.000 0.851 47 S HN 0.968 nan 8.310 nan 0.000 0.530 48 A N 1.575 124.392 122.820 -0.005 0.000 1.848 48 A HA 0.241 4.561 4.320 -0.000 0.000 0.211 48 A C 0.423 178.028 177.584 0.035 0.000 1.225 48 A CA 0.995 53.035 52.037 0.006 0.000 0.637 48 A CB -0.871 18.130 19.000 0.002 0.000 0.867 48 A HN 1.018 nan 8.150 nan 0.000 0.463 49 L N -1.288 119.965 121.223 0.051 0.000 1.837 49 L HA -0.075 4.265 4.340 -0.000 0.000 0.568 49 L C 0.503 177.425 176.870 0.086 0.000 0.999 49 L CA 0.741 55.639 54.840 0.097 0.000 1.225 49 L CB -2.004 40.162 42.059 0.180 0.000 2.014 49 L HN 0.972 nan 8.230 nan 0.000 1.049 50 S N 1.278 117.026 115.700 0.081 0.000 2.596 50 S HA 0.330 4.800 4.470 -0.000 0.000 0.260 50 S C 1.000 175.664 174.600 0.107 0.000 1.336 50 S CA 0.053 58.295 58.200 0.070 0.000 0.993 50 S CB 0.780 64.014 63.200 0.057 0.000 0.923 50 S HN 0.595 nan 8.310 nan 0.000 0.567 51 D N 1.327 121.779 120.400 0.086 0.000 2.117 51 D HA -0.055 4.585 4.640 -0.000 0.000 0.197 51 D C 2.245 178.632 176.300 0.145 0.000 0.987 51 D CA 1.866 55.934 54.000 0.113 0.000 0.829 51 D CB -0.963 39.881 40.800 0.073 0.000 0.961 51 D HN 0.697 nan 8.370 nan 0.000 0.460 52 A N 0.805 123.685 122.820 0.100 0.000 1.877 52 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 52 A C 2.150 179.788 177.584 0.089 0.000 1.186 52 A CA 1.551 53.638 52.037 0.084 0.000 0.620 52 A CB -0.669 18.366 19.000 0.058 0.000 0.822 52 A HN 0.220 nan 8.150 nan 0.000 0.443 53 Q N -2.074 117.785 119.800 0.098 0.000 2.050 53 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 53 Q C 2.047 178.113 176.000 0.111 0.000 0.980 53 Q CA 1.905 57.762 55.803 0.090 0.000 0.840 53 Q CB -0.364 28.433 28.738 0.099 0.000 0.898 53 Q HN 0.815 nan 8.270 nan 0.000 0.424 54 Y N 1.795 122.140 120.300 0.075 0.000 2.181 54 Y HA -0.230 4.320 4.550 -0.000 0.000 0.288 54 Y C 1.844 177.809 175.900 0.109 0.000 1.146 54 Y CA 1.469 59.642 58.100 0.122 0.000 1.164 54 Y CB -0.046 38.485 38.460 0.119 0.000 0.982 54 Y HN 0.137 nan 8.280 nan 0.000 0.515 55 N N 0.425 119.222 118.700 0.162 0.000 2.120 55 N HA -0.202 4.538 4.740 -0.000 0.000 0.188 55 N C 1.881 177.383 175.510 -0.014 0.000 1.024 55 N CA 1.595 54.699 53.050 0.091 0.000 0.852 55 N CB -0.503 38.055 38.487 0.118 0.000 1.003 55 N HN 0.602 nan 8.380 nan 0.000 0.424 56 E N 0.669 120.853 120.200 -0.026 0.000 2.051 56 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 56 E C 1.811 178.312 176.600 -0.165 0.000 0.991 56 E CA 1.076 57.440 56.400 -0.060 0.000 0.799 56 E CB -0.030 29.652 29.700 -0.030 0.000 0.748 56 E HN 0.298 nan 8.360 nan 0.000 0.449 57 A N 1.110 123.775 122.820 -0.258 0.000 1.902 57 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 57 A C 2.026 179.132 177.584 -0.796 0.000 1.181 57 A CA 1.831 53.563 52.037 -0.507 0.000 0.623 57 A CB -0.845 17.847 19.000 -0.513 0.000 0.818 57 A HN 0.302 nan 8.150 nan 0.000 0.443 58 N N -0.218 118.081 118.700 -0.668 0.000 2.120 58 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 58 N C 1.720 177.187 175.510 -0.071 0.000 1.024 58 N CA 1.832 54.648 53.050 -0.390 0.000 0.852 58 N CB -0.277 38.170 38.487 -0.066 0.000 1.003 58 N HN 0.586 nan 8.380 nan 0.000 0.424 59 K N 0.252 120.631 120.400 -0.035 0.000 2.026 59 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 59 K C 1.993 178.585 176.600 -0.014 0.000 1.048 59 K CA 1.175 57.496 56.287 0.057 0.000 0.929 59 K CB -0.204 32.315 32.500 0.032 0.000 0.713 59 K HN 0.186 nan 8.250 nan 0.000 0.439 60 I N 0.257 120.741 120.570 -0.144 0.000 2.163 60 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 60 I C 2.340 178.290 176.117 -0.278 0.000 1.085 60 I CA 1.427 62.600 61.300 -0.211 0.000 1.347 60 I CB -0.444 37.390 38.000 -0.277 0.000 1.044 60 I HN 0.245 nan 8.210 nan 0.000 0.408 61 Y N 1.269 121.280 120.300 -0.482 0.000 2.053 61 Y HA -0.337 4.213 4.550 -0.000 0.000 0.277 61 Y C 2.272 177.928 175.900 -0.406 0.000 1.159 61 Y CA 1.909 59.686 58.100 -0.539 0.000 1.125 61 Y CB -0.535 37.466 38.460 -0.764 0.000 0.969 61 Y HN -0.009 nan 8.280 nan 0.000 0.492 62 F N 0.329 120.272 119.950 -0.012 0.000 2.234 62 F HA -0.094 4.433 4.527 -0.000 0.000 0.299 62 F C 2.562 178.330 175.800 -0.053 0.000 1.087 62 F CA 1.707 59.707 58.000 0.000 0.000 1.340 62 F CB -0.619 38.475 39.000 0.157 0.000 1.031 62 F HN 0.223 nan 8.300 nan 0.000 0.500 63 E N 0.467 120.719 120.200 0.088 0.000 2.122 63 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 63 E C 1.784 178.375 176.600 -0.015 0.000 0.977 63 E CA 0.783 57.223 56.400 0.066 0.000 0.820 63 E CB 0.176 29.929 29.700 0.089 0.000 0.770 63 E HN 0.327 nan 8.360 nan 0.000 0.462 64 R N -1.061 119.360 120.500 -0.132 0.000 2.487 64 R HA 0.242 4.582 4.340 -0.000 0.000 0.272 64 R C 1.528 177.719 176.300 -0.181 0.000 0.928 64 R CA 0.192 56.221 56.100 -0.119 0.000 1.077 64 R CB 0.381 30.533 30.300 -0.247 0.000 1.265 64 R HN 0.180 nan 8.270 nan 0.000 0.537 65 C N 0.182 119.246 119.300 -0.394 0.000 2.800 65 C HA 0.394 4.854 4.460 -0.000 0.000 0.379 65 C C 2.607 177.380 174.990 -0.361 0.000 1.304 65 C CA 0.326 59.126 59.018 -0.363 0.000 1.960 65 C CB 0.412 27.776 27.740 -0.626 0.000 2.599 65 C HN 0.510 nan 8.230 nan 0.000 0.578 66 A N 1.576 124.041 122.820 -0.591 0.000 2.019 66 A HA 0.115 4.435 4.320 -0.000 0.000 0.219 66 A C 2.272 179.840 177.584 -0.027 0.000 1.164 66 A CA 1.930 53.798 52.037 -0.281 0.000 0.644 66 A CB -1.072 17.871 19.000 -0.094 0.000 0.805 66 A HN 0.567 nan 8.150 nan 0.000 0.449 67 G N -1.314 107.471 108.800 -0.025 0.000 2.450 67 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 67 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 67 G C 1.323 176.226 174.900 0.005 0.000 1.130 67 G CA 1.517 46.624 45.100 0.013 0.000 0.760 67 G HN 0.549 nan 8.290 nan 0.000 0.557 68 C N -1.595 117.688 119.300 -0.028 0.000 2.964 68 C HA 0.348 4.808 4.460 -0.000 0.000 0.358 68 C C 1.893 176.771 174.990 -0.186 0.000 1.289 68 C CA -0.277 58.673 59.018 -0.114 0.000 1.856 68 C CB -0.385 27.231 27.740 -0.206 0.000 2.488 68 C HN 0.472 nan 8.230 nan 0.000 0.604 69 H N 0.807 119.914 119.070 0.061 0.000 2.575 69 H HA 0.306 4.862 4.556 -0.000 0.000 0.267 69 H C 1.265 176.687 175.328 0.157 0.000 0.966 69 H CA 1.306 57.425 56.048 0.118 0.000 1.165 69 H CB 0.339 30.200 29.762 0.165 0.000 1.433 69 H HN 0.536 nan 8.280 nan 0.000 0.544 70 G N 0.263 109.197 108.800 0.222 0.000 2.785 70 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.686 70 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.686 70 G C 0.661 175.734 174.900 0.289 0.000 1.155 70 G CA -0.112 45.120 45.100 0.219 0.000 0.760 70 G HN 0.137 nan 8.290 nan 0.000 0.624 71 V N 1.877 121.931 119.914 0.234 0.000 2.759 71 V HA -0.002 4.118 4.120 -0.000 0.000 0.256 71 V C 2.324 178.578 176.094 0.267 0.000 1.080 71 V CA 2.345 64.831 62.300 0.310 0.000 1.101 71 V CB -0.302 31.502 31.823 -0.032 0.000 0.698 71 V HN 0.537 nan 8.190 nan 0.000 0.477 72 L N -0.505 120.783 121.223 0.108 0.000 2.769 72 L HA 0.342 4.682 4.340 -0.000 0.000 0.240 72 L C 0.978 177.872 176.870 0.040 0.000 1.163 72 L CA -0.070 54.795 54.840 0.042 0.000 0.962 72 L CB 0.041 42.089 42.059 -0.019 0.000 1.258 72 L HN 0.246 nan 8.230 nan 0.000 0.513 73 R N -0.293 120.277 120.500 0.117 0.000 3.770 73 R HA -0.197 4.143 4.340 -0.000 0.000 0.305 73 R C 0.541 176.898 176.300 0.096 0.000 1.184 73 R CA 0.675 56.842 56.100 0.113 0.000 0.823 73 R CB -1.977 28.279 30.300 -0.073 0.000 1.285 73 R HN 0.399 nan 8.270 nan 0.000 0.499 74 K N 0.919 121.380 120.400 0.101 0.000 2.404 74 K HA 0.181 4.501 4.320 -0.000 0.000 0.194 74 K C 0.917 177.582 176.600 0.108 0.000 1.023 74 K CA 0.632 56.968 56.287 0.082 0.000 1.094 74 K CB 0.923 33.460 32.500 0.062 0.000 0.841 74 K HN 0.511 nan 8.250 nan 0.000 0.523 75 G N 0.306 109.200 108.800 0.157 0.000 2.663 75 G HA2 0.044 4.004 3.960 -0.000 0.000 0.686 75 G HA3 0.044 4.004 3.960 -0.000 0.000 0.686 75 G C -0.344 174.627 174.900 0.119 0.000 1.246 75 G CA -0.536 44.658 45.100 0.156 0.000 0.795 75 G HN 0.247 nan 8.290 nan 0.000 0.627 76 A N -0.534 122.335 122.820 0.080 0.000 1.893 76 A HA 0.840 5.160 4.320 -0.000 0.000 0.175 76 A C 2.148 179.764 177.584 0.053 0.000 1.480 76 A CA 1.265 53.352 52.037 0.082 0.000 2.061 76 A CB -0.633 18.420 19.000 0.089 0.000 2.260 76 A HN 2.378 nan 8.150 nan 0.000 1.021 77 T N -1.194 113.372 114.554 0.019 0.000 3.014 77 T HA 0.360 4.710 4.350 -0.000 0.000 0.263 77 T C 1.049 175.737 174.700 -0.021 0.000 1.078 77 T CA 1.063 63.182 62.100 0.030 0.000 1.135 77 T CB -0.534 68.364 68.868 0.049 0.000 0.895 77 T HN 1.061 nan 8.240 nan 0.000 0.480 78 G N 0.868 109.579 108.800 -0.150 0.000 2.451 78 G HA2 0.521 4.481 3.960 -0.000 0.000 0.303 78 G HA3 0.521 4.481 3.960 -0.000 0.000 0.303 78 G C -0.627 174.286 174.900 0.021 0.000 1.166 78 G CA -0.982 43.958 45.100 -0.267 0.000 0.884 78 G HN 0.329 nan 8.290 nan 0.000 0.514 79 K N 0.105 120.625 120.400 0.201 0.000 2.336 79 K HA 0.358 4.678 4.320 -0.000 0.000 0.262 79 K C 0.780 177.546 176.600 0.277 0.000 0.992 79 K CA -0.037 56.370 56.287 0.200 0.000 0.927 79 K CB 0.677 33.259 32.500 0.136 0.000 0.956 79 K HN 0.569 nan 8.250 nan 0.000 0.495 80 A N 2.283 125.190 122.820 0.146 0.000 2.498 80 A HA 0.117 4.437 4.320 -0.000 0.000 0.239 80 A C 0.303 177.920 177.584 0.056 0.000 1.068 80 A CA 0.104 52.207 52.037 0.109 0.000 0.766 80 A CB -0.153 18.879 19.000 0.054 0.000 1.003 80 A HN 0.707 nan 8.150 nan 0.000 0.497 81 L N 2.644 123.879 121.223 0.020 0.000 3.288 81 L HA 0.148 4.488 4.340 -0.000 0.000 0.293 81 L C 0.602 177.422 176.870 -0.082 0.000 1.294 81 L CA -0.267 54.537 54.840 -0.060 0.000 1.006 81 L CB -0.122 41.860 42.059 -0.128 0.000 1.407 81 L HN 0.877 nan 8.230 nan 0.000 0.592 82 T N -2.949 111.570 114.554 -0.058 0.000 2.898 82 T HA 0.155 4.505 4.350 -0.000 0.000 0.301 82 T C -1.450 173.203 174.700 -0.078 0.000 1.049 82 T CA -1.328 60.728 62.100 -0.074 0.000 1.095 82 T CB 0.875 69.716 68.868 -0.047 0.000 0.976 82 T HN -0.038 nan 8.240 nan 0.000 0.539 83 P HA -0.089 nan 4.420 nan 0.000 0.223 83 P C 1.147 178.411 177.300 -0.059 0.000 1.151 83 P CA 0.965 64.020 63.100 -0.075 0.000 0.787 83 P CB 0.003 31.655 31.700 -0.081 0.000 0.788 84 D N 0.153 120.522 120.400 -0.052 0.000 2.218 84 D HA -0.148 4.492 4.640 -0.000 0.000 0.204 84 D C 1.936 178.205 176.300 -0.052 0.000 0.976 84 D CA 1.003 54.975 54.000 -0.045 0.000 0.853 84 D CB -0.969 39.808 40.800 -0.038 0.000 0.939 84 D HN 0.248 nan 8.370 nan 0.000 0.481 85 L N 0.398 121.586 121.223 -0.059 0.000 2.200 85 L HA -0.010 4.330 4.340 -0.000 0.000 0.200 85 L C 2.850 179.663 176.870 -0.094 0.000 1.072 85 L CA 1.304 56.099 54.840 -0.074 0.000 0.787 85 L CB -0.630 41.389 42.059 -0.067 0.000 0.957 85 L HN 0.141 nan 8.230 nan 0.000 0.459 86 T N -2.457 112.048 114.554 -0.081 0.000 2.904 86 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 86 T C 1.990 176.656 174.700 -0.055 0.000 1.059 86 T CA 0.747 62.802 62.100 -0.075 0.000 1.137 86 T CB -0.236 68.598 68.868 -0.058 0.000 0.879 86 T HN 0.162 nan 8.240 nan 0.000 0.467 87 R N 0.998 121.471 120.500 -0.045 0.000 2.120 87 R HA -0.028 4.312 4.340 -0.000 0.000 0.234 87 R C 2.423 178.703 176.300 -0.033 0.000 1.123 87 R CA 1.543 57.629 56.100 -0.024 0.000 0.975 87 R CB -0.300 29.986 30.300 -0.023 0.000 0.866 87 R HN 0.514 nan 8.270 nan 0.000 0.446 88 D N 0.470 120.833 120.400 -0.062 0.000 2.144 88 D HA -0.112 4.528 4.640 -0.000 0.000 0.200 88 D C 1.902 178.131 176.300 -0.120 0.000 0.978 88 D CA 0.995 54.949 54.000 -0.078 0.000 0.833 88 D CB 0.186 40.932 40.800 -0.089 0.000 0.961 88 D HN 0.192 nan 8.370 nan 0.000 0.470 89 L N 0.249 121.361 121.223 -0.186 0.000 2.027 89 L HA 0.019 4.359 4.340 -0.000 0.000 0.206 89 L C 1.400 178.206 176.870 -0.107 0.000 1.074 89 L CA 0.835 55.474 54.840 -0.336 0.000 0.745 89 L CB -0.635 41.105 42.059 -0.531 0.000 0.898 89 L HN 0.109 nan 8.230 nan 0.000 0.433 90 G N -1.574 107.223 108.800 -0.005 0.000 2.712 90 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.686 90 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.686 90 G C -0.038 174.970 174.900 0.180 0.000 1.321 90 G CA -0.084 45.075 45.100 0.099 0.000 0.813 90 G HN 0.112 nan 8.290 nan 0.000 0.599 91 F N 0.915 120.913 119.950 0.080 0.000 2.063 91 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 91 F C 2.337 178.216 175.800 0.131 0.000 1.109 91 F CA 2.868 60.924 58.000 0.093 0.000 1.212 91 F CB -0.055 38.984 39.000 0.066 0.000 0.973 91 F HN 0.523 nan 8.300 nan 0.000 0.480 92 D N -0.820 119.701 120.400 0.202 0.000 2.104 92 D HA -0.263 4.377 4.640 -0.000 0.000 0.194 92 D C 2.000 178.340 176.300 0.067 0.000 0.994 92 D CA 1.831 55.892 54.000 0.101 0.000 0.830 92 D CB -0.944 39.976 40.800 0.200 0.000 0.959 92 D HN 0.484 nan 8.370 nan 0.000 0.452 93 Y N 1.381 121.701 120.300 0.034 0.000 2.181 93 Y HA -0.146 4.404 4.550 -0.000 0.000 0.288 93 Y C 2.186 178.154 175.900 0.114 0.000 1.146 93 Y CA 1.268 59.432 58.100 0.106 0.000 1.164 93 Y CB -0.427 38.087 38.460 0.091 0.000 0.982 93 Y HN -0.085 nan 8.280 nan 0.000 0.515 94 L N 0.126 121.488 121.223 0.232 0.000 2.017 94 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 94 L C 2.720 179.565 176.870 -0.042 0.000 1.073 94 L CA 1.926 56.830 54.840 0.106 0.000 0.745 94 L CB -0.877 41.193 42.059 0.018 0.000 0.894 94 L HN 0.280 nan 8.230 nan 0.000 0.432 95 Q N -0.252 119.382 119.800 -0.277 0.000 2.096 95 Q HA -0.270 4.070 4.340 -0.000 0.000 0.204 95 Q C 2.389 178.321 176.000 -0.114 0.000 0.982 95 Q CA 2.262 57.881 55.803 -0.307 0.000 0.850 95 Q CB -0.086 28.308 28.738 -0.573 0.000 0.901 95 Q HN 0.402 nan 8.270 nan 0.000 0.422 96 S N -0.752 114.921 115.700 -0.045 0.000 2.356 96 S HA -0.130 4.340 4.470 -0.000 0.000 0.223 96 S C 1.610 176.209 174.600 -0.001 0.000 1.032 96 S CA 1.083 59.305 58.200 0.038 0.000 1.005 96 S CB -0.394 62.811 63.200 0.007 0.000 0.867 96 S HN 0.493 nan 8.310 nan 0.000 0.449 97 F N 1.493 121.377 119.950 -0.111 0.000 2.134 97 F HA 0.051 4.578 4.527 -0.000 0.000 0.299 97 F C 2.047 177.862 175.800 0.024 0.000 1.097 97 F CA 1.278 59.236 58.000 -0.069 0.000 1.264 97 F CB -0.276 38.650 39.000 -0.123 0.000 1.001 97 F HN 0.232 nan 8.300 nan 0.000 0.479 98 I N -1.231 119.445 120.570 0.176 0.000 2.439 98 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 98 I C 2.168 178.347 176.117 0.102 0.000 1.139 98 I CA 1.243 62.656 61.300 0.188 0.000 1.438 98 I CB -0.706 37.346 38.000 0.086 0.000 1.085 98 I HN 0.072 nan 8.210 nan 0.000 0.427 99 T N -0.118 114.387 114.554 -0.082 0.000 2.701 99 T HA -0.160 4.190 4.350 -0.000 0.000 0.263 99 T C 1.504 175.953 174.700 -0.419 0.000 1.040 99 T CA 1.681 63.589 62.100 -0.319 0.000 1.147 99 T CB -0.259 68.239 68.868 -0.616 0.000 0.865 99 T HN 0.266 nan 8.240 nan 0.000 0.426 100 Y N 0.758 121.002 120.300 -0.093 0.000 2.497 100 Y HA 0.421 4.971 4.550 -0.000 0.000 0.265 100 Y C 1.762 177.566 175.900 -0.161 0.000 1.111 100 Y CA -0.119 57.897 58.100 -0.140 0.000 1.288 100 Y CB -0.317 38.018 38.460 -0.207 0.000 1.082 100 Y HN 0.409 nan 8.280 nan 0.000 0.536 101 G N 0.685 109.474 108.800 -0.019 0.000 2.697 101 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.240 101 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.240 101 G C -0.317 174.537 174.900 -0.076 0.000 1.346 101 G CA -0.062 45.019 45.100 -0.032 0.000 0.887 101 G HN 0.616 nan 8.290 nan 0.000 0.569 102 S N -0.587 115.107 115.700 -0.010 0.000 2.541 102 S HA 0.759 5.229 4.470 -0.000 0.000 0.271 102 S C -1.826 172.785 174.600 0.018 0.000 1.133 102 S CA -0.038 58.167 58.200 0.008 0.000 0.876 102 S CB 2.285 65.590 63.200 0.174 0.000 1.105 102 S HN 0.633 nan 8.310 nan 0.000 0.470 103 P HA 0.147 nan 4.420 nan 0.000 0.230 103 P C 0.803 178.131 177.300 0.047 0.000 1.158 103 P CA 0.671 63.784 63.100 0.023 0.000 0.769 103 P CB -0.192 31.516 31.700 0.014 0.000 0.807 104 A N -0.350 122.509 122.820 0.066 0.000 2.259 104 A HA 0.462 4.782 4.320 -0.000 0.000 0.208 104 A C 1.575 179.210 177.584 0.085 0.000 1.201 104 A CA 0.675 52.758 52.037 0.077 0.000 0.824 104 A CB -1.107 17.944 19.000 0.085 0.000 0.838 104 A HN 0.278 nan 8.150 nan 0.000 0.485 105 G N -2.195 106.644 108.800 0.066 0.000 2.205 105 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.180 105 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.180 105 G C 0.024 174.920 174.900 -0.007 0.000 1.004 105 G CA 0.125 45.254 45.100 0.048 0.000 0.670 105 G HN 0.597 nan 8.290 nan 0.000 0.496 106 M N 2.341 121.951 119.600 0.017 0.000 2.084 106 M HA 0.625 5.105 4.480 -0.000 0.000 0.351 106 M C -2.387 173.816 176.300 -0.163 0.000 1.240 106 M CA -3.424 51.891 55.300 0.025 0.000 1.083 106 M CB 0.608 33.326 32.600 0.197 0.000 1.593 106 M HN -0.067 nan 8.290 nan 0.000 0.463 107 P HA 0.063 nan 4.420 nan 0.000 0.268 107 P C -0.910 175.987 177.300 -0.671 0.000 1.208 107 P CA 0.161 62.708 63.100 -0.921 0.000 0.777 107 P CB 0.198 30.769 31.700 -1.882 0.000 0.875 108 N N 2.126 120.525 118.700 -0.503 0.000 3.124 108 N HA -0.005 4.735 4.740 -0.000 0.000 0.284 108 N C 0.337 175.695 175.510 -0.255 0.000 1.209 108 N CA -0.336 52.558 53.050 -0.260 0.000 1.149 108 N CB -0.589 37.821 38.487 -0.128 0.000 1.434 108 N HN 0.475 nan 8.380 nan 0.000 0.529 109 W N 1.518 122.778 121.300 -0.066 0.000 2.318 109 W HA -0.073 4.587 4.660 -0.000 0.000 0.313 109 W C 2.281 178.766 176.519 -0.056 0.000 1.221 109 W CA 1.472 58.792 57.345 -0.042 0.000 1.266 109 W CB -0.470 28.967 29.460 -0.039 0.000 1.150 109 W HN 0.503 nan 8.180 nan 0.000 0.496 110 G N -1.453 107.405 108.800 0.097 0.000 2.404 110 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.213 110 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.213 110 G C 1.395 176.263 174.900 -0.054 0.000 1.189 110 G CA 1.422 46.516 45.100 -0.010 0.000 0.796 110 G HN 0.148 nan 8.290 nan 0.000 0.532 111 T N 1.026 115.511 114.554 -0.114 0.000 3.007 111 T HA -0.054 4.296 4.350 -0.000 0.000 0.270 111 T C 2.595 177.279 174.700 -0.025 0.000 1.107 111 T CA 1.582 63.637 62.100 -0.075 0.000 1.118 111 T CB -0.202 68.613 68.868 -0.089 0.000 0.889 111 T HN 0.459 nan 8.240 nan 0.000 0.506 112 S N -0.189 115.498 115.700 -0.021 0.000 2.548 112 S HA 0.327 4.797 4.470 -0.000 0.000 0.215 112 S C 1.842 176.460 174.600 0.030 0.000 0.976 112 S CA 0.619 58.819 58.200 -0.001 0.000 0.908 112 S CB -0.095 63.093 63.200 -0.020 0.000 0.781 112 S HN 0.585 nan 8.310 nan 0.000 0.519 113 G N 1.395 110.220 108.800 0.041 0.000 2.155 113 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 113 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 113 G C 0.749 175.710 174.900 0.102 0.000 0.983 113 G CA 0.555 45.690 45.100 0.058 0.000 0.676 113 G HN 0.472 nan 8.290 nan 0.000 0.528 114 E N -0.607 119.689 120.200 0.161 0.000 2.106 114 E HA 0.092 4.442 4.350 -0.000 0.000 0.192 114 E C 1.484 178.240 176.600 0.261 0.000 0.984 114 E CA 0.750 57.308 56.400 0.263 0.000 0.806 114 E CB 0.045 29.991 29.700 0.409 0.000 0.750 114 E HN 0.638 nan 8.360 nan 0.000 0.458 115 L N 1.014 122.385 121.223 0.246 0.000 2.346 115 L HA 0.218 4.558 4.340 -0.000 0.000 0.276 115 L C 0.555 177.473 176.870 0.080 0.000 1.006 115 L CA -0.727 54.191 54.840 0.130 0.000 0.817 115 L CB 1.895 44.011 42.059 0.095 0.000 1.272 115 L HN -0.063 nan 8.230 nan 0.000 0.421 116 S N 1.493 117.222 115.700 0.047 0.000 2.617 116 S HA 0.300 4.770 4.470 -0.000 0.000 0.259 116 S C 1.187 175.802 174.600 0.024 0.000 1.301 116 S CA 0.042 58.262 58.200 0.033 0.000 0.984 116 S CB 1.408 64.624 63.200 0.028 0.000 0.954 116 S HN 0.714 nan 8.310 nan 0.000 0.572 117 A N 0.312 123.144 122.820 0.020 0.000 1.908 117 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 117 A C 2.180 179.785 177.584 0.034 0.000 1.181 117 A CA 1.788 53.837 52.037 0.019 0.000 0.627 117 A CB -1.286 17.727 19.000 0.021 0.000 0.818 117 A HN 0.997 nan 8.150 nan 0.000 0.445 118 E N -0.508 119.714 120.200 0.035 0.000 2.077 118 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 118 E C 2.209 178.830 176.600 0.035 0.000 0.989 118 E CA 1.381 57.806 56.400 0.042 0.000 0.800 118 E CB -0.135 29.585 29.700 0.033 0.000 0.746 118 E HN 0.771 nan 8.360 nan 0.000 0.452 119 Q N -0.198 119.611 119.800 0.016 0.000 2.124 119 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 119 Q C 2.293 178.282 176.000 -0.018 0.000 0.977 119 Q CA 1.389 57.186 55.803 -0.011 0.000 0.850 119 Q CB 0.119 28.843 28.738 -0.024 0.000 0.901 119 Q HN 0.190 nan 8.270 nan 0.000 0.429 120 V N 1.505 121.418 119.914 -0.001 0.000 2.295 120 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 120 V C 1.481 177.583 176.094 0.014 0.000 1.049 120 V CA 2.067 64.361 62.300 -0.010 0.000 1.024 120 V CB -0.438 31.377 31.823 -0.012 0.000 0.648 120 V HN 0.355 nan 8.190 nan 0.000 0.447 121 D N -0.371 120.077 120.400 0.080 0.000 2.144 121 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 121 D C 2.119 178.551 176.300 0.220 0.000 0.978 121 D CA 0.825 54.956 54.000 0.219 0.000 0.833 121 D CB -0.306 40.665 40.800 0.285 0.000 0.961 121 D HN 0.271 nan 8.370 nan 0.000 0.470 122 L N 0.239 121.531 121.223 0.115 0.000 2.013 122 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 122 L C 2.094 179.010 176.870 0.077 0.000 1.073 122 L CA 1.206 56.097 54.840 0.085 0.000 0.753 122 L CB -0.158 41.913 42.059 0.018 0.000 0.890 122 L HN 0.065 nan 8.230 nan 0.000 0.432 123 M N -0.789 118.817 119.600 0.009 0.000 2.175 123 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 123 M C 2.468 178.813 176.300 0.074 0.000 1.063 123 M CA 1.705 56.999 55.300 -0.011 0.000 1.119 123 M CB -1.624 30.909 32.600 -0.113 0.000 1.377 123 M HN 0.297 nan 8.290 nan 0.000 0.415 124 A N 0.872 123.726 122.820 0.057 0.000 1.902 124 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 124 A C 2.091 179.801 177.584 0.209 0.000 1.181 124 A CA 1.716 53.776 52.037 0.037 0.000 0.623 124 A CB -0.716 18.125 19.000 -0.264 0.000 0.818 124 A HN 0.481 nan 8.150 nan 0.000 0.443 125 N N -1.375 117.514 118.700 0.315 0.000 2.142 125 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 125 N C 1.627 177.264 175.510 0.210 0.000 1.023 125 N CA 1.731 54.950 53.050 0.282 0.000 0.852 125 N CB -0.614 38.011 38.487 0.231 0.000 0.998 125 N HN 0.685 nan 8.380 nan 0.000 0.424 126 Y N 1.812 122.144 120.300 0.054 0.000 2.207 126 Y HA -0.059 4.491 4.550 -0.000 0.000 0.287 126 Y C 2.097 177.975 175.900 -0.037 0.000 1.156 126 Y CA 1.253 59.355 58.100 0.003 0.000 1.182 126 Y CB -0.355 38.037 38.460 -0.114 0.000 0.979 126 Y HN -0.017 nan 8.280 nan 0.000 0.521 127 L N -0.116 121.140 121.223 0.054 0.000 2.362 127 L HA -0.180 4.160 4.340 -0.000 0.000 0.219 127 L C 1.925 178.741 176.870 -0.090 0.000 1.134 127 L CA 0.694 55.488 54.840 -0.077 0.000 0.807 127 L CB -0.402 41.647 42.059 -0.016 0.000 0.927 127 L HN 0.333 nan 8.230 nan 0.000 0.447 128 L N -0.585 120.623 121.223 -0.024 0.000 2.492 128 L HA 0.037 4.377 4.340 -0.000 0.000 0.223 128 L C 0.838 177.674 176.870 -0.056 0.000 1.132 128 L CA 0.138 54.970 54.840 -0.014 0.000 0.850 128 L CB -0.084 42.007 42.059 0.053 0.000 0.966 128 L HN 0.178 nan 8.230 nan 0.000 0.454 129 L N -0.933 120.227 121.223 -0.104 0.000 2.416 129 L HA 0.274 4.614 4.340 -0.000 0.000 0.262 129 L C -0.212 176.548 176.870 -0.182 0.000 1.093 129 L CA -0.965 53.802 54.840 -0.121 0.000 0.801 129 L CB 0.554 42.567 42.059 -0.077 0.000 1.191 129 L HN -0.125 nan 8.230 nan 0.000 0.459 130 D N 1.012 121.328 120.400 -0.140 0.000 2.443 130 D HA 0.136 4.776 4.640 -0.000 0.000 0.239 130 D C -2.213 173.987 176.300 -0.166 0.000 1.136 130 D CA -0.441 53.481 54.000 -0.131 0.000 0.879 130 D CB 0.311 41.058 40.800 -0.089 0.000 1.195 130 D HN 0.218 nan 8.370 nan 0.000 0.443 131 P HA 0.127 nan 4.420 nan 0.000 0.262 131 P C -0.905 176.368 177.300 -0.045 0.000 1.182 131 P CA -0.039 62.963 63.100 -0.163 0.000 0.761 131 P CB 0.530 32.166 31.700 -0.108 0.000 0.795 132 A N 3.571 126.411 122.820 0.033 0.000 2.346 132 A HA 0.531 4.851 4.320 -0.000 0.000 0.252 132 A C 0.396 178.112 177.584 0.221 0.000 1.089 132 A CA -0.124 52.046 52.037 0.222 0.000 0.797 132 A CB -0.077 19.190 19.000 0.446 0.000 1.047 132 A HN 0.582 nan 8.150 nan 0.000 0.494 133 A N 1.850 124.768 122.820 0.164 0.000 2.454 133 A HA 0.540 4.860 4.320 -0.000 0.000 0.260 133 A C -2.326 175.254 177.584 -0.007 0.000 1.106 133 A CA -1.155 50.925 52.037 0.072 0.000 0.780 133 A CB -0.740 18.297 19.000 0.061 0.000 1.044 133 A HN 0.574 nan 8.150 nan 0.000 0.498 134 P HA 0.207 nan 4.420 nan 0.000 0.267 134 P C -2.306 174.882 177.300 -0.187 0.000 1.205 134 P CA -0.594 62.244 63.100 -0.437 0.000 0.765 134 P CB 0.178 31.434 31.700 -0.740 0.000 0.828 135 P HA 0.199 nan 4.420 nan 0.000 0.276 135 P C -0.174 177.281 177.300 0.259 0.000 1.252 135 P CA -0.226 62.863 63.100 -0.018 0.000 0.802 135 P CB 0.956 32.583 31.700 -0.122 0.000 1.035 136 E N -0.021 120.278 120.200 0.165 0.000 2.351 136 E HA 0.326 4.676 4.350 -0.000 0.000 0.255 136 E C -0.956 175.745 176.600 0.168 0.000 1.188 136 E CA -0.164 56.305 56.400 0.114 0.000 0.940 136 E CB 0.350 30.070 29.700 0.034 0.000 1.094 136 E HN 0.423 nan 8.360 nan 0.000 0.474 137 F N 0.170 120.088 119.950 -0.054 0.000 3.050 137 F HA 0.353 4.880 4.527 -0.000 0.000 0.382 137 F C 0.180 175.945 175.800 -0.058 0.000 1.246 137 F CA -0.324 57.657 58.000 -0.031 0.000 1.217 137 F CB 0.600 39.595 39.000 -0.008 0.000 1.795 137 F HN 0.426 nan 8.300 nan 0.000 0.622 138 G N 1.981 110.685 108.800 -0.160 0.000 2.543 138 G HA2 0.249 4.209 3.960 -0.000 0.000 0.267 138 G HA3 0.249 4.209 3.960 -0.000 0.000 0.267 138 G C 0.770 175.571 174.900 -0.166 0.000 1.406 138 G CA -0.442 44.582 45.100 -0.127 0.000 1.048 138 G HN 0.529 nan 8.290 nan 0.000 0.548 139 M N -0.310 119.219 119.600 -0.120 0.000 2.108 139 M HA -0.003 4.477 4.480 -0.000 0.000 0.261 139 M C 2.325 178.555 176.300 -0.117 0.000 1.066 139 M CA 1.874 57.111 55.300 -0.106 0.000 1.107 139 M CB -0.429 32.120 32.600 -0.085 0.000 1.356 139 M HN 0.604 nan 8.290 nan 0.000 0.406 140 K N -0.377 119.947 120.400 -0.126 0.000 2.032 140 K HA -0.235 4.085 4.320 -0.000 0.000 0.209 140 K C 1.667 178.170 176.600 -0.163 0.000 1.048 140 K CA 2.150 58.371 56.287 -0.111 0.000 0.927 140 K CB -0.125 32.316 32.500 -0.098 0.000 0.712 140 K HN 0.392 nan 8.250 nan 0.000 0.441 141 E N 0.404 120.408 120.200 -0.327 0.000 2.106 141 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 141 E C 2.022 178.363 176.600 -0.433 0.000 0.984 141 E CA 1.557 57.619 56.400 -0.563 0.000 0.806 141 E CB -0.092 28.867 29.700 -1.235 0.000 0.750 141 E HN 0.332 nan 8.360 nan 0.000 0.458 142 M N 0.121 119.555 119.600 -0.277 0.000 2.086 142 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 142 M C 2.175 178.533 176.300 0.096 0.000 1.067 142 M CA 1.524 56.859 55.300 0.058 0.000 1.116 142 M CB -0.226 32.410 32.600 0.061 0.000 1.348 142 M HN 0.001 nan 8.290 nan 0.000 0.407 143 R N -0.063 120.466 120.500 0.050 0.000 2.115 143 R HA -0.145 4.195 4.340 -0.000 0.000 0.230 143 R C 2.047 178.461 176.300 0.189 0.000 1.111 143 R CA 1.221 57.427 56.100 0.177 0.000 0.976 143 R CB -0.411 29.969 30.300 0.134 0.000 0.870 143 R HN 0.504 nan 8.270 nan 0.000 0.445 144 E N 0.979 121.231 120.200 0.086 0.000 2.153 144 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 144 E C 1.614 178.281 176.600 0.111 0.000 0.988 144 E CA 1.524 57.968 56.400 0.073 0.000 0.811 144 E CB 0.129 29.841 29.700 0.021 0.000 0.746 144 E HN 0.316 nan 8.360 nan 0.000 0.466 145 S N -0.598 115.200 115.700 0.162 0.000 2.528 145 S HA -0.071 4.399 4.470 -0.000 0.000 0.219 145 S C 0.319 175.053 174.600 0.224 0.000 0.985 145 S CA -0.519 57.797 58.200 0.194 0.000 0.914 145 S CB -0.281 63.079 63.200 0.266 0.000 0.776 145 S HN 0.379 nan 8.310 nan 0.000 0.526 146 W N 3.278 124.592 121.300 0.022 0.000 2.368 146 W HA 0.591 5.251 4.660 -0.000 0.000 0.316 146 W C -0.750 175.735 176.519 -0.057 0.000 1.375 146 W CA -1.006 56.333 57.345 -0.011 0.000 1.261 146 W CB 0.216 29.670 29.460 -0.010 0.000 1.298 146 W HN -0.104 nan 8.180 nan 0.000 0.539 147 K N 4.393 124.625 120.400 -0.280 0.000 2.471 147 K HA 0.448 4.768 4.320 -0.000 0.000 0.252 147 K C -1.399 174.787 176.600 -0.691 0.000 0.938 147 K CA -0.714 55.243 56.287 -0.549 0.000 0.796 147 K CB 1.985 34.205 32.500 -0.467 0.000 1.161 147 K HN 0.165 nan 8.250 nan 0.000 0.425 148 V N 5.440 124.922 119.914 -0.719 0.000 2.294 148 V HA 0.150 4.270 4.120 -0.000 0.000 0.272 148 V C 0.774 176.651 176.094 -0.362 0.000 1.027 148 V CA -0.541 61.478 62.300 -0.468 0.000 0.823 148 V CB 0.701 32.292 31.823 -0.387 0.000 1.030 148 V HN 0.813 nan 8.190 nan 0.000 0.457 149 H N 3.066 122.073 119.070 -0.105 0.000 2.395 149 H HA 0.115 4.671 4.556 -0.000 0.000 0.299 149 H C 0.384 175.677 175.328 -0.059 0.000 1.070 149 H CA 1.076 57.080 56.048 -0.075 0.000 1.356 149 H CB 0.635 30.367 29.762 -0.049 0.000 1.401 149 H HN 0.394 nan 8.280 nan 0.000 0.524 150 V N 1.434 121.381 119.914 0.056 0.000 2.380 150 V HA 0.456 4.576 4.120 -0.000 0.000 0.286 150 V C 0.171 176.264 176.094 -0.002 0.000 1.015 150 V CA -1.004 61.312 62.300 0.027 0.000 0.834 150 V CB 1.220 33.069 31.823 0.042 0.000 1.009 150 V HN 0.341 nan 8.190 nan 0.000 0.428 151 A N 6.796 129.606 122.820 -0.017 0.000 2.466 151 A HA 0.479 4.799 4.320 -0.000 0.000 0.238 151 A C -1.140 176.448 177.584 0.008 0.000 1.074 151 A CA -0.688 51.338 52.037 -0.018 0.000 0.774 151 A CB 0.005 18.991 19.000 -0.023 0.000 1.015 151 A HN 0.666 nan 8.150 nan 0.000 0.498 152 P HA -0.171 nan 4.420 nan 0.000 0.216 152 P C 0.933 178.255 177.300 0.038 0.000 1.153 152 P CA 1.651 64.770 63.100 0.031 0.000 0.858 152 P CB 0.089 31.801 31.700 0.021 0.000 0.789 153 E N -0.819 119.396 120.200 0.026 0.000 2.265 153 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 153 E C 0.762 177.379 176.600 0.027 0.000 0.996 153 E CA 0.805 57.220 56.400 0.025 0.000 0.832 153 E CB -0.339 29.370 29.700 0.015 0.000 0.756 153 E HN 0.357 nan 8.360 nan 0.000 0.491 154 D N -0.100 120.316 120.400 0.025 0.000 2.349 154 D HA 0.052 4.692 4.640 -0.000 0.000 0.214 154 D C 0.331 176.653 176.300 0.036 0.000 1.063 154 D CA 0.185 54.199 54.000 0.024 0.000 0.847 154 D CB 0.307 41.116 40.800 0.014 0.000 0.933 154 D HN 0.053 nan 8.370 nan 0.000 0.513 155 R N 1.249 121.781 120.500 0.053 0.000 2.543 155 R HA 0.378 4.718 4.340 -0.000 0.000 0.268 155 R C -2.198 174.156 176.300 0.089 0.000 1.067 155 R CA -1.443 54.700 56.100 0.073 0.000 1.142 155 R CB -0.091 30.268 30.300 0.099 0.000 1.110 155 R HN -0.108 nan 8.270 nan 0.000 0.549 156 P HA -0.024 nan 4.420 nan 0.000 0.270 156 P C 0.286 177.711 177.300 0.207 0.000 1.227 156 P CA 0.170 63.346 63.100 0.126 0.000 0.788 156 P CB 0.462 32.244 31.700 0.136 0.000 0.926 157 T N -3.373 111.270 114.554 0.149 0.000 3.044 157 T HA 0.198 4.548 4.350 -0.000 0.000 0.260 157 T C 0.319 175.087 174.700 0.113 0.000 1.019 157 T CA -0.194 62.017 62.100 0.185 0.000 0.921 157 T CB -0.211 68.710 68.868 0.088 0.000 1.053 157 T HN 0.650 nan 8.240 nan 0.000 0.533 158 Q N -0.167 119.556 119.800 -0.129 0.000 2.633 158 Q HA 0.335 4.675 4.340 -0.000 0.000 0.289 158 Q C -1.368 174.100 176.000 -0.886 0.000 0.940 158 Q CA -1.160 54.186 55.803 -0.763 0.000 0.785 158 Q CB 0.957 29.419 28.738 -0.460 0.000 1.467 158 Q HN 0.135 nan 8.270 nan 0.000 0.401 159 Q N 0.585 119.540 119.800 -1.409 0.000 2.262 159 Q HA -0.070 4.270 4.340 -0.000 0.000 0.298 159 Q C -0.268 175.482 176.000 -0.417 0.000 1.083 159 Q CA 0.852 56.102 55.803 -0.922 0.000 0.962 159 Q CB 0.497 28.764 28.738 -0.785 0.000 1.104 159 Q HN 0.702 nan 8.270 nan 0.000 0.376 160 E N 2.612 122.659 120.200 -0.255 0.000 2.498 160 E HA 0.023 4.373 4.350 -0.000 0.000 0.203 160 E C -0.510 175.979 176.600 -0.186 0.000 1.013 160 E CA -0.070 56.220 56.400 -0.182 0.000 0.927 160 E CB 0.384 30.014 29.700 -0.117 0.000 1.012 160 E HN 0.664 nan 8.360 nan 0.000 0.482 161 N N -0.227 118.319 118.700 -0.256 0.000 2.592 161 N HA 0.036 4.776 4.740 -0.000 0.000 0.292 161 N C 0.187 175.602 175.510 -0.158 0.000 1.260 161 N CA -0.624 52.247 53.050 -0.298 0.000 0.910 161 N CB 0.504 38.548 38.487 -0.738 0.000 1.257 161 N HN -0.182 nan 8.380 nan 0.000 0.569 162 D N -2.196 118.205 120.400 0.003 0.000 2.363 162 D HA 0.028 4.668 4.640 -0.000 0.000 0.214 162 D C -0.688 175.767 176.300 0.259 0.000 1.093 162 D CA -0.364 53.706 54.000 0.116 0.000 0.837 162 D CB -0.049 40.839 40.800 0.145 0.000 0.948 162 D HN 0.350 nan 8.370 nan 0.000 0.507 163 W N 1.826 123.126 121.300 -0.001 0.000 2.112 163 W HA 0.271 4.931 4.660 -0.000 0.000 0.349 163 W C 0.650 177.178 176.519 0.015 0.000 1.289 163 W CA -1.011 56.342 57.345 0.014 0.000 1.256 163 W CB -0.208 29.272 29.460 0.033 0.000 1.148 163 W HN -0.137 nan 8.180 nan 0.000 0.590 164 D N 1.839 122.393 120.400 0.255 0.000 2.522 164 D HA 0.170 4.809 4.640 -0.000 0.000 0.218 164 D C 1.370 177.779 176.300 0.182 0.000 1.149 164 D CA 0.045 54.139 54.000 0.156 0.000 0.981 164 D CB 0.011 40.864 40.800 0.089 0.000 1.041 164 D HN 0.242 nan 8.370 nan 0.000 0.518 165 L N 1.425 122.772 121.223 0.208 0.000 2.043 165 L HA -0.191 4.148 4.340 -0.000 0.000 0.212 165 L C 1.983 178.951 176.870 0.163 0.000 1.075 165 L CA 1.246 56.214 54.840 0.214 0.000 0.752 165 L CB -0.224 41.960 42.059 0.209 0.000 0.891 165 L HN 0.402 nan 8.230 nan 0.000 0.432 166 E N -0.516 119.774 120.200 0.149 0.000 2.268 166 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 166 E C 1.439 178.097 176.600 0.097 0.000 0.995 166 E CA 0.544 57.040 56.400 0.160 0.000 0.836 166 E CB -0.047 29.770 29.700 0.195 0.000 0.763 166 E HN 0.466 nan 8.360 nan 0.000 0.491 167 N N 0.257 118.998 118.700 0.069 0.000 2.214 167 N HA 0.078 4.818 4.740 -0.000 0.000 0.214 167 N C -0.205 175.337 175.510 0.054 0.000 1.132 167 N CA -0.240 52.831 53.050 0.034 0.000 0.856 167 N CB 0.479 39.002 38.487 0.061 0.000 1.020 167 N HN 0.013 nan 8.380 nan 0.000 0.509 168 L N 1.034 122.293 121.223 0.060 0.000 2.452 168 L HA 0.226 4.566 4.340 -0.000 0.000 0.267 168 L C -0.632 176.228 176.870 -0.017 0.000 1.188 168 L CA 0.017 54.921 54.840 0.108 0.000 0.821 168 L CB 0.385 42.536 42.059 0.153 0.000 1.102 168 L HN -0.037 nan 8.230 nan 0.000 0.470 169 F N 0.403 120.279 119.950 -0.122 0.000 2.467 169 F HA 0.253 4.780 4.527 -0.000 0.000 0.336 169 F C 0.354 176.132 175.800 -0.037 0.000 1.123 169 F CA -0.466 57.419 58.000 -0.193 0.000 0.964 169 F CB 1.932 40.633 39.000 -0.498 0.000 1.136 169 F HN 0.215 nan 8.300 nan 0.000 0.447 170 S N 3.665 119.451 115.700 0.143 0.000 2.420 170 S HA 0.665 5.135 4.470 -0.000 0.000 0.313 170 S C -0.967 173.728 174.600 0.158 0.000 1.079 170 S CA -0.460 57.836 58.200 0.161 0.000 1.104 170 S CB 0.124 63.422 63.200 0.164 0.000 0.969 170 S HN 0.355 nan 8.310 nan 0.000 0.471 171 V N 5.348 125.339 119.914 0.127 0.000 2.398 171 V HA 0.381 4.501 4.120 -0.000 0.000 0.286 171 V C 0.566 176.695 176.094 0.057 0.000 1.026 171 V CA -0.771 61.575 62.300 0.076 0.000 0.868 171 V CB 1.717 33.596 31.823 0.093 0.000 0.982 171 V HN 0.838 nan 8.190 nan 0.000 0.443 172 T N 6.674 121.241 114.554 0.021 0.000 2.834 172 T HA 0.357 4.707 4.350 -0.000 0.000 0.298 172 T C 0.115 174.806 174.700 -0.016 0.000 0.966 172 T CA 0.124 62.232 62.100 0.013 0.000 1.141 172 T CB 0.018 68.882 68.868 -0.007 0.000 0.905 172 T HN 0.393 nan 8.240 nan 0.000 0.535 173 L N 4.743 125.974 121.223 0.013 0.000 2.417 173 L HA 0.383 4.723 4.340 -0.000 0.000 0.258 173 L C 1.857 178.747 176.870 0.034 0.000 1.088 173 L CA -0.588 54.264 54.840 0.019 0.000 0.975 173 L CB 0.316 42.397 42.059 0.036 0.000 1.341 173 L HN 0.676 nan 8.230 nan 0.000 0.431 174 R N 1.236 121.739 120.500 0.006 0.000 2.115 174 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 174 R C 0.778 177.148 176.300 0.117 0.000 1.133 174 R CA 2.221 58.348 56.100 0.045 0.000 0.935 174 R CB 0.212 30.505 30.300 -0.012 0.000 0.853 174 R HN 0.556 nan 8.270 nan 0.000 0.433 175 D N -0.965 119.519 120.400 0.141 0.000 2.328 175 D HA 0.073 4.713 4.640 -0.000 0.000 0.226 175 D C 0.653 177.056 176.300 0.171 0.000 1.066 175 D CA 0.696 54.788 54.000 0.154 0.000 0.861 175 D CB 0.891 41.778 40.800 0.144 0.000 0.912 175 D HN 0.425 nan 8.370 nan 0.000 0.521 176 A N -0.246 122.657 122.820 0.139 0.000 2.252 176 A HA 0.450 4.770 4.320 -0.000 0.000 0.213 176 A C 1.686 179.306 177.584 0.060 0.000 1.188 176 A CA 0.622 52.729 52.037 0.117 0.000 0.863 176 A CB 0.082 19.122 19.000 0.066 0.000 0.893 176 A HN 0.154 nan 8.150 nan 0.000 0.495 177 G N -0.648 108.196 108.800 0.073 0.000 2.221 177 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 177 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 177 G C -0.099 174.762 174.900 -0.065 0.000 1.041 177 G CA 0.710 45.785 45.100 -0.042 0.000 0.807 177 G HN 0.663 nan 8.290 nan 0.000 0.502 178 Q N -1.308 118.488 119.800 -0.008 0.000 2.553 178 Q HA 0.766 5.106 4.340 -0.000 0.000 0.293 178 Q C 0.144 176.161 176.000 0.029 0.000 1.038 178 Q CA -0.942 54.861 55.803 -0.001 0.000 0.777 178 Q CB 2.167 30.905 28.738 0.000 0.000 1.487 178 Q HN 0.689 nan 8.270 nan 0.000 0.426 179 I N -2.198 118.396 120.570 0.039 0.000 2.740 179 I HA 0.941 5.111 4.170 -0.000 0.000 0.303 179 I C -1.029 175.128 176.117 0.066 0.000 1.044 179 I CA -1.170 60.166 61.300 0.060 0.000 1.064 179 I CB 2.060 40.106 38.000 0.077 0.000 1.249 179 I HN 0.542 nan 8.210 nan 0.000 0.433 180 A N 6.187 129.053 122.820 0.076 0.000 2.288 180 A HA 0.748 5.068 4.320 -0.000 0.000 0.320 180 A C -0.662 176.983 177.584 0.102 0.000 1.217 180 A CA -0.630 51.454 52.037 0.079 0.000 0.840 180 A CB 0.879 19.923 19.000 0.074 0.000 1.179 180 A HN 0.766 nan 8.150 nan 0.000 0.504 181 L N 4.054 125.332 121.223 0.092 0.000 2.259 181 L HA 0.414 4.754 4.340 -0.000 0.000 0.288 181 L C -0.692 176.197 176.870 0.032 0.000 1.051 181 L CA 0.065 54.965 54.840 0.099 0.000 0.824 181 L CB 0.384 42.538 42.059 0.159 0.000 1.206 181 L HN 0.563 nan 8.230 nan 0.000 0.429 182 I N 2.185 122.821 120.570 0.111 0.000 2.404 182 I HA 0.204 4.374 4.170 -0.000 0.000 0.293 182 I C 0.185 176.392 176.117 0.149 0.000 0.992 182 I CA -0.682 60.697 61.300 0.131 0.000 1.149 182 I CB 1.963 40.130 38.000 0.280 0.000 1.315 182 I HN 0.497 nan 8.210 nan 0.000 0.446 183 D N 4.929 125.356 120.400 0.045 0.000 2.434 183 D HA -0.002 4.638 4.640 -0.000 0.000 0.252 183 D C 1.187 177.579 176.300 0.152 0.000 1.185 183 D CA 0.272 54.286 54.000 0.023 0.000 0.886 183 D CB 1.699 42.435 40.800 -0.107 0.000 1.148 183 D HN 0.820 nan 8.370 nan 0.000 0.483 184 G N 2.979 111.909 108.800 0.217 0.000 2.509 184 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.218 184 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.218 184 G C 1.097 176.081 174.900 0.140 0.000 1.124 184 G CA 0.852 46.158 45.100 0.344 0.000 0.776 184 G HN 0.576 nan 8.290 nan 0.000 0.547 185 A N 0.107 122.846 122.820 -0.135 0.000 1.984 185 A HA 0.219 4.539 4.320 -0.000 0.000 0.203 185 A C 2.418 179.526 177.584 -0.794 0.000 1.292 185 A CA 1.708 53.529 52.037 -0.360 0.000 0.782 185 A CB -0.299 18.601 19.000 -0.166 0.000 0.924 185 A HN 0.371 nan 8.150 nan 0.000 0.475 186 T N -5.353 108.865 114.554 -0.559 0.000 3.065 186 T HA 0.088 4.438 4.350 -0.000 0.000 0.252 186 T C 0.583 174.961 174.700 -0.537 0.000 1.099 186 T CA 0.972 62.766 62.100 -0.511 0.000 1.063 186 T CB -0.545 68.178 68.868 -0.241 0.000 0.948 186 T HN 0.731 nan 8.240 nan 0.000 0.506 187 Y N 0.236 120.457 120.300 -0.131 0.000 4.668 187 Y HA -0.189 4.361 4.550 -0.000 0.000 0.234 187 Y C 0.304 176.145 175.900 -0.098 0.000 1.056 187 Y CA 0.094 58.089 58.100 -0.175 0.000 2.025 187 Y CB -2.767 35.381 38.460 -0.519 0.000 1.613 187 Y HN 0.602 nan 8.280 nan 0.000 0.653 188 E N 1.311 121.500 120.200 -0.018 0.000 2.313 188 E HA 0.432 4.782 4.350 -0.000 0.000 0.276 188 E C -0.015 176.561 176.600 -0.040 0.000 1.031 188 E CA -0.572 55.808 56.400 -0.033 0.000 0.857 188 E CB 0.567 30.211 29.700 -0.093 0.000 1.040 188 E HN 0.346 nan 8.360 nan 0.000 0.408 189 I N 6.094 126.648 120.570 -0.027 0.000 2.406 189 I HA -0.033 4.137 4.170 -0.000 0.000 0.293 189 I C 1.382 177.425 176.117 -0.124 0.000 1.101 189 I CA -0.079 61.198 61.300 -0.038 0.000 1.334 189 I CB 0.518 38.517 38.000 -0.001 0.000 1.421 189 I HN 0.500 nan 8.210 nan 0.000 0.513 190 K N 3.292 123.540 120.400 -0.253 0.000 2.155 190 K HA 0.036 4.356 4.320 -0.000 0.000 0.203 190 K C 0.739 177.193 176.600 -0.244 0.000 1.052 190 K CA 0.658 56.650 56.287 -0.493 0.000 0.948 190 K CB 0.139 31.910 32.500 -1.216 0.000 0.728 190 K HN 0.600 nan 8.250 nan 0.000 0.448 191 S N -0.600 115.043 115.700 -0.094 0.000 2.597 191 S HA 0.320 4.790 4.470 -0.000 0.000 0.274 191 S C -1.914 172.723 174.600 0.062 0.000 1.132 191 S CA -0.833 57.401 58.200 0.057 0.000 0.835 191 S CB 1.659 64.995 63.200 0.227 0.000 1.092 191 S HN -0.149 nan 8.310 nan 0.000 0.457 192 V N 3.911 123.863 119.914 0.064 0.000 2.443 192 V HA 0.543 4.663 4.120 -0.000 0.000 0.293 192 V C -0.706 175.418 176.094 0.049 0.000 1.021 192 V CA -0.484 61.847 62.300 0.051 0.000 0.848 192 V CB 1.236 33.080 31.823 0.034 0.000 0.998 192 V HN 0.776 nan 8.190 nan 0.000 0.424 193 L N 3.841 125.093 121.223 0.049 0.000 2.329 193 L HA 0.617 4.957 4.340 -0.000 0.000 0.279 193 L C -0.580 176.294 176.870 0.007 0.000 1.014 193 L CA -0.833 54.027 54.840 0.035 0.000 0.814 193 L CB 2.090 44.180 42.059 0.051 0.000 1.257 193 L HN 0.502 nan 8.230 nan 0.000 0.424 194 D N 0.922 121.312 120.400 -0.016 0.000 2.308 194 D HA 0.213 4.853 4.640 -0.000 0.000 0.251 194 D C 0.861 177.140 176.300 -0.035 0.000 1.127 194 D CA 0.023 53.995 54.000 -0.048 0.000 0.876 194 D CB 2.013 42.768 40.800 -0.076 0.000 1.176 194 D HN 0.682 nan 8.370 nan 0.000 0.446 195 T N -0.666 113.864 114.554 -0.039 0.000 3.138 195 T HA 0.465 4.815 4.350 -0.000 0.000 0.245 195 T C 0.835 175.519 174.700 -0.027 0.000 0.982 195 T CA 0.290 62.384 62.100 -0.010 0.000 1.134 195 T CB 0.627 69.505 68.868 0.016 0.000 1.032 195 T HN 0.585 nan 8.240 nan 0.000 0.442 196 G N -0.327 108.432 108.800 -0.069 0.000 2.352 196 G HA2 0.355 4.315 3.960 -0.000 0.000 0.303 196 G HA3 0.355 4.315 3.960 -0.000 0.000 0.303 196 G C -1.443 173.416 174.900 -0.068 0.000 1.593 196 G CA -1.205 43.833 45.100 -0.103 0.000 0.963 196 G HN 0.376 nan 8.290 nan 0.000 0.685 197 Y N 0.514 120.833 120.300 0.032 0.000 2.788 197 Y HA 0.190 4.740 4.550 -0.000 0.000 0.341 197 Y C 1.655 177.586 175.900 0.052 0.000 1.258 197 Y CA 1.860 59.975 58.100 0.025 0.000 1.503 197 Y CB 0.831 39.294 38.460 0.005 0.000 1.325 197 Y HN 2.048 nan 8.280 nan 0.000 0.614 198 A N 0.841 123.801 122.820 0.232 0.000 3.080 198 A HA -0.224 4.096 4.320 -0.000 0.000 0.254 198 A C 0.224 177.881 177.584 0.121 0.000 1.277 198 A CA 0.357 52.481 52.037 0.145 0.000 1.065 198 A CB -2.194 16.877 19.000 0.118 0.000 1.160 198 A HN 0.782 nan 8.150 nan 0.000 0.886 199 V N 1.318 121.303 119.914 0.118 0.000 2.681 199 V HA 0.114 4.234 4.120 -0.000 0.000 0.306 199 V C 1.389 177.579 176.094 0.160 0.000 1.077 199 V CA 1.802 64.168 62.300 0.111 0.000 1.224 199 V CB 0.465 32.335 31.823 0.079 0.000 0.879 199 V HN 0.652 nan 8.190 nan 0.000 0.494 200 H N 6.298 125.393 119.070 0.041 0.000 2.356 200 H HA 0.398 4.954 4.556 -0.000 0.000 0.306 200 H C 0.619 175.998 175.328 0.084 0.000 1.142 200 H CA 0.612 56.689 56.048 0.047 0.000 1.673 200 H CB 0.982 30.759 29.762 0.025 0.000 1.505 200 H HN 0.697 nan 8.280 nan 0.000 0.638 201 I N -0.621 119.897 120.570 -0.086 0.000 3.264 201 I HA 0.509 4.679 4.170 -0.000 0.000 0.315 201 I C -1.126 174.942 176.117 -0.082 0.000 1.154 201 I CA -1.035 60.222 61.300 -0.072 0.000 0.962 201 I CB 2.615 40.448 38.000 -0.278 0.000 1.265 201 I HN 0.020 nan 8.210 nan 0.000 0.463 202 S N 1.551 117.139 115.700 -0.186 0.000 2.568 202 S HA 0.735 5.205 4.470 -0.000 0.000 0.302 202 S C -0.633 173.668 174.600 -0.498 0.000 1.082 202 S CA -0.891 57.196 58.200 -0.189 0.000 1.009 202 S CB 1.690 64.919 63.200 0.049 0.000 1.069 202 S HN 0.471 nan 8.310 nan 0.000 0.500 203 R N 0.967 121.344 120.500 -0.205 0.000 2.774 203 R HA 0.545 4.885 4.340 -0.000 0.000 0.272 203 R C -1.633 174.688 176.300 0.036 0.000 1.000 203 R CA -0.800 55.189 56.100 -0.186 0.000 0.906 203 R CB 1.277 31.463 30.300 -0.191 0.000 1.227 203 R HN 0.414 nan 8.270 nan 0.000 0.468 204 L N 1.122 122.366 121.223 0.035 0.000 2.342 204 L HA 0.415 4.755 4.340 -0.000 0.000 0.271 204 L C 0.812 177.763 176.870 0.135 0.000 1.008 204 L CA -0.419 54.496 54.840 0.126 0.000 0.818 204 L CB 1.891 43.986 42.059 0.060 0.000 1.296 204 L HN 0.819 nan 8.230 nan 0.000 0.427 205 S N 0.947 116.790 115.700 0.239 0.000 2.584 205 S HA 0.263 4.733 4.470 -0.000 0.000 0.270 205 S C 1.227 175.871 174.600 0.073 0.000 1.346 205 S CA 0.127 58.439 58.200 0.187 0.000 1.018 205 S CB 1.104 64.503 63.200 0.331 0.000 0.899 205 S HN 0.716 nan 8.310 nan 0.000 0.542 206 A N 1.761 124.605 122.820 0.039 0.000 2.019 206 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 206 A C 2.364 179.955 177.584 0.012 0.000 1.164 206 A CA 1.702 53.746 52.037 0.012 0.000 0.644 206 A CB -1.386 17.617 19.000 0.005 0.000 0.805 206 A HN 1.325 nan 8.150 nan 0.000 0.449 207 S N -2.315 113.392 115.700 0.012 0.000 2.496 207 S HA 0.349 4.819 4.470 -0.000 0.000 0.224 207 S C 1.545 176.145 174.600 0.000 0.000 0.996 207 S CA 1.128 59.328 58.200 -0.000 0.000 0.927 207 S CB -0.213 62.958 63.200 -0.047 0.000 0.774 207 S HN 1.871 nan 8.310 nan 0.000 0.524 208 G N 1.783 110.578 108.800 -0.009 0.000 2.175 208 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.244 208 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.244 208 G C 0.840 175.695 174.900 -0.074 0.000 0.982 208 G CA 0.399 45.503 45.100 0.007 0.000 0.641 208 G HN 0.585 nan 8.290 nan 0.000 0.527 209 R N -0.851 119.484 120.500 -0.275 0.000 2.100 209 R HA 0.204 4.544 4.340 -0.000 0.000 0.220 209 R C 0.175 176.079 176.300 -0.659 0.000 1.091 209 R CA 0.705 56.389 56.100 -0.693 0.000 0.986 209 R CB 0.006 29.487 30.300 -1.366 0.000 0.888 209 R HN 0.348 nan 8.270 nan 0.000 0.444 210 Y N 0.677 120.865 120.300 -0.188 0.000 2.331 210 Y HA 0.306 4.856 4.550 -0.000 0.000 0.338 210 Y C -0.517 175.288 175.900 -0.159 0.000 0.992 210 Y CA -1.307 56.658 58.100 -0.225 0.000 1.121 210 Y CB 1.633 39.941 38.460 -0.254 0.000 1.184 210 Y HN -0.023 nan 8.280 nan 0.000 0.469 211 L N 4.918 126.095 121.223 -0.076 0.000 2.264 211 L HA 0.587 4.927 4.340 -0.000 0.000 0.289 211 L C -1.694 175.047 176.870 -0.216 0.000 1.044 211 L CA -0.457 54.359 54.840 -0.040 0.000 0.807 211 L CB -0.157 41.905 42.059 0.006 0.000 1.192 211 L HN 0.358 nan 8.230 nan 0.000 0.425 212 F N 5.090 125.043 119.950 0.005 0.000 2.436 212 F HA 0.631 5.158 4.527 -0.000 0.000 0.340 212 F C 0.058 175.838 175.800 -0.035 0.000 1.113 212 F CA -0.554 57.434 58.000 -0.019 0.000 1.022 212 F CB 1.984 40.954 39.000 -0.050 0.000 1.128 212 F HN 0.370 nan 8.300 nan 0.000 0.466 213 V N 5.768 125.755 119.914 0.121 0.000 2.656 213 V HA 0.713 4.833 4.120 -0.000 0.000 0.307 213 V C -1.457 174.683 176.094 0.077 0.000 1.051 213 V CA -0.686 61.658 62.300 0.074 0.000 0.893 213 V CB 1.828 33.685 31.823 0.058 0.000 0.999 213 V HN 0.750 nan 8.190 nan 0.000 0.426 214 I N 4.825 125.431 120.570 0.060 0.000 2.569 214 I HA 0.904 5.074 4.170 -0.000 0.000 0.296 214 I C 0.445 176.616 176.117 0.090 0.000 1.028 214 I CA -0.185 61.152 61.300 0.063 0.000 1.082 214 I CB 1.845 39.869 38.000 0.040 0.000 1.264 214 I HN 0.914 nan 8.210 nan 0.000 0.429 215 G N 4.835 113.677 108.800 0.069 0.000 2.509 215 G HA2 0.376 4.336 3.960 -0.000 0.000 0.328 215 G HA3 0.376 4.336 3.960 -0.000 0.000 0.328 215 G C 0.233 175.147 174.900 0.023 0.000 1.194 215 G CA -0.645 44.501 45.100 0.076 0.000 0.967 215 G HN 0.712 nan 8.290 nan 0.000 0.488 216 R N -0.382 120.116 120.500 -0.003 0.000 2.237 216 R HA -0.056 4.284 4.340 -0.000 0.000 0.219 216 R C 1.217 177.485 176.300 -0.053 0.000 1.080 216 R CA 1.317 57.364 56.100 -0.088 0.000 0.995 216 R CB 0.174 30.421 30.300 -0.089 0.000 0.875 216 R HN 0.664 nan 8.270 nan 0.000 0.462 217 D N -1.007 119.388 120.400 -0.008 0.000 2.340 217 D HA 0.031 4.671 4.640 -0.000 0.000 0.220 217 D C 1.114 177.384 176.300 -0.049 0.000 1.039 217 D CA 0.734 54.729 54.000 -0.008 0.000 0.866 217 D CB 0.198 41.017 40.800 0.030 0.000 0.913 217 D HN 0.215 nan 8.370 nan 0.000 0.523 218 G N 0.478 109.246 108.800 -0.053 0.000 2.157 218 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.248 218 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.248 218 G C 0.226 175.101 174.900 -0.041 0.000 0.979 218 G CA 0.209 45.264 45.100 -0.075 0.000 0.650 218 G HN 0.602 nan 8.290 nan 0.000 0.529 219 K N 0.716 121.116 120.400 0.000 0.000 2.322 219 K HA 0.562 4.882 4.320 -0.000 0.000 0.283 219 K C 0.117 176.747 176.600 0.049 0.000 1.042 219 K CA -0.247 56.062 56.287 0.036 0.000 0.958 219 K CB 1.062 33.595 32.500 0.055 0.000 0.984 219 K HN 0.238 nan 8.250 nan 0.000 0.473 220 V N 5.357 125.312 119.914 0.069 0.000 2.495 220 V HA 0.386 4.506 4.120 -0.000 0.000 0.298 220 V C -0.386 175.765 176.094 0.096 0.000 1.031 220 V CA -0.921 61.431 62.300 0.087 0.000 0.871 220 V CB 1.693 33.576 31.823 0.099 0.000 0.988 220 V HN 0.856 nan 8.190 nan 0.000 0.432 221 N N 4.275 123.024 118.700 0.082 0.000 2.321 221 N HA 0.549 5.289 4.740 -0.000 0.000 0.299 221 N C -1.042 174.447 175.510 -0.035 0.000 1.048 221 N CA -0.543 52.535 53.050 0.047 0.000 0.836 221 N CB 2.458 40.967 38.487 0.036 0.000 1.269 221 N HN 0.629 nan 8.380 nan 0.000 0.486 222 M N 3.841 123.379 119.600 -0.104 0.000 2.227 222 M HA 0.481 4.961 4.480 -0.000 0.000 0.335 222 M C -1.580 174.591 176.300 -0.215 0.000 1.053 222 M CA -0.504 54.571 55.300 -0.375 0.000 0.973 222 M CB 0.880 33.219 32.600 -0.435 0.000 1.623 222 M HN 0.452 nan 8.290 nan 0.000 0.434 223 I N 3.969 124.414 120.570 -0.209 0.000 2.406 223 I HA 0.247 4.417 4.170 -0.000 0.000 0.290 223 I C -0.676 175.448 176.117 0.012 0.000 0.999 223 I CA -0.617 60.647 61.300 -0.060 0.000 1.124 223 I CB 1.752 39.733 38.000 -0.031 0.000 1.289 223 I HN 0.592 nan 8.210 nan 0.000 0.441 224 D N 6.947 127.377 120.400 0.051 0.000 2.380 224 D HA 0.196 4.836 4.640 -0.000 0.000 0.230 224 D C 0.760 177.007 176.300 -0.088 0.000 1.154 224 D CA -0.063 53.943 54.000 0.009 0.000 0.859 224 D CB 1.064 41.913 40.800 0.082 0.000 1.045 224 D HN 0.443 nan 8.370 nan 0.000 0.495 225 L N 2.874 124.007 121.223 -0.150 0.000 2.622 225 L HA -0.014 4.326 4.340 -0.000 0.000 0.233 225 L C 1.165 178.056 176.870 0.034 0.000 1.156 225 L CA 0.129 54.929 54.840 -0.067 0.000 0.866 225 L CB -0.046 42.010 42.059 -0.004 0.000 0.980 225 L HN 0.488 nan 8.230 nan 0.000 0.448 226 W N -0.466 120.691 121.300 -0.238 0.000 2.863 226 W HA 0.161 4.821 4.660 -0.000 0.000 0.258 226 W C 1.144 177.531 176.519 -0.221 0.000 1.298 226 W CA -0.853 56.359 57.345 -0.222 0.000 1.451 226 W CB -0.343 29.001 29.460 -0.193 0.000 1.107 226 W HN 0.018 nan 8.180 nan 0.000 0.641 227 M N 0.706 120.306 119.600 0.001 0.000 2.240 227 M HA -0.040 4.440 4.480 -0.000 0.000 0.317 227 M C 1.826 178.017 176.300 -0.181 0.000 1.087 227 M CA 0.293 55.555 55.300 -0.063 0.000 1.176 227 M CB 0.571 33.138 32.600 -0.054 0.000 1.439 227 M HN -0.317 nan 8.290 nan 0.000 0.452 228 K N 1.113 121.429 120.400 -0.139 0.000 2.020 228 K HA -0.111 4.209 4.320 -0.000 0.000 0.212 228 K C 0.189 176.671 176.600 -0.196 0.000 1.050 228 K CA 1.637 57.828 56.287 -0.159 0.000 0.929 228 K CB 0.135 32.588 32.500 -0.078 0.000 0.714 228 K HN 0.551 nan 8.250 nan 0.000 0.443 229 E N 0.411 120.538 120.200 -0.122 0.000 2.346 229 E HA 0.208 4.558 4.350 -0.000 0.000 0.239 229 E C -2.592 173.963 176.600 -0.075 0.000 0.943 229 E CA -2.555 53.804 56.400 -0.068 0.000 0.751 229 E CB 1.145 30.844 29.700 -0.001 0.000 1.241 229 E HN -0.019 nan 8.360 nan 0.000 0.423 230 P HA -0.034 nan 4.420 nan 0.000 0.261 230 P C -0.601 176.702 177.300 0.006 0.000 1.183 230 P CA 0.355 63.406 63.100 -0.082 0.000 0.761 230 P CB 1.071 32.701 31.700 -0.118 0.000 0.785 231 T N 1.474 116.028 114.554 -0.000 0.000 2.754 231 T HA 0.352 4.702 4.350 -0.000 0.000 0.296 231 T C -0.793 173.911 174.700 0.005 0.000 1.205 231 T CA -0.485 61.618 62.100 0.005 0.000 1.009 231 T CB 0.697 69.556 68.868 -0.013 0.000 1.368 231 T HN 0.090 nan 8.240 nan 0.000 0.509 232 T N 2.108 116.662 114.554 0.001 0.000 2.799 232 T HA 0.285 4.635 4.350 -0.000 0.000 0.296 232 T C 1.519 176.273 174.700 0.090 0.000 0.947 232 T CA 0.212 62.332 62.100 0.034 0.000 1.141 232 T CB 0.483 69.377 68.868 0.045 0.000 0.891 232 T HN 0.596 nan 8.240 nan 0.000 0.533 233 V N 0.918 120.879 119.914 0.079 0.000 3.644 233 V HA 0.729 4.849 4.120 -0.000 0.000 0.267 233 V C 0.580 176.715 176.094 0.069 0.000 1.277 233 V CA 0.236 62.592 62.300 0.093 0.000 1.096 233 V CB -0.589 31.260 31.823 0.044 0.000 0.828 233 V HN 0.899 nan 8.190 nan 0.000 0.446 234 A N 0.854 123.703 122.820 0.049 0.000 2.604 234 A HA 0.791 5.111 4.320 -0.000 0.000 0.295 234 A C -0.906 176.707 177.584 0.049 0.000 1.067 234 A CA -0.214 51.812 52.037 -0.019 0.000 0.683 234 A CB 1.598 20.608 19.000 0.016 0.000 1.281 234 A HN 0.650 nan 8.150 nan 0.000 0.407 235 E N 0.806 121.035 120.200 0.049 0.000 2.413 235 E HA 0.865 5.215 4.350 -0.000 0.000 0.277 235 E C -1.375 175.344 176.600 0.199 0.000 0.958 235 E CA -0.750 55.723 56.400 0.121 0.000 0.779 235 E CB 2.160 31.941 29.700 0.135 0.000 1.278 235 E HN 0.922 nan 8.360 nan 0.000 0.456 236 I N -0.121 120.558 120.570 0.182 0.000 3.021 236 I HA 0.369 4.539 4.170 -0.000 0.000 0.305 236 I C -2.040 174.166 176.117 0.147 0.000 1.434 236 I CA -0.802 60.621 61.300 0.206 0.000 0.969 236 I CB 2.331 40.451 38.000 0.200 0.000 1.328 236 I HN 0.653 nan 8.210 nan 0.000 0.486 237 K N 4.359 124.865 120.400 0.176 0.000 2.270 237 K HA 0.534 4.854 4.320 -0.000 0.000 0.255 237 K C -0.171 176.495 176.600 0.110 0.000 0.936 237 K CA -0.509 55.839 56.287 0.101 0.000 0.809 237 K CB 1.439 34.002 32.500 0.104 0.000 1.131 237 K HN 0.553 nan 8.250 nan 0.000 0.427 238 I N -0.342 120.193 120.570 -0.059 0.000 4.081 238 I HA 0.482 4.652 4.170 -0.000 0.000 0.333 238 I C 0.264 176.286 176.117 -0.158 0.000 1.413 238 I CA -0.255 61.039 61.300 -0.009 0.000 1.110 238 I CB 1.207 39.202 38.000 -0.008 0.000 1.082 238 I HN 0.643 nan 8.210 nan 0.000 0.402 239 G N -0.128 108.323 108.800 -0.581 0.000 2.335 239 G HA2 0.294 4.254 3.960 -0.000 0.000 0.291 239 G HA3 0.294 4.254 3.960 -0.000 0.000 0.291 239 G C -0.341 174.228 174.900 -0.551 0.000 1.261 239 G CA 0.138 44.898 45.100 -0.567 0.000 0.871 239 G HN -0.142 nan 8.290 nan 0.000 0.491 240 S N -0.375 115.238 115.700 -0.144 0.000 2.468 240 S HA 0.290 4.760 4.470 -0.000 0.000 0.226 240 S C 0.398 175.040 174.600 0.069 0.000 1.051 240 S CA 0.667 58.882 58.200 0.026 0.000 0.943 240 S CB 0.172 63.550 63.200 0.297 0.000 0.810 240 S HN 0.501 nan 8.310 nan 0.000 0.509 241 E N 0.135 120.408 120.200 0.122 0.000 2.272 241 E HA 0.753 5.103 4.350 -0.000 0.000 0.269 241 E C -1.026 175.576 176.600 0.004 0.000 0.877 241 E CA -0.610 55.846 56.400 0.094 0.000 0.755 241 E CB 2.290 32.127 29.700 0.229 0.000 1.192 241 E HN 0.271 nan 8.360 nan 0.000 0.422 242 A N 1.884 124.607 122.820 -0.161 0.000 2.601 242 A HA 0.653 4.973 4.320 -0.000 0.000 0.291 242 A C -0.499 176.859 177.584 -0.376 0.000 1.075 242 A CA -0.632 51.267 52.037 -0.230 0.000 0.671 242 A CB 1.485 20.420 19.000 -0.109 0.000 1.277 242 A HN 0.493 nan 8.150 nan 0.000 0.417 243 R N -0.434 119.873 120.500 -0.322 0.000 2.646 243 R HA 0.209 4.549 4.340 -0.000 0.000 0.226 243 R C 0.371 176.713 176.300 0.069 0.000 0.928 243 R CA 1.144 57.111 56.100 -0.222 0.000 1.010 243 R CB 0.231 30.310 30.300 -0.368 0.000 1.516 243 R HN 0.982 nan 8.270 nan 0.000 0.621 244 S N 0.001 115.692 115.700 -0.015 0.000 2.600 244 S HA 0.781 5.251 4.470 -0.000 0.000 0.300 244 S C -0.325 174.223 174.600 -0.087 0.000 1.087 244 S CA -0.691 57.493 58.200 -0.026 0.000 0.965 244 S CB 2.427 65.602 63.200 -0.041 0.000 1.089 244 S HN 0.141 nan 8.310 nan 0.000 0.496 245 I N 0.548 121.041 120.570 -0.129 0.000 2.827 245 I HA 0.783 4.953 4.170 -0.000 0.000 0.298 245 I C -1.755 174.210 176.117 -0.254 0.000 1.235 245 I CA -0.266 60.917 61.300 -0.194 0.000 1.021 245 I CB 2.211 40.132 38.000 -0.132 0.000 1.259 245 I HN 0.935 nan 8.210 nan 0.000 0.427 246 E N 2.971 122.955 120.200 -0.360 0.000 2.423 246 E HA 0.594 4.944 4.350 -0.000 0.000 0.280 246 E C -1.543 174.832 176.600 -0.375 0.000 1.030 246 E CA -0.429 55.782 56.400 -0.315 0.000 0.812 246 E CB 1.996 31.552 29.700 -0.240 0.000 1.313 246 E HN 0.629 nan 8.360 nan 0.000 0.456 247 T N -0.949 113.492 114.554 -0.188 0.000 2.932 247 T HA 0.657 5.007 4.350 -0.000 0.000 0.289 247 T C -0.336 174.444 174.700 0.133 0.000 1.039 247 T CA -0.580 61.440 62.100 -0.133 0.000 1.024 247 T CB 1.116 69.860 68.868 -0.206 0.000 1.090 247 T HN 0.534 nan 8.240 nan 0.000 0.496 248 S N 0.975 116.716 115.700 0.069 0.000 2.498 248 S HA 0.275 4.745 4.470 -0.000 0.000 0.281 248 S C 0.256 174.815 174.600 -0.069 0.000 1.265 248 S CA -0.769 57.342 58.200 -0.148 0.000 1.071 248 S CB 0.262 63.221 63.200 -0.401 0.000 0.894 248 S HN 0.801 nan 8.310 nan 0.000 0.491 249 K N 1.163 121.488 120.400 -0.126 0.000 2.414 249 K HA 0.216 4.536 4.320 -0.000 0.000 0.204 249 K C -0.043 176.417 176.600 -0.234 0.000 1.026 249 K CA -0.324 55.832 56.287 -0.218 0.000 1.108 249 K CB 0.288 32.528 32.500 -0.433 0.000 0.855 249 K HN 0.615 nan 8.250 nan 0.000 0.517 250 M N 2.304 121.867 119.600 -0.062 0.000 2.200 250 M HA 0.054 4.534 4.480 -0.000 0.000 0.355 250 M C -0.060 176.328 176.300 0.145 0.000 1.283 250 M CA -0.031 55.273 55.300 0.006 0.000 1.124 250 M CB 0.558 33.157 32.600 -0.002 0.000 1.625 250 M HN 0.012 nan 8.290 nan 0.000 0.463 251 E N 3.392 123.647 120.200 0.091 0.000 2.529 251 E HA 0.256 4.606 4.350 -0.000 0.000 0.259 251 E C 0.849 177.523 176.600 0.125 0.000 0.966 251 E CA 1.337 57.789 56.400 0.087 0.000 0.937 251 E CB 0.036 29.764 29.700 0.047 0.000 0.923 251 E HN 0.996 nan 8.360 nan 0.000 0.468 252 G N 3.802 112.631 108.800 0.049 0.000 2.194 252 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.236 252 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.236 252 G C 0.071 174.824 174.900 -0.244 0.000 0.987 252 G CA 0.179 45.225 45.100 -0.090 0.000 0.635 252 G HN 0.666 nan 8.290 nan 0.000 0.520 253 W N 1.643 122.939 121.300 -0.006 0.000 2.818 253 W HA 0.607 5.267 4.660 -0.000 0.000 0.403 253 W C 0.366 176.847 176.519 -0.063 0.000 0.991 253 W CA -0.525 56.817 57.345 -0.005 0.000 1.925 253 W CB 0.567 30.095 29.460 0.114 0.000 1.166 253 W HN 0.143 nan 8.180 nan 0.000 0.605 254 E N 1.292 121.536 120.200 0.074 0.000 2.558 254 E HA -0.069 4.281 4.350 -0.000 0.000 0.255 254 E C 0.638 177.244 176.600 0.009 0.000 0.968 254 E CA 1.131 57.551 56.400 0.033 0.000 0.939 254 E CB 0.023 29.731 29.700 0.013 0.000 0.921 254 E HN 0.067 nan 8.360 nan 0.000 0.477 255 D N 1.969 122.385 120.400 0.026 0.000 3.077 255 D HA -0.212 4.428 4.640 -0.000 0.000 0.217 255 D C 0.760 177.025 176.300 -0.059 0.000 1.162 255 D CA 0.784 54.807 54.000 0.038 0.000 0.943 255 D CB -0.208 40.641 40.800 0.082 0.000 1.122 255 D HN 0.400 nan 8.370 nan 0.000 0.413 256 K N -0.779 119.550 120.400 -0.118 0.000 2.067 256 K HA 0.006 4.326 4.320 -0.000 0.000 0.203 256 K C 0.787 177.017 176.600 -0.617 0.000 1.048 256 K CA 1.186 57.270 56.287 -0.339 0.000 0.954 256 K CB 0.213 32.591 32.500 -0.202 0.000 0.737 256 K HN 0.285 nan 8.250 nan 0.000 0.444 257 Y N -1.236 119.001 120.300 -0.105 0.000 2.581 257 Y HA 0.536 5.086 4.550 -0.000 0.000 0.345 257 Y C -0.551 175.258 175.900 -0.151 0.000 1.036 257 Y CA -1.514 56.513 58.100 -0.122 0.000 1.042 257 Y CB 1.966 40.326 38.460 -0.166 0.000 1.289 257 Y HN -0.073 nan 8.280 nan 0.000 0.471 258 A N 2.051 124.849 122.820 -0.037 0.000 2.435 258 A HA 0.852 5.172 4.320 -0.000 0.000 0.304 258 A C -1.739 175.596 177.584 -0.415 0.000 1.064 258 A CA -0.767 51.043 52.037 -0.379 0.000 0.727 258 A CB 1.470 20.087 19.000 -0.639 0.000 1.284 258 A HN 0.761 nan 8.150 nan 0.000 0.415 259 I N 0.796 120.956 120.570 -0.685 0.000 2.582 259 I HA 0.757 4.927 4.170 -0.000 0.000 0.292 259 I C -0.319 175.538 176.117 -0.433 0.000 1.066 259 I CA -0.697 60.207 61.300 -0.660 0.000 1.053 259 I CB 1.910 39.160 38.000 -1.249 0.000 1.241 259 I HN 0.866 nan 8.210 nan 0.000 0.421 260 A N 4.732 127.405 122.820 -0.246 0.000 2.374 260 A HA 0.875 5.195 4.320 -0.000 0.000 0.317 260 A C -0.551 176.984 177.584 -0.082 0.000 1.094 260 A CA -0.462 51.481 52.037 -0.156 0.000 0.765 260 A CB 1.577 20.518 19.000 -0.098 0.000 1.268 260 A HN 0.845 nan 8.150 nan 0.000 0.438 261 G N -0.046 108.717 108.800 -0.061 0.000 2.452 261 G HA2 0.716 4.676 3.960 -0.000 0.000 0.324 261 G HA3 0.716 4.676 3.960 -0.000 0.000 0.324 261 G C -0.327 174.584 174.900 0.019 0.000 1.214 261 G CA 0.161 45.266 45.100 0.009 0.000 0.947 261 G HN 1.420 nan 8.290 nan 0.000 0.478 262 A N 1.091 123.943 122.820 0.053 0.000 2.330 262 A HA 0.702 5.022 4.320 -0.000 0.000 0.329 262 A C -0.048 177.676 177.584 0.233 0.000 1.135 262 A CA -0.645 51.434 52.037 0.071 0.000 0.817 262 A CB 1.118 20.120 19.000 0.005 0.000 1.269 262 A HN 0.655 nan 8.150 nan 0.000 0.469 263 Y N -0.528 119.810 120.300 0.062 0.000 2.389 263 Y HA 0.162 4.712 4.550 -0.000 0.000 0.292 263 Y C 0.498 176.530 175.900 0.220 0.000 1.117 263 Y CA 0.035 58.211 58.100 0.126 0.000 1.195 263 Y CB 0.354 38.901 38.460 0.145 0.000 1.076 263 Y HN 0.666 nan 8.280 nan 0.000 0.548 264 W N 1.831 123.244 121.300 0.188 0.000 3.405 264 W HA 0.308 4.968 4.660 -0.000 0.000 0.329 264 W C -3.203 173.352 176.519 0.060 0.000 1.142 264 W CA -2.119 55.296 57.345 0.116 0.000 1.235 264 W CB 2.197 31.734 29.460 0.129 0.000 1.341 264 W HN -0.173 nan 8.180 nan 0.000 0.481 265 P HA 0.225 nan 4.420 nan 0.000 0.274 265 P C -2.584 174.356 177.300 -0.600 0.000 1.256 265 P CA -1.235 61.027 63.100 -1.397 0.000 0.795 265 P CB 0.165 31.277 31.700 -0.979 0.000 1.038 266 P HA 0.137 nan 4.420 nan 0.000 0.273 266 P C -0.742 176.446 177.300 -0.186 0.000 1.428 266 P CA 0.363 63.328 63.100 -0.225 0.000 0.995 266 P CB -0.289 31.310 31.700 -0.167 0.000 1.286 267 Q N 2.791 122.515 119.800 -0.125 0.000 2.702 267 Q HA 0.494 4.834 4.340 -0.000 0.000 0.289 267 Q C -1.676 174.303 176.000 -0.036 0.000 0.923 267 Q CA -1.070 54.646 55.803 -0.144 0.000 0.787 267 Q CB 1.164 29.788 28.738 -0.190 0.000 1.476 267 Q HN 0.301 nan 8.270 nan 0.000 0.402 268 Y N -1.543 118.704 120.300 -0.088 0.000 2.545 268 Y HA 0.851 5.401 4.550 -0.000 0.000 0.348 268 Y C -1.356 174.478 175.900 -0.111 0.000 1.002 268 Y CA -1.194 56.842 58.100 -0.106 0.000 1.039 268 Y CB 1.834 40.222 38.460 -0.120 0.000 1.271 268 Y HN 0.492 nan 8.280 nan 0.000 0.467 269 V N 2.946 122.900 119.914 0.068 0.000 2.638 269 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 269 V C -0.455 175.622 176.094 -0.028 0.000 1.052 269 V CA -1.064 61.221 62.300 -0.025 0.000 0.885 269 V CB 1.641 33.430 31.823 -0.056 0.000 0.999 269 V HN 0.822 nan 8.190 nan 0.000 0.424 270 I N 4.769 125.317 120.570 -0.038 0.000 2.331 270 I HA 0.522 4.692 4.170 -0.000 0.000 0.292 270 I C -0.134 175.945 176.117 -0.063 0.000 0.998 270 I CA -0.083 61.167 61.300 -0.083 0.000 1.267 270 I CB 1.517 39.458 38.000 -0.098 0.000 1.386 270 I HN 0.519 nan 8.210 nan 0.000 0.476 271 M N 4.731 124.312 119.600 -0.032 0.000 2.598 271 M HA 0.301 4.781 4.480 -0.000 0.000 0.317 271 M C -0.210 176.157 176.300 0.112 0.000 1.179 271 M CA -0.765 54.524 55.300 -0.019 0.000 0.936 271 M CB 1.670 34.228 32.600 -0.069 0.000 1.713 271 M HN 0.459 nan 8.290 nan 0.000 0.460 272 D N 1.210 121.636 120.400 0.044 0.000 2.525 272 D HA -0.030 4.610 4.640 -0.000 0.000 0.235 272 D C 0.842 177.131 176.300 -0.018 0.000 1.137 272 D CA 0.541 54.547 54.000 0.011 0.000 0.868 272 D CB 1.273 42.056 40.800 -0.028 0.000 1.180 272 D HN 0.857 nan 8.370 nan 0.000 0.465 273 G N 3.231 111.973 108.800 -0.095 0.000 2.598 273 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 273 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 273 G C 1.249 176.107 174.900 -0.070 0.000 1.131 273 G CA 0.273 45.348 45.100 -0.042 0.000 0.785 273 G HN 0.592 nan 8.290 nan 0.000 0.539 274 E N -0.939 119.184 120.200 -0.129 0.000 2.372 274 E HA 0.025 4.375 4.350 -0.000 0.000 0.201 274 E C 2.309 178.812 176.600 -0.162 0.000 0.938 274 E CA 0.915 57.171 56.400 -0.239 0.000 0.944 274 E CB 0.582 30.205 29.700 -0.128 0.000 0.937 274 E HN 0.450 nan 8.360 nan 0.000 0.495 275 T N -2.245 112.303 114.554 -0.011 0.000 3.003 275 T HA 0.236 4.586 4.350 -0.000 0.000 0.261 275 T C 1.070 175.938 174.700 0.280 0.000 1.003 275 T CA -0.274 61.909 62.100 0.137 0.000 0.917 275 T CB 0.280 69.316 68.868 0.280 0.000 1.084 275 T HN 0.121 nan 8.240 nan 0.000 0.522 276 L N -0.024 121.274 121.223 0.125 0.000 4.884 276 L HA -0.175 4.164 4.340 -0.000 0.000 0.430 276 L C 0.426 177.114 176.870 -0.303 0.000 1.087 276 L CA 0.604 55.476 54.840 0.054 0.000 1.033 276 L CB -1.916 40.245 42.059 0.169 0.000 2.030 276 L HN 0.540 nan 8.230 nan 0.000 0.762 277 E N 3.408 123.340 120.200 -0.446 0.000 2.558 277 E HA 0.014 4.364 4.350 -0.000 0.000 0.255 277 E C -1.895 174.336 176.600 -0.615 0.000 0.968 277 E CA -1.228 54.519 56.400 -1.089 0.000 0.939 277 E CB 0.647 29.970 29.700 -0.627 0.000 0.921 277 E HN 0.069 nan 8.360 nan 0.000 0.477 278 P HA 0.022 nan 4.420 nan 0.000 0.276 278 P C -0.609 176.555 177.300 -0.227 0.000 1.264 278 P CA -0.082 62.825 63.100 -0.322 0.000 0.769 278 P CB 1.120 32.657 31.700 -0.272 0.000 0.840 279 K N 1.908 122.228 120.400 -0.133 0.000 2.329 279 K HA 0.156 4.476 4.320 -0.000 0.000 0.198 279 K C 0.484 177.038 176.600 -0.077 0.000 1.085 279 K CA 0.735 56.975 56.287 -0.079 0.000 0.961 279 K CB 0.318 32.819 32.500 0.002 0.000 0.971 279 K HN 0.270 nan 8.250 nan 0.000 0.502 280 K N 0.983 121.330 120.400 -0.087 0.000 2.615 280 K HA 0.411 4.731 4.320 -0.000 0.000 0.249 280 K C -1.465 175.059 176.600 -0.128 0.000 0.977 280 K CA -0.108 56.122 56.287 -0.094 0.000 0.833 280 K CB 0.941 33.395 32.500 -0.078 0.000 1.208 280 K HN -0.115 nan 8.250 nan 0.000 0.443 281 I N 3.900 124.378 120.570 -0.153 0.000 2.359 281 I HA 0.377 4.547 4.170 -0.000 0.000 0.294 281 I C -0.252 175.679 176.117 -0.311 0.000 0.987 281 I CA -0.778 60.395 61.300 -0.211 0.000 1.225 281 I CB 1.627 39.535 38.000 -0.153 0.000 1.366 281 I HN 0.344 nan 8.210 nan 0.000 0.466 282 Q N 4.342 123.807 119.800 -0.558 0.000 2.321 282 Q HA 0.320 4.660 4.340 -0.000 0.000 0.270 282 Q C -0.624 175.060 176.000 -0.528 0.000 1.032 282 Q CA -0.514 54.915 55.803 -0.623 0.000 0.784 282 Q CB 2.416 30.549 28.738 -1.009 0.000 1.264 282 Q HN 0.690 nan 8.270 nan 0.000 0.448 283 S N 0.885 116.411 115.700 -0.289 0.000 2.564 283 S HA 0.179 4.649 4.470 -0.000 0.000 0.278 283 S C 0.904 175.423 174.600 -0.134 0.000 1.333 283 S CA 0.248 58.334 58.200 -0.191 0.000 1.048 283 S CB 0.430 63.560 63.200 -0.117 0.000 0.900 283 S HN 0.661 nan 8.310 nan 0.000 0.505 284 T N 1.898 116.401 114.554 -0.085 0.000 3.054 284 T HA 0.321 4.671 4.350 -0.000 0.000 0.255 284 T C 0.523 175.207 174.700 -0.027 0.000 1.035 284 T CA -0.397 61.691 62.100 -0.021 0.000 0.941 284 T CB -0.116 68.762 68.868 0.016 0.000 1.026 284 T HN 0.584 nan 8.240 nan 0.000 0.533 285 R N 1.024 121.510 120.500 -0.024 0.000 2.623 285 R HA 0.534 4.874 4.340 -0.000 0.000 0.271 285 R C 0.766 177.096 176.300 0.051 0.000 1.043 285 R CA 0.806 56.906 56.100 0.001 0.000 1.083 285 R CB 0.377 30.738 30.300 0.101 0.000 0.974 285 R HN 0.562 nan 8.270 nan 0.000 0.436 286 G N 1.333 110.122 108.800 -0.017 0.000 2.335 286 G HA2 0.181 4.141 3.960 -0.000 0.000 0.291 286 G HA3 0.181 4.141 3.960 -0.000 0.000 0.291 286 G C -1.502 173.411 174.900 0.021 0.000 1.261 286 G CA -0.931 44.221 45.100 0.086 0.000 0.871 286 G HN 0.233 nan 8.290 nan 0.000 0.491 287 M N 1.862 121.506 119.600 0.072 0.000 2.277 287 M HA 0.403 4.883 4.480 -0.000 0.000 0.350 287 M C 0.974 177.287 176.300 0.023 0.000 1.180 287 M CA -0.671 54.665 55.300 0.060 0.000 1.103 287 M CB 0.549 33.195 32.600 0.076 0.000 1.577 287 M HN 0.817 nan 8.290 nan 0.000 0.459 288 T N -0.162 114.395 114.554 0.005 0.000 2.900 288 T HA 0.104 4.454 4.350 -0.000 0.000 0.307 288 T C 1.005 175.694 174.700 -0.019 0.000 1.065 288 T CA -0.270 61.818 62.100 -0.021 0.000 1.105 288 T CB 0.249 69.079 68.868 -0.063 0.000 0.979 288 T HN 0.687 nan 8.240 nan 0.000 0.544 289 Y N 1.636 121.909 120.300 -0.045 0.000 2.263 289 Y HA -0.025 4.525 4.550 -0.000 0.000 0.292 289 Y C 1.748 177.636 175.900 -0.019 0.000 1.130 289 Y CA 1.458 59.540 58.100 -0.031 0.000 1.179 289 Y CB -0.595 37.842 38.460 -0.039 0.000 0.998 289 Y HN 0.677 nan 8.280 nan 0.000 0.532 290 D N -0.002 119.681 120.400 -1.196 0.000 2.202 290 D HA -0.103 4.537 4.640 -0.000 0.000 0.214 290 D C 1.502 177.587 176.300 -0.359 0.000 0.967 290 D CA 1.379 54.848 54.000 -0.884 0.000 0.871 290 D CB -0.749 39.452 40.800 -0.998 0.000 1.020 290 D HN 0.585 nan 8.370 nan 0.000 0.474 291 E N -0.115 119.922 120.200 -0.272 0.000 2.385 291 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 291 E C -0.126 176.424 176.600 -0.082 0.000 1.013 291 E CA -0.007 56.313 56.400 -0.134 0.000 0.866 291 E CB 0.062 29.707 29.700 -0.090 0.000 0.832 291 E HN 0.208 nan 8.360 nan 0.000 0.500 292 Q N 1.041 120.793 119.800 -0.080 0.000 2.459 292 Q HA -0.159 4.181 4.340 -0.000 0.000 0.322 292 Q C -0.984 175.020 176.000 0.008 0.000 1.427 292 Q CA 0.540 56.328 55.803 -0.024 0.000 0.861 292 Q CB -1.012 27.717 28.738 -0.015 0.000 1.137 292 Q HN 0.189 nan 8.270 nan 0.000 0.394 293 E N 0.393 120.603 120.200 0.017 0.000 2.256 293 E HA 0.273 4.623 4.350 -0.000 0.000 0.267 293 E C -0.769 175.886 176.600 0.092 0.000 0.892 293 E CA -0.974 55.457 56.400 0.051 0.000 0.775 293 E CB 1.005 30.721 29.700 0.027 0.000 1.207 293 E HN 0.243 nan 8.360 nan 0.000 0.420 294 Y N 2.554 122.863 120.300 0.015 0.000 2.511 294 Y HA 0.043 4.593 4.550 -0.000 0.000 0.332 294 Y C -0.300 175.629 175.900 0.049 0.000 1.177 294 Y CA 0.581 58.700 58.100 0.031 0.000 1.422 294 Y CB 0.418 38.885 38.460 0.012 0.000 1.271 294 Y HN 0.379 nan 8.280 nan 0.000 0.550 295 H N 8.602 127.152 119.070 -0.867 0.000 2.906 295 H HA 0.278 4.834 4.556 -0.000 0.000 0.324 295 H C -2.270 172.546 175.328 -0.853 0.000 0.973 295 H CA -2.411 53.280 56.048 -0.596 0.000 1.321 295 H CB 2.226 31.805 29.762 -0.305 0.000 1.535 295 H HN 0.512 nan 8.280 nan 0.000 0.518 296 P HA 0.026 nan 4.420 nan 0.000 0.237 296 P C -0.356 177.002 177.300 0.098 0.000 1.178 296 P CA 0.604 63.601 63.100 -0.171 0.000 0.766 296 P CB 0.666 32.407 31.700 0.068 0.000 0.876 297 E N -0.060 120.315 120.200 0.292 0.000 3.832 297 E HA 0.235 4.585 4.350 -0.000 0.000 0.250 297 E C -2.719 173.976 176.600 0.159 0.000 1.215 297 E CA -1.557 55.021 56.400 0.297 0.000 1.179 297 E CB 0.876 30.807 29.700 0.384 0.000 1.270 297 E HN 0.209 nan 8.360 nan 0.000 0.405 298 P HA 0.140 nan 4.420 nan 0.000 0.284 298 P C -0.561 176.688 177.300 -0.086 0.000 1.343 298 P CA -0.279 62.711 63.100 -0.184 0.000 0.826 298 P CB 0.443 32.027 31.700 -0.194 0.000 0.956 299 R N 1.875 122.315 120.500 -0.100 0.000 2.543 299 R HA 0.296 4.636 4.340 -0.000 0.000 0.277 299 R C -0.098 176.210 176.300 0.013 0.000 1.074 299 R CA -0.725 55.342 56.100 -0.055 0.000 1.076 299 R CB 0.487 30.589 30.300 -0.330 0.000 0.993 299 R HN 0.224 nan 8.270 nan 0.000 0.459 300 V N 2.974 122.965 119.914 0.128 0.000 2.530 300 V HA 0.228 4.348 4.120 -0.000 0.000 0.282 300 V C 0.706 176.917 176.094 0.194 0.000 1.048 300 V CA 0.253 62.624 62.300 0.119 0.000 0.997 300 V CB 0.984 32.873 31.823 0.110 0.000 0.987 300 V HN 1.009 nan 8.190 nan 0.000 0.477 301 A N 4.815 127.702 122.820 0.112 0.000 3.658 301 A HA 0.900 5.220 4.320 -0.000 0.000 0.188 301 A C 0.870 178.463 177.584 0.015 0.000 1.601 301 A CA 0.172 52.273 52.037 0.107 0.000 1.765 301 A CB -0.448 18.590 19.000 0.064 0.000 1.546 301 A HN 1.103 nan 8.150 nan 0.000 0.555 302 A N -0.438 122.362 122.820 -0.034 0.000 2.498 302 A HA 0.490 4.810 4.320 -0.000 0.000 0.239 302 A C -0.324 177.231 177.584 -0.049 0.000 1.068 302 A CA 0.383 52.408 52.037 -0.021 0.000 0.766 302 A CB -0.606 18.421 19.000 0.044 0.000 1.003 302 A HN 0.498 nan 8.150 nan 0.000 0.497 303 I N 2.336 122.844 120.570 -0.103 0.000 2.418 303 I HA 0.363 4.533 4.170 -0.000 0.000 0.287 303 I C -0.725 175.289 176.117 -0.171 0.000 1.008 303 I CA -0.338 60.853 61.300 -0.183 0.000 1.104 303 I CB 1.477 39.326 38.000 -0.252 0.000 1.264 303 I HN 0.473 nan 8.210 nan 0.000 0.438 304 L N 5.095 126.184 121.223 -0.222 0.000 2.267 304 L HA 0.906 5.246 4.340 -0.000 0.000 0.264 304 L C -0.190 176.635 176.870 -0.076 0.000 1.021 304 L CA -0.536 54.209 54.840 -0.159 0.000 0.861 304 L CB 1.714 43.642 42.059 -0.218 0.000 1.443 304 L HN 0.653 nan 8.230 nan 0.000 0.475 305 A N -0.168 122.629 122.820 -0.039 0.000 2.374 305 A HA 0.670 4.990 4.320 -0.000 0.000 0.305 305 A C -0.723 176.778 177.584 -0.139 0.000 1.053 305 A CA -0.451 51.566 52.037 -0.034 0.000 0.726 305 A CB 1.543 20.536 19.000 -0.013 0.000 1.229 305 A HN 0.477 nan 8.150 nan 0.000 0.431 306 S N 0.409 116.006 115.700 -0.173 0.000 2.576 306 S HA 0.232 4.702 4.470 -0.000 0.000 0.276 306 S C 0.460 174.971 174.600 -0.148 0.000 1.339 306 S CA -0.200 57.937 58.200 -0.106 0.000 1.039 306 S CB 0.062 63.172 63.200 -0.149 0.000 0.902 306 S HN 0.701 nan 8.310 nan 0.000 0.516 307 H N 3.198 122.278 119.070 0.017 0.000 2.652 307 H HA 0.136 4.692 4.556 -0.000 0.000 0.274 307 H C 0.149 175.449 175.328 -0.048 0.000 1.021 307 H CA 0.295 56.346 56.048 0.006 0.000 1.187 307 H CB 0.348 30.138 29.762 0.046 0.000 1.505 307 H HN 0.702 nan 8.280 nan 0.000 0.530 308 Y N 0.610 120.914 120.300 0.005 0.000 2.522 308 Y HA 0.207 4.757 4.550 -0.000 0.000 0.277 308 Y C 0.829 176.677 175.900 -0.087 0.000 1.104 308 Y CA 0.401 58.480 58.100 -0.036 0.000 1.260 308 Y CB 0.855 39.274 38.460 -0.068 0.000 1.151 308 Y HN -0.124 nan 8.280 nan 0.000 0.539 309 R N -0.292 120.192 120.500 -0.027 0.000 2.836 309 R HA 0.316 4.656 4.340 -0.000 0.000 0.269 309 R C -2.722 173.351 176.300 -0.378 0.000 1.010 309 R CA -2.098 53.897 56.100 -0.176 0.000 0.930 309 R CB 1.300 31.489 30.300 -0.185 0.000 1.218 309 R HN -0.299 nan 8.270 nan 0.000 0.473 310 P HA 0.105 nan 4.420 nan 0.000 0.237 310 P C -1.248 175.030 177.300 -1.702 0.000 1.788 310 P CA 0.257 62.607 63.100 -1.250 0.000 1.061 310 P CB 0.163 30.965 31.700 -1.497 0.000 1.967 311 E N 0.870 120.420 120.200 -1.083 0.000 2.343 311 E HA 0.486 4.836 4.350 -0.000 0.000 0.270 311 E C -0.847 175.446 176.600 -0.511 0.000 0.895 311 E CA -0.826 55.106 56.400 -0.781 0.000 0.767 311 E CB 1.388 30.823 29.700 -0.441 0.000 1.248 311 E HN 0.068 nan 8.360 nan 0.000 0.440 312 F N 1.189 121.032 119.950 -0.177 0.000 2.397 312 F HA 0.444 4.971 4.527 -0.000 0.000 0.331 312 F C 0.299 175.922 175.800 -0.296 0.000 1.090 312 F CA -0.701 57.184 58.000 -0.192 0.000 1.065 312 F CB 0.836 39.714 39.000 -0.204 0.000 1.184 312 F HN 0.237 nan 8.300 nan 0.000 0.499 313 I N 3.474 123.963 120.570 -0.135 0.000 2.390 313 I HA 0.321 4.491 4.170 -0.000 0.000 0.283 313 I C -1.148 174.758 176.117 -0.351 0.000 1.016 313 I CA -0.592 60.506 61.300 -0.336 0.000 1.151 313 I CB 1.116 38.759 38.000 -0.596 0.000 1.293 313 I HN 0.115 nan 8.210 nan 0.000 0.458 314 V N 5.715 125.458 119.914 -0.286 0.000 2.384 314 V HA 0.333 4.453 4.120 -0.000 0.000 0.287 314 V C 0.022 176.042 176.094 -0.123 0.000 1.020 314 V CA -0.792 61.360 62.300 -0.248 0.000 0.850 314 V CB 1.504 33.098 31.823 -0.383 0.000 0.987 314 V HN 0.575 nan 8.190 nan 0.000 0.436 315 N N 3.205 121.876 118.700 -0.048 0.000 2.444 315 N HA 0.382 5.122 4.740 -0.000 0.000 0.271 315 N C -0.609 174.902 175.510 0.001 0.000 1.069 315 N CA -0.124 52.942 53.050 0.027 0.000 0.965 315 N CB 1.843 40.384 38.487 0.090 0.000 1.092 315 N HN 0.432 nan 8.380 nan 0.000 0.476 316 V N 3.759 123.664 119.914 -0.014 0.000 2.313 316 V HA 0.170 4.290 4.120 -0.000 0.000 0.278 316 V C 1.560 177.614 176.094 -0.066 0.000 1.017 316 V CA -0.670 61.612 62.300 -0.030 0.000 0.823 316 V CB 1.347 33.152 31.823 -0.030 0.000 1.010 316 V HN 0.676 nan 8.190 nan 0.000 0.443 317 K N 3.512 123.869 120.400 -0.071 0.000 1.969 317 K HA -0.197 4.123 4.320 -0.000 0.000 0.216 317 K C 1.607 178.063 176.600 -0.240 0.000 1.048 317 K CA 2.220 58.447 56.287 -0.100 0.000 0.948 317 K CB 0.193 32.659 32.500 -0.056 0.000 0.726 317 K HN 0.692 nan 8.250 nan 0.000 0.442 318 E N -0.387 119.603 120.200 -0.350 0.000 2.208 318 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 318 E C 1.723 178.042 176.600 -0.469 0.000 0.988 318 E CA 1.677 57.746 56.400 -0.551 0.000 0.828 318 E CB 0.040 29.225 29.700 -0.859 0.000 0.763 318 E HN 0.604 nan 8.360 nan 0.000 0.478 319 T N -3.390 110.974 114.554 -0.318 0.000 3.081 319 T HA 0.221 4.571 4.350 -0.000 0.000 0.255 319 T C 1.473 176.176 174.700 0.006 0.000 1.113 319 T CA 0.185 62.199 62.100 -0.144 0.000 1.082 319 T CB 0.208 69.013 68.868 -0.106 0.000 0.939 319 T HN 0.205 nan 8.240 nan 0.000 0.506 320 G N 2.135 110.899 108.800 -0.061 0.000 2.298 320 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.287 320 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.287 320 G C -0.371 174.465 174.900 -0.108 0.000 1.075 320 G CA -0.296 44.766 45.100 -0.063 0.000 0.960 320 G HN 0.547 nan 8.290 nan 0.000 0.502 321 K N -0.173 120.185 120.400 -0.069 0.000 2.324 321 K HA 0.657 4.977 4.320 -0.000 0.000 0.253 321 K C 0.119 176.690 176.600 -0.048 0.000 0.932 321 K CA -0.869 55.384 56.287 -0.056 0.000 0.799 321 K CB 2.190 34.677 32.500 -0.021 0.000 1.154 321 K HN 0.256 nan 8.250 nan 0.000 0.425 322 I N 4.056 124.597 120.570 -0.049 0.000 2.362 322 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 322 I C -0.278 175.807 176.117 -0.053 0.000 0.994 322 I CA -0.824 60.463 61.300 -0.022 0.000 1.158 322 I CB 1.020 39.041 38.000 0.035 0.000 1.315 322 I HN 0.223 nan 8.210 nan 0.000 0.451 323 L N 7.076 128.249 121.223 -0.083 0.000 2.295 323 L HA 0.540 4.880 4.340 -0.000 0.000 0.285 323 L C -0.618 176.164 176.870 -0.146 0.000 1.035 323 L CA -0.693 54.087 54.840 -0.100 0.000 0.806 323 L CB 1.292 43.292 42.059 -0.097 0.000 1.214 323 L HN 0.413 nan 8.230 nan 0.000 0.426 324 L N 4.519 125.665 121.223 -0.128 0.000 2.276 324 L HA 0.465 4.805 4.340 -0.000 0.000 0.286 324 L C -0.589 176.189 176.870 -0.154 0.000 1.024 324 L CA -0.639 54.106 54.840 -0.158 0.000 0.826 324 L CB 1.657 43.626 42.059 -0.151 0.000 1.211 324 L HN 0.318 nan 8.230 nan 0.000 0.422 325 V N 2.021 121.835 119.914 -0.167 0.000 2.357 325 V HA 0.203 4.323 4.120 -0.000 0.000 0.284 325 V C -0.136 175.820 176.094 -0.231 0.000 1.018 325 V CA -0.583 61.636 62.300 -0.134 0.000 0.841 325 V CB 1.762 33.536 31.823 -0.082 0.000 0.991 325 V HN 0.598 nan 8.190 nan 0.000 0.437 326 D N 4.276 124.519 120.400 -0.261 0.000 2.316 326 D HA 0.123 4.763 4.640 -0.000 0.000 0.245 326 D C 0.334 176.399 176.300 -0.391 0.000 1.171 326 D CA -0.362 53.376 54.000 -0.437 0.000 0.856 326 D CB 1.198 41.798 40.800 -0.333 0.000 1.090 326 D HN 0.633 nan 8.370 nan 0.000 0.476 327 Y N 1.417 121.435 120.300 -0.471 0.000 2.495 327 Y HA 0.235 4.785 4.550 -0.000 0.000 0.293 327 Y C 1.608 177.238 175.900 -0.449 0.000 1.186 327 Y CA -0.491 57.303 58.100 -0.510 0.000 1.266 327 Y CB -0.522 37.524 38.460 -0.689 0.000 1.101 327 Y HN 0.110 nan 8.280 nan 0.000 0.517 328 T N -0.100 114.230 114.554 -0.373 0.000 2.867 328 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 328 T C 0.072 174.816 174.700 0.072 0.000 1.057 328 T CA 1.883 63.900 62.100 -0.138 0.000 1.136 328 T CB -0.167 68.628 68.868 -0.122 0.000 0.874 328 T HN 0.406 nan 8.240 nan 0.000 0.466 329 D N -0.196 120.200 120.400 -0.008 0.000 2.470 329 D HA 0.212 4.852 4.640 -0.000 0.000 0.233 329 D C 0.431 176.725 176.300 -0.010 0.000 1.372 329 D CA -0.328 53.689 54.000 0.028 0.000 0.994 329 D CB 0.622 41.434 40.800 0.020 0.000 1.377 329 D HN 0.036 nan 8.370 nan 0.000 0.586 330 L N 1.921 123.145 121.223 0.001 0.000 2.478 330 L HA 0.064 4.404 4.340 -0.000 0.000 0.223 330 L C 1.013 177.872 176.870 -0.020 0.000 1.140 330 L CA 0.518 55.341 54.840 -0.028 0.000 0.842 330 L CB 0.145 42.180 42.059 -0.040 0.000 0.953 330 L HN 0.300 nan 8.230 nan 0.000 0.452 331 D N -0.401 119.996 120.400 -0.005 0.000 2.262 331 D HA -0.008 4.632 4.640 -0.000 0.000 0.212 331 D C 0.699 176.991 176.300 -0.013 0.000 0.964 331 D CA 0.744 54.738 54.000 -0.009 0.000 0.875 331 D CB 0.131 40.931 40.800 0.001 0.000 0.996 331 D HN 0.230 nan 8.370 nan 0.000 0.497 332 N N 1.484 120.177 118.700 -0.011 0.000 3.194 332 N HA 0.127 4.867 4.740 -0.000 0.000 0.271 332 N C -0.548 174.946 175.510 -0.026 0.000 1.308 332 N CA -0.257 52.783 53.050 -0.016 0.000 1.042 332 N CB 1.376 39.856 38.487 -0.011 0.000 1.310 332 N HN 0.069 nan 8.380 nan 0.000 0.502 333 L N 1.649 122.855 121.223 -0.029 0.000 2.369 333 L HA 0.170 4.510 4.340 -0.000 0.000 0.279 333 L C 0.059 176.904 176.870 -0.041 0.000 1.108 333 L CA 0.051 54.869 54.840 -0.037 0.000 0.852 333 L CB 0.154 42.196 42.059 -0.028 0.000 1.169 333 L HN 0.084 nan 8.230 nan 0.000 0.452 334 K N 3.531 123.894 120.400 -0.062 0.000 2.172 334 K HA 0.641 4.961 4.320 -0.000 0.000 0.276 334 K C -0.295 176.260 176.600 -0.075 0.000 1.013 334 K CA -0.424 55.823 56.287 -0.068 0.000 0.913 334 K CB 1.264 33.710 32.500 -0.089 0.000 1.055 334 K HN 0.755 nan 8.250 nan 0.000 0.461 335 T N -1.592 112.927 114.554 -0.058 0.000 2.868 335 T HA 0.404 4.754 4.350 -0.000 0.000 0.306 335 T C -0.635 174.031 174.700 -0.056 0.000 1.224 335 T CA -0.890 61.175 62.100 -0.057 0.000 1.012 335 T CB 1.746 70.605 68.868 -0.016 0.000 1.221 335 T HN 0.300 nan 8.240 nan 0.000 0.499 336 T N 1.892 116.407 114.554 -0.066 0.000 2.786 336 T HA 0.487 4.837 4.350 -0.000 0.000 0.283 336 T C -0.740 173.931 174.700 -0.049 0.000 0.992 336 T CA -0.645 61.420 62.100 -0.058 0.000 0.954 336 T CB 1.351 70.176 68.868 -0.072 0.000 0.934 336 T HN 0.804 nan 8.240 nan 0.000 0.440 337 E N 4.597 124.778 120.200 -0.032 0.000 2.063 337 E HA 0.323 4.673 4.350 -0.000 0.000 0.265 337 E C -0.775 175.808 176.600 -0.027 0.000 0.919 337 E CA -0.508 55.878 56.400 -0.023 0.000 0.756 337 E CB 0.419 30.117 29.700 -0.004 0.000 1.120 337 E HN 0.588 nan 8.360 nan 0.000 0.414 338 I N 3.489 124.034 120.570 -0.042 0.000 2.312 338 I HA 0.106 4.276 4.170 -0.000 0.000 0.291 338 I C 0.221 176.294 176.117 -0.074 0.000 1.031 338 I CA -0.526 60.741 61.300 -0.056 0.000 1.293 338 I CB 1.565 39.524 38.000 -0.068 0.000 1.403 338 I HN 0.384 nan 8.210 nan 0.000 0.484 339 S N 5.213 120.875 115.700 -0.064 0.000 2.488 339 S HA 0.405 4.875 4.470 -0.000 0.000 0.278 339 S C 0.565 174.991 174.600 -0.290 0.000 1.259 339 S CA -0.230 57.913 58.200 -0.097 0.000 1.061 339 S CB 1.083 64.317 63.200 0.057 0.000 0.910 339 S HN 0.805 nan 8.310 nan 0.000 0.491 340 A N 3.554 126.048 122.820 -0.544 0.000 2.290 340 A HA 0.806 5.126 4.320 -0.000 0.000 0.204 340 A C -0.204 176.861 177.584 -0.865 0.000 2.001 340 A CA -0.199 51.524 52.037 -0.523 0.000 1.643 340 A CB 0.156 18.974 19.000 -0.303 0.000 1.293 340 A HN 0.587 nan 8.150 nan 0.000 0.474 341 E N -0.163 119.675 120.200 -0.604 0.000 2.366 341 E HA 0.534 4.884 4.350 -0.000 0.000 0.278 341 E C -1.070 175.464 176.600 -0.110 0.000 0.923 341 E CA -0.494 55.680 56.400 -0.376 0.000 0.761 341 E CB 1.285 30.918 29.700 -0.112 0.000 1.231 341 E HN 0.430 nan 8.360 nan 0.000 0.443 342 R N 2.127 122.703 120.500 0.126 0.000 2.738 342 R HA 0.355 4.695 4.340 -0.000 0.000 0.268 342 R C -0.293 175.997 176.300 -0.016 0.000 1.062 342 R CA 0.327 56.382 56.100 -0.075 0.000 1.158 342 R CB 0.116 30.261 30.300 -0.259 0.000 1.046 342 R HN 0.691 nan 8.270 nan 0.000 0.493 343 F N -1.584 118.380 119.950 0.023 0.000 2.737 343 F HA -0.205 4.322 4.527 -0.000 0.000 0.288 343 F C -0.085 175.741 175.800 0.045 0.000 0.708 343 F CA -0.212 57.803 58.000 0.026 0.000 1.483 343 F CB -2.006 37.010 39.000 0.026 0.000 1.745 343 F HN 0.374 nan 8.300 nan 0.000 0.354 344 L N 0.463 121.756 121.223 0.116 0.000 2.525 344 L HA 0.135 4.475 4.340 -0.000 0.000 0.278 344 L C 1.338 178.321 176.870 0.188 0.000 1.218 344 L CA 0.803 55.702 54.840 0.098 0.000 0.878 344 L CB 0.486 42.565 42.059 0.033 0.000 1.127 344 L HN 0.347 nan 8.230 nan 0.000 0.492 345 H N 0.866 119.976 119.070 0.066 0.000 4.819 345 H HA 0.202 4.758 4.556 -0.000 0.000 0.100 345 H C -0.608 174.772 175.328 0.087 0.000 1.259 345 H CA 0.214 56.317 56.048 0.092 0.000 0.709 345 H CB 0.525 30.344 29.762 0.094 0.000 1.480 345 H HN 0.724 nan 8.280 nan 0.000 0.183 346 D N -0.046 120.375 120.400 0.035 0.000 2.442 346 D HA 0.568 5.207 4.640 -0.000 0.000 0.254 346 D C 0.356 176.685 176.300 0.048 0.000 1.069 346 D CA -0.318 53.672 54.000 -0.017 0.000 1.017 346 D CB 1.902 42.658 40.800 -0.073 0.000 1.172 346 D HN 0.709 nan 8.370 nan 0.000 0.561 347 G N -2.578 106.297 108.800 0.126 0.000 2.322 347 G HA2 0.595 4.555 3.960 -0.000 0.000 0.295 347 G HA3 0.595 4.555 3.960 -0.000 0.000 0.295 347 G C -1.208 173.876 174.900 0.308 0.000 1.369 347 G CA -0.362 44.819 45.100 0.134 0.000 0.821 347 G HN 0.840 nan 8.290 nan 0.000 0.536 348 G N -1.406 107.586 108.800 0.318 0.000 2.684 348 G HA2 0.666 4.626 3.960 -0.000 0.000 0.290 348 G HA3 0.666 4.626 3.960 -0.000 0.000 0.290 348 G C -0.969 174.218 174.900 0.479 0.000 1.425 348 G CA -0.893 44.508 45.100 0.502 0.000 0.822 348 G HN 0.700 nan 8.290 nan 0.000 0.482 349 L N 1.448 123.042 121.223 0.617 0.000 2.375 349 L HA 0.296 4.636 4.340 -0.000 0.000 0.271 349 L C 0.795 177.899 176.870 0.389 0.000 1.107 349 L CA -1.030 54.052 54.840 0.403 0.000 0.806 349 L CB 0.965 43.204 42.059 0.300 0.000 1.146 349 L HN 0.763 nan 8.230 nan 0.000 0.447 350 D N 1.544 122.117 120.400 0.287 0.000 2.346 350 D HA -0.036 4.604 4.640 -0.000 0.000 0.249 350 D C 1.158 177.600 176.300 0.236 0.000 1.308 350 D CA 0.073 54.252 54.000 0.298 0.000 0.987 350 D CB 0.764 41.753 40.800 0.316 0.000 1.114 350 D HN 0.621 nan 8.370 nan 0.000 0.529 351 G N -0.758 108.137 108.800 0.159 0.000 2.450 351 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 351 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 351 G C 1.479 176.326 174.900 -0.088 0.000 1.130 351 G CA 1.319 46.429 45.100 0.016 0.000 0.760 351 G HN 0.596 nan 8.290 nan 0.000 0.557 352 S N -1.175 114.547 115.700 0.037 0.000 2.593 352 S HA 0.077 4.547 4.470 -0.000 0.000 0.217 352 S C 0.888 175.544 174.600 0.094 0.000 0.966 352 S CA 0.625 58.844 58.200 0.030 0.000 0.914 352 S CB -0.543 62.745 63.200 0.146 0.000 0.776 352 S HN 0.670 nan 8.310 nan 0.000 0.523 353 H N -0.234 118.861 119.070 0.042 0.000 2.899 353 H HA -0.162 4.394 4.556 -0.000 0.000 0.282 353 H C 1.300 176.704 175.328 0.127 0.000 1.198 353 H CA 0.804 56.851 56.048 -0.001 0.000 1.140 353 H CB -0.989 28.614 29.762 -0.266 0.000 1.317 353 H HN 0.519 nan 8.280 nan 0.000 0.375 354 R N -0.103 120.469 120.500 0.119 0.000 2.191 354 R HA 0.122 4.462 4.340 -0.000 0.000 0.196 354 R C -0.309 175.710 176.300 -0.468 0.000 0.991 354 R CA 0.389 56.258 56.100 -0.385 0.000 1.075 354 R CB 0.682 30.515 30.300 -0.778 0.000 1.040 354 R HN 0.150 nan 8.270 nan 0.000 0.526 355 Y N -0.239 120.071 120.300 0.016 0.000 2.377 355 Y HA 0.314 4.864 4.550 -0.000 0.000 0.339 355 Y C -0.739 175.169 175.900 0.014 0.000 1.011 355 Y CA -1.313 56.763 58.100 -0.039 0.000 1.093 355 Y CB 1.315 39.743 38.460 -0.052 0.000 1.201 355 Y HN -0.096 nan 8.280 nan 0.000 0.455 356 F N 5.043 124.953 119.950 -0.067 0.000 2.405 356 F HA 0.607 5.134 4.527 -0.000 0.000 0.355 356 F C -0.881 174.767 175.800 -0.254 0.000 1.121 356 F CA -1.801 56.127 58.000 -0.119 0.000 1.112 356 F CB 0.223 39.157 39.000 -0.110 0.000 1.126 356 F HN 0.323 nan 8.300 nan 0.000 0.481 357 I N 5.838 125.987 120.570 -0.701 0.000 2.382 357 I HA 0.332 4.502 4.170 -0.000 0.000 0.286 357 I C -0.210 175.262 176.117 -1.075 0.000 1.002 357 I CA -0.447 60.261 61.300 -0.987 0.000 1.135 357 I CB 1.836 39.024 38.000 -1.353 0.000 1.288 357 I HN 0.571 nan 8.210 nan 0.000 0.448 358 T N 4.573 118.572 114.554 -0.924 0.000 2.909 358 T HA 0.741 5.091 4.350 -0.000 0.000 0.299 358 T C -0.829 173.696 174.700 -0.293 0.000 1.073 358 T CA -0.485 61.233 62.100 -0.636 0.000 0.999 358 T CB 1.550 69.896 68.868 -0.870 0.000 1.098 358 T HN 0.620 nan 8.240 nan 0.000 0.477 359 A N 2.521 125.280 122.820 -0.101 0.000 2.320 359 A HA 0.715 5.035 4.320 -0.000 0.000 0.287 359 A C 0.574 178.171 177.584 0.021 0.000 1.181 359 A CA -0.289 51.740 52.037 -0.013 0.000 0.831 359 A CB 0.130 19.152 19.000 0.037 0.000 1.102 359 A HN 1.192 nan 8.150 nan 0.000 0.513 360 A N 3.438 126.274 122.820 0.027 0.000 3.016 360 A HA 0.370 4.690 4.320 -0.000 0.000 0.303 360 A C 1.086 178.740 177.584 0.117 0.000 1.507 360 A CA -0.290 51.804 52.037 0.095 0.000 1.196 360 A CB -0.776 18.264 19.000 0.067 0.000 1.169 360 A HN 1.001 nan 8.150 nan 0.000 0.544 361 N N 2.402 121.171 118.700 0.115 0.000 2.061 361 N HA -0.231 4.509 4.740 -0.000 0.000 0.193 361 N C 1.398 176.896 175.510 -0.021 0.000 1.030 361 N CA 2.212 55.294 53.050 0.052 0.000 0.856 361 N CB -0.503 38.008 38.487 0.040 0.000 1.023 361 N HN 0.465 nan 8.380 nan 0.000 0.424 362 A N -0.057 122.682 122.820 -0.136 0.000 2.121 362 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 362 A C 2.013 179.456 177.584 -0.235 0.000 1.154 362 A CA 0.704 52.519 52.037 -0.370 0.000 0.679 362 A CB -0.335 18.028 19.000 -1.061 0.000 0.795 362 A HN 0.375 nan 8.150 nan 0.000 0.458 363 R N -0.675 119.791 120.500 -0.056 0.000 2.393 363 R HA 0.092 4.432 4.340 -0.000 0.000 0.244 363 R C -0.323 175.998 176.300 0.035 0.000 0.920 363 R CA 0.063 56.178 56.100 0.025 0.000 1.076 363 R CB 0.152 30.535 30.300 0.138 0.000 1.119 363 R HN 0.435 nan 8.270 nan 0.000 0.524 364 N N 1.631 120.352 118.700 0.035 0.000 2.735 364 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 364 N C -0.959 174.592 175.510 0.067 0.000 1.083 364 N CA 1.326 54.415 53.050 0.065 0.000 0.703 364 N CB -0.620 37.899 38.487 0.054 0.000 1.005 364 N HN 0.195 nan 8.380 nan 0.000 0.550 365 K N 0.334 120.765 120.400 0.051 0.000 2.281 365 K HA 0.572 4.892 4.320 -0.000 0.000 0.242 365 K C 0.514 177.115 176.600 0.001 0.000 0.971 365 K CA -0.610 55.693 56.287 0.027 0.000 0.834 365 K CB 1.848 34.354 32.500 0.011 0.000 1.181 365 K HN 0.038 nan 8.250 nan 0.000 0.435 366 L N 1.581 122.788 121.223 -0.025 0.000 2.307 366 L HA 0.456 4.796 4.340 -0.000 0.000 0.284 366 L C -0.433 176.335 176.870 -0.169 0.000 1.023 366 L CA -1.219 53.565 54.840 -0.093 0.000 0.810 366 L CB 1.802 43.822 42.059 -0.064 0.000 1.231 366 L HN 0.129 nan 8.230 nan 0.000 0.423 367 V N 3.922 123.680 119.914 -0.260 0.000 2.483 367 V HA 0.475 4.595 4.120 -0.000 0.000 0.295 367 V C -0.112 175.730 176.094 -0.421 0.000 1.035 367 V CA -0.645 61.478 62.300 -0.294 0.000 0.896 367 V CB 2.284 33.947 31.823 -0.267 0.000 0.986 367 V HN 0.416 nan 8.190 nan 0.000 0.447 368 V N 5.563 125.217 119.914 -0.432 0.000 2.487 368 V HA 0.529 4.649 4.120 -0.000 0.000 0.298 368 V C -0.578 175.258 176.094 -0.429 0.000 1.028 368 V CA -0.527 61.426 62.300 -0.579 0.000 0.860 368 V CB 1.780 33.012 31.823 -0.985 0.000 0.991 368 V HN 0.570 nan 8.190 nan 0.000 0.427 369 I N 3.328 123.735 120.570 -0.271 0.000 2.404 369 I HA 0.413 4.583 4.170 -0.000 0.000 0.293 369 I C -0.210 175.873 176.117 -0.056 0.000 0.992 369 I CA -0.679 60.548 61.300 -0.121 0.000 1.149 369 I CB 1.801 39.817 38.000 0.025 0.000 1.315 369 I HN 0.610 nan 8.210 nan 0.000 0.446 370 D N 3.978 124.340 120.400 -0.063 0.000 2.339 370 D HA 0.102 4.742 4.640 -0.000 0.000 0.241 370 D C 1.266 177.427 176.300 -0.231 0.000 1.183 370 D CA -0.103 53.801 54.000 -0.161 0.000 0.859 370 D CB 1.223 41.979 40.800 -0.073 0.000 1.067 370 D HN 0.693 nan 8.370 nan 0.000 0.484 371 T N 1.231 115.602 114.554 -0.305 0.000 2.995 371 T HA -0.118 4.232 4.350 -0.000 0.000 0.269 371 T C 1.601 176.155 174.700 -0.243 0.000 1.091 371 T CA 0.848 62.811 62.100 -0.228 0.000 1.128 371 T CB 0.070 68.840 68.868 -0.164 0.000 0.891 371 T HN 0.405 nan 8.240 nan 0.000 0.492 372 K N 1.158 121.324 120.400 -0.390 0.000 2.031 372 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 372 K C 2.171 178.682 176.600 -0.148 0.000 1.049 372 K CA 1.295 57.423 56.287 -0.265 0.000 0.939 372 K CB -0.019 32.236 32.500 -0.409 0.000 0.717 372 K HN 0.447 nan 8.250 nan 0.000 0.438 373 E N -0.792 119.317 120.200 -0.152 0.000 2.385 373 E HA 0.043 4.393 4.350 -0.000 0.000 0.194 373 E C 0.395 176.941 176.600 -0.089 0.000 1.013 373 E CA 0.416 56.760 56.400 -0.093 0.000 0.866 373 E CB 0.376 30.036 29.700 -0.066 0.000 0.832 373 E HN 0.593 nan 8.360 nan 0.000 0.500 374 G N 2.094 110.828 108.800 -0.110 0.000 2.256 374 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.272 374 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.272 374 G C -0.273 174.578 174.900 -0.082 0.000 1.076 374 G CA 0.488 45.529 45.100 -0.100 0.000 0.882 374 G HN 0.113 nan 8.290 nan 0.000 0.497 375 K N -1.170 119.182 120.400 -0.081 0.000 2.508 375 K HA 0.588 4.908 4.320 -0.000 0.000 0.260 375 K C -0.276 176.272 176.600 -0.087 0.000 0.949 375 K CA -1.249 54.996 56.287 -0.071 0.000 0.834 375 K CB 2.255 34.722 32.500 -0.055 0.000 1.365 375 K HN 0.203 nan 8.250 nan 0.000 0.437 376 L N 2.020 123.187 121.223 -0.094 0.000 2.490 376 L HA 0.041 4.381 4.340 -0.000 0.000 0.274 376 L C 0.213 176.999 176.870 -0.140 0.000 1.201 376 L CA 0.623 55.385 54.840 -0.129 0.000 0.869 376 L CB 0.963 42.948 42.059 -0.123 0.000 1.123 376 L HN 0.581 nan 8.230 nan 0.000 0.484 377 V N 4.276 124.055 119.914 -0.225 0.000 3.572 377 V HA 0.613 4.733 4.120 -0.000 0.000 0.260 377 V C 0.379 176.300 176.094 -0.289 0.000 1.324 377 V CA 0.668 62.814 62.300 -0.256 0.000 1.068 377 V CB 0.400 32.021 31.823 -0.336 0.000 0.837 377 V HN 1.002 nan 8.190 nan 0.000 0.450 378 A N -0.162 122.467 122.820 -0.318 0.000 2.583 378 A HA 0.746 5.066 4.320 -0.000 0.000 0.292 378 A C -1.690 175.779 177.584 -0.193 0.000 1.045 378 A CA -0.351 51.557 52.037 -0.215 0.000 0.672 378 A CB 1.208 20.088 19.000 -0.201 0.000 1.283 378 A HN 0.077 nan 8.150 nan 0.000 0.419 379 I N 1.500 122.003 120.570 -0.112 0.000 2.500 379 I HA 0.462 4.632 4.170 -0.000 0.000 0.286 379 I C -1.011 175.078 176.117 -0.045 0.000 1.063 379 I CA -0.421 60.822 61.300 -0.095 0.000 1.062 379 I CB 1.995 39.946 38.000 -0.082 0.000 1.223 379 I HN 0.547 nan 8.210 nan 0.000 0.435 380 E N 4.368 124.547 120.200 -0.035 0.000 2.293 380 E HA 0.271 4.621 4.350 -0.000 0.000 0.270 380 E C -1.349 175.258 176.600 0.011 0.000 0.879 380 E CA -0.691 55.708 56.400 -0.003 0.000 0.756 380 E CB 2.962 32.669 29.700 0.013 0.000 1.208 380 E HN 0.469 nan 8.360 nan 0.000 0.428 381 D N 1.258 121.670 120.400 0.019 0.000 2.351 381 D HA 0.016 4.656 4.640 -0.000 0.000 0.251 381 D C 0.993 177.319 176.300 0.044 0.000 1.137 381 D CA 0.223 54.242 54.000 0.031 0.000 0.879 381 D CB 1.157 41.971 40.800 0.023 0.000 1.181 381 D HN 0.440 nan 8.370 nan 0.000 0.448 382 T N 0.612 115.214 114.554 0.080 0.000 3.088 382 T HA 0.164 4.514 4.350 -0.000 0.000 0.259 382 T C 1.468 176.198 174.700 0.050 0.000 1.122 382 T CA 0.742 62.908 62.100 0.111 0.000 1.095 382 T CB 0.111 69.138 68.868 0.265 0.000 0.930 382 T HN 0.648 nan 8.240 nan 0.000 0.508 383 G N 0.238 109.044 108.800 0.011 0.000 2.199 383 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.254 383 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.254 383 G C 0.399 175.223 174.900 -0.127 0.000 0.982 383 G CA -0.060 45.014 45.100 -0.042 0.000 0.632 383 G HN 1.092 nan 8.290 nan 0.000 0.529 384 G N -1.307 107.361 108.800 -0.220 0.000 2.820 384 G HA2 0.619 4.579 3.960 -0.000 0.000 0.291 384 G HA3 0.619 4.579 3.960 -0.000 0.000 0.291 384 G C -0.698 174.069 174.900 -0.221 0.000 1.323 384 G CA -0.437 44.348 45.100 -0.526 0.000 1.055 384 G HN 0.221 nan 8.290 nan 0.000 0.520 385 Q N 0.664 120.360 119.800 -0.173 0.000 2.325 385 Q HA 0.411 4.751 4.340 -0.000 0.000 0.262 385 Q C -0.497 175.601 176.000 0.164 0.000 0.968 385 Q CA -0.233 55.578 55.803 0.014 0.000 0.877 385 Q CB 1.201 29.924 28.738 -0.025 0.000 1.253 385 Q HN 0.703 nan 8.270 nan 0.000 0.448 386 T N 2.490 117.135 114.554 0.153 0.000 3.501 386 T HA -0.090 4.260 4.350 -0.000 0.000 0.411 386 T C -2.444 172.334 174.700 0.129 0.000 0.766 386 T CA -0.214 61.951 62.100 0.108 0.000 2.129 386 T CB -1.125 67.767 68.868 0.040 0.000 1.711 386 T HN 0.458 nan 8.240 nan 0.000 0.712 387 P HA 0.080 nan 4.420 nan 0.000 0.264 387 P C -0.241 177.006 177.300 -0.088 0.000 1.193 387 P CA 0.330 63.247 63.100 -0.305 0.000 0.763 387 P CB 0.486 32.056 31.700 -0.218 0.000 0.810 388 H N 6.122 125.065 119.070 -0.211 0.000 2.607 388 H HA 0.221 4.777 4.556 -0.000 0.000 0.248 388 H C -2.141 173.094 175.328 -0.154 0.000 1.355 388 H CA -1.957 54.018 56.048 -0.122 0.000 1.524 388 H CB 1.439 31.113 29.762 -0.145 0.000 1.563 388 H HN 0.207 nan 8.280 nan 0.000 0.509 389 P HA 0.070 nan 4.420 nan 0.000 0.227 389 P C 1.033 178.310 177.300 -0.038 0.000 1.161 389 P CA 1.487 64.526 63.100 -0.101 0.000 0.788 389 P CB 1.037 32.795 31.700 0.095 0.000 0.822 390 G N 1.567 110.286 108.800 -0.134 0.000 2.550 390 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.277 390 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.277 390 G C 0.857 175.838 174.900 0.135 0.000 1.190 390 G CA 0.369 45.574 45.100 0.175 0.000 0.971 390 G HN 0.268 nan 8.290 nan 0.000 0.559 391 R N 1.523 122.071 120.500 0.081 0.000 2.310 391 R HA 0.428 4.768 4.340 -0.000 0.000 0.202 391 R C 1.505 177.881 176.300 0.127 0.000 0.933 391 R CA 1.202 57.250 56.100 -0.087 0.000 1.054 391 R CB -0.222 29.657 30.300 -0.701 0.000 0.985 391 R HN 2.061 nan 8.270 nan 0.000 0.489 392 G N 0.316 109.154 108.800 0.065 0.000 2.782 392 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.228 392 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.228 392 G C -0.953 173.875 174.900 -0.120 0.000 1.372 392 G CA -0.494 44.437 45.100 -0.281 0.000 0.862 392 G HN 0.357 nan 8.290 nan 0.000 0.547 393 A N 0.390 123.005 122.820 -0.342 0.000 2.375 393 A HA 0.722 5.042 4.320 -0.000 0.000 0.291 393 A C -0.160 177.518 177.584 0.157 0.000 1.160 393 A CA -0.552 51.536 52.037 0.085 0.000 0.747 393 A CB 0.835 19.956 19.000 0.202 0.000 1.170 393 A HN 0.743 nan 8.150 nan 0.000 0.458 394 N N 2.025 120.912 118.700 0.312 0.000 2.438 394 N HA 0.761 5.501 4.740 -0.000 0.000 0.282 394 N C -0.909 174.808 175.510 0.345 0.000 1.037 394 N CA 0.284 53.506 53.050 0.287 0.000 0.942 394 N CB 1.470 40.117 38.487 0.266 0.000 1.136 394 N HN 0.638 nan 8.380 nan 0.000 0.481 395 F N -2.051 117.976 119.950 0.128 0.000 2.741 395 F HA 0.497 5.024 4.527 -0.000 0.000 0.313 395 F C -1.207 174.650 175.800 0.095 0.000 1.153 395 F CA -1.245 56.812 58.000 0.095 0.000 0.931 395 F CB 0.589 39.651 39.000 0.103 0.000 1.335 395 F HN -0.019 nan 8.300 nan 0.000 0.460 396 V N 2.451 122.531 119.914 0.276 0.000 2.334 396 V HA 0.213 4.333 4.120 -0.000 0.000 0.267 396 V C 0.042 176.310 176.094 0.291 0.000 1.040 396 V CA -0.408 61.987 62.300 0.158 0.000 0.866 396 V CB 0.218 32.105 31.823 0.107 0.000 1.019 396 V HN 0.859 nan 8.190 nan 0.000 0.468 397 H N 8.007 127.153 119.070 0.126 0.000 2.732 397 H HA 0.175 4.731 4.556 -0.000 0.000 0.351 397 H C -1.793 173.583 175.328 0.080 0.000 1.090 397 H CA -1.588 54.591 56.048 0.218 0.000 1.431 397 H CB 2.132 32.024 29.762 0.216 0.000 1.447 397 H HN 0.334 nan 8.280 nan 0.000 0.582 398 P HA -0.134 nan 4.420 nan 0.000 0.218 398 P C 1.129 178.431 177.300 0.003 0.000 1.148 398 P CA 2.279 65.320 63.100 -0.098 0.000 0.822 398 P CB 0.277 31.860 31.700 -0.196 0.000 0.784 399 T N -6.681 107.941 114.554 0.113 0.000 2.964 399 T HA 0.148 4.498 4.350 -0.000 0.000 0.249 399 T C 1.300 175.964 174.700 -0.060 0.000 1.000 399 T CA -0.014 62.067 62.100 -0.032 0.000 0.992 399 T CB -0.758 67.980 68.868 -0.217 0.000 1.087 399 T HN -0.169 nan 8.240 nan 0.000 0.489 400 F N 2.779 122.815 119.950 0.143 0.000 2.512 400 F HA 0.523 5.050 4.527 -0.000 0.000 0.296 400 F C 1.932 177.487 175.800 -0.408 0.000 1.110 400 F CA 0.093 57.984 58.000 -0.183 0.000 1.446 400 F CB -0.539 38.204 39.000 -0.429 0.000 1.092 400 F HN 0.612 nan 8.300 nan 0.000 0.554 401 G N -0.282 108.379 108.800 -0.233 0.000 2.582 401 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.222 401 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.222 401 G C -2.863 171.873 174.900 -0.274 0.000 1.311 401 G CA -1.344 43.387 45.100 -0.616 0.000 0.915 401 G HN -0.072 nan 8.290 nan 0.000 0.528 402 P HA 0.396 nan 4.420 nan 0.000 0.262 402 P C 0.249 177.423 177.300 -0.211 0.000 1.182 402 P CA 0.665 63.674 63.100 -0.152 0.000 0.761 402 P CB 0.930 32.579 31.700 -0.085 0.000 0.795 403 V N 0.879 120.640 119.914 -0.255 0.000 3.130 403 V HA 0.745 4.865 4.120 -0.000 0.000 0.310 403 V C -1.719 174.278 176.094 -0.160 0.000 1.158 403 V CA -1.215 60.924 62.300 -0.269 0.000 1.029 403 V CB 2.390 33.974 31.823 -0.398 0.000 1.057 403 V HN 0.587 nan 8.190 nan 0.000 0.436 404 W N 1.788 122.968 121.300 -0.199 0.000 2.702 404 W HA 0.874 5.534 4.660 -0.000 0.000 0.331 404 W C -0.364 176.151 176.519 -0.006 0.000 1.049 404 W CA -0.054 57.266 57.345 -0.042 0.000 1.230 404 W CB 1.877 31.377 29.460 0.066 0.000 1.408 404 W HN 1.062 nan 8.180 nan 0.000 0.492 405 A N 3.126 125.731 122.820 -0.358 0.000 2.350 405 A HA 0.851 5.171 4.320 -0.000 0.000 0.318 405 A C -0.962 176.164 177.584 -0.762 0.000 1.132 405 A CA -0.570 51.289 52.037 -0.296 0.000 0.811 405 A CB 1.952 20.990 19.000 0.063 0.000 1.313 405 A HN 0.549 nan 8.150 nan 0.000 0.454 406 T N -0.463 113.829 114.554 -0.438 0.000 2.923 406 T HA 0.625 4.975 4.350 -0.000 0.000 0.311 406 T C -0.209 174.343 174.700 -0.245 0.000 1.183 406 T CA 0.201 62.051 62.100 -0.417 0.000 1.020 406 T CB 1.116 69.765 68.868 -0.365 0.000 1.165 406 T HN 1.540 nan 8.240 nan 0.000 0.482 407 S N 2.432 118.018 115.700 -0.190 0.000 2.768 407 S HA 0.819 5.289 4.470 -0.000 0.000 0.300 407 S C -0.921 173.542 174.600 -0.228 0.000 1.122 407 S CA -0.640 57.508 58.200 -0.087 0.000 0.995 407 S CB 0.864 64.069 63.200 0.008 0.000 1.195 407 S HN 0.838 nan 8.310 nan 0.000 0.547 408 H N -0.924 118.131 119.070 -0.025 0.000 2.768 408 H HA 0.493 5.049 4.556 -0.000 0.000 0.371 408 H C 0.396 175.709 175.328 -0.024 0.000 1.151 408 H CA -0.756 55.285 56.048 -0.011 0.000 1.165 408 H CB 1.458 31.206 29.762 -0.023 0.000 1.722 408 H HN 0.503 nan 8.280 nan 0.000 0.543 409 M N 0.703 120.355 119.600 0.087 0.000 2.334 409 M HA 0.067 4.547 4.480 -0.000 0.000 0.266 409 M C 1.950 178.267 176.300 0.028 0.000 1.082 409 M CA 1.472 56.779 55.300 0.011 0.000 1.141 409 M CB 0.214 32.791 32.600 -0.038 0.000 1.380 409 M HN 0.842 nan 8.290 nan 0.000 0.440 410 G N 0.464 109.298 108.800 0.057 0.000 2.880 410 G HA2 0.006 3.966 3.960 -0.000 0.000 0.209 410 G HA3 0.006 3.966 3.960 -0.000 0.000 0.209 410 G C -0.160 174.741 174.900 0.000 0.000 1.157 410 G CA 0.369 45.481 45.100 0.020 0.000 0.779 410 G HN 0.545 nan 8.290 nan 0.000 0.539 411 D N -1.805 118.599 120.400 0.006 0.000 2.768 411 D HA 0.169 4.809 4.640 -0.000 0.000 0.327 411 D C -0.279 176.015 176.300 -0.009 0.000 1.302 411 D CA -0.412 53.569 54.000 -0.031 0.000 0.897 411 D CB 0.085 40.832 40.800 -0.088 0.000 1.420 411 D HN -0.037 nan 8.370 nan 0.000 0.494 412 D N -1.054 119.336 120.400 -0.016 0.000 2.328 412 D HA 0.095 4.735 4.640 -0.000 0.000 0.226 412 D C 0.233 176.534 176.300 0.002 0.000 1.066 412 D CA -0.092 53.911 54.000 0.006 0.000 0.861 412 D CB -0.427 40.386 40.800 0.023 0.000 0.912 412 D HN 0.404 nan 8.370 nan 0.000 0.521 413 S N -0.454 115.211 115.700 -0.059 0.000 2.592 413 S HA 0.438 4.908 4.470 -0.000 0.000 0.271 413 S C 0.011 174.589 174.600 -0.037 0.000 1.326 413 S CA -0.826 57.312 58.200 -0.104 0.000 1.024 413 S CB 1.660 64.723 63.200 -0.229 0.000 0.921 413 S HN -0.018 nan 8.310 nan 0.000 0.527 414 V N 1.946 121.685 119.914 -0.292 0.000 2.448 414 V HA 0.763 4.883 4.120 -0.000 0.000 0.295 414 V C 0.304 176.091 176.094 -0.511 0.000 1.025 414 V CA -0.472 61.562 62.300 -0.444 0.000 0.859 414 V CB 1.049 32.374 31.823 -0.831 0.000 0.988 414 V HN 1.221 nan 8.190 nan 0.000 0.431 415 A N 5.918 128.619 122.820 -0.198 0.000 2.355 415 A HA 0.942 5.262 4.320 -0.000 0.000 0.324 415 A C -0.999 176.547 177.584 -0.063 0.000 1.117 415 A CA -0.614 51.360 52.037 -0.106 0.000 0.785 415 A CB 1.157 20.196 19.000 0.065 0.000 1.254 415 A HN 0.772 nan 8.150 nan 0.000 0.453 416 L N 2.251 123.458 121.223 -0.028 0.000 2.346 416 L HA 0.629 4.969 4.340 -0.000 0.000 0.276 416 L C -0.628 176.227 176.870 -0.026 0.000 1.006 416 L CA -0.468 54.373 54.840 0.002 0.000 0.817 416 L CB 1.784 43.855 42.059 0.020 0.000 1.272 416 L HN 0.736 nan 8.230 nan 0.000 0.421 417 I N 0.776 121.372 120.570 0.044 0.000 2.509 417 I HA 0.568 4.738 4.170 -0.000 0.000 0.293 417 I C 0.392 176.456 176.117 -0.090 0.000 1.020 417 I CA -0.368 60.941 61.300 0.015 0.000 1.088 417 I CB 1.985 40.082 38.000 0.161 0.000 1.267 417 I HN 0.641 nan 8.210 nan 0.000 0.430 418 G N 3.003 111.665 108.800 -0.229 0.000 2.406 418 G HA2 0.338 4.298 3.960 -0.000 0.000 0.251 418 G HA3 0.338 4.298 3.960 -0.000 0.000 0.251 418 G C 0.421 174.967 174.900 -0.589 0.000 1.271 418 G CA 0.119 45.003 45.100 -0.361 0.000 0.859 418 G HN 0.727 nan 8.290 nan 0.000 0.540 419 T N -1.165 113.057 114.554 -0.552 0.000 3.266 419 T HA 0.232 4.582 4.350 -0.000 0.000 0.278 419 T C -0.123 174.178 174.700 -0.666 0.000 1.010 419 T CA -0.394 61.244 62.100 -0.770 0.000 0.909 419 T CB 0.509 69.293 68.868 -0.140 0.000 1.122 419 T HN 0.368 nan 8.240 nan 0.000 0.536 420 D N 1.877 121.922 120.400 -0.592 0.000 2.400 420 D HA 0.353 4.993 4.640 -0.000 0.000 0.272 420 D C -1.753 174.390 176.300 -0.262 0.000 1.220 420 D CA -2.414 51.422 54.000 -0.272 0.000 0.897 420 D CB 1.826 42.609 40.800 -0.027 0.000 1.134 420 D HN -0.021 nan 8.370 nan 0.000 0.507 421 P HA -0.160 nan 4.420 nan 0.000 0.215 421 P C 1.246 178.510 177.300 -0.060 0.000 1.153 421 P CA 0.957 63.949 63.100 -0.179 0.000 0.853 421 P CB 0.577 32.251 31.700 -0.043 0.000 0.788 422 E N -0.151 120.045 120.200 -0.008 0.000 2.015 422 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 422 E C 2.243 178.819 176.600 -0.040 0.000 0.991 422 E CA 1.568 57.969 56.400 0.001 0.000 0.802 422 E CB -0.949 28.772 29.700 0.035 0.000 0.759 422 E HN 0.157 nan 8.360 nan 0.000 0.447 423 G N -1.374 107.401 108.800 -0.043 0.000 2.494 423 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 423 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 423 G C 0.065 174.721 174.900 -0.407 0.000 1.140 423 G CA 0.417 45.418 45.100 -0.165 0.000 0.801 423 G HN 0.284 nan 8.290 nan 0.000 0.536 424 H N -0.170 118.850 119.070 -0.085 0.000 2.379 424 H HA 0.264 4.820 4.556 -0.000 0.000 0.229 424 H C -1.662 173.584 175.328 -0.137 0.000 1.423 424 H CA -1.424 54.569 56.048 -0.091 0.000 1.375 424 H CB 1.724 31.432 29.762 -0.089 0.000 1.592 424 H HN 0.086 nan 8.280 nan 0.000 0.507 425 P HA -0.175 nan 4.420 nan 0.000 0.216 425 P C 0.641 177.898 177.300 -0.073 0.000 1.150 425 P CA 1.264 64.318 63.100 -0.075 0.000 0.837 425 P CB 0.611 32.281 31.700 -0.050 0.000 0.786 426 D N -0.972 119.405 120.400 -0.039 0.000 2.269 426 D HA -0.070 4.569 4.640 -0.000 0.000 0.208 426 D C 1.442 177.705 176.300 -0.062 0.000 0.963 426 D CA 0.727 54.707 54.000 -0.034 0.000 0.864 426 D CB -0.602 40.195 40.800 -0.005 0.000 0.936 426 D HN 0.165 nan 8.370 nan 0.000 0.505 427 N N 0.499 119.154 118.700 -0.076 0.000 2.392 427 N HA 0.076 4.816 4.740 -0.000 0.000 0.177 427 N C 0.371 175.718 175.510 -0.272 0.000 1.066 427 N CA 0.053 53.013 53.050 -0.150 0.000 0.895 427 N CB 0.054 38.472 38.487 -0.115 0.000 0.988 427 N HN 0.010 nan 8.380 nan 0.000 0.457 428 A N 0.433 123.041 122.820 -0.353 0.000 2.545 428 A HA 0.088 4.408 4.320 -0.000 0.000 0.253 428 A C -0.100 177.132 177.584 -0.586 0.000 1.074 428 A CA -0.077 51.519 52.037 -0.734 0.000 0.760 428 A CB -0.883 17.634 19.000 -0.806 0.000 1.005 428 A HN 0.524 nan 8.150 nan 0.000 0.506 429 W N 0.204 121.404 121.300 -0.167 0.000 4.141 429 W HA -0.228 4.432 4.660 -0.000 0.000 0.336 429 W C 0.336 176.779 176.519 -0.127 0.000 1.258 429 W CA 0.835 58.082 57.345 -0.163 0.000 0.747 429 W CB -1.629 27.728 29.460 -0.172 0.000 2.338 429 W HN 0.667 nan 8.180 nan 0.000 1.410 430 K N 0.426 120.810 120.400 -0.026 0.000 2.259 430 K HA 0.487 4.807 4.320 -0.000 0.000 0.249 430 K C 0.368 176.913 176.600 -0.092 0.000 0.942 430 K CA -1.212 55.045 56.287 -0.050 0.000 0.816 430 K CB 1.424 33.871 32.500 -0.088 0.000 1.155 430 K HN -0.224 nan 8.250 nan 0.000 0.428 431 I N 4.566 125.094 120.570 -0.069 0.000 2.505 431 I HA -0.030 4.140 4.170 -0.000 0.000 0.287 431 I C 0.932 176.938 176.117 -0.185 0.000 1.104 431 I CA 0.529 61.777 61.300 -0.086 0.000 1.387 431 I CB -0.021 37.958 38.000 -0.035 0.000 1.404 431 I HN 0.638 nan 8.210 nan 0.000 0.528 432 L N 4.022 125.053 121.223 -0.321 0.000 2.513 432 L HA 0.246 4.586 4.340 -0.000 0.000 0.222 432 L C 0.186 176.807 176.870 -0.416 0.000 1.096 432 L CA 0.412 54.891 54.840 -0.602 0.000 0.857 432 L CB 0.041 41.332 42.059 -1.279 0.000 1.026 432 L HN 0.560 nan 8.230 nan 0.000 0.469 433 D N -1.292 119.011 120.400 -0.162 0.000 2.663 433 D HA 0.316 4.956 4.640 -0.000 0.000 0.233 433 D C -1.511 174.831 176.300 0.071 0.000 1.240 433 D CA -0.141 53.905 54.000 0.075 0.000 0.774 433 D CB 2.194 43.169 40.800 0.292 0.000 1.443 433 D HN -0.247 nan 8.370 nan 0.000 0.441 434 S N 1.885 117.651 115.700 0.111 0.000 2.736 434 S HA 0.754 5.224 4.470 -0.000 0.000 0.285 434 S C -1.616 173.035 174.600 0.085 0.000 1.163 434 S CA -0.697 57.481 58.200 -0.037 0.000 1.025 434 S CB -0.133 63.046 63.200 -0.035 0.000 1.030 434 S HN 0.332 nan 8.310 nan 0.000 0.486 435 F N 2.680 122.651 119.950 0.034 0.000 2.613 435 F HA 0.848 5.375 4.527 -0.000 0.000 0.310 435 F C -2.936 172.923 175.800 0.098 0.000 1.085 435 F CA -2.521 55.522 58.000 0.072 0.000 0.945 435 F CB 0.845 39.892 39.000 0.079 0.000 1.298 435 F HN 0.243 nan 8.300 nan 0.000 0.455 436 P HA 0.446 nan 4.420 nan 0.000 0.278 436 P C -0.924 176.620 177.300 0.407 0.000 1.238 436 P CA 0.071 63.340 63.100 0.281 0.000 0.794 436 P CB 1.795 33.647 31.700 0.254 0.000 0.955 437 A N 2.551 125.463 122.820 0.152 0.000 3.791 437 A HA 0.430 4.750 4.320 -0.000 0.000 0.159 437 A C 1.670 179.003 177.584 -0.419 0.000 1.359 437 A CA -0.528 51.416 52.037 -0.155 0.000 0.899 437 A CB -0.564 18.436 19.000 0.000 0.000 1.642 437 A HN 0.451 nan 8.150 nan 0.000 0.612 438 L N -0.466 120.473 121.223 -0.474 0.000 2.046 438 L HA 0.174 4.514 4.340 -0.000 0.000 0.208 438 L C 1.323 178.159 176.870 -0.056 0.000 1.077 438 L CA 1.454 56.151 54.840 -0.238 0.000 0.747 438 L CB -0.501 41.450 42.059 -0.180 0.000 0.896 438 L HN 0.926 nan 8.230 nan 0.000 0.432 439 G N -2.262 106.511 108.800 -0.045 0.000 2.320 439 G HA2 0.373 4.333 3.960 -0.000 0.000 0.296 439 G HA3 0.373 4.333 3.960 -0.000 0.000 0.296 439 G C -0.815 174.081 174.900 -0.006 0.000 1.306 439 G CA -0.377 44.718 45.100 -0.008 0.000 0.836 439 G HN 0.155 nan 8.290 nan 0.000 0.517 440 G N -1.802 106.997 108.800 -0.002 0.000 2.651 440 G HA2 0.559 4.519 3.960 -0.000 0.000 0.260 440 G HA3 0.559 4.519 3.960 -0.000 0.000 0.260 440 G C 1.276 176.174 174.900 -0.004 0.000 1.216 440 G CA 1.113 46.214 45.100 0.001 0.000 0.913 440 G HN 2.353 nan 8.290 nan 0.000 0.535 441 G N -1.584 107.213 108.800 -0.005 0.000 2.132 441 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.234 441 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.234 441 G C 0.590 175.476 174.900 -0.023 0.000 0.989 441 G CA 0.693 45.782 45.100 -0.018 0.000 0.676 441 G HN 1.313 nan 8.290 nan 0.000 0.522 442 S N -0.833 114.858 115.700 -0.014 0.000 2.565 442 S HA 0.647 5.117 4.470 -0.000 0.000 0.276 442 S C 1.543 176.086 174.600 -0.095 0.000 1.326 442 S CA -0.017 58.176 58.200 -0.012 0.000 1.045 442 S CB 0.877 64.089 63.200 0.021 0.000 0.918 442 S HN 0.399 nan 8.310 nan 0.000 0.505 443 L N 2.850 123.995 121.223 -0.129 0.000 2.624 443 L HA 0.453 4.793 4.340 -0.000 0.000 0.222 443 L C -0.746 175.782 176.870 -0.569 0.000 1.046 443 L CA 0.169 54.726 54.840 -0.472 0.000 0.872 443 L CB 0.252 41.995 42.059 -0.528 0.000 1.190 443 L HN 0.521 nan 8.230 nan 0.000 0.487 444 F N -0.086 119.976 119.950 0.187 0.000 2.556 444 F HA 0.508 5.035 4.527 -0.000 0.000 0.314 444 F C -0.406 175.503 175.800 0.183 0.000 1.106 444 F CA -0.704 57.412 58.000 0.194 0.000 0.911 444 F CB 2.271 41.383 39.000 0.186 0.000 1.190 444 F HN -0.287 nan 8.300 nan 0.000 0.448 445 I N 3.066 123.825 120.570 0.314 0.000 2.530 445 I HA 0.678 4.848 4.170 -0.000 0.000 0.297 445 I C -1.268 175.039 176.117 0.316 0.000 1.011 445 I CA -0.578 60.883 61.300 0.268 0.000 1.107 445 I CB 1.584 39.656 38.000 0.120 0.000 1.285 445 I HN 0.598 nan 8.210 nan 0.000 0.436 446 K N 3.661 124.306 120.400 0.408 0.000 2.551 446 K HA 0.705 5.025 4.320 -0.000 0.000 0.269 446 K C -1.183 175.778 176.600 0.601 0.000 0.949 446 K CA -0.447 56.115 56.287 0.457 0.000 0.849 446 K CB 2.199 34.953 32.500 0.423 0.000 1.411 446 K HN 0.676 nan 8.250 nan 0.000 0.432 447 T N 0.189 115.069 114.554 0.543 0.000 2.711 447 T HA 0.441 4.791 4.350 -0.000 0.000 0.302 447 T C -2.239 172.489 174.700 0.046 0.000 1.373 447 T CA -0.485 61.875 62.100 0.434 0.000 1.000 447 T CB 0.712 69.758 68.868 0.297 0.000 1.483 447 T HN 0.569 nan 8.240 nan 0.000 0.499 448 H N 0.263 119.117 119.070 -0.361 0.000 3.046 448 H HA 0.353 4.909 4.556 -0.000 0.000 0.363 448 H C -2.372 172.835 175.328 -0.201 0.000 1.203 448 H CA -1.465 54.294 56.048 -0.482 0.000 1.169 448 H CB 2.463 31.438 29.762 -1.312 0.000 1.851 448 H HN 0.326 nan 8.280 nan 0.000 0.546 449 P HA -0.165 nan 4.420 nan 0.000 0.216 449 P C 0.951 178.279 177.300 0.046 0.000 1.154 449 P CA 1.481 64.505 63.100 -0.127 0.000 0.865 449 P CB 0.133 31.712 31.700 -0.203 0.000 0.789 450 N N -0.968 117.872 118.700 0.232 0.000 2.449 450 N HA -0.010 4.730 4.740 -0.000 0.000 0.191 450 N C -0.190 175.400 175.510 0.132 0.000 1.161 450 N CA -0.078 53.084 53.050 0.185 0.000 0.863 450 N CB 0.105 38.716 38.487 0.208 0.000 0.980 450 N HN 0.047 nan 8.380 nan 0.000 0.458 451 S N -0.248 115.518 115.700 0.109 0.000 2.566 451 S HA 0.162 4.632 4.470 -0.000 0.000 0.298 451 S C 0.476 175.080 174.600 0.006 0.000 1.083 451 S CA -0.720 57.553 58.200 0.121 0.000 0.978 451 S CB 1.815 65.177 63.200 0.269 0.000 1.073 451 S HN 0.380 nan 8.310 nan 0.000 0.491 452 Q N 1.677 121.366 119.800 -0.186 0.000 2.282 452 Q HA 0.253 4.593 4.340 -0.000 0.000 0.206 452 Q C -1.026 174.729 176.000 -0.408 0.000 0.878 452 Q CA -0.080 55.518 55.803 -0.342 0.000 0.944 452 Q CB -0.045 28.407 28.738 -0.476 0.000 1.100 452 Q HN 0.623 nan 8.270 nan 0.000 0.509 453 Y N 0.660 121.013 120.300 0.088 0.000 2.446 453 Y HA 0.513 5.063 4.550 -0.000 0.000 0.338 453 Y C -0.729 175.195 175.900 0.040 0.000 1.055 453 Y CA -1.909 56.186 58.100 -0.009 0.000 1.101 453 Y CB 1.627 40.021 38.460 -0.110 0.000 1.221 453 Y HN 0.043 nan 8.280 nan 0.000 0.460 454 L N 3.885 125.190 121.223 0.137 0.000 2.316 454 L HA 0.510 4.850 4.340 -0.000 0.000 0.280 454 L C -1.830 175.191 176.870 0.252 0.000 1.006 454 L CA -0.782 54.185 54.840 0.211 0.000 0.836 454 L CB 0.041 42.144 42.059 0.074 0.000 1.221 454 L HN 0.439 nan 8.230 nan 0.000 0.418 455 Y N 4.109 124.648 120.300 0.398 0.000 2.330 455 Y HA 0.661 5.211 4.550 -0.000 0.000 0.336 455 Y C -0.113 175.991 175.900 0.341 0.000 1.036 455 Y CA -0.779 57.546 58.100 0.376 0.000 1.125 455 Y CB 1.720 40.478 38.460 0.497 0.000 1.194 455 Y HN 0.266 nan 8.280 nan 0.000 0.469 456 V N 3.494 123.636 119.914 0.381 0.000 2.577 456 V HA 0.307 4.427 4.120 -0.000 0.000 0.303 456 V C -0.657 175.535 176.094 0.164 0.000 1.042 456 V CA -1.084 61.379 62.300 0.273 0.000 0.872 456 V CB 1.521 33.482 31.823 0.230 0.000 0.998 456 V HN 0.803 nan 8.190 nan 0.000 0.423 457 D N 3.687 124.203 120.400 0.194 0.000 2.466 457 D HA 0.735 5.375 4.640 -0.000 0.000 0.262 457 D C 0.194 176.532 176.300 0.063 0.000 1.177 457 D CA -0.560 53.513 54.000 0.121 0.000 1.035 457 D CB 1.743 42.678 40.800 0.225 0.000 1.105 457 D HN 0.753 nan 8.370 nan 0.000 0.551 458 A N -0.624 122.218 122.820 0.037 0.000 3.165 458 A HA 0.309 4.629 4.320 -0.000 0.000 0.212 458 A C 0.992 178.588 177.584 0.020 0.000 0.935 458 A CA -0.442 51.602 52.037 0.011 0.000 1.100 458 A CB -0.649 18.336 19.000 -0.025 0.000 1.260 458 A HN 0.442 nan 8.150 nan 0.000 0.532 459 T N 0.769 115.362 114.554 0.065 0.000 2.680 459 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 459 T C 1.417 176.142 174.700 0.043 0.000 1.033 459 T CA 2.070 64.227 62.100 0.095 0.000 1.152 459 T CB -0.302 68.682 68.868 0.193 0.000 0.859 459 T HN 0.499 nan 8.240 nan 0.000 0.452 460 L N 0.610 121.844 121.223 0.018 0.000 2.628 460 L HA 0.231 4.571 4.340 -0.000 0.000 0.229 460 L C 1.026 177.884 176.870 -0.020 0.000 1.137 460 L CA -0.391 54.444 54.840 -0.009 0.000 0.909 460 L CB -0.420 41.632 42.059 -0.012 0.000 1.137 460 L HN 0.217 nan 8.230 nan 0.000 0.470 461 N N 2.448 121.137 118.700 -0.017 0.000 2.407 461 N HA -0.002 4.738 4.740 -0.000 0.000 0.250 461 N C -1.459 174.035 175.510 -0.027 0.000 1.236 461 N CA -0.782 52.255 53.050 -0.021 0.000 0.879 461 N CB 1.478 39.953 38.487 -0.020 0.000 1.088 461 N HN -0.045 nan 8.380 nan 0.000 0.450 462 P HA -0.074 nan 4.420 nan 0.000 0.226 462 P C -0.057 177.226 177.300 -0.029 0.000 1.153 462 P CA 0.963 64.046 63.100 -0.028 0.000 0.777 462 P CB 0.256 31.942 31.700 -0.022 0.000 0.794 463 E N -0.032 120.152 120.200 -0.027 0.000 2.130 463 E HA 0.384 4.734 4.350 -0.000 0.000 0.284 463 E C 1.046 177.625 176.600 -0.035 0.000 1.018 463 E CA -0.414 55.970 56.400 -0.028 0.000 0.817 463 E CB 1.045 30.732 29.700 -0.021 0.000 1.078 463 E HN -0.092 nan 8.360 nan 0.000 0.396 464 A N 5.014 127.811 122.820 -0.038 0.000 1.948 464 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 464 A C 1.784 179.338 177.584 -0.050 0.000 1.177 464 A CA 1.686 53.696 52.037 -0.045 0.000 0.636 464 A CB -0.366 18.607 19.000 -0.044 0.000 0.815 464 A HN 0.878 nan 8.150 nan 0.000 0.449 465 E N -0.562 119.610 120.200 -0.047 0.000 2.077 465 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 465 E C 1.879 178.441 176.600 -0.064 0.000 0.989 465 E CA 1.325 57.692 56.400 -0.056 0.000 0.800 465 E CB -0.230 29.443 29.700 -0.045 0.000 0.746 465 E HN 0.748 nan 8.360 nan 0.000 0.452 466 I N 0.686 121.226 120.570 -0.050 0.000 2.235 466 I HA -0.217 3.953 4.170 -0.000 0.000 0.241 466 I C 2.646 178.728 176.117 -0.059 0.000 1.085 466 I CA 1.083 62.352 61.300 -0.052 0.000 1.378 466 I CB -0.299 37.681 38.000 -0.034 0.000 1.076 466 I HN 0.090 nan 8.210 nan 0.000 0.415 467 S N 0.763 116.435 115.700 -0.047 0.000 2.442 467 S HA -0.067 4.403 4.470 -0.000 0.000 0.236 467 S C 1.858 176.431 174.600 -0.044 0.000 1.007 467 S CA 0.992 59.170 58.200 -0.037 0.000 0.965 467 S CB -0.754 62.425 63.200 -0.034 0.000 0.773 467 S HN 0.483 nan 8.310 nan 0.000 0.504 468 G N 0.020 108.779 108.800 -0.067 0.000 3.141 468 G HA2 0.457 4.417 3.960 -0.000 0.000 0.218 468 G HA3 0.457 4.417 3.960 -0.000 0.000 0.218 468 G C 0.136 174.947 174.900 -0.148 0.000 1.170 468 G CA -0.192 44.856 45.100 -0.086 0.000 0.769 468 G HN 0.487 nan 8.290 nan 0.000 0.546 469 S N -1.567 114.038 115.700 -0.158 0.000 2.715 469 S HA 0.748 5.218 4.470 -0.000 0.000 0.307 469 S C -1.060 173.394 174.600 -0.243 0.000 1.119 469 S CA -0.523 57.538 58.200 -0.232 0.000 0.937 469 S CB 2.560 65.641 63.200 -0.197 0.000 1.150 469 S HN -0.061 nan 8.310 nan 0.000 0.521 470 V N 0.993 120.725 119.914 -0.302 0.000 2.760 470 V HA 0.733 4.853 4.120 -0.000 0.000 0.309 470 V C -0.436 175.533 176.094 -0.210 0.000 1.077 470 V CA -0.746 61.385 62.300 -0.282 0.000 0.910 470 V CB 1.722 33.224 31.823 -0.535 0.000 1.008 470 V HN 1.023 nan 8.190 nan 0.000 0.424 471 A N 4.365 127.073 122.820 -0.186 0.000 2.309 471 A HA 0.834 5.154 4.320 -0.000 0.000 0.298 471 A C -0.712 176.743 177.584 -0.215 0.000 1.165 471 A CA -0.398 51.461 52.037 -0.297 0.000 0.821 471 A CB 1.045 19.654 19.000 -0.652 0.000 1.102 471 A HN 0.802 nan 8.150 nan 0.000 0.500 472 V N 2.516 122.256 119.914 -0.290 0.000 2.531 472 V HA 0.502 4.622 4.120 -0.000 0.000 0.301 472 V C -1.078 174.830 176.094 -0.310 0.000 1.034 472 V CA -0.313 61.792 62.300 -0.324 0.000 0.865 472 V CB 0.926 32.467 31.823 -0.470 0.000 0.995 472 V HN 0.708 nan 8.190 nan 0.000 0.424 473 F N 1.744 121.689 119.950 -0.010 0.000 2.450 473 F HA 0.498 5.025 4.527 -0.000 0.000 0.332 473 F C 0.375 176.244 175.800 0.114 0.000 1.093 473 F CA -0.854 57.181 58.000 0.059 0.000 1.003 473 F CB 1.315 40.347 39.000 0.054 0.000 1.151 473 F HN 0.430 nan 8.300 nan 0.000 0.474 474 D N 2.849 123.429 120.400 0.300 0.000 2.380 474 D HA 0.228 4.868 4.640 -0.000 0.000 0.230 474 D C 1.074 177.390 176.300 0.028 0.000 1.154 474 D CA 0.144 54.285 54.000 0.235 0.000 0.859 474 D CB 0.605 41.539 40.800 0.223 0.000 1.045 474 D HN 0.504 nan 8.370 nan 0.000 0.495 475 I N 3.313 123.827 120.570 -0.093 0.000 2.208 475 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 475 I C 2.200 178.232 176.117 -0.141 0.000 1.097 475 I CA 1.044 62.233 61.300 -0.183 0.000 1.363 475 I CB 0.000 37.815 38.000 -0.308 0.000 1.051 475 I HN 0.322 nan 8.210 nan 0.000 0.413 476 K N 0.696 121.020 120.400 -0.126 0.000 2.281 476 K HA -0.112 4.208 4.320 -0.000 0.000 0.203 476 K C 1.927 178.472 176.600 -0.091 0.000 1.046 476 K CA 1.296 57.521 56.287 -0.104 0.000 0.938 476 K CB -0.187 32.256 32.500 -0.095 0.000 0.737 476 K HN 0.359 nan 8.250 nan 0.000 0.458 477 A N 0.437 123.216 122.820 -0.070 0.000 2.218 477 A HA 0.105 4.425 4.320 -0.000 0.000 0.209 477 A C 0.702 178.236 177.584 -0.083 0.000 1.168 477 A CA 0.022 52.027 52.037 -0.053 0.000 0.804 477 A CB -0.197 18.796 19.000 -0.012 0.000 0.834 477 A HN 0.141 nan 8.150 nan 0.000 0.482 478 M N 0.362 119.875 119.600 -0.144 0.000 2.245 478 M HA 0.129 4.609 4.480 -0.000 0.000 0.344 478 M C 1.387 177.563 176.300 -0.207 0.000 1.170 478 M CA 0.827 56.018 55.300 -0.182 0.000 1.135 478 M CB 0.889 33.325 32.600 -0.272 0.000 1.574 478 M HN 0.410 nan 8.290 nan 0.000 0.452 479 T N -2.652 111.867 114.554 -0.058 0.000 2.966 479 T HA 0.262 4.612 4.350 -0.000 0.000 0.254 479 T C 1.067 175.768 174.700 0.002 0.000 0.961 479 T CA 0.295 62.374 62.100 -0.036 0.000 0.915 479 T CB 0.105 68.957 68.868 -0.027 0.000 1.186 479 T HN 1.000 nan 8.240 nan 0.000 0.505 480 G N 3.669 112.540 108.800 0.118 0.000 2.370 480 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.293 480 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.293 480 G C 0.039 174.957 174.900 0.031 0.000 0.992 480 G CA 0.444 45.577 45.100 0.054 0.000 1.247 480 G HN 0.818 nan 8.290 nan 0.000 0.505 481 D N -1.349 119.096 120.400 0.076 0.000 2.513 481 D HA 0.397 5.037 4.640 -0.000 0.000 0.222 481 D C 1.670 178.023 176.300 0.088 0.000 1.210 481 D CA 0.365 54.402 54.000 0.062 0.000 0.825 481 D CB -0.190 40.629 40.800 0.031 0.000 1.037 481 D HN 1.483 nan 8.370 nan 0.000 0.506 482 G N 0.601 109.478 108.800 0.128 0.000 2.234 482 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.235 482 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.235 482 G C 0.398 175.366 174.900 0.113 0.000 0.997 482 G CA 0.235 45.410 45.100 0.124 0.000 0.623 482 G HN 0.906 nan 8.290 nan 0.000 0.514 483 S N 1.090 116.845 115.700 0.092 0.000 2.545 483 S HA 0.511 4.981 4.470 -0.000 0.000 0.275 483 S C -0.259 174.392 174.600 0.086 0.000 1.299 483 S CA -0.281 57.966 58.200 0.078 0.000 1.048 483 S CB 1.531 64.761 63.200 0.051 0.000 0.938 483 S HN 0.181 nan 8.310 nan 0.000 0.496 484 D N 4.749 125.215 120.400 0.109 0.000 2.412 484 D HA 0.230 4.870 4.640 -0.000 0.000 0.257 484 D C -1.911 174.433 176.300 0.073 0.000 1.217 484 D CA -0.749 53.334 54.000 0.139 0.000 0.897 484 D CB 0.207 41.130 40.800 0.206 0.000 1.132 484 D HN 0.449 nan 8.370 nan 0.000 0.493 485 P HA 0.014 nan 4.420 nan 0.000 0.267 485 P C 0.059 177.480 177.300 0.202 0.000 1.200 485 P CA -0.084 63.003 63.100 -0.022 0.000 0.772 485 P CB 0.558 32.087 31.700 -0.286 0.000 0.855 486 E N 2.192 122.459 120.200 0.112 0.000 2.283 486 E HA 0.561 4.911 4.350 -0.000 0.000 0.267 486 E C -0.664 175.900 176.600 -0.061 0.000 1.045 486 E CA -0.726 55.664 56.400 -0.016 0.000 0.884 486 E CB 0.677 30.299 29.700 -0.131 0.000 1.106 486 E HN 0.400 nan 8.360 nan 0.000 0.408 487 F N -1.232 118.534 119.950 -0.307 0.000 2.577 487 F HA 0.580 5.107 4.527 -0.000 0.000 0.318 487 F C -0.488 175.104 175.800 -0.346 0.000 1.065 487 F CA -1.510 56.134 58.000 -0.593 0.000 0.929 487 F CB 1.458 39.779 39.000 -1.133 0.000 1.237 487 F HN 0.322 nan 8.300 nan 0.000 0.468 488 K N 0.919 121.239 120.400 -0.134 0.000 2.130 488 K HA 0.494 4.814 4.320 -0.000 0.000 0.268 488 K C -1.018 175.573 176.600 -0.016 0.000 0.983 488 K CA -0.446 55.769 56.287 -0.120 0.000 0.893 488 K CB 1.423 33.833 32.500 -0.151 0.000 1.066 488 K HN 0.890 nan 8.250 nan 0.000 0.450 489 T N 4.955 119.493 114.554 -0.028 0.000 2.743 489 T HA 0.310 4.660 4.350 -0.000 0.000 0.292 489 T C -0.217 174.369 174.700 -0.189 0.000 0.972 489 T CA -0.588 61.483 62.100 -0.049 0.000 0.967 489 T CB 0.243 69.107 68.868 -0.007 0.000 0.926 489 T HN 0.390 nan 8.240 nan 0.000 0.459 490 L N 6.291 127.337 121.223 -0.295 0.000 2.276 490 L HA 0.374 4.714 4.340 -0.000 0.000 0.286 490 L C -1.819 174.626 176.870 -0.707 0.000 1.061 490 L CA -2.269 52.232 54.840 -0.565 0.000 0.807 490 L CB 1.065 42.789 42.059 -0.558 0.000 1.177 490 L HN 0.354 nan 8.230 nan 0.000 0.429 491 P HA 0.115 nan 4.420 nan 0.000 0.219 491 P C 0.961 177.735 177.300 -0.877 0.000 1.832 491 P CA -0.329 62.321 63.100 -0.750 0.000 1.014 491 P CB 0.201 31.552 31.700 -0.581 0.000 1.939 492 I N 1.262 121.435 120.570 -0.663 0.000 2.127 492 I HA -0.255 3.915 4.170 -0.000 0.000 0.241 492 I C 2.298 178.333 176.117 -0.137 0.000 1.075 492 I CA 1.738 62.821 61.300 -0.361 0.000 1.334 492 I CB -1.956 35.864 38.000 -0.301 0.000 1.040 492 I HN 0.151 nan 8.210 nan 0.000 0.405 493 A N 0.307 123.044 122.820 -0.138 0.000 1.877 493 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 493 A C 2.393 179.956 177.584 -0.035 0.000 1.186 493 A CA 1.768 53.771 52.037 -0.057 0.000 0.620 493 A CB -0.766 18.200 19.000 -0.056 0.000 0.822 493 A HN 0.530 nan 8.150 nan 0.000 0.443 494 E N -1.154 118.998 120.200 -0.079 0.000 2.085 494 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 494 E C 1.758 178.420 176.600 0.102 0.000 0.994 494 E CA 1.561 57.947 56.400 -0.024 0.000 0.801 494 E CB -0.244 29.414 29.700 -0.069 0.000 0.743 494 E HN 0.757 nan 8.360 nan 0.000 0.453 495 W N 0.256 121.516 121.300 -0.066 0.000 2.342 495 W HA -0.062 4.598 4.660 -0.000 0.000 0.297 495 W C 2.350 178.815 176.519 -0.091 0.000 1.213 495 W CA 1.133 58.431 57.345 -0.078 0.000 1.251 495 W CB -0.986 28.424 29.460 -0.084 0.000 1.136 495 W HN 0.207 nan 8.180 nan 0.000 0.526 496 A N -0.561 122.343 122.820 0.139 0.000 2.167 496 A HA 0.357 4.677 4.320 -0.000 0.000 0.214 496 A C 1.793 179.382 177.584 0.007 0.000 1.151 496 A CA 1.271 53.328 52.037 0.033 0.000 0.735 496 A CB -0.829 18.180 19.000 0.014 0.000 0.802 496 A HN 0.611 nan 8.150 nan 0.000 0.467 497 G N -0.840 107.974 108.800 0.023 0.000 2.182 497 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 497 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 497 G C -0.115 174.782 174.900 -0.003 0.000 1.042 497 G CA 0.349 45.452 45.100 0.005 0.000 0.775 497 G HN 0.516 nan 8.290 nan 0.000 0.501 498 I N 0.874 121.443 120.570 -0.002 0.000 2.382 498 I HA 0.474 4.644 4.170 -0.000 0.000 0.286 498 I C 1.248 177.358 176.117 -0.012 0.000 1.002 498 I CA -0.059 61.238 61.300 -0.006 0.000 1.135 498 I CB 1.877 39.877 38.000 -0.000 0.000 1.288 498 I HN 0.255 nan 8.210 nan 0.000 0.448 499 T N 0.468 115.013 114.554 -0.014 0.000 3.028 499 T HA 0.132 4.482 4.350 -0.000 0.000 0.250 499 T C 0.475 175.163 174.700 -0.021 0.000 0.979 499 T CA -0.262 61.826 62.100 -0.020 0.000 1.004 499 T CB -0.130 68.726 68.868 -0.019 0.000 1.120 499 T HN 0.495 nan 8.240 nan 0.000 0.482 500 E N 2.242 122.432 120.200 -0.017 0.000 2.437 500 E HA 0.464 4.814 4.350 -0.000 0.000 0.263 500 E C 1.078 177.665 176.600 -0.022 0.000 1.030 500 E CA 0.241 56.630 56.400 -0.018 0.000 0.934 500 E CB -0.596 29.096 29.700 -0.013 0.000 0.943 500 E HN 0.767 nan 8.360 nan 0.000 0.444 501 G N 1.599 110.383 108.800 -0.026 0.000 2.562 501 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.250 501 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.250 501 G C -0.624 174.245 174.900 -0.051 0.000 1.269 501 G CA 0.174 45.253 45.100 -0.035 0.000 0.919 501 G HN 0.868 nan 8.290 nan 0.000 0.574 502 Q N 1.424 121.178 119.800 -0.077 0.000 2.607 502 Q HA 0.539 4.879 4.340 -0.000 0.000 0.247 502 Q C -2.377 173.547 176.000 -0.126 0.000 1.033 502 Q CA -2.037 53.705 55.803 -0.102 0.000 0.769 502 Q CB 1.387 30.050 28.738 -0.124 0.000 1.169 502 Q HN 0.561 nan 8.270 nan 0.000 0.508 503 P HA 0.220 nan 4.420 nan 0.000 0.276 503 P C -0.849 176.424 177.300 -0.044 0.000 1.253 503 P CA -0.043 63.031 63.100 -0.044 0.000 0.766 503 P CB 0.702 32.393 31.700 -0.014 0.000 0.845 504 R N 2.101 122.587 120.500 -0.023 0.000 2.494 504 R HA 0.517 4.857 4.340 -0.000 0.000 0.305 504 R C -0.555 175.838 176.300 0.154 0.000 0.959 504 R CA -1.138 54.976 56.100 0.023 0.000 0.864 504 R CB 1.937 32.202 30.300 -0.058 0.000 1.159 504 R HN 0.245 nan 8.270 nan 0.000 0.446 505 V N 3.876 123.855 119.914 0.108 0.000 2.465 505 V HA 0.357 4.477 4.120 -0.000 0.000 0.279 505 V C -0.237 175.986 176.094 0.214 0.000 1.045 505 V CA -0.319 62.059 62.300 0.131 0.000 0.938 505 V CB 1.564 33.388 31.823 0.002 0.000 0.986 505 V HN 0.488 nan 8.190 nan 0.000 0.467 506 V N 5.504 125.586 119.914 0.280 0.000 2.932 506 V HA 0.536 4.656 4.120 -0.000 0.000 0.307 506 V C -0.540 175.709 176.094 0.258 0.000 1.147 506 V CA -0.346 62.149 62.300 0.324 0.000 0.951 506 V CB 1.785 33.826 31.823 0.365 0.000 1.031 506 V HN 1.052 nan 8.190 nan 0.000 0.426 507 Q N 3.123 123.091 119.800 0.280 0.000 2.588 507 Q HA -0.133 4.207 4.340 -0.000 0.000 0.234 507 Q C -0.034 175.923 176.000 -0.071 0.000 1.382 507 Q CA 0.802 56.591 55.803 -0.024 0.000 0.700 507 Q CB -0.868 27.479 28.738 -0.652 0.000 0.808 507 Q HN 1.489 nan 8.270 nan 0.000 0.310 508 G N 3.093 111.866 108.800 -0.046 0.000 2.442 508 G HA2 0.347 4.307 3.960 -0.000 0.000 0.249 508 G HA3 0.347 4.307 3.960 -0.000 0.000 0.249 508 G C -0.556 174.128 174.900 -0.359 0.000 1.263 508 G CA 0.066 44.767 45.100 -0.665 0.000 0.846 508 G HN 0.530 nan 8.290 nan 0.000 0.555 509 E N 1.012 120.978 120.200 -0.390 0.000 2.263 509 E HA 0.528 4.878 4.350 -0.000 0.000 0.268 509 E C -1.285 175.264 176.600 -0.086 0.000 0.884 509 E CA -0.727 55.597 56.400 -0.127 0.000 0.766 509 E CB 0.936 30.572 29.700 -0.106 0.000 1.196 509 E HN 0.234 nan 8.360 nan 0.000 0.416 510 F N 2.836 122.783 119.950 -0.005 0.000 2.378 510 F HA 0.363 4.889 4.527 -0.000 0.000 0.325 510 F C 1.260 177.062 175.800 0.003 0.000 1.097 510 F CA -0.423 57.591 58.000 0.023 0.000 1.079 510 F CB 0.675 39.684 39.000 0.016 0.000 1.240 510 F HN 0.513 nan 8.300 nan 0.000 0.519 511 N N 1.157 120.034 118.700 0.295 0.000 2.379 511 N HA 0.076 4.816 4.740 -0.000 0.000 0.260 511 N C 0.667 176.220 175.510 0.072 0.000 1.254 511 N CA -0.517 52.652 53.050 0.199 0.000 0.958 511 N CB 0.295 38.975 38.487 0.321 0.000 1.208 511 N HN 0.674 nan 8.380 nan 0.000 0.532 512 K N -0.684 119.732 120.400 0.026 0.000 2.063 512 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 512 K C 0.126 176.707 176.600 -0.031 0.000 1.048 512 K CA 1.711 57.996 56.287 -0.002 0.000 0.928 512 K CB -0.132 32.311 32.500 -0.095 0.000 0.713 512 K HN 0.479 nan 8.250 nan 0.000 0.442 513 D N -0.680 119.702 120.400 -0.030 0.000 2.363 513 D HA 0.022 4.662 4.640 -0.000 0.000 0.220 513 D C 0.898 177.129 176.300 -0.116 0.000 0.994 513 D CA 1.063 55.044 54.000 -0.032 0.000 0.890 513 D CB 0.247 41.051 40.800 0.007 0.000 0.906 513 D HN 0.543 nan 8.370 nan 0.000 0.530 514 G N 1.021 109.609 108.800 -0.354 0.000 2.179 514 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.257 514 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.257 514 G C 1.148 176.040 174.900 -0.014 0.000 1.010 514 G CA 1.197 45.842 45.100 -0.758 0.000 0.736 514 G HN 0.436 nan 8.290 nan 0.000 0.513 515 T N -3.552 111.078 114.554 0.126 0.000 3.037 515 T HA 0.434 4.784 4.350 -0.000 0.000 0.252 515 T C 0.616 175.465 174.700 0.249 0.000 1.073 515 T CA 0.976 63.192 62.100 0.193 0.000 1.091 515 T CB 0.819 69.770 68.868 0.138 0.000 0.935 515 T HN 0.493 nan 8.240 nan 0.000 0.488 516 E N 0.237 120.591 120.200 0.257 0.000 2.293 516 E HA 0.634 4.984 4.350 -0.000 0.000 0.270 516 E C -1.918 174.688 176.600 0.011 0.000 0.879 516 E CA -0.925 55.587 56.400 0.188 0.000 0.756 516 E CB 3.321 33.188 29.700 0.278 0.000 1.208 516 E HN 0.084 nan 8.360 nan 0.000 0.428 517 V N 3.051 122.815 119.914 -0.250 0.000 2.540 517 V HA 0.513 4.633 4.120 -0.000 0.000 0.302 517 V C -1.629 174.277 176.094 -0.315 0.000 1.035 517 V CA -0.490 61.389 62.300 -0.702 0.000 0.873 517 V CB 0.681 31.567 31.823 -1.561 0.000 0.992 517 V HN 0.588 nan 8.190 nan 0.000 0.428 518 W N 5.654 126.563 121.300 -0.651 0.000 2.496 518 W HA 0.742 5.402 4.660 -0.000 0.000 0.327 518 W C -0.657 175.430 176.519 -0.720 0.000 1.086 518 W CA -1.069 55.973 57.345 -0.505 0.000 1.222 518 W CB 1.115 30.324 29.460 -0.418 0.000 1.304 518 W HN 0.395 nan 8.180 nan 0.000 0.547 519 F N 0.936 120.913 119.950 0.045 0.000 2.565 519 F HA 0.433 4.960 4.527 -0.000 0.000 0.313 519 F C 0.415 176.225 175.800 0.017 0.000 1.091 519 F CA -1.074 56.935 58.000 0.015 0.000 0.915 519 F CB 1.720 40.721 39.000 0.001 0.000 1.208 519 F HN -0.036 nan 8.300 nan 0.000 0.453 520 S N 1.398 117.222 115.700 0.205 0.000 2.499 520 S HA 0.485 4.955 4.470 -0.000 0.000 0.279 520 S C -0.473 174.234 174.600 0.178 0.000 1.219 520 S CA -0.637 57.645 58.200 0.137 0.000 1.062 520 S CB 1.244 64.484 63.200 0.066 0.000 0.978 520 S HN 0.335 nan 8.310 nan 0.000 0.489 521 V N 4.857 124.858 119.914 0.145 0.000 2.270 521 V HA 0.164 4.284 4.120 -0.000 0.000 0.263 521 V C -0.555 175.672 176.094 0.220 0.000 1.066 521 V CA -0.718 61.670 62.300 0.147 0.000 0.857 521 V CB -0.168 31.703 31.823 0.081 0.000 1.099 521 V HN 0.882 nan 8.190 nan 0.000 0.476 522 W N 6.210 127.532 121.300 0.037 0.000 2.546 522 W HA 0.381 5.041 4.660 -0.000 0.000 0.323 522 W C -0.070 176.467 176.519 0.030 0.000 1.272 522 W CA -0.544 56.825 57.345 0.040 0.000 1.404 522 W CB 0.163 29.657 29.460 0.055 0.000 1.411 522 W HN 0.441 nan 8.180 nan 0.000 0.480 523 N N 2.669 121.525 118.700 0.260 0.000 2.457 523 N HA 0.575 5.315 4.740 -0.000 0.000 0.290 523 N C 0.030 175.587 175.510 0.079 0.000 1.232 523 N CA -0.334 52.750 53.050 0.056 0.000 0.852 523 N CB 1.610 40.127 38.487 0.050 0.000 1.313 523 N HN 0.479 nan 8.380 nan 0.000 0.522 524 G N 0.324 109.124 108.800 -0.001 0.000 2.630 524 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.236 524 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.236 524 G C 0.926 175.874 174.900 0.081 0.000 1.248 524 G CA -0.092 45.028 45.100 0.033 0.000 0.844 524 G HN 0.720 nan 8.290 nan 0.000 0.588 525 K N -0.416 120.040 120.400 0.093 0.000 2.152 525 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 525 K C 0.905 177.538 176.600 0.055 0.000 1.048 525 K CA 1.663 58.002 56.287 0.086 0.000 0.933 525 K CB 0.053 32.604 32.500 0.084 0.000 0.721 525 K HN 0.398 nan 8.250 nan 0.000 0.447 526 D N 0.407 120.830 120.400 0.037 0.000 2.325 526 D HA 0.045 4.685 4.640 -0.000 0.000 0.225 526 D C -0.013 176.298 176.300 0.018 0.000 1.096 526 D CA 0.320 54.333 54.000 0.022 0.000 0.844 526 D CB 0.423 41.230 40.800 0.011 0.000 0.925 526 D HN 0.186 nan 8.370 nan 0.000 0.513 527 Q N -0.154 119.661 119.800 0.025 0.000 2.486 527 Q HA 0.327 4.667 4.340 -0.000 0.000 0.274 527 Q C -0.319 175.697 176.000 0.027 0.000 1.076 527 Q CA -0.622 55.192 55.803 0.018 0.000 0.872 527 Q CB 1.303 30.047 28.738 0.011 0.000 1.383 527 Q HN 0.083 nan 8.270 nan 0.000 0.478 528 E N 0.307 120.519 120.200 0.020 0.000 2.200 528 E HA 0.391 4.741 4.350 -0.000 0.000 0.283 528 E C -0.886 175.735 176.600 0.035 0.000 1.015 528 E CA 0.004 56.417 56.400 0.021 0.000 0.819 528 E CB 0.857 30.561 29.700 0.007 0.000 1.081 528 E HN 0.386 nan 8.360 nan 0.000 0.397 529 S N 1.583 117.312 115.700 0.047 0.000 2.766 529 S HA 0.951 5.421 4.470 -0.000 0.000 0.307 529 S C -1.061 173.562 174.600 0.038 0.000 1.121 529 S CA -0.315 57.926 58.200 0.068 0.000 0.980 529 S CB 1.776 65.041 63.200 0.109 0.000 1.159 529 S HN 0.730 nan 8.310 nan 0.000 0.546 530 A N 0.416 123.261 122.820 0.041 0.000 2.566 530 A HA 0.701 5.021 4.320 -0.000 0.000 0.290 530 A C -2.254 175.332 177.584 0.003 0.000 1.071 530 A CA -0.715 51.322 52.037 0.001 0.000 0.658 530 A CB 0.630 19.613 19.000 -0.028 0.000 1.285 530 A HN 0.608 nan 8.150 nan 0.000 0.427 531 L N 0.746 121.936 121.223 -0.056 0.000 2.333 531 L HA 0.649 4.989 4.340 -0.000 0.000 0.280 531 L C -0.921 175.834 176.870 -0.190 0.000 1.004 531 L CA -1.048 53.739 54.840 -0.088 0.000 0.820 531 L CB 1.781 43.765 42.059 -0.125 0.000 1.247 531 L HN 0.427 nan 8.230 nan 0.000 0.416 532 V N 4.001 123.847 119.914 -0.114 0.000 2.398 532 V HA 0.350 4.470 4.120 -0.000 0.000 0.286 532 V C 0.020 175.993 176.094 -0.202 0.000 1.026 532 V CA -0.615 61.619 62.300 -0.110 0.000 0.868 532 V CB 2.184 34.064 31.823 0.095 0.000 0.982 532 V HN 0.429 nan 8.190 nan 0.000 0.443 533 V N 6.212 125.885 119.914 -0.402 0.000 2.350 533 V HA 0.390 4.510 4.120 -0.000 0.000 0.276 533 V C -0.028 175.959 176.094 -0.178 0.000 1.028 533 V CA -0.495 61.503 62.300 -0.503 0.000 0.860 533 V CB 1.596 32.872 31.823 -0.911 0.000 0.990 533 V HN 0.603 nan 8.190 nan 0.000 0.453 534 V N 3.735 123.643 119.914 -0.008 0.000 2.427 534 V HA 0.265 4.385 4.120 -0.000 0.000 0.286 534 V C 0.085 176.232 176.094 0.089 0.000 1.034 534 V CA -0.667 61.703 62.300 0.117 0.000 0.893 534 V CB 1.796 33.814 31.823 0.325 0.000 0.982 534 V HN 0.972 nan 8.190 nan 0.000 0.452 535 D N 2.792 123.241 120.400 0.082 0.000 2.346 535 D HA 0.022 4.662 4.640 -0.000 0.000 0.260 535 D C 1.011 177.434 176.300 0.206 0.000 1.252 535 D CA 0.113 54.182 54.000 0.114 0.000 0.895 535 D CB 0.894 41.736 40.800 0.070 0.000 1.097 535 D HN 0.706 nan 8.370 nan 0.000 0.489 536 D N 3.273 123.832 120.400 0.267 0.000 2.117 536 D HA -0.204 4.436 4.640 -0.000 0.000 0.197 536 D C 1.415 177.984 176.300 0.448 0.000 0.987 536 D CA 1.281 55.541 54.000 0.432 0.000 0.829 536 D CB 0.377 41.493 40.800 0.527 0.000 0.961 536 D HN 0.277 nan 8.370 nan 0.000 0.460 537 K N -0.733 119.858 120.400 0.318 0.000 2.057 537 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 537 K C 2.209 178.972 176.600 0.272 0.000 1.050 537 K CA 1.706 58.166 56.287 0.289 0.000 0.935 537 K CB -0.474 32.136 32.500 0.183 0.000 0.715 537 K HN 0.415 nan 8.250 nan 0.000 0.439 538 T N -1.727 112.941 114.554 0.189 0.000 3.044 538 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 538 T C 0.944 175.705 174.700 0.102 0.000 1.081 538 T CA -0.232 61.946 62.100 0.129 0.000 1.040 538 T CB -0.093 68.820 68.868 0.075 0.000 0.962 538 T HN 0.213 nan 8.240 nan 0.000 0.506 539 L N 0.500 121.801 121.223 0.131 0.000 3.717 539 L HA -0.156 4.184 4.340 -0.000 0.000 0.411 539 L C -0.377 176.606 176.870 0.188 0.000 1.233 539 L CA 0.410 55.328 54.840 0.130 0.000 0.917 539 L CB -1.978 40.053 42.059 -0.046 0.000 1.902 539 L HN 0.530 nan 8.230 nan 0.000 0.894 540 E N 0.036 120.285 120.200 0.083 0.000 2.277 540 E HA 0.532 4.882 4.350 -0.000 0.000 0.266 540 E C -0.392 176.007 176.600 -0.335 0.000 0.901 540 E CA -1.248 55.078 56.400 -0.124 0.000 0.782 540 E CB 2.568 32.195 29.700 -0.121 0.000 1.228 540 E HN 0.123 nan 8.360 nan 0.000 0.424 541 L N 2.495 123.176 121.223 -0.903 0.000 2.540 541 L HA -0.001 4.339 4.340 -0.000 0.000 0.276 541 L C 0.743 177.372 176.870 -0.401 0.000 1.212 541 L CA 0.823 55.166 54.840 -0.829 0.000 0.893 541 L CB 0.509 41.833 42.059 -1.224 0.000 1.138 541 L HN 0.490 nan 8.230 nan 0.000 0.491 542 K N 2.980 123.219 120.400 -0.268 0.000 2.262 542 K HA 0.181 4.501 4.320 -0.000 0.000 0.200 542 K C -0.476 176.003 176.600 -0.201 0.000 1.058 542 K CA 0.726 56.900 56.287 -0.188 0.000 0.974 542 K CB 0.094 32.516 32.500 -0.129 0.000 0.910 542 K HN 0.859 nan 8.250 nan 0.000 0.484 543 H N -1.803 116.990 119.070 -0.461 0.000 3.094 543 H HA 0.442 4.998 4.556 -0.000 0.000 0.335 543 H C -2.019 173.012 175.328 -0.495 0.000 1.254 543 H CA -0.765 54.963 56.048 -0.534 0.000 1.240 543 H CB 1.408 30.605 29.762 -0.941 0.000 1.936 543 H HN -0.175 nan 8.280 nan 0.000 0.536 544 V N 5.540 124.928 119.914 -0.877 0.000 2.409 544 V HA 0.355 4.475 4.120 -0.000 0.000 0.291 544 V C 0.081 175.834 176.094 -0.568 0.000 1.020 544 V CA -0.552 61.419 62.300 -0.550 0.000 0.848 544 V CB 1.187 32.797 31.823 -0.355 0.000 0.990 544 V HN 0.561 nan 8.190 nan 0.000 0.430 545 I N 5.330 125.705 120.570 -0.324 0.000 2.325 545 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 545 I C 0.107 176.155 176.117 -0.115 0.000 1.019 545 I CA -0.204 60.996 61.300 -0.166 0.000 1.302 545 I CB 0.919 38.829 38.000 -0.150 0.000 1.401 545 I HN 0.511 nan 8.210 nan 0.000 0.485 546 K N 5.056 125.410 120.400 -0.078 0.000 2.464 546 K HA 0.538 4.858 4.320 -0.000 0.000 0.253 546 K C -1.461 175.127 176.600 -0.020 0.000 0.933 546 K CA -0.861 55.397 56.287 -0.049 0.000 0.801 546 K CB 2.670 35.134 32.500 -0.060 0.000 1.271 546 K HN 0.520 nan 8.250 nan 0.000 0.430 547 D N 1.126 121.523 120.400 -0.006 0.000 2.722 547 D HA -0.006 4.634 4.640 -0.000 0.000 0.231 547 D C -0.100 176.205 176.300 0.010 0.000 1.218 547 D CA -0.231 53.771 54.000 0.003 0.000 0.753 547 D CB 2.025 42.831 40.800 0.010 0.000 1.471 547 D HN 0.493 nan 8.370 nan 0.000 0.455 548 E N 1.277 121.482 120.200 0.010 0.000 2.204 548 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 548 E C 1.545 178.157 176.600 0.020 0.000 0.990 548 E CA 1.439 57.847 56.400 0.013 0.000 0.821 548 E CB 0.198 29.905 29.700 0.010 0.000 0.750 548 E HN 0.333 nan 8.360 nan 0.000 0.477 549 R N -0.681 119.832 120.500 0.020 0.000 2.275 549 R HA 0.091 4.431 4.340 -0.000 0.000 0.199 549 R C 0.351 176.670 176.300 0.032 0.000 0.989 549 R CA -0.018 56.097 56.100 0.025 0.000 1.016 549 R CB -0.031 30.282 30.300 0.022 0.000 0.918 549 R HN 0.066 nan 8.270 nan 0.000 0.473 550 L N 2.046 123.288 121.223 0.032 0.000 2.384 550 L HA 0.129 4.469 4.340 -0.000 0.000 0.258 550 L C -0.780 176.120 176.870 0.050 0.000 1.266 550 L CA 0.017 54.880 54.840 0.039 0.000 1.162 550 L CB 0.504 42.582 42.059 0.032 0.000 1.375 550 L HN -0.206 nan 8.230 nan 0.000 0.420 551 V N 2.841 122.789 119.914 0.057 0.000 2.432 551 V HA 0.235 4.355 4.120 -0.000 0.000 0.275 551 V C 0.865 177.017 176.094 0.098 0.000 1.043 551 V CA -0.026 62.319 62.300 0.076 0.000 0.925 551 V CB 0.841 32.707 31.823 0.071 0.000 0.985 551 V HN 0.840 nan 8.190 nan 0.000 0.466 552 T N 4.045 118.692 114.554 0.154 0.000 3.433 552 T HA -0.119 4.231 4.350 -0.000 0.000 0.412 552 T C -1.673 173.045 174.700 0.030 0.000 0.768 552 T CA 0.001 62.237 62.100 0.226 0.000 2.077 552 T CB -1.711 67.330 68.868 0.288 0.000 1.700 552 T HN 0.592 nan 8.240 nan 0.000 0.666 553 P HA 0.276 nan 4.420 nan 0.000 0.276 553 P C 0.930 178.099 177.300 -0.218 0.000 1.235 553 P CA 0.064 63.128 63.100 -0.061 0.000 0.772 553 P CB 1.647 33.354 31.700 0.013 0.000 0.871 554 T N 0.632 115.009 114.554 -0.295 0.000 2.964 554 T HA 0.349 4.699 4.350 -0.000 0.000 0.161 554 T C 1.016 175.535 174.700 -0.302 0.000 0.859 554 T CA 0.122 61.961 62.100 -0.435 0.000 1.015 554 T CB -0.842 67.595 68.868 -0.718 0.000 2.138 554 T HN 0.337 nan 8.240 nan 0.000 0.367 555 G N 2.197 110.816 108.800 -0.302 0.000 2.398 555 G HA2 0.485 4.445 3.960 -0.000 0.000 0.246 555 G HA3 0.485 4.445 3.960 -0.000 0.000 0.246 555 G C -0.959 173.662 174.900 -0.463 0.000 1.289 555 G CA -0.402 44.440 45.100 -0.431 0.000 0.869 555 G HN 0.631 nan 8.290 nan 0.000 0.543 556 K N 1.168 121.132 120.400 -0.727 0.000 2.426 556 K HA 0.458 4.778 4.320 -0.000 0.000 0.254 556 K C -1.441 174.685 176.600 -0.790 0.000 0.936 556 K CA -0.424 55.586 56.287 -0.463 0.000 0.801 556 K CB 2.249 34.671 32.500 -0.129 0.000 1.139 556 K HN 0.406 nan 8.250 nan 0.000 0.424 557 F N 1.792 121.705 119.950 -0.062 0.000 2.553 557 F HA 0.239 4.766 4.527 -0.000 0.000 0.335 557 F C 0.356 175.973 175.800 -0.305 0.000 1.148 557 F CA -0.972 56.943 58.000 -0.142 0.000 0.963 557 F CB 1.392 40.341 39.000 -0.085 0.000 1.217 557 F HN 0.473 nan 8.300 nan 0.000 0.441 558 N N 2.648 121.114 118.700 -0.390 0.000 2.475 558 N HA 0.052 4.792 4.740 -0.000 0.000 0.267 558 N C 1.043 176.412 175.510 -0.234 0.000 1.169 558 N CA 0.014 52.625 53.050 -0.732 0.000 0.947 558 N CB 1.451 39.391 38.487 -0.912 0.000 1.061 558 N HN 0.482 nan 8.380 nan 0.000 0.466 559 V N 4.757 124.576 119.914 -0.158 0.000 2.231 559 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 559 V C 1.797 177.920 176.094 0.048 0.000 1.054 559 V CA 1.869 64.167 62.300 -0.004 0.000 1.015 559 V CB -1.055 30.798 31.823 0.050 0.000 0.638 559 V HN 0.759 nan 8.190 nan 0.000 0.444 560 Y N 1.159 121.440 120.300 -0.031 0.000 2.181 560 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 560 Y C 2.411 178.342 175.900 0.052 0.000 1.146 560 Y CA 2.253 60.366 58.100 0.022 0.000 1.164 560 Y CB -0.466 38.011 38.460 0.028 0.000 0.982 560 Y HN 0.364 nan 8.280 nan 0.000 0.515 561 N N -1.389 117.419 118.700 0.181 0.000 2.223 561 N HA -0.157 4.583 4.740 -0.000 0.000 0.185 561 N C 1.418 177.004 175.510 0.126 0.000 1.016 561 N CA 1.520 54.674 53.050 0.175 0.000 0.863 561 N CB -0.088 38.529 38.487 0.217 0.000 0.983 561 N HN 0.327 nan 8.380 nan 0.000 0.429 562 T N 1.509 116.115 114.554 0.086 0.000 2.894 562 T HA -0.058 4.292 4.350 -0.000 0.000 0.258 562 T C 2.031 176.754 174.700 0.039 0.000 1.043 562 T CA 0.724 62.881 62.100 0.094 0.000 1.141 562 T CB -0.088 68.819 68.868 0.065 0.000 0.873 562 T HN 0.348 nan 8.240 nan 0.000 0.449 563 M N 2.191 121.778 119.600 -0.021 0.000 2.213 563 M HA -0.053 4.427 4.480 -0.000 0.000 0.263 563 M C 1.990 178.253 176.300 -0.063 0.000 1.062 563 M CA 1.983 57.256 55.300 -0.045 0.000 1.105 563 M CB -0.843 31.720 32.600 -0.061 0.000 1.385 563 M HN 0.243 nan 8.290 nan 0.000 0.417 564 T N -3.766 110.706 114.554 -0.137 0.000 3.069 564 T HA 0.165 4.515 4.350 -0.000 0.000 0.252 564 T C -0.113 174.614 174.700 0.045 0.000 1.053 564 T CA 0.086 62.135 62.100 -0.084 0.000 0.964 564 T CB -0.299 68.379 68.868 -0.316 0.000 1.005 564 T HN 0.507 nan 8.240 nan 0.000 0.532 565 D N 1.254 121.702 120.400 0.080 0.000 2.705 565 D HA -0.108 4.532 4.640 -0.000 0.000 0.240 565 D C -0.737 175.517 176.300 -0.076 0.000 1.137 565 D CA 0.902 54.963 54.000 0.101 0.000 0.677 565 D CB -1.950 38.792 40.800 -0.096 0.000 1.049 565 D HN 0.441 nan 8.370 nan 0.000 0.427 566 T N 1.261 115.842 114.554 0.044 0.000 2.832 566 T HA 0.527 4.877 4.350 -0.000 0.000 0.313 566 T C -0.034 174.721 174.700 0.093 0.000 1.035 566 T CA -0.480 61.600 62.100 -0.033 0.000 0.950 566 T CB 0.385 69.272 68.868 0.031 0.000 0.984 566 T HN 0.289 nan 8.240 nan 0.000 0.486 567 Y N 0.000 120.374 120.300 0.123 0.000 2.660 567 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 567 Y CA 0.000 58.193 58.100 0.155 0.000 1.940 567 Y CB 0.000 38.591 38.460 0.219 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758