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 2uzx_1_B DATA FIRST_RESID 42 DATA SEQUENCE QLPNFTAETP IQNVILHEHH IFLGATNYIY VLNEEDLQKV AEYKTGPVLE DATA SEQUENCE XXXXXXXXXX XXXXXXXXXV WKDNINMALV VDTYYDDQLI ScGSVNRGTc DATA SEQUENCE QRHVFPHNHX XXXXSEVHCI FSXXXXEPSQ CPDCVVSALG AKVLSSVKDR DATA SEQUENCE FINFFVGNTI NSSYXXXXPL HSISVRRLKE TKDGFMFLTD QSYIDVLPEF DATA SEQUENCE RDSYPIKYVH AFESNNFIYF LTVQRETLDA QTFHTRIIRF CSINSGLHSY DATA SEQUENCE MEMPLEcILT XXXXXXXXXK EVFNILQAAY VSKPGAQLAR QIGASLNDDI DATA SEQUENCE LFAVFAQSKP DSAEPMDRSA McAFPIKYVN DFFNKIXXXX NVRCLQHFYG DATA SEQUENCE PNXXXXXXXX XXXXXXXXXX XXDEYRTEFT TALQRVDLFM GQFSEVLLTS DATA SEQUENCE ISTFIKGDLT IANLGTSEGR FMQVVVSRSG PSTPHVNFLL DSHPVSPEVI DATA SEQUENCE VEHTLNQNGY TLVITGKKIT KIPLNGLGcR HFQScSQcLS APPFVQcGWc DATA SEQUENCE HDKcVRSEEc LSGTWTQQIc LPAIYKVFPN SAPLEGGTRL TICGWDFGFR DATA SEQUENCE RNNKFDLKKT RVLLGNEScT LTLSESTMNT LKcTVGPXXX XXFNMSIIIS DATA SEQUENCE NGHGTTQYST FSYVDPV 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 42 Q C 0.000 175.960 176.000 -0.067 0.000 1.003 42 Q CA 0.000 55.765 55.803 -0.064 0.000 1.022 42 Q CB 0.000 28.685 28.738 -0.089 0.000 1.108 43 L N 0.134 121.314 121.223 -0.072 0.000 2.358 43 L HA 0.890 5.234 4.340 0.006 0.000 0.268 43 L C -2.307 174.523 176.870 -0.066 0.000 1.032 43 L CA -2.414 52.381 54.840 -0.076 0.000 0.805 43 L CB 0.309 42.313 42.059 -0.092 0.000 1.253 43 L HN -0.149 nan 8.230 nan 0.000 0.452 44 P HA 0.125 nan 4.420 nan 0.000 0.265 44 P C -1.310 175.961 177.300 -0.049 0.000 1.193 44 P CA 0.097 63.156 63.100 -0.068 0.000 0.765 44 P CB 0.242 31.879 31.700 -0.104 0.000 0.823 45 N N 2.052 120.742 118.700 -0.018 0.000 2.405 45 N HA 0.393 5.137 4.740 0.006 0.000 0.274 45 N C -2.003 173.544 175.510 0.061 0.000 1.170 45 N CA -0.665 52.388 53.050 0.005 0.000 0.848 45 N CB 1.640 40.112 38.487 -0.023 0.000 1.629 45 N HN 0.212 nan 8.380 nan 0.000 0.481 46 F N 1.130 121.020 119.950 -0.100 0.000 2.518 46 F HA 0.486 5.017 4.527 0.007 0.000 0.323 46 F C -0.977 174.734 175.800 -0.148 0.000 1.129 46 F CA -0.084 57.841 58.000 -0.125 0.000 0.920 46 F CB 1.982 40.900 39.000 -0.136 0.000 1.160 46 F HN 0.434 nan 8.300 nan 0.000 0.440 47 T N 5.738 119.753 114.554 -0.899 0.000 2.794 47 T HA 0.771 5.124 4.350 0.006 0.000 0.280 47 T C -0.022 174.024 174.700 -1.091 0.000 0.987 47 T CA -0.412 61.246 62.100 -0.736 0.000 0.993 47 T CB 1.372 69.978 68.868 -0.436 0.000 0.939 47 T HN 0.773 nan 8.240 nan 0.000 0.449 48 A N 1.918 124.332 122.820 -0.676 0.000 2.263 48 A HA 0.553 4.877 4.320 0.006 0.000 0.318 48 A C 1.110 178.519 177.584 -0.292 0.000 1.111 48 A CA -0.631 51.053 52.037 -0.590 0.000 0.901 48 A CB 0.565 19.302 19.000 -0.438 0.000 1.280 48 A HN 0.873 nan 8.150 nan 0.000 0.503 49 E N -0.835 119.286 120.200 -0.132 0.000 2.285 49 E HA 0.026 4.380 4.350 0.006 0.000 0.194 49 E C 0.014 176.628 176.600 0.024 0.000 0.997 49 E CA 1.348 57.718 56.400 -0.050 0.000 0.845 49 E CB 0.076 29.750 29.700 -0.043 0.000 0.782 49 E HN 0.793 nan 8.360 nan 0.000 0.491 50 T N -2.087 112.517 114.554 0.083 0.000 2.821 50 T HA 0.334 4.688 4.350 0.006 0.000 0.306 50 T C -3.001 171.752 174.700 0.088 0.000 1.313 50 T CA -2.138 60.022 62.100 0.101 0.000 1.012 50 T CB 1.556 70.529 68.868 0.175 0.000 1.298 50 T HN -0.333 nan 8.240 nan 0.000 0.502 51 P HA 0.106 nan 4.420 nan 0.000 0.263 51 P C -0.410 176.948 177.300 0.096 0.000 1.168 51 P CA -0.088 63.038 63.100 0.042 0.000 0.759 51 P CB 0.139 31.872 31.700 0.055 0.000 0.782 52 I N 3.607 124.221 120.570 0.073 0.000 2.315 52 I HA 0.162 4.336 4.170 0.006 0.000 0.291 52 I C 1.197 177.384 176.117 0.117 0.000 1.006 52 I CA -0.102 61.271 61.300 0.122 0.000 1.265 52 I CB 1.047 39.110 38.000 0.104 0.000 1.387 52 I HN 0.401 nan 8.210 nan 0.000 0.475 53 Q N 3.552 123.435 119.800 0.139 0.000 2.324 53 Q HA 0.221 4.565 4.340 0.006 0.000 0.207 53 Q C -0.013 176.068 176.000 0.134 0.000 0.928 53 Q CA 0.921 56.802 55.803 0.129 0.000 0.890 53 Q CB 0.527 29.340 28.738 0.125 0.000 1.001 53 Q HN 0.594 nan 8.270 nan 0.000 0.517 54 N N -0.773 118.015 118.700 0.147 0.000 2.329 54 N HA 0.468 5.212 4.740 0.006 0.000 0.282 54 N C -1.696 173.913 175.510 0.166 0.000 1.198 54 N CA -0.342 52.797 53.050 0.147 0.000 0.790 54 N CB 2.862 41.428 38.487 0.132 0.000 1.579 54 N HN -0.225 nan 8.380 nan 0.000 0.475 55 V N 2.331 122.343 119.914 0.163 0.000 2.569 55 V HA 0.536 4.659 4.120 0.006 0.000 0.301 55 V C -0.162 176.043 176.094 0.185 0.000 1.044 55 V CA -0.756 61.653 62.300 0.182 0.000 0.874 55 V CB 1.797 33.718 31.823 0.163 0.000 1.002 55 V HN 0.603 nan 8.190 nan 0.000 0.424 56 I N 2.903 123.608 120.570 0.225 0.000 2.846 56 I HA 0.845 5.019 4.170 0.006 0.000 0.307 56 I C -1.246 175.048 176.117 0.294 0.000 1.053 56 I CA -1.167 60.264 61.300 0.218 0.000 1.050 56 I CB 2.249 40.346 38.000 0.161 0.000 1.239 56 I HN 0.545 nan 8.210 nan 0.000 0.439 57 L N 3.744 125.123 121.223 0.261 0.000 2.346 57 L HA 0.627 4.971 4.340 0.006 0.000 0.276 57 L C -1.328 175.735 176.870 0.321 0.000 1.006 57 L CA -0.027 54.983 54.840 0.282 0.000 0.817 57 L CB 1.485 43.667 42.059 0.205 0.000 1.272 57 L HN 0.834 nan 8.230 nan 0.000 0.421 58 H N 3.579 122.794 119.070 0.242 0.000 3.224 58 H HA 0.370 4.930 4.556 0.006 0.000 0.331 58 H C -1.096 174.306 175.328 0.124 0.000 1.002 58 H CA -0.338 55.810 56.048 0.166 0.000 1.473 58 H CB 0.820 30.684 29.762 0.170 0.000 1.830 58 H HN 0.688 nan 8.280 nan 0.000 0.485 59 E N 5.641 125.575 120.200 -0.443 0.000 2.202 59 E HA -0.278 4.076 4.350 0.006 0.000 0.169 59 E C -0.093 176.309 176.600 -0.329 0.000 1.536 59 E CA 1.515 57.580 56.400 -0.558 0.000 0.664 59 E CB -1.401 27.957 29.700 -0.570 0.000 1.064 59 E HN 0.967 nan 8.360 nan 0.000 0.327 60 H N -2.690 116.355 119.070 -0.041 0.000 3.641 60 H HA -0.189 4.370 4.556 0.007 0.000 0.193 60 H C 0.144 175.308 175.328 -0.273 0.000 1.013 60 H CA 1.672 57.639 56.048 -0.135 0.000 1.212 60 H CB -1.374 28.267 29.762 -0.202 0.000 1.089 60 H HN 0.580 nan 8.280 nan 0.000 0.339 61 H N 0.191 119.301 119.070 0.067 0.000 2.489 61 H HA 0.361 4.921 4.556 0.006 0.000 0.343 61 H C 0.752 176.069 175.328 -0.018 0.000 1.086 61 H CA -0.713 55.313 56.048 -0.036 0.000 1.198 61 H CB 1.512 31.213 29.762 -0.101 0.000 1.490 61 H HN -0.015 nan 8.280 nan 0.000 0.504 62 I N 3.749 124.296 120.570 -0.039 0.000 2.396 62 I HA 0.151 4.325 4.170 0.006 0.000 0.292 62 I C -0.072 175.936 176.117 -0.181 0.000 0.999 62 I CA -0.210 61.090 61.300 0.001 0.000 1.310 62 I CB 0.238 38.218 38.000 -0.033 0.000 1.404 62 I HN 0.344 nan 8.210 nan 0.000 0.496 63 F N 5.814 125.835 119.950 0.117 0.000 2.467 63 F HA 0.494 5.025 4.527 0.007 0.000 0.336 63 F C -0.021 175.855 175.800 0.126 0.000 1.123 63 F CA -0.571 57.499 58.000 0.116 0.000 0.964 63 F CB 1.501 40.569 39.000 0.113 0.000 1.136 63 F HN 0.115 nan 8.300 nan 0.000 0.447 64 L N 3.074 124.470 121.223 0.290 0.000 2.307 64 L HA 0.637 4.980 4.340 0.006 0.000 0.284 64 L C 0.445 177.492 176.870 0.296 0.000 1.023 64 L CA -0.908 54.106 54.840 0.291 0.000 0.810 64 L CB 1.621 43.885 42.059 0.340 0.000 1.231 64 L HN 0.766 nan 8.230 nan 0.000 0.423 65 G N 2.123 111.069 108.800 0.244 0.000 2.607 65 G HA2 0.613 4.577 3.960 0.006 0.000 0.332 65 G HA3 0.613 4.577 3.960 0.006 0.000 0.332 65 G C -0.282 174.749 174.900 0.219 0.000 1.046 65 G CA -0.090 45.134 45.100 0.206 0.000 1.099 65 G HN 0.724 nan 8.290 nan 0.000 0.451 66 A N 2.337 125.312 122.820 0.258 0.000 2.346 66 A HA 0.851 5.175 4.320 0.006 0.000 0.313 66 A C 0.505 178.220 177.584 0.218 0.000 1.140 66 A CA -0.614 51.590 52.037 0.279 0.000 0.826 66 A CB 0.943 20.224 19.000 0.468 0.000 1.332 66 A HN 0.463 nan 8.150 nan 0.000 0.457 67 T N 2.740 117.414 114.554 0.200 0.000 2.761 67 T HA 0.245 4.599 4.350 0.006 0.000 0.287 67 T C 0.286 175.075 174.700 0.148 0.000 0.931 67 T CA 0.765 62.953 62.100 0.147 0.000 1.164 67 T CB -0.425 68.517 68.868 0.123 0.000 0.876 67 T HN 0.702 nan 8.240 nan 0.000 0.534 68 N N 0.834 119.560 118.700 0.045 0.000 2.984 68 N HA -0.167 4.577 4.740 0.006 0.000 0.227 68 N C -0.831 174.430 175.510 -0.415 0.000 0.903 68 N CA 1.339 54.300 53.050 -0.148 0.000 0.995 68 N CB -1.320 37.061 38.487 -0.177 0.000 1.065 68 N HN 0.719 nan 8.380 nan 0.000 0.585 69 Y N -0.280 120.009 120.300 -0.018 0.000 2.588 69 Y HA 0.699 5.253 4.550 0.006 0.000 0.343 69 Y C -0.085 175.702 175.900 -0.188 0.000 1.065 69 Y CA -0.839 57.147 58.100 -0.190 0.000 1.038 69 Y CB 1.765 39.948 38.460 -0.461 0.000 1.297 69 Y HN -0.163 nan 8.280 nan 0.000 0.467 70 I N 2.838 123.370 120.570 -0.062 0.000 2.439 70 I HA 0.295 4.468 4.170 0.006 0.000 0.283 70 I C -1.410 174.650 176.117 -0.096 0.000 1.023 70 I CA -0.722 60.577 61.300 -0.002 0.000 1.100 70 I CB 1.107 39.148 38.000 0.068 0.000 1.238 70 I HN 0.504 nan 8.210 nan 0.000 0.445 71 Y N 5.030 125.429 120.300 0.164 0.000 2.352 71 Y HA 0.487 5.041 4.550 0.006 0.000 0.326 71 Y C 0.287 176.134 175.900 -0.089 0.000 1.166 71 Y CA -0.825 57.303 58.100 0.047 0.000 1.182 71 Y CB 1.645 40.115 38.460 0.017 0.000 1.216 71 Y HN 0.150 nan 8.280 nan 0.000 0.474 72 V N 5.079 124.965 119.914 -0.046 0.000 2.320 72 V HA 0.251 4.375 4.120 0.006 0.000 0.268 72 V C -0.174 175.766 176.094 -0.256 0.000 1.021 72 V CA -0.681 61.424 62.300 -0.325 0.000 0.813 72 V CB -0.140 31.463 31.823 -0.367 0.000 1.054 72 V HN 0.618 nan 8.190 nan 0.000 0.444 73 L N 2.239 123.279 121.223 -0.304 0.000 2.479 73 L HA 0.534 4.877 4.340 0.006 0.000 0.249 73 L C 0.460 177.215 176.870 -0.192 0.000 1.178 73 L CA -0.400 54.248 54.840 -0.320 0.000 0.811 73 L CB 0.612 42.421 42.059 -0.417 0.000 1.187 73 L HN 0.443 nan 8.230 nan 0.000 0.480 74 N N 0.379 118.967 118.700 -0.187 0.000 2.476 74 N HA 0.045 4.789 4.740 0.006 0.000 0.257 74 N C 0.597 175.991 175.510 -0.193 0.000 0.970 74 N CA -0.170 52.764 53.050 -0.194 0.000 0.938 74 N CB 1.304 39.695 38.487 -0.161 0.000 1.144 74 N HN 0.660 nan 8.380 nan 0.000 0.500 75 E N 2.588 122.678 120.200 -0.184 0.000 2.164 75 E HA -0.338 4.016 4.350 0.006 0.000 0.206 75 E C 0.769 177.240 176.600 -0.214 0.000 1.032 75 E CA 1.758 58.071 56.400 -0.145 0.000 0.832 75 E CB 0.165 29.837 29.700 -0.046 0.000 0.742 75 E HN 0.759 nan 8.360 nan 0.000 0.460 76 E N -0.016 120.065 120.200 -0.200 0.000 2.058 76 E HA -0.207 4.147 4.350 0.006 0.000 0.194 76 E C 0.653 177.139 176.600 -0.189 0.000 0.997 76 E CA 1.740 58.022 56.400 -0.196 0.000 0.801 76 E CB 0.115 29.715 29.700 -0.168 0.000 0.746 76 E HN 0.472 nan 8.360 nan 0.000 0.450 77 D N -1.644 118.660 120.400 -0.159 0.000 2.620 77 D HA 0.070 4.714 4.640 0.006 0.000 0.260 77 D C 0.343 176.577 176.300 -0.111 0.000 1.367 77 D CA -0.223 53.700 54.000 -0.128 0.000 0.805 77 D CB -0.354 40.390 40.800 -0.094 0.000 1.096 77 D HN 0.195 nan 8.370 nan 0.000 0.488 78 L N -0.557 120.582 121.223 -0.140 0.000 3.976 78 L HA -0.291 4.052 4.340 0.006 0.000 0.418 78 L C 0.118 176.898 176.870 -0.150 0.000 1.177 78 L CA 0.467 55.224 54.840 -0.139 0.000 0.968 78 L CB -1.525 40.491 42.059 -0.071 0.000 1.933 78 L HN 0.271 nan 8.230 nan 0.000 0.976 79 Q N 1.798 121.521 119.800 -0.128 0.000 2.314 79 Q HA 0.221 4.565 4.340 0.006 0.000 0.258 79 Q C 0.320 176.218 176.000 -0.170 0.000 0.954 79 Q CA 0.113 55.860 55.803 -0.094 0.000 0.890 79 Q CB 1.015 29.720 28.738 -0.056 0.000 1.210 79 Q HN 0.164 nan 8.270 nan 0.000 0.410 80 K N 3.688 123.995 120.400 -0.155 0.000 2.349 80 K HA 0.122 4.446 4.320 0.006 0.000 0.289 80 K C -0.415 176.155 176.600 -0.050 0.000 1.064 80 K CA -0.152 56.021 56.287 -0.190 0.000 0.947 80 K CB 0.351 32.827 32.500 -0.040 0.000 1.007 80 K HN 0.664 nan 8.250 nan 0.000 0.478 81 V N 3.174 123.058 119.914 -0.051 0.000 2.922 81 V HA 0.214 4.338 4.120 0.006 0.000 0.242 81 V C 0.347 176.462 176.094 0.035 0.000 1.094 81 V CA 1.034 63.340 62.300 0.011 0.000 1.106 81 V CB 0.558 32.407 31.823 0.042 0.000 0.799 81 V HN 0.895 nan 8.190 nan 0.000 0.474 82 A N 0.332 123.166 122.820 0.024 0.000 2.602 82 A HA 0.834 5.158 4.320 0.006 0.000 0.290 82 A C -1.202 176.433 177.584 0.084 0.000 1.114 82 A CA -0.447 51.626 52.037 0.060 0.000 0.683 82 A CB 1.777 20.813 19.000 0.060 0.000 1.281 82 A HN 0.379 nan 8.150 nan 0.000 0.416 83 E N -0.934 119.336 120.200 0.117 0.000 2.437 83 E HA 0.640 4.994 4.350 0.006 0.000 0.280 83 E C -1.980 174.740 176.600 0.201 0.000 1.044 83 E CA -0.729 55.734 56.400 0.106 0.000 0.826 83 E CB 1.676 31.416 29.700 0.067 0.000 1.358 83 E HN 0.816 nan 8.360 nan 0.000 0.459 84 Y N 0.693 121.012 120.300 0.031 0.000 2.362 84 Y HA 0.314 4.868 4.550 0.007 0.000 0.326 84 Y C -1.188 174.724 175.900 0.020 0.000 1.083 84 Y CA -0.885 57.253 58.100 0.063 0.000 1.073 84 Y CB 2.085 40.599 38.460 0.089 0.000 1.211 84 Y HN 0.624 nan 8.280 nan 0.000 0.433 85 K N 3.910 124.126 120.400 -0.306 0.000 2.167 85 K HA 0.101 4.425 4.320 0.006 0.000 0.275 85 K C 0.715 177.109 176.600 -0.343 0.000 1.103 85 K CA 0.509 56.502 56.287 -0.489 0.000 0.963 85 K CB 0.351 32.580 32.500 -0.452 0.000 1.243 85 K HN 0.841 nan 8.250 nan 0.000 0.407 86 T N 1.013 115.486 114.554 -0.135 0.000 3.163 86 T HA 0.063 4.417 4.350 0.006 0.000 0.260 86 T C 1.081 175.724 174.700 -0.096 0.000 1.156 86 T CA 0.056 62.170 62.100 0.023 0.000 1.072 86 T CB -0.478 68.450 68.868 0.099 0.000 0.937 86 T HN 0.727 nan 8.240 nan 0.000 0.528 87 G N 2.432 111.062 108.800 -0.284 0.000 2.909 87 G HA2 -0.145 3.819 3.960 0.006 0.000 0.385 87 G HA3 -0.145 3.819 3.960 0.006 0.000 0.385 87 G C -2.855 171.970 174.900 -0.126 0.000 1.436 87 G CA -0.644 44.301 45.100 -0.258 0.000 0.949 87 G HN 0.451 nan 8.290 nan 0.000 0.556 88 P HA 0.420 nan 4.420 nan 0.000 0.279 88 P C -0.039 177.352 177.300 0.152 0.000 1.318 88 P CA -0.410 62.659 63.100 -0.052 0.000 0.819 88 P CB 1.148 32.669 31.700 -0.297 0.000 0.927 89 V N 5.165 125.189 119.914 0.184 0.000 2.644 89 V HA 0.359 4.483 4.120 0.006 0.000 0.295 89 V C 0.862 177.122 176.094 0.277 0.000 1.053 89 V CA -0.429 61.998 62.300 0.211 0.000 0.987 89 V CB 1.032 32.920 31.823 0.108 0.000 1.006 89 V HN 0.354 nan 8.190 nan 0.000 0.472 90 L N 2.041 123.353 121.223 0.148 0.000 2.299 90 L HA 1.029 5.373 4.340 0.006 0.000 0.268 90 L C -0.235 176.614 176.870 -0.035 0.000 1.012 90 L CA -0.634 54.186 54.840 -0.033 0.000 0.816 90 L CB 1.631 43.439 42.059 -0.419 0.000 1.355 90 L HN 0.880 nan 8.230 nan 0.000 0.457 112 W N 4.884 126.190 121.300 0.009 0.000 2.409 112 W HA 0.188 4.851 4.660 0.006 0.000 0.338 112 W C 0.582 177.108 176.519 0.011 0.000 1.273 112 W CA 0.477 57.827 57.345 0.009 0.000 1.299 112 W CB 0.341 29.806 29.460 0.009 0.000 1.192 112 W HN 0.473 nan 8.180 nan 0.000 0.565 113 K N 2.191 122.784 120.400 0.322 0.000 2.395 113 K HA 0.306 4.630 4.320 0.006 0.000 0.245 113 K C -0.804 175.868 176.600 0.120 0.000 1.017 113 K CA -1.054 55.334 56.287 0.168 0.000 0.852 113 K CB 1.903 34.474 32.500 0.118 0.000 1.311 113 K HN 0.143 nan 8.250 nan 0.000 0.452 114 D N 1.208 121.652 120.400 0.074 0.000 2.163 114 D HA 0.136 4.780 4.640 0.006 0.000 0.248 114 D C -0.568 175.762 176.300 0.050 0.000 1.035 114 D CA -0.326 53.702 54.000 0.046 0.000 0.872 114 D CB 1.160 41.983 40.800 0.038 0.000 1.183 114 D HN 0.257 nan 8.370 nan 0.000 0.445 115 N N 2.073 120.796 118.700 0.039 0.000 3.105 115 N HA 0.202 4.946 4.740 0.006 0.000 0.256 115 N C -0.594 174.951 175.510 0.059 0.000 1.174 115 N CA -0.341 52.736 53.050 0.045 0.000 1.030 115 N CB -0.166 38.341 38.487 0.034 0.000 1.305 115 N HN 0.354 nan 8.380 nan 0.000 0.509 116 I N 1.368 121.978 120.570 0.066 0.000 2.517 116 I HA -0.002 4.172 4.170 0.006 0.000 0.285 116 I C 1.221 177.390 176.117 0.086 0.000 1.106 116 I CA -0.185 61.164 61.300 0.080 0.000 1.402 116 I CB 0.274 38.321 38.000 0.077 0.000 1.399 116 I HN 0.324 nan 8.210 nan 0.000 0.535 117 N N 6.707 125.468 118.700 0.102 0.000 2.492 117 N HA 0.032 4.776 4.740 0.006 0.000 0.262 117 N C 0.322 175.891 175.510 0.100 0.000 1.202 117 N CA 0.053 53.167 53.050 0.105 0.000 0.926 117 N CB 0.843 39.405 38.487 0.125 0.000 1.078 117 N HN 0.574 nan 8.380 nan 0.000 0.454 118 M N 1.546 121.201 119.600 0.092 0.000 2.338 118 M HA 0.308 4.791 4.480 0.006 0.000 0.276 118 M C -0.142 176.209 176.300 0.084 0.000 1.057 118 M CA 0.021 55.373 55.300 0.086 0.000 1.079 118 M CB -0.180 32.465 32.600 0.074 0.000 1.547 118 M HN 0.525 nan 8.290 nan 0.000 0.549 119 A N 0.858 123.729 122.820 0.085 0.000 2.597 119 A HA 0.711 5.035 4.320 0.006 0.000 0.292 119 A C -1.908 175.720 177.584 0.074 0.000 1.057 119 A CA -0.600 51.479 52.037 0.070 0.000 0.674 119 A CB 1.550 20.582 19.000 0.054 0.000 1.278 119 A HN 0.078 nan 8.150 nan 0.000 0.416 120 L N 0.739 121.991 121.223 0.049 0.000 2.431 120 L HA 0.767 5.111 4.340 0.006 0.000 0.266 120 L C -0.949 175.914 176.870 -0.012 0.000 0.978 120 L CA -0.652 54.207 54.840 0.032 0.000 0.822 120 L CB 1.503 43.590 42.059 0.048 0.000 1.310 120 L HN 0.594 nan 8.230 nan 0.000 0.409 121 V N 3.702 123.602 119.914 -0.024 0.000 2.577 121 V HA 0.429 4.553 4.120 0.006 0.000 0.294 121 V C -0.223 175.838 176.094 -0.055 0.000 1.052 121 V CA -0.618 61.650 62.300 -0.054 0.000 0.891 121 V CB 2.580 34.345 31.823 -0.096 0.000 1.017 121 V HN 0.449 nan 8.190 nan 0.000 0.436 122 V N 3.911 123.755 119.914 -0.116 0.000 2.644 122 V HA 0.604 4.728 4.120 0.006 0.000 0.295 122 V C -0.406 175.626 176.094 -0.103 0.000 1.053 122 V CA -0.067 62.122 62.300 -0.184 0.000 0.987 122 V CB 1.843 33.429 31.823 -0.395 0.000 1.006 122 V HN 0.879 nan 8.190 nan 0.000 0.472 123 D N 1.327 121.680 120.400 -0.077 0.000 2.977 123 D HA 0.279 4.923 4.640 0.006 0.000 0.220 123 D C 0.027 176.333 176.300 0.011 0.000 1.267 123 D CA -0.130 53.862 54.000 -0.015 0.000 0.884 123 D CB 2.501 43.311 40.800 0.016 0.000 1.667 123 D HN 0.677 nan 8.370 nan 0.000 0.536 124 T N -0.296 114.289 114.554 0.052 0.000 3.182 124 T HA 0.050 4.404 4.350 0.006 0.000 0.277 124 T C 1.406 176.137 174.700 0.051 0.000 1.013 124 T CA -0.289 61.858 62.100 0.078 0.000 0.900 124 T CB -0.312 68.634 68.868 0.130 0.000 1.098 124 T HN 0.368 nan 8.240 nan 0.000 0.543 125 Y N 1.643 121.876 120.300 -0.112 0.000 2.070 125 Y HA -0.125 4.428 4.550 0.005 0.000 0.279 125 Y C 1.740 177.555 175.900 -0.143 0.000 1.134 125 Y CA 1.639 59.620 58.100 -0.197 0.000 1.113 125 Y CB -0.272 37.948 38.460 -0.400 0.000 0.981 125 Y HN 0.208 nan 8.280 nan 0.000 0.487 126 Y N 0.518 120.945 120.300 0.211 0.000 2.196 126 Y HA -0.004 4.549 4.550 0.006 0.000 0.265 126 Y C 0.591 176.493 175.900 0.002 0.000 1.076 126 Y CA 0.895 59.040 58.100 0.075 0.000 1.070 126 Y CB -0.962 37.535 38.460 0.062 0.000 1.009 126 Y HN 0.194 nan 8.280 nan 0.000 0.473 127 D N -1.350 119.169 120.400 0.198 0.000 2.601 127 D HA 0.141 4.785 4.640 0.006 0.000 0.230 127 D C -1.469 174.874 176.300 0.071 0.000 1.106 127 D CA -0.882 53.175 54.000 0.094 0.000 0.873 127 D CB 0.673 41.509 40.800 0.059 0.000 1.515 127 D HN 0.061 nan 8.370 nan 0.000 0.468 128 D N 1.308 121.768 120.400 0.100 0.000 2.479 128 D HA 0.069 4.713 4.640 0.006 0.000 0.257 128 D C 0.186 176.448 176.300 -0.064 0.000 1.230 128 D CA 0.865 54.975 54.000 0.183 0.000 0.912 128 D CB 0.394 41.421 40.800 0.379 0.000 1.130 128 D HN 0.503 nan 8.370 nan 0.000 0.515 129 Q N 0.700 120.365 119.800 -0.226 0.000 2.687 129 Q HA 0.553 4.897 4.340 0.006 0.000 0.295 129 Q C -1.952 173.787 176.000 -0.434 0.000 0.920 129 Q CA -1.126 54.293 55.803 -0.641 0.000 0.766 129 Q CB 1.410 29.964 28.738 -0.306 0.000 1.467 129 Q HN 0.254 nan 8.270 nan 0.000 0.415 130 L N 1.576 122.540 121.223 -0.431 0.000 2.343 130 L HA 0.601 4.945 4.340 0.006 0.000 0.278 130 L C -1.649 175.212 176.870 -0.014 0.000 0.996 130 L CA -0.502 54.220 54.840 -0.196 0.000 0.831 130 L CB 1.562 43.475 42.059 -0.244 0.000 1.232 130 L HN 0.746 nan 8.230 nan 0.000 0.413 131 I N 4.240 124.835 120.570 0.041 0.000 2.428 131 I HA 0.512 4.686 4.170 0.006 0.000 0.289 131 I C 0.007 176.219 176.117 0.159 0.000 1.019 131 I CA -0.180 61.210 61.300 0.150 0.000 1.351 131 I CB 1.487 39.650 38.000 0.270 0.000 1.412 131 I HN 0.805 nan 8.210 nan 0.000 0.513 132 S N 4.673 120.489 115.700 0.193 0.000 2.547 132 S HA 0.637 5.111 4.470 0.006 0.000 0.281 132 S C -1.036 173.658 174.600 0.156 0.000 1.118 132 S CA -0.820 57.477 58.200 0.161 0.000 0.947 132 S CB 1.524 64.814 63.200 0.150 0.000 1.053 132 S HN 0.610 nan 8.310 nan 0.000 0.482 133 c N 2.263 120.942 118.600 0.131 0.000 2.408 133 c HA 0.947 5.521 4.570 0.006 0.000 0.321 133 c C 1.139 175.277 174.090 0.081 0.000 1.245 133 c CA -0.433 55.956 56.329 0.101 0.000 1.523 133 c CB 0.571 43.141 42.510 0.100 0.000 2.178 133 c HN 1.174 nan 8.230 nan 0.000 0.488 134 G N 1.036 109.873 108.800 0.062 0.000 2.753 134 G HA2 0.564 4.528 3.960 0.006 0.000 0.285 134 G HA3 0.564 4.528 3.960 0.006 0.000 0.285 134 G C 0.358 175.280 174.900 0.038 0.000 1.344 134 G CA -0.085 45.049 45.100 0.057 0.000 1.050 134 G HN 0.918 nan 8.290 nan 0.000 0.532 135 S N -1.239 114.485 115.700 0.040 0.000 2.664 135 S HA 0.303 4.777 4.470 0.006 0.000 0.245 135 S C 0.831 175.447 174.600 0.027 0.000 1.019 135 S CA -0.149 58.072 58.200 0.034 0.000 0.996 135 S CB 0.608 63.836 63.200 0.047 0.000 0.878 135 S HN 0.234 nan 8.310 nan 0.000 0.493 136 V N 1.409 121.335 119.914 0.019 0.000 2.735 136 V HA 0.214 4.338 4.120 0.006 0.000 0.234 136 V C 0.634 176.724 176.094 -0.006 0.000 1.121 136 V CA 0.433 62.745 62.300 0.021 0.000 1.160 136 V CB -0.441 31.404 31.823 0.037 0.000 0.908 136 V HN 0.458 nan 8.190 nan 0.000 0.495 137 N N 1.737 120.414 118.700 -0.038 0.000 3.259 137 N HA 0.189 4.933 4.740 0.006 0.000 0.308 137 N C 0.302 175.726 175.510 -0.144 0.000 1.334 137 N CA -0.034 52.959 53.050 -0.095 0.000 1.202 137 N CB -0.164 38.238 38.487 -0.142 0.000 1.485 137 N HN 0.297 nan 8.380 nan 0.000 0.549 138 R N 0.635 121.087 120.500 -0.080 0.000 3.336 138 R HA -0.198 4.146 4.340 0.006 0.000 0.260 138 R C 0.598 176.847 176.300 -0.085 0.000 1.032 138 R CA 0.794 56.851 56.100 -0.073 0.000 0.693 138 R CB -2.231 28.020 30.300 -0.082 0.000 1.134 138 R HN 0.611 nan 8.270 nan 0.000 0.433 139 G N -0.206 108.558 108.800 -0.060 0.000 2.273 139 G HA2 -0.329 3.635 3.960 0.006 0.000 0.280 139 G HA3 -0.329 3.635 3.960 0.006 0.000 0.280 139 G C 0.117 174.975 174.900 -0.071 0.000 1.047 139 G CA 0.632 45.706 45.100 -0.044 0.000 0.869 139 G HN 0.807 nan 8.290 nan 0.000 0.502 140 T N -0.626 113.867 114.554 -0.101 0.000 2.889 140 T HA 0.519 4.873 4.350 0.006 0.000 0.291 140 T C 1.020 175.703 174.700 -0.029 0.000 0.995 140 T CA 0.153 62.182 62.100 -0.119 0.000 1.092 140 T CB 0.384 69.100 68.868 -0.253 0.000 0.954 140 T HN 0.477 nan 8.240 nan 0.000 0.506 141 c N 4.238 122.850 118.600 0.021 0.000 2.335 141 c HA 0.748 5.322 4.570 0.006 0.000 0.363 141 c C -0.075 174.063 174.090 0.079 0.000 1.198 141 c CA -0.679 55.705 56.329 0.092 0.000 2.279 141 c CB 0.773 43.389 42.510 0.178 0.000 2.334 141 c HN 0.966 nan 8.230 nan 0.000 0.559 142 Q N 0.285 120.128 119.800 0.072 0.000 2.340 142 Q HA 0.578 4.922 4.340 0.006 0.000 0.276 142 Q C -1.438 174.516 176.000 -0.077 0.000 1.048 142 Q CA -0.749 55.044 55.803 -0.018 0.000 0.832 142 Q CB 1.356 30.048 28.738 -0.077 0.000 1.373 142 Q HN 0.594 nan 8.270 nan 0.000 0.409 143 R N 1.426 121.851 120.500 -0.125 0.000 2.441 143 R HA 0.334 4.678 4.340 0.006 0.000 0.284 143 R C -0.602 175.490 176.300 -0.348 0.000 1.070 143 R CA -0.336 55.683 56.100 -0.135 0.000 1.047 143 R CB 0.673 30.924 30.300 -0.082 0.000 1.016 143 R HN 0.540 nan 8.270 nan 0.000 0.477 144 H N 2.173 121.133 119.070 -0.183 0.000 2.792 144 H HA 0.187 4.747 4.556 0.006 0.000 0.298 144 H C -0.740 174.331 175.328 -0.429 0.000 1.042 144 H CA -0.479 55.414 56.048 -0.259 0.000 1.300 144 H CB 1.285 30.900 29.762 -0.245 0.000 1.431 144 H HN 0.194 nan 8.280 nan 0.000 0.496 145 V N 5.161 124.953 119.914 -0.204 0.000 2.465 145 V HA 0.168 4.292 4.120 0.006 0.000 0.279 145 V C 0.279 176.265 176.094 -0.181 0.000 1.045 145 V CA -0.388 61.751 62.300 -0.269 0.000 0.938 145 V CB 0.386 32.175 31.823 -0.056 0.000 0.986 145 V HN 0.469 nan 8.190 nan 0.000 0.467 146 F N 5.433 125.448 119.950 0.109 0.000 2.412 146 F HA 0.407 4.937 4.527 0.006 0.000 0.348 146 F C -1.741 174.140 175.800 0.135 0.000 1.102 146 F CA -2.103 55.976 58.000 0.131 0.000 1.196 146 F CB 0.637 39.728 39.000 0.152 0.000 1.144 146 F HN 0.343 nan 8.300 nan 0.000 0.541 147 P HA 0.257 nan 4.420 nan 0.000 0.219 147 P C -0.532 176.993 177.300 0.374 0.000 1.847 147 P CA 0.254 63.504 63.100 0.250 0.000 1.059 147 P CB 0.086 31.867 31.700 0.136 0.000 1.900 148 H N 1.025 120.227 119.070 0.221 0.000 1.464 148 H HA -0.183 4.377 4.556 0.007 0.000 0.091 148 H C -0.182 175.261 175.328 0.191 0.000 1.276 148 H CA 0.872 57.035 56.048 0.192 0.000 1.897 148 H CB -1.332 28.538 29.762 0.179 0.000 2.254 148 H HN 0.135 nan 8.280 nan 0.000 0.959 149 N N 1.720 120.610 118.700 0.317 0.000 3.243 149 N HA 0.213 4.957 4.740 0.006 0.000 0.310 149 N C -0.866 174.602 175.510 -0.070 0.000 1.313 149 N CA 0.648 53.756 53.050 0.098 0.000 1.204 149 N CB -0.433 38.138 38.487 0.140 0.000 1.483 149 N HN 0.351 nan 8.380 nan 0.000 0.553 157 E N 2.650 122.880 120.200 0.051 0.000 2.206 157 E HA 0.424 4.778 4.350 0.006 0.000 0.244 157 E C -1.373 175.151 176.600 -0.128 0.000 1.055 157 E CA -0.035 56.343 56.400 -0.037 0.000 0.970 157 E CB 0.717 30.414 29.700 -0.005 0.000 1.256 157 E HN 0.332 nan 8.360 nan 0.000 0.456 158 V N 5.544 125.342 119.914 -0.192 0.000 2.347 158 V HA 0.222 4.346 4.120 0.006 0.000 0.280 158 V C 0.647 176.552 176.094 -0.315 0.000 1.021 158 V CA -0.672 61.424 62.300 -0.340 0.000 0.847 158 V CB 1.138 32.653 31.823 -0.513 0.000 0.990 158 V HN 0.557 nan 8.190 nan 0.000 0.444 159 H N 2.196 121.132 119.070 -0.224 0.000 2.469 159 H HA 0.600 5.160 4.556 0.007 0.000 0.289 159 H C -0.256 174.995 175.328 -0.128 0.000 1.595 159 H CA -0.213 55.752 56.048 -0.138 0.000 1.536 159 H CB 1.683 31.374 29.762 -0.119 0.000 1.726 159 H HN 0.683 nan 8.280 nan 0.000 0.794 160 C N 0.428 119.785 119.300 0.096 0.000 3.284 160 C HA 0.411 4.875 4.460 0.006 0.000 0.338 160 C C -1.527 173.509 174.990 0.076 0.000 1.237 160 C CA -0.548 58.506 59.018 0.059 0.000 1.276 160 C CB 0.028 27.811 27.740 0.072 0.000 1.601 160 C HN 0.548 nan 8.230 nan 0.000 0.494 161 I N 5.263 125.891 120.570 0.096 0.000 2.390 161 I HA 0.689 4.862 4.170 0.006 0.000 0.283 161 I C -0.644 175.624 176.117 0.251 0.000 1.016 161 I CA 0.091 61.464 61.300 0.121 0.000 1.151 161 I CB 0.955 39.040 38.000 0.140 0.000 1.293 161 I HN 0.496 nan 8.210 nan 0.000 0.458 162 F N 4.612 124.567 119.950 0.009 0.000 2.775 162 F HA 0.431 4.961 4.527 0.006 0.000 0.339 162 F C -0.648 175.150 175.800 -0.003 0.000 1.159 162 F CA -0.583 57.423 58.000 0.011 0.000 1.145 162 F CB 1.073 40.082 39.000 0.015 0.000 1.408 162 F HN 0.337 nan 8.300 nan 0.000 0.597 169 P HA 0.060 nan 4.420 nan 0.000 0.235 169 P C 0.464 177.760 177.300 -0.007 0.000 1.720 169 P CA 0.150 63.253 63.100 0.004 0.000 1.003 169 P CB -0.312 31.382 31.700 -0.011 0.000 1.968 170 S N -0.179 115.529 115.700 0.014 0.000 2.441 170 S HA 0.057 4.531 4.470 0.006 0.000 0.224 170 S C 0.819 175.442 174.600 0.039 0.000 1.043 170 S CA 0.048 58.257 58.200 0.015 0.000 0.948 170 S CB 0.000 63.213 63.200 0.021 0.000 0.810 170 S HN 0.334 nan 8.310 nan 0.000 0.504 171 Q N -1.071 118.772 119.800 0.072 0.000 2.605 171 Q HA 0.625 4.969 4.340 0.006 0.000 0.296 171 Q C -1.924 174.173 176.000 0.163 0.000 1.056 171 Q CA -0.910 54.959 55.803 0.110 0.000 0.778 171 Q CB 2.353 31.174 28.738 0.138 0.000 1.497 171 Q HN 0.306 nan 8.270 nan 0.000 0.443 172 C N 1.389 120.831 119.300 0.236 0.000 2.892 172 C HA 0.409 4.873 4.460 0.006 0.000 0.360 172 C C -2.134 173.029 174.990 0.287 0.000 1.054 172 C CA -1.197 57.954 59.018 0.223 0.000 1.326 172 C CB 0.739 28.576 27.740 0.161 0.000 1.806 172 C HN 0.665 nan 8.230 nan 0.000 0.490 173 P HA 0.062 nan 4.420 nan 0.000 0.220 173 P C 0.878 178.078 177.300 -0.167 0.000 1.154 173 P CA 1.217 64.213 63.100 -0.174 0.000 0.830 173 P CB 0.281 31.687 31.700 -0.490 0.000 0.803 174 D N -0.975 119.428 120.400 0.004 0.000 2.378 174 D HA -0.051 4.593 4.640 0.006 0.000 0.222 174 D C -0.017 176.244 176.300 -0.065 0.000 0.980 174 D CA 0.580 54.610 54.000 0.051 0.000 0.907 174 D CB -0.634 40.303 40.800 0.228 0.000 0.899 174 D HN 0.152 nan 8.370 nan 0.000 0.527 175 C N 1.316 120.589 119.300 -0.046 0.000 2.168 175 C HA 0.261 4.725 4.460 0.006 0.000 0.333 175 C C 1.916 176.862 174.990 -0.073 0.000 1.106 175 C CA -0.799 58.182 59.018 -0.062 0.000 1.574 175 C CB -0.078 27.664 27.740 0.003 0.000 2.055 175 C HN 0.051 nan 8.230 nan 0.000 0.473 176 V N 2.894 122.727 119.914 -0.135 0.000 2.922 176 V HA 0.083 4.207 4.120 0.006 0.000 0.242 176 V C 0.697 176.758 176.094 -0.056 0.000 1.094 176 V CA 0.837 63.045 62.300 -0.155 0.000 1.106 176 V CB -0.048 31.614 31.823 -0.269 0.000 0.799 176 V HN 0.645 nan 8.190 nan 0.000 0.474 177 V N 0.201 120.093 119.914 -0.035 0.000 2.604 177 V HA 0.499 4.623 4.120 0.006 0.000 0.305 177 V C -0.153 175.943 176.094 0.004 0.000 1.043 177 V CA -0.399 61.898 62.300 -0.005 0.000 0.888 177 V CB 1.833 33.665 31.823 0.015 0.000 0.995 177 V HN 0.281 nan 8.190 nan 0.000 0.429 178 S N 2.817 118.525 115.700 0.014 0.000 2.562 178 S HA 0.531 5.005 4.470 0.006 0.000 0.275 178 S C 1.134 175.758 174.600 0.039 0.000 1.281 178 S CA 0.121 58.336 58.200 0.025 0.000 1.045 178 S CB 1.519 64.740 63.200 0.034 0.000 0.962 178 S HN 1.057 nan 8.310 nan 0.000 0.503 179 A N 4.715 127.557 122.820 0.037 0.000 2.235 179 A HA 0.250 4.573 4.320 0.006 0.000 0.208 179 A C 1.469 179.085 177.584 0.054 0.000 1.172 179 A CA 0.371 52.434 52.037 0.045 0.000 0.786 179 A CB -0.428 18.595 19.000 0.038 0.000 0.804 179 A HN 0.844 nan 8.150 nan 0.000 0.479 180 L N -1.124 120.134 121.223 0.059 0.000 2.567 180 L HA 0.303 4.647 4.340 0.006 0.000 0.225 180 L C 0.946 177.872 176.870 0.094 0.000 1.119 180 L CA 0.619 55.501 54.840 0.069 0.000 0.871 180 L CB -0.186 41.912 42.059 0.066 0.000 1.036 180 L HN 0.527 nan 8.230 nan 0.000 0.459 181 G N 0.333 109.194 108.800 0.101 0.000 2.801 181 G HA2 0.329 4.292 3.960 0.006 0.000 0.648 181 G HA3 0.329 4.292 3.960 0.006 0.000 0.648 181 G C -1.282 173.704 174.900 0.143 0.000 1.415 181 G CA -0.377 44.801 45.100 0.130 0.000 0.887 181 G HN 0.250 nan 8.290 nan 0.000 0.627 182 A N 2.080 124.976 122.820 0.127 0.000 2.587 182 A HA 0.976 5.300 4.320 0.006 0.000 0.293 182 A C -0.925 176.733 177.584 0.124 0.000 1.087 182 A CA -0.914 51.177 52.037 0.089 0.000 0.692 182 A CB 2.089 21.118 19.000 0.047 0.000 1.291 182 A HN 0.735 nan 8.150 nan 0.000 0.407 183 K N 0.784 121.264 120.400 0.134 0.000 2.482 183 K HA 0.588 4.912 4.320 0.006 0.000 0.251 183 K C -1.620 175.092 176.600 0.186 0.000 0.936 183 K CA -0.487 55.907 56.287 0.178 0.000 0.791 183 K CB 2.092 34.755 32.500 0.272 0.000 1.213 183 K HN 0.474 nan 8.250 nan 0.000 0.428 184 V N 4.507 124.468 119.914 0.077 0.000 2.376 184 V HA 0.409 4.533 4.120 0.006 0.000 0.287 184 V C 0.200 176.256 176.094 -0.065 0.000 1.015 184 V CA -0.860 61.450 62.300 0.015 0.000 0.834 184 V CB 1.394 33.165 31.823 -0.087 0.000 1.001 184 V HN 0.558 nan 8.190 nan 0.000 0.428 185 L N 2.852 124.093 121.223 0.031 0.000 2.431 185 L HA 0.784 5.127 4.340 0.006 0.000 0.260 185 L C 0.293 177.193 176.870 0.049 0.000 1.098 185 L CA -0.243 54.609 54.840 0.020 0.000 0.800 185 L CB 1.910 43.977 42.059 0.014 0.000 1.210 185 L HN 0.728 nan 8.230 nan 0.000 0.465 186 S N 0.607 116.359 115.700 0.086 0.000 2.616 186 S HA 0.407 4.881 4.470 0.006 0.000 0.276 186 S C -1.290 173.405 174.600 0.158 0.000 1.159 186 S CA -0.444 57.788 58.200 0.053 0.000 1.000 186 S CB 1.350 64.408 63.200 -0.236 0.000 1.117 186 S HN 0.608 nan 8.310 nan 0.000 0.464 187 S N 3.927 119.800 115.700 0.288 0.000 2.668 187 S HA 0.485 4.959 4.470 0.006 0.000 0.277 187 S C -0.883 173.793 174.600 0.128 0.000 1.170 187 S CA -0.463 57.854 58.200 0.195 0.000 0.994 187 S CB 1.332 64.662 63.200 0.217 0.000 1.051 187 S HN 0.837 nan 8.310 nan 0.000 0.484 188 V N 6.714 126.617 119.914 -0.018 0.000 2.324 188 V HA 0.221 4.345 4.120 0.006 0.000 0.244 188 V C 0.082 176.130 176.094 -0.077 0.000 1.144 188 V CA 0.026 62.220 62.300 -0.176 0.000 1.158 188 V CB -0.593 30.922 31.823 -0.514 0.000 1.254 188 V HN 0.578 nan 8.190 nan 0.000 0.492 189 K N 3.728 124.140 120.400 0.021 0.000 2.253 189 K HA 0.228 4.552 4.320 0.006 0.000 0.277 189 K C 0.141 176.769 176.600 0.046 0.000 1.053 189 K CA -0.336 55.983 56.287 0.055 0.000 0.892 189 K CB 0.641 33.217 32.500 0.126 0.000 1.102 189 K HN 0.643 nan 8.250 nan 0.000 0.469 190 D N 2.990 123.400 120.400 0.016 0.000 3.133 190 D HA -0.193 4.450 4.640 0.006 0.000 0.239 190 D C 0.165 176.418 176.300 -0.077 0.000 1.136 190 D CA 0.506 54.516 54.000 0.017 0.000 0.898 190 D CB -0.410 40.438 40.800 0.081 0.000 0.959 190 D HN 0.825 nan 8.370 nan 0.000 0.415 191 R N -1.195 119.187 120.500 -0.196 0.000 3.953 191 R HA -0.258 4.086 4.340 0.006 0.000 0.448 191 R C -0.115 175.775 176.300 -0.684 0.000 1.016 191 R CA 1.849 57.706 56.100 -0.405 0.000 1.398 191 R CB -1.328 28.671 30.300 -0.503 0.000 2.021 191 R HN 0.371 nan 8.270 nan 0.000 0.538 192 F N -0.063 119.800 119.950 -0.145 0.000 2.563 192 F HA 0.513 5.044 4.527 0.006 0.000 0.316 192 F C 0.657 176.333 175.800 -0.205 0.000 1.076 192 F CA -1.225 56.711 58.000 -0.107 0.000 0.921 192 F CB 1.309 40.283 39.000 -0.042 0.000 1.209 192 F HN -0.221 nan 8.300 nan 0.000 0.462 193 I N 2.563 123.151 120.570 0.030 0.000 2.441 193 I HA 0.180 4.354 4.170 0.006 0.000 0.287 193 I C -0.781 175.386 176.117 0.085 0.000 1.049 193 I CA -0.220 61.077 61.300 -0.004 0.000 1.381 193 I CB 0.720 38.729 38.000 0.014 0.000 1.409 193 I HN 0.542 nan 8.210 nan 0.000 0.523 194 N N 5.672 124.433 118.700 0.102 0.000 2.342 194 N HA 0.480 5.224 4.740 0.006 0.000 0.293 194 N C -1.174 174.368 175.510 0.054 0.000 1.026 194 N CA -0.407 52.612 53.050 -0.052 0.000 0.857 194 N CB 1.295 39.597 38.487 -0.308 0.000 1.256 194 N HN 0.239 nan 8.380 nan 0.000 0.484 195 F N 2.197 121.965 119.950 -0.304 0.000 2.411 195 F HA 0.451 4.982 4.527 0.006 0.000 0.352 195 F C -0.522 175.080 175.800 -0.330 0.000 1.123 195 F CA -1.163 56.728 58.000 -0.181 0.000 1.044 195 F CB 0.194 39.170 39.000 -0.040 0.000 1.135 195 F HN 0.312 nan 8.300 nan 0.000 0.461 196 F N 3.291 123.382 119.950 0.234 0.000 2.404 196 F HA 0.642 5.172 4.527 0.006 0.000 0.354 196 F C -0.148 175.840 175.800 0.314 0.000 1.122 196 F CA -1.010 57.167 58.000 0.295 0.000 1.080 196 F CB 1.171 40.402 39.000 0.384 0.000 1.131 196 F HN 0.002 nan 8.300 nan 0.000 0.471 197 V N 1.924 122.023 119.914 0.309 0.000 2.841 197 V HA 0.811 4.935 4.120 0.006 0.000 0.310 197 V C -0.087 175.872 176.094 -0.225 0.000 1.090 197 V CA -0.929 61.444 62.300 0.121 0.000 0.930 197 V CB 2.200 34.055 31.823 0.053 0.000 1.014 197 V HN 0.888 nan 8.190 nan 0.000 0.425 198 G N 2.553 111.117 108.800 -0.394 0.000 2.487 198 G HA2 0.594 4.558 3.960 0.006 0.000 0.314 198 G HA3 0.594 4.558 3.960 0.006 0.000 0.314 198 G C -0.935 173.451 174.900 -0.856 0.000 1.267 198 G CA -0.483 43.956 45.100 -1.102 0.000 0.937 198 G HN 0.524 nan 8.290 nan 0.000 0.481 199 N N 1.196 119.498 118.700 -0.664 0.000 2.314 199 N HA 0.402 5.146 4.740 0.006 0.000 0.294 199 N C -0.293 175.302 175.510 0.141 0.000 1.029 199 N CA -0.335 52.620 53.050 -0.158 0.000 0.845 199 N CB 2.281 40.726 38.487 -0.070 0.000 1.321 199 N HN 0.373 nan 8.380 nan 0.000 0.481 200 T N 2.423 117.128 114.554 0.252 0.000 2.910 200 T HA 0.662 5.016 4.350 0.006 0.000 0.293 200 T C 0.558 175.333 174.700 0.126 0.000 1.015 200 T CA -0.202 62.048 62.100 0.250 0.000 1.094 200 T CB 0.368 69.356 68.868 0.199 0.000 0.968 200 T HN 0.454 nan 8.240 nan 0.000 0.521 201 I N -0.074 120.554 120.570 0.097 0.000 2.828 201 I HA 0.496 4.670 4.170 0.006 0.000 0.295 201 I C -0.812 175.323 176.117 0.030 0.000 1.459 201 I CA -1.324 60.004 61.300 0.046 0.000 1.015 201 I CB 2.071 40.083 38.000 0.019 0.000 1.345 201 I HN 0.578 nan 8.210 nan 0.000 0.449 202 N N 1.995 120.699 118.700 0.007 0.000 3.223 202 N HA 0.457 5.201 4.740 0.006 0.000 0.350 202 N C -0.677 174.809 175.510 -0.040 0.000 1.425 202 N CA -0.706 52.340 53.050 -0.007 0.000 0.668 202 N CB 0.195 38.679 38.487 -0.004 0.000 1.435 202 N HN 0.613 nan 8.380 nan 0.000 0.569 203 S N -0.632 115.038 115.700 -0.049 0.000 2.537 203 S HA 0.647 5.120 4.470 0.006 0.000 0.275 203 S C -0.342 174.204 174.600 -0.091 0.000 1.272 203 S CA -0.435 57.712 58.200 -0.088 0.000 1.050 203 S CB -0.121 63.032 63.200 -0.078 0.000 0.961 203 S HN 0.917 nan 8.310 nan 0.000 0.496 204 S N 2.095 117.704 115.700 -0.153 0.000 2.744 204 S HA 0.299 4.773 4.470 0.006 0.000 0.284 204 S C -1.261 173.201 174.600 -0.231 0.000 0.979 204 S CA -0.929 57.200 58.200 -0.117 0.000 0.870 204 S CB -0.275 62.897 63.200 -0.047 0.000 1.094 204 S HN 0.420 nan 8.310 nan 0.000 0.458 211 L N 2.228 123.368 121.223 -0.138 0.000 2.381 211 L HA 0.508 4.852 4.340 0.006 0.000 0.268 211 L C 0.020 176.789 176.870 -0.169 0.000 0.997 211 L CA -0.856 53.946 54.840 -0.062 0.000 0.818 211 L CB 1.761 43.807 42.059 -0.021 0.000 1.310 211 L HN 0.478 nan 8.230 nan 0.000 0.416 212 H N 0.423 119.396 119.070 -0.162 0.000 2.505 212 H HA 0.150 4.710 4.556 0.007 0.000 0.351 212 H C 0.484 175.734 175.328 -0.128 0.000 1.151 212 H CA -0.051 55.877 56.048 -0.200 0.000 1.339 212 H CB 1.908 31.486 29.762 -0.306 0.000 1.483 212 H HN 0.712 nan 8.280 nan 0.000 0.558 213 S N 1.840 117.545 115.700 0.009 0.000 2.421 213 S HA 0.100 4.574 4.470 0.006 0.000 0.224 213 S C 0.813 175.319 174.600 -0.156 0.000 1.035 213 S CA 0.364 58.558 58.200 -0.010 0.000 0.953 213 S CB 0.414 63.693 63.200 0.132 0.000 0.810 213 S HN 0.452 nan 8.310 nan 0.000 0.497 214 I N 2.772 123.279 120.570 -0.104 0.000 2.517 214 I HA 0.355 4.528 4.170 0.006 0.000 0.280 214 I C -0.750 175.284 176.117 -0.139 0.000 1.061 214 I CA -0.384 60.786 61.300 -0.215 0.000 1.091 214 I CB 1.831 39.721 38.000 -0.183 0.000 1.205 214 I HN 0.296 nan 8.210 nan 0.000 0.459 215 S N 4.811 120.458 115.700 -0.088 0.000 2.638 215 S HA 0.812 5.286 4.470 0.006 0.000 0.302 215 S C -0.666 173.962 174.600 0.047 0.000 1.096 215 S CA -0.733 57.464 58.200 -0.005 0.000 0.953 215 S CB 2.817 66.029 63.200 0.020 0.000 1.107 215 S HN 0.188 nan 8.310 nan 0.000 0.503 216 V N 2.564 122.514 119.914 0.061 0.000 2.558 216 V HA 0.419 4.542 4.120 0.006 0.000 0.261 216 V C -0.661 175.419 176.094 -0.023 0.000 0.958 216 V CA -0.668 61.604 62.300 -0.047 0.000 0.852 216 V CB 0.705 32.493 31.823 -0.057 0.000 1.067 216 V HN 0.978 nan 8.190 nan 0.000 0.468 217 R N 3.656 124.113 120.500 -0.072 0.000 2.255 217 R HA 0.589 4.932 4.340 0.006 0.000 0.326 217 R C -0.104 176.140 176.300 -0.092 0.000 0.986 217 R CA -0.695 55.272 56.100 -0.222 0.000 0.847 217 R CB 1.157 31.063 30.300 -0.657 0.000 1.111 217 R HN 0.739 nan 8.270 nan 0.000 0.452 218 R N 2.125 122.546 120.500 -0.132 0.000 2.531 218 R HA 0.421 4.765 4.340 0.006 0.000 0.273 218 R C -0.718 175.466 176.300 -0.193 0.000 1.070 218 R CA -0.793 55.232 56.100 -0.125 0.000 1.112 218 R CB 0.690 30.877 30.300 -0.187 0.000 1.049 218 R HN 0.540 nan 8.270 nan 0.000 0.508 219 L N 1.937 122.987 121.223 -0.290 0.000 2.325 219 L HA 0.411 4.755 4.340 0.006 0.000 0.279 219 L C -0.874 175.841 176.870 -0.259 0.000 1.054 219 L CA -0.388 54.105 54.840 -0.578 0.000 0.804 219 L CB 1.357 42.969 42.059 -0.746 0.000 1.200 219 L HN 0.646 nan 8.230 nan 0.000 0.436 220 K N 1.719 121.941 120.400 -0.297 0.000 2.098 220 K HA 0.264 4.588 4.320 0.006 0.000 0.257 220 K C 0.741 177.246 176.600 -0.158 0.000 0.999 220 K CA -0.179 56.020 56.287 -0.147 0.000 0.924 220 K CB 0.649 33.038 32.500 -0.185 0.000 1.028 220 K HN 0.595 nan 8.250 nan 0.000 0.466 221 E N -0.457 119.691 120.200 -0.087 0.000 2.409 221 E HA -0.150 4.204 4.350 0.006 0.000 0.198 221 E C 1.256 177.623 176.600 -0.387 0.000 1.024 221 E CA 1.053 57.196 56.400 -0.429 0.000 0.861 221 E CB -0.430 29.125 29.700 -0.241 0.000 0.788 221 E HN 0.558 nan 8.360 nan 0.000 0.521 222 T N 0.152 114.558 114.554 -0.247 0.000 2.951 222 T HA -0.110 4.244 4.350 0.006 0.000 0.268 222 T C 0.536 175.074 174.700 -0.269 0.000 1.073 222 T CA 1.369 63.338 62.100 -0.219 0.000 1.134 222 T CB -0.242 68.531 68.868 -0.159 0.000 0.884 222 T HN 0.329 nan 8.240 nan 0.000 0.479 223 K N -0.135 120.075 120.400 -0.317 0.000 3.512 223 K HA -0.173 4.151 4.320 0.006 0.000 0.309 223 K C -0.156 176.268 176.600 -0.293 0.000 1.350 223 K CA 1.252 57.341 56.287 -0.331 0.000 0.960 223 K CB -1.636 30.661 32.500 -0.339 0.000 1.290 223 K HN 0.628 nan 8.250 nan 0.000 0.454 224 D N -0.657 119.594 120.400 -0.249 0.000 2.398 224 D HA 0.259 4.903 4.640 0.006 0.000 0.210 224 D C 0.603 176.813 176.300 -0.150 0.000 1.094 224 D CA 0.388 54.283 54.000 -0.174 0.000 0.839 224 D CB 1.098 41.825 40.800 -0.122 0.000 0.963 224 D HN 0.314 nan 8.370 nan 0.000 0.506 225 G N -0.979 107.669 108.800 -0.252 0.000 2.519 225 G HA2 0.419 4.383 3.960 0.006 0.000 0.292 225 G HA3 0.419 4.383 3.960 0.006 0.000 0.292 225 G C -1.485 173.204 174.900 -0.352 0.000 1.507 225 G CA -1.116 43.870 45.100 -0.190 0.000 0.806 225 G HN -0.016 nan 8.290 nan 0.000 0.523 226 F N 0.157 119.961 119.950 -0.243 0.000 2.403 226 F HA 0.867 5.398 4.527 0.006 0.000 0.326 226 F C 0.964 176.545 175.800 -0.366 0.000 1.099 226 F CA -0.597 57.197 58.000 -0.344 0.000 1.036 226 F CB 1.770 40.507 39.000 -0.439 0.000 1.336 226 F HN 0.572 nan 8.300 nan 0.000 0.497 227 M N 0.550 119.999 119.600 -0.251 0.000 2.307 227 M HA 0.456 4.940 4.480 0.006 0.000 0.279 227 M C -2.237 173.857 176.300 -0.343 0.000 1.080 227 M CA -0.518 54.604 55.300 -0.298 0.000 0.964 227 M CB 1.295 33.783 32.600 -0.185 0.000 1.825 227 M HN 0.311 nan 8.290 nan 0.000 0.489 228 F N 2.009 121.940 119.950 -0.030 0.000 2.382 228 F HA 0.406 4.937 4.527 0.006 0.000 0.331 228 F C 0.765 176.543 175.800 -0.038 0.000 1.121 228 F CA -0.599 57.382 58.000 -0.032 0.000 1.183 228 F CB 0.730 39.747 39.000 0.028 0.000 1.207 228 F HN 0.586 nan 8.300 nan 0.000 0.555 229 L N 0.408 121.712 121.223 0.135 0.000 2.296 229 L HA 0.149 4.493 4.340 0.006 0.000 0.193 229 L C 1.184 178.077 176.870 0.038 0.000 1.123 229 L CA 1.056 55.922 54.840 0.043 0.000 0.805 229 L CB -0.306 41.751 42.059 -0.003 0.000 1.004 229 L HN 0.826 nan 8.230 nan 0.000 0.478 230 T N -5.615 108.935 114.554 -0.006 0.000 2.807 230 T HA 0.207 4.561 4.350 0.006 0.000 0.277 230 T C 0.611 175.198 174.700 -0.187 0.000 1.006 230 T CA -0.530 61.538 62.100 -0.053 0.000 1.006 230 T CB 0.947 69.790 68.868 -0.042 0.000 1.274 230 T HN -0.008 nan 8.240 nan 0.000 0.569 231 D N -0.308 119.968 120.400 -0.207 0.000 2.219 231 D HA -0.069 4.575 4.640 0.006 0.000 0.205 231 D C 1.831 177.752 176.300 -0.633 0.000 0.970 231 D CA 1.146 54.917 54.000 -0.381 0.000 0.851 231 D CB 0.090 40.791 40.800 -0.165 0.000 0.943 231 D HN 0.596 nan 8.370 nan 0.000 0.488 232 Q N -0.320 119.256 119.800 -0.374 0.000 2.451 232 Q HA -0.018 4.326 4.340 0.006 0.000 0.206 232 Q C 1.944 177.695 176.000 -0.415 0.000 0.947 232 Q CA 0.512 56.117 55.803 -0.330 0.000 0.937 232 Q CB 0.164 28.831 28.738 -0.117 0.000 1.025 232 Q HN 0.219 nan 8.270 nan 0.000 0.511 233 S N 0.178 115.608 115.700 -0.449 0.000 2.500 233 S HA -0.129 4.345 4.470 0.006 0.000 0.239 233 S C 0.309 174.750 174.600 -0.265 0.000 0.989 233 S CA 0.420 58.448 58.200 -0.286 0.000 0.951 233 S CB -0.368 62.784 63.200 -0.079 0.000 0.759 233 S HN 0.421 nan 8.310 nan 0.000 0.523 234 Y N -1.104 119.050 120.300 -0.243 0.000 2.588 234 Y HA 0.824 5.379 4.550 0.007 0.000 0.343 234 Y C -0.951 174.779 175.900 -0.283 0.000 1.065 234 Y CA -2.262 55.680 58.100 -0.263 0.000 1.038 234 Y CB 0.930 39.243 38.460 -0.245 0.000 1.297 234 Y HN -0.106 nan 8.280 nan 0.000 0.467 235 I N 2.960 123.435 120.570 -0.159 0.000 2.466 235 I HA 0.432 4.606 4.170 0.006 0.000 0.289 235 I C -1.033 175.026 176.117 -0.097 0.000 1.026 235 I CA -0.661 60.396 61.300 -0.406 0.000 1.078 235 I CB 1.561 38.994 38.000 -0.945 0.000 1.249 235 I HN 0.792 nan 8.210 nan 0.000 0.429 236 D N 3.980 124.439 120.400 0.098 0.000 2.758 236 D HA 0.554 5.197 4.640 0.006 0.000 0.262 236 D C -0.709 175.751 176.300 0.266 0.000 1.113 236 D CA -0.409 53.682 54.000 0.153 0.000 1.114 236 D CB 2.488 43.333 40.800 0.075 0.000 1.363 236 D HN 0.066 nan 8.370 nan 0.000 0.617 237 V N 1.340 121.385 119.914 0.218 0.000 2.435 237 V HA 0.253 4.377 4.120 0.006 0.000 0.290 237 V C 0.412 176.600 176.094 0.156 0.000 1.030 237 V CA -0.786 61.679 62.300 0.276 0.000 0.881 237 V CB 1.452 33.423 31.823 0.246 0.000 0.983 237 V HN 0.298 nan 8.190 nan 0.000 0.445 238 L N 6.899 128.225 121.223 0.172 0.000 2.578 238 L HA 0.035 4.379 4.340 0.006 0.000 0.279 238 L C -1.102 175.740 176.870 -0.047 0.000 1.227 238 L CA -0.865 53.992 54.840 0.027 0.000 0.900 238 L CB 0.474 42.544 42.059 0.017 0.000 1.144 238 L HN 0.493 nan 8.230 nan 0.000 0.496 239 P HA -0.238 nan 4.420 nan 0.000 0.217 239 P C 1.148 178.341 177.300 -0.177 0.000 1.148 239 P CA 1.415 64.436 63.100 -0.132 0.000 0.834 239 P CB 0.075 31.690 31.700 -0.142 0.000 0.783 240 E N -1.183 118.818 120.200 -0.332 0.000 2.338 240 E HA -0.126 4.228 4.350 0.006 0.000 0.197 240 E C 0.678 176.981 176.600 -0.495 0.000 1.007 240 E CA 0.891 56.989 56.400 -0.502 0.000 0.849 240 E CB -0.807 28.419 29.700 -0.790 0.000 0.774 240 E HN 0.332 nan 8.360 nan 0.000 0.506 241 F N -0.172 119.799 119.950 0.035 0.000 2.764 241 F HA 0.410 4.940 4.527 0.006 0.000 0.310 241 F C 1.837 177.676 175.800 0.065 0.000 1.124 241 F CA -0.949 57.092 58.000 0.069 0.000 1.252 241 F CB 0.547 39.605 39.000 0.095 0.000 1.010 241 F HN -0.166 nan 8.300 nan 0.000 0.518 242 R N 0.964 121.539 120.500 0.125 0.000 2.061 242 R HA -0.132 4.212 4.340 0.006 0.000 0.230 242 R C 2.017 178.363 176.300 0.076 0.000 1.140 242 R CA 1.950 58.096 56.100 0.077 0.000 0.940 242 R CB -0.300 29.996 30.300 -0.007 0.000 0.839 242 R HN 0.092 nan 8.270 nan 0.000 0.429 243 D N -0.902 119.529 120.400 0.052 0.000 2.240 243 D HA -0.055 4.588 4.640 0.006 0.000 0.206 243 D C 1.748 178.072 176.300 0.040 0.000 0.963 243 D CA 1.160 55.179 54.000 0.032 0.000 0.863 243 D CB 0.027 40.831 40.800 0.007 0.000 0.973 243 D HN 0.250 nan 8.370 nan 0.000 0.501 244 S N -0.725 115.035 115.700 0.100 0.000 2.377 244 S HA -0.225 4.249 4.470 0.006 0.000 0.224 244 S C 0.699 175.318 174.600 0.031 0.000 1.042 244 S CA 0.918 59.196 58.200 0.130 0.000 1.086 244 S CB -0.565 62.818 63.200 0.305 0.000 0.995 244 S HN 0.256 nan 8.310 nan 0.000 0.428 245 Y N 2.565 122.922 120.300 0.095 0.000 2.329 245 Y HA 0.628 5.182 4.550 0.006 0.000 0.328 245 Y C -2.692 173.242 175.900 0.056 0.000 0.992 245 Y CA -2.233 55.901 58.100 0.057 0.000 1.151 245 Y CB 2.154 40.596 38.460 -0.030 0.000 1.150 245 Y HN 0.252 nan 8.280 nan 0.000 0.450 246 P HA 0.550 nan 4.420 nan 0.000 0.283 246 P C -1.030 176.319 177.300 0.081 0.000 1.278 246 P CA -0.615 62.544 63.100 0.098 0.000 0.834 246 P CB 1.950 33.692 31.700 0.070 0.000 1.150 247 I N 0.709 121.280 120.570 0.001 0.000 2.439 247 I HA 0.297 4.470 4.170 0.006 0.000 0.285 247 I C 0.032 176.000 176.117 -0.249 0.000 1.021 247 I CA -0.895 60.311 61.300 -0.156 0.000 1.091 247 I CB 1.630 39.423 38.000 -0.344 0.000 1.242 247 I HN -0.046 nan 8.210 nan 0.000 0.439 248 K N 5.867 126.169 120.400 -0.163 0.000 2.258 248 K HA 0.327 4.651 4.320 0.006 0.000 0.284 248 K C -1.119 175.367 176.600 -0.191 0.000 1.051 248 K CA -0.412 55.829 56.287 -0.077 0.000 0.923 248 K CB 0.832 33.345 32.500 0.022 0.000 1.046 248 K HN 0.333 nan 8.250 nan 0.000 0.474 249 Y N 1.779 122.160 120.300 0.136 0.000 2.477 249 Y HA 0.053 4.607 4.550 0.006 0.000 0.349 249 Y C 1.528 177.545 175.900 0.195 0.000 0.977 249 Y CA -0.451 57.765 58.100 0.193 0.000 1.214 249 Y CB 0.626 39.218 38.460 0.221 0.000 1.124 249 Y HN 0.259 nan 8.280 nan 0.000 0.521 250 V N 2.109 122.189 119.914 0.277 0.000 2.535 250 V HA -0.075 4.049 4.120 0.006 0.000 0.246 250 V C 0.455 176.738 176.094 0.314 0.000 1.045 250 V CA 1.262 63.701 62.300 0.231 0.000 1.058 250 V CB -0.423 31.489 31.823 0.150 0.000 0.689 250 V HN 0.766 nan 8.190 nan 0.000 0.461 251 H N -1.303 117.898 119.070 0.219 0.000 3.024 251 H HA 0.619 5.179 4.556 0.006 0.000 0.324 251 H C -1.702 173.725 175.328 0.165 0.000 1.347 251 H CA 0.141 56.300 56.048 0.184 0.000 1.182 251 H CB 1.990 31.844 29.762 0.155 0.000 1.889 251 H HN 0.180 nan 8.280 nan 0.000 0.528 252 A N 2.656 125.137 122.820 -0.563 0.000 2.574 252 A HA 0.677 5.001 4.320 0.006 0.000 0.297 252 A C -1.865 175.455 177.584 -0.439 0.000 1.062 252 A CA -0.283 51.419 52.037 -0.558 0.000 0.686 252 A CB 1.647 20.040 19.000 -1.013 0.000 1.285 252 A HN 0.636 nan 8.150 nan 0.000 0.403 253 F N -0.888 118.806 119.950 -0.427 0.000 2.741 253 F HA 0.792 5.323 4.527 0.006 0.000 0.311 253 F C -1.039 174.664 175.800 -0.162 0.000 1.149 253 F CA -0.637 57.218 58.000 -0.242 0.000 0.930 253 F CB 1.251 40.202 39.000 -0.082 0.000 1.312 253 F HN 0.683 nan 8.300 nan 0.000 0.450 254 E N 1.477 121.698 120.200 0.035 0.000 2.199 254 E HA 0.649 5.003 4.350 0.006 0.000 0.269 254 E C -1.601 175.108 176.600 0.183 0.000 0.899 254 E CA -0.667 55.717 56.400 -0.028 0.000 0.772 254 E CB 1.894 31.512 29.700 -0.136 0.000 1.155 254 E HN 0.913 nan 8.360 nan 0.000 0.408 255 S N 3.624 119.467 115.700 0.238 0.000 2.578 255 S HA 0.226 4.699 4.470 0.006 0.000 0.285 255 S C -0.851 173.947 174.600 0.330 0.000 1.126 255 S CA -0.209 58.154 58.200 0.271 0.000 0.878 255 S CB 0.590 63.983 63.200 0.320 0.000 1.091 255 S HN 0.864 nan 8.310 nan 0.000 0.450 256 N N 2.934 121.773 118.700 0.232 0.000 2.714 256 N HA -0.161 4.583 4.740 0.006 0.000 0.250 256 N C -0.102 175.570 175.510 0.269 0.000 1.117 256 N CA 0.970 54.180 53.050 0.266 0.000 0.719 256 N CB -1.063 37.624 38.487 0.334 0.000 1.081 256 N HN 0.735 nan 8.380 nan 0.000 0.557 257 N N -3.082 115.672 118.700 0.090 0.000 2.850 257 N HA -0.194 4.549 4.740 0.006 0.000 0.249 257 N C -0.819 174.438 175.510 -0.422 0.000 1.060 257 N CA 1.505 54.471 53.050 -0.139 0.000 0.825 257 N CB -1.185 37.187 38.487 -0.191 0.000 1.132 257 N HN 0.398 nan 8.380 nan 0.000 0.564 258 F N 0.243 120.108 119.950 -0.143 0.000 2.631 258 F HA 0.701 5.232 4.527 0.007 0.000 0.350 258 F C 0.812 176.267 175.800 -0.575 0.000 1.080 258 F CA -0.822 56.945 58.000 -0.389 0.000 1.026 258 F CB 1.046 39.727 39.000 -0.533 0.000 1.347 258 F HN -0.264 nan 8.300 nan 0.000 0.501 259 I N 0.692 120.797 120.570 -0.774 0.000 2.569 259 I HA 0.362 4.536 4.170 0.006 0.000 0.296 259 I C -1.526 173.839 176.117 -1.255 0.000 1.028 259 I CA -0.907 59.812 61.300 -0.969 0.000 1.082 259 I CB 1.867 39.186 38.000 -1.136 0.000 1.264 259 I HN 0.485 nan 8.210 nan 0.000 0.429 260 Y N 4.010 123.727 120.300 -0.973 0.000 2.406 260 Y HA 0.561 5.115 4.550 0.006 0.000 0.340 260 Y C -0.733 174.713 175.900 -0.757 0.000 0.975 260 Y CA -0.559 57.000 58.100 -0.902 0.000 1.056 260 Y CB 2.292 39.855 38.460 -1.495 0.000 1.210 260 Y HN 0.295 nan 8.280 nan 0.000 0.448 261 F N 3.339 123.232 119.950 -0.095 0.000 2.520 261 F HA 0.615 5.146 4.527 0.006 0.000 0.322 261 F C -0.777 175.126 175.800 0.172 0.000 1.103 261 F CA -0.805 57.257 58.000 0.103 0.000 0.926 261 F CB 1.515 40.664 39.000 0.249 0.000 1.154 261 F HN 0.190 nan 8.300 nan 0.000 0.453 262 L N 2.996 124.449 121.223 0.384 0.000 2.307 262 L HA 0.689 5.033 4.340 0.006 0.000 0.284 262 L C -0.105 176.907 176.870 0.237 0.000 1.023 262 L CA -0.465 54.545 54.840 0.283 0.000 0.810 262 L CB 1.967 44.189 42.059 0.272 0.000 1.231 262 L HN 0.737 nan 8.230 nan 0.000 0.423 263 T N -0.041 114.597 114.554 0.140 0.000 2.906 263 T HA 0.720 5.074 4.350 0.006 0.000 0.295 263 T C -0.759 173.975 174.700 0.056 0.000 1.075 263 T CA -0.765 61.358 62.100 0.038 0.000 1.005 263 T CB 2.059 70.885 68.868 -0.070 0.000 1.136 263 T HN 0.123 nan 8.240 nan 0.000 0.498 264 V N 3.283 123.221 119.914 0.040 0.000 2.378 264 V HA 0.604 4.728 4.120 0.006 0.000 0.288 264 V C -0.338 175.859 176.094 0.172 0.000 1.016 264 V CA -0.542 61.838 62.300 0.132 0.000 0.840 264 V CB 0.781 32.680 31.823 0.127 0.000 0.994 264 V HN 1.080 nan 8.190 nan 0.000 0.431 265 Q N 4.598 124.544 119.800 0.244 0.000 2.462 265 Q HA 0.574 4.918 4.340 0.006 0.000 0.285 265 Q C -0.453 175.629 176.000 0.138 0.000 1.035 265 Q CA -1.231 54.699 55.803 0.211 0.000 0.799 265 Q CB 2.136 30.899 28.738 0.042 0.000 1.452 265 Q HN 0.697 nan 8.270 nan 0.000 0.404 266 R N 0.965 121.387 120.500 -0.129 0.000 2.598 266 R HA -0.123 4.221 4.340 0.006 0.000 0.266 266 R C -0.172 175.923 176.300 -0.340 0.000 0.977 266 R CA 0.912 56.686 56.100 -0.544 0.000 1.097 266 R CB 0.308 30.216 30.300 -0.654 0.000 0.911 266 R HN 0.903 nan 8.270 nan 0.000 0.419 267 E N 0.484 120.365 120.200 -0.531 0.000 2.028 267 E HA -0.113 4.241 4.350 0.006 0.000 0.191 267 E C 0.391 176.816 176.600 -0.291 0.000 0.988 267 E CA 2.087 58.081 56.400 -0.677 0.000 0.799 267 E CB 0.067 29.374 29.700 -0.655 0.000 0.755 267 E HN 0.861 nan 8.360 nan 0.000 0.447 268 T N -2.323 112.041 114.554 -0.316 0.000 2.883 268 T HA 0.459 4.813 4.350 0.006 0.000 0.296 268 T C -0.121 174.355 174.700 -0.373 0.000 1.117 268 T CA -0.904 61.053 62.100 -0.238 0.000 1.006 268 T CB 1.170 69.935 68.868 -0.172 0.000 1.191 268 T HN -0.057 nan 8.240 nan 0.000 0.508 269 L N 2.583 123.604 121.223 -0.336 0.000 2.543 269 L HA 0.127 4.471 4.340 0.006 0.000 0.285 269 L C 0.753 177.379 176.870 -0.406 0.000 1.236 269 L CA 0.966 55.539 54.840 -0.446 0.000 0.871 269 L CB -0.340 41.416 42.059 -0.505 0.000 1.121 269 L HN 1.180 nan 8.230 nan 0.000 0.501 270 D N 0.399 120.532 120.400 -0.444 0.000 2.737 270 D HA -0.190 4.454 4.640 0.006 0.000 0.233 270 D C -0.363 175.758 176.300 -0.298 0.000 1.155 270 D CA 1.089 54.922 54.000 -0.278 0.000 0.667 270 D CB -1.179 39.564 40.800 -0.095 0.000 1.060 270 D HN 0.667 nan 8.370 nan 0.000 0.427 271 A N -0.743 121.776 122.820 -0.502 0.000 2.337 271 A HA 0.577 4.900 4.320 0.006 0.000 0.329 271 A C 1.062 178.438 177.584 -0.347 0.000 1.146 271 A CA -0.673 51.146 52.037 -0.364 0.000 0.800 271 A CB 1.347 20.129 19.000 -0.364 0.000 1.220 271 A HN 0.081 nan 8.150 nan 0.000 0.472 272 Q N 0.359 120.076 119.800 -0.138 0.000 2.269 272 Q HA 0.010 4.354 4.340 0.006 0.000 0.201 272 Q C 0.787 176.822 176.000 0.057 0.000 0.946 272 Q CA 1.434 57.248 55.803 0.019 0.000 0.877 272 Q CB -0.272 28.500 28.738 0.056 0.000 0.963 272 Q HN 0.932 nan 8.270 nan 0.000 0.472 273 T N -1.105 113.417 114.554 -0.053 0.000 2.810 273 T HA 0.541 4.895 4.350 0.006 0.000 0.277 273 T C -0.044 174.590 174.700 -0.109 0.000 0.973 273 T CA -0.493 61.636 62.100 0.049 0.000 0.949 273 T CB 0.762 69.626 68.868 -0.008 0.000 1.075 273 T HN -0.137 nan 8.240 nan 0.000 0.537 274 F N -1.275 118.670 119.950 -0.009 0.000 2.640 274 F HA 0.558 5.089 4.527 0.006 0.000 0.324 274 F C 0.394 176.234 175.800 0.068 0.000 1.077 274 F CA -0.931 57.087 58.000 0.031 0.000 0.965 274 F CB 2.129 41.183 39.000 0.090 0.000 1.351 274 F HN 0.672 nan 8.300 nan 0.000 0.487 275 H N -1.324 117.899 119.070 0.256 0.000 2.855 275 H HA 0.640 5.200 4.556 0.007 0.000 0.363 275 H C -1.278 174.178 175.328 0.213 0.000 1.185 275 H CA -0.920 55.233 56.048 0.175 0.000 1.174 275 H CB 2.321 32.141 29.762 0.096 0.000 1.857 275 H HN 0.469 nan 8.280 nan 0.000 0.565 276 T N 2.235 116.989 114.554 0.333 0.000 2.841 276 T HA 0.418 4.772 4.350 0.006 0.000 0.285 276 T C -0.490 174.247 174.700 0.062 0.000 0.991 276 T CA -0.730 61.513 62.100 0.239 0.000 0.966 276 T CB 1.022 70.153 68.868 0.438 0.000 0.962 276 T HN 0.408 nan 8.240 nan 0.000 0.438 277 R N 1.926 122.451 120.500 0.042 0.000 2.803 277 R HA 0.687 5.031 4.340 0.006 0.000 0.276 277 R C -0.948 175.395 176.300 0.072 0.000 0.978 277 R CA -0.948 55.150 56.100 -0.003 0.000 0.939 277 R CB 2.442 32.749 30.300 0.013 0.000 1.179 277 R HN 0.537 nan 8.270 nan 0.000 0.472 278 I N 2.211 122.831 120.570 0.083 0.000 2.474 278 I HA 0.398 4.572 4.170 0.006 0.000 0.294 278 I C -1.224 175.037 176.117 0.241 0.000 1.005 278 I CA -1.052 60.352 61.300 0.173 0.000 1.113 278 I CB 1.329 39.417 38.000 0.147 0.000 1.289 278 I HN 0.450 nan 8.210 nan 0.000 0.436 279 I N 7.508 128.196 120.570 0.196 0.000 2.441 279 I HA 0.517 4.691 4.170 0.006 0.000 0.295 279 I C -0.170 175.818 176.117 -0.214 0.000 0.994 279 I CA -0.234 61.088 61.300 0.036 0.000 1.144 279 I CB 1.555 39.654 38.000 0.164 0.000 1.314 279 I HN 0.506 nan 8.210 nan 0.000 0.445 280 R N 6.122 126.314 120.500 -0.514 0.000 2.673 280 R HA 0.790 5.134 4.340 0.006 0.000 0.281 280 R C -1.840 174.166 176.300 -0.491 0.000 0.991 280 R CA -0.452 55.148 56.100 -0.832 0.000 0.896 280 R CB 1.781 31.385 30.300 -1.160 0.000 1.201 280 R HN 0.552 nan 8.270 nan 0.000 0.457 281 F N 0.134 119.896 119.950 -0.313 0.000 2.817 281 F HA 0.623 5.153 4.527 0.006 0.000 0.317 281 F C -1.170 174.630 175.800 -0.000 0.000 1.168 281 F CA -1.286 56.670 58.000 -0.073 0.000 0.911 281 F CB 0.437 39.444 39.000 0.011 0.000 1.337 281 F HN 0.609 nan 8.300 nan 0.000 0.464 282 C N -0.477 118.976 119.300 0.255 0.000 2.871 282 C HA 0.923 5.386 4.460 0.006 0.000 0.351 282 C C -0.325 174.762 174.990 0.161 0.000 1.338 282 C CA -0.881 58.153 59.018 0.026 0.000 1.686 282 C CB 1.208 28.820 27.740 -0.213 0.000 2.135 282 C HN 1.066 nan 8.230 nan 0.000 0.476 283 S N -0.349 115.410 115.700 0.098 0.000 2.557 283 S HA 0.822 5.295 4.470 0.006 0.000 0.291 283 S C -1.468 173.208 174.600 0.127 0.000 1.116 283 S CA -0.348 57.939 58.200 0.145 0.000 0.992 283 S CB 0.487 63.892 63.200 0.342 0.000 1.028 283 S HN 0.601 nan 8.310 nan 0.000 0.484 284 I N 5.320 125.966 120.570 0.127 0.000 2.503 284 I HA 0.458 4.632 4.170 0.006 0.000 0.282 284 I C 0.640 176.851 176.117 0.157 0.000 1.059 284 I CA -0.043 61.370 61.300 0.189 0.000 1.081 284 I CB 1.274 39.459 38.000 0.307 0.000 1.210 284 I HN 0.955 nan 8.210 nan 0.000 0.450 285 N N 3.107 121.874 118.700 0.111 0.000 3.841 285 N HA -0.288 4.456 4.740 0.006 0.000 0.224 285 N C 0.739 176.267 175.510 0.030 0.000 0.190 285 N CA 1.851 54.944 53.050 0.071 0.000 3.178 285 N CB -0.661 37.865 38.487 0.065 0.000 1.264 285 N HN 0.531 nan 8.380 nan 0.000 0.308 286 S N 0.427 116.136 115.700 0.015 0.000 2.539 286 S HA 0.490 4.964 4.470 0.006 0.000 0.185 286 S C 0.700 175.226 174.600 -0.124 0.000 1.181 286 S CA 0.530 58.711 58.200 -0.031 0.000 1.216 286 S CB 0.273 63.453 63.200 -0.033 0.000 1.476 286 S HN 0.597 nan 8.310 nan 0.000 0.395 287 G N 1.763 110.437 108.800 -0.211 0.000 2.575 287 G HA2 0.068 4.032 3.960 0.006 0.000 0.215 287 G HA3 0.068 4.032 3.960 0.006 0.000 0.215 287 G C 0.408 174.696 174.900 -1.019 0.000 1.262 287 G CA 0.685 45.186 45.100 -0.999 0.000 0.807 287 G HN 0.900 nan 8.290 nan 0.000 0.567 288 L N 0.597 121.530 121.223 -0.483 0.000 3.746 288 L HA -0.163 4.181 4.340 0.006 0.000 0.542 288 L C 0.755 177.488 176.870 -0.228 0.000 1.268 288 L CA 0.462 55.124 54.840 -0.296 0.000 0.818 288 L CB -1.858 39.937 42.059 -0.440 0.000 1.472 288 L HN 0.447 nan 8.230 nan 0.000 0.843 289 H N -1.967 117.173 119.070 0.116 0.000 2.604 289 H HA 0.323 4.883 4.556 0.006 0.000 0.273 289 H C 0.874 176.282 175.328 0.134 0.000 0.971 289 H CA 0.773 56.876 56.048 0.092 0.000 1.249 289 H CB 0.855 30.659 29.762 0.071 0.000 1.449 289 H HN 0.412 nan 8.280 nan 0.000 0.512 290 S N 1.394 117.266 115.700 0.287 0.000 2.514 290 S HA 0.131 4.604 4.470 0.006 0.000 0.179 290 S C -0.711 174.010 174.600 0.201 0.000 1.409 290 S CA -0.451 57.889 58.200 0.233 0.000 1.138 290 S CB -0.313 63.031 63.200 0.240 0.000 1.217 290 S HN 0.239 nan 8.310 nan 0.000 0.493 291 Y N 2.509 122.866 120.300 0.095 0.000 2.335 291 Y HA 0.622 5.176 4.550 0.006 0.000 0.331 291 Y C -0.212 175.712 175.900 0.040 0.000 1.094 291 Y CA -0.109 58.031 58.100 0.066 0.000 1.253 291 Y CB 0.579 39.010 38.460 -0.049 0.000 1.203 291 Y HN 0.471 nan 8.280 nan 0.000 0.508 292 M N 5.007 124.355 119.600 -0.419 0.000 2.373 292 M HA 0.310 4.794 4.480 0.006 0.000 0.290 292 M C -2.042 174.190 176.300 -0.113 0.000 1.143 292 M CA -0.274 54.943 55.300 -0.138 0.000 0.949 292 M CB 1.823 34.385 32.600 -0.064 0.000 1.756 292 M HN 0.643 nan 8.290 nan 0.000 0.494 293 E N 4.378 124.692 120.200 0.191 0.000 2.183 293 E HA 0.637 4.991 4.350 0.006 0.000 0.271 293 E C -1.433 175.420 176.600 0.421 0.000 0.919 293 E CA -0.718 55.840 56.400 0.264 0.000 0.781 293 E CB 2.804 32.658 29.700 0.257 0.000 1.140 293 E HN 0.723 nan 8.360 nan 0.000 0.402 294 M N 3.572 123.364 119.600 0.320 0.000 2.326 294 M HA 0.399 4.883 4.480 0.006 0.000 0.292 294 M C -2.867 173.369 176.300 -0.105 0.000 1.081 294 M CA -2.044 53.307 55.300 0.085 0.000 0.919 294 M CB 2.426 34.842 32.600 -0.308 0.000 1.634 294 M HN 0.111 nan 8.290 nan 0.000 0.451 295 P HA 0.298 nan 4.420 nan 0.000 0.271 295 P C -1.452 175.684 177.300 -0.272 0.000 1.216 295 P CA -0.025 62.872 63.100 -0.339 0.000 0.771 295 P CB 0.488 31.933 31.700 -0.425 0.000 0.864 296 L N 2.950 124.056 121.223 -0.194 0.000 2.381 296 L HA 0.459 4.802 4.340 0.006 0.000 0.274 296 L C 0.291 177.092 176.870 -0.115 0.000 0.988 296 L CA -0.396 54.322 54.840 -0.203 0.000 0.824 296 L CB 2.038 43.910 42.059 -0.313 0.000 1.263 296 L HN 0.271 nan 8.230 nan 0.000 0.410 297 E N 1.725 121.845 120.200 -0.134 0.000 2.210 297 E HA 0.300 4.654 4.350 0.006 0.000 0.266 297 E C -1.531 174.900 176.600 -0.282 0.000 0.883 297 E CA -0.536 55.721 56.400 -0.238 0.000 0.761 297 E CB 2.849 32.500 29.700 -0.082 0.000 1.156 297 E HN 0.490 nan 8.360 nan 0.000 0.412 298 c N 5.745 124.008 118.600 -0.561 0.000 2.239 298 c HA 0.551 5.125 4.570 0.006 0.000 0.323 298 c C -0.377 173.679 174.090 -0.057 0.000 1.205 298 c CA -0.614 55.522 56.329 -0.321 0.000 1.584 298 c CB -1.782 40.488 42.510 -0.401 0.000 2.201 298 c HN 0.617 nan 8.230 nan 0.000 0.475 299 I N 4.882 125.443 120.570 -0.015 0.000 2.607 299 I HA 0.741 4.915 4.170 0.006 0.000 0.305 299 I C -0.627 175.539 176.117 0.081 0.000 0.995 299 I CA -0.490 60.865 61.300 0.091 0.000 1.148 299 I CB 0.861 38.888 38.000 0.046 0.000 1.323 299 I HN 0.397 nan 8.210 nan 0.000 0.461 300 L N 3.782 125.109 121.223 0.172 0.000 2.387 300 L HA 0.654 4.998 4.340 0.006 0.000 0.266 300 L C 0.407 177.322 176.870 0.076 0.000 1.059 300 L CA 0.262 55.175 54.840 0.121 0.000 0.801 300 L CB 1.472 43.667 42.059 0.227 0.000 1.223 300 L HN 0.964 nan 8.230 nan 0.000 0.456 312 E N 1.632 121.872 120.200 0.068 0.000 2.171 312 E HA 0.402 4.756 4.350 0.006 0.000 0.271 312 E C -0.879 175.770 176.600 0.081 0.000 0.916 312 E CA -0.860 55.566 56.400 0.045 0.000 0.774 312 E CB 1.630 31.363 29.700 0.055 0.000 1.128 312 E HN 0.059 nan 8.360 nan 0.000 0.403 313 V N 4.836 124.744 119.914 -0.011 0.000 2.427 313 V HA 0.325 4.449 4.120 0.006 0.000 0.286 313 V C -0.572 175.489 176.094 -0.055 0.000 1.034 313 V CA -0.466 61.857 62.300 0.038 0.000 0.893 313 V CB 0.828 32.664 31.823 0.021 0.000 0.982 313 V HN 0.601 nan 8.190 nan 0.000 0.452 314 F N 4.820 124.785 119.950 0.025 0.000 2.308 314 F HA 0.362 4.893 4.527 0.006 0.000 0.370 314 F C 1.187 177.078 175.800 0.152 0.000 1.100 314 F CA -0.645 57.418 58.000 0.104 0.000 1.108 314 F CB 1.074 40.160 39.000 0.143 0.000 1.293 314 F HN 0.640 nan 8.300 nan 0.000 0.478 315 N N 1.643 120.532 118.700 0.315 0.000 2.325 315 N HA 0.079 4.823 4.740 0.006 0.000 0.182 315 N C -0.104 175.717 175.510 0.517 0.000 1.088 315 N CA 0.369 53.630 53.050 0.351 0.000 0.879 315 N CB 0.423 39.048 38.487 0.230 0.000 0.983 315 N HN 0.282 nan 8.380 nan 0.000 0.471 316 I N 2.089 122.943 120.570 0.473 0.000 2.330 316 I HA 0.203 4.377 4.170 0.006 0.000 0.286 316 I C -0.521 175.650 176.117 0.091 0.000 1.025 316 I CA -1.146 60.324 61.300 0.283 0.000 1.197 316 I CB 1.152 39.246 38.000 0.158 0.000 1.358 316 I HN -0.000 nan 8.210 nan 0.000 0.467 317 L N 7.397 128.483 121.223 -0.227 0.000 2.559 317 L HA 0.048 4.392 4.340 0.006 0.000 0.274 317 L C 1.128 177.866 176.870 -0.220 0.000 1.205 317 L CA 1.090 55.559 54.840 -0.619 0.000 0.907 317 L CB 0.241 41.968 42.059 -0.552 0.000 1.153 317 L HN 0.613 nan 8.230 nan 0.000 0.490 318 Q N 4.438 124.130 119.800 -0.181 0.000 2.442 318 Q HA 0.458 4.802 4.340 0.006 0.000 0.228 318 Q C 0.022 176.000 176.000 -0.036 0.000 0.902 318 Q CA 0.875 56.644 55.803 -0.057 0.000 0.933 318 Q CB 0.568 29.295 28.738 -0.018 0.000 1.071 318 Q HN 0.771 nan 8.270 nan 0.000 0.562 319 A N -0.071 122.710 122.820 -0.066 0.000 2.602 319 A HA 0.835 5.159 4.320 0.006 0.000 0.290 319 A C -1.702 175.842 177.584 -0.068 0.000 1.114 319 A CA -0.013 52.007 52.037 -0.028 0.000 0.683 319 A CB 1.705 20.704 19.000 -0.002 0.000 1.281 319 A HN 0.085 nan 8.150 nan 0.000 0.416 320 A N -0.089 122.673 122.820 -0.097 0.000 2.518 320 A HA 0.606 4.930 4.320 0.006 0.000 0.295 320 A C -1.653 175.736 177.584 -0.325 0.000 1.052 320 A CA -0.199 51.732 52.037 -0.176 0.000 0.824 320 A CB 0.238 19.108 19.000 -0.217 0.000 1.325 320 A HN 1.994 nan 8.150 nan 0.000 0.394 321 Y N 1.724 121.890 120.300 -0.223 0.000 2.536 321 Y HA 0.734 5.288 4.550 0.007 0.000 0.347 321 Y C -1.144 174.687 175.900 -0.115 0.000 1.000 321 Y CA -0.867 57.136 58.100 -0.161 0.000 1.051 321 Y CB 2.146 40.607 38.460 0.002 0.000 1.259 321 Y HN 0.623 nan 8.280 nan 0.000 0.468 322 V N 5.155 124.655 119.914 -0.690 0.000 2.525 322 V HA 0.678 4.802 4.120 0.006 0.000 0.299 322 V C -0.911 174.924 176.094 -0.432 0.000 1.034 322 V CA 0.027 62.002 62.300 -0.541 0.000 0.863 322 V CB 1.086 32.429 31.823 -0.800 0.000 0.999 322 V HN 0.932 nan 8.190 nan 0.000 0.423 323 S N 4.726 120.389 115.700 -0.060 0.000 2.755 323 S HA 0.653 5.127 4.470 0.006 0.000 0.286 323 S C -1.379 173.299 174.600 0.130 0.000 1.207 323 S CA -1.194 57.052 58.200 0.077 0.000 0.892 323 S CB 1.647 65.031 63.200 0.305 0.000 1.240 323 S HN 0.335 nan 8.310 nan 0.000 0.525 324 K N 1.388 121.878 120.400 0.150 0.000 2.126 324 K HA 0.650 4.974 4.320 0.006 0.000 0.257 324 K C -2.763 173.946 176.600 0.183 0.000 1.007 324 K CA -2.087 54.272 56.287 0.120 0.000 0.928 324 K CB -0.032 32.520 32.500 0.086 0.000 1.013 324 K HN 0.470 nan 8.250 nan 0.000 0.473 325 P HA 0.227 nan 4.420 nan 0.000 0.293 325 P C -0.137 177.205 177.300 0.071 0.000 1.291 325 P CA -0.642 62.542 63.100 0.141 0.000 0.867 325 P CB 1.052 32.813 31.700 0.102 0.000 1.074 326 G N 1.038 109.863 108.800 0.041 0.000 2.614 326 G HA2 0.266 4.229 3.960 0.006 0.000 0.239 326 G HA3 0.266 4.229 3.960 0.006 0.000 0.239 326 G C 1.198 176.106 174.900 0.014 0.000 1.240 326 G CA 0.071 45.179 45.100 0.013 0.000 0.842 326 G HN 0.494 nan 8.290 nan 0.000 0.584 327 A N 0.231 123.057 122.820 0.010 0.000 1.940 327 A HA -0.137 4.187 4.320 0.006 0.000 0.219 327 A C 2.201 179.786 177.584 0.000 0.000 1.176 327 A CA 2.102 54.144 52.037 0.007 0.000 0.631 327 A CB -0.565 18.439 19.000 0.008 0.000 0.814 327 A HN 0.756 nan 8.150 nan 0.000 0.446 328 Q N -0.760 119.038 119.800 -0.003 0.000 1.942 328 Q HA -0.165 4.179 4.340 0.006 0.000 0.203 328 Q C 2.096 178.089 176.000 -0.012 0.000 0.987 328 Q CA 1.541 57.339 55.803 -0.009 0.000 0.844 328 Q CB -0.325 28.407 28.738 -0.010 0.000 0.911 328 Q HN 0.556 nan 8.270 nan 0.000 0.423 329 L N 0.666 121.883 121.223 -0.010 0.000 2.103 329 L HA -0.257 4.087 4.340 0.006 0.000 0.215 329 L C 2.193 179.057 176.870 -0.010 0.000 1.080 329 L CA 2.354 57.190 54.840 -0.007 0.000 0.764 329 L CB -1.365 40.704 42.059 0.016 0.000 0.890 329 L HN 0.397 nan 8.230 nan 0.000 0.435 330 A N 0.060 122.879 122.820 -0.002 0.000 1.845 330 A HA -0.257 4.067 4.320 0.006 0.000 0.215 330 A C 2.261 179.830 177.584 -0.025 0.000 1.195 330 A CA 1.746 53.778 52.037 -0.009 0.000 0.616 330 A CB -0.627 18.373 19.000 0.001 0.000 0.832 330 A HN 0.468 nan 8.150 nan 0.000 0.443 331 R N -0.548 119.940 120.500 -0.020 0.000 2.140 331 R HA -0.251 4.093 4.340 0.006 0.000 0.250 331 R C 2.486 178.764 176.300 -0.036 0.000 1.150 331 R CA 2.158 58.243 56.100 -0.024 0.000 0.966 331 R CB -0.401 29.887 30.300 -0.019 0.000 0.869 331 R HN 0.730 nan 8.270 nan 0.000 0.445 332 Q N 0.065 119.841 119.800 -0.041 0.000 2.079 332 Q HA -0.082 4.262 4.340 0.006 0.000 0.200 332 Q C 2.052 178.006 176.000 -0.076 0.000 0.974 332 Q CA 1.399 57.169 55.803 -0.054 0.000 0.840 332 Q CB -0.001 28.704 28.738 -0.054 0.000 0.898 332 Q HN 0.556 nan 8.270 nan 0.000 0.430 333 I N -3.783 116.737 120.570 -0.083 0.000 3.883 333 I HA 0.374 4.547 4.170 0.006 0.000 0.326 333 I C 0.618 176.663 176.117 -0.120 0.000 1.283 333 I CA 0.479 61.704 61.300 -0.124 0.000 1.161 333 I CB -0.021 37.895 38.000 -0.139 0.000 1.012 333 I HN 0.209 nan 8.210 nan 0.000 0.421 334 G N 2.089 110.841 108.800 -0.079 0.000 2.246 334 G HA2 -0.156 3.807 3.960 0.006 0.000 0.273 334 G HA3 -0.156 3.807 3.960 0.006 0.000 0.273 334 G C 0.139 175.011 174.900 -0.046 0.000 1.055 334 G CA 0.220 45.284 45.100 -0.060 0.000 0.851 334 G HN 0.974 nan 8.290 nan 0.000 0.500 335 A N -0.769 122.027 122.820 -0.039 0.000 2.330 335 A HA 0.950 5.274 4.320 0.006 0.000 0.329 335 A C 0.480 178.059 177.584 -0.007 0.000 1.135 335 A CA 0.563 52.587 52.037 -0.023 0.000 0.817 335 A CB 1.596 20.579 19.000 -0.029 0.000 1.269 335 A HN 1.800 nan 8.150 nan 0.000 0.469 336 S N 0.068 115.770 115.700 0.002 0.000 2.687 336 S HA 0.420 4.894 4.470 0.006 0.000 0.283 336 S C 0.730 175.339 174.600 0.014 0.000 1.170 336 S CA -0.603 57.602 58.200 0.009 0.000 1.008 336 S CB 0.512 63.720 63.200 0.013 0.000 1.026 336 S HN 0.541 nan 8.310 nan 0.000 0.541 337 L N 2.680 123.914 121.223 0.017 0.000 2.191 337 L HA -0.027 4.317 4.340 0.006 0.000 0.212 337 L C 1.815 178.702 176.870 0.028 0.000 1.103 337 L CA 1.804 56.658 54.840 0.023 0.000 0.769 337 L CB -1.645 40.427 42.059 0.022 0.000 0.908 337 L HN 0.914 nan 8.230 nan 0.000 0.438 338 N N -2.130 116.585 118.700 0.025 0.000 2.336 338 N HA -0.025 4.719 4.740 0.006 0.000 0.189 338 N C -0.007 175.518 175.510 0.024 0.000 1.113 338 N CA -0.093 52.973 53.050 0.027 0.000 0.858 338 N CB -0.466 38.037 38.487 0.026 0.000 0.970 338 N HN 0.095 nan 8.380 nan 0.000 0.471 339 D N 1.140 121.552 120.400 0.020 0.000 2.389 339 D HA 0.106 4.750 4.640 0.006 0.000 0.247 339 D C -0.475 175.822 176.300 -0.005 0.000 1.128 339 D CA 0.216 54.222 54.000 0.011 0.000 0.884 339 D CB 0.572 41.376 40.800 0.007 0.000 1.194 339 D HN 0.100 nan 8.370 nan 0.000 0.441 340 D N 1.369 121.756 120.400 -0.021 0.000 2.302 340 D HA 0.290 4.934 4.640 0.006 0.000 0.248 340 D C 0.104 176.324 176.300 -0.134 0.000 1.094 340 D CA -0.127 53.830 54.000 -0.072 0.000 0.897 340 D CB 1.009 41.766 40.800 -0.072 0.000 1.200 340 D HN 0.142 nan 8.370 nan 0.000 0.429 341 I N 1.999 122.430 120.570 -0.230 0.000 2.730 341 I HA 0.231 4.405 4.170 0.006 0.000 0.298 341 I C -0.493 175.277 176.117 -0.579 0.000 1.089 341 I CA -0.905 60.149 61.300 -0.409 0.000 1.041 341 I CB 1.818 39.483 38.000 -0.557 0.000 1.235 341 I HN 0.153 nan 8.210 nan 0.000 0.423 342 L N 6.025 126.948 121.223 -0.499 0.000 2.272 342 L HA 0.489 4.833 4.340 0.006 0.000 0.284 342 L C -1.213 175.463 176.870 -0.324 0.000 1.045 342 L CA 0.109 54.735 54.840 -0.357 0.000 0.842 342 L CB -0.049 41.949 42.059 -0.102 0.000 1.224 342 L HN 0.236 nan 8.230 nan 0.000 0.430 343 F N 4.935 124.899 119.950 0.022 0.000 2.404 343 F HA 0.622 5.153 4.527 0.007 0.000 0.359 343 F C 0.827 176.666 175.800 0.064 0.000 1.134 343 F CA -0.244 57.786 58.000 0.051 0.000 1.160 343 F CB 0.780 39.814 39.000 0.057 0.000 1.186 343 F HN 0.624 nan 8.300 nan 0.000 0.526 344 A N 3.354 126.333 122.820 0.265 0.000 2.342 344 A HA 0.759 5.083 4.320 0.006 0.000 0.323 344 A C -1.006 176.707 177.584 0.215 0.000 1.125 344 A CA -0.710 51.445 52.037 0.196 0.000 0.785 344 A CB 1.268 20.461 19.000 0.321 0.000 1.221 344 A HN 0.473 nan 8.150 nan 0.000 0.463 345 V N 3.345 123.291 119.914 0.054 0.000 2.350 345 V HA 0.420 4.543 4.120 0.006 0.000 0.276 345 V C -0.847 175.241 176.094 -0.009 0.000 1.028 345 V CA 0.009 62.360 62.300 0.084 0.000 0.860 345 V CB 0.335 32.171 31.823 0.022 0.000 0.990 345 V HN 0.729 nan 8.190 nan 0.000 0.453 346 F N 2.958 122.978 119.950 0.117 0.000 2.440 346 F HA 0.827 5.357 4.527 0.006 0.000 0.328 346 F C 0.565 176.517 175.800 0.254 0.000 1.070 346 F CA -0.395 57.716 58.000 0.184 0.000 1.011 346 F CB 1.734 40.876 39.000 0.237 0.000 1.226 346 F HN 0.512 nan 8.300 nan 0.000 0.491 347 A N 1.193 124.306 122.820 0.487 0.000 2.423 347 A HA 0.548 4.872 4.320 0.006 0.000 0.304 347 A C -1.156 176.669 177.584 0.401 0.000 1.104 347 A CA -0.785 51.539 52.037 0.478 0.000 0.757 347 A CB 1.436 20.581 19.000 0.242 0.000 1.313 347 A HN 0.699 nan 8.150 nan 0.000 0.423 348 Q N 1.184 121.081 119.800 0.162 0.000 2.307 348 Q HA 0.412 4.756 4.340 0.006 0.000 0.259 348 Q C 0.331 176.313 176.000 -0.030 0.000 0.998 348 Q CA -0.225 55.468 55.803 -0.183 0.000 0.923 348 Q CB 0.547 28.964 28.738 -0.534 0.000 1.196 348 Q HN 0.900 nan 8.270 nan 0.000 0.416 349 S N 3.620 119.323 115.700 0.005 0.000 2.614 349 S HA 0.284 4.758 4.470 0.006 0.000 0.265 349 S C -0.020 174.577 174.600 -0.004 0.000 1.303 349 S CA -0.706 57.505 58.200 0.018 0.000 1.000 349 S CB 1.101 64.329 63.200 0.048 0.000 0.935 349 S HN 0.584 nan 8.310 nan 0.000 0.551 350 K N 0.881 121.277 120.400 -0.006 0.000 2.156 350 K HA 0.257 4.581 4.320 0.006 0.000 0.242 350 K C -2.531 174.078 176.600 0.014 0.000 1.033 350 K CA -1.460 54.825 56.287 -0.004 0.000 0.878 350 K CB -0.604 31.890 32.500 -0.010 0.000 1.057 350 K HN 0.433 nan 8.250 nan 0.000 0.505 351 P HA -0.040 nan 4.420 nan 0.000 0.264 351 P C -0.982 176.356 177.300 0.063 0.000 1.193 351 P CA 0.423 63.543 63.100 0.033 0.000 0.763 351 P CB 0.203 31.917 31.700 0.023 0.000 0.810 352 D N -0.337 120.122 120.400 0.098 0.000 2.739 352 D HA -0.180 4.464 4.640 0.006 0.000 0.230 352 D C 0.148 176.584 176.300 0.227 0.000 1.167 352 D CA 1.359 55.458 54.000 0.166 0.000 0.640 352 D CB -0.950 39.924 40.800 0.124 0.000 1.045 352 D HN 0.317 nan 8.370 nan 0.000 0.421 353 S N -2.025 113.772 115.700 0.162 0.000 2.732 353 S HA 0.794 5.268 4.470 0.006 0.000 0.293 353 S C 0.175 174.604 174.600 -0.285 0.000 1.159 353 S CA 0.081 58.262 58.200 -0.032 0.000 0.847 353 S CB 2.037 65.204 63.200 -0.055 0.000 1.169 353 S HN 0.087 nan 8.310 nan 0.000 0.501 354 A N 0.589 123.034 122.820 -0.624 0.000 2.469 354 A HA 0.434 4.758 4.320 0.006 0.000 0.245 354 A C 0.153 177.575 177.584 -0.270 0.000 1.221 354 A CA -0.207 51.444 52.037 -0.642 0.000 0.946 354 A CB -0.153 18.160 19.000 -1.144 0.000 1.049 354 A HN 0.745 nan 8.150 nan 0.000 0.529 355 E N 1.343 121.428 120.200 -0.192 0.000 2.390 355 E HA 0.305 4.659 4.350 0.006 0.000 0.261 355 E C -2.581 173.990 176.600 -0.048 0.000 1.076 355 E CA -1.631 54.711 56.400 -0.097 0.000 0.905 355 E CB 0.458 30.113 29.700 -0.074 0.000 0.984 355 E HN 0.227 nan 8.360 nan 0.000 0.427 356 P HA 0.236 nan 4.420 nan 0.000 0.293 356 P C -0.835 176.475 177.300 0.017 0.000 1.291 356 P CA -0.442 62.668 63.100 0.017 0.000 0.867 356 P CB 0.966 32.686 31.700 0.034 0.000 1.074 357 M N 0.617 120.234 119.600 0.028 0.000 2.513 357 M HA 0.286 4.770 4.480 0.006 0.000 0.291 357 M C 0.250 176.584 176.300 0.055 0.000 1.190 357 M CA -0.494 54.822 55.300 0.027 0.000 0.960 357 M CB 0.462 33.069 32.600 0.012 0.000 1.517 357 M HN 0.170 nan 8.290 nan 0.000 0.499 358 D N 2.453 122.883 120.400 0.051 0.000 2.885 358 D HA 0.134 4.778 4.640 0.006 0.000 0.234 358 D C -0.545 175.822 176.300 0.111 0.000 1.129 358 D CA 0.432 54.473 54.000 0.068 0.000 0.991 358 D CB -0.297 40.531 40.800 0.046 0.000 1.137 358 D HN 0.288 nan 8.370 nan 0.000 0.459 359 R N 0.290 120.889 120.500 0.166 0.000 2.518 359 R HA 0.375 4.719 4.340 0.006 0.000 0.296 359 R C -0.794 175.822 176.300 0.527 0.000 1.080 359 R CA -0.499 55.774 56.100 0.289 0.000 0.922 359 R CB 1.766 32.184 30.300 0.198 0.000 1.184 359 R HN -0.086 nan 8.270 nan 0.000 0.445 360 S N 0.974 116.931 115.700 0.429 0.000 2.600 360 S HA 0.920 5.393 4.470 0.006 0.000 0.300 360 S C -0.834 173.694 174.600 -0.119 0.000 1.087 360 S CA -0.720 57.633 58.200 0.255 0.000 0.965 360 S CB 2.192 65.473 63.200 0.135 0.000 1.089 360 S HN 0.717 nan 8.310 nan 0.000 0.496 361 A N 1.742 124.406 122.820 -0.261 0.000 2.588 361 A HA 0.924 5.248 4.320 0.006 0.000 0.290 361 A C -1.610 175.992 177.584 0.031 0.000 1.136 361 A CA -0.603 51.218 52.037 -0.358 0.000 0.681 361 A CB 1.852 20.176 19.000 -1.127 0.000 1.282 361 A HN 0.670 nan 8.150 nan 0.000 0.421 362 M N 0.456 120.095 119.600 0.065 0.000 2.365 362 M HA 0.574 5.057 4.480 0.006 0.000 0.288 362 M C -1.859 174.415 176.300 -0.043 0.000 1.152 362 M CA -0.306 55.065 55.300 0.119 0.000 0.948 362 M CB 1.120 33.855 32.600 0.224 0.000 1.729 362 M HN 1.353 nan 8.290 nan 0.000 0.487 363 c N 1.302 119.903 118.600 0.001 0.000 3.332 363 c HA 1.018 5.591 4.570 0.006 0.000 0.329 363 c C -0.280 173.704 174.090 -0.176 0.000 1.434 363 c CA -1.045 55.177 56.329 -0.178 0.000 1.314 363 c CB 1.172 43.483 42.510 -0.331 0.000 1.664 363 c HN 1.049 nan 8.230 nan 0.000 0.457 364 A N 0.207 122.824 122.820 -0.340 0.000 2.318 364 A HA 0.867 5.191 4.320 0.006 0.000 0.324 364 A C -1.354 175.915 177.584 -0.525 0.000 1.170 364 A CA -0.217 51.611 52.037 -0.349 0.000 0.810 364 A CB 0.336 19.178 19.000 -0.263 0.000 1.198 364 A HN 0.718 nan 8.150 nan 0.000 0.484 365 F N 3.021 122.857 119.950 -0.189 0.000 2.403 365 F HA 0.404 4.935 4.527 0.006 0.000 0.355 365 F C -2.303 173.420 175.800 -0.129 0.000 1.119 365 F CA -2.125 55.824 58.000 -0.084 0.000 1.007 365 F CB 2.179 41.161 39.000 -0.030 0.000 1.194 365 F HN 0.310 nan 8.300 nan 0.000 0.443 366 P HA 0.095 nan 4.420 nan 0.000 0.271 366 P C 0.770 178.147 177.300 0.130 0.000 1.226 366 P CA -0.019 63.107 63.100 0.043 0.000 0.765 366 P CB 0.814 32.536 31.700 0.037 0.000 0.835 367 I N 3.869 124.459 120.570 0.033 0.000 2.118 367 I HA -0.283 3.891 4.170 0.006 0.000 0.241 367 I C 2.060 178.239 176.117 0.104 0.000 1.070 367 I CA 1.847 63.164 61.300 0.028 0.000 1.327 367 I CB -0.696 37.283 38.000 -0.035 0.000 1.034 367 I HN 0.383 nan 8.210 nan 0.000 0.405 368 K N -1.106 119.359 120.400 0.109 0.000 2.103 368 K HA -0.269 4.055 4.320 0.006 0.000 0.207 368 K C 2.277 178.976 176.600 0.166 0.000 1.048 368 K CA 1.770 58.129 56.287 0.121 0.000 0.930 368 K CB -0.535 32.024 32.500 0.098 0.000 0.716 368 K HN 0.270 nan 8.250 nan 0.000 0.444 369 Y N 1.644 121.985 120.300 0.068 0.000 2.114 369 Y HA -0.285 4.269 4.550 0.006 0.000 0.282 369 Y C 2.077 178.111 175.900 0.224 0.000 1.165 369 Y CA 1.100 59.275 58.100 0.124 0.000 1.148 369 Y CB -0.580 37.955 38.460 0.125 0.000 0.972 369 Y HN -0.229 nan 8.280 nan 0.000 0.504 370 V N 1.070 121.053 119.914 0.115 0.000 2.261 370 V HA -0.346 3.777 4.120 0.006 0.000 0.246 370 V C 2.080 178.203 176.094 0.048 0.000 1.047 370 V CA 2.337 64.624 62.300 -0.022 0.000 1.015 370 V CB -0.712 31.128 31.823 0.029 0.000 0.642 370 V HN 0.469 nan 8.190 nan 0.000 0.446 371 N N -0.007 118.789 118.700 0.159 0.000 2.364 371 N HA -0.178 4.566 4.740 0.006 0.000 0.183 371 N C 1.500 177.063 175.510 0.088 0.000 1.022 371 N CA 1.467 54.627 53.050 0.183 0.000 0.883 371 N CB -0.483 38.055 38.487 0.085 0.000 0.965 371 N HN 0.562 nan 8.380 nan 0.000 0.438 372 D N -0.572 119.828 120.400 -0.001 0.000 2.178 372 D HA -0.060 4.583 4.640 0.006 0.000 0.201 372 D C 1.325 177.457 176.300 -0.280 0.000 0.980 372 D CA 0.879 54.787 54.000 -0.153 0.000 0.842 372 D CB 0.007 40.654 40.800 -0.256 0.000 0.948 372 D HN 0.178 nan 8.370 nan 0.000 0.472 373 F N -1.180 118.619 119.950 -0.252 0.000 2.317 373 F HA 0.158 4.689 4.527 0.007 0.000 0.293 373 F C 1.818 177.502 175.800 -0.193 0.000 1.085 373 F CA 0.270 58.070 58.000 -0.334 0.000 1.390 373 F CB -0.435 38.191 39.000 -0.625 0.000 1.077 373 F HN -0.066 nan 8.300 nan 0.000 0.517 374 F N 0.618 120.599 119.950 0.052 0.000 2.373 374 F HA -0.197 4.334 4.527 0.006 0.000 0.300 374 F C 0.904 176.798 175.800 0.156 0.000 1.080 374 F CA 0.516 58.609 58.000 0.156 0.000 1.417 374 F CB -0.233 38.784 39.000 0.028 0.000 1.070 374 F HN -0.023 nan 8.300 nan 0.000 0.546 375 N N 0.116 118.959 118.700 0.238 0.000 2.328 375 N HA 0.146 4.890 4.740 0.006 0.000 0.247 375 N C -0.487 175.084 175.510 0.101 0.000 1.165 375 N CA 0.109 53.245 53.050 0.143 0.000 0.873 375 N CB 0.337 38.871 38.487 0.077 0.000 1.125 375 N HN 0.182 nan 8.380 nan 0.000 0.513 376 K N 0.039 120.530 120.400 0.153 0.000 2.372 376 K HA 0.628 4.952 4.320 0.006 0.000 0.251 376 K C -0.486 176.226 176.600 0.186 0.000 1.055 376 K CA -0.860 55.495 56.287 0.113 0.000 0.879 376 K CB 2.103 34.623 32.500 0.033 0.000 1.384 376 K HN -0.031 nan 8.250 nan 0.000 0.465 383 V N 2.279 122.167 119.914 -0.044 0.000 2.971 383 V HA 0.763 4.887 4.120 0.006 0.000 0.309 383 V C -1.027 175.034 176.094 -0.055 0.000 1.130 383 V CA -0.487 61.735 62.300 -0.131 0.000 0.964 383 V CB 2.118 33.745 31.823 -0.327 0.000 1.029 383 V HN 0.655 nan 8.190 nan 0.000 0.427 384 R N 2.851 123.343 120.500 -0.013 0.000 2.960 384 R HA 0.808 5.152 4.340 0.006 0.000 0.249 384 R C -0.743 175.616 176.300 0.099 0.000 1.192 384 R CA -0.118 56.005 56.100 0.038 0.000 1.035 384 R CB 1.756 32.091 30.300 0.059 0.000 1.234 384 R HN 1.042 nan 8.270 nan 0.000 0.493 385 C N 2.237 121.632 119.300 0.158 0.000 2.225 385 C HA 0.432 4.896 4.460 0.006 0.000 0.328 385 C C 0.335 175.576 174.990 0.419 0.000 1.187 385 C CA -1.185 58.025 59.018 0.320 0.000 1.665 385 C CB -0.956 26.910 27.740 0.209 0.000 2.253 385 C HN 0.813 nan 8.230 nan 0.000 0.497 386 L N 3.193 124.644 121.223 0.380 0.000 3.409 386 L HA -0.169 4.175 4.340 0.006 0.000 0.366 386 L C 1.522 178.481 176.870 0.149 0.000 0.947 386 L CA 1.065 56.029 54.840 0.207 0.000 0.866 386 L CB -0.308 41.784 42.059 0.055 0.000 1.397 386 L HN 0.861 nan 8.230 nan 0.000 0.622 387 Q N 2.468 122.345 119.800 0.129 0.000 2.079 387 Q HA -0.179 4.165 4.340 0.006 0.000 0.200 387 Q C 1.655 177.695 176.000 0.065 0.000 0.974 387 Q CA 2.344 58.205 55.803 0.097 0.000 0.840 387 Q CB -0.164 28.598 28.738 0.041 0.000 0.898 387 Q HN 0.981 nan 8.270 nan 0.000 0.430 388 H N -2.605 116.513 119.070 0.079 0.000 2.563 388 H HA 0.033 4.593 4.556 0.006 0.000 0.272 388 H C 1.183 176.638 175.328 0.211 0.000 1.005 388 H CA 0.736 56.852 56.048 0.113 0.000 1.171 388 H CB -0.175 29.644 29.762 0.095 0.000 1.351 388 H HN 0.223 nan 8.280 nan 0.000 0.602 389 F N 0.076 119.792 119.950 -0.391 0.000 2.479 389 F HA 0.129 4.660 4.527 0.007 0.000 0.280 389 F C 1.130 176.751 175.800 -0.298 0.000 0.982 389 F CA 0.053 57.790 58.000 -0.439 0.000 1.276 389 F CB -0.303 38.236 39.000 -0.768 0.000 1.137 389 F HN 0.014 nan 8.300 nan 0.000 0.660 390 Y N 0.748 120.943 120.300 -0.176 0.000 2.231 390 Y HA 0.434 4.988 4.550 0.006 0.000 0.294 390 Y C 1.492 177.346 175.900 -0.076 0.000 1.120 390 Y CA 0.663 58.620 58.100 -0.238 0.000 1.141 390 Y CB -0.799 37.590 38.460 -0.118 0.000 1.022 390 Y HN 0.199 nan 8.280 nan 0.000 0.523 391 G N -0.857 108.063 108.800 0.200 0.000 2.479 391 G HA2 -0.123 3.841 3.960 0.006 0.000 0.686 391 G HA3 -0.123 3.841 3.960 0.006 0.000 0.686 391 G C -2.339 172.650 174.900 0.148 0.000 1.295 391 G CA -0.651 44.580 45.100 0.219 0.000 0.922 391 G HN -0.066 nan 8.290 nan 0.000 0.582 392 P HA 0.034 nan 4.420 nan 0.000 0.226 392 P C 0.583 177.915 177.300 0.053 0.000 1.146 392 P CA 1.877 65.017 63.100 0.067 0.000 0.773 392 P CB -0.113 31.620 31.700 0.056 0.000 0.772 415 E N 0.978 121.239 120.200 0.103 0.000 2.406 415 E HA 0.082 4.436 4.350 0.006 0.000 0.258 415 E C -0.725 175.984 176.600 0.180 0.000 1.043 415 E CA 0.276 56.769 56.400 0.154 0.000 0.929 415 E CB -0.055 29.733 29.700 0.147 0.000 0.969 415 E HN 0.329 nan 8.360 nan 0.000 0.462 416 Y N 2.387 122.778 120.300 0.151 0.000 2.377 416 Y HA 0.077 4.631 4.550 0.006 0.000 0.330 416 Y C 0.676 176.709 175.900 0.221 0.000 1.108 416 Y CA 0.122 58.354 58.100 0.221 0.000 1.308 416 Y CB 0.698 39.242 38.460 0.140 0.000 1.216 416 Y HN 0.151 nan 8.280 nan 0.000 0.518 417 R N 2.058 122.774 120.500 0.360 0.000 2.215 417 R HA 0.337 4.681 4.340 0.006 0.000 0.336 417 R C 0.084 176.618 176.300 0.389 0.000 0.996 417 R CA -0.496 55.720 56.100 0.193 0.000 0.847 417 R CB 1.146 31.177 30.300 -0.448 0.000 1.127 417 R HN 0.662 nan 8.270 nan 0.000 0.465 418 T N 0.131 114.910 114.554 0.375 0.000 2.804 418 T HA 0.640 4.993 4.350 0.006 0.000 0.272 418 T C -1.246 173.582 174.700 0.214 0.000 0.986 418 T CA -0.576 61.696 62.100 0.288 0.000 0.999 418 T CB 1.175 70.144 68.868 0.168 0.000 1.307 418 T HN 0.602 nan 8.240 nan 0.000 0.586 419 E N -0.004 120.251 120.200 0.092 0.000 2.388 419 E HA 0.354 4.708 4.350 0.006 0.000 0.282 419 E C -1.848 174.742 176.600 -0.016 0.000 1.026 419 E CA -0.628 55.843 56.400 0.118 0.000 0.820 419 E CB 1.095 30.908 29.700 0.189 0.000 1.226 419 E HN 0.500 nan 8.360 nan 0.000 0.432 420 F N 0.961 120.977 119.950 0.110 0.000 2.377 420 F HA 0.297 4.828 4.527 0.006 0.000 0.328 420 F C 1.455 177.283 175.800 0.047 0.000 1.094 420 F CA 0.029 58.064 58.000 0.058 0.000 1.093 420 F CB 1.920 40.917 39.000 -0.004 0.000 1.214 420 F HN 0.498 nan 8.300 nan 0.000 0.518 421 T N -1.971 112.725 114.554 0.237 0.000 3.308 421 T HA 0.372 4.726 4.350 0.006 0.000 0.270 421 T C -0.600 174.175 174.700 0.126 0.000 0.992 421 T CA -0.343 61.849 62.100 0.153 0.000 0.931 421 T CB -0.759 68.170 68.868 0.102 0.000 1.142 421 T HN 0.615 nan 8.240 nan 0.000 0.525 422 T N -0.347 114.276 114.554 0.115 0.000 3.579 422 T HA 0.642 4.996 4.350 0.006 0.000 0.360 422 T C -0.461 174.218 174.700 -0.034 0.000 1.285 422 T CA -0.885 61.245 62.100 0.050 0.000 1.127 422 T CB 0.735 69.626 68.868 0.039 0.000 1.244 422 T HN 0.458 nan 8.240 nan 0.000 0.476 423 A N 3.301 126.096 122.820 -0.042 0.000 2.401 423 A HA 0.677 5.001 4.320 0.006 0.000 0.259 423 A C 0.424 177.889 177.584 -0.197 0.000 1.103 423 A CA -0.694 51.269 52.037 -0.123 0.000 0.789 423 A CB 0.217 19.183 19.000 -0.056 0.000 1.035 423 A HN 1.034 nan 8.150 nan 0.000 0.491 424 L N 2.322 123.351 121.223 -0.325 0.000 2.456 424 L HA 0.327 4.671 4.340 0.006 0.000 0.272 424 L C 0.281 177.071 176.870 -0.133 0.000 1.189 424 L CA -0.020 54.597 54.840 -0.372 0.000 0.846 424 L CB 0.546 42.261 42.059 -0.572 0.000 1.111 424 L HN 0.911 nan 8.230 nan 0.000 0.475 425 Q N 4.293 124.058 119.800 -0.059 0.000 2.315 425 Q HA 0.597 4.941 4.340 0.006 0.000 0.273 425 Q C -1.544 174.452 176.000 -0.005 0.000 1.053 425 Q CA -1.200 54.611 55.803 0.014 0.000 0.817 425 Q CB 2.213 30.932 28.738 -0.032 0.000 1.326 425 Q HN 0.463 nan 8.270 nan 0.000 0.423 426 R N 0.647 121.095 120.500 -0.086 0.000 2.923 426 R HA 0.707 5.051 4.340 0.006 0.000 0.252 426 R C -0.190 175.999 176.300 -0.185 0.000 1.130 426 R CA -0.827 55.140 56.100 -0.221 0.000 1.043 426 R CB 1.301 31.281 30.300 -0.534 0.000 1.205 426 R HN 0.693 nan 8.270 nan 0.000 0.495 427 V N -1.772 118.033 119.914 -0.182 0.000 2.732 427 V HA 0.413 4.537 4.120 0.006 0.000 0.310 427 V C 0.004 176.000 176.094 -0.163 0.000 1.053 427 V CA -1.070 61.149 62.300 -0.135 0.000 0.957 427 V CB 1.789 33.554 31.823 -0.096 0.000 1.018 427 V HN 0.574 nan 8.190 nan 0.000 0.452 428 D N 1.725 122.045 120.400 -0.134 0.000 2.450 428 D HA 0.098 4.742 4.640 0.006 0.000 0.247 428 D C 0.834 177.027 176.300 -0.178 0.000 1.162 428 D CA 0.358 54.268 54.000 -0.149 0.000 0.879 428 D CB 1.031 41.760 40.800 -0.118 0.000 1.163 428 D HN 0.643 nan 8.370 nan 0.000 0.472 429 L N 3.309 124.339 121.223 -0.322 0.000 2.478 429 L HA 0.012 4.356 4.340 0.006 0.000 0.223 429 L C 1.300 177.914 176.870 -0.427 0.000 1.140 429 L CA 0.337 54.929 54.840 -0.413 0.000 0.842 429 L CB -0.150 41.582 42.059 -0.546 0.000 0.953 429 L HN 0.452 nan 8.230 nan 0.000 0.452 430 F N -1.099 118.857 119.950 0.009 0.000 2.641 430 F HA 0.193 4.724 4.527 0.007 0.000 0.302 430 F C 1.059 176.833 175.800 -0.043 0.000 1.098 430 F CA -0.409 57.597 58.000 0.010 0.000 1.318 430 F CB -0.086 38.984 39.000 0.116 0.000 1.035 430 F HN -0.060 nan 8.300 nan 0.000 0.551 431 M N 1.021 120.659 119.600 0.063 0.000 2.173 431 M HA -0.286 4.197 4.480 0.006 0.000 0.197 431 M C 1.195 177.515 176.300 0.034 0.000 0.296 431 M CA 1.154 56.470 55.300 0.026 0.000 0.385 431 M CB -2.101 30.505 32.600 0.010 0.000 1.141 431 M HN 0.593 nan 8.290 nan 0.000 0.938 432 G N -0.360 108.470 108.800 0.051 0.000 2.141 432 G HA2 -0.323 3.641 3.960 0.006 0.000 0.242 432 G HA3 -0.323 3.641 3.960 0.006 0.000 0.242 432 G C 0.330 175.225 174.900 -0.008 0.000 0.982 432 G CA 0.710 45.834 45.100 0.040 0.000 0.662 432 G HN 0.659 nan 8.290 nan 0.000 0.527 433 Q N -0.857 118.906 119.800 -0.062 0.000 2.096 433 Q HA 0.034 4.378 4.340 0.006 0.000 0.204 433 Q C 1.294 176.985 176.000 -0.516 0.000 0.982 433 Q CA 1.499 57.094 55.803 -0.347 0.000 0.850 433 Q CB -0.100 28.313 28.738 -0.541 0.000 0.901 433 Q HN 0.667 nan 8.270 nan 0.000 0.422 434 F N -0.101 119.813 119.950 -0.060 0.000 2.925 434 F HA 0.206 4.737 4.527 0.006 0.000 0.302 434 F C 1.644 177.449 175.800 0.009 0.000 1.189 434 F CA -0.102 57.855 58.000 -0.072 0.000 1.346 434 F CB 0.431 39.343 39.000 -0.146 0.000 0.954 434 F HN 0.052 nan 8.300 nan 0.000 0.506 435 S N 0.072 115.855 115.700 0.138 0.000 2.419 435 S HA -0.139 4.335 4.470 0.006 0.000 0.233 435 S C 1.307 176.024 174.600 0.195 0.000 1.016 435 S CA 1.373 59.692 58.200 0.199 0.000 0.974 435 S CB -0.028 63.264 63.200 0.154 0.000 0.786 435 S HN 0.328 nan 8.310 nan 0.000 0.492 436 E N 0.771 121.051 120.200 0.134 0.000 3.646 436 E HA 0.419 4.773 4.350 0.006 0.000 0.211 436 E C -1.430 175.231 176.600 0.101 0.000 1.034 436 E CA -0.146 56.318 56.400 0.107 0.000 1.341 436 E CB 0.940 30.680 29.700 0.066 0.000 1.202 436 E HN 0.302 nan 8.360 nan 0.000 0.447 437 V N 0.490 120.485 119.914 0.135 0.000 3.147 437 V HA 0.420 4.544 4.120 0.006 0.000 0.306 437 V C -1.323 174.828 176.094 0.095 0.000 1.209 437 V CA -0.861 61.503 62.300 0.107 0.000 1.023 437 V CB 2.608 34.513 31.823 0.136 0.000 1.059 437 V HN 0.275 nan 8.190 nan 0.000 0.435 438 L N 5.504 126.756 121.223 0.048 0.000 2.287 438 L HA 0.515 4.858 4.340 0.006 0.000 0.280 438 L C -0.760 176.100 176.870 -0.018 0.000 1.055 438 L CA -0.511 54.349 54.840 0.035 0.000 0.863 438 L CB 0.837 42.911 42.059 0.026 0.000 1.245 438 L HN 0.602 nan 8.230 nan 0.000 0.432 439 L N 4.590 125.785 121.223 -0.047 0.000 2.361 439 L HA 0.167 4.510 4.340 0.006 0.000 0.278 439 L C 1.171 178.001 176.870 -0.068 0.000 1.113 439 L CA 0.008 54.771 54.840 -0.129 0.000 0.849 439 L CB 1.054 42.971 42.059 -0.237 0.000 1.155 439 L HN 0.617 nan 8.230 nan 0.000 0.452 440 T N -2.177 112.338 114.554 -0.065 0.000 3.200 440 T HA 0.226 4.580 4.350 0.006 0.000 0.284 440 T C 0.176 174.869 174.700 -0.013 0.000 1.009 440 T CA -0.390 61.695 62.100 -0.025 0.000 0.907 440 T CB 0.344 69.206 68.868 -0.010 0.000 1.120 440 T HN 0.427 nan 8.240 nan 0.000 0.534 441 S N 0.480 116.157 115.700 -0.038 0.000 2.579 441 S HA 0.605 5.079 4.470 0.006 0.000 0.290 441 S C -2.166 172.404 174.600 -0.049 0.000 1.123 441 S CA -0.752 57.440 58.200 -0.012 0.000 0.894 441 S CB 1.473 64.686 63.200 0.022 0.000 1.095 441 S HN 0.377 nan 8.310 nan 0.000 0.450 442 I N 3.599 124.156 120.570 -0.022 0.000 2.607 442 I HA 0.660 4.834 4.170 0.006 0.000 0.290 442 I C -0.918 175.126 176.117 -0.120 0.000 1.129 442 I CA -0.130 61.135 61.300 -0.058 0.000 1.042 442 I CB 2.069 40.068 38.000 -0.001 0.000 1.242 442 I HN 0.804 nan 8.210 nan 0.000 0.421 443 S N 4.233 119.786 115.700 -0.245 0.000 2.667 443 S HA 0.764 5.237 4.470 0.006 0.000 0.292 443 S C -0.667 173.640 174.600 -0.489 0.000 1.126 443 S CA -0.670 57.166 58.200 -0.607 0.000 0.881 443 S CB 2.363 65.328 63.200 -0.392 0.000 1.132 443 S HN 0.620 nan 8.310 nan 0.000 0.492 444 T N 2.299 116.468 114.554 -0.641 0.000 3.071 444 T HA 0.658 5.011 4.350 0.006 0.000 0.311 444 T C -1.584 173.155 174.700 0.065 0.000 1.042 444 T CA -0.537 61.415 62.100 -0.248 0.000 1.028 444 T CB 0.380 69.088 68.868 -0.267 0.000 1.068 444 T HN 0.542 nan 8.240 nan 0.000 0.451 445 F N 1.705 121.568 119.950 -0.145 0.000 2.626 445 F HA 0.863 5.393 4.527 0.006 0.000 0.311 445 F C -1.596 174.176 175.800 -0.048 0.000 1.088 445 F CA -1.817 56.149 58.000 -0.056 0.000 0.949 445 F CB 0.850 39.792 39.000 -0.097 0.000 1.322 445 F HN 0.346 nan 8.300 nan 0.000 0.461 446 I N 2.388 122.983 120.570 0.042 0.000 2.354 446 I HA 0.447 4.621 4.170 0.006 0.000 0.292 446 I C -0.717 175.404 176.117 0.006 0.000 0.989 446 I CA -0.658 60.608 61.300 -0.057 0.000 1.188 446 I CB 1.840 39.856 38.000 0.027 0.000 1.342 446 I HN 0.571 nan 8.210 nan 0.000 0.457 447 K N 4.531 124.847 120.400 -0.140 0.000 2.502 447 K HA 0.634 4.958 4.320 0.006 0.000 0.254 447 K C 0.341 176.912 176.600 -0.048 0.000 0.947 447 K CA -0.231 55.981 56.287 -0.126 0.000 0.834 447 K CB 1.964 34.183 32.500 -0.469 0.000 1.112 447 K HN 0.857 nan 8.250 nan 0.000 0.427 448 G N 3.001 111.810 108.800 0.014 0.000 2.523 448 G HA2 -0.308 3.656 3.960 0.006 0.000 0.271 448 G HA3 -0.308 3.656 3.960 0.006 0.000 0.271 448 G C 0.107 175.021 174.900 0.022 0.000 1.146 448 G CA 0.316 45.438 45.100 0.037 0.000 0.961 448 G HN 0.643 nan 8.290 nan 0.000 0.549 449 D N 0.906 121.318 120.400 0.021 0.000 2.369 449 D HA 0.333 4.977 4.640 0.006 0.000 0.211 449 D C 1.079 177.376 176.300 -0.004 0.000 1.077 449 D CA 0.123 54.129 54.000 0.009 0.000 0.842 449 D CB 0.178 40.984 40.800 0.010 0.000 0.947 449 D HN 0.385 nan 8.370 nan 0.000 0.509 450 L N 0.527 121.744 121.223 -0.011 0.000 2.357 450 L HA 0.342 4.686 4.340 0.006 0.000 0.273 450 L C 0.227 177.036 176.870 -0.102 0.000 1.080 450 L CA -0.195 54.626 54.840 -0.032 0.000 0.803 450 L CB 1.477 43.542 42.059 0.010 0.000 1.174 450 L HN -0.233 nan 8.230 nan 0.000 0.443 451 T N 3.475 117.958 114.554 -0.119 0.000 2.758 451 T HA 0.594 4.948 4.350 0.006 0.000 0.285 451 T C -0.317 174.210 174.700 -0.288 0.000 0.981 451 T CA -0.329 61.644 62.100 -0.211 0.000 0.965 451 T CB 0.946 69.718 68.868 -0.159 0.000 0.927 451 T HN 0.133 nan 8.240 nan 0.000 0.448 452 I N 2.709 122.951 120.570 -0.547 0.000 2.441 452 I HA 0.621 4.795 4.170 0.006 0.000 0.295 452 I C 0.150 175.975 176.117 -0.486 0.000 0.994 452 I CA -0.784 60.190 61.300 -0.545 0.000 1.144 452 I CB 1.678 39.172 38.000 -0.844 0.000 1.314 452 I HN 0.716 nan 8.210 nan 0.000 0.445 453 A N 4.765 127.471 122.820 -0.190 0.000 2.287 453 A HA 0.694 5.018 4.320 0.006 0.000 0.317 453 A C -0.799 176.746 177.584 -0.065 0.000 1.220 453 A CA -0.742 51.218 52.037 -0.129 0.000 0.835 453 A CB 0.056 19.002 19.000 -0.090 0.000 1.180 453 A HN 0.722 nan 8.150 nan 0.000 0.500 454 N N 3.092 121.779 118.700 -0.021 0.000 2.414 454 N HA 0.522 5.266 4.740 0.006 0.000 0.256 454 N C -0.669 174.618 175.510 -0.372 0.000 1.029 454 N CA -0.236 52.654 53.050 -0.268 0.000 0.948 454 N CB 0.672 39.096 38.487 -0.104 0.000 1.102 454 N HN 0.474 nan 8.380 nan 0.000 0.496 455 L N 0.390 121.301 121.223 -0.521 0.000 2.347 455 L HA 0.882 5.225 4.340 0.006 0.000 0.268 455 L C 0.842 177.492 176.870 -0.367 0.000 1.019 455 L CA -1.227 53.371 54.840 -0.404 0.000 0.806 455 L CB 1.380 43.138 42.059 -0.502 0.000 1.339 455 L HN 0.685 nan 8.230 nan 0.000 0.463 456 G N -0.846 107.808 108.800 -0.242 0.000 2.753 456 G HA2 0.533 4.497 3.960 0.006 0.000 0.297 456 G HA3 0.533 4.497 3.960 0.006 0.000 0.297 456 G C -1.116 173.704 174.900 -0.134 0.000 1.430 456 G CA -0.282 44.737 45.100 -0.135 0.000 1.040 456 G HN 0.355 nan 8.290 nan 0.000 0.530 457 T N 0.502 114.991 114.554 -0.109 0.000 2.847 457 T HA 0.350 4.704 4.350 0.006 0.000 0.279 457 T C 1.755 176.422 174.700 -0.055 0.000 0.984 457 T CA 0.270 62.319 62.100 -0.085 0.000 0.988 457 T CB 1.247 70.075 68.868 -0.067 0.000 1.040 457 T HN 0.866 nan 8.240 nan 0.000 0.528 458 S N -0.257 115.417 115.700 -0.043 0.000 2.786 458 S HA 0.122 4.595 4.470 0.006 0.000 0.223 458 S C 0.682 175.249 174.600 -0.055 0.000 0.956 458 S CA 0.201 58.376 58.200 -0.043 0.000 0.961 458 S CB -0.344 62.837 63.200 -0.030 0.000 0.784 458 S HN 0.759 nan 8.310 nan 0.000 0.519 459 E N -0.128 120.043 120.200 -0.049 0.000 2.702 459 E HA 0.316 4.670 4.350 0.006 0.000 0.225 459 E C 0.471 177.043 176.600 -0.047 0.000 0.942 459 E CA 0.102 56.473 56.400 -0.049 0.000 1.210 459 E CB 1.095 30.773 29.700 -0.036 0.000 1.143 459 E HN 0.558 nan 8.360 nan 0.000 0.544 460 G N 2.458 111.229 108.800 -0.049 0.000 2.309 460 G HA2 -0.203 3.761 3.960 0.006 0.000 0.183 460 G HA3 -0.203 3.761 3.960 0.006 0.000 0.183 460 G C -0.396 174.430 174.900 -0.123 0.000 1.063 460 G CA -0.613 44.453 45.100 -0.056 0.000 0.768 460 G HN 0.013 nan 8.290 nan 0.000 0.490 461 R N -0.041 120.386 120.500 -0.121 0.000 2.310 461 R HA 0.451 4.794 4.340 0.006 0.000 0.316 461 R C -0.501 175.703 176.300 -0.161 0.000 1.004 461 R CA -0.834 55.160 56.100 -0.176 0.000 0.900 461 R CB 1.206 31.439 30.300 -0.111 0.000 1.152 461 R HN 0.210 nan 8.270 nan 0.000 0.513 462 F N 5.422 125.129 119.950 -0.404 0.000 2.429 462 F HA 0.361 4.891 4.527 0.006 0.000 0.348 462 F C 0.104 175.841 175.800 -0.105 0.000 1.109 462 F CA -0.027 57.828 58.000 -0.242 0.000 1.232 462 F CB 0.701 39.569 39.000 -0.220 0.000 1.157 462 F HN 0.458 nan 8.300 nan 0.000 0.564 463 M N 4.453 123.600 119.600 -0.756 0.000 2.490 463 M HA 0.425 4.909 4.480 0.006 0.000 0.286 463 M C -2.199 173.754 176.300 -0.579 0.000 1.185 463 M CA -0.916 54.125 55.300 -0.432 0.000 0.912 463 M CB 2.307 34.809 32.600 -0.163 0.000 1.744 463 M HN 0.530 nan 8.290 nan 0.000 0.494 464 Q N 1.669 121.254 119.800 -0.358 0.000 2.274 464 Q HA 0.855 5.199 4.340 0.006 0.000 0.260 464 Q C -1.243 174.557 176.000 -0.332 0.000 0.974 464 Q CA -1.187 54.437 55.803 -0.298 0.000 0.876 464 Q CB 3.299 31.971 28.738 -0.110 0.000 1.297 464 Q HN 0.644 nan 8.270 nan 0.000 0.446 465 V N 1.121 120.994 119.914 -0.069 0.000 2.711 465 V HA 0.206 4.330 4.120 0.006 0.000 0.304 465 V C -0.233 175.977 176.094 0.193 0.000 1.097 465 V CA -1.034 61.321 62.300 0.092 0.000 0.906 465 V CB 1.843 33.732 31.823 0.110 0.000 1.015 465 V HN 0.564 nan 8.190 nan 0.000 0.427 466 V N 4.787 124.853 119.914 0.254 0.000 2.485 466 V HA 0.100 4.224 4.120 0.006 0.000 0.287 466 V C 0.291 176.465 176.094 0.133 0.000 1.022 466 V CA 0.148 62.541 62.300 0.154 0.000 1.067 466 V CB 1.356 33.257 31.823 0.130 0.000 0.967 466 V HN 0.642 nan 8.190 nan 0.000 0.479 467 V N 5.715 125.654 119.914 0.042 0.000 2.348 467 V HA 0.467 4.591 4.120 0.006 0.000 0.270 467 V C 0.248 176.315 176.094 -0.045 0.000 1.037 467 V CA 0.262 62.556 62.300 -0.010 0.000 0.872 467 V CB 1.336 33.083 31.823 -0.127 0.000 1.002 467 V HN 0.903 nan 8.190 nan 0.000 0.464 468 S N 4.431 120.104 115.700 -0.045 0.000 2.540 468 S HA 0.446 4.920 4.470 0.006 0.000 0.275 468 S C 0.666 175.224 174.600 -0.069 0.000 1.123 468 S CA -0.742 57.430 58.200 -0.046 0.000 0.907 468 S CB 1.918 65.107 63.200 -0.018 0.000 1.081 468 S HN 0.670 nan 8.310 nan 0.000 0.476 469 R N 1.949 122.408 120.500 -0.068 0.000 2.280 469 R HA 0.042 4.386 4.340 0.006 0.000 0.207 469 R C 1.297 177.560 176.300 -0.062 0.000 1.043 469 R CA 1.053 57.105 56.100 -0.080 0.000 1.006 469 R CB -0.532 29.720 30.300 -0.081 0.000 0.885 469 R HN 0.651 nan 8.270 nan 0.000 0.467 470 S N -1.066 114.608 115.700 -0.044 0.000 2.406 470 S HA 0.160 4.634 4.470 0.006 0.000 0.224 470 S C 0.890 175.476 174.600 -0.023 0.000 1.030 470 S CA 0.784 58.965 58.200 -0.032 0.000 0.958 470 S CB 0.572 63.758 63.200 -0.024 0.000 0.811 470 S HN 0.533 nan 8.310 nan 0.000 0.489 471 G N 0.995 109.786 108.800 -0.016 0.000 2.377 471 G HA2 0.457 4.421 3.960 0.006 0.000 0.297 471 G HA3 0.457 4.421 3.960 0.006 0.000 0.297 471 G C -3.612 171.304 174.900 0.026 0.000 1.547 471 G CA -1.070 44.030 45.100 -0.000 0.000 0.833 471 G HN -0.094 nan 8.290 nan 0.000 0.583 472 P HA 0.477 nan 4.420 nan 0.000 0.272 472 P C -0.247 177.093 177.300 0.067 0.000 1.223 472 P CA -0.113 63.048 63.100 0.101 0.000 0.784 472 P CB 1.251 32.998 31.700 0.078 0.000 0.923 473 S N -0.131 115.625 115.700 0.093 0.000 2.704 473 S HA 0.480 4.954 4.470 0.006 0.000 0.305 473 S C -0.363 174.268 174.600 0.053 0.000 1.107 473 S CA -0.610 57.631 58.200 0.069 0.000 0.993 473 S CB 0.996 64.251 63.200 0.091 0.000 1.110 473 S HN 0.309 nan 8.310 nan 0.000 0.534 474 T N 4.048 118.627 114.554 0.043 0.000 2.761 474 T HA 0.289 4.642 4.350 0.006 0.000 0.296 474 T C -2.454 172.320 174.700 0.123 0.000 0.934 474 T CA -0.796 61.328 62.100 0.042 0.000 1.091 474 T CB 0.161 69.041 68.868 0.019 0.000 0.896 474 T HN 0.262 nan 8.240 nan 0.000 0.515 475 P HA -0.048 nan 4.420 nan 0.000 0.256 475 P C 0.940 178.357 177.300 0.195 0.000 1.173 475 P CA 0.152 63.301 63.100 0.082 0.000 0.768 475 P CB 0.207 31.933 31.700 0.044 0.000 0.758 476 H N 1.556 120.788 119.070 0.270 0.000 2.529 476 H HA 0.101 4.660 4.556 0.006 0.000 0.277 476 H C 0.369 175.958 175.328 0.434 0.000 0.999 476 H CA 0.351 56.674 56.048 0.458 0.000 1.256 476 H CB -0.048 29.933 29.762 0.366 0.000 1.402 476 H HN 0.107 nan 8.280 nan 0.000 0.566 477 V N 1.880 121.799 119.914 0.007 0.000 2.769 477 V HA 0.338 4.462 4.120 0.006 0.000 0.312 477 V C -0.328 175.809 176.094 0.071 0.000 1.061 477 V CA -0.922 61.403 62.300 0.043 0.000 0.931 477 V CB 1.910 33.797 31.823 0.107 0.000 1.010 477 V HN 0.463 nan 8.190 nan 0.000 0.433 478 N N 3.237 122.032 118.700 0.159 0.000 4.036 478 N HA 0.223 4.967 4.740 0.006 0.000 0.178 478 N C -1.218 174.445 175.510 0.254 0.000 1.378 478 N CA -0.360 52.790 53.050 0.166 0.000 0.851 478 N CB 0.595 39.142 38.487 0.100 0.000 1.714 478 N HN 0.601 nan 8.380 nan 0.000 0.771 479 F N 0.106 120.056 119.950 -0.000 0.000 3.049 479 F HA 0.680 5.211 4.527 0.006 0.000 0.329 479 F C -1.491 174.323 175.800 0.023 0.000 1.208 479 F CA -1.158 56.838 58.000 -0.008 0.000 0.956 479 F CB 1.304 40.280 39.000 -0.040 0.000 1.469 479 F HN -0.031 nan 8.300 nan 0.000 0.516 480 L N 3.340 124.464 121.223 -0.165 0.000 2.283 480 L HA 0.427 4.771 4.340 0.006 0.000 0.281 480 L C -0.326 176.351 176.870 -0.323 0.000 1.033 480 L CA -0.599 54.087 54.840 -0.256 0.000 0.848 480 L CB 1.211 43.242 42.059 -0.046 0.000 1.226 480 L HN 0.555 nan 8.230 nan 0.000 0.429 481 L N 1.572 122.475 121.223 -0.533 0.000 2.456 481 L HA 0.025 4.369 4.340 0.006 0.000 0.246 481 L C 0.664 177.474 176.870 -0.101 0.000 1.238 481 L CA -0.426 54.275 54.840 -0.231 0.000 0.826 481 L CB 0.352 42.287 42.059 -0.207 0.000 1.150 481 L HN 0.625 nan 8.230 nan 0.000 0.514 482 D N -0.979 119.397 120.400 -0.041 0.000 2.319 482 D HA -0.110 4.533 4.640 0.006 0.000 0.235 482 D C 0.999 177.301 176.300 0.003 0.000 1.304 482 D CA 0.371 54.366 54.000 -0.009 0.000 0.894 482 D CB 0.199 41.001 40.800 0.004 0.000 1.183 482 D HN 0.534 nan 8.370 nan 0.000 0.472 483 S N -2.182 113.529 115.700 0.019 0.000 2.447 483 S HA -0.180 4.294 4.470 0.006 0.000 0.233 483 S C 1.057 175.674 174.600 0.028 0.000 1.006 483 S CA 0.360 58.567 58.200 0.012 0.000 0.957 483 S CB -0.724 62.481 63.200 0.009 0.000 0.773 483 S HN 0.692 nan 8.310 nan 0.000 0.507 484 H N 3.886 122.940 119.070 -0.026 0.000 2.815 484 H HA 0.274 4.834 4.556 0.006 0.000 0.350 484 H C -2.846 172.471 175.328 -0.020 0.000 1.080 484 H CA -1.555 54.482 56.048 -0.018 0.000 1.433 484 H CB 0.502 30.255 29.762 -0.014 0.000 1.432 484 H HN 0.092 nan 8.280 nan 0.000 0.592 485 P HA -0.033 nan 4.420 nan 0.000 0.269 485 P C -0.556 176.829 177.300 0.142 0.000 1.209 485 P CA -0.227 62.834 63.100 -0.066 0.000 0.776 485 P CB 0.667 32.261 31.700 -0.177 0.000 0.876 486 V N 2.144 122.105 119.914 0.079 0.000 2.583 486 V HA 0.221 4.344 4.120 0.006 0.000 0.287 486 V C 0.895 177.048 176.094 0.098 0.000 1.051 486 V CA -0.102 62.257 62.300 0.098 0.000 1.010 486 V CB 0.946 32.805 31.823 0.060 0.000 0.988 486 V HN 0.674 nan 8.190 nan 0.000 0.478 487 S N 5.432 121.201 115.700 0.115 0.000 2.610 487 S HA 0.408 4.882 4.470 0.006 0.000 0.273 487 S C -1.947 172.711 174.600 0.097 0.000 1.274 487 S CA -1.304 56.962 58.200 0.111 0.000 1.023 487 S CB 1.478 64.749 63.200 0.119 0.000 0.962 487 S HN 0.575 nan 8.310 nan 0.000 0.523 488 P HA 0.197 nan 4.420 nan 0.000 0.249 488 P C -0.550 176.832 177.300 0.137 0.000 1.241 488 P CA 0.332 63.493 63.100 0.101 0.000 0.781 488 P CB -0.021 31.738 31.700 0.098 0.000 1.088 489 E N 0.828 121.110 120.200 0.137 0.000 2.130 489 E HA 0.331 4.685 4.350 0.006 0.000 0.284 489 E C 0.059 176.747 176.600 0.145 0.000 1.018 489 E CA -0.481 56.011 56.400 0.154 0.000 0.817 489 E CB 1.640 31.426 29.700 0.144 0.000 1.078 489 E HN -0.041 nan 8.360 nan 0.000 0.396 490 V N 0.248 120.263 119.914 0.167 0.000 3.087 490 V HA 0.618 4.742 4.120 0.006 0.000 0.306 490 V C -0.728 175.467 176.094 0.169 0.000 1.187 490 V CA -1.034 61.354 62.300 0.148 0.000 0.999 490 V CB 2.384 34.279 31.823 0.119 0.000 1.049 490 V HN 0.343 nan 8.190 nan 0.000 0.431 491 I N 2.265 122.913 120.570 0.129 0.000 2.689 491 I HA 0.680 4.853 4.170 0.006 0.000 0.299 491 I C -0.651 175.479 176.117 0.023 0.000 1.059 491 I CA -0.907 60.464 61.300 0.118 0.000 1.055 491 I CB 2.180 40.256 38.000 0.127 0.000 1.243 491 I HN 0.569 nan 8.210 nan 0.000 0.425 492 V N 4.390 124.305 119.914 0.001 0.000 2.380 492 V HA 0.282 4.406 4.120 0.006 0.000 0.272 492 V C -0.106 175.882 176.094 -0.177 0.000 1.011 492 V CA -0.609 61.619 62.300 -0.121 0.000 0.826 492 V CB 1.512 33.317 31.823 -0.029 0.000 1.040 492 V HN 0.599 nan 8.190 nan 0.000 0.441 493 E N 4.213 124.116 120.200 -0.494 0.000 2.014 493 E HA 0.313 4.667 4.350 0.006 0.000 0.275 493 E C -0.821 175.602 176.600 -0.295 0.000 0.997 493 E CA -0.039 56.104 56.400 -0.429 0.000 0.804 493 E CB 0.751 30.084 29.700 -0.612 0.000 1.090 493 E HN 0.764 nan 8.360 nan 0.000 0.401 494 H N 2.013 120.971 119.070 -0.187 0.000 2.782 494 H HA 0.342 4.902 4.556 0.007 0.000 0.347 494 H C -0.954 174.358 175.328 -0.028 0.000 1.038 494 H CA -0.386 55.599 56.048 -0.105 0.000 1.255 494 H CB 1.629 31.339 29.762 -0.086 0.000 1.623 494 H HN 0.500 nan 8.280 nan 0.000 0.525 495 T N 2.664 117.020 114.554 -0.330 0.000 2.883 495 T HA 0.372 4.726 4.350 0.006 0.000 0.296 495 T C 0.102 174.616 174.700 -0.310 0.000 1.117 495 T CA -1.032 60.886 62.100 -0.302 0.000 1.006 495 T CB 1.506 70.314 68.868 -0.100 0.000 1.191 495 T HN 0.572 nan 8.240 nan 0.000 0.508 496 L N 1.024 122.126 121.223 -0.202 0.000 2.516 496 L HA 0.345 4.689 4.340 0.006 0.000 0.288 496 L C 0.409 177.249 176.870 -0.050 0.000 1.246 496 L CA -0.040 54.735 54.840 -0.109 0.000 0.844 496 L CB -0.728 41.294 42.059 -0.062 0.000 1.106 496 L HN 0.914 nan 8.230 nan 0.000 0.509 497 N N -1.397 117.294 118.700 -0.015 0.000 2.815 497 N HA -0.273 4.471 4.740 0.006 0.000 0.247 497 N C -0.350 175.174 175.510 0.025 0.000 1.030 497 N CA 1.712 54.768 53.050 0.009 0.000 0.881 497 N CB -1.167 37.322 38.487 0.005 0.000 1.134 497 N HN 0.934 nan 8.380 nan 0.000 0.582 498 Q N -0.614 119.204 119.800 0.030 0.000 2.501 498 Q HA 0.437 4.781 4.340 0.006 0.000 0.288 498 Q C -0.886 175.216 176.000 0.169 0.000 1.051 498 Q CA -0.680 55.169 55.803 0.076 0.000 0.788 498 Q CB 1.112 29.888 28.738 0.063 0.000 1.469 498 Q HN 0.189 nan 8.270 nan 0.000 0.416 499 N N 0.350 119.178 118.700 0.213 0.000 2.170 499 N HA 0.179 4.923 4.740 0.006 0.000 0.222 499 N C 0.127 175.721 175.510 0.139 0.000 1.218 499 N CA 0.570 53.756 53.050 0.227 0.000 0.889 499 N CB 1.358 39.914 38.487 0.116 0.000 1.083 499 N HN 0.850 nan 8.380 nan 0.000 0.520 500 G N 1.893 110.861 108.800 0.279 0.000 2.801 500 G HA2 -0.281 3.683 3.960 0.006 0.000 0.244 500 G HA3 -0.281 3.683 3.960 0.006 0.000 0.244 500 G C -0.836 174.099 174.900 0.058 0.000 1.385 500 G CA 0.314 45.492 45.100 0.130 0.000 0.894 500 G HN 0.426 nan 8.290 nan 0.000 0.562 501 Y N -4.386 115.837 120.300 -0.129 0.000 2.774 501 Y HA 0.706 5.260 4.550 0.007 0.000 0.346 501 Y C -0.195 175.613 175.900 -0.154 0.000 1.222 501 Y CA -0.740 57.267 58.100 -0.154 0.000 1.088 501 Y CB 0.465 38.870 38.460 -0.091 0.000 1.354 501 Y HN 1.167 nan 8.280 nan 0.000 0.455 502 T N 1.994 116.568 114.554 0.034 0.000 2.848 502 T HA 0.633 4.987 4.350 0.006 0.000 0.285 502 T C -0.921 173.838 174.700 0.099 0.000 0.995 502 T CA -0.672 61.423 62.100 -0.008 0.000 0.970 502 T CB 1.496 70.346 68.868 -0.029 0.000 0.976 502 T HN 0.732 nan 8.240 nan 0.000 0.441 503 L N 2.947 124.251 121.223 0.135 0.000 2.290 503 L HA 0.669 5.013 4.340 0.006 0.000 0.284 503 L C -0.479 176.429 176.870 0.064 0.000 1.078 503 L CA -0.816 54.091 54.840 0.112 0.000 0.815 503 L CB 0.964 43.116 42.059 0.156 0.000 1.162 503 L HN 0.406 nan 8.230 nan 0.000 0.435 504 V N 4.789 124.715 119.914 0.021 0.000 2.735 504 V HA 0.480 4.604 4.120 0.006 0.000 0.310 504 V C -0.174 175.939 176.094 0.030 0.000 1.061 504 V CA -0.480 61.840 62.300 0.033 0.000 0.913 504 V CB 2.496 34.320 31.823 0.002 0.000 1.005 504 V HN 0.489 nan 8.190 nan 0.000 0.428 505 I N 3.475 124.077 120.570 0.053 0.000 2.378 505 I HA 0.530 4.704 4.170 0.006 0.000 0.291 505 I C -0.090 176.044 176.117 0.028 0.000 0.992 505 I CA -0.116 61.206 61.300 0.038 0.000 1.154 505 I CB 2.096 40.132 38.000 0.060 0.000 1.315 505 I HN 0.753 nan 8.210 nan 0.000 0.448 506 T N 2.385 116.927 114.554 -0.020 0.000 3.068 506 T HA 0.673 5.027 4.350 0.006 0.000 0.364 506 T C 0.424 174.967 174.700 -0.262 0.000 1.161 506 T CA -0.224 61.861 62.100 -0.025 0.000 1.155 506 T CB 1.110 69.993 68.868 0.024 0.000 1.060 506 T HN 1.083 nan 8.240 nan 0.000 0.513 507 G N 3.825 112.262 108.800 -0.605 0.000 2.588 507 G HA2 -0.304 3.660 3.960 0.006 0.000 0.273 507 G HA3 -0.304 3.660 3.960 0.006 0.000 0.273 507 G C 0.706 175.403 174.900 -0.337 0.000 1.211 507 G CA 0.105 44.654 45.100 -0.918 0.000 0.958 507 G HN 0.657 nan 8.290 nan 0.000 0.543 508 K N 1.021 121.273 120.400 -0.246 0.000 2.444 508 K HA 0.171 4.495 4.320 0.006 0.000 0.193 508 K C 1.016 177.523 176.600 -0.154 0.000 1.024 508 K CA 0.261 56.456 56.287 -0.154 0.000 1.077 508 K CB 0.409 32.822 32.500 -0.145 0.000 0.833 508 K HN 0.324 nan 8.250 nan 0.000 0.517 509 K N 1.673 121.987 120.400 -0.144 0.000 2.156 509 K HA 0.376 4.700 4.320 0.006 0.000 0.254 509 K C -1.299 175.275 176.600 -0.042 0.000 0.950 509 K CA -0.553 55.669 56.287 -0.108 0.000 0.849 509 K CB 1.344 33.781 32.500 -0.104 0.000 1.100 509 K HN -0.024 nan 8.250 nan 0.000 0.434 510 I N 1.823 122.395 120.570 0.003 0.000 2.499 510 I HA 0.301 4.475 4.170 0.006 0.000 0.288 510 I C -1.275 174.854 176.117 0.021 0.000 1.048 510 I CA -0.199 61.121 61.300 0.033 0.000 1.062 510 I CB 2.199 40.247 38.000 0.081 0.000 1.238 510 I HN 0.488 nan 8.210 nan 0.000 0.426 511 T N 6.177 120.725 114.554 -0.010 0.000 2.863 511 T HA 0.338 4.692 4.350 0.006 0.000 0.285 511 T C -0.764 173.903 174.700 -0.054 0.000 1.009 511 T CA -0.684 61.393 62.100 -0.039 0.000 0.989 511 T CB 1.623 70.454 68.868 -0.061 0.000 1.004 511 T HN 0.490 nan 8.240 nan 0.000 0.455 512 K N 3.326 123.684 120.400 -0.069 0.000 2.253 512 K HA 0.542 4.866 4.320 0.006 0.000 0.277 512 K C -1.011 175.531 176.600 -0.096 0.000 1.053 512 K CA -0.487 55.755 56.287 -0.074 0.000 0.892 512 K CB 0.323 32.716 32.500 -0.178 0.000 1.102 512 K HN 0.543 nan 8.250 nan 0.000 0.469 513 I N 6.822 127.334 120.570 -0.097 0.000 2.406 513 I HA 0.326 4.500 4.170 0.006 0.000 0.290 513 I C -2.218 173.863 176.117 -0.061 0.000 0.999 513 I CA -2.913 58.292 61.300 -0.159 0.000 1.124 513 I CB 1.925 39.663 38.000 -0.437 0.000 1.289 513 I HN 0.480 nan 8.210 nan 0.000 0.441 514 P HA 0.148 nan 4.420 nan 0.000 0.272 514 P C 0.386 177.667 177.300 -0.032 0.000 1.223 514 P CA -0.221 62.880 63.100 0.002 0.000 0.784 514 P CB 0.784 32.496 31.700 0.021 0.000 0.923 515 L N 1.377 122.525 121.223 -0.126 0.000 2.612 515 L HA 0.096 4.440 4.340 0.006 0.000 0.230 515 L C 0.605 177.485 176.870 0.017 0.000 1.140 515 L CA 0.649 55.300 54.840 -0.315 0.000 0.896 515 L CB -0.552 41.062 42.059 -0.740 0.000 1.065 515 L HN 0.326 nan 8.230 nan 0.000 0.447 516 N N 0.131 118.931 118.700 0.166 0.000 2.238 516 N HA 0.228 4.971 4.740 0.006 0.000 0.222 516 N C 0.828 176.625 175.510 0.478 0.000 1.133 516 N CA 0.601 53.909 53.050 0.430 0.000 0.854 516 N CB 0.858 39.538 38.487 0.322 0.000 1.041 516 N HN 0.258 nan 8.380 nan 0.000 0.510 517 G N 0.601 109.641 108.800 0.399 0.000 2.598 517 G HA2 -0.229 3.735 3.960 0.006 0.000 0.244 517 G HA3 -0.229 3.735 3.960 0.006 0.000 0.244 517 G C -0.868 174.131 174.900 0.164 0.000 1.302 517 G CA -0.442 44.859 45.100 0.334 0.000 0.903 517 G HN 0.142 nan 8.290 nan 0.000 0.575 518 L N 2.003 123.285 121.223 0.099 0.000 2.551 518 L HA 0.590 4.934 4.340 0.006 0.000 0.248 518 L C 1.271 178.163 176.870 0.037 0.000 1.509 518 L CA 1.006 55.838 54.840 -0.015 0.000 0.842 518 L CB -0.780 41.159 42.059 -0.200 0.000 1.087 518 L HN 2.592 nan 8.230 nan 0.000 0.512 519 G N 0.442 109.309 108.800 0.112 0.000 2.796 519 G HA2 -0.253 3.711 3.960 0.006 0.000 0.226 519 G HA3 -0.253 3.711 3.960 0.006 0.000 0.226 519 G C 0.597 175.607 174.900 0.184 0.000 1.381 519 G CA -0.199 44.976 45.100 0.126 0.000 0.867 519 G HN 0.423 nan 8.290 nan 0.000 0.552 520 c N -0.264 118.422 118.600 0.142 0.000 3.188 520 c HA 0.286 4.860 4.570 0.006 0.000 0.315 520 c C 2.451 176.526 174.090 -0.024 0.000 1.285 520 c CA 0.240 56.652 56.329 0.138 0.000 1.729 520 c CB -0.418 42.246 42.510 0.256 0.000 2.257 520 c HN 0.700 nan 8.230 nan 0.000 0.645 521 R N 2.086 122.603 120.500 0.029 0.000 2.261 521 R HA -0.129 4.215 4.340 0.006 0.000 0.236 521 R C 1.642 177.927 176.300 -0.025 0.000 1.141 521 R CA 1.185 57.295 56.100 0.017 0.000 1.001 521 R CB -0.838 29.477 30.300 0.025 0.000 0.866 521 R HN 0.805 nan 8.270 nan 0.000 0.468 522 H N -2.361 116.576 119.070 -0.222 0.000 2.551 522 H HA 0.157 4.717 4.556 0.006 0.000 0.271 522 H C -0.009 175.173 175.328 -0.243 0.000 0.984 522 H CA -0.472 55.422 56.048 -0.257 0.000 1.164 522 H CB -0.389 29.176 29.762 -0.327 0.000 1.437 522 H HN -0.032 nan 8.280 nan 0.000 0.550 523 F N 2.579 122.375 119.950 -0.258 0.000 2.427 523 F HA 0.155 4.686 4.527 0.006 0.000 0.352 523 F C 1.601 177.401 175.800 0.001 0.000 1.100 523 F CA -0.486 57.423 58.000 -0.152 0.000 1.191 523 F CB 1.500 40.394 39.000 -0.177 0.000 1.128 523 F HN 0.025 nan 8.300 nan 0.000 0.533 524 Q N 1.371 121.278 119.800 0.178 0.000 2.245 524 Q HA 0.006 4.350 4.340 0.006 0.000 0.201 524 Q C 0.507 176.534 176.000 0.045 0.000 0.955 524 Q CA 0.805 56.667 55.803 0.097 0.000 0.870 524 Q CB 0.192 28.965 28.738 0.059 0.000 0.945 524 Q HN 0.700 nan 8.270 nan 0.000 0.461 525 S N -2.289 113.342 115.700 -0.116 0.000 2.656 525 S HA 0.165 4.639 4.470 0.006 0.000 0.273 525 S C 0.461 174.419 174.600 -1.070 0.000 1.168 525 S CA -0.755 57.151 58.200 -0.491 0.000 0.817 525 S CB 0.979 63.950 63.200 -0.382 0.000 1.146 525 S HN 0.225 nan 8.310 nan 0.000 0.475 526 c N 1.157 118.717 118.600 -1.734 0.000 2.403 526 c HA -0.023 4.550 4.570 0.006 0.000 0.279 526 c C 2.703 176.233 174.090 -0.933 0.000 1.269 526 c CA 1.960 57.171 56.329 -1.864 0.000 1.774 526 c CB -1.783 39.789 42.510 -1.563 0.000 1.993 526 c HN 0.854 nan 8.230 nan 0.000 0.496 527 S N -0.105 115.115 115.700 -0.801 0.000 2.348 527 S HA -0.138 4.336 4.470 0.006 0.000 0.219 527 S C 1.767 175.923 174.600 -0.740 0.000 1.033 527 S CA 1.338 58.992 58.200 -0.911 0.000 0.974 527 S CB -0.359 62.292 63.200 -0.915 0.000 0.868 527 S HN 0.752 nan 8.310 nan 0.000 0.459 528 Q N 0.122 119.592 119.800 -0.550 0.000 2.096 528 Q HA -0.157 4.187 4.340 0.006 0.000 0.204 528 Q C 2.500 178.035 176.000 -0.775 0.000 0.982 528 Q CA 1.480 56.996 55.803 -0.479 0.000 0.850 528 Q CB -0.603 28.008 28.738 -0.213 0.000 0.901 528 Q HN 0.619 nan 8.270 nan 0.000 0.422 529 c N 0.475 118.702 118.600 -0.622 0.000 2.413 529 c HA -0.091 4.483 4.570 0.006 0.000 0.277 529 c C 2.129 175.935 174.090 -0.473 0.000 1.265 529 c CA 0.646 56.649 56.329 -0.544 0.000 1.752 529 c CB -0.775 41.703 42.510 -0.054 0.000 1.998 529 c HN 0.495 nan 8.230 nan 0.000 0.489 530 L N 0.161 121.165 121.223 -0.364 0.000 2.592 530 L HA 0.084 4.427 4.340 0.006 0.000 0.227 530 L C 2.364 179.202 176.870 -0.053 0.000 1.127 530 L CA 0.410 55.155 54.840 -0.159 0.000 0.884 530 L CB -0.335 41.727 42.059 0.005 0.000 1.065 530 L HN 0.284 nan 8.230 nan 0.000 0.457 531 S N 0.096 115.668 115.700 -0.212 0.000 2.496 531 S HA 0.167 4.640 4.470 0.006 0.000 0.224 531 S C 1.184 175.664 174.600 -0.201 0.000 0.996 531 S CA 0.091 58.224 58.200 -0.113 0.000 0.927 531 S CB 0.056 63.155 63.200 -0.168 0.000 0.774 531 S HN 0.394 nan 8.310 nan 0.000 0.524 532 A N 2.874 125.473 122.820 -0.369 0.000 2.520 532 A HA 0.345 4.669 4.320 0.006 0.000 0.235 532 A C -2.451 174.951 177.584 -0.304 0.000 1.065 532 A CA -0.872 50.966 52.037 -0.331 0.000 0.764 532 A CB -0.412 18.381 19.000 -0.346 0.000 1.002 532 A HN 0.128 nan 8.150 nan 0.000 0.502 533 P HA 0.136 nan 4.420 nan 0.000 0.267 533 P C -1.899 175.093 177.300 -0.514 0.000 1.205 533 P CA -0.963 61.857 63.100 -0.466 0.000 0.765 533 P CB 0.165 31.435 31.700 -0.716 0.000 0.828 534 P HA -0.249 nan 4.420 nan 0.000 0.219 534 P C 1.066 178.314 177.300 -0.087 0.000 1.158 534 P CA 1.600 64.642 63.100 -0.098 0.000 0.895 534 P CB -0.597 31.116 31.700 0.021 0.000 0.792 535 F N -2.440 117.521 119.950 0.017 0.000 2.722 535 F HA 0.012 4.544 4.527 0.007 0.000 0.298 535 F C 1.276 177.120 175.800 0.072 0.000 1.175 535 F CA 0.347 58.377 58.000 0.051 0.000 1.462 535 F CB -1.591 37.443 39.000 0.057 0.000 1.111 535 F HN -0.240 nan 8.300 nan 0.000 0.592 536 V N 0.232 119.872 119.914 -0.456 0.000 3.052 536 V HA -0.070 4.054 4.120 0.006 0.000 0.254 536 V C 1.139 177.248 176.094 0.026 0.000 1.100 536 V CA 0.758 62.951 62.300 -0.177 0.000 1.112 536 V CB -0.956 30.730 31.823 -0.228 0.000 0.738 536 V HN 0.547 nan 8.190 nan 0.000 0.469 537 Q N -1.341 118.479 119.800 0.034 0.000 2.481 537 Q HA -0.209 4.135 4.340 0.006 0.000 0.283 537 Q C -0.012 176.155 176.000 0.278 0.000 1.292 537 Q CA 0.487 56.387 55.803 0.160 0.000 0.819 537 Q CB -2.413 26.423 28.738 0.164 0.000 1.202 537 Q HN 0.688 nan 8.270 nan 0.000 0.446 538 c N -0.265 118.456 118.600 0.201 0.000 2.364 538 c HA 0.881 5.455 4.570 0.006 0.000 0.356 538 c C 1.283 175.483 174.090 0.183 0.000 1.201 538 c CA 0.090 56.582 56.329 0.271 0.000 2.227 538 c CB 1.238 43.859 42.510 0.185 0.000 2.387 538 c HN 0.608 nan 8.230 nan 0.000 0.546 539 G N 0.010 108.980 108.800 0.284 0.000 2.694 539 G HA2 0.589 4.553 3.960 0.006 0.000 0.290 539 G HA3 0.589 4.553 3.960 0.006 0.000 0.290 539 G C -1.822 173.098 174.900 0.033 0.000 1.386 539 G CA -0.369 44.473 45.100 -0.430 0.000 0.872 539 G HN 0.827 nan 8.290 nan 0.000 0.475 540 W N 0.095 121.196 121.300 -0.333 0.000 2.469 540 W HA 0.497 5.160 4.660 0.006 0.000 0.320 540 W C -0.932 175.596 176.519 0.016 0.000 1.086 540 W CA -0.766 56.516 57.345 -0.105 0.000 1.211 540 W CB 1.938 31.319 29.460 -0.132 0.000 1.298 540 W HN 0.464 nan 8.180 nan 0.000 0.525 541 c N 6.587 124.946 118.600 -0.402 0.000 3.276 541 c HA 0.183 4.757 4.570 0.006 0.000 0.226 541 c C 0.904 174.800 174.090 -0.322 0.000 1.502 541 c CA 0.080 56.295 56.329 -0.189 0.000 1.488 541 c CB -2.057 40.428 42.510 -0.041 0.000 2.014 541 c HN 1.044 nan 8.230 nan 0.000 0.492 542 H N 1.678 120.476 119.070 -0.452 0.000 4.884 542 H HA -0.247 4.313 4.556 0.006 0.000 0.061 542 H C 0.782 175.896 175.328 -0.357 0.000 0.590 542 H CA 2.925 58.815 56.048 -0.263 0.000 0.961 542 H CB -0.975 28.706 29.762 -0.136 0.000 0.443 542 H HN 0.520 nan 8.280 nan 0.000 0.794 543 D N 1.066 120.974 120.400 -0.819 0.000 2.500 543 D HA 0.256 4.900 4.640 0.006 0.000 0.217 543 D C -0.025 175.858 176.300 -0.696 0.000 1.159 543 D CA 0.094 53.658 54.000 -0.728 0.000 0.828 543 D CB 0.707 41.201 40.800 -0.510 0.000 1.039 543 D HN 0.576 nan 8.370 nan 0.000 0.512 544 K N -0.432 119.363 120.400 -1.009 0.000 2.508 544 K HA 0.476 4.800 4.320 0.006 0.000 0.260 544 K C -1.485 174.533 176.600 -0.971 0.000 0.949 544 K CA -0.837 54.983 56.287 -0.779 0.000 0.834 544 K CB 2.770 35.065 32.500 -0.341 0.000 1.365 544 K HN 0.020 nan 8.250 nan 0.000 0.437 545 c N 2.221 120.641 118.600 -0.299 0.000 2.330 545 c HA 0.814 5.388 4.570 0.006 0.000 0.344 545 c C -0.044 174.127 174.090 0.136 0.000 1.273 545 c CA -0.025 56.406 56.329 0.170 0.000 1.879 545 c CB -0.125 42.717 42.510 0.553 0.000 2.376 545 c HN 0.626 nan 8.230 nan 0.000 0.534 546 V N 5.566 125.606 119.914 0.210 0.000 3.221 546 V HA 0.539 4.663 4.120 0.006 0.000 0.299 546 V C -0.661 175.612 176.094 0.299 0.000 1.594 546 V CA -0.764 61.645 62.300 0.182 0.000 1.036 546 V CB 1.941 33.803 31.823 0.064 0.000 1.107 546 V HN 1.001 nan 8.190 nan 0.000 0.476 547 R N 0.134 120.717 120.500 0.138 0.000 2.649 547 R HA 0.416 4.760 4.340 0.006 0.000 0.270 547 R C 1.455 177.555 176.300 -0.333 0.000 1.105 547 R CA 0.792 56.927 56.100 0.058 0.000 1.193 547 R CB 1.147 31.439 30.300 -0.014 0.000 1.120 547 R HN 0.878 nan 8.270 nan 0.000 0.561 548 S N 0.505 115.769 115.700 -0.726 0.000 2.380 548 S HA -0.174 4.300 4.470 0.006 0.000 0.217 548 S C 1.474 175.538 174.600 -0.892 0.000 1.036 548 S CA 1.723 58.930 58.200 -1.656 0.000 1.050 548 S CB -0.314 62.123 63.200 -1.272 0.000 1.016 548 S HN 0.771 nan 8.310 nan 0.000 0.419 549 E N 0.885 120.789 120.200 -0.494 0.000 2.510 549 E HA -0.103 4.251 4.350 0.006 0.000 0.202 549 E C 0.884 177.343 176.600 -0.235 0.000 1.072 549 E CA 0.869 57.088 56.400 -0.303 0.000 0.883 549 E CB -0.448 29.136 29.700 -0.193 0.000 0.818 549 E HN 0.723 nan 8.360 nan 0.000 0.548 550 E N -0.020 120.027 120.200 -0.254 0.000 2.423 550 E HA 0.125 4.479 4.350 0.006 0.000 0.198 550 E C -0.958 175.550 176.600 -0.153 0.000 1.038 550 E CA -0.333 55.970 56.400 -0.162 0.000 1.011 550 E CB 0.178 29.808 29.700 -0.116 0.000 1.118 550 E HN 0.172 nan 8.360 nan 0.000 0.451 551 c N 0.697 119.181 118.600 -0.193 0.000 2.369 551 c HA 0.350 4.924 4.570 0.006 0.000 0.358 551 c C 1.541 175.587 174.090 -0.073 0.000 1.274 551 c CA -0.695 55.559 56.329 -0.126 0.000 1.935 551 c CB -0.582 41.839 42.510 -0.148 0.000 2.431 551 c HN 0.523 nan 8.230 nan 0.000 0.545 552 L N 4.377 125.571 121.223 -0.047 0.000 1.913 552 L HA 0.083 4.427 4.340 0.006 0.000 0.215 552 L C 1.563 178.414 176.870 -0.031 0.000 1.117 552 L CA 0.715 55.531 54.840 -0.041 0.000 0.798 552 L CB -1.177 40.860 42.059 -0.038 0.000 0.893 552 L HN 0.777 nan 8.230 nan 0.000 0.440 553 S N 0.457 116.142 115.700 -0.025 0.000 2.562 553 S HA 0.209 4.683 4.470 0.006 0.000 0.281 553 S C 0.529 175.133 174.600 0.006 0.000 1.333 553 S CA -0.379 57.808 58.200 -0.022 0.000 1.052 553 S CB 0.786 63.960 63.200 -0.044 0.000 0.884 553 S HN 0.416 nan 8.310 nan 0.000 0.506 554 G N 0.839 109.644 108.800 0.007 0.000 2.843 554 G HA2 0.360 4.324 3.960 0.006 0.000 0.275 554 G HA3 0.360 4.324 3.960 0.006 0.000 0.275 554 G C 0.327 175.262 174.900 0.058 0.000 0.709 554 G CA -0.196 44.924 45.100 0.033 0.000 2.089 554 G HN 0.884 nan 8.290 nan 0.000 0.571 555 T N 1.172 115.784 114.554 0.096 0.000 3.641 555 T HA 0.091 4.445 4.350 0.006 0.000 0.313 555 T C -0.343 174.457 174.700 0.166 0.000 0.952 555 T CA -0.771 61.390 62.100 0.102 0.000 1.004 555 T CB -0.509 68.397 68.868 0.064 0.000 1.209 555 T HN 0.414 nan 8.240 nan 0.000 0.493 556 W N 2.606 123.907 121.300 0.001 0.000 2.251 556 W HA 0.525 5.188 4.660 0.006 0.000 0.327 556 W C 0.184 176.724 176.519 0.035 0.000 1.361 556 W CA 0.482 57.836 57.345 0.015 0.000 1.234 556 W CB 0.694 30.156 29.460 0.003 0.000 1.212 556 W HN 0.176 nan 8.180 nan 0.000 0.557 557 T N 5.103 119.435 114.554 -0.369 0.000 2.933 557 T HA 0.263 4.617 4.350 0.006 0.000 0.305 557 T C -0.119 174.232 174.700 -0.582 0.000 1.092 557 T CA -0.503 61.381 62.100 -0.361 0.000 1.008 557 T CB 1.626 70.415 68.868 -0.132 0.000 1.102 557 T HN 0.568 nan 8.240 nan 0.000 0.469 558 Q N 1.532 121.037 119.800 -0.492 0.000 2.159 558 Q HA 0.266 4.609 4.340 0.006 0.000 0.217 558 Q C 1.016 176.870 176.000 -0.244 0.000 0.818 558 Q CA -0.029 55.529 55.803 -0.409 0.000 1.008 558 Q CB 0.805 29.289 28.738 -0.424 0.000 1.148 558 Q HN 0.689 nan 8.270 nan 0.000 0.491 559 Q N -0.651 119.022 119.800 -0.211 0.000 2.215 559 Q HA 0.214 4.558 4.340 0.006 0.000 0.257 559 Q C -0.007 175.905 176.000 -0.146 0.000 0.792 559 Q CA 0.082 55.772 55.803 -0.188 0.000 0.958 559 Q CB 1.831 30.457 28.738 -0.188 0.000 1.158 559 Q HN 0.108 nan 8.270 nan 0.000 0.490 560 I N 1.091 121.572 120.570 -0.147 0.000 2.406 560 I HA 0.346 4.520 4.170 0.006 0.000 0.290 560 I C -0.591 175.535 176.117 0.015 0.000 0.999 560 I CA -0.918 60.286 61.300 -0.160 0.000 1.124 560 I CB 1.438 39.292 38.000 -0.243 0.000 1.289 560 I HN 0.063 nan 8.210 nan 0.000 0.441 561 c N 6.826 125.545 118.600 0.198 0.000 2.609 561 c HA 0.630 5.204 4.570 0.006 0.000 0.313 561 c C -0.001 174.171 174.090 0.137 0.000 1.175 561 c CA -0.656 55.715 56.329 0.071 0.000 1.434 561 c CB 1.943 44.438 42.510 -0.025 0.000 2.005 561 c HN 0.601 nan 8.230 nan 0.000 0.471 562 L N 4.303 125.569 121.223 0.073 0.000 2.331 562 L HA 0.542 4.886 4.340 0.006 0.000 0.275 562 L C -2.185 174.734 176.870 0.083 0.000 1.022 562 L CA -1.585 53.320 54.840 0.109 0.000 0.812 562 L CB 1.642 43.766 42.059 0.109 0.000 1.257 562 L HN 0.370 nan 8.230 nan 0.000 0.435 563 P HA 0.381 nan 4.420 nan 0.000 0.274 563 P C -1.383 176.013 177.300 0.160 0.000 1.246 563 P CA -0.453 62.745 63.100 0.163 0.000 0.795 563 P CB 0.959 32.831 31.700 0.286 0.000 1.006 564 A N 1.465 124.394 122.820 0.182 0.000 2.480 564 A HA 0.548 4.872 4.320 0.006 0.000 0.289 564 A C -0.766 177.021 177.584 0.339 0.000 1.044 564 A CA -0.514 51.679 52.037 0.260 0.000 0.761 564 A CB 0.457 19.599 19.000 0.236 0.000 1.289 564 A HN 0.375 nan 8.150 nan 0.000 0.401 565 I N 1.481 122.241 120.570 0.316 0.000 2.577 565 I HA 0.334 4.507 4.170 0.006 0.000 0.300 565 I C 0.400 176.645 176.117 0.214 0.000 0.990 565 I CA -0.230 61.195 61.300 0.208 0.000 1.283 565 I CB 1.403 39.400 38.000 -0.005 0.000 1.411 565 I HN 0.866 nan 8.210 nan 0.000 0.515 566 Y N 3.908 124.132 120.300 -0.126 0.000 2.666 566 Y HA 0.357 4.911 4.550 0.006 0.000 0.260 566 Y C -0.257 175.548 175.900 -0.159 0.000 1.089 566 Y CA -0.318 57.744 58.100 -0.064 0.000 1.246 566 Y CB 0.474 38.847 38.460 -0.145 0.000 1.353 566 Y HN 0.614 nan 8.280 nan 0.000 0.558 567 K N -0.659 119.442 120.400 -0.497 0.000 3.342 567 K HA 0.567 4.891 4.320 0.006 0.000 0.345 567 K C -2.355 173.854 176.600 -0.650 0.000 1.095 567 K CA -0.001 55.929 56.287 -0.595 0.000 0.829 567 K CB 0.370 32.509 32.500 -0.601 0.000 1.471 567 K HN -0.208 nan 8.250 nan 0.000 0.428 568 V N 1.357 120.884 119.914 -0.645 0.000 3.012 568 V HA 0.691 4.815 4.120 0.006 0.000 0.307 568 V C -1.449 174.238 176.094 -0.678 0.000 1.166 568 V CA -0.760 61.263 62.300 -0.461 0.000 0.974 568 V CB 1.916 33.642 31.823 -0.162 0.000 1.040 568 V HN 0.585 nan 8.190 nan 0.000 0.428 569 F N 3.458 123.398 119.950 -0.017 0.000 2.536 569 F HA 0.707 5.238 4.527 0.006 0.000 0.322 569 F C -2.536 173.275 175.800 0.018 0.000 1.144 569 F CA -1.976 56.028 58.000 0.007 0.000 0.924 569 F CB 2.254 41.246 39.000 -0.014 0.000 1.181 569 F HN 0.293 nan 8.300 nan 0.000 0.438 570 P HA 0.386 nan 4.420 nan 0.000 0.287 570 P C 0.006 177.386 177.300 0.133 0.000 1.296 570 P CA -0.502 62.707 63.100 0.181 0.000 0.811 570 P CB 1.116 32.903 31.700 0.145 0.000 1.211 571 N N -0.697 118.042 118.700 0.065 0.000 2.006 571 N HA -0.092 4.652 4.740 0.006 0.000 0.196 571 N C 1.010 176.505 175.510 -0.024 0.000 1.057 571 N CA 1.585 54.657 53.050 0.036 0.000 0.853 571 N CB -1.066 37.409 38.487 -0.020 0.000 1.051 571 N HN 0.583 nan 8.380 nan 0.000 0.423 572 S N -0.839 114.782 115.700 -0.132 0.000 2.719 572 S HA 0.805 5.279 4.470 0.006 0.000 0.285 572 S C -0.480 173.946 174.600 -0.291 0.000 1.137 572 S CA -0.310 57.670 58.200 -0.368 0.000 1.012 572 S CB 2.104 65.166 63.200 -0.228 0.000 1.134 572 S HN 0.459 nan 8.310 nan 0.000 0.544 573 A N 0.427 123.023 122.820 -0.373 0.000 2.573 573 A HA 0.686 5.010 4.320 0.006 0.000 0.299 573 A C -3.362 174.254 177.584 0.052 0.000 1.060 573 A CA -1.294 50.688 52.037 -0.091 0.000 0.736 573 A CB 0.487 19.546 19.000 0.098 0.000 1.280 573 A HN 0.580 nan 8.150 nan 0.000 0.401 574 P HA 0.223 nan 4.420 nan 0.000 0.269 574 P C 1.159 178.626 177.300 0.277 0.000 1.217 574 P CA -0.277 62.921 63.100 0.164 0.000 0.783 574 P CB 0.491 32.255 31.700 0.106 0.000 0.898 575 L N 0.967 122.280 121.223 0.150 0.000 1.941 575 L HA -0.248 4.096 4.340 0.006 0.000 0.224 575 L C 1.966 178.779 176.870 -0.095 0.000 1.081 575 L CA 1.908 56.747 54.840 -0.001 0.000 0.784 575 L CB -0.896 41.146 42.059 -0.029 0.000 0.894 575 L HN 0.364 nan 8.230 nan 0.000 0.436 576 E N 0.186 120.373 120.200 -0.022 0.000 2.371 576 E HA 0.042 4.396 4.350 0.006 0.000 0.194 576 E C 0.904 177.534 176.600 0.050 0.000 1.012 576 E CA 0.201 56.589 56.400 -0.020 0.000 0.860 576 E CB -0.323 29.370 29.700 -0.011 0.000 0.811 576 E HN 0.383 nan 8.360 nan 0.000 0.502 577 G N 0.715 109.581 108.800 0.109 0.000 2.255 577 G HA2 0.206 4.170 3.960 0.006 0.000 0.267 577 G HA3 0.206 4.170 3.960 0.006 0.000 0.267 577 G C 0.553 175.550 174.900 0.162 0.000 1.177 577 G CA 0.132 45.309 45.100 0.128 0.000 1.027 577 G HN 0.198 nan 8.290 nan 0.000 0.437 578 G N 2.964 111.826 108.800 0.103 0.000 3.008 578 G HA2 0.386 4.350 3.960 0.006 0.000 0.272 578 G HA3 0.386 4.350 3.960 0.006 0.000 0.272 578 G C 0.888 175.832 174.900 0.073 0.000 0.764 578 G CA 0.219 45.371 45.100 0.088 0.000 2.029 578 G HN 0.908 nan 8.290 nan 0.000 0.587 579 T N -1.151 113.463 114.554 0.100 0.000 2.868 579 T HA 0.461 4.815 4.350 0.006 0.000 0.292 579 T C 0.455 175.177 174.700 0.038 0.000 1.028 579 T CA -0.682 61.464 62.100 0.076 0.000 1.059 579 T CB 1.591 70.524 68.868 0.109 0.000 0.991 579 T HN 0.276 nan 8.240 nan 0.000 0.531 580 R N 1.161 121.676 120.500 0.024 0.000 2.298 580 R HA 0.483 4.827 4.340 0.006 0.000 0.310 580 R C -0.350 175.946 176.300 -0.006 0.000 1.068 580 R CA -0.307 55.792 56.100 -0.003 0.000 0.957 580 R CB 0.354 30.652 30.300 -0.003 0.000 1.003 580 R HN 0.589 nan 8.270 nan 0.000 0.454 581 L N 2.494 123.682 121.223 -0.058 0.000 2.289 581 L HA 0.382 4.725 4.340 0.006 0.000 0.285 581 L C -0.252 176.587 176.870 -0.051 0.000 1.049 581 L CA -0.321 54.472 54.840 -0.079 0.000 0.804 581 L CB 1.834 43.763 42.059 -0.216 0.000 1.195 581 L HN 0.646 nan 8.230 nan 0.000 0.428 582 T N 4.707 119.274 114.554 0.022 0.000 2.821 582 T HA 0.489 4.843 4.350 0.006 0.000 0.307 582 T C -0.007 174.716 174.700 0.038 0.000 1.034 582 T CA -0.239 61.893 62.100 0.054 0.000 0.953 582 T CB 0.488 69.442 68.868 0.142 0.000 0.968 582 T HN 0.274 nan 8.240 nan 0.000 0.462 583 I N 2.811 123.340 120.570 -0.068 0.000 2.307 583 I HA 0.264 4.437 4.170 0.006 0.000 0.287 583 I C 0.183 176.295 176.117 -0.009 0.000 1.054 583 I CA -0.583 60.635 61.300 -0.137 0.000 1.218 583 I CB 0.483 38.301 38.000 -0.303 0.000 1.398 583 I HN 0.540 nan 8.210 nan 0.000 0.475 584 C N 5.366 124.680 119.300 0.024 0.000 2.435 584 C HA 0.831 5.295 4.460 0.006 0.000 0.375 584 C C 1.054 176.038 174.990 -0.010 0.000 1.281 584 C CA 0.290 59.338 59.018 0.050 0.000 1.963 584 C CB -0.187 27.606 27.740 0.089 0.000 2.490 584 C HN 1.055 nan 8.230 nan 0.000 0.557 585 G N 2.670 111.339 108.800 -0.217 0.000 2.485 585 G HA2 0.385 4.349 3.960 0.006 0.000 0.182 585 G HA3 0.385 4.349 3.960 0.006 0.000 0.182 585 G C -1.777 172.378 174.900 -1.242 0.000 1.172 585 G CA -0.317 44.370 45.100 -0.689 0.000 0.996 585 G HN 0.596 nan 8.290 nan 0.000 0.496 586 W N 0.030 120.776 121.300 -0.923 0.000 3.029 586 W HA 0.424 5.088 4.660 0.006 0.000 0.339 586 W C -0.522 175.445 176.519 -0.921 0.000 1.198 586 W CA -0.031 56.856 57.345 -0.763 0.000 1.148 586 W CB 1.296 30.501 29.460 -0.425 0.000 1.451 586 W HN 0.597 nan 8.180 nan 0.000 0.564 587 D N 1.085 121.290 120.400 -0.326 0.000 2.713 587 D HA -0.223 4.420 4.640 0.006 0.000 0.231 587 D C 0.628 176.863 176.300 -0.108 0.000 1.173 587 D CA 1.042 54.896 54.000 -0.243 0.000 0.628 587 D CB -1.474 39.211 40.800 -0.191 0.000 1.033 587 D HN 0.105 nan 8.370 nan 0.000 0.419 588 F N 0.098 120.042 119.950 -0.009 0.000 2.802 588 F HA 0.210 4.741 4.527 0.006 0.000 0.300 588 F C 2.072 177.886 175.800 0.025 0.000 1.168 588 F CA 0.280 58.281 58.000 0.003 0.000 1.433 588 F CB 0.002 38.987 39.000 -0.024 0.000 1.115 588 F HN 0.048 nan 8.300 nan 0.000 0.582 589 G N -1.401 107.513 108.800 0.190 0.000 2.537 589 G HA2 0.473 4.437 3.960 0.006 0.000 0.323 589 G HA3 0.473 4.437 3.960 0.006 0.000 0.323 589 G C -1.787 173.279 174.900 0.277 0.000 1.207 589 G CA -0.455 44.781 45.100 0.225 0.000 0.976 589 G HN -0.020 nan 8.290 nan 0.000 0.487 590 F N -0.022 119.961 119.950 0.054 0.000 2.522 590 F HA 0.634 5.164 4.527 0.006 0.000 0.324 590 F C 0.465 176.017 175.800 -0.413 0.000 1.077 590 F CA -1.248 56.622 58.000 -0.217 0.000 0.944 590 F CB 2.075 40.919 39.000 -0.260 0.000 1.175 590 F HN 0.352 nan 8.300 nan 0.000 0.468 591 R N 5.281 125.104 120.500 -1.128 0.000 2.280 591 R HA 0.403 4.747 4.340 0.006 0.000 0.326 591 R C -1.142 174.816 176.300 -0.569 0.000 1.080 591 R CA -0.627 54.737 56.100 -1.226 0.000 1.002 591 R CB 0.384 29.826 30.300 -1.431 0.000 1.136 591 R HN 0.685 nan 8.270 nan 0.000 0.509 592 R N 3.506 123.873 120.500 -0.223 0.000 2.711 592 R HA 0.363 4.707 4.340 0.006 0.000 0.284 592 R C 0.214 176.456 176.300 -0.097 0.000 0.968 592 R CA -0.139 55.944 56.100 -0.029 0.000 0.924 592 R CB 0.587 30.954 30.300 0.112 0.000 1.162 592 R HN 0.825 nan 8.270 nan 0.000 0.465 593 N N 1.869 120.530 118.700 -0.064 0.000 3.594 593 N HA -0.307 4.437 4.740 0.006 0.000 0.203 593 N C -0.392 175.062 175.510 -0.094 0.000 0.298 593 N CA 2.091 55.103 53.050 -0.064 0.000 2.288 593 N CB -1.076 37.382 38.487 -0.047 0.000 1.381 593 N HN 0.782 nan 8.380 nan 0.000 0.377 594 N N 0.666 119.301 118.700 -0.108 0.000 2.162 594 N HA 0.089 4.833 4.740 0.006 0.000 0.232 594 N C -1.178 174.252 175.510 -0.133 0.000 1.361 594 N CA 0.062 53.038 53.050 -0.123 0.000 0.786 594 N CB 1.281 39.723 38.487 -0.074 0.000 1.290 594 N HN 0.339 nan 8.380 nan 0.000 0.505 595 K N 0.027 120.325 120.400 -0.171 0.000 2.409 595 K HA 0.521 4.845 4.320 0.006 0.000 0.252 595 K C -0.938 175.514 176.600 -0.247 0.000 1.036 595 K CA -0.446 55.778 56.287 -0.105 0.000 0.871 595 K CB 1.257 33.736 32.500 -0.036 0.000 1.374 595 K HN -0.184 nan 8.250 nan 0.000 0.459 596 F N 1.034 120.948 119.950 -0.059 0.000 2.532 596 F HA 0.349 4.880 4.527 0.006 0.000 0.321 596 F C 0.031 175.817 175.800 -0.022 0.000 1.089 596 F CA -0.025 57.943 58.000 -0.053 0.000 0.926 596 F CB 1.919 40.865 39.000 -0.089 0.000 1.168 596 F HN 0.626 nan 8.300 nan 0.000 0.459 597 D N 1.499 122.010 120.400 0.184 0.000 2.692 597 D HA 0.168 4.812 4.640 0.006 0.000 0.290 597 D C -1.078 175.289 176.300 0.111 0.000 1.281 597 D CA -0.573 53.496 54.000 0.115 0.000 0.804 597 D CB 1.007 41.840 40.800 0.056 0.000 1.331 597 D HN 0.458 nan 8.370 nan 0.000 0.432 598 L N 0.638 121.901 121.223 0.066 0.000 2.728 598 L HA 0.262 4.605 4.340 0.006 0.000 0.235 598 L C 2.211 179.083 176.870 0.004 0.000 1.197 598 L CA -0.463 54.407 54.840 0.050 0.000 0.992 598 L CB -0.204 41.877 42.059 0.035 0.000 1.263 598 L HN 0.399 nan 8.230 nan 0.000 0.484 599 K N 1.534 121.928 120.400 -0.009 0.000 2.034 599 K HA -0.217 4.107 4.320 0.006 0.000 0.214 599 K C 1.571 178.117 176.600 -0.089 0.000 1.051 599 K CA 1.777 58.032 56.287 -0.053 0.000 0.931 599 K CB 0.141 32.600 32.500 -0.069 0.000 0.715 599 K HN 0.259 nan 8.250 nan 0.000 0.446 600 K N 0.137 120.459 120.400 -0.130 0.000 2.404 600 K HA 0.058 4.382 4.320 0.006 0.000 0.194 600 K C -0.143 176.399 176.600 -0.098 0.000 1.023 600 K CA 0.043 56.226 56.287 -0.174 0.000 1.094 600 K CB 0.588 32.870 32.500 -0.363 0.000 0.841 600 K HN 0.117 nan 8.250 nan 0.000 0.523 601 T N 1.751 116.275 114.554 -0.051 0.000 2.902 601 T HA 0.093 4.447 4.350 0.006 0.000 0.301 601 T C -0.062 174.603 174.700 -0.059 0.000 1.012 601 T CA 0.291 62.373 62.100 -0.030 0.000 1.151 601 T CB 0.607 69.469 68.868 -0.010 0.000 0.946 601 T HN 0.073 nan 8.240 nan 0.000 0.542 602 R N 1.694 122.156 120.500 -0.062 0.000 2.725 602 R HA 0.670 5.014 4.340 0.006 0.000 0.277 602 R C -1.783 174.460 176.300 -0.095 0.000 0.987 602 R CA -0.593 55.463 56.100 -0.073 0.000 0.901 602 R CB 1.570 31.838 30.300 -0.054 0.000 1.207 602 R HN 0.474 nan 8.270 nan 0.000 0.463 603 V N 4.458 124.308 119.914 -0.108 0.000 2.604 603 V HA 0.542 4.666 4.120 0.006 0.000 0.305 603 V C -1.071 174.962 176.094 -0.101 0.000 1.043 603 V CA -0.893 61.331 62.300 -0.127 0.000 0.888 603 V CB 1.885 33.602 31.823 -0.177 0.000 0.995 603 V HN 0.507 nan 8.190 nan 0.000 0.429 604 L N 5.087 126.257 121.223 -0.089 0.000 2.356 604 L HA 0.565 4.909 4.340 0.006 0.000 0.277 604 L C -0.809 176.012 176.870 -0.081 0.000 0.996 604 L CA -0.542 54.257 54.840 -0.069 0.000 0.822 604 L CB 1.772 43.807 42.059 -0.039 0.000 1.256 604 L HN 0.629 nan 8.230 nan 0.000 0.413 605 L N 5.494 126.666 121.223 -0.086 0.000 2.556 605 L HA 0.504 4.848 4.340 0.006 0.000 0.245 605 L C 0.947 177.780 176.870 -0.063 0.000 1.174 605 L CA 1.009 55.793 54.840 -0.094 0.000 1.117 605 L CB -0.008 41.981 42.059 -0.117 0.000 1.409 605 L HN 0.944 nan 8.230 nan 0.000 0.411 606 G N 2.792 111.565 108.800 -0.045 0.000 5.206 606 G HA2 -0.492 3.472 3.960 0.006 0.000 0.328 606 G HA3 -0.492 3.472 3.960 0.006 0.000 0.328 606 G C 1.071 175.956 174.900 -0.026 0.000 1.382 606 G CA 0.707 45.785 45.100 -0.036 0.000 0.994 606 G HN 0.554 nan 8.290 nan 0.000 0.800 607 N N 0.622 119.299 118.700 -0.039 0.000 2.460 607 N HA 0.182 4.926 4.740 0.006 0.000 0.193 607 N C 0.341 175.839 175.510 -0.020 0.000 1.080 607 N CA 0.964 54.004 53.050 -0.018 0.000 0.869 607 N CB 0.377 38.859 38.487 -0.009 0.000 1.201 607 N HN 0.459 nan 8.380 nan 0.000 0.457 608 E N 0.364 120.547 120.200 -0.028 0.000 2.214 608 E HA 0.245 4.599 4.350 0.006 0.000 0.274 608 E C -0.360 176.221 176.600 -0.032 0.000 0.977 608 E CA -0.366 56.021 56.400 -0.023 0.000 0.827 608 E CB 1.729 31.421 29.700 -0.014 0.000 1.130 608 E HN 0.292 nan 8.360 nan 0.000 0.394 609 S N 0.225 115.905 115.700 -0.033 0.000 2.600 609 S HA 0.205 4.678 4.470 0.006 0.000 0.265 609 S C 0.239 174.807 174.600 -0.055 0.000 1.325 609 S CA -0.854 57.319 58.200 -0.045 0.000 1.002 609 S CB 0.862 64.037 63.200 -0.040 0.000 0.921 609 S HN 0.545 nan 8.310 nan 0.000 0.554 610 c N 3.238 121.793 118.600 -0.075 0.000 2.321 610 c HA 0.549 5.122 4.570 0.006 0.000 0.323 610 c C 0.425 174.464 174.090 -0.085 0.000 1.191 610 c CA -0.565 55.708 56.329 -0.092 0.000 1.455 610 c CB -0.811 41.613 42.510 -0.143 0.000 2.083 610 c HN 0.966 nan 8.230 nan 0.000 0.442 611 T N 5.456 119.971 114.554 -0.064 0.000 2.759 611 T HA 0.208 4.562 4.350 0.006 0.000 0.273 611 T C 0.055 174.716 174.700 -0.065 0.000 0.938 611 T CA -0.025 62.041 62.100 -0.056 0.000 1.197 611 T CB -0.229 68.615 68.868 -0.040 0.000 0.887 611 T HN 0.647 nan 8.240 nan 0.000 0.540 612 L N 4.210 125.390 121.223 -0.072 0.000 2.380 612 L HA 0.281 4.625 4.340 0.006 0.000 0.273 612 L C 1.239 178.075 176.870 -0.057 0.000 1.138 612 L CA -0.500 54.295 54.840 -0.076 0.000 0.832 612 L CB 0.715 42.723 42.059 -0.086 0.000 1.124 612 L HN 0.792 nan 8.230 nan 0.000 0.454 613 T N 1.407 115.930 114.554 -0.052 0.000 2.811 613 T HA 0.329 4.683 4.350 0.006 0.000 0.309 613 T C 1.234 175.910 174.700 -0.039 0.000 1.005 613 T CA -0.736 61.340 62.100 -0.040 0.000 0.955 613 T CB 0.395 69.243 68.868 -0.033 0.000 0.970 613 T HN 0.458 nan 8.240 nan 0.000 0.496 614 L N 2.906 124.108 121.223 -0.035 0.000 2.083 614 L HA -0.077 4.267 4.340 0.006 0.000 0.209 614 L C 2.981 179.838 176.870 -0.022 0.000 1.083 614 L CA 1.377 56.199 54.840 -0.029 0.000 0.752 614 L CB -0.692 41.350 42.059 -0.027 0.000 0.899 614 L HN 0.824 nan 8.230 nan 0.000 0.433 615 S N -0.894 114.793 115.700 -0.021 0.000 2.537 615 S HA -0.168 4.306 4.470 0.006 0.000 0.240 615 S C 1.354 175.943 174.600 -0.018 0.000 0.981 615 S CA 1.048 59.238 58.200 -0.018 0.000 0.948 615 S CB -0.232 62.958 63.200 -0.017 0.000 0.759 615 S HN 0.546 nan 8.310 nan 0.000 0.531 616 E N 0.253 120.440 120.200 -0.021 0.000 2.630 616 E HA 0.261 4.615 4.350 0.006 0.000 0.218 616 E C -0.689 175.897 176.600 -0.022 0.000 0.977 616 E CA -0.209 56.178 56.400 -0.022 0.000 1.038 616 E CB 1.099 30.784 29.700 -0.024 0.000 1.051 616 E HN 0.408 nan 8.360 nan 0.000 0.487 617 S N 0.297 115.986 115.700 -0.019 0.000 2.566 617 S HA 0.492 4.966 4.470 0.006 0.000 0.298 617 S C 0.061 174.664 174.600 0.004 0.000 1.083 617 S CA -0.803 57.389 58.200 -0.013 0.000 0.978 617 S CB 2.012 65.195 63.200 -0.028 0.000 1.073 617 S HN 0.212 nan 8.310 nan 0.000 0.491 618 T N -1.339 113.228 114.554 0.022 0.000 2.807 618 T HA 0.454 4.808 4.350 0.006 0.000 0.277 618 T C 0.779 175.518 174.700 0.064 0.000 1.006 618 T CA -0.944 61.170 62.100 0.023 0.000 1.006 618 T CB 0.509 69.374 68.868 -0.005 0.000 1.274 618 T HN 0.353 nan 8.240 nan 0.000 0.569 619 M N 1.095 120.706 119.600 0.018 0.000 2.722 619 M HA 0.171 4.654 4.480 0.006 0.000 0.238 619 M C 0.449 176.710 176.300 -0.065 0.000 1.098 619 M CA 0.590 55.889 55.300 -0.002 0.000 1.062 619 M CB -1.247 31.287 32.600 -0.109 0.000 1.573 619 M HN 0.562 nan 8.290 nan 0.000 0.531 620 N N -0.446 118.245 118.700 -0.016 0.000 2.075 620 N HA 0.098 4.842 4.740 0.006 0.000 0.226 620 N C -0.448 175.094 175.510 0.053 0.000 1.343 620 N CA 0.336 53.299 53.050 -0.144 0.000 0.881 620 N CB 1.562 39.935 38.487 -0.191 0.000 1.100 620 N HN 0.072 nan 8.380 nan 0.000 0.495 621 T N 1.350 115.998 114.554 0.156 0.000 2.991 621 T HA 0.483 4.837 4.350 0.006 0.000 0.303 621 T C -1.415 173.321 174.700 0.060 0.000 1.015 621 T CA -0.344 61.822 62.100 0.110 0.000 1.007 621 T CB 1.976 70.857 68.868 0.021 0.000 1.034 621 T HN -0.200 nan 8.240 nan 0.000 0.446 622 L N 3.591 124.790 121.223 -0.040 0.000 2.341 622 L HA 0.614 4.957 4.340 0.006 0.000 0.278 622 L C -0.126 176.676 176.870 -0.113 0.000 1.005 622 L CA -0.447 54.303 54.840 -0.149 0.000 0.818 622 L CB 1.611 43.442 42.059 -0.379 0.000 1.259 622 L HN 0.482 nan 8.230 nan 0.000 0.418 623 K N 2.957 123.300 120.400 -0.094 0.000 2.426 623 K HA 0.790 5.114 4.320 0.006 0.000 0.254 623 K C -1.267 175.283 176.600 -0.083 0.000 0.936 623 K CA -0.555 55.687 56.287 -0.074 0.000 0.801 623 K CB 2.151 34.622 32.500 -0.047 0.000 1.139 623 K HN 0.788 nan 8.250 nan 0.000 0.424 624 c N -0.458 118.090 118.600 -0.088 0.000 3.241 624 c HA 0.514 5.088 4.570 0.006 0.000 0.348 624 c C 0.126 174.171 174.090 -0.075 0.000 1.180 624 c CA -0.918 55.360 56.329 -0.084 0.000 1.273 624 c CB 0.770 43.214 42.510 -0.110 0.000 1.620 624 c HN 0.914 nan 8.230 nan 0.000 0.510 625 T N 0.799 115.322 114.554 -0.053 0.000 2.913 625 T HA 0.547 4.900 4.350 0.006 0.000 0.297 625 T C 0.641 175.319 174.700 -0.036 0.000 1.029 625 T CA -0.069 62.011 62.100 -0.032 0.000 1.104 625 T CB 1.238 70.098 68.868 -0.013 0.000 0.964 625 T HN 0.972 nan 8.240 nan 0.000 0.532 626 V N 2.297 122.206 119.914 -0.008 0.000 2.784 626 V HA 0.401 4.525 4.120 0.006 0.000 0.231 626 V C 1.699 177.855 176.094 0.103 0.000 1.128 626 V CA 0.738 63.038 62.300 0.000 0.000 1.178 626 V CB -0.753 31.047 31.823 -0.038 0.000 0.943 626 V HN 1.136 nan 8.190 nan 0.000 0.500 627 G N 1.369 110.277 108.800 0.180 0.000 2.420 627 G HA2 0.577 4.541 3.960 0.006 0.000 0.284 627 G HA3 0.577 4.541 3.960 0.006 0.000 0.284 627 G C -2.642 172.301 174.900 0.070 0.000 1.177 627 G CA -0.468 44.763 45.100 0.218 0.000 0.841 627 G HN 0.292 nan 8.290 nan 0.000 0.527 635 N N 2.236 121.236 118.700 0.500 0.000 2.946 635 N HA 0.277 5.021 4.740 0.006 0.000 0.213 635 N C -1.705 173.956 175.510 0.251 0.000 1.440 635 N CA -0.025 53.163 53.050 0.229 0.000 0.745 635 N CB 0.495 39.039 38.487 0.095 0.000 1.471 635 N HN 0.563 nan 8.380 nan 0.000 0.569 636 M N 0.225 119.940 119.600 0.191 0.000 2.368 636 M HA 0.340 4.824 4.480 0.006 0.000 0.311 636 M C 0.674 177.030 176.300 0.094 0.000 1.168 636 M CA -0.318 55.051 55.300 0.117 0.000 1.044 636 M CB 1.334 33.929 32.600 -0.009 0.000 1.506 636 M HN 0.242 nan 8.290 nan 0.000 0.475 637 S N 1.708 117.447 115.700 0.065 0.000 2.442 637 S HA 0.591 5.065 4.470 0.006 0.000 0.297 637 S C -0.736 173.892 174.600 0.047 0.000 1.131 637 S CA -0.795 57.439 58.200 0.057 0.000 1.092 637 S CB 0.246 63.478 63.200 0.052 0.000 0.998 637 S HN 0.506 nan 8.310 nan 0.000 0.478 638 I N 5.712 126.324 120.570 0.071 0.000 2.331 638 I HA 0.399 4.573 4.170 0.006 0.000 0.292 638 I C -0.386 175.754 176.117 0.039 0.000 0.998 638 I CA -0.447 60.867 61.300 0.023 0.000 1.267 638 I CB 1.089 39.097 38.000 0.013 0.000 1.386 638 I HN 0.511 nan 8.210 nan 0.000 0.476 639 I N 7.248 127.819 120.570 0.002 0.000 2.378 639 I HA 0.452 4.625 4.170 0.006 0.000 0.291 639 I C -0.341 175.768 176.117 -0.015 0.000 0.992 639 I CA -0.464 60.846 61.300 0.016 0.000 1.154 639 I CB 1.611 39.623 38.000 0.021 0.000 1.315 639 I HN 0.389 nan 8.210 nan 0.000 0.448 640 I N 4.804 125.376 120.570 0.002 0.000 2.433 640 I HA 0.347 4.521 4.170 0.006 0.000 0.292 640 I C -0.049 176.091 176.117 0.038 0.000 1.001 640 I CA -0.396 60.887 61.300 -0.029 0.000 1.119 640 I CB 2.044 39.982 38.000 -0.104 0.000 1.289 640 I HN 0.519 nan 8.210 nan 0.000 0.438 641 S N 3.767 119.482 115.700 0.025 0.000 2.482 641 S HA 0.346 4.820 4.470 0.006 0.000 0.303 641 S C 0.214 174.859 174.600 0.076 0.000 1.091 641 S CA -0.745 57.495 58.200 0.067 0.000 1.057 641 S CB 1.149 64.378 63.200 0.048 0.000 1.031 641 S HN 0.716 nan 8.310 nan 0.000 0.485 642 N N 2.931 121.711 118.700 0.133 0.000 2.230 642 N HA 0.297 5.041 4.740 0.006 0.000 0.202 642 N C 1.178 176.784 175.510 0.161 0.000 1.119 642 N CA 0.496 53.633 53.050 0.146 0.000 0.851 642 N CB 0.417 39.014 38.487 0.184 0.000 0.990 642 N HN 1.067 nan 8.380 nan 0.000 0.497 643 G N -0.428 108.457 108.800 0.142 0.000 2.284 643 G HA2 -0.304 3.660 3.960 0.006 0.000 0.216 643 G HA3 -0.304 3.660 3.960 0.006 0.000 0.216 643 G C 0.785 175.921 174.900 0.393 0.000 1.009 643 G CA 0.320 45.496 45.100 0.125 0.000 0.625 643 G HN 0.430 nan 8.290 nan 0.000 0.501 644 H N 0.649 119.906 119.070 0.311 0.000 2.361 644 H HA 0.485 5.045 4.556 0.006 0.000 0.308 644 H C 1.646 177.050 175.328 0.127 0.000 1.053 644 H CA 1.875 58.048 56.048 0.208 0.000 1.377 644 H CB 0.176 30.010 29.762 0.120 0.000 1.434 644 H HN 0.852 nan 8.280 nan 0.000 0.548 645 G N -1.054 107.901 108.800 0.258 0.000 2.682 645 G HA2 0.463 4.427 3.960 0.006 0.000 0.303 645 G HA3 0.463 4.427 3.960 0.006 0.000 0.303 645 G C -0.917 174.069 174.900 0.142 0.000 1.341 645 G CA -0.147 45.051 45.100 0.163 0.000 0.784 645 G HN 0.326 nan 8.290 nan 0.000 0.497 646 T N -2.701 111.922 114.554 0.116 0.000 2.930 646 T HA 0.855 5.209 4.350 0.006 0.000 0.290 646 T C -0.359 174.411 174.700 0.116 0.000 1.052 646 T CA -0.533 61.630 62.100 0.106 0.000 1.017 646 T CB 1.990 70.906 68.868 0.080 0.000 1.137 646 T HN 0.728 nan 8.240 nan 0.000 0.511 647 T N 1.107 115.733 114.554 0.120 0.000 2.778 647 T HA 0.685 5.039 4.350 0.006 0.000 0.293 647 T C -1.534 173.242 174.700 0.126 0.000 1.144 647 T CA -1.000 61.182 62.100 0.137 0.000 1.010 647 T CB 1.862 70.838 68.868 0.180 0.000 1.325 647 T HN 0.815 nan 8.240 nan 0.000 0.515 648 Q N 0.003 119.896 119.800 0.155 0.000 2.423 648 Q HA 0.779 5.123 4.340 0.006 0.000 0.278 648 Q C -1.921 174.245 176.000 0.278 0.000 1.097 648 Q CA -1.019 54.882 55.803 0.162 0.000 0.809 648 Q CB 1.639 30.453 28.738 0.127 0.000 1.391 648 Q HN 0.696 nan 8.270 nan 0.000 0.428 649 Y N -0.051 120.267 120.300 0.031 0.000 2.274 649 Y HA 0.422 4.976 4.550 0.006 0.000 0.323 649 Y C -1.187 174.728 175.900 0.025 0.000 1.171 649 Y CA -0.721 57.393 58.100 0.024 0.000 1.163 649 Y CB 1.956 40.418 38.460 0.003 0.000 1.183 649 Y HN 0.737 nan 8.280 nan 0.000 0.424 650 S N 3.485 119.070 115.700 -0.190 0.000 2.912 650 S HA 0.346 4.819 4.470 0.006 0.000 0.184 650 S C 0.505 174.988 174.600 -0.196 0.000 1.390 650 S CA -0.134 57.996 58.200 -0.116 0.000 1.088 650 S CB 0.732 63.896 63.200 -0.060 0.000 1.284 650 S HN 0.781 nan 8.310 nan 0.000 0.502 651 T N 0.255 114.697 114.554 -0.187 0.000 3.254 651 T HA 0.215 4.569 4.350 0.006 0.000 0.267 651 T C 0.108 174.792 174.700 -0.027 0.000 0.946 651 T CA -0.410 61.586 62.100 -0.175 0.000 0.991 651 T CB -0.118 68.528 68.868 -0.370 0.000 1.205 651 T HN 0.508 nan 8.240 nan 0.000 0.494 652 F N 4.247 124.144 119.950 -0.089 0.000 2.590 652 F HA 0.350 4.881 4.527 0.007 0.000 0.389 652 F C -0.057 175.681 175.800 -0.103 0.000 1.049 652 F CA 0.030 57.971 58.000 -0.098 0.000 1.199 652 F CB 0.252 39.182 39.000 -0.115 0.000 1.058 652 F HN -0.077 nan 8.300 nan 0.000 0.556 653 S N 5.740 120.987 115.700 -0.755 0.000 2.503 653 S HA 0.315 4.789 4.470 0.006 0.000 0.301 653 S C -1.122 173.042 174.600 -0.725 0.000 1.087 653 S CA -0.443 57.463 58.200 -0.490 0.000 1.042 653 S CB 0.972 64.041 63.200 -0.218 0.000 1.043 653 S HN 0.493 nan 8.310 nan 0.000 0.489 654 Y N 3.079 123.229 120.300 -0.251 0.000 2.736 654 Y HA 0.257 4.811 4.550 0.006 0.000 0.339 654 Y C 0.757 176.618 175.900 -0.066 0.000 1.301 654 Y CA -0.885 57.129 58.100 -0.145 0.000 1.676 654 Y CB -0.709 37.770 38.460 0.031 0.000 1.725 654 Y HN 0.499 nan 8.280 nan 0.000 0.466 655 V N -1.238 118.690 119.914 0.023 0.000 3.441 655 V HA 0.338 4.462 4.120 0.006 0.000 0.300 655 V C 0.059 176.189 176.094 0.059 0.000 1.091 655 V CA -0.637 61.677 62.300 0.024 0.000 1.099 655 V CB 1.533 33.337 31.823 -0.030 0.000 1.138 655 V HN 0.381 nan 8.190 nan 0.000 0.471 656 D N 0.633 121.053 120.400 0.033 0.000 2.696 656 D HA 0.488 5.132 4.640 0.006 0.000 0.251 656 D C -2.715 173.595 176.300 0.016 0.000 1.188 656 D CA -1.480 52.538 54.000 0.030 0.000 0.876 656 D CB 1.651 42.465 40.800 0.023 0.000 1.334 656 D HN 0.619 nan 8.370 nan 0.000 0.540 657 P HA 0.388 nan 4.420 nan 0.000 0.259 657 P C -0.339 176.966 177.300 0.008 0.000 1.211 657 P CA 0.105 63.212 63.100 0.011 0.000 0.810 657 P CB 0.355 32.063 31.700 0.014 0.000 0.815 658 V N 0.000 119.916 119.914 0.004 0.000 2.409 658 V HA 0.000 4.124 4.120 0.006 0.000 0.244 658 V CA 0.000 nan 62.300 nan 0.000 1.235 658 V CB 0.000 nan 31.823 nan 0.000 1.184 658 V HN 0.000 nan 8.190 nan 0.000 0.556