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 2uzy_1_D 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 XXXXXXXXXX EVFNILQAAY VSKPGAQLAR QIGASLNDDI DATA SEQUENCE LFAVFAQSKP DSAEPMDRSA McAFPIKYVN DFFNKIXXXX XXRCLQHFYG 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 LKcTVGXXXX XXFNMSIIIS DATA SEQUENCE NGHGTTQYST FSYVDPVITS ISPKYGPMAG GTLLTLTGNX XXXXXXXHIS DATA SEQUENCE IGGKTcTLKS VSNSILEcYT PAQTISTEFA VKLKIDLANR ETSIFSYRED 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 0.000 175.923 176.000 -0.128 0.000 1.003 42 Q CA 0.000 55.732 55.803 -0.119 0.000 1.022 42 Q CB 0.000 28.646 28.738 -0.152 0.000 1.108 43 L N -1.882 119.257 121.223 -0.141 0.000 2.303 43 L HA 0.936 5.277 4.340 0.002 0.000 0.266 43 L C -2.285 174.520 176.870 -0.109 0.000 1.011 43 L CA -2.579 52.178 54.840 -0.138 0.000 0.818 43 L CB 0.723 42.676 42.059 -0.176 0.000 1.326 43 L HN -0.305 nan 8.230 nan 0.000 0.435 44 P HA 0.084 nan 4.420 nan 0.000 0.258 44 P C -1.436 175.824 177.300 -0.066 0.000 1.187 44 P CA 0.336 63.380 63.100 -0.093 0.000 0.767 44 P CB -0.085 31.539 31.700 -0.127 0.000 0.770 45 N N 2.340 121.020 118.700 -0.033 0.000 2.312 45 N HA 0.700 5.441 4.740 0.002 0.000 0.296 45 N C -1.465 174.094 175.510 0.082 0.000 1.193 45 N CA -0.824 52.225 53.050 -0.002 0.000 0.773 45 N CB 2.131 40.597 38.487 -0.035 0.000 1.435 45 N HN 0.196 nan 8.380 nan 0.000 0.484 46 F N 0.186 120.076 119.950 -0.100 0.000 2.604 46 F HA 0.419 4.947 4.527 0.002 0.000 0.316 46 F C -1.690 174.029 175.800 -0.135 0.000 1.136 46 F CA -0.048 57.880 58.000 -0.119 0.000 0.989 46 F CB 2.266 41.192 39.000 -0.123 0.000 1.258 46 F HN 0.494 nan 8.300 nan 0.000 0.451 47 T N 4.739 118.682 114.554 -1.019 0.000 2.876 47 T HA 0.841 5.192 4.350 0.002 0.000 0.289 47 T C -0.298 173.728 174.700 -1.124 0.000 1.014 47 T CA -0.255 61.378 62.100 -0.779 0.000 0.986 47 T CB 1.683 70.296 68.868 -0.425 0.000 1.021 47 T HN 0.822 nan 8.240 nan 0.000 0.458 48 A N 1.394 123.778 122.820 -0.726 0.000 2.717 48 A HA 0.607 4.928 4.320 0.002 0.000 0.262 48 A C 1.049 178.416 177.584 -0.362 0.000 1.483 48 A CA -0.378 51.238 52.037 -0.701 0.000 0.889 48 A CB 0.323 18.961 19.000 -0.603 0.000 1.604 48 A HN 0.876 nan 8.150 nan 0.000 0.523 49 E N -0.928 119.158 120.200 -0.190 0.000 2.250 49 E HA 0.084 4.435 4.350 0.002 0.000 0.192 49 E C -0.050 176.568 176.600 0.030 0.000 0.986 49 E CA 1.174 57.532 56.400 -0.070 0.000 0.849 49 E CB 0.129 29.790 29.700 -0.064 0.000 0.797 49 E HN 0.757 nan 8.360 nan 0.000 0.482 50 T N -1.349 113.264 114.554 0.098 0.000 2.841 50 T HA 0.378 4.729 4.350 0.002 0.000 0.296 50 T C -2.980 171.773 174.700 0.088 0.000 1.166 50 T CA -2.339 59.830 62.100 0.116 0.000 1.007 50 T CB 1.606 70.596 68.868 0.202 0.000 1.253 50 T HN -0.322 nan 8.240 nan 0.000 0.511 51 P HA 0.217 nan 4.420 nan 0.000 0.266 51 P C -0.454 176.903 177.300 0.095 0.000 1.195 51 P CA -0.383 62.731 63.100 0.022 0.000 0.768 51 P CB 0.200 31.913 31.700 0.020 0.000 0.838 52 I N 3.731 124.352 120.570 0.084 0.000 2.352 52 I HA 0.111 4.282 4.170 0.002 0.000 0.290 52 I C 1.345 177.536 176.117 0.124 0.000 1.036 52 I CA 0.086 61.471 61.300 0.141 0.000 1.336 52 I CB 0.980 39.066 38.000 0.144 0.000 1.407 52 I HN 0.412 nan 8.210 nan 0.000 0.497 53 Q N 3.986 123.869 119.800 0.137 0.000 2.165 53 Q HA 0.167 4.507 4.340 0.002 0.000 0.197 53 Q C 0.046 176.122 176.000 0.127 0.000 0.952 53 Q CA 1.132 57.009 55.803 0.123 0.000 0.848 53 Q CB 0.386 29.192 28.738 0.114 0.000 0.931 53 Q HN 0.588 nan 8.270 nan 0.000 0.470 54 N N -0.781 118.003 118.700 0.139 0.000 2.284 54 N HA 0.478 5.219 4.740 0.002 0.000 0.289 54 N C -1.632 173.974 175.510 0.160 0.000 1.179 54 N CA -0.349 52.784 53.050 0.140 0.000 0.774 54 N CB 2.869 41.433 38.487 0.128 0.000 1.548 54 N HN -0.194 nan 8.380 nan 0.000 0.473 55 V N 2.132 122.141 119.914 0.158 0.000 2.709 55 V HA 0.633 4.754 4.120 0.002 0.000 0.308 55 V C -0.158 176.048 176.094 0.187 0.000 1.062 55 V CA -0.719 61.687 62.300 0.177 0.000 0.901 55 V CB 2.043 33.956 31.823 0.151 0.000 1.003 55 V HN 0.621 nan 8.190 nan 0.000 0.425 56 I N 2.139 122.857 120.570 0.247 0.000 3.191 56 I HA 0.808 4.979 4.170 0.002 0.000 0.313 56 I C -1.803 174.534 176.117 0.367 0.000 1.193 56 I CA -1.308 60.150 61.300 0.264 0.000 0.968 56 I CB 2.528 40.666 38.000 0.231 0.000 1.262 56 I HN 0.490 nan 8.210 nan 0.000 0.456 57 L N 2.952 124.371 121.223 0.327 0.000 2.457 57 L HA 0.507 4.848 4.340 0.002 0.000 0.266 57 L C -1.569 175.506 176.870 0.342 0.000 0.979 57 L CA -0.078 54.949 54.840 0.311 0.000 0.857 57 L CB 1.135 43.291 42.059 0.162 0.000 1.213 57 L HN 0.772 nan 8.230 nan 0.000 0.418 58 H N 4.872 124.195 119.070 0.422 0.000 2.638 58 H HA 0.539 5.096 4.556 0.002 0.000 0.303 58 H C -0.717 174.711 175.328 0.166 0.000 1.034 58 H CA -0.088 56.129 56.048 0.280 0.000 1.225 58 H CB 0.698 30.646 29.762 0.310 0.000 1.394 58 H HN 0.597 nan 8.280 nan 0.000 0.477 59 E N 5.974 125.904 120.200 -0.450 0.000 2.708 59 E HA -0.276 4.075 4.350 0.002 0.000 0.150 59 E C -0.251 176.158 176.600 -0.318 0.000 1.853 59 E CA 1.226 57.270 56.400 -0.595 0.000 0.643 59 E CB -1.633 27.696 29.700 -0.618 0.000 1.078 59 E HN 1.057 nan 8.360 nan 0.000 0.345 60 H N -1.294 117.719 119.070 -0.094 0.000 2.899 60 H HA -0.206 4.351 4.556 0.002 0.000 0.282 60 H C -0.044 174.970 175.328 -0.524 0.000 1.198 60 H CA 1.559 57.463 56.048 -0.240 0.000 1.140 60 H CB -1.709 27.893 29.762 -0.268 0.000 1.317 60 H HN 0.609 nan 8.280 nan 0.000 0.375 61 H N -0.227 118.806 119.070 -0.062 0.000 3.017 61 H HA 0.266 4.823 4.556 0.002 0.000 0.340 61 H C 0.399 175.487 175.328 -0.401 0.000 1.014 61 H CA -0.746 55.165 56.048 -0.229 0.000 1.341 61 H CB 1.403 31.014 29.762 -0.251 0.000 1.739 61 H HN -0.028 nan 8.280 nan 0.000 0.506 62 I N 3.043 123.432 120.570 -0.301 0.000 2.581 62 I HA 0.190 4.361 4.170 0.002 0.000 0.288 62 I C 0.095 175.921 176.117 -0.485 0.000 1.047 62 I CA -0.196 60.961 61.300 -0.238 0.000 1.374 62 I CB -0.060 37.858 38.000 -0.136 0.000 1.423 62 I HN 0.337 nan 8.210 nan 0.000 0.549 63 F N 5.004 125.028 119.950 0.124 0.000 2.507 63 F HA 0.463 4.991 4.527 0.002 0.000 0.328 63 F C -0.214 175.667 175.800 0.135 0.000 1.136 63 F CA -0.543 57.535 58.000 0.131 0.000 0.930 63 F CB 1.291 40.371 39.000 0.134 0.000 1.166 63 F HN 0.089 nan 8.300 nan 0.000 0.436 64 L N 3.723 125.138 121.223 0.319 0.000 2.313 64 L HA 0.465 4.806 4.340 0.002 0.000 0.273 64 L C 0.622 177.686 176.870 0.325 0.000 1.028 64 L CA -0.726 54.303 54.840 0.314 0.000 0.871 64 L CB 1.167 43.438 42.059 0.353 0.000 1.242 64 L HN 0.838 nan 8.230 nan 0.000 0.434 65 G N 2.428 111.372 108.800 0.240 0.000 2.605 65 G HA2 0.455 4.416 3.960 0.002 0.000 0.301 65 G HA3 0.455 4.416 3.960 0.002 0.000 0.301 65 G C 0.299 175.316 174.900 0.195 0.000 0.881 65 G CA 0.114 45.325 45.100 0.184 0.000 1.553 65 G HN 0.680 nan 8.290 nan 0.000 0.483 66 A N 2.612 125.574 122.820 0.237 0.000 2.420 66 A HA 0.857 5.177 4.320 0.002 0.000 0.291 66 A C 0.743 178.434 177.584 0.179 0.000 1.228 66 A CA -0.527 51.663 52.037 0.255 0.000 0.933 66 A CB 0.517 19.780 19.000 0.438 0.000 1.428 66 A HN 0.479 nan 8.150 nan 0.000 0.493 67 T N 2.156 116.817 114.554 0.178 0.000 2.853 67 T HA 0.248 4.599 4.350 0.002 0.000 0.298 67 T C 0.256 174.988 174.700 0.053 0.000 0.978 67 T CA 0.617 62.778 62.100 0.102 0.000 1.152 67 T CB -0.120 68.809 68.868 0.100 0.000 0.914 67 T HN 0.651 nan 8.240 nan 0.000 0.539 68 N N 0.485 119.111 118.700 -0.124 0.000 2.815 68 N HA -0.191 4.550 4.740 0.002 0.000 0.247 68 N C -0.741 174.303 175.510 -0.776 0.000 1.030 68 N CA 1.477 54.267 53.050 -0.434 0.000 0.881 68 N CB -1.547 36.621 38.487 -0.531 0.000 1.134 68 N HN 0.780 nan 8.380 nan 0.000 0.582 69 Y N -0.728 119.489 120.300 -0.138 0.000 2.597 69 Y HA 0.656 5.207 4.550 0.002 0.000 0.340 69 Y C -0.104 175.628 175.900 -0.279 0.000 1.097 69 Y CA -1.034 56.870 58.100 -0.327 0.000 1.037 69 Y CB 1.678 39.773 38.460 -0.608 0.000 1.305 69 Y HN -0.151 nan 8.280 nan 0.000 0.463 70 I N 2.790 123.273 120.570 -0.145 0.000 2.583 70 I HA 0.255 4.426 4.170 0.002 0.000 0.276 70 I C -1.480 174.623 176.117 -0.023 0.000 1.089 70 I CA -0.628 60.665 61.300 -0.013 0.000 1.103 70 I CB 0.488 38.534 38.000 0.075 0.000 1.209 70 I HN 0.450 nan 8.210 nan 0.000 0.484 71 Y N 4.066 124.495 120.300 0.215 0.000 2.301 71 Y HA 0.423 4.974 4.550 0.002 0.000 0.328 71 Y C 0.544 176.494 175.900 0.084 0.000 1.242 71 Y CA -0.750 57.436 58.100 0.144 0.000 1.323 71 Y CB 0.984 39.522 38.460 0.129 0.000 1.266 71 Y HN 0.152 nan 8.280 nan 0.000 0.527 72 V N 5.084 125.093 119.914 0.159 0.000 2.325 72 V HA 0.278 4.399 4.120 0.002 0.000 0.280 72 V C -0.054 175.962 176.094 -0.131 0.000 1.016 72 V CA -0.731 61.542 62.300 -0.044 0.000 0.818 72 V CB 0.096 31.944 31.823 0.042 0.000 1.019 72 V HN 0.627 nan 8.190 nan 0.000 0.434 73 L N 2.738 123.806 121.223 -0.258 0.000 2.472 73 L HA 0.606 4.947 4.340 0.002 0.000 0.256 73 L C 0.266 177.028 176.870 -0.180 0.000 1.111 73 L CA -0.675 53.986 54.840 -0.299 0.000 0.800 73 L CB 0.778 42.556 42.059 -0.469 0.000 1.286 73 L HN 0.442 nan 8.230 nan 0.000 0.479 74 N N 0.086 118.671 118.700 -0.192 0.000 2.372 74 N HA 0.085 4.826 4.740 0.002 0.000 0.291 74 N C 0.381 175.755 175.510 -0.227 0.000 1.024 74 N CA -0.182 52.748 53.050 -0.201 0.000 0.873 74 N CB 1.961 40.361 38.487 -0.145 0.000 1.206 74 N HN 0.580 nan 8.380 nan 0.000 0.486 75 E N 1.865 121.915 120.200 -0.249 0.000 2.209 75 E HA -0.237 4.114 4.350 0.002 0.000 0.196 75 E C 0.893 177.362 176.600 -0.219 0.000 0.993 75 E CA 1.267 57.558 56.400 -0.182 0.000 0.819 75 E CB 0.341 29.991 29.700 -0.083 0.000 0.745 75 E HN 0.703 nan 8.360 nan 0.000 0.477 76 E N 0.376 120.458 120.200 -0.197 0.000 2.046 76 E HA -0.162 4.188 4.350 0.002 0.000 0.190 76 E C 0.792 177.278 176.600 -0.189 0.000 0.982 76 E CA 1.650 57.940 56.400 -0.183 0.000 0.800 76 E CB 0.227 29.838 29.700 -0.148 0.000 0.756 76 E HN 0.307 nan 8.360 nan 0.000 0.449 77 D N -0.878 119.422 120.400 -0.166 0.000 2.563 77 D HA 0.049 4.690 4.640 0.002 0.000 0.237 77 D C 0.385 176.607 176.300 -0.130 0.000 1.282 77 D CA -0.308 53.608 54.000 -0.139 0.000 0.816 77 D CB -0.215 40.525 40.800 -0.101 0.000 1.066 77 D HN 0.272 nan 8.370 nan 0.000 0.501 78 L N -0.294 120.829 121.223 -0.166 0.000 3.717 78 L HA -0.261 4.080 4.340 0.002 0.000 0.414 78 L C -0.308 176.467 176.870 -0.158 0.000 1.228 78 L CA 0.354 55.093 54.840 -0.170 0.000 0.918 78 L CB -1.168 40.831 42.059 -0.099 0.000 1.865 78 L HN 0.212 nan 8.230 nan 0.000 0.922 79 Q N 1.326 121.039 119.800 -0.145 0.000 2.294 79 Q HA 0.243 4.584 4.340 0.002 0.000 0.257 79 Q C 0.262 176.175 176.000 -0.144 0.000 0.955 79 Q CA -0.031 55.715 55.803 -0.095 0.000 0.936 79 Q CB 1.114 29.815 28.738 -0.061 0.000 1.188 79 Q HN 0.142 nan 8.270 nan 0.000 0.420 80 K N 3.458 123.785 120.400 -0.121 0.000 2.436 80 K HA 0.067 4.388 4.320 0.002 0.000 0.282 80 K C -0.359 176.232 176.600 -0.015 0.000 1.044 80 K CA -0.014 56.203 56.287 -0.116 0.000 1.028 80 K CB 0.344 32.897 32.500 0.089 0.000 0.919 80 K HN 0.620 nan 8.250 nan 0.000 0.474 81 V N 3.286 123.195 119.914 -0.009 0.000 2.735 81 V HA 0.230 4.351 4.120 0.002 0.000 0.234 81 V C 0.648 176.770 176.094 0.046 0.000 1.121 81 V CA 0.870 63.187 62.300 0.027 0.000 1.160 81 V CB -0.023 31.831 31.823 0.051 0.000 0.908 81 V HN 0.878 nan 8.190 nan 0.000 0.495 82 A N 0.391 123.249 122.820 0.062 0.000 2.437 82 A HA 0.892 5.213 4.320 0.002 0.000 0.288 82 A C -0.815 176.855 177.584 0.142 0.000 1.201 82 A CA -0.242 51.850 52.037 0.091 0.000 0.795 82 A CB 1.783 20.835 19.000 0.086 0.000 1.359 82 A HN 0.586 nan 8.150 nan 0.000 0.435 83 E N -1.797 118.499 120.200 0.161 0.000 2.417 83 E HA 0.482 4.833 4.350 0.002 0.000 0.280 83 E C -2.100 174.631 176.600 0.220 0.000 1.112 83 E CA -0.701 55.802 56.400 0.172 0.000 0.863 83 E CB 1.079 30.878 29.700 0.165 0.000 1.346 83 E HN 0.917 nan 8.360 nan 0.000 0.443 84 Y N 1.223 121.546 120.300 0.038 0.000 2.386 84 Y HA 0.411 4.962 4.550 0.002 0.000 0.334 84 Y C -1.407 174.523 175.900 0.050 0.000 1.002 84 Y CA -0.937 57.200 58.100 0.062 0.000 1.068 84 Y CB 2.053 40.575 38.460 0.103 0.000 1.203 84 Y HN 0.634 nan 8.280 nan 0.000 0.443 85 K N 4.510 124.577 120.400 -0.555 0.000 2.250 85 K HA 0.182 4.503 4.320 0.002 0.000 0.280 85 K C 0.626 176.670 176.600 -0.928 0.000 1.098 85 K CA 0.411 56.355 56.287 -0.571 0.000 0.916 85 K CB 0.709 33.058 32.500 -0.252 0.000 1.209 85 K HN 0.927 nan 8.250 nan 0.000 0.461 86 T N 1.009 115.110 114.554 -0.754 0.000 2.904 86 T HA 0.083 4.434 4.350 0.002 0.000 0.267 86 T C 1.063 175.494 174.700 -0.449 0.000 1.059 86 T CA 0.460 62.272 62.100 -0.481 0.000 1.137 86 T CB -0.488 68.258 68.868 -0.203 0.000 0.879 86 T HN 0.789 nan 8.240 nan 0.000 0.467 87 G N 2.189 110.632 108.800 -0.596 0.000 2.915 87 G HA2 -0.091 3.870 3.960 0.002 0.000 0.337 87 G HA3 -0.091 3.870 3.960 0.002 0.000 0.337 87 G C -2.963 171.680 174.900 -0.430 0.000 1.477 87 G CA -0.669 44.105 45.100 -0.544 0.000 0.916 87 G HN 0.474 nan 8.290 nan 0.000 0.550 88 P HA 0.391 nan 4.420 nan 0.000 0.273 88 P C 0.269 177.171 177.300 -0.663 0.000 1.319 88 P CA -0.364 62.444 63.100 -0.487 0.000 0.885 88 P CB 0.948 32.330 31.700 -0.530 0.000 1.015 89 V N 4.713 124.356 119.914 -0.451 0.000 3.036 89 V HA 0.213 4.334 4.120 0.002 0.000 0.308 89 V C 0.556 176.441 176.094 -0.349 0.000 1.070 89 V CA -0.528 61.551 62.300 -0.369 0.000 1.056 89 V CB 1.461 33.159 31.823 -0.209 0.000 1.084 89 V HN 0.311 nan 8.190 nan 0.000 0.471 90 L N 3.429 124.532 121.223 -0.200 0.000 2.283 90 L HA 0.441 4.782 4.340 0.002 0.000 0.281 90 L C 0.450 177.342 176.870 0.036 0.000 1.033 90 L CA 0.168 55.006 54.840 -0.004 0.000 0.848 90 L CB 0.427 42.568 42.059 0.137 0.000 1.226 90 L HN 0.644 nan 8.230 nan 0.000 0.429 112 W N 3.503 124.798 121.300 -0.009 0.000 2.433 112 W HA 0.834 5.494 4.660 0.001 0.000 0.315 112 W C -0.120 176.393 176.519 -0.011 0.000 1.087 112 W CA -0.628 56.709 57.345 -0.012 0.000 1.205 112 W CB 1.676 31.129 29.460 -0.011 0.000 1.288 112 W HN 0.480 nan 8.180 nan 0.000 0.504 113 K N 2.180 122.619 120.400 0.064 0.000 2.427 113 K HA 0.283 4.604 4.320 0.002 0.000 0.252 113 K C -0.932 175.628 176.600 -0.068 0.000 0.931 113 K CA -0.619 55.676 56.287 0.013 0.000 0.793 113 K CB 1.238 33.743 32.500 0.007 0.000 1.211 113 K HN 0.167 nan 8.250 nan 0.000 0.426 114 D N 1.164 121.545 120.400 -0.032 0.000 2.382 114 D HA 0.016 4.657 4.640 0.002 0.000 0.245 114 D C -0.077 176.184 176.300 -0.065 0.000 1.120 114 D CA 0.175 54.139 54.000 -0.060 0.000 0.890 114 D CB 0.663 41.454 40.800 -0.015 0.000 1.201 114 D HN 0.289 nan 8.370 nan 0.000 0.433 115 N N 2.448 121.087 118.700 -0.100 0.000 3.298 115 N HA 0.104 4.845 4.740 0.002 0.000 0.292 115 N C -0.596 174.890 175.510 -0.040 0.000 1.271 115 N CA -0.345 52.654 53.050 -0.084 0.000 1.184 115 N CB -0.478 37.929 38.487 -0.132 0.000 1.452 115 N HN 0.351 nan 8.380 nan 0.000 0.534 116 I N 1.305 121.872 120.570 -0.006 0.000 2.664 116 I HA -0.077 4.094 4.170 0.002 0.000 0.284 116 I C 1.283 177.423 176.117 0.037 0.000 1.154 116 I CA -0.015 61.302 61.300 0.028 0.000 1.402 116 I CB 0.010 38.034 38.000 0.040 0.000 1.395 116 I HN 0.355 nan 8.210 nan 0.000 0.545 117 N N 7.124 125.856 118.700 0.054 0.000 2.441 117 N HA 0.006 4.746 4.740 0.002 0.000 0.251 117 N C 0.286 175.841 175.510 0.075 0.000 1.242 117 N CA 0.212 53.301 53.050 0.066 0.000 0.898 117 N CB 0.875 39.413 38.487 0.085 0.000 1.100 117 N HN 0.566 nan 8.380 nan 0.000 0.443 118 M N 1.250 120.894 119.600 0.074 0.000 2.260 118 M HA 0.313 4.793 4.480 0.002 0.000 0.326 118 M C -0.387 175.965 176.300 0.087 0.000 0.930 118 M CA -0.084 55.263 55.300 0.079 0.000 1.051 118 M CB -0.164 32.477 32.600 0.067 0.000 1.748 118 M HN 0.559 nan 8.290 nan 0.000 0.606 119 A N 1.138 124.012 122.820 0.090 0.000 2.583 119 A HA 0.660 4.981 4.320 0.002 0.000 0.298 119 A C -1.926 175.711 177.584 0.089 0.000 1.055 119 A CA -0.588 51.504 52.037 0.092 0.000 0.714 119 A CB 1.383 20.442 19.000 0.098 0.000 1.277 119 A HN 0.078 nan 8.150 nan 0.000 0.406 120 L N 1.814 123.084 121.223 0.078 0.000 2.381 120 L HA 0.763 5.104 4.340 0.002 0.000 0.274 120 L C -0.787 176.108 176.870 0.042 0.000 0.988 120 L CA -0.643 54.231 54.840 0.057 0.000 0.824 120 L CB 1.250 43.352 42.059 0.070 0.000 1.263 120 L HN 0.577 nan 8.230 nan 0.000 0.410 121 V N 4.191 124.127 119.914 0.036 0.000 2.668 121 V HA 0.587 4.708 4.120 0.002 0.000 0.304 121 V C -0.410 175.702 176.094 0.029 0.000 1.071 121 V CA -0.660 61.659 62.300 0.032 0.000 0.894 121 V CB 2.880 34.716 31.823 0.022 0.000 1.008 121 V HN 0.418 nan 8.190 nan 0.000 0.425 122 V N 3.311 123.235 119.914 0.016 0.000 2.628 122 V HA 0.685 4.806 4.120 0.002 0.000 0.306 122 V C -0.924 175.210 176.094 0.066 0.000 1.045 122 V CA -0.437 61.865 62.300 0.004 0.000 0.905 122 V CB 2.112 33.898 31.823 -0.062 0.000 0.997 122 V HN 0.894 nan 8.190 nan 0.000 0.436 123 D N 1.809 122.267 120.400 0.096 0.000 2.890 123 D HA 0.262 4.903 4.640 0.002 0.000 0.233 123 D C 0.597 177.002 176.300 0.175 0.000 1.306 123 D CA -0.174 53.920 54.000 0.157 0.000 0.929 123 D CB 2.394 43.329 40.800 0.225 0.000 1.512 123 D HN 0.667 nan 8.370 nan 0.000 0.568 124 T N 0.643 115.295 114.554 0.164 0.000 3.144 124 T HA -0.023 4.328 4.350 0.002 0.000 0.249 124 T C 1.630 176.430 174.700 0.166 0.000 1.089 124 T CA -0.030 62.159 62.100 0.148 0.000 0.989 124 T CB -0.342 68.607 68.868 0.135 0.000 0.992 124 T HN 0.388 nan 8.240 nan 0.000 0.540 125 Y N 1.743 122.096 120.300 0.088 0.000 2.044 125 Y HA -0.160 4.391 4.550 0.002 0.000 0.264 125 Y C 1.888 177.771 175.900 -0.028 0.000 1.111 125 Y CA 1.277 59.382 58.100 0.009 0.000 1.088 125 Y CB -0.741 37.709 38.460 -0.017 0.000 0.981 125 Y HN 0.193 nan 8.280 nan 0.000 0.478 126 Y N 0.712 121.062 120.300 0.082 0.000 2.122 126 Y HA -0.170 4.381 4.550 0.002 0.000 0.249 126 Y C 1.118 176.983 175.900 -0.058 0.000 1.070 126 Y CA 1.303 59.376 58.100 -0.044 0.000 1.059 126 Y CB -0.642 37.835 38.460 0.028 0.000 0.988 126 Y HN 0.283 nan 8.280 nan 0.000 0.480 127 D N -1.112 119.414 120.400 0.210 0.000 2.477 127 D HA 0.152 4.793 4.640 0.002 0.000 0.234 127 D C -1.597 174.787 176.300 0.141 0.000 1.048 127 D CA -0.795 53.273 54.000 0.114 0.000 0.959 127 D CB 1.008 41.857 40.800 0.082 0.000 1.408 127 D HN -0.016 nan 8.370 nan 0.000 0.496 128 D N 0.315 120.804 120.400 0.147 0.000 2.401 128 D HA 0.256 4.897 4.640 0.002 0.000 0.254 128 D C -0.176 176.364 176.300 0.400 0.000 1.192 128 D CA 0.622 54.767 54.000 0.242 0.000 0.885 128 D CB 0.303 41.212 40.800 0.181 0.000 1.147 128 D HN 0.400 nan 8.370 nan 0.000 0.478 129 Q N 0.877 120.835 119.800 0.264 0.000 2.438 129 Q HA 0.447 4.788 4.340 0.002 0.000 0.272 129 Q C -1.686 174.178 176.000 -0.226 0.000 0.994 129 Q CA -1.119 54.580 55.803 -0.173 0.000 0.887 129 Q CB 1.157 29.828 28.738 -0.111 0.000 1.432 129 Q HN 0.321 nan 8.270 nan 0.000 0.392 130 L N 2.321 123.196 121.223 -0.581 0.000 2.399 130 L HA 0.693 5.034 4.340 0.002 0.000 0.265 130 L C -1.394 175.387 176.870 -0.147 0.000 1.089 130 L CA -0.405 54.216 54.840 -0.364 0.000 0.802 130 L CB 1.306 43.007 42.059 -0.598 0.000 1.180 130 L HN 0.792 nan 8.230 nan 0.000 0.454 131 I N 3.440 123.984 120.570 -0.044 0.000 2.497 131 I HA 0.314 4.485 4.170 0.002 0.000 0.284 131 I C -0.371 175.799 176.117 0.089 0.000 1.060 131 I CA -0.366 60.983 61.300 0.080 0.000 1.071 131 I CB 1.736 39.830 38.000 0.157 0.000 1.216 131 I HN 0.747 nan 8.210 nan 0.000 0.442 132 S N 4.278 120.039 115.700 0.102 0.000 2.672 132 S HA 0.646 5.116 4.470 0.002 0.000 0.276 132 S C -0.489 174.181 174.600 0.116 0.000 1.207 132 S CA -0.515 57.735 58.200 0.084 0.000 1.002 132 S CB 1.689 64.932 63.200 0.070 0.000 0.998 132 S HN 0.631 nan 8.310 nan 0.000 0.542 133 c N 2.175 120.835 118.600 0.100 0.000 2.478 133 c HA 0.727 5.298 4.570 0.002 0.000 0.334 133 c C 1.293 175.420 174.090 0.062 0.000 1.106 133 c CA -0.683 55.698 56.329 0.087 0.000 1.363 133 c CB 0.127 42.700 42.510 0.105 0.000 1.941 133 c HN 1.166 nan 8.230 nan 0.000 0.436 134 G N 2.325 111.149 108.800 0.040 0.000 2.608 134 G HA2 0.404 4.365 3.960 0.002 0.000 0.212 134 G HA3 0.404 4.365 3.960 0.002 0.000 0.212 134 G C 0.804 175.711 174.900 0.010 0.000 1.572 134 G CA 0.761 45.871 45.100 0.018 0.000 1.064 134 G HN 1.140 nan 8.290 nan 0.000 0.556 135 S N -3.147 112.548 115.700 -0.009 0.000 2.702 135 S HA 0.103 4.574 4.470 0.002 0.000 0.257 135 S C 1.281 175.870 174.600 -0.019 0.000 0.981 135 S CA 0.558 58.755 58.200 -0.005 0.000 1.414 135 S CB 0.320 63.525 63.200 0.009 0.000 1.239 135 S HN 0.261 nan 8.310 nan 0.000 0.676 136 V N 2.114 122.006 119.914 -0.037 0.000 2.436 136 V HA 0.222 4.343 4.120 0.002 0.000 0.240 136 V C 0.439 176.502 176.094 -0.053 0.000 1.040 136 V CA 1.025 63.299 62.300 -0.045 0.000 1.052 136 V CB -0.679 31.104 31.823 -0.067 0.000 0.707 136 V HN 0.392 nan 8.190 nan 0.000 0.469 137 N N 1.367 120.020 118.700 -0.077 0.000 2.968 137 N HA 0.264 5.005 4.740 0.002 0.000 0.271 137 N C 0.424 175.855 175.510 -0.131 0.000 1.174 137 N CA -0.094 52.888 53.050 -0.113 0.000 1.096 137 N CB -0.320 38.072 38.487 -0.159 0.000 1.403 137 N HN 0.192 nan 8.380 nan 0.000 0.522 138 R N 1.266 121.716 120.500 -0.083 0.000 3.502 138 R HA -0.211 4.130 4.340 0.002 0.000 0.266 138 R C 0.531 176.794 176.300 -0.062 0.000 1.077 138 R CA 0.741 56.801 56.100 -0.068 0.000 0.718 138 R CB -2.188 28.063 30.300 -0.081 0.000 1.120 138 R HN 0.707 nan 8.270 nan 0.000 0.457 139 G N -0.104 108.666 108.800 -0.049 0.000 2.371 139 G HA2 -0.333 3.628 3.960 0.002 0.000 0.299 139 G HA3 -0.333 3.628 3.960 0.002 0.000 0.299 139 G C 0.095 174.976 174.900 -0.032 0.000 1.014 139 G CA 0.740 45.825 45.100 -0.026 0.000 1.097 139 G HN 0.702 nan 8.290 nan 0.000 0.512 140 T N -0.810 113.702 114.554 -0.071 0.000 2.909 140 T HA 0.506 4.857 4.350 0.002 0.000 0.289 140 T C 0.964 175.659 174.700 -0.009 0.000 1.005 140 T CA -0.022 62.032 62.100 -0.077 0.000 1.084 140 T CB 0.521 69.250 68.868 -0.232 0.000 0.975 140 T HN 0.473 nan 8.240 nan 0.000 0.509 141 c N 4.231 122.861 118.600 0.050 0.000 2.398 141 c HA 0.654 5.225 4.570 0.002 0.000 0.364 141 c C 0.057 174.172 174.090 0.042 0.000 1.219 141 c CA -0.640 55.739 56.329 0.085 0.000 2.312 141 c CB 0.631 43.242 42.510 0.169 0.000 2.428 141 c HN 0.930 nan 8.230 nan 0.000 0.564 142 Q N 1.460 121.289 119.800 0.048 0.000 2.372 142 Q HA 0.642 4.983 4.340 0.002 0.000 0.273 142 Q C -1.165 174.822 176.000 -0.020 0.000 1.078 142 Q CA -0.803 54.992 55.803 -0.012 0.000 0.806 142 Q CB 1.665 30.381 28.738 -0.036 0.000 1.332 142 Q HN 0.608 nan 8.270 nan 0.000 0.435 143 R N 0.641 121.073 120.500 -0.113 0.000 2.649 143 R HA 0.380 4.721 4.340 0.002 0.000 0.270 143 R C -0.291 175.815 176.300 -0.322 0.000 1.105 143 R CA -0.437 55.588 56.100 -0.125 0.000 1.193 143 R CB 0.601 30.832 30.300 -0.115 0.000 1.120 143 R HN 0.600 nan 8.270 nan 0.000 0.561 144 H N 0.396 119.309 119.070 -0.262 0.000 2.596 144 H HA 0.106 4.663 4.556 0.002 0.000 0.240 144 H C -0.960 174.087 175.328 -0.469 0.000 1.406 144 H CA -0.302 55.515 56.048 -0.384 0.000 1.504 144 H CB 0.888 30.365 29.762 -0.475 0.000 1.688 144 H HN 0.196 nan 8.280 nan 0.000 0.546 145 V N 3.500 123.291 119.914 -0.205 0.000 2.434 145 V HA -0.080 4.041 4.120 0.002 0.000 0.281 145 V C 0.830 176.859 176.094 -0.107 0.000 1.005 145 V CA 0.645 62.869 62.300 -0.126 0.000 1.089 145 V CB -0.973 30.853 31.823 0.004 0.000 0.978 145 V HN 0.356 nan 8.190 nan 0.000 0.474 146 F N 7.044 127.016 119.950 0.037 0.000 2.589 146 F HA 0.109 4.637 4.527 0.002 0.000 0.352 146 F C -0.391 175.462 175.800 0.089 0.000 1.168 146 F CA -0.914 57.125 58.000 0.065 0.000 1.353 146 F CB -0.160 38.869 39.000 0.048 0.000 1.116 146 F HN 0.407 nan 8.300 nan 0.000 0.608 147 P HA -0.170 nan 4.420 nan 0.000 0.202 147 P C 0.596 178.069 177.300 0.289 0.000 1.149 147 P CA 2.074 65.369 63.100 0.325 0.000 0.931 147 P CB 0.155 32.183 31.700 0.546 0.000 0.762 148 H N -4.771 114.343 119.070 0.072 0.000 1.690 148 H HA 0.233 4.790 4.556 0.002 0.000 0.139 148 H C 0.969 176.216 175.328 -0.135 0.000 1.095 148 H CA 0.189 56.222 56.048 -0.024 0.000 1.028 148 H CB -0.366 29.375 29.762 -0.035 0.000 0.687 148 H HN -0.105 nan 8.280 nan 0.000 0.294 149 N N -0.575 117.976 118.700 -0.247 0.000 2.254 149 N HA 0.114 4.855 4.740 0.002 0.000 0.190 149 N C -0.709 174.602 175.510 -0.332 0.000 1.107 149 N CA 0.133 53.005 53.050 -0.298 0.000 0.869 149 N CB 0.822 39.164 38.487 -0.241 0.000 0.983 149 N HN 0.398 nan 8.380 nan 0.000 0.487 157 E N 0.422 120.575 120.200 -0.077 0.000 5.234 157 E HA -0.097 4.254 4.350 0.002 0.000 0.170 157 E C -1.770 174.670 176.600 -0.266 0.000 1.556 157 E CA 0.765 57.080 56.400 -0.141 0.000 1.185 157 E CB -1.390 28.272 29.700 -0.063 0.000 1.023 157 E HN 0.597 nan 8.360 nan 0.000 0.337 158 V N 5.805 125.493 119.914 -0.378 0.000 2.668 158 V HA 0.371 4.491 4.120 0.002 0.000 0.304 158 V C 0.528 176.341 176.094 -0.470 0.000 1.071 158 V CA -0.831 61.135 62.300 -0.556 0.000 0.894 158 V CB 2.037 33.373 31.823 -0.811 0.000 1.008 158 V HN 0.559 nan 8.190 nan 0.000 0.425 159 H N 1.365 120.233 119.070 -0.336 0.000 3.188 159 H HA 0.671 5.228 4.556 0.002 0.000 0.204 159 H C -0.475 174.730 175.328 -0.206 0.000 1.565 159 H CA -0.223 55.691 56.048 -0.222 0.000 1.695 159 H CB 1.791 31.439 29.762 -0.190 0.000 1.392 159 H HN 0.681 nan 8.280 nan 0.000 0.965 160 C N 1.085 120.410 119.300 0.041 0.000 2.989 160 C HA 0.279 4.740 4.460 0.002 0.000 0.397 160 C C -1.081 173.900 174.990 -0.016 0.000 1.022 160 C CA -0.671 58.342 59.018 -0.009 0.000 1.232 160 C CB -0.940 26.808 27.740 0.013 0.000 1.638 160 C HN 0.513 nan 8.230 nan 0.000 0.534 161 I N 6.506 127.051 120.570 -0.040 0.000 2.347 161 I HA 0.498 4.669 4.170 0.002 0.000 0.294 161 I C -0.290 175.897 176.117 0.116 0.000 1.090 161 I CA 0.730 61.984 61.300 -0.077 0.000 1.314 161 I CB -0.006 37.898 38.000 -0.162 0.000 1.423 161 I HN 0.506 nan 8.210 nan 0.000 0.503 162 F N 4.989 124.866 119.950 -0.122 0.000 3.130 162 F HA 0.287 4.815 4.527 0.002 0.000 0.349 162 F C -0.342 175.413 175.800 -0.074 0.000 1.158 162 F CA -0.622 57.335 58.000 -0.072 0.000 1.274 162 F CB 0.550 39.527 39.000 -0.038 0.000 1.594 162 F HN 0.349 nan 8.300 nan 0.000 0.720 169 P HA -0.096 nan 4.420 nan 0.000 0.224 169 P C 0.688 177.997 177.300 0.016 0.000 1.142 169 P CA 0.886 63.996 63.100 0.017 0.000 0.778 169 P CB 0.351 32.060 31.700 0.015 0.000 0.764 170 S N -1.403 114.300 115.700 0.006 0.000 2.440 170 S HA -0.115 4.356 4.470 0.002 0.000 0.238 170 S C 0.934 175.511 174.600 -0.039 0.000 1.010 170 S CA 1.065 59.259 58.200 -0.011 0.000 0.972 170 S CB -0.294 62.899 63.200 -0.012 0.000 0.774 170 S HN 0.399 nan 8.310 nan 0.000 0.501 171 Q N -1.657 118.130 119.800 -0.022 0.000 2.528 171 Q HA 0.598 4.939 4.340 0.002 0.000 0.289 171 Q C -1.517 174.513 176.000 0.050 0.000 1.091 171 Q CA -0.651 55.130 55.803 -0.036 0.000 0.797 171 Q CB 2.426 31.121 28.738 -0.072 0.000 1.466 171 Q HN 0.177 nan 8.270 nan 0.000 0.436 172 C N 1.877 121.234 119.300 0.096 0.000 3.233 172 C HA 0.375 4.836 4.460 0.002 0.000 0.299 172 C C -2.004 173.151 174.990 0.275 0.000 1.060 172 C CA -1.309 57.812 59.018 0.173 0.000 1.382 172 C CB 0.395 28.214 27.740 0.132 0.000 1.828 172 C HN 0.677 nan 8.230 nan 0.000 0.530 173 P HA -0.023 nan 4.420 nan 0.000 0.225 173 P C 0.725 178.132 177.300 0.179 0.000 1.148 173 P CA 1.416 64.679 63.100 0.273 0.000 0.779 173 P CB 0.224 31.985 31.700 0.101 0.000 0.780 174 D N -1.791 118.763 120.400 0.257 0.000 2.366 174 D HA 0.007 4.648 4.640 0.002 0.000 0.205 174 D C 0.133 176.538 176.300 0.175 0.000 1.022 174 D CA 0.333 54.521 54.000 0.314 0.000 0.868 174 D CB -0.507 40.558 40.800 0.442 0.000 0.953 174 D HN 0.152 nan 8.370 nan 0.000 0.514 175 C N 2.414 121.793 119.300 0.132 0.000 2.485 175 C HA 0.205 4.666 4.460 0.002 0.000 0.408 175 C C 2.132 177.143 174.990 0.036 0.000 1.034 175 C CA -0.751 58.293 59.018 0.043 0.000 1.267 175 C CB -1.355 26.407 27.740 0.037 0.000 1.703 175 C HN 0.041 nan 8.230 nan 0.000 0.530 176 V N 2.640 122.559 119.914 0.007 0.000 2.331 176 V HA -0.023 4.098 4.120 0.002 0.000 0.242 176 V C 1.067 177.159 176.094 -0.005 0.000 1.034 176 V CA 1.261 63.541 62.300 -0.033 0.000 1.027 176 V CB -0.247 31.520 31.823 -0.093 0.000 0.667 176 V HN 0.648 nan 8.190 nan 0.000 0.457 177 V N 0.595 120.513 119.914 0.007 0.000 2.472 177 V HA 0.446 4.567 4.120 0.002 0.000 0.290 177 V C 0.122 176.222 176.094 0.011 0.000 1.037 177 V CA -0.322 61.988 62.300 0.017 0.000 0.908 177 V CB 1.524 33.369 31.823 0.037 0.000 0.985 177 V HN 0.362 nan 8.190 nan 0.000 0.454 178 S N 3.210 118.918 115.700 0.013 0.000 2.565 178 S HA 0.493 4.964 4.470 0.002 0.000 0.274 178 S C 1.138 175.758 174.600 0.033 0.000 1.309 178 S CA 0.058 58.268 58.200 0.018 0.000 1.043 178 S CB 1.480 64.693 63.200 0.022 0.000 0.939 178 S HN 1.036 nan 8.310 nan 0.000 0.504 179 A N 4.443 127.281 122.820 0.031 0.000 2.206 179 A HA 0.297 4.618 4.320 0.002 0.000 0.211 179 A C 1.198 178.811 177.584 0.049 0.000 1.158 179 A CA 0.362 52.421 52.037 0.036 0.000 0.761 179 A CB -0.390 18.626 19.000 0.027 0.000 0.801 179 A HN 0.818 nan 8.150 nan 0.000 0.473 180 L N 0.305 121.561 121.223 0.056 0.000 2.978 180 L HA 0.381 4.722 4.340 0.002 0.000 0.239 180 L C 0.707 177.631 176.870 0.090 0.000 1.293 180 L CA 0.197 55.077 54.840 0.067 0.000 1.085 180 L CB -0.399 41.699 42.059 0.065 0.000 1.432 180 L HN 0.489 nan 8.230 nan 0.000 0.512 181 G N 0.551 109.407 108.800 0.093 0.000 3.055 181 G HA2 0.220 4.181 3.960 0.002 0.000 0.686 181 G HA3 0.220 4.181 3.960 0.002 0.000 0.686 181 G C -0.824 174.158 174.900 0.136 0.000 1.087 181 G CA -0.466 44.708 45.100 0.122 0.000 0.779 181 G HN 0.545 nan 8.290 nan 0.000 0.599 182 A N 2.251 125.151 122.820 0.134 0.000 2.594 182 A HA 0.849 5.170 4.320 0.002 0.000 0.296 182 A C -0.899 176.764 177.584 0.132 0.000 1.056 182 A CA -0.825 51.278 52.037 0.109 0.000 0.693 182 A CB 1.799 20.832 19.000 0.056 0.000 1.278 182 A HN 0.852 nan 8.150 nan 0.000 0.408 183 K N 0.990 121.484 120.400 0.156 0.000 2.345 183 K HA 0.685 5.006 4.320 0.002 0.000 0.255 183 K C -1.115 175.581 176.600 0.160 0.000 0.934 183 K CA -0.514 55.870 56.287 0.162 0.000 0.801 183 K CB 1.977 34.594 32.500 0.195 0.000 1.137 183 K HN 0.563 nan 8.250 nan 0.000 0.424 184 V N 4.032 123.994 119.914 0.079 0.000 2.540 184 V HA 0.524 4.645 4.120 0.002 0.000 0.302 184 V C -0.151 175.914 176.094 -0.049 0.000 1.035 184 V CA -0.955 61.374 62.300 0.050 0.000 0.873 184 V CB 1.891 33.736 31.823 0.035 0.000 0.992 184 V HN 0.532 nan 8.190 nan 0.000 0.428 185 L N 2.784 123.984 121.223 -0.038 0.000 2.342 185 L HA 0.674 5.015 4.340 0.002 0.000 0.271 185 L C 0.010 176.789 176.870 -0.152 0.000 1.008 185 L CA -0.328 54.459 54.840 -0.088 0.000 0.818 185 L CB 2.247 44.248 42.059 -0.097 0.000 1.296 185 L HN 0.705 nan 8.230 nan 0.000 0.427 186 S N 1.229 116.819 115.700 -0.183 0.000 2.472 186 S HA 0.706 5.177 4.470 0.002 0.000 0.303 186 S C -0.846 173.768 174.600 0.024 0.000 1.099 186 S CA -0.321 57.756 58.200 -0.205 0.000 1.077 186 S CB 1.542 64.604 63.200 -0.230 0.000 1.031 186 S HN 0.602 nan 8.310 nan 0.000 0.487 187 S N 2.723 118.509 115.700 0.144 0.000 2.533 187 S HA 0.465 4.936 4.470 0.002 0.000 0.271 187 S C -1.262 173.417 174.600 0.131 0.000 1.143 187 S CA -0.597 57.695 58.200 0.154 0.000 0.891 187 S CB 1.308 64.644 63.200 0.227 0.000 1.105 187 S HN 0.612 nan 8.310 nan 0.000 0.468 188 V N 5.341 125.275 119.914 0.033 0.000 2.112 188 V HA 0.368 4.489 4.120 0.002 0.000 0.271 188 V C -0.086 175.981 176.094 -0.044 0.000 1.465 188 V CA -0.518 61.724 62.300 -0.097 0.000 1.419 188 V CB -0.292 31.362 31.823 -0.281 0.000 1.409 188 V HN 0.533 nan 8.190 nan 0.000 0.495 189 K N 2.540 122.979 120.400 0.065 0.000 2.284 189 K HA 0.199 4.520 4.320 0.002 0.000 0.287 189 K C 0.304 176.964 176.600 0.100 0.000 1.081 189 K CA 0.035 56.378 56.287 0.093 0.000 0.910 189 K CB 0.382 32.983 32.500 0.168 0.000 1.088 189 K HN 0.552 nan 8.250 nan 0.000 0.478 190 D N 2.687 123.135 120.400 0.080 0.000 2.848 190 D HA -0.211 4.430 4.640 0.002 0.000 0.245 190 D C 0.503 176.928 176.300 0.208 0.000 1.122 190 D CA 0.904 54.976 54.000 0.119 0.000 0.769 190 D CB -0.646 40.224 40.800 0.117 0.000 1.025 190 D HN 0.897 nan 8.370 nan 0.000 0.423 191 R N -1.466 119.084 120.500 0.085 0.000 3.862 191 R HA -0.259 4.082 4.340 0.002 0.000 0.470 191 R C -0.591 175.568 176.300 -0.235 0.000 0.879 191 R CA 1.722 57.831 56.100 0.016 0.000 1.508 191 R CB -1.246 29.122 30.300 0.114 0.000 2.170 191 R HN 0.245 nan 8.270 nan 0.000 0.496 192 F N 0.079 119.958 119.950 -0.118 0.000 2.579 192 F HA 0.515 5.043 4.527 0.002 0.000 0.324 192 F C 0.583 176.352 175.800 -0.053 0.000 1.058 192 F CA -1.025 56.954 58.000 -0.035 0.000 0.944 192 F CB 1.262 40.292 39.000 0.050 0.000 1.245 192 F HN -0.158 nan 8.300 nan 0.000 0.477 193 I N 2.974 123.713 120.570 0.281 0.000 2.256 193 I HA 0.176 4.347 4.170 0.002 0.000 0.294 193 I C -0.636 175.698 176.117 0.362 0.000 1.127 193 I CA -0.420 61.049 61.300 0.282 0.000 1.247 193 I CB -0.313 37.925 38.000 0.397 0.000 1.460 193 I HN 0.479 nan 8.210 nan 0.000 0.511 194 N N 5.116 123.960 118.700 0.239 0.000 2.482 194 N HA 0.365 5.106 4.740 0.002 0.000 0.260 194 N C -0.960 174.634 175.510 0.140 0.000 1.236 194 N CA 0.314 53.405 53.050 0.068 0.000 0.938 194 N CB 0.601 38.976 38.487 -0.186 0.000 1.128 194 N HN 0.233 nan 8.380 nan 0.000 0.448 195 F N 1.233 120.920 119.950 -0.438 0.000 2.499 195 F HA 0.400 4.928 4.527 0.002 0.000 0.333 195 F C -0.972 174.566 175.800 -0.437 0.000 1.138 195 F CA -0.841 56.961 58.000 -0.330 0.000 0.945 195 F CB 0.604 39.368 39.000 -0.393 0.000 1.181 195 F HN 0.287 nan 8.300 nan 0.000 0.435 196 F N 4.073 124.075 119.950 0.087 0.000 2.334 196 F HA 0.543 5.071 4.527 0.002 0.000 0.367 196 F C -0.163 175.779 175.800 0.236 0.000 1.115 196 F CA -1.009 57.114 58.000 0.204 0.000 1.116 196 F CB 0.868 40.049 39.000 0.302 0.000 1.230 196 F HN -0.030 nan 8.300 nan 0.000 0.484 197 V N 2.598 122.641 119.914 0.215 0.000 2.417 197 V HA 0.717 4.838 4.120 0.002 0.000 0.291 197 V C 0.293 176.303 176.094 -0.141 0.000 1.024 197 V CA -0.819 61.534 62.300 0.089 0.000 0.861 197 V CB 1.673 33.508 31.823 0.020 0.000 0.985 197 V HN 0.836 nan 8.190 nan 0.000 0.436 198 G N 3.585 112.246 108.800 -0.232 0.000 2.468 198 G HA2 0.506 4.467 3.960 0.002 0.000 0.315 198 G HA3 0.506 4.467 3.960 0.002 0.000 0.315 198 G C -0.645 173.844 174.900 -0.685 0.000 1.203 198 G CA -0.471 44.103 45.100 -0.877 0.000 0.962 198 G HN 0.539 nan 8.290 nan 0.000 0.476 199 N N 1.176 119.550 118.700 -0.542 0.000 2.372 199 N HA 0.388 5.129 4.740 0.002 0.000 0.291 199 N C -0.331 175.209 175.510 0.051 0.000 1.024 199 N CA -0.303 52.652 53.050 -0.158 0.000 0.873 199 N CB 1.967 40.409 38.487 -0.074 0.000 1.206 199 N HN 0.280 nan 8.380 nan 0.000 0.486 200 T N 2.983 117.645 114.554 0.180 0.000 2.729 200 T HA 0.424 4.775 4.350 0.002 0.000 0.296 200 T C 0.676 175.449 174.700 0.120 0.000 0.928 200 T CA -0.349 61.887 62.100 0.227 0.000 1.045 200 T CB -0.236 68.762 68.868 0.218 0.000 0.902 200 T HN 0.374 nan 8.240 nan 0.000 0.500 201 I N 1.808 122.440 120.570 0.104 0.000 2.465 201 I HA 0.645 4.816 4.170 0.002 0.000 0.291 201 I C -0.286 175.866 176.117 0.059 0.000 1.014 201 I CA -1.131 60.205 61.300 0.059 0.000 1.093 201 I CB 1.852 39.870 38.000 0.029 0.000 1.267 201 I HN 0.438 nan 8.210 nan 0.000 0.431 202 N N 3.793 122.522 118.700 0.048 0.000 2.671 202 N HA 0.283 5.024 4.740 0.002 0.000 0.303 202 N C -0.602 174.932 175.510 0.040 0.000 1.277 202 N CA -0.717 52.361 53.050 0.047 0.000 0.933 202 N CB 1.214 39.728 38.487 0.045 0.000 1.190 202 N HN 0.624 nan 8.380 nan 0.000 0.600 203 S N -0.127 115.601 115.700 0.046 0.000 2.457 203 S HA 0.360 4.831 4.470 0.002 0.000 0.294 203 S C -0.361 174.291 174.600 0.085 0.000 1.201 203 S CA -0.352 57.883 58.200 0.058 0.000 1.112 203 S CB -1.194 62.043 63.200 0.062 0.000 1.018 203 S HN 0.754 nan 8.310 nan 0.000 0.511 204 S N 3.387 119.149 115.700 0.103 0.000 2.578 204 S HA 0.556 5.027 4.470 0.002 0.000 0.272 204 S C -1.186 173.539 174.600 0.208 0.000 1.145 204 S CA -0.987 57.316 58.200 0.171 0.000 0.835 204 S CB 0.521 63.776 63.200 0.091 0.000 1.104 204 S HN 0.477 nan 8.310 nan 0.000 0.458 211 L N 2.897 123.897 121.223 -0.372 0.000 4.306 211 L HA 0.058 4.399 4.340 0.002 0.000 0.236 211 L C -0.825 175.875 176.870 -0.282 0.000 1.058 211 L CA -0.462 54.237 54.840 -0.235 0.000 1.406 211 L CB 0.625 42.614 42.059 -0.117 0.000 1.921 211 L HN 0.554 nan 8.230 nan 0.000 0.720 212 H N 1.344 120.340 119.070 -0.123 0.000 2.722 212 H HA 0.150 4.707 4.556 0.002 0.000 0.328 212 H C 1.125 176.380 175.328 -0.122 0.000 1.067 212 H CA 0.484 56.447 56.048 -0.140 0.000 1.447 212 H CB 1.651 31.309 29.762 -0.174 0.000 1.469 212 H HN 0.638 nan 8.280 nan 0.000 0.544 213 S N 3.061 118.761 115.700 -0.001 0.000 2.402 213 S HA -0.000 4.471 4.470 0.002 0.000 0.229 213 S C 0.912 175.387 174.600 -0.210 0.000 1.021 213 S CA 0.690 58.855 58.200 -0.057 0.000 0.974 213 S CB 0.313 63.542 63.200 0.048 0.000 0.800 213 S HN 0.479 nan 8.310 nan 0.000 0.484 214 I N 1.426 121.904 120.570 -0.154 0.000 2.644 214 I HA 0.390 4.561 4.170 0.002 0.000 0.291 214 I C -1.339 174.669 176.117 -0.180 0.000 1.180 214 I CA -0.430 60.712 61.300 -0.263 0.000 1.040 214 I CB 2.398 40.220 38.000 -0.295 0.000 1.255 214 I HN 0.255 nan 8.210 nan 0.000 0.422 215 S N 4.328 119.947 115.700 -0.134 0.000 2.562 215 S HA 0.498 4.969 4.470 0.002 0.000 0.274 215 S C -1.025 173.557 174.600 -0.030 0.000 1.160 215 S CA -0.727 57.447 58.200 -0.043 0.000 0.933 215 S CB 1.839 65.080 63.200 0.068 0.000 1.100 215 S HN 0.212 nan 8.310 nan 0.000 0.468 216 V N 4.149 124.035 119.914 -0.047 0.000 2.180 216 V HA 0.353 4.474 4.120 0.002 0.000 0.265 216 V C 0.557 176.536 176.094 -0.191 0.000 1.214 216 V CA -0.648 61.538 62.300 -0.189 0.000 1.130 216 V CB -0.541 31.203 31.823 -0.132 0.000 1.266 216 V HN 0.883 nan 8.190 nan 0.000 0.473 217 R N 3.246 123.576 120.500 -0.284 0.000 2.265 217 R HA 0.457 4.798 4.340 0.002 0.000 0.314 217 R C 0.051 176.172 176.300 -0.298 0.000 1.053 217 R CA -0.553 55.249 56.100 -0.496 0.000 0.931 217 R CB 0.856 30.602 30.300 -0.923 0.000 1.024 217 R HN 0.689 nan 8.270 nan 0.000 0.457 218 R N 2.179 122.573 120.500 -0.176 0.000 2.528 218 R HA 0.423 4.763 4.340 0.002 0.000 0.271 218 R C -0.437 175.957 176.300 0.157 0.000 1.056 218 R CA -0.877 55.223 56.100 0.001 0.000 1.117 218 R CB 0.697 30.975 30.300 -0.037 0.000 1.085 218 R HN 0.574 nan 8.270 nan 0.000 0.530 219 L N 1.067 122.442 121.223 0.253 0.000 2.421 219 L HA 0.400 4.741 4.340 0.002 0.000 0.263 219 L C -0.802 176.151 176.870 0.137 0.000 1.122 219 L CA -0.194 54.708 54.840 0.102 0.000 0.804 219 L CB 1.037 43.112 42.059 0.027 0.000 1.150 219 L HN 0.663 nan 8.230 nan 0.000 0.457 220 K N 1.193 121.559 120.400 -0.057 0.000 2.095 220 K HA 0.319 4.639 4.320 0.002 0.000 0.252 220 K C 0.668 177.262 176.600 -0.010 0.000 0.977 220 K CA -0.244 56.079 56.287 0.060 0.000 0.900 220 K CB 0.868 33.336 32.500 -0.054 0.000 1.060 220 K HN 0.547 nan 8.250 nan 0.000 0.449 221 E N -0.443 119.831 120.200 0.124 0.000 2.347 221 E HA -0.149 4.202 4.350 0.002 0.000 0.196 221 E C 1.410 177.958 176.600 -0.087 0.000 1.008 221 E CA 1.030 57.499 56.400 0.115 0.000 0.852 221 E CB -0.144 29.662 29.700 0.177 0.000 0.783 221 E HN 0.659 nan 8.360 nan 0.000 0.505 222 T N 0.365 114.851 114.554 -0.113 0.000 2.995 222 T HA -0.124 4.227 4.350 0.002 0.000 0.269 222 T C 0.182 174.718 174.700 -0.274 0.000 1.091 222 T CA 0.611 62.615 62.100 -0.159 0.000 1.128 222 T CB -0.379 68.411 68.868 -0.129 0.000 0.891 222 T HN 0.162 nan 8.240 nan 0.000 0.492 223 K N 1.918 122.099 120.400 -0.365 0.000 3.585 223 K HA -0.123 4.198 4.320 0.002 0.000 0.275 223 K C -0.955 175.400 176.600 -0.408 0.000 1.026 223 K CA 0.683 56.696 56.287 -0.457 0.000 0.800 223 K CB -1.689 30.521 32.500 -0.483 0.000 1.401 223 K HN 0.688 nan 8.250 nan 0.000 0.453 224 D N -1.334 118.832 120.400 -0.390 0.000 3.285 224 D HA 0.291 4.932 4.640 0.002 0.000 0.314 224 D C 0.286 176.401 176.300 -0.309 0.000 1.601 224 D CA 0.326 54.136 54.000 -0.316 0.000 0.772 224 D CB 0.244 40.900 40.800 -0.240 0.000 1.312 224 D HN 0.489 nan 8.370 nan 0.000 0.550 225 G N -1.118 107.382 108.800 -0.500 0.000 2.320 225 G HA2 0.428 4.389 3.960 0.002 0.000 0.297 225 G HA3 0.428 4.389 3.960 0.002 0.000 0.297 225 G C -1.921 172.509 174.900 -0.784 0.000 1.344 225 G CA -1.075 43.747 45.100 -0.463 0.000 0.851 225 G HN 0.013 nan 8.290 nan 0.000 0.567 226 F N -0.285 119.553 119.950 -0.187 0.000 2.640 226 F HA 0.872 5.400 4.527 0.002 0.000 0.324 226 F C 0.467 176.093 175.800 -0.289 0.000 1.077 226 F CA -0.887 56.943 58.000 -0.282 0.000 0.965 226 F CB 2.633 41.400 39.000 -0.389 0.000 1.351 226 F HN 0.673 nan 8.300 nan 0.000 0.487 227 M N 0.995 120.500 119.600 -0.157 0.000 2.294 227 M HA 0.553 5.034 4.480 0.002 0.000 0.280 227 M C -2.106 174.031 176.300 -0.271 0.000 1.085 227 M CA -0.509 54.684 55.300 -0.178 0.000 0.969 227 M CB 1.563 34.124 32.600 -0.065 0.000 1.770 227 M HN 0.336 nan 8.290 nan 0.000 0.485 228 F N 1.882 121.828 119.950 -0.006 0.000 2.299 228 F HA 0.518 5.046 4.527 0.002 0.000 0.293 228 F C 0.837 176.625 175.800 -0.020 0.000 1.252 228 F CA -0.524 57.464 58.000 -0.020 0.000 1.160 228 F CB 0.278 39.283 39.000 0.009 0.000 1.405 228 F HN 0.562 nan 8.300 nan 0.000 0.517 229 L N -1.217 120.118 121.223 0.187 0.000 2.902 229 L HA 0.231 4.572 4.340 0.002 0.000 0.254 229 L C 0.206 177.116 176.870 0.066 0.000 1.115 229 L CA 0.446 55.333 54.840 0.078 0.000 0.947 229 L CB 0.311 42.382 42.059 0.019 0.000 1.369 229 L HN 0.796 nan 8.230 nan 0.000 0.538 230 T N -5.880 108.713 114.554 0.066 0.000 2.864 230 T HA 0.236 4.587 4.350 0.002 0.000 0.299 230 T C 0.415 175.074 174.700 -0.068 0.000 1.166 230 T CA -0.554 61.543 62.100 -0.005 0.000 1.007 230 T CB 1.787 70.631 68.868 -0.041 0.000 1.219 230 T HN -0.152 nan 8.240 nan 0.000 0.506 231 D N 0.048 120.389 120.400 -0.099 0.000 2.182 231 D HA -0.110 4.531 4.640 0.002 0.000 0.201 231 D C 0.927 176.858 176.300 -0.614 0.000 0.986 231 D CA 1.422 55.318 54.000 -0.174 0.000 0.847 231 D CB 0.220 40.976 40.800 -0.073 0.000 0.942 231 D HN 0.654 nan 8.370 nan 0.000 0.467 232 Q N -0.556 118.954 119.800 -0.484 0.000 2.302 232 Q HA 0.142 4.483 4.340 0.002 0.000 0.332 232 Q C 0.352 176.017 176.000 -0.558 0.000 0.913 232 Q CA -0.236 55.215 55.803 -0.587 0.000 1.098 232 Q CB 0.812 29.386 28.738 -0.273 0.000 1.236 232 Q HN 0.101 nan 8.270 nan 0.000 0.436 233 S N -0.498 114.836 115.700 -0.610 0.000 2.583 233 S HA 0.197 4.668 4.470 0.002 0.000 0.239 233 S C -0.253 174.180 174.600 -0.279 0.000 0.966 233 S CA -0.538 57.475 58.200 -0.311 0.000 0.973 233 S CB -0.322 62.862 63.200 -0.027 0.000 0.794 233 S HN 0.385 nan 8.310 nan 0.000 0.463 234 Y N -1.671 118.369 120.300 -0.433 0.000 2.521 234 Y HA 0.704 5.255 4.550 0.002 0.000 0.326 234 Y C -1.527 174.056 175.900 -0.528 0.000 1.176 234 Y CA -1.869 55.922 58.100 -0.514 0.000 1.079 234 Y CB 0.403 38.376 38.460 -0.812 0.000 1.341 234 Y HN -0.065 nan 8.280 nan 0.000 0.456 235 I N 3.711 124.040 120.570 -0.401 0.000 2.433 235 I HA 0.428 4.599 4.170 0.002 0.000 0.292 235 I C -1.048 174.960 176.117 -0.182 0.000 1.001 235 I CA -0.907 60.063 61.300 -0.550 0.000 1.119 235 I CB 1.617 39.082 38.000 -0.890 0.000 1.289 235 I HN 0.696 nan 8.210 nan 0.000 0.438 236 D N 5.137 125.502 120.400 -0.058 0.000 2.505 236 D HA 0.285 4.926 4.640 0.002 0.000 0.249 236 D C -0.328 176.060 176.300 0.147 0.000 1.082 236 D CA -0.362 53.681 54.000 0.071 0.000 0.839 236 D CB 2.920 43.783 40.800 0.104 0.000 1.317 236 D HN 0.025 nan 8.370 nan 0.000 0.497 237 V N 3.411 123.411 119.914 0.143 0.000 2.450 237 V HA 0.002 4.123 4.120 0.002 0.000 0.281 237 V C 0.954 177.170 176.094 0.203 0.000 1.019 237 V CA -0.192 62.238 62.300 0.217 0.000 1.062 237 V CB -0.215 31.683 31.823 0.124 0.000 0.979 237 V HN 0.355 nan 8.190 nan 0.000 0.477 238 L N 7.795 129.186 121.223 0.281 0.000 2.516 238 L HA 0.023 4.364 4.340 0.002 0.000 0.288 238 L C -0.992 175.892 176.870 0.022 0.000 1.246 238 L CA -0.983 53.940 54.840 0.138 0.000 0.844 238 L CB -0.162 41.976 42.059 0.131 0.000 1.106 238 L HN 0.437 nan 8.230 nan 0.000 0.509 239 P HA -0.198 nan 4.420 nan 0.000 0.216 239 P C 1.101 178.320 177.300 -0.134 0.000 1.150 239 P CA 1.354 64.398 63.100 -0.094 0.000 0.837 239 P CB 0.057 31.694 31.700 -0.104 0.000 0.786 240 E N -0.971 119.047 120.200 -0.304 0.000 2.274 240 E HA -0.112 4.239 4.350 0.002 0.000 0.194 240 E C 1.023 177.416 176.600 -0.345 0.000 0.996 240 E CA 0.929 57.089 56.400 -0.400 0.000 0.840 240 E CB -0.874 28.463 29.700 -0.605 0.000 0.772 240 E HN 0.343 nan 8.360 nan 0.000 0.491 241 F N 0.446 120.431 119.950 0.058 0.000 2.664 241 F HA 0.331 4.859 4.527 0.002 0.000 0.303 241 F C 2.112 177.950 175.800 0.063 0.000 1.092 241 F CA -0.830 57.217 58.000 0.078 0.000 1.305 241 F CB 0.279 39.342 39.000 0.105 0.000 1.054 241 F HN -0.131 nan 8.300 nan 0.000 0.565 242 R N 1.344 121.923 120.500 0.131 0.000 2.115 242 R HA -0.228 4.113 4.340 0.002 0.000 0.239 242 R C 1.741 178.096 176.300 0.091 0.000 1.133 242 R CA 2.367 58.518 56.100 0.084 0.000 0.935 242 R CB -0.581 29.732 30.300 0.022 0.000 0.853 242 R HN 0.137 nan 8.270 nan 0.000 0.433 243 D N -1.374 119.074 120.400 0.080 0.000 2.388 243 D HA 0.058 4.699 4.640 0.002 0.000 0.208 243 D C 1.524 177.858 176.300 0.056 0.000 1.035 243 D CA 0.841 54.878 54.000 0.062 0.000 0.875 243 D CB 0.174 41.000 40.800 0.043 0.000 0.984 243 D HN 0.304 nan 8.370 nan 0.000 0.508 244 S N -0.508 115.251 115.700 0.098 0.000 2.426 244 S HA -0.196 4.274 4.470 0.002 0.000 0.220 244 S C 0.792 175.379 174.600 -0.023 0.000 1.040 244 S CA 0.773 59.024 58.200 0.085 0.000 1.094 244 S CB -0.706 62.636 63.200 0.237 0.000 1.072 244 S HN 0.247 nan 8.310 nan 0.000 0.415 245 Y N 3.227 123.593 120.300 0.110 0.000 2.575 245 Y HA 0.552 5.103 4.550 0.002 0.000 0.326 245 Y C -2.530 173.416 175.900 0.076 0.000 0.979 245 Y CA -2.429 55.715 58.100 0.072 0.000 1.286 245 Y CB 1.276 39.726 38.460 -0.016 0.000 1.093 245 Y HN 0.293 nan 8.280 nan 0.000 0.501 246 P HA 0.233 nan 4.420 nan 0.000 0.275 246 P C -0.649 176.735 177.300 0.141 0.000 1.270 246 P CA -0.172 63.017 63.100 0.148 0.000 0.791 246 P CB 1.205 32.980 31.700 0.126 0.000 1.089 247 I N 0.184 120.801 120.570 0.079 0.000 2.466 247 I HA 0.228 4.399 4.170 0.002 0.000 0.279 247 I C 0.077 176.166 176.117 -0.047 0.000 1.033 247 I CA -0.953 60.322 61.300 -0.042 0.000 1.123 247 I CB 1.212 39.094 38.000 -0.197 0.000 1.237 247 I HN -0.009 nan 8.210 nan 0.000 0.460 248 K N 5.828 126.220 120.400 -0.013 0.000 2.316 248 K HA 0.259 4.580 4.320 0.002 0.000 0.289 248 K C -0.955 175.639 176.600 -0.010 0.000 1.070 248 K CA -0.267 56.050 56.287 0.051 0.000 0.928 248 K CB 0.491 33.026 32.500 0.057 0.000 1.039 248 K HN 0.321 nan 8.250 nan 0.000 0.480 249 Y N 2.196 122.578 120.300 0.137 0.000 2.452 249 Y HA 0.001 4.552 4.550 0.002 0.000 0.348 249 Y C 1.557 177.567 175.900 0.183 0.000 0.985 249 Y CA -0.201 58.014 58.100 0.191 0.000 1.214 249 Y CB 0.759 39.356 38.460 0.229 0.000 1.136 249 Y HN 0.292 nan 8.280 nan 0.000 0.523 250 V N 2.598 122.672 119.914 0.267 0.000 2.331 250 V HA -0.084 4.037 4.120 0.002 0.000 0.242 250 V C 0.410 176.676 176.094 0.288 0.000 1.034 250 V CA 1.300 63.729 62.300 0.214 0.000 1.027 250 V CB -0.167 31.733 31.823 0.129 0.000 0.667 250 V HN 0.733 nan 8.190 nan 0.000 0.457 251 H N -1.659 117.517 119.070 0.177 0.000 3.014 251 H HA 0.647 5.204 4.556 0.002 0.000 0.337 251 H C -1.518 173.838 175.328 0.046 0.000 1.320 251 H CA 0.078 56.204 56.048 0.129 0.000 1.128 251 H CB 2.098 31.934 29.762 0.124 0.000 1.862 251 H HN 0.255 nan 8.280 nan 0.000 0.536 252 A N 2.150 124.450 122.820 -0.866 0.000 2.587 252 A HA 0.691 5.012 4.320 0.002 0.000 0.293 252 A C -1.871 175.326 177.584 -0.644 0.000 1.087 252 A CA -0.316 51.195 52.037 -0.877 0.000 0.692 252 A CB 1.717 19.782 19.000 -1.559 0.000 1.291 252 A HN 0.598 nan 8.150 nan 0.000 0.407 253 F N -1.247 118.432 119.950 -0.452 0.000 2.741 253 F HA 0.779 5.307 4.527 0.002 0.000 0.311 253 F C -0.919 174.780 175.800 -0.169 0.000 1.149 253 F CA -0.689 57.166 58.000 -0.241 0.000 0.930 253 F CB 1.201 40.166 39.000 -0.059 0.000 1.312 253 F HN 0.709 nan 8.300 nan 0.000 0.450 254 E N 1.074 121.321 120.200 0.078 0.000 2.195 254 E HA 0.670 5.021 4.350 0.002 0.000 0.271 254 E C -1.542 175.184 176.600 0.210 0.000 0.923 254 E CA -0.703 55.710 56.400 0.022 0.000 0.790 254 E CB 1.888 31.524 29.700 -0.107 0.000 1.155 254 E HN 0.856 nan 8.360 nan 0.000 0.402 255 S N 3.436 119.287 115.700 0.251 0.000 2.560 255 S HA 0.229 4.700 4.470 0.002 0.000 0.283 255 S C -1.214 173.572 174.600 0.310 0.000 1.141 255 S CA -0.547 57.801 58.200 0.247 0.000 0.902 255 S CB 0.566 63.904 63.200 0.231 0.000 1.104 255 S HN 0.745 nan 8.310 nan 0.000 0.454 256 N N 3.058 121.881 118.700 0.205 0.000 2.725 256 N HA -0.170 4.571 4.740 0.002 0.000 0.249 256 N C 0.199 175.808 175.510 0.165 0.000 1.103 256 N CA 1.487 54.676 53.050 0.232 0.000 0.707 256 N CB -1.576 37.120 38.487 0.350 0.000 1.043 256 N HN 0.791 nan 8.380 nan 0.000 0.553 257 N N -3.514 115.198 118.700 0.020 0.000 2.967 257 N HA -0.231 4.510 4.740 0.002 0.000 0.218 257 N C -0.336 174.972 175.510 -0.337 0.000 0.870 257 N CA 1.574 54.515 53.050 -0.181 0.000 1.030 257 N CB -1.417 36.898 38.487 -0.287 0.000 1.027 257 N HN 0.478 nan 8.380 nan 0.000 0.603 258 F N 1.038 120.945 119.950 -0.072 0.000 2.378 258 F HA 0.570 5.098 4.527 0.002 0.000 0.325 258 F C 1.102 176.636 175.800 -0.443 0.000 1.097 258 F CA -0.634 57.192 58.000 -0.289 0.000 1.079 258 F CB 0.852 39.634 39.000 -0.363 0.000 1.240 258 F HN -0.212 nan 8.300 nan 0.000 0.519 259 I N 2.124 122.299 120.570 -0.659 0.000 2.441 259 I HA 0.315 4.486 4.170 0.002 0.000 0.295 259 I C -0.852 174.619 176.117 -1.077 0.000 0.994 259 I CA -1.037 59.752 61.300 -0.853 0.000 1.144 259 I CB 1.368 38.698 38.000 -1.117 0.000 1.314 259 I HN 0.488 nan 8.210 nan 0.000 0.445 260 Y N 4.839 124.649 120.300 -0.816 0.000 2.536 260 Y HA 0.599 5.150 4.550 0.002 0.000 0.347 260 Y C -0.698 174.818 175.900 -0.640 0.000 1.000 260 Y CA -0.854 56.792 58.100 -0.756 0.000 1.051 260 Y CB 2.182 39.887 38.460 -1.259 0.000 1.259 260 Y HN 0.268 nan 8.280 nan 0.000 0.468 261 F N 2.097 121.979 119.950 -0.113 0.000 2.585 261 F HA 0.475 5.003 4.527 0.002 0.000 0.319 261 F C -1.110 174.767 175.800 0.129 0.000 1.165 261 F CA -0.765 57.274 58.000 0.065 0.000 0.949 261 F CB 1.389 40.539 39.000 0.250 0.000 1.218 261 F HN 0.154 nan 8.300 nan 0.000 0.453 262 L N 3.962 125.362 121.223 0.295 0.000 2.265 262 L HA 0.621 4.962 4.340 0.002 0.000 0.288 262 L C 0.083 177.076 176.870 0.204 0.000 1.058 262 L CA -0.405 54.573 54.840 0.231 0.000 0.809 262 L CB 1.303 43.482 42.059 0.199 0.000 1.179 262 L HN 0.677 nan 8.230 nan 0.000 0.429 263 T N 0.257 114.885 114.554 0.123 0.000 2.906 263 T HA 0.677 5.028 4.350 0.002 0.000 0.295 263 T C -0.548 174.184 174.700 0.053 0.000 1.061 263 T CA -0.714 61.390 62.100 0.006 0.000 1.000 263 T CB 2.163 70.909 68.868 -0.203 0.000 1.103 263 T HN 0.127 nan 8.240 nan 0.000 0.486 264 V N 3.723 123.662 119.914 0.041 0.000 2.483 264 V HA 0.695 4.816 4.120 0.002 0.000 0.295 264 V C -0.026 176.166 176.094 0.163 0.000 1.035 264 V CA -0.383 61.993 62.300 0.127 0.000 0.896 264 V CB 1.056 32.938 31.823 0.097 0.000 0.986 264 V HN 1.157 nan 8.190 nan 0.000 0.447 265 Q N 3.850 123.831 119.800 0.301 0.000 2.832 265 Q HA 0.500 4.841 4.340 0.002 0.000 0.329 265 Q C -0.759 175.444 176.000 0.340 0.000 0.816 265 Q CA -1.294 54.706 55.803 0.328 0.000 0.804 265 Q CB 1.309 30.110 28.738 0.105 0.000 1.376 265 Q HN 0.645 nan 8.270 nan 0.000 0.503 266 R N 0.276 120.789 120.500 0.022 0.000 2.827 266 R HA 0.093 4.434 4.340 0.002 0.000 0.269 266 R C 0.002 176.162 176.300 -0.233 0.000 1.048 266 R CA 0.241 56.082 56.100 -0.432 0.000 1.173 266 R CB 0.398 30.216 30.300 -0.802 0.000 1.070 266 R HN 0.794 nan 8.270 nan 0.000 0.498 267 E N -0.047 120.005 120.200 -0.246 0.000 2.051 267 E HA -0.058 4.293 4.350 0.002 0.000 0.189 267 E C 0.245 176.710 176.600 -0.226 0.000 0.979 267 E CA 1.795 58.135 56.400 -0.099 0.000 0.803 267 E CB 0.225 29.950 29.700 0.041 0.000 0.761 267 E HN 0.858 nan 8.360 nan 0.000 0.451 268 T N -2.813 111.579 114.554 -0.270 0.000 2.681 268 T HA 0.383 4.734 4.350 0.002 0.000 0.296 268 T C -0.318 174.176 174.700 -0.343 0.000 1.157 268 T CA -0.897 61.056 62.100 -0.245 0.000 1.025 268 T CB 0.604 69.374 68.868 -0.163 0.000 1.441 268 T HN -0.074 nan 8.240 nan 0.000 0.504 269 L N 2.584 123.641 121.223 -0.276 0.000 2.559 269 L HA 0.158 4.499 4.340 0.002 0.000 0.274 269 L C 1.167 177.894 176.870 -0.238 0.000 1.205 269 L CA 1.319 55.990 54.840 -0.281 0.000 0.907 269 L CB -0.309 41.598 42.059 -0.253 0.000 1.153 269 L HN 1.190 nan 8.230 nan 0.000 0.490 270 D N 0.800 121.061 120.400 -0.231 0.000 2.921 270 D HA -0.255 4.386 4.640 0.002 0.000 0.202 270 D C 0.293 176.487 176.300 -0.177 0.000 1.082 270 D CA 1.325 55.299 54.000 -0.044 0.000 1.014 270 D CB -1.046 39.801 40.800 0.078 0.000 1.120 270 D HN 0.646 nan 8.370 nan 0.000 0.416 271 A N -0.060 122.531 122.820 -0.382 0.000 2.520 271 A HA 0.234 4.555 4.320 0.002 0.000 0.245 271 A C 1.516 178.915 177.584 -0.308 0.000 1.072 271 A CA 0.464 52.330 52.037 -0.285 0.000 0.761 271 A CB 0.479 19.317 19.000 -0.269 0.000 1.004 271 A HN 0.252 nan 8.150 nan 0.000 0.499 272 Q N 1.232 120.977 119.800 -0.092 0.000 1.975 272 Q HA -0.103 4.238 4.340 0.002 0.000 0.205 272 Q C 1.415 177.394 176.000 -0.034 0.000 0.990 272 Q CA 2.010 57.823 55.803 0.017 0.000 0.845 272 Q CB -1.063 27.709 28.738 0.056 0.000 0.913 272 Q HN 1.007 nan 8.270 nan 0.000 0.420 273 T N -1.288 113.253 114.554 -0.021 0.000 2.802 273 T HA 0.275 4.626 4.350 0.002 0.000 0.305 273 T C 0.351 175.023 174.700 -0.047 0.000 1.053 273 T CA -0.432 61.709 62.100 0.069 0.000 1.058 273 T CB 0.380 69.300 68.868 0.086 0.000 0.988 273 T HN -0.088 nan 8.240 nan 0.000 0.539 274 F N -0.448 119.573 119.950 0.117 0.000 2.450 274 F HA 0.549 5.077 4.527 0.002 0.000 0.361 274 F C 1.330 177.234 175.800 0.173 0.000 1.092 274 F CA -0.704 57.384 58.000 0.148 0.000 1.105 274 F CB 0.945 40.038 39.000 0.155 0.000 1.458 274 F HN 0.740 nan 8.300 nan 0.000 0.496 275 H N -1.320 117.930 119.070 0.300 0.000 4.305 275 H HA 0.465 5.022 4.556 0.002 0.000 0.439 275 H C -1.391 174.061 175.328 0.207 0.000 1.266 275 H CA -0.201 55.960 56.048 0.188 0.000 0.824 275 H CB 1.687 31.518 29.762 0.115 0.000 0.972 275 H HN 0.408 nan 8.280 nan 0.000 0.791 276 T N 0.914 115.722 114.554 0.424 0.000 3.633 276 T HA 0.232 4.583 4.350 0.002 0.000 0.441 276 T C -1.471 173.460 174.700 0.385 0.000 1.224 276 T CA -0.584 61.708 62.100 0.321 0.000 1.054 276 T CB 0.600 69.636 68.868 0.280 0.000 1.388 276 T HN 0.514 nan 8.240 nan 0.000 0.430 277 R N 2.002 122.668 120.500 0.277 0.000 2.808 277 R HA 0.735 5.076 4.340 0.002 0.000 0.272 277 R C -0.834 175.566 176.300 0.166 0.000 0.995 277 R CA -0.961 55.276 56.100 0.228 0.000 0.917 277 R CB 2.541 32.968 30.300 0.211 0.000 1.217 277 R HN 0.555 nan 8.270 nan 0.000 0.471 278 I N 1.646 122.310 120.570 0.156 0.000 2.566 278 I HA 0.433 4.604 4.170 0.002 0.000 0.303 278 I C -1.100 175.164 176.117 0.245 0.000 0.983 278 I CA -0.972 60.447 61.300 0.199 0.000 1.235 278 I CB 1.131 39.242 38.000 0.185 0.000 1.386 278 I HN 0.459 nan 8.210 nan 0.000 0.494 279 I N 6.786 127.482 120.570 0.210 0.000 2.512 279 I HA 0.466 4.637 4.170 0.002 0.000 0.287 279 I C -0.408 175.620 176.117 -0.148 0.000 1.069 279 I CA -0.259 61.064 61.300 0.039 0.000 1.056 279 I CB 1.595 39.661 38.000 0.110 0.000 1.229 279 I HN 0.458 nan 8.210 nan 0.000 0.429 280 R N 6.442 126.691 120.500 -0.418 0.000 2.686 280 R HA 0.838 5.179 4.340 0.002 0.000 0.286 280 R C -1.968 174.120 176.300 -0.354 0.000 0.969 280 R CA -0.665 54.987 56.100 -0.745 0.000 0.898 280 R CB 1.927 31.583 30.300 -1.073 0.000 1.183 280 R HN 0.564 nan 8.270 nan 0.000 0.456 281 F N 0.812 120.595 119.950 -0.278 0.000 2.683 281 F HA 0.288 4.816 4.527 0.002 0.000 0.333 281 F C -0.723 175.105 175.800 0.047 0.000 1.160 281 F CA -1.525 56.447 58.000 -0.045 0.000 1.099 281 F CB -0.160 38.848 39.000 0.014 0.000 1.344 281 F HN 0.506 nan 8.300 nan 0.000 0.534 282 C N 1.251 120.686 119.300 0.225 0.000 2.585 282 C HA 0.774 5.235 4.460 0.002 0.000 0.406 282 C C 0.501 175.617 174.990 0.209 0.000 1.312 282 C CA -0.289 58.729 59.018 -0.001 0.000 1.924 282 C CB 0.211 27.804 27.740 -0.246 0.000 2.578 282 C HN 1.024 nan 8.230 nan 0.000 0.580 283 S N 2.685 118.493 115.700 0.180 0.000 2.472 283 S HA 0.837 5.308 4.470 0.002 0.000 0.303 283 S C -0.947 173.804 174.600 0.252 0.000 1.099 283 S CA -0.549 57.831 58.200 0.299 0.000 1.077 283 S CB 0.286 63.748 63.200 0.436 0.000 1.031 283 S HN 0.687 nan 8.310 nan 0.000 0.487 284 I N 4.983 125.747 120.570 0.324 0.000 2.512 284 I HA 0.502 4.673 4.170 0.002 0.000 0.287 284 I C 0.328 176.544 176.117 0.165 0.000 1.069 284 I CA -0.326 61.082 61.300 0.180 0.000 1.056 284 I CB 1.763 39.805 38.000 0.071 0.000 1.229 284 I HN 0.775 nan 8.210 nan 0.000 0.429 285 N N 2.600 121.356 118.700 0.092 0.000 3.371 285 N HA -0.264 4.477 4.740 0.002 0.000 0.225 285 N C 0.437 175.958 175.510 0.019 0.000 0.158 285 N CA 1.851 54.917 53.050 0.027 0.000 3.732 285 N CB -0.879 37.611 38.487 0.005 0.000 1.091 285 N HN 0.637 nan 8.380 nan 0.000 0.250 286 S N 0.469 116.207 115.700 0.063 0.000 2.571 286 S HA 0.642 5.113 4.470 0.002 0.000 0.238 286 S C 0.566 175.186 174.600 0.033 0.000 1.153 286 S CA 0.154 58.370 58.200 0.026 0.000 1.141 286 S CB 0.558 63.765 63.200 0.010 0.000 1.133 286 S HN 0.701 nan 8.310 nan 0.000 0.464 287 G N 2.341 111.143 108.800 0.003 0.000 2.913 287 G HA2 0.434 4.394 3.960 0.002 0.000 0.145 287 G HA3 0.434 4.394 3.960 0.002 0.000 0.145 287 G C -0.123 174.316 174.900 -0.769 0.000 1.801 287 G CA -0.291 44.641 45.100 -0.279 0.000 1.033 287 G HN 1.107 nan 8.290 nan 0.000 0.495 288 L N 0.172 121.091 121.223 -0.506 0.000 3.523 288 L HA -0.139 4.202 4.340 0.002 0.000 0.668 288 L C 0.516 177.081 176.870 -0.508 0.000 1.211 288 L CA 0.365 54.910 54.840 -0.493 0.000 1.096 288 L CB -1.688 40.036 42.059 -0.558 0.000 1.617 288 L HN 0.714 nan 8.230 nan 0.000 0.873 289 H N -2.208 116.923 119.070 0.102 0.000 3.266 289 H HA 0.314 4.871 4.556 0.002 0.000 0.246 289 H C 1.188 176.581 175.328 0.109 0.000 0.998 289 H CA 0.706 56.796 56.048 0.071 0.000 1.152 289 H CB 0.865 30.660 29.762 0.054 0.000 1.466 289 H HN 0.440 nan 8.280 nan 0.000 0.481 290 S N 0.861 116.718 115.700 0.261 0.000 2.664 290 S HA 0.079 4.550 4.470 0.002 0.000 0.245 290 S C -0.000 174.714 174.600 0.189 0.000 1.019 290 S CA -0.512 57.814 58.200 0.211 0.000 0.996 290 S CB -0.109 63.220 63.200 0.216 0.000 0.878 290 S HN 0.286 nan 8.310 nan 0.000 0.493 291 Y N 2.909 123.271 120.300 0.102 0.000 2.904 291 Y HA 0.169 4.720 4.550 0.002 0.000 0.336 291 Y C -0.103 175.844 175.900 0.079 0.000 1.263 291 Y CA 0.755 58.900 58.100 0.074 0.000 1.547 291 Y CB 0.213 38.603 38.460 -0.116 0.000 1.272 291 Y HN 0.314 nan 8.280 nan 0.000 0.596 292 M N 5.786 125.131 119.600 -0.426 0.000 2.431 292 M HA 0.200 4.681 4.480 0.002 0.000 0.213 292 M C -2.009 174.207 176.300 -0.140 0.000 0.955 292 M CA -0.232 55.001 55.300 -0.112 0.000 0.844 292 M CB 0.926 33.486 32.600 -0.067 0.000 2.440 292 M HN 0.723 nan 8.290 nan 0.000 0.434 293 E N 3.919 124.180 120.200 0.103 0.000 2.314 293 E HA 0.742 5.093 4.350 0.002 0.000 0.262 293 E C -0.969 175.871 176.600 0.400 0.000 1.093 293 E CA -0.694 55.827 56.400 0.201 0.000 0.908 293 E CB 2.229 32.056 29.700 0.211 0.000 1.091 293 E HN 0.723 nan 8.360 nan 0.000 0.425 294 M N 1.402 121.181 119.600 0.298 0.000 2.333 294 M HA 0.264 4.745 4.480 0.002 0.000 0.286 294 M C -2.875 173.511 176.300 0.144 0.000 1.113 294 M CA -1.844 53.565 55.300 0.180 0.000 0.959 294 M CB 2.399 34.894 32.600 -0.175 0.000 1.776 294 M HN 0.128 nan 8.290 nan 0.000 0.492 295 P HA 0.288 nan 4.420 nan 0.000 0.271 295 P C -1.420 175.955 177.300 0.125 0.000 1.216 295 P CA 0.003 63.313 63.100 0.350 0.000 0.771 295 P CB 0.419 32.400 31.700 0.469 0.000 0.864 296 L N 3.454 124.735 121.223 0.097 0.000 2.343 296 L HA 0.401 4.742 4.340 0.002 0.000 0.278 296 L C 0.262 177.138 176.870 0.010 0.000 0.996 296 L CA -0.307 54.536 54.840 0.006 0.000 0.831 296 L CB 1.549 43.550 42.059 -0.096 0.000 1.232 296 L HN 0.277 nan 8.230 nan 0.000 0.413 297 E N 2.533 122.715 120.200 -0.030 0.000 2.185 297 E HA 0.258 4.609 4.350 0.002 0.000 0.261 297 E C -1.333 175.135 176.600 -0.219 0.000 0.879 297 E CA -0.520 55.806 56.400 -0.123 0.000 0.756 297 E CB 2.499 32.160 29.700 -0.064 0.000 1.152 297 E HN 0.424 nan 8.360 nan 0.000 0.416 298 c N 5.368 123.660 118.600 -0.513 0.000 2.265 298 c HA 0.560 5.131 4.570 0.002 0.000 0.332 298 c C -0.377 173.684 174.090 -0.049 0.000 1.248 298 c CA -0.481 55.560 56.329 -0.480 0.000 1.727 298 c CB -1.796 40.095 42.510 -1.032 0.000 2.348 298 c HN 0.646 nan 8.230 nan 0.000 0.519 299 I N 4.380 124.949 120.570 -0.002 0.000 3.108 299 I HA 0.948 5.119 4.170 0.002 0.000 0.312 299 I C -0.891 175.300 176.117 0.122 0.000 1.095 299 I CA -1.290 60.099 61.300 0.148 0.000 1.000 299 I CB 1.736 39.773 38.000 0.061 0.000 1.229 299 I HN 0.468 nan 8.210 nan 0.000 0.454 300 L N 1.758 123.096 121.223 0.192 0.000 3.055 300 L HA 0.470 4.811 4.340 0.002 0.000 0.261 300 L C -0.109 176.840 176.870 0.132 0.000 0.939 300 L CA 0.098 55.021 54.840 0.138 0.000 1.091 300 L CB 1.045 43.193 42.059 0.147 0.000 1.690 300 L HN 1.016 nan 8.230 nan 0.000 0.520 313 V N 3.676 123.535 119.914 -0.093 0.000 2.790 313 V HA -0.074 4.047 4.120 0.002 0.000 0.304 313 V C 0.180 176.149 176.094 -0.209 0.000 1.142 313 V CA 1.022 63.283 62.300 -0.065 0.000 1.282 313 V CB -0.534 31.261 31.823 -0.048 0.000 0.877 313 V HN 0.499 nan 8.190 nan 0.000 0.504 314 F N 4.491 124.432 119.950 -0.015 0.000 2.371 314 F HA 0.310 4.838 4.527 0.002 0.000 0.343 314 F C 1.187 177.056 175.800 0.114 0.000 1.150 314 F CA -0.921 57.112 58.000 0.055 0.000 1.220 314 F CB 0.317 39.364 39.000 0.077 0.000 1.475 314 F HN 0.612 nan 8.300 nan 0.000 0.521 315 N N 0.955 119.773 118.700 0.196 0.000 2.006 315 N HA -0.176 4.565 4.740 0.002 0.000 0.196 315 N C 0.475 176.170 175.510 0.309 0.000 1.057 315 N CA 1.037 54.202 53.050 0.191 0.000 0.853 315 N CB -0.539 38.023 38.487 0.125 0.000 1.051 315 N HN 0.213 nan 8.380 nan 0.000 0.423 316 I N 1.249 121.966 120.570 0.246 0.000 2.741 316 I HA -0.044 4.127 4.170 0.002 0.000 0.288 316 I C 0.158 176.380 176.117 0.175 0.000 1.192 316 I CA -0.172 61.238 61.300 0.183 0.000 1.426 316 I CB -0.316 37.745 38.000 0.101 0.000 1.367 316 I HN 0.257 nan 8.210 nan 0.000 0.563 317 L N 7.932 129.182 121.223 0.044 0.000 2.326 317 L HA 0.268 4.609 4.340 0.002 0.000 0.278 317 L C 0.823 177.620 176.870 -0.122 0.000 1.092 317 L CA 0.498 55.209 54.840 -0.215 0.000 0.810 317 L CB 0.921 42.803 42.059 -0.294 0.000 1.153 317 L HN 0.603 nan 8.230 nan 0.000 0.439 318 Q N 4.180 123.886 119.800 -0.157 0.000 2.391 318 Q HA 0.540 4.881 4.340 0.002 0.000 0.243 318 Q C -0.204 175.755 176.000 -0.067 0.000 0.874 318 Q CA 0.691 56.452 55.803 -0.070 0.000 0.950 318 Q CB 0.934 29.646 28.738 -0.043 0.000 1.103 318 Q HN 0.746 nan 8.270 nan 0.000 0.544 319 A N -0.169 122.581 122.820 -0.117 0.000 2.522 319 A HA 0.743 5.064 4.320 0.002 0.000 0.294 319 A C -1.812 175.691 177.584 -0.135 0.000 1.001 319 A CA -0.025 51.961 52.037 -0.085 0.000 0.642 319 A CB 0.554 19.520 19.000 -0.058 0.000 1.326 319 A HN 0.111 nan 8.150 nan 0.000 0.435 320 A N -0.229 122.494 122.820 -0.163 0.000 2.594 320 A HA 0.841 5.162 4.320 0.002 0.000 0.295 320 A C -1.740 175.699 177.584 -0.242 0.000 1.071 320 A CA -0.357 51.563 52.037 -0.195 0.000 0.685 320 A CB 1.231 20.096 19.000 -0.225 0.000 1.285 320 A HN 2.205 nan 8.150 nan 0.000 0.405 321 Y N 0.378 120.542 120.300 -0.226 0.000 2.544 321 Y HA 0.603 5.154 4.550 0.002 0.000 0.342 321 Y C -1.546 174.319 175.900 -0.058 0.000 1.062 321 Y CA -0.874 57.127 58.100 -0.164 0.000 1.023 321 Y CB 2.164 40.591 38.460 -0.056 0.000 1.308 321 Y HN 0.632 nan 8.280 nan 0.000 0.457 322 V N 5.611 125.033 119.914 -0.820 0.000 2.407 322 V HA 0.679 4.800 4.120 0.002 0.000 0.291 322 V C -0.497 175.244 176.094 -0.587 0.000 1.018 322 V CA 0.040 61.967 62.300 -0.622 0.000 0.842 322 V CB 0.796 32.181 31.823 -0.729 0.000 0.996 322 V HN 0.868 nan 8.190 nan 0.000 0.426 323 S N 5.272 120.877 115.700 -0.159 0.000 2.903 323 S HA 0.741 5.212 4.470 0.002 0.000 0.314 323 S C -0.959 173.690 174.600 0.082 0.000 1.177 323 S CA -1.050 57.152 58.200 0.002 0.000 0.859 323 S CB 2.083 65.402 63.200 0.197 0.000 1.265 323 S HN 0.350 nan 8.310 nan 0.000 0.584 324 K N 0.886 121.353 120.400 0.112 0.000 2.106 324 K HA 0.648 4.968 4.320 0.002 0.000 0.246 324 K C -2.886 173.808 176.600 0.157 0.000 0.987 324 K CA -2.356 53.980 56.287 0.081 0.000 0.904 324 K CB 0.228 32.753 32.500 0.042 0.000 1.071 324 K HN 0.431 nan 8.250 nan 0.000 0.453 325 P HA 0.178 nan 4.420 nan 0.000 0.290 325 P C -0.163 177.184 177.300 0.078 0.000 1.276 325 P CA -0.485 62.687 63.100 0.119 0.000 0.808 325 P CB 0.805 32.531 31.700 0.044 0.000 0.966 326 G N 1.839 110.683 108.800 0.073 0.000 2.491 326 G HA2 0.240 4.201 3.960 0.002 0.000 0.238 326 G HA3 0.240 4.201 3.960 0.002 0.000 0.238 326 G C 1.261 176.182 174.900 0.035 0.000 1.277 326 G CA 0.089 45.218 45.100 0.049 0.000 0.851 326 G HN 0.513 nan 8.290 nan 0.000 0.573 327 A N 1.060 123.899 122.820 0.032 0.000 1.997 327 A HA -0.206 4.115 4.320 0.002 0.000 0.221 327 A C 2.184 179.776 177.584 0.013 0.000 1.172 327 A CA 2.202 54.251 52.037 0.021 0.000 0.645 327 A CB -0.429 18.585 19.000 0.023 0.000 0.813 327 A HN 0.752 nan 8.150 nan 0.000 0.454 328 Q N -1.265 118.545 119.800 0.016 0.000 2.049 328 Q HA -0.068 4.273 4.340 0.002 0.000 0.198 328 Q C 1.929 177.926 176.000 -0.005 0.000 0.971 328 Q CA 0.954 56.761 55.803 0.006 0.000 0.833 328 Q CB -0.155 28.590 28.738 0.011 0.000 0.896 328 Q HN 0.505 nan 8.270 nan 0.000 0.434 329 L N 0.532 121.756 121.223 0.000 0.000 2.265 329 L HA -0.044 4.297 4.340 0.002 0.000 0.215 329 L C 2.036 178.893 176.870 -0.022 0.000 1.117 329 L CA 1.647 56.482 54.840 -0.009 0.000 0.782 329 L CB -1.228 40.846 42.059 0.025 0.000 0.914 329 L HN 0.267 nan 8.230 nan 0.000 0.441 330 A N -0.618 122.194 122.820 -0.013 0.000 2.168 330 A HA -0.131 4.190 4.320 0.002 0.000 0.215 330 A C 2.228 179.791 177.584 -0.034 0.000 1.152 330 A CA 0.686 52.709 52.037 -0.024 0.000 0.716 330 A CB -0.298 18.697 19.000 -0.010 0.000 0.794 330 A HN 0.464 nan 8.150 nan 0.000 0.465 331 R N -0.709 119.772 120.500 -0.032 0.000 2.128 331 R HA 0.025 4.366 4.340 0.002 0.000 0.211 331 R C 1.992 178.261 176.300 -0.052 0.000 1.067 331 R CA 1.047 57.125 56.100 -0.036 0.000 1.010 331 R CB -0.218 30.066 30.300 -0.026 0.000 0.922 331 R HN 0.629 nan 8.270 nan 0.000 0.457 332 Q N 0.984 120.748 119.800 -0.059 0.000 2.245 332 Q HA 0.043 4.384 4.340 0.002 0.000 0.201 332 Q C 1.883 177.819 176.000 -0.106 0.000 0.955 332 Q CA 1.012 56.770 55.803 -0.076 0.000 0.870 332 Q CB 0.185 28.877 28.738 -0.075 0.000 0.945 332 Q HN 0.500 nan 8.270 nan 0.000 0.461 333 I N -5.085 115.416 120.570 -0.115 0.000 4.154 333 I HA 0.496 4.667 4.170 0.002 0.000 0.334 333 I C 0.966 176.986 176.117 -0.162 0.000 1.371 333 I CA 0.325 61.528 61.300 -0.162 0.000 1.110 333 I CB 0.616 38.509 38.000 -0.177 0.000 1.085 333 I HN 0.158 nan 8.210 nan 0.000 0.398 334 G N 1.936 110.668 108.800 -0.113 0.000 2.184 334 G HA2 -0.288 3.673 3.960 0.002 0.000 0.264 334 G HA3 -0.288 3.673 3.960 0.002 0.000 0.264 334 G C 0.488 175.344 174.900 -0.074 0.000 0.975 334 G CA 0.186 45.231 45.100 -0.093 0.000 0.642 334 G HN 0.939 nan 8.290 nan 0.000 0.536 335 A N -0.180 122.592 122.820 -0.081 0.000 2.332 335 A HA 0.794 5.115 4.320 0.002 0.000 0.258 335 A C 0.930 178.493 177.584 -0.035 0.000 1.087 335 A CA 1.098 53.099 52.037 -0.060 0.000 0.802 335 A CB 0.813 19.765 19.000 -0.080 0.000 1.042 335 A HN 1.345 nan 8.150 nan 0.000 0.489 336 S N -0.753 114.934 115.700 -0.021 0.000 2.661 336 S HA 0.376 4.847 4.470 0.002 0.000 0.265 336 S C 0.944 175.540 174.600 -0.007 0.000 1.225 336 S CA -0.444 57.750 58.200 -0.010 0.000 0.986 336 S CB 0.167 63.366 63.200 -0.001 0.000 1.008 336 S HN 0.495 nan 8.310 nan 0.000 0.565 337 L N 1.790 123.013 121.223 0.001 0.000 2.418 337 L HA 0.213 4.554 4.340 0.002 0.000 0.218 337 L C 1.617 178.490 176.870 0.006 0.000 1.125 337 L CA 0.897 55.741 54.840 0.007 0.000 0.835 337 L CB -0.566 41.499 42.059 0.009 0.000 0.953 337 L HN 0.786 nan 8.230 nan 0.000 0.454 338 N N -2.865 115.837 118.700 0.002 0.000 2.184 338 N HA 0.065 4.806 4.740 0.002 0.000 0.206 338 N C -0.501 175.006 175.510 -0.004 0.000 1.151 338 N CA -0.381 52.669 53.050 0.001 0.000 0.878 338 N CB 0.348 38.837 38.487 0.004 0.000 1.014 338 N HN 0.080 nan 8.380 nan 0.000 0.512 339 D N 1.642 122.035 120.400 -0.011 0.000 2.302 339 D HA 0.167 4.808 4.640 0.002 0.000 0.248 339 D C -0.236 176.033 176.300 -0.051 0.000 1.094 339 D CA 0.088 54.075 54.000 -0.021 0.000 0.897 339 D CB 1.094 41.882 40.800 -0.020 0.000 1.200 339 D HN 0.065 nan 8.370 nan 0.000 0.429 340 D N 0.814 121.172 120.400 -0.069 0.000 2.382 340 D HA 0.175 4.816 4.640 0.002 0.000 0.240 340 D C 0.092 176.269 176.300 -0.205 0.000 1.146 340 D CA 0.209 54.129 54.000 -0.133 0.000 0.897 340 D CB 0.896 41.608 40.800 -0.146 0.000 1.197 340 D HN 0.138 nan 8.370 nan 0.000 0.432 341 I N 2.174 122.553 120.570 -0.319 0.000 2.534 341 I HA 0.079 4.250 4.170 0.002 0.000 0.288 341 I C -0.435 175.268 176.117 -0.690 0.000 1.077 341 I CA -0.733 60.251 61.300 -0.527 0.000 1.051 341 I CB 1.743 39.288 38.000 -0.759 0.000 1.234 341 I HN 0.154 nan 8.210 nan 0.000 0.425 342 L N 7.836 128.749 121.223 -0.517 0.000 2.389 342 L HA 0.417 4.758 4.340 0.002 0.000 0.265 342 L C -0.709 176.041 176.870 -0.200 0.000 1.167 342 L CA -0.007 54.604 54.840 -0.383 0.000 1.045 342 L CB -0.830 41.092 42.059 -0.229 0.000 1.351 342 L HN 0.192 nan 8.230 nan 0.000 0.419 343 F N 3.463 123.399 119.950 -0.025 0.000 2.543 343 F HA 0.462 4.990 4.527 0.002 0.000 0.375 343 F C 0.962 176.791 175.800 0.048 0.000 1.075 343 F CA 0.285 58.315 58.000 0.050 0.000 1.225 343 F CB 0.486 39.508 39.000 0.035 0.000 1.099 343 F HN 0.558 nan 8.300 nan 0.000 0.561 344 A N 3.172 126.175 122.820 0.305 0.000 2.429 344 A HA 0.628 4.949 4.320 0.002 0.000 0.289 344 A C -1.238 176.428 177.584 0.136 0.000 1.043 344 A CA -0.694 51.406 52.037 0.104 0.000 0.722 344 A CB 0.946 19.934 19.000 -0.020 0.000 1.243 344 A HN 0.470 nan 8.150 nan 0.000 0.415 345 V N 3.951 123.853 119.914 -0.021 0.000 2.389 345 V HA 0.340 4.461 4.120 0.002 0.000 0.264 345 V C -0.143 175.909 176.094 -0.070 0.000 1.049 345 V CA 0.373 62.682 62.300 0.016 0.000 0.932 345 V CB -0.438 31.347 31.823 -0.063 0.000 1.011 345 V HN 0.722 nan 8.190 nan 0.000 0.475 346 F N 2.532 122.505 119.950 0.038 0.000 2.355 346 F HA 0.846 5.374 4.527 0.002 0.000 0.340 346 F C 0.600 176.472 175.800 0.120 0.000 1.067 346 F CA -0.453 57.600 58.000 0.088 0.000 1.116 346 F CB 0.922 40.003 39.000 0.135 0.000 1.582 346 F HN 0.494 nan 8.300 nan 0.000 0.512 347 A N 0.653 123.752 122.820 0.465 0.000 2.521 347 A HA 0.322 4.643 4.320 0.002 0.000 0.298 347 A C -1.139 176.667 177.584 0.370 0.000 1.044 347 A CA -0.712 51.570 52.037 0.409 0.000 0.911 347 A CB 0.570 19.695 19.000 0.208 0.000 1.376 347 A HN 0.663 nan 8.150 nan 0.000 0.392 348 Q N 2.029 122.039 119.800 0.350 0.000 2.247 348 Q HA 0.363 4.704 4.340 0.002 0.000 0.288 348 Q C 0.681 176.709 176.000 0.047 0.000 1.079 348 Q CA 0.649 56.454 55.803 0.003 0.000 0.932 348 Q CB 0.437 28.968 28.738 -0.346 0.000 1.133 348 Q HN 1.060 nan 8.270 nan 0.000 0.377 349 S N 3.448 119.177 115.700 0.049 0.000 2.645 349 S HA 0.369 4.840 4.470 0.002 0.000 0.266 349 S C -0.235 174.386 174.600 0.036 0.000 1.258 349 S CA -0.833 57.398 58.200 0.052 0.000 0.990 349 S CB 1.204 64.449 63.200 0.074 0.000 0.967 349 S HN 0.637 nan 8.310 nan 0.000 0.556 350 K N 0.666 121.088 120.400 0.037 0.000 2.187 350 K HA 0.257 4.578 4.320 0.002 0.000 0.247 350 K C -2.597 174.036 176.600 0.056 0.000 1.019 350 K CA -1.541 54.767 56.287 0.036 0.000 0.893 350 K CB -0.467 32.051 32.500 0.030 0.000 1.025 350 K HN 0.389 nan 8.250 nan 0.000 0.500 351 P HA -0.045 nan 4.420 nan 0.000 0.257 351 P C -1.095 176.261 177.300 0.093 0.000 1.189 351 P CA 0.800 63.935 63.100 0.059 0.000 0.780 351 P CB 0.120 31.846 31.700 0.043 0.000 0.772 352 D N -0.293 120.180 120.400 0.121 0.000 3.079 352 D HA -0.155 4.486 4.640 0.002 0.000 0.214 352 D C 0.224 176.695 176.300 0.285 0.000 1.145 352 D CA 1.527 55.628 54.000 0.169 0.000 0.958 352 D CB -1.453 39.421 40.800 0.123 0.000 1.117 352 D HN 0.375 nan 8.370 nan 0.000 0.416 353 S N -1.899 113.966 115.700 0.275 0.000 2.759 353 S HA 0.815 5.286 4.470 0.002 0.000 0.310 353 S C 0.622 175.299 174.600 0.127 0.000 1.123 353 S CA 0.100 58.460 58.200 0.268 0.000 0.959 353 S CB 1.832 65.092 63.200 0.101 0.000 1.172 353 S HN 0.151 nan 8.310 nan 0.000 0.539 354 A N 0.618 123.195 122.820 -0.405 0.000 2.390 354 A HA 0.382 4.703 4.320 0.002 0.000 0.232 354 A C -0.012 177.404 177.584 -0.281 0.000 1.233 354 A CA -0.193 51.432 52.037 -0.686 0.000 0.907 354 A CB -0.193 17.858 19.000 -1.582 0.000 0.967 354 A HN 0.773 nan 8.150 nan 0.000 0.512 355 E N 2.027 122.136 120.200 -0.152 0.000 2.217 355 E HA 0.244 4.595 4.350 0.002 0.000 0.279 355 E C -2.578 174.007 176.600 -0.026 0.000 1.068 355 E CA -1.914 54.442 56.400 -0.073 0.000 0.882 355 E CB 0.394 30.070 29.700 -0.040 0.000 1.039 355 E HN 0.252 nan 8.360 nan 0.000 0.418 356 P HA -0.005 nan 4.420 nan 0.000 0.271 356 P C -0.386 176.931 177.300 0.029 0.000 1.216 356 P CA 0.231 63.346 63.100 0.024 0.000 0.776 356 P CB 0.650 32.369 31.700 0.031 0.000 0.881 357 M N 1.504 121.131 119.600 0.046 0.000 2.245 357 M HA 0.155 4.636 4.480 0.002 0.000 0.292 357 M C 0.638 176.972 176.300 0.058 0.000 1.176 357 M CA -0.148 55.178 55.300 0.043 0.000 1.035 357 M CB 0.344 32.968 32.600 0.040 0.000 1.440 357 M HN 0.234 nan 8.290 nan 0.000 0.494 358 D N 1.896 122.326 120.400 0.051 0.000 2.856 358 D HA 0.113 4.754 4.640 0.002 0.000 0.242 358 D C -0.418 175.936 176.300 0.090 0.000 1.226 358 D CA 0.446 54.480 54.000 0.056 0.000 0.855 358 D CB -0.257 40.565 40.800 0.038 0.000 1.065 358 D HN 0.292 nan 8.370 nan 0.000 0.462 359 R N 0.305 120.883 120.500 0.131 0.000 2.407 359 R HA 0.323 4.664 4.340 0.002 0.000 0.298 359 R C -0.638 175.869 176.300 0.345 0.000 1.166 359 R CA -0.379 55.849 56.100 0.213 0.000 1.006 359 R CB 1.485 31.895 30.300 0.183 0.000 1.145 359 R HN -0.135 nan 8.270 nan 0.000 0.538 360 S N 1.214 117.072 115.700 0.263 0.000 2.509 360 S HA 0.750 5.221 4.470 0.002 0.000 0.297 360 S C -0.210 174.386 174.600 -0.006 0.000 1.118 360 S CA -0.595 57.712 58.200 0.178 0.000 1.074 360 S CB 1.950 65.183 63.200 0.056 0.000 1.038 360 S HN 0.678 nan 8.310 nan 0.000 0.498 361 A N 2.465 125.111 122.820 -0.290 0.000 2.858 361 A HA 0.997 5.318 4.320 0.002 0.000 0.232 361 A C -0.752 176.800 177.584 -0.052 0.000 1.258 361 A CA -0.671 51.056 52.037 -0.517 0.000 0.909 361 A CB 1.184 19.265 19.000 -1.531 0.000 1.491 361 A HN 0.705 nan 8.150 nan 0.000 0.472 362 M N -0.603 119.020 119.600 0.037 0.000 2.525 362 M HA 0.425 4.906 4.480 0.002 0.000 0.286 362 M C -2.211 174.169 176.300 0.133 0.000 1.019 362 M CA -0.386 55.062 55.300 0.246 0.000 0.865 362 M CB 0.705 33.522 32.600 0.361 0.000 1.851 362 M HN 1.459 nan 8.290 nan 0.000 0.544 363 c N 1.334 120.045 118.600 0.185 0.000 3.311 363 c HA 1.023 5.594 4.570 0.002 0.000 0.325 363 c C -0.247 173.822 174.090 -0.035 0.000 1.352 363 c CA -0.623 55.670 56.329 -0.060 0.000 1.308 363 c CB 1.129 43.452 42.510 -0.312 0.000 1.619 363 c HN 1.192 nan 8.230 nan 0.000 0.469 364 A N 0.327 122.975 122.820 -0.287 0.000 2.324 364 A HA 0.907 5.228 4.320 0.002 0.000 0.330 364 A C -1.359 175.899 177.584 -0.542 0.000 1.165 364 A CA -0.272 51.577 52.037 -0.313 0.000 0.813 364 A CB 0.383 19.160 19.000 -0.373 0.000 1.197 364 A HN 0.788 nan 8.150 nan 0.000 0.484 365 F N 2.092 121.882 119.950 -0.265 0.000 2.434 365 F HA 0.375 4.903 4.527 0.002 0.000 0.367 365 F C -2.406 173.262 175.800 -0.220 0.000 1.093 365 F CA -2.488 55.399 58.000 -0.189 0.000 1.085 365 F CB 1.708 40.631 39.000 -0.127 0.000 1.322 365 F HN 0.276 nan 8.300 nan 0.000 0.452 366 P HA -0.010 nan 4.420 nan 0.000 0.257 366 P C 1.039 178.341 177.300 0.004 0.000 1.189 366 P CA 0.270 63.330 63.100 -0.065 0.000 0.780 366 P CB 0.457 32.132 31.700 -0.041 0.000 0.772 367 I N 3.913 124.442 120.570 -0.067 0.000 2.315 367 I HA -0.261 3.910 4.170 0.002 0.000 0.251 367 I C 2.010 178.137 176.117 0.017 0.000 1.125 367 I CA 1.699 62.958 61.300 -0.069 0.000 1.392 367 I CB -0.556 37.365 38.000 -0.131 0.000 1.065 367 I HN 0.347 nan 8.210 nan 0.000 0.424 368 K N -1.275 119.152 120.400 0.046 0.000 2.097 368 K HA -0.207 4.114 4.320 0.002 0.000 0.205 368 K C 2.222 178.893 176.600 0.119 0.000 1.050 368 K CA 1.287 57.624 56.287 0.084 0.000 0.938 368 K CB -0.319 32.228 32.500 0.078 0.000 0.718 368 K HN 0.270 nan 8.250 nan 0.000 0.442 369 Y N 1.403 121.700 120.300 -0.005 0.000 2.242 369 Y HA -0.193 4.358 4.550 0.002 0.000 0.291 369 Y C 1.948 177.850 175.900 0.004 0.000 1.137 369 Y CA 0.808 58.913 58.100 0.008 0.000 1.181 369 Y CB -0.216 38.225 38.460 -0.032 0.000 0.989 369 Y HN -0.264 nan 8.280 nan 0.000 0.527 370 V N 0.887 120.777 119.914 -0.042 0.000 2.392 370 V HA -0.311 3.810 4.120 0.002 0.000 0.249 370 V C 1.509 177.544 176.094 -0.100 0.000 1.059 370 V CA 2.089 64.284 62.300 -0.174 0.000 1.051 370 V CB -0.665 31.120 31.823 -0.064 0.000 0.658 370 V HN 0.418 nan 8.190 nan 0.000 0.455 371 N N 0.129 118.853 118.700 0.040 0.000 2.485 371 N HA -0.038 4.703 4.740 0.002 0.000 0.199 371 N C 0.633 176.168 175.510 0.043 0.000 1.236 371 N CA 0.535 53.638 53.050 0.089 0.000 0.852 371 N CB 0.121 38.640 38.487 0.053 0.000 1.018 371 N HN 0.531 nan 8.380 nan 0.000 0.457 372 D N -1.475 118.908 120.400 -0.028 0.000 2.531 372 D HA 0.109 4.750 4.640 0.002 0.000 0.263 372 D C 1.342 177.599 176.300 -0.070 0.000 1.057 372 D CA -0.007 53.969 54.000 -0.040 0.000 0.909 372 D CB -0.144 40.616 40.800 -0.067 0.000 1.236 372 D HN 0.022 nan 8.370 nan 0.000 0.494 373 F N 0.564 120.263 119.950 -0.418 0.000 2.126 373 F HA -0.065 4.463 4.527 0.002 0.000 0.299 373 F C 1.969 177.524 175.800 -0.408 0.000 1.096 373 F CA 1.083 58.811 58.000 -0.453 0.000 1.255 373 F CB -0.617 38.002 39.000 -0.636 0.000 0.997 373 F HN -0.043 nan 8.300 nan 0.000 0.479 374 F N -0.044 119.809 119.950 -0.161 0.000 2.171 374 F HA -0.221 4.307 4.527 0.002 0.000 0.300 374 F C 1.611 177.420 175.800 0.015 0.000 1.090 374 F CA 0.912 58.781 58.000 -0.218 0.000 1.293 374 F CB -0.563 38.318 39.000 -0.199 0.000 1.013 374 F HN -0.100 nan 8.300 nan 0.000 0.486 375 N N 0.187 118.986 118.700 0.164 0.000 2.434 375 N HA 0.022 4.763 4.740 0.002 0.000 0.196 375 N C -0.617 174.946 175.510 0.088 0.000 1.183 375 N CA 0.417 53.541 53.050 0.125 0.000 0.849 375 N CB -0.038 38.496 38.487 0.080 0.000 0.992 375 N HN 0.159 nan 8.380 nan 0.000 0.460 376 K N 0.403 120.857 120.400 0.089 0.000 2.221 376 K HA 0.407 4.728 4.320 0.002 0.000 0.258 376 K C -0.438 176.265 176.600 0.171 0.000 0.944 376 K CA -0.867 55.448 56.287 0.046 0.000 0.823 376 K CB 1.742 34.166 32.500 -0.126 0.000 1.113 376 K HN -0.072 nan 8.250 nan 0.000 0.431 385 C N 3.162 122.402 119.300 -0.101 0.000 2.641 385 C HA 0.060 4.521 4.460 0.002 0.000 0.412 385 C C 0.729 175.709 174.990 -0.016 0.000 1.312 385 C CA 0.002 58.972 59.018 -0.080 0.000 1.838 385 C CB -0.464 27.189 27.740 -0.145 0.000 2.682 385 C HN 0.557 nan 8.230 nan 0.000 0.627 386 L N 3.906 125.165 121.223 0.060 0.000 2.410 386 L HA 0.143 4.484 4.340 0.002 0.000 0.273 386 L C 1.041 177.877 176.870 -0.057 0.000 1.144 386 L CA 0.709 55.550 54.840 0.002 0.000 0.863 386 L CB 0.906 42.973 42.059 0.013 0.000 1.140 386 L HN 0.731 nan 8.230 nan 0.000 0.463 387 Q N 1.709 121.434 119.800 -0.126 0.000 2.123 387 Q HA -0.149 4.192 4.340 0.002 0.000 0.199 387 Q C 1.412 177.317 176.000 -0.159 0.000 0.966 387 Q CA 2.109 57.829 55.803 -0.139 0.000 0.845 387 Q CB -0.064 28.560 28.738 -0.190 0.000 0.907 387 Q HN 0.940 nan 8.270 nan 0.000 0.439 388 H N -2.377 116.648 119.070 -0.075 0.000 2.497 388 H HA 0.066 4.623 4.556 0.002 0.000 0.282 388 H C 1.481 176.914 175.328 0.175 0.000 1.003 388 H CA 0.533 56.577 56.048 -0.006 0.000 1.307 388 H CB -0.424 29.334 29.762 -0.006 0.000 1.437 388 H HN 0.172 nan 8.280 nan 0.000 0.544 389 F N 1.574 121.328 119.950 -0.326 0.000 2.074 389 F HA 0.101 4.629 4.527 0.002 0.000 0.293 389 F C 0.273 175.875 175.800 -0.329 0.000 1.116 389 F CA -0.008 57.784 58.000 -0.347 0.000 1.212 389 F CB -0.610 38.009 39.000 -0.636 0.000 0.998 389 F HN 0.031 nan 8.300 nan 0.000 0.471 390 Y N -0.306 119.825 120.300 -0.282 0.000 2.453 390 Y HA 0.511 5.062 4.550 0.002 0.000 0.344 390 Y C 1.166 177.009 175.900 -0.096 0.000 1.323 390 Y CA -0.859 57.030 58.100 -0.350 0.000 1.526 390 Y CB -0.606 37.635 38.460 -0.366 0.000 1.603 390 Y HN 0.008 nan 8.280 nan 0.000 0.563 391 G N 0.444 109.313 108.800 0.114 0.000 2.370 391 G HA2 0.313 4.274 3.960 0.002 0.000 0.272 391 G HA3 0.313 4.274 3.960 0.002 0.000 0.272 391 G C -2.005 172.945 174.900 0.084 0.000 1.208 391 G CA -1.039 44.127 45.100 0.110 0.000 0.856 391 G HN 0.405 nan 8.290 nan 0.000 0.500 392 P HA -0.113 nan 4.420 nan 0.000 0.218 392 P C 0.630 177.940 177.300 0.016 0.000 1.146 392 P CA 1.128 64.257 63.100 0.048 0.000 0.813 392 P CB 0.158 31.913 31.700 0.091 0.000 0.778 415 E N 1.419 121.600 120.200 -0.030 0.000 1.941 415 E HA 0.273 4.624 4.350 0.002 0.000 0.275 415 E C -0.430 176.169 176.600 -0.001 0.000 1.113 415 E CA -0.528 55.805 56.400 -0.111 0.000 0.878 415 E CB 0.372 30.072 29.700 -0.000 0.000 1.070 415 E HN 0.437 nan 8.360 nan 0.000 0.399 416 Y N 0.658 121.051 120.300 0.155 0.000 2.240 416 Y HA 0.548 5.099 4.550 0.002 0.000 0.341 416 Y C 0.279 176.323 175.900 0.242 0.000 1.326 416 Y CA -1.295 56.950 58.100 0.242 0.000 1.569 416 Y CB 0.527 39.151 38.460 0.273 0.000 1.426 416 Y HN 0.130 nan 8.280 nan 0.000 0.587 417 R N -0.190 120.679 120.500 0.615 0.000 2.711 417 R HA 0.635 4.976 4.340 0.002 0.000 0.284 417 R C -0.837 175.721 176.300 0.429 0.000 0.968 417 R CA -0.779 55.604 56.100 0.472 0.000 0.924 417 R CB 1.930 32.430 30.300 0.334 0.000 1.162 417 R HN 0.822 nan 8.270 nan 0.000 0.465 418 T N -0.415 114.347 114.554 0.347 0.000 2.883 418 T HA 0.418 4.769 4.350 0.002 0.000 0.296 418 T C -1.310 173.525 174.700 0.225 0.000 1.117 418 T CA -0.651 61.579 62.100 0.216 0.000 1.006 418 T CB 1.455 70.402 68.868 0.133 0.000 1.191 418 T HN 0.579 nan 8.240 nan 0.000 0.508 419 E N 0.785 121.062 120.200 0.129 0.000 2.281 419 E HA 0.654 5.005 4.350 0.002 0.000 0.257 419 E C -1.468 175.202 176.600 0.116 0.000 0.971 419 E CA -0.739 55.772 56.400 0.184 0.000 0.839 419 E CB 1.172 30.934 29.700 0.103 0.000 1.238 419 E HN 0.441 nan 8.360 nan 0.000 0.412 420 F N -0.103 119.911 119.950 0.107 0.000 2.540 420 F HA 0.190 4.718 4.527 0.002 0.000 0.317 420 F C 1.205 177.049 175.800 0.073 0.000 1.104 420 F CA -0.369 57.692 58.000 0.102 0.000 0.913 420 F CB 2.202 41.286 39.000 0.139 0.000 1.170 420 F HN 0.583 nan 8.300 nan 0.000 0.450 421 T N -3.122 111.536 114.554 0.173 0.000 3.009 421 T HA 0.020 4.371 4.350 0.002 0.000 0.258 421 T C 0.769 175.572 174.700 0.171 0.000 1.063 421 T CA 0.751 62.924 62.100 0.123 0.000 1.139 421 T CB -0.409 68.485 68.868 0.044 0.000 0.890 421 T HN 0.541 nan 8.240 nan 0.000 0.471 422 T N 1.299 115.991 114.554 0.229 0.000 2.738 422 T HA 0.750 5.101 4.350 0.002 0.000 0.298 422 T C 0.045 174.904 174.700 0.264 0.000 0.962 422 T CA -0.747 61.477 62.100 0.208 0.000 0.972 422 T CB 0.960 69.917 68.868 0.149 0.000 0.928 422 T HN 0.491 nan 8.240 nan 0.000 0.474 423 A N 4.749 127.703 122.820 0.224 0.000 2.401 423 A HA 0.543 4.864 4.320 0.002 0.000 0.259 423 A C 0.271 177.976 177.584 0.202 0.000 1.103 423 A CA -0.798 51.356 52.037 0.195 0.000 0.789 423 A CB 0.120 19.209 19.000 0.148 0.000 1.035 423 A HN 1.029 nan 8.150 nan 0.000 0.491 424 L N 2.629 123.863 121.223 0.019 0.000 2.349 424 L HA 0.483 4.824 4.340 0.002 0.000 0.275 424 L C 0.158 176.982 176.870 -0.076 0.000 1.115 424 L CA -0.129 54.506 54.840 -0.343 0.000 0.820 424 L CB 0.651 42.228 42.059 -0.803 0.000 1.135 424 L HN 0.924 nan 8.230 nan 0.000 0.445 425 Q N 4.669 124.441 119.800 -0.047 0.000 2.386 425 Q HA 0.577 4.918 4.340 0.002 0.000 0.274 425 Q C -1.710 174.229 176.000 -0.101 0.000 1.011 425 Q CA -1.179 54.635 55.803 0.018 0.000 0.867 425 Q CB 1.976 30.720 28.738 0.009 0.000 1.409 425 Q HN 0.483 nan 8.270 nan 0.000 0.395 426 R N 0.574 120.924 120.500 -0.250 0.000 3.084 426 R HA 0.765 5.106 4.340 0.002 0.000 0.234 426 R C 0.005 176.158 176.300 -0.246 0.000 1.433 426 R CA -0.653 55.237 56.100 -0.349 0.000 1.053 426 R CB 0.540 30.442 30.300 -0.663 0.000 1.449 426 R HN 0.660 nan 8.270 nan 0.000 0.505 427 V N -1.916 117.861 119.914 -0.227 0.000 2.850 427 V HA 0.371 4.492 4.120 0.002 0.000 0.315 427 V C 0.102 176.095 176.094 -0.169 0.000 1.064 427 V CA -1.081 61.127 62.300 -0.152 0.000 0.979 427 V CB 1.624 33.382 31.823 -0.110 0.000 1.039 427 V HN 0.563 nan 8.190 nan 0.000 0.452 428 D N 1.439 121.765 120.400 -0.124 0.000 2.434 428 D HA 0.100 4.741 4.640 0.002 0.000 0.252 428 D C 1.067 177.301 176.300 -0.110 0.000 1.185 428 D CA 0.373 54.307 54.000 -0.110 0.000 0.886 428 D CB 1.081 41.827 40.800 -0.090 0.000 1.148 428 D HN 0.634 nan 8.370 nan 0.000 0.483 429 L N 3.440 124.550 121.223 -0.188 0.000 2.217 429 L HA -0.101 4.240 4.340 0.002 0.000 0.211 429 L C 1.559 178.216 176.870 -0.355 0.000 1.107 429 L CA 0.635 55.275 54.840 -0.333 0.000 0.783 429 L CB -0.264 41.494 42.059 -0.502 0.000 0.919 429 L HN 0.414 nan 8.230 nan 0.000 0.442 430 F N -0.433 119.542 119.950 0.042 0.000 2.731 430 F HA 0.153 4.681 4.527 0.002 0.000 0.304 430 F C 1.221 177.017 175.800 -0.007 0.000 1.133 430 F CA -0.148 57.892 58.000 0.067 0.000 1.380 430 F CB -0.403 38.756 39.000 0.264 0.000 1.079 430 F HN -0.024 nan 8.300 nan 0.000 0.550 431 M N 0.061 119.712 119.600 0.087 0.000 2.703 431 M HA -0.268 4.213 4.480 0.002 0.000 0.186 431 M C 1.152 177.491 176.300 0.064 0.000 0.582 431 M CA 1.109 56.436 55.300 0.046 0.000 0.578 431 M CB -2.260 30.354 32.600 0.023 0.000 2.115 431 M HN 0.455 nan 8.290 nan 0.000 0.611 432 G N 0.719 109.583 108.800 0.108 0.000 2.225 432 G HA2 -0.310 3.651 3.960 0.002 0.000 0.264 432 G HA3 -0.310 3.651 3.960 0.002 0.000 0.264 432 G C 0.276 175.191 174.900 0.024 0.000 1.060 432 G CA 0.659 45.817 45.100 0.096 0.000 0.833 432 G HN 0.734 nan 8.290 nan 0.000 0.498 433 Q N -1.069 118.683 119.800 -0.081 0.000 2.234 433 Q HA -0.005 4.336 4.340 0.002 0.000 0.206 433 Q C 1.084 176.766 176.000 -0.530 0.000 0.980 433 Q CA 1.156 56.729 55.803 -0.385 0.000 0.869 433 Q CB -0.091 28.253 28.738 -0.657 0.000 0.912 433 Q HN 0.698 nan 8.270 nan 0.000 0.436 434 F N -0.027 119.888 119.950 -0.058 0.000 2.986 434 F HA 0.237 4.765 4.527 0.001 0.000 0.297 434 F C 1.602 177.399 175.800 -0.005 0.000 1.210 434 F CA -0.218 57.734 58.000 -0.079 0.000 1.346 434 F CB 0.235 39.134 39.000 -0.170 0.000 1.007 434 F HN -0.023 nan 8.300 nan 0.000 0.512 435 S N 0.317 116.088 115.700 0.118 0.000 2.402 435 S HA -0.095 4.376 4.470 0.002 0.000 0.229 435 S C 1.340 176.022 174.600 0.136 0.000 1.021 435 S CA 1.303 59.598 58.200 0.158 0.000 0.974 435 S CB -0.002 63.268 63.200 0.116 0.000 0.800 435 S HN 0.282 nan 8.310 nan 0.000 0.484 436 E N 1.020 121.272 120.200 0.088 0.000 3.269 436 E HA 0.404 4.755 4.350 0.002 0.000 0.221 436 E C -1.215 175.425 176.600 0.066 0.000 1.113 436 E CA -0.072 56.369 56.400 0.069 0.000 1.385 436 E CB 0.841 30.564 29.700 0.039 0.000 1.345 436 E HN 0.249 nan 8.360 nan 0.000 0.435 437 V N 0.611 120.581 119.914 0.094 0.000 3.048 437 V HA 0.358 4.479 4.120 0.002 0.000 0.303 437 V C -1.490 174.642 176.094 0.064 0.000 1.214 437 V CA -0.845 61.501 62.300 0.075 0.000 0.984 437 V CB 2.605 34.486 31.823 0.096 0.000 1.054 437 V HN 0.306 nan 8.190 nan 0.000 0.430 438 L N 6.351 127.590 121.223 0.026 0.000 2.259 438 L HA 0.563 4.904 4.340 0.002 0.000 0.288 438 L C -0.717 176.130 176.870 -0.040 0.000 1.051 438 L CA -0.462 54.384 54.840 0.010 0.000 0.824 438 L CB 0.777 42.842 42.059 0.010 0.000 1.206 438 L HN 0.614 nan 8.230 nan 0.000 0.429 439 L N 4.389 125.566 121.223 -0.075 0.000 2.331 439 L HA 0.305 4.646 4.340 0.002 0.000 0.278 439 L C 1.252 178.062 176.870 -0.099 0.000 1.106 439 L CA -0.120 54.629 54.840 -0.152 0.000 0.824 439 L CB 1.321 43.219 42.059 -0.269 0.000 1.142 439 L HN 0.659 nan 8.230 nan 0.000 0.443 440 T N -2.926 111.569 114.554 -0.097 0.000 2.987 440 T HA 0.082 4.433 4.350 0.002 0.000 0.248 440 T C 0.655 175.323 174.700 -0.053 0.000 0.997 440 T CA 0.054 62.121 62.100 -0.055 0.000 1.013 440 T CB 0.534 69.384 68.868 -0.030 0.000 1.077 440 T HN 0.449 nan 8.240 nan 0.000 0.483 441 S N 0.391 116.044 115.700 -0.078 0.000 2.566 441 S HA 0.757 5.228 4.470 0.002 0.000 0.298 441 S C -1.433 173.097 174.600 -0.117 0.000 1.083 441 S CA -0.801 57.359 58.200 -0.067 0.000 0.978 441 S CB 1.542 64.726 63.200 -0.026 0.000 1.073 441 S HN 0.369 nan 8.310 nan 0.000 0.491 442 I N 2.705 123.212 120.570 -0.106 0.000 2.610 442 I HA 0.508 4.679 4.170 0.002 0.000 0.289 442 I C -1.468 174.529 176.117 -0.199 0.000 1.163 442 I CA -0.077 61.144 61.300 -0.132 0.000 1.044 442 I CB 1.846 39.806 38.000 -0.067 0.000 1.251 442 I HN 0.801 nan 8.210 nan 0.000 0.424 443 S N 4.390 119.920 115.700 -0.283 0.000 2.541 443 S HA 0.700 5.171 4.470 0.002 0.000 0.280 443 S C -0.701 173.687 174.600 -0.353 0.000 1.112 443 S CA -0.588 57.282 58.200 -0.551 0.000 0.925 443 S CB 2.270 65.229 63.200 -0.402 0.000 1.067 443 S HN 0.596 nan 8.310 nan 0.000 0.479 444 T N 3.239 117.635 114.554 -0.263 0.000 2.879 444 T HA 0.698 5.049 4.350 0.002 0.000 0.290 444 T C -0.903 173.859 174.700 0.103 0.000 0.993 444 T CA -0.561 61.430 62.100 -0.181 0.000 0.975 444 T CB 0.285 68.879 68.868 -0.457 0.000 0.981 444 T HN 0.537 nan 8.240 nan 0.000 0.439 445 F N 1.010 120.969 119.950 0.015 0.000 2.640 445 F HA 0.885 5.413 4.527 0.002 0.000 0.324 445 F C -1.375 174.478 175.800 0.088 0.000 1.077 445 F CA -1.725 56.343 58.000 0.114 0.000 0.965 445 F CB 1.176 40.225 39.000 0.082 0.000 1.351 445 F HN 0.315 nan 8.300 nan 0.000 0.487 446 I N 1.797 122.591 120.570 0.374 0.000 2.418 446 I HA 0.366 4.537 4.170 0.002 0.000 0.287 446 I C -0.940 175.346 176.117 0.281 0.000 1.008 446 I CA -0.797 60.634 61.300 0.218 0.000 1.104 446 I CB 2.012 40.086 38.000 0.124 0.000 1.264 446 I HN 0.587 nan 8.210 nan 0.000 0.438 447 K N 5.463 126.014 120.400 0.252 0.000 2.423 447 K HA 0.536 4.856 4.320 0.002 0.000 0.234 447 K C 0.518 177.215 176.600 0.160 0.000 1.051 447 K CA -0.142 56.235 56.287 0.151 0.000 1.021 447 K CB 1.418 33.925 32.500 0.012 0.000 1.474 447 K HN 0.959 nan 8.250 nan 0.000 0.474 448 G N 2.908 111.777 108.800 0.114 0.000 2.588 448 G HA2 -0.329 3.632 3.960 0.002 0.000 0.273 448 G HA3 -0.329 3.632 3.960 0.002 0.000 0.273 448 G C 0.352 175.305 174.900 0.088 0.000 1.211 448 G CA 0.301 45.464 45.100 0.104 0.000 0.958 448 G HN 0.542 nan 8.290 nan 0.000 0.543 449 D N 0.949 121.402 120.400 0.089 0.000 2.338 449 D HA 0.239 4.879 4.640 0.002 0.000 0.208 449 D C 1.482 177.822 176.300 0.065 0.000 0.997 449 D CA 0.223 54.262 54.000 0.064 0.000 0.880 449 D CB -0.027 40.804 40.800 0.052 0.000 0.980 449 D HN 0.490 nan 8.370 nan 0.000 0.509 450 L N 1.165 122.444 121.223 0.093 0.000 2.453 450 L HA 0.159 4.500 4.340 0.002 0.000 0.272 450 L C 0.189 177.087 176.870 0.047 0.000 1.182 450 L CA 0.384 55.275 54.840 0.085 0.000 0.858 450 L CB 0.352 42.498 42.059 0.146 0.000 1.120 450 L HN -0.171 nan 8.230 nan 0.000 0.474 451 T N 3.431 117.978 114.554 -0.012 0.000 3.375 451 T HA 0.444 4.795 4.350 0.002 0.000 0.363 451 T C 0.040 174.607 174.700 -0.222 0.000 1.837 451 T CA -0.474 61.567 62.100 -0.099 0.000 1.445 451 T CB -0.428 68.405 68.868 -0.060 0.000 1.089 451 T HN 0.169 nan 8.240 nan 0.000 0.722 452 I N 2.537 122.898 120.570 -0.348 0.000 2.556 452 I HA 0.456 4.627 4.170 0.002 0.000 0.284 452 I C 0.601 176.260 176.117 -0.763 0.000 1.114 452 I CA 0.001 61.035 61.300 -0.443 0.000 1.418 452 I CB 0.542 38.340 38.000 -0.337 0.000 1.394 452 I HN 0.520 nan 8.210 nan 0.000 0.552 453 A N 6.855 129.425 122.820 -0.417 0.000 2.357 453 A HA 0.503 4.824 4.320 0.002 0.000 0.295 453 A C -0.514 176.910 177.584 -0.267 0.000 1.121 453 A CA -0.913 50.895 52.037 -0.381 0.000 0.742 453 A CB 0.419 19.211 19.000 -0.347 0.000 1.181 453 A HN 0.778 nan 8.150 nan 0.000 0.454 454 N N 3.039 121.606 118.700 -0.222 0.000 2.529 454 N HA 0.550 5.291 4.740 0.002 0.000 0.278 454 N C -0.824 174.443 175.510 -0.404 0.000 1.146 454 N CA -0.215 52.622 53.050 -0.356 0.000 0.980 454 N CB 1.347 39.691 38.487 -0.239 0.000 1.124 454 N HN 0.501 nan 8.380 nan 0.000 0.458 455 L N 0.171 121.045 121.223 -0.582 0.000 2.323 455 L HA 0.688 5.029 4.340 0.002 0.000 0.265 455 L C 0.618 177.257 176.870 -0.384 0.000 1.012 455 L CA -1.132 53.444 54.840 -0.440 0.000 0.820 455 L CB 2.029 43.772 42.059 -0.526 0.000 1.334 455 L HN 0.628 nan 8.230 nan 0.000 0.427 456 G N -0.416 108.252 108.800 -0.220 0.000 2.511 456 G HA2 0.762 4.723 3.960 0.002 0.000 0.318 456 G HA3 0.762 4.723 3.960 0.002 0.000 0.318 456 G C -1.150 173.668 174.900 -0.137 0.000 1.210 456 G CA -0.305 44.724 45.100 -0.118 0.000 0.969 456 G HN 0.451 nan 8.290 nan 0.000 0.484 457 T N -0.698 113.801 114.554 -0.091 0.000 2.906 457 T HA 0.372 4.723 4.350 0.002 0.000 0.295 457 T C 1.307 175.979 174.700 -0.047 0.000 1.075 457 T CA 0.057 62.109 62.100 -0.079 0.000 1.005 457 T CB 1.640 70.462 68.868 -0.076 0.000 1.136 457 T HN 0.737 nan 8.240 nan 0.000 0.498 458 S N -0.002 115.673 115.700 -0.041 0.000 2.723 458 S HA 0.003 4.474 4.470 0.002 0.000 0.231 458 S C 0.576 175.152 174.600 -0.041 0.000 0.967 458 S CA 0.617 58.793 58.200 -0.041 0.000 0.958 458 S CB -0.426 62.755 63.200 -0.032 0.000 0.778 458 S HN 0.762 nan 8.310 nan 0.000 0.537 459 E N -0.283 119.898 120.200 -0.032 0.000 2.846 459 E HA 0.379 4.730 4.350 0.002 0.000 0.211 459 E C 0.878 177.470 176.600 -0.013 0.000 0.975 459 E CA 0.082 56.469 56.400 -0.021 0.000 1.211 459 E CB 0.763 30.454 29.700 -0.015 0.000 1.052 459 E HN 0.442 nan 8.360 nan 0.000 0.487 460 G N 2.074 110.867 108.800 -0.012 0.000 2.162 460 G HA2 -0.349 3.612 3.960 0.002 0.000 0.260 460 G HA3 -0.349 3.612 3.960 0.002 0.000 0.260 460 G C 0.194 175.062 174.900 -0.053 0.000 0.976 460 G CA -0.154 44.944 45.100 -0.003 0.000 0.655 460 G HN 0.160 nan 8.290 nan 0.000 0.533 461 R N -0.200 120.255 120.500 -0.075 0.000 2.351 461 R HA 0.411 4.752 4.340 0.002 0.000 0.318 461 R C -0.212 175.975 176.300 -0.189 0.000 1.055 461 R CA -0.137 55.880 56.100 -0.138 0.000 0.968 461 R CB 0.278 30.520 30.300 -0.097 0.000 0.974 461 R HN 0.268 nan 8.270 nan 0.000 0.439 462 F N 5.093 124.711 119.950 -0.552 0.000 2.425 462 F HA 0.529 5.057 4.527 0.002 0.000 0.331 462 F C -0.216 175.301 175.800 -0.471 0.000 1.085 462 F CA -0.804 56.868 58.000 -0.547 0.000 1.028 462 F CB 1.128 39.699 39.000 -0.714 0.000 1.177 462 F HN 0.409 nan 8.300 nan 0.000 0.487 463 M N 4.018 122.955 119.600 -1.105 0.000 2.389 463 M HA 0.344 4.825 4.480 0.002 0.000 0.291 463 M C -2.215 173.642 176.300 -0.739 0.000 1.128 463 M CA -0.814 54.098 55.300 -0.647 0.000 0.942 463 M CB 2.075 34.485 32.600 -0.318 0.000 1.783 463 M HN 0.571 nan 8.290 nan 0.000 0.501 464 Q N 2.321 121.845 119.800 -0.461 0.000 2.398 464 Q HA 0.632 4.973 4.340 0.002 0.000 0.251 464 Q C -1.108 174.653 176.000 -0.397 0.000 0.999 464 Q CA -0.641 54.951 55.803 -0.352 0.000 0.874 464 Q CB 2.449 31.135 28.738 -0.087 0.000 1.215 464 Q HN 0.581 nan 8.270 nan 0.000 0.470 465 V N 3.226 123.047 119.914 -0.155 0.000 2.435 465 V HA 0.236 4.357 4.120 0.002 0.000 0.290 465 V C 0.055 176.261 176.094 0.186 0.000 1.030 465 V CA -0.856 61.475 62.300 0.052 0.000 0.881 465 V CB 1.909 33.804 31.823 0.119 0.000 0.983 465 V HN 0.497 nan 8.190 nan 0.000 0.445 466 V N 5.822 125.905 119.914 0.281 0.000 2.403 466 V HA 0.093 4.214 4.120 0.002 0.000 0.265 466 V C 0.381 176.570 176.094 0.158 0.000 1.034 466 V CA -0.252 62.168 62.300 0.200 0.000 1.036 466 V CB 0.679 32.610 31.823 0.180 0.000 1.032 466 V HN 0.583 nan 8.190 nan 0.000 0.478 467 V N 5.109 125.063 119.914 0.067 0.000 2.521 467 V HA 0.446 4.567 4.120 0.002 0.000 0.286 467 V C 0.488 176.539 176.094 -0.071 0.000 1.034 467 V CA 0.721 62.996 62.300 -0.042 0.000 1.045 467 V CB 1.088 32.831 31.823 -0.133 0.000 0.974 467 V HN 1.010 nan 8.190 nan 0.000 0.480 468 S N 4.222 119.846 115.700 -0.127 0.000 2.578 468 S HA 0.359 4.830 4.470 0.002 0.000 0.285 468 S C 0.534 175.061 174.600 -0.122 0.000 1.126 468 S CA -0.792 57.353 58.200 -0.092 0.000 0.878 468 S CB 1.438 64.621 63.200 -0.028 0.000 1.091 468 S HN 0.661 nan 8.310 nan 0.000 0.450 469 R N 1.744 122.178 120.500 -0.111 0.000 2.092 469 R HA -0.021 4.320 4.340 0.002 0.000 0.231 469 R C 1.997 178.258 176.300 -0.065 0.000 1.119 469 R CA 1.761 57.797 56.100 -0.106 0.000 0.970 469 R CB -1.037 29.203 30.300 -0.099 0.000 0.864 469 R HN 0.653 nan 8.270 nan 0.000 0.440 470 S N -0.215 115.458 115.700 -0.045 0.000 2.462 470 S HA -0.099 4.372 4.470 0.002 0.000 0.219 470 S C 1.242 175.836 174.600 -0.011 0.000 1.048 470 S CA 1.456 59.641 58.200 -0.025 0.000 1.119 470 S CB -0.452 62.739 63.200 -0.015 0.000 1.100 470 S HN 0.514 nan 8.310 nan 0.000 0.411 471 G N 1.418 110.221 108.800 0.005 0.000 2.513 471 G HA2 0.552 4.513 3.960 0.002 0.000 0.317 471 G HA3 0.552 4.513 3.960 0.002 0.000 0.317 471 G C -3.267 171.662 174.900 0.047 0.000 1.277 471 G CA -1.553 43.561 45.100 0.023 0.000 0.955 471 G HN 0.066 nan 8.290 nan 0.000 0.484 472 P HA 0.183 nan 4.420 nan 0.000 0.256 472 P C 0.248 177.607 177.300 0.099 0.000 1.688 472 P CA -0.219 62.952 63.100 0.118 0.000 1.162 472 P CB 0.401 32.139 31.700 0.063 0.000 1.870 473 S N 1.495 117.276 115.700 0.134 0.000 2.552 473 S HA 0.044 4.515 4.470 0.002 0.000 0.289 473 S C 0.768 175.437 174.600 0.114 0.000 1.304 473 S CA 0.255 58.531 58.200 0.126 0.000 1.063 473 S CB -0.238 63.054 63.200 0.154 0.000 0.848 473 S HN 0.328 nan 8.310 nan 0.000 0.499 474 T N 5.883 120.487 114.554 0.083 0.000 2.940 474 T HA 0.126 4.477 4.350 0.002 0.000 0.309 474 T C -2.293 172.468 174.700 0.102 0.000 1.056 474 T CA -0.586 61.547 62.100 0.055 0.000 1.137 474 T CB 0.059 68.951 68.868 0.039 0.000 0.976 474 T HN 0.320 nan 8.240 nan 0.000 0.547 475 P HA 0.021 nan 4.420 nan 0.000 0.259 475 P C 0.966 178.287 177.300 0.036 0.000 1.211 475 P CA -0.040 63.048 63.100 -0.020 0.000 0.810 475 P CB -0.012 31.662 31.700 -0.043 0.000 0.815 476 H N 1.469 120.651 119.070 0.185 0.000 2.561 476 H HA 0.055 4.612 4.556 0.002 0.000 0.278 476 H C -0.056 175.457 175.328 0.307 0.000 1.014 476 H CA 0.275 56.498 56.048 0.291 0.000 1.211 476 H CB -0.056 29.893 29.762 0.311 0.000 1.365 476 H HN 0.088 nan 8.280 nan 0.000 0.594 477 V N 1.840 121.767 119.914 0.021 0.000 2.569 477 V HA 0.277 4.398 4.120 0.002 0.000 0.301 477 V C -0.719 175.485 176.094 0.183 0.000 1.044 477 V CA -0.904 61.530 62.300 0.222 0.000 0.874 477 V CB 1.819 33.796 31.823 0.257 0.000 1.002 477 V HN 0.302 nan 8.190 nan 0.000 0.424 478 N N 4.610 123.498 118.700 0.314 0.000 2.455 478 N HA 0.747 5.488 4.740 0.002 0.000 0.285 478 N C -1.097 174.631 175.510 0.362 0.000 1.080 478 N CA -0.407 52.767 53.050 0.206 0.000 0.932 478 N CB 2.098 40.637 38.487 0.087 0.000 1.610 478 N HN 0.591 nan 8.380 nan 0.000 0.493 479 F N 0.447 120.455 119.950 0.096 0.000 3.194 479 F HA 0.591 5.119 4.527 0.002 0.000 0.327 479 F C -2.089 173.759 175.800 0.080 0.000 1.141 479 F CA -1.162 56.885 58.000 0.078 0.000 0.862 479 F CB 1.075 40.115 39.000 0.066 0.000 1.447 479 F HN 0.119 nan 8.300 nan 0.000 0.479 480 L N 2.231 123.595 121.223 0.235 0.000 2.333 480 L HA 0.476 4.817 4.340 0.002 0.000 0.280 480 L C 0.196 177.198 176.870 0.220 0.000 1.004 480 L CA -0.710 54.189 54.840 0.098 0.000 0.820 480 L CB 1.892 44.007 42.059 0.093 0.000 1.247 480 L HN 0.779 nan 8.230 nan 0.000 0.416 481 L N 1.521 122.801 121.223 0.096 0.000 2.062 481 L HA 0.065 4.406 4.340 0.002 0.000 0.202 481 L C 0.090 177.013 176.870 0.088 0.000 1.079 481 L CA 1.094 56.014 54.840 0.133 0.000 0.755 481 L CB 0.078 42.178 42.059 0.068 0.000 0.913 481 L HN 0.784 nan 8.230 nan 0.000 0.445 482 D N -4.155 116.285 120.400 0.067 0.000 2.713 482 D HA 0.019 4.660 4.640 0.002 0.000 0.306 482 D C 0.283 176.623 176.300 0.068 0.000 1.299 482 D CA 0.113 54.151 54.000 0.063 0.000 0.823 482 D CB 0.560 41.393 40.800 0.056 0.000 1.353 482 D HN -0.074 nan 8.370 nan 0.000 0.447 483 S N -1.896 113.843 115.700 0.066 0.000 2.507 483 S HA -0.138 4.333 4.470 0.002 0.000 0.235 483 S C 0.745 175.379 174.600 0.057 0.000 0.988 483 S CA 0.419 58.649 58.200 0.050 0.000 0.944 483 S CB -0.759 62.465 63.200 0.040 0.000 0.762 483 S HN 0.606 nan 8.310 nan 0.000 0.526 484 H N 3.338 122.412 119.070 0.006 0.000 2.668 484 H HA 0.357 4.914 4.556 0.002 0.000 0.303 484 H C -2.828 172.504 175.328 0.006 0.000 1.074 484 H CA -2.081 53.971 56.048 0.008 0.000 1.406 484 H CB 0.787 30.555 29.762 0.009 0.000 1.442 484 H HN 0.110 nan 8.280 nan 0.000 0.482 485 P HA -0.130 nan 4.420 nan 0.000 0.264 485 P C -0.198 177.153 177.300 0.085 0.000 1.179 485 P CA 0.034 63.117 63.100 -0.028 0.000 0.763 485 P CB 0.610 32.248 31.700 -0.103 0.000 0.806 486 V N 2.593 122.540 119.914 0.055 0.000 2.872 486 V HA 0.070 4.191 4.120 0.002 0.000 0.307 486 V C 0.959 177.097 176.094 0.072 0.000 1.072 486 V CA 0.325 62.668 62.300 0.072 0.000 1.148 486 V CB 0.390 32.240 31.823 0.045 0.000 0.954 486 V HN 0.710 nan 8.190 nan 0.000 0.490 487 S N 4.398 120.151 115.700 0.088 0.000 2.554 487 S HA 0.413 4.884 4.470 0.002 0.000 0.278 487 S C -1.918 172.718 174.600 0.061 0.000 1.242 487 S CA -1.411 56.839 58.200 0.084 0.000 1.051 487 S CB 1.569 64.830 63.200 0.101 0.000 0.986 487 S HN 0.541 nan 8.310 nan 0.000 0.502 488 P HA 0.020 nan 4.420 nan 0.000 0.225 488 P C -0.085 177.253 177.300 0.063 0.000 1.148 488 P CA 0.777 63.902 63.100 0.042 0.000 0.779 488 P CB 0.034 31.764 31.700 0.050 0.000 0.780 489 E N 0.758 121.010 120.200 0.085 0.000 2.265 489 E HA 0.200 4.551 4.350 0.002 0.000 0.272 489 E C -0.000 176.647 176.600 0.078 0.000 1.067 489 E CA 0.135 56.595 56.400 0.101 0.000 0.900 489 E CB 0.650 30.418 29.700 0.113 0.000 1.017 489 E HN -0.002 nan 8.360 nan 0.000 0.431 490 V N 0.853 120.807 119.914 0.067 0.000 3.087 490 V HA 0.522 4.643 4.120 0.002 0.000 0.306 490 V C -0.448 175.661 176.094 0.026 0.000 1.187 490 V CA -1.099 61.218 62.300 0.028 0.000 0.999 490 V CB 2.515 34.319 31.823 -0.032 0.000 1.049 490 V HN 0.348 nan 8.190 nan 0.000 0.431 491 I N 2.236 122.811 120.570 0.008 0.000 2.474 491 I HA 0.586 4.757 4.170 0.002 0.000 0.294 491 I C -0.668 175.382 176.117 -0.111 0.000 1.005 491 I CA -0.695 60.604 61.300 -0.003 0.000 1.113 491 I CB 2.187 40.207 38.000 0.033 0.000 1.289 491 I HN 0.540 nan 8.210 nan 0.000 0.436 492 V N 6.120 125.970 119.914 -0.107 0.000 2.350 492 V HA 0.374 4.495 4.120 0.002 0.000 0.285 492 V C -0.007 175.930 176.094 -0.262 0.000 1.014 492 V CA -0.610 61.571 62.300 -0.198 0.000 0.831 492 V CB 1.748 33.535 31.823 -0.059 0.000 1.000 492 V HN 0.571 nan 8.190 nan 0.000 0.433 493 E N 3.490 123.343 120.200 -0.578 0.000 2.171 493 E HA 0.420 4.770 4.350 0.002 0.000 0.271 493 E C -1.180 175.113 176.600 -0.511 0.000 0.916 493 E CA -0.604 55.468 56.400 -0.547 0.000 0.774 493 E CB 1.318 30.472 29.700 -0.910 0.000 1.128 493 E HN 0.622 nan 8.360 nan 0.000 0.403 494 H N 2.065 121.042 119.070 -0.155 0.000 2.481 494 H HA 0.353 4.910 4.556 0.002 0.000 0.333 494 H C 0.002 175.307 175.328 -0.039 0.000 1.066 494 H CA -0.211 55.782 56.048 -0.092 0.000 1.209 494 H CB 1.495 31.228 29.762 -0.049 0.000 1.445 494 H HN 0.478 nan 8.280 nan 0.000 0.488 495 T N 0.093 114.698 114.554 0.085 0.000 2.927 495 T HA 0.315 4.666 4.350 0.002 0.000 0.286 495 T C 0.160 174.897 174.700 0.062 0.000 1.040 495 T CA -1.068 61.077 62.100 0.076 0.000 1.010 495 T CB 1.619 70.531 68.868 0.074 0.000 1.177 495 T HN 0.197 nan 8.240 nan 0.000 0.546 496 L N 2.195 123.445 121.223 0.045 0.000 2.490 496 L HA 0.233 4.574 4.340 0.002 0.000 0.274 496 L C 0.491 177.374 176.870 0.022 0.000 1.201 496 L CA 0.874 55.732 54.840 0.030 0.000 0.869 496 L CB -0.875 41.197 42.059 0.023 0.000 1.123 496 L HN 0.837 nan 8.230 nan 0.000 0.484 497 N N 2.743 121.454 118.700 0.018 0.000 2.753 497 N HA -0.250 4.491 4.740 0.002 0.000 0.251 497 N C -0.524 174.988 175.510 0.004 0.000 1.097 497 N CA 1.235 54.292 53.050 0.012 0.000 0.786 497 N CB -1.309 37.185 38.487 0.011 0.000 1.137 497 N HN 0.815 nan 8.380 nan 0.000 0.566 498 Q N -1.839 117.970 119.800 0.015 0.000 2.398 498 Q HA -0.224 4.117 4.340 0.002 0.000 0.355 498 Q C 0.242 176.210 176.000 -0.052 0.000 1.334 498 Q CA 0.626 56.430 55.803 0.001 0.000 0.993 498 Q CB -0.396 28.329 28.738 -0.021 0.000 1.112 498 Q HN 0.450 nan 8.270 nan 0.000 0.305 499 N N 0.528 119.205 118.700 -0.039 0.000 2.513 499 N HA 0.165 4.906 4.740 0.002 0.000 0.196 499 N C 0.941 176.391 175.510 -0.100 0.000 1.041 499 N CA 1.320 54.340 53.050 -0.050 0.000 0.916 499 N CB 0.024 38.509 38.487 -0.004 0.000 1.172 499 N HN 0.709 nan 8.380 nan 0.000 0.444 500 G N 0.732 109.477 108.800 -0.091 0.000 2.916 500 G HA2 -0.129 3.832 3.960 0.002 0.000 0.533 500 G HA3 -0.129 3.832 3.960 0.002 0.000 0.533 500 G C -1.025 173.836 174.900 -0.066 0.000 1.516 500 G CA 0.167 45.122 45.100 -0.242 0.000 0.944 500 G HN 0.624 nan 8.290 nan 0.000 0.555 501 Y N -3.534 116.599 120.300 -0.277 0.000 2.527 501 Y HA 0.633 5.184 4.550 0.002 0.000 0.328 501 Y C -0.379 175.426 175.900 -0.158 0.000 1.216 501 Y CA -0.778 57.204 58.100 -0.195 0.000 1.152 501 Y CB 0.295 38.670 38.460 -0.141 0.000 1.342 501 Y HN 0.823 nan 8.280 nan 0.000 0.465 502 T N 4.766 119.310 114.554 -0.016 0.000 2.794 502 T HA 0.523 4.874 4.350 0.002 0.000 0.280 502 T C -0.404 174.340 174.700 0.073 0.000 0.987 502 T CA -0.661 61.424 62.100 -0.025 0.000 0.993 502 T CB 0.862 69.756 68.868 0.045 0.000 0.939 502 T HN 0.631 nan 8.240 nan 0.000 0.449 503 L N 3.988 125.258 121.223 0.078 0.000 2.295 503 L HA 0.413 4.754 4.340 0.002 0.000 0.288 503 L C -0.329 176.571 176.870 0.049 0.000 1.079 503 L CA -0.667 54.228 54.840 0.091 0.000 0.830 503 L CB 0.460 42.594 42.059 0.125 0.000 1.200 503 L HN 0.319 nan 8.230 nan 0.000 0.438 504 V N 5.138 125.062 119.914 0.017 0.000 2.472 504 V HA 0.444 4.565 4.120 0.002 0.000 0.290 504 V C 0.272 176.384 176.094 0.030 0.000 1.037 504 V CA -0.424 61.891 62.300 0.025 0.000 0.908 504 V CB 2.039 33.859 31.823 -0.005 0.000 0.985 504 V HN 0.473 nan 8.190 nan 0.000 0.454 505 I N 3.761 124.362 120.570 0.052 0.000 2.412 505 I HA 0.578 4.749 4.170 0.002 0.000 0.296 505 I C 0.051 176.201 176.117 0.056 0.000 0.987 505 I CA -0.337 60.993 61.300 0.051 0.000 1.180 505 I CB 2.061 40.101 38.000 0.068 0.000 1.340 505 I HN 0.688 nan 8.210 nan 0.000 0.455 506 T N 1.507 116.077 114.554 0.027 0.000 3.305 506 T HA 0.616 4.967 4.350 0.002 0.000 0.348 506 T C 0.435 175.048 174.700 -0.145 0.000 1.394 506 T CA -0.169 61.965 62.100 0.056 0.000 1.549 506 T CB 0.900 69.811 68.868 0.071 0.000 0.962 506 T HN 1.183 nan 8.240 nan 0.000 0.609 507 G N 3.708 112.299 108.800 -0.348 0.000 3.487 507 G HA2 -0.334 3.627 3.960 0.002 0.000 0.295 507 G HA3 -0.334 3.627 3.960 0.002 0.000 0.295 507 G C 0.768 175.486 174.900 -0.304 0.000 1.454 507 G CA 0.430 45.028 45.100 -0.837 0.000 1.039 507 G HN 0.642 nan 8.290 nan 0.000 0.624 508 K N 0.596 120.848 120.400 -0.245 0.000 2.365 508 K HA 0.220 4.541 4.320 0.002 0.000 0.195 508 K C 1.096 177.619 176.600 -0.129 0.000 1.079 508 K CA 0.114 56.313 56.287 -0.147 0.000 0.979 508 K CB 0.495 32.898 32.500 -0.161 0.000 0.929 508 K HN 0.272 nan 8.250 nan 0.000 0.523 509 K N 2.759 123.085 120.400 -0.125 0.000 2.310 509 K HA 0.165 4.486 4.320 0.002 0.000 0.290 509 K C -1.031 175.558 176.600 -0.018 0.000 1.077 509 K CA -0.073 56.162 56.287 -0.087 0.000 0.922 509 K CB 0.398 32.850 32.500 -0.079 0.000 1.057 509 K HN 0.092 nan 8.250 nan 0.000 0.479 510 I N 4.374 124.967 120.570 0.040 0.000 2.330 510 I HA 0.193 4.364 4.170 0.002 0.000 0.289 510 I C -0.752 175.394 176.117 0.048 0.000 1.001 510 I CA -0.220 61.116 61.300 0.061 0.000 1.193 510 I CB 1.313 39.374 38.000 0.102 0.000 1.345 510 I HN 0.502 nan 8.210 nan 0.000 0.461 511 T N 6.066 120.622 114.554 0.004 0.000 2.902 511 T HA 0.278 4.629 4.350 0.002 0.000 0.283 511 T C -0.337 174.335 174.700 -0.046 0.000 1.009 511 T CA -0.763 61.320 62.100 -0.029 0.000 1.051 511 T CB 1.457 70.292 68.868 -0.054 0.000 0.999 511 T HN 0.515 nan 8.240 nan 0.000 0.474 512 K N 3.088 123.447 120.400 -0.070 0.000 2.299 512 K HA 0.421 4.742 4.320 0.002 0.000 0.268 512 K C -0.958 175.584 176.600 -0.097 0.000 1.075 512 K CA -0.454 55.786 56.287 -0.079 0.000 0.936 512 K CB -0.022 32.368 32.500 -0.183 0.000 1.228 512 K HN 0.565 nan 8.250 nan 0.000 0.454 513 I N 6.412 126.939 120.570 -0.071 0.000 2.354 513 I HA 0.322 4.493 4.170 0.002 0.000 0.292 513 I C -2.185 173.930 176.117 -0.002 0.000 0.989 513 I CA -2.886 58.352 61.300 -0.103 0.000 1.188 513 I CB 1.656 39.491 38.000 -0.275 0.000 1.342 513 I HN 0.437 nan 8.210 nan 0.000 0.457 514 P HA 0.199 nan 4.420 nan 0.000 0.274 514 P C 0.483 177.777 177.300 -0.011 0.000 1.231 514 P CA -0.325 62.774 63.100 -0.001 0.000 0.790 514 P CB 0.825 32.515 31.700 -0.017 0.000 0.951 515 L N 0.770 121.904 121.223 -0.147 0.000 2.341 515 L HA 0.018 4.359 4.340 0.002 0.000 0.214 515 L C 1.179 178.024 176.870 -0.042 0.000 1.115 515 L CA 0.827 55.486 54.840 -0.301 0.000 0.820 515 L CB -0.740 40.734 42.059 -0.974 0.000 0.944 515 L HN 0.301 nan 8.230 nan 0.000 0.452 516 N N 1.039 119.734 118.700 -0.007 0.000 2.571 516 N HA 0.069 4.810 4.740 0.002 0.000 0.189 516 N C 0.942 176.675 175.510 0.372 0.000 1.154 516 N CA 0.837 53.982 53.050 0.160 0.000 0.907 516 N CB -0.085 38.457 38.487 0.091 0.000 0.977 516 N HN 0.383 nan 8.380 nan 0.000 0.449 517 G N 0.129 109.116 108.800 0.312 0.000 2.814 517 G HA2 -0.215 3.746 3.960 0.002 0.000 0.677 517 G HA3 -0.215 3.746 3.960 0.002 0.000 0.677 517 G C -0.332 174.640 174.900 0.119 0.000 1.429 517 G CA -0.730 44.554 45.100 0.307 0.000 0.868 517 G HN 0.125 nan 8.290 nan 0.000 0.553 518 L N 2.390 123.567 121.223 -0.076 0.000 2.922 518 L HA 0.400 4.741 4.340 0.002 0.000 0.244 518 L C 2.067 178.900 176.870 -0.061 0.000 1.324 518 L CA 1.590 56.270 54.840 -0.266 0.000 1.172 518 L CB -1.750 39.839 42.059 -0.784 0.000 1.545 518 L HN 2.330 nan 8.230 nan 0.000 0.438 519 G N 0.192 109.058 108.800 0.108 0.000 2.561 519 G HA2 -0.342 3.619 3.960 0.002 0.000 0.289 519 G HA3 -0.342 3.619 3.960 0.002 0.000 0.289 519 G C 0.596 175.688 174.900 0.321 0.000 1.169 519 G CA 0.117 45.327 45.100 0.183 0.000 0.980 519 G HN 0.387 nan 8.290 nan 0.000 0.550 520 c N 0.238 119.022 118.600 0.306 0.000 4.027 520 c HA 0.404 4.975 4.570 0.002 0.000 0.351 520 c C 2.227 176.513 174.090 0.327 0.000 1.634 520 c CA 0.211 56.805 56.329 0.442 0.000 1.897 520 c CB 0.029 42.743 42.510 0.340 0.000 2.949 520 c HN 0.607 nan 8.230 nan 0.000 0.684 521 R N 1.952 122.575 120.500 0.205 0.000 2.189 521 R HA -0.039 4.302 4.340 0.002 0.000 0.223 521 R C 1.684 178.045 176.300 0.101 0.000 1.092 521 R CA 1.086 57.257 56.100 0.119 0.000 0.989 521 R CB -0.719 29.619 30.300 0.065 0.000 0.876 521 R HN 0.797 nan 8.270 nan 0.000 0.457 522 H N -1.706 117.300 119.070 -0.107 0.000 2.526 522 H HA 0.168 4.724 4.556 0.001 0.000 0.274 522 H C -0.268 174.953 175.328 -0.178 0.000 0.999 522 H CA -0.522 55.426 56.048 -0.166 0.000 1.157 522 H CB -0.657 28.960 29.762 -0.241 0.000 1.407 522 H HN -0.063 nan 8.280 nan 0.000 0.568 523 F N 2.081 121.876 119.950 -0.259 0.000 2.427 523 F HA 0.175 4.703 4.527 0.002 0.000 0.352 523 F C 1.572 177.367 175.800 -0.008 0.000 1.100 523 F CA -0.411 57.469 58.000 -0.199 0.000 1.191 523 F CB 1.653 40.579 39.000 -0.124 0.000 1.128 523 F HN 0.038 nan 8.300 nan 0.000 0.533 524 Q N 1.518 121.444 119.800 0.210 0.000 2.036 524 Q HA 0.003 4.344 4.340 0.002 0.000 0.195 524 Q C 0.791 176.941 176.000 0.250 0.000 0.971 524 Q CA 0.907 56.818 55.803 0.180 0.000 0.826 524 Q CB 0.089 28.899 28.738 0.119 0.000 0.896 524 Q HN 0.708 nan 8.270 nan 0.000 0.449 525 S N -1.654 114.121 115.700 0.125 0.000 2.739 525 S HA 0.201 4.672 4.470 0.002 0.000 0.306 525 S C 0.864 175.162 174.600 -0.503 0.000 1.115 525 S CA -0.776 57.346 58.200 -0.131 0.000 0.985 525 S CB 1.210 64.342 63.200 -0.113 0.000 1.133 525 S HN 0.381 nan 8.310 nan 0.000 0.541 526 c N 0.907 118.748 118.600 -1.265 0.000 2.453 526 c HA 0.011 4.581 4.570 0.002 0.000 0.277 526 c C 2.914 176.582 174.090 -0.704 0.000 1.262 526 c CA 1.638 57.100 56.329 -1.446 0.000 1.718 526 c CB -1.732 39.718 42.510 -1.766 0.000 2.031 526 c HN 0.931 nan 8.230 nan 0.000 0.480 527 S N 0.285 115.613 115.700 -0.621 0.000 2.370 527 S HA -0.218 4.253 4.470 0.002 0.000 0.226 527 S C 1.759 175.875 174.600 -0.807 0.000 1.033 527 S CA 1.762 59.541 58.200 -0.702 0.000 1.011 527 S CB -0.429 62.369 63.200 -0.670 0.000 0.852 527 S HN 0.774 nan 8.310 nan 0.000 0.457 528 Q N -0.547 118.930 119.800 -0.538 0.000 2.364 528 Q HA -0.009 4.332 4.340 0.002 0.000 0.207 528 Q C 2.263 177.917 176.000 -0.577 0.000 0.970 528 Q CA 0.813 56.371 55.803 -0.409 0.000 0.888 528 Q CB -0.362 28.302 28.738 -0.124 0.000 0.951 528 Q HN 0.592 nan 8.270 nan 0.000 0.469 529 c N 0.058 118.359 118.600 -0.498 0.000 2.468 529 c HA 0.085 4.656 4.570 0.002 0.000 0.277 529 c C 1.793 175.553 174.090 -0.551 0.000 1.400 529 c CA 0.352 56.350 56.329 -0.552 0.000 1.770 529 c CB -0.502 41.979 42.510 -0.049 0.000 1.905 529 c HN 0.477 nan 8.230 nan 0.000 0.519 530 L N -0.136 120.831 121.223 -0.426 0.000 2.693 530 L HA 0.173 4.513 4.340 0.002 0.000 0.235 530 L C 2.204 178.982 176.870 -0.153 0.000 1.127 530 L CA 0.280 54.969 54.840 -0.252 0.000 0.914 530 L CB -0.306 41.685 42.059 -0.113 0.000 1.193 530 L HN 0.075 nan 8.230 nan 0.000 0.502 531 S N 0.706 116.228 115.700 -0.297 0.000 2.522 531 S HA 0.160 4.631 4.470 0.002 0.000 0.227 531 S C 1.217 175.727 174.600 -0.150 0.000 0.986 531 S CA 0.192 58.312 58.200 -0.134 0.000 0.929 531 S CB -0.070 62.977 63.200 -0.255 0.000 0.769 531 S HN 0.394 nan 8.310 nan 0.000 0.529 532 A N 2.957 125.587 122.820 -0.316 0.000 2.445 532 A HA 0.429 4.750 4.320 0.002 0.000 0.242 532 A C -2.180 175.226 177.584 -0.297 0.000 1.075 532 A CA -1.161 50.730 52.037 -0.244 0.000 0.777 532 A CB -0.330 18.514 19.000 -0.259 0.000 1.013 532 A HN 0.122 nan 8.150 nan 0.000 0.493 533 P HA 0.060 nan 4.420 nan 0.000 0.271 533 P C -1.882 175.096 177.300 -0.536 0.000 1.233 533 P CA -0.797 61.951 63.100 -0.586 0.000 0.795 533 P CB -0.166 30.875 31.700 -1.099 0.000 0.936 534 P HA -0.145 nan 4.420 nan 0.000 0.219 534 P C 1.004 178.261 177.300 -0.070 0.000 1.146 534 P CA 1.367 64.391 63.100 -0.128 0.000 0.808 534 P CB -0.475 31.227 31.700 0.003 0.000 0.779 535 F N -2.367 117.619 119.950 0.060 0.000 2.512 535 F HA 0.040 4.567 4.527 0.002 0.000 0.296 535 F C 1.681 177.536 175.800 0.092 0.000 1.110 535 F CA 0.294 58.339 58.000 0.075 0.000 1.446 535 F CB -1.903 37.145 39.000 0.081 0.000 1.092 535 F HN -0.303 nan 8.300 nan 0.000 0.554 536 V N 0.090 119.947 119.914 -0.094 0.000 2.427 536 V HA -0.222 3.899 4.120 0.002 0.000 0.248 536 V C 1.222 177.400 176.094 0.141 0.000 1.051 536 V CA 1.549 63.913 62.300 0.107 0.000 1.048 536 V CB -1.212 30.633 31.823 0.036 0.000 0.666 536 V HN 0.583 nan 8.190 nan 0.000 0.456 537 Q N -1.215 118.639 119.800 0.090 0.000 2.459 537 Q HA -0.205 4.136 4.340 0.002 0.000 0.314 537 Q C 0.088 176.226 176.000 0.229 0.000 1.432 537 Q CA 0.205 56.104 55.803 0.161 0.000 0.823 537 Q CB -1.716 27.125 28.738 0.172 0.000 1.124 537 Q HN 0.730 nan 8.270 nan 0.000 0.392 538 c N -0.834 117.859 118.600 0.156 0.000 2.590 538 c HA 0.829 5.400 4.570 0.002 0.000 0.354 538 c C 1.291 175.476 174.090 0.158 0.000 1.622 538 c CA 0.434 56.870 56.329 0.177 0.000 2.050 538 c CB 1.232 43.771 42.510 0.048 0.000 1.960 538 c HN 0.789 nan 8.230 nan 0.000 0.550 539 G N 0.079 108.892 108.800 0.021 0.000 2.374 539 G HA2 0.234 4.195 3.960 0.002 0.000 0.298 539 G HA3 0.234 4.195 3.960 0.002 0.000 0.298 539 G C -0.864 173.846 174.900 -0.318 0.000 2.674 539 G CA -0.432 44.300 45.100 -0.614 0.000 0.775 539 G HN 0.817 nan 8.290 nan 0.000 0.437 540 W N 3.425 124.485 121.300 -0.399 0.000 2.443 540 W HA 0.268 4.929 4.660 0.001 0.000 0.335 540 W C -0.538 175.893 176.519 -0.146 0.000 1.382 540 W CA 0.109 57.321 57.345 -0.222 0.000 1.305 540 W CB 1.195 30.513 29.460 -0.236 0.000 1.283 540 W HN 0.447 nan 8.180 nan 0.000 0.567 541 c N 8.209 126.552 118.600 -0.428 0.000 2.566 541 c HA 0.195 4.766 4.570 0.002 0.000 0.300 541 c C 0.991 174.944 174.090 -0.228 0.000 1.147 541 c CA 0.140 56.368 56.329 -0.169 0.000 1.644 541 c CB -1.826 40.672 42.510 -0.020 0.000 1.691 541 c HN 0.988 nan 8.230 nan 0.000 0.440 542 H N 2.056 120.998 119.070 -0.213 0.000 4.905 542 H HA -0.227 4.330 4.556 0.001 0.000 0.065 542 H C 0.945 176.216 175.328 -0.094 0.000 0.584 542 H CA 3.073 59.082 56.048 -0.064 0.000 0.984 542 H CB -0.869 28.857 29.762 -0.061 0.000 0.446 542 H HN 0.594 nan 8.280 nan 0.000 0.786 543 D N -0.036 120.028 120.400 -0.561 0.000 2.331 543 D HA 0.197 4.838 4.640 0.002 0.000 0.300 543 D C 0.141 175.919 176.300 -0.871 0.000 1.090 543 D CA 0.335 54.005 54.000 -0.551 0.000 0.905 543 D CB 0.492 41.074 40.800 -0.362 0.000 1.600 543 D HN 0.523 nan 8.370 nan 0.000 0.511 544 K N -0.235 119.649 120.400 -0.860 0.000 2.238 544 K HA 0.577 4.898 4.320 0.002 0.000 0.239 544 K C -0.896 175.157 176.600 -0.911 0.000 0.987 544 K CA -0.825 55.008 56.287 -0.757 0.000 0.857 544 K CB 2.715 35.013 32.500 -0.336 0.000 1.154 544 K HN 0.062 nan 8.250 nan 0.000 0.439 545 c N 1.834 120.135 118.600 -0.498 0.000 2.319 545 c HA 0.719 5.290 4.570 0.002 0.000 0.335 545 c C -0.116 173.963 174.090 -0.019 0.000 1.274 545 c CA -0.159 56.066 56.329 -0.173 0.000 1.806 545 c CB 0.124 42.719 42.510 0.141 0.000 2.329 545 c HN 0.593 nan 8.230 nan 0.000 0.524 546 V N 5.658 125.605 119.914 0.056 0.000 3.181 546 V HA 0.609 4.730 4.120 0.002 0.000 0.307 546 V C -0.199 176.030 176.094 0.224 0.000 1.310 546 V CA -0.820 61.550 62.300 0.117 0.000 1.067 546 V CB 2.059 33.923 31.823 0.068 0.000 1.081 546 V HN 1.038 nan 8.190 nan 0.000 0.453 547 R N 0.359 120.971 120.500 0.188 0.000 2.840 547 R HA 0.226 4.566 4.340 0.002 0.000 0.282 547 R C 1.605 178.052 176.300 0.246 0.000 1.133 547 R CA 0.925 57.149 56.100 0.207 0.000 1.208 547 R CB 0.571 30.936 30.300 0.109 0.000 1.160 547 R HN 0.902 nan 8.270 nan 0.000 0.576 548 S N 0.141 115.920 115.700 0.133 0.000 2.426 548 S HA -0.185 4.286 4.470 0.002 0.000 0.220 548 S C 1.361 175.541 174.600 -0.700 0.000 1.040 548 S CA 1.740 59.745 58.200 -0.325 0.000 1.094 548 S CB -0.392 62.645 63.200 -0.271 0.000 1.072 548 S HN 0.768 nan 8.310 nan 0.000 0.415 549 E N 0.830 120.795 120.200 -0.391 0.000 2.485 549 E HA 0.001 4.352 4.350 0.002 0.000 0.194 549 E C 0.808 177.283 176.600 -0.209 0.000 1.098 549 E CA 0.455 56.660 56.400 -0.325 0.000 0.878 549 E CB -0.386 29.192 29.700 -0.204 0.000 0.939 549 E HN 0.747 nan 8.360 nan 0.000 0.503 550 E N 0.083 120.186 120.200 -0.162 0.000 2.437 550 E HA 0.099 4.449 4.350 0.002 0.000 0.195 550 E C -0.883 175.697 176.600 -0.033 0.000 1.029 550 E CA -0.300 56.060 56.400 -0.067 0.000 0.948 550 E CB 0.191 29.883 29.700 -0.014 0.000 1.082 550 E HN 0.178 nan 8.360 nan 0.000 0.456 551 c N 1.043 119.602 118.600 -0.068 0.000 2.303 551 c HA 0.274 4.845 4.570 0.002 0.000 0.341 551 c C 1.721 175.810 174.090 -0.003 0.000 1.244 551 c CA -0.547 55.799 56.329 0.028 0.000 1.765 551 c CB -0.828 41.755 42.510 0.122 0.000 2.379 551 c HN 0.571 nan 8.230 nan 0.000 0.530 552 L N 4.575 125.799 121.223 0.002 0.000 2.093 552 L HA 0.014 4.355 4.340 0.002 0.000 0.208 552 L C 1.550 178.411 176.870 -0.015 0.000 1.085 552 L CA 0.990 55.821 54.840 -0.016 0.000 0.755 552 L CB -0.654 41.392 42.059 -0.021 0.000 0.904 552 L HN 0.809 nan 8.230 nan 0.000 0.435 553 S N -1.179 114.521 115.700 -0.000 0.000 2.726 553 S HA 0.563 5.034 4.470 0.002 0.000 0.308 553 S C 0.423 175.044 174.600 0.035 0.000 1.115 553 S CA -0.308 57.888 58.200 -0.008 0.000 0.965 553 S CB 1.527 64.694 63.200 -0.054 0.000 1.145 553 S HN 0.066 nan 8.310 nan 0.000 0.532 554 G N -0.168 108.648 108.800 0.027 0.000 3.455 554 G HA2 0.381 4.342 3.960 0.002 0.000 0.250 554 G HA3 0.381 4.342 3.960 0.002 0.000 0.250 554 G C 0.251 175.202 174.900 0.085 0.000 1.071 554 G CA -0.006 45.129 45.100 0.057 0.000 1.812 554 G HN 0.768 nan 8.290 nan 0.000 0.643 555 T N -0.501 114.127 114.554 0.125 0.000 3.275 555 T HA 0.130 4.481 4.350 0.002 0.000 0.298 555 T C -0.320 174.486 174.700 0.176 0.000 0.988 555 T CA -0.808 61.373 62.100 0.134 0.000 0.936 555 T CB -0.304 68.643 68.868 0.131 0.000 1.159 555 T HN 0.397 nan 8.240 nan 0.000 0.519 556 W N 2.364 123.681 121.300 0.029 0.000 2.311 556 W HA 0.566 5.226 4.660 0.001 0.000 0.310 556 W C -0.014 176.522 176.519 0.028 0.000 1.274 556 W CA 0.271 57.633 57.345 0.029 0.000 1.215 556 W CB 0.765 30.230 29.460 0.008 0.000 1.227 556 W HN 0.116 nan 8.180 nan 0.000 0.523 557 T N 4.084 118.306 114.554 -0.553 0.000 2.802 557 T HA 0.202 4.553 4.350 0.002 0.000 0.311 557 T C -0.345 173.899 174.700 -0.759 0.000 1.405 557 T CA -0.523 61.280 62.100 -0.495 0.000 1.016 557 T CB 1.790 70.546 68.868 -0.186 0.000 1.352 557 T HN 0.522 nan 8.240 nan 0.000 0.498 558 Q N 0.646 120.142 119.800 -0.508 0.000 2.135 558 Q HA 0.328 4.668 4.340 0.002 0.000 0.222 558 Q C 0.873 176.706 176.000 -0.278 0.000 0.808 558 Q CA -0.120 55.442 55.803 -0.403 0.000 1.049 558 Q CB 0.926 29.486 28.738 -0.298 0.000 1.168 558 Q HN 0.576 nan 8.270 nan 0.000 0.483 559 Q N -0.504 119.124 119.800 -0.287 0.000 2.536 559 Q HA 0.180 4.521 4.340 0.002 0.000 0.212 559 Q C 0.110 175.802 176.000 -0.512 0.000 0.743 559 Q CA -0.153 55.451 55.803 -0.332 0.000 0.929 559 Q CB 1.219 29.825 28.738 -0.220 0.000 1.313 559 Q HN 0.172 nan 8.270 nan 0.000 0.524 560 I N 2.191 122.526 120.570 -0.392 0.000 2.389 560 I HA 0.058 4.229 4.170 0.002 0.000 0.295 560 I C -0.382 175.526 176.117 -0.348 0.000 1.117 560 I CA 0.058 61.116 61.300 -0.404 0.000 1.317 560 I CB -0.560 37.334 38.000 -0.177 0.000 1.431 560 I HN 0.244 nan 8.210 nan 0.000 0.521 561 c N 7.703 126.050 118.600 -0.421 0.000 2.322 561 c HA 0.517 5.088 4.570 0.002 0.000 0.324 561 c C 0.506 174.496 174.090 -0.166 0.000 1.249 561 c CA -0.713 55.434 56.329 -0.303 0.000 1.453 561 c CB 0.830 43.151 42.510 -0.315 0.000 2.145 561 c HN 0.575 nan 8.230 nan 0.000 0.466 562 L N 5.552 126.694 121.223 -0.134 0.000 2.375 562 L HA 0.414 4.755 4.340 0.002 0.000 0.271 562 L C -1.906 174.930 176.870 -0.057 0.000 1.107 562 L CA -1.412 53.405 54.840 -0.039 0.000 0.806 562 L CB 0.771 42.822 42.059 -0.012 0.000 1.146 562 L HN 0.328 nan 8.230 nan 0.000 0.447 563 P HA 0.306 nan 4.420 nan 0.000 0.275 563 P C -1.364 175.969 177.300 0.055 0.000 1.270 563 P CA -0.388 62.729 63.100 0.027 0.000 0.791 563 P CB 0.652 32.474 31.700 0.202 0.000 1.089 564 A N 0.305 123.205 122.820 0.133 0.000 2.534 564 A HA 0.500 4.821 4.320 0.002 0.000 0.300 564 A C -1.214 176.611 177.584 0.402 0.000 1.054 564 A CA -0.396 51.789 52.037 0.247 0.000 0.858 564 A CB 0.201 19.333 19.000 0.221 0.000 1.333 564 A HN 0.334 nan 8.150 nan 0.000 0.391 565 I N 3.210 123.985 120.570 0.342 0.000 2.321 565 I HA 0.256 4.427 4.170 0.002 0.000 0.291 565 I C 0.779 177.078 176.117 0.304 0.000 0.998 565 I CA -0.352 61.108 61.300 0.268 0.000 1.227 565 I CB 1.293 39.354 38.000 0.101 0.000 1.368 565 I HN 0.906 nan 8.210 nan 0.000 0.466 566 Y N 6.705 127.089 120.300 0.139 0.000 2.205 566 Y HA 0.178 4.729 4.550 0.001 0.000 0.292 566 Y C 0.760 176.681 175.900 0.036 0.000 1.119 566 Y CA 1.078 59.285 58.100 0.179 0.000 1.117 566 Y CB 0.450 38.961 38.460 0.085 0.000 1.037 566 Y HN 0.491 nan 8.280 nan 0.000 0.510 567 K N -0.580 119.743 120.400 -0.129 0.000 2.568 567 K HA 0.573 4.894 4.320 0.002 0.000 0.273 567 K C -2.161 173.937 176.600 -0.837 0.000 0.951 567 K CA -0.576 55.450 56.287 -0.434 0.000 0.854 567 K CB 2.045 34.389 32.500 -0.260 0.000 1.424 567 K HN -0.147 nan 8.250 nan 0.000 0.427 568 V N 3.005 122.299 119.914 -1.033 0.000 2.735 568 V HA 0.656 4.777 4.120 0.002 0.000 0.310 568 V C -1.316 174.268 176.094 -0.849 0.000 1.061 568 V CA -0.749 61.000 62.300 -0.919 0.000 0.913 568 V CB 1.507 32.918 31.823 -0.687 0.000 1.005 568 V HN 0.602 nan 8.190 nan 0.000 0.428 569 F N 3.892 123.839 119.950 -0.006 0.000 2.539 569 F HA 0.705 5.233 4.527 0.001 0.000 0.318 569 F C -2.453 173.380 175.800 0.055 0.000 1.135 569 F CA -2.586 55.435 58.000 0.034 0.000 0.915 569 F CB 1.660 40.666 39.000 0.011 0.000 1.176 569 F HN 0.287 nan 8.300 nan 0.000 0.440 570 P HA 0.273 nan 4.420 nan 0.000 0.293 570 P C 0.072 177.478 177.300 0.178 0.000 1.304 570 P CA -0.474 62.751 63.100 0.208 0.000 0.767 570 P CB 1.032 32.790 31.700 0.097 0.000 1.247 571 N N -1.531 117.221 118.700 0.086 0.000 2.422 571 N HA 0.026 4.766 4.740 0.002 0.000 0.181 571 N C 0.447 175.796 175.510 -0.267 0.000 1.080 571 N CA 0.419 53.495 53.050 0.043 0.000 0.893 571 N CB 0.219 38.740 38.487 0.056 0.000 0.973 571 N HN 0.438 nan 8.380 nan 0.000 0.456 572 S N -0.462 114.983 115.700 -0.425 0.000 2.851 572 S HA 0.877 5.348 4.470 0.002 0.000 0.313 572 S C -1.100 173.035 174.600 -0.775 0.000 1.163 572 S CA -0.752 57.010 58.200 -0.730 0.000 0.850 572 S CB 2.648 65.636 63.200 -0.354 0.000 1.245 572 S HN 0.056 nan 8.310 nan 0.000 0.558 573 A N 0.050 122.479 122.820 -0.652 0.000 2.610 573 A HA 0.879 5.200 4.320 0.002 0.000 0.291 573 A C -3.412 174.047 177.584 -0.208 0.000 1.086 573 A CA -1.496 50.285 52.037 -0.426 0.000 0.677 573 A CB 0.766 19.415 19.000 -0.584 0.000 1.278 573 A HN 0.589 nan 8.150 nan 0.000 0.414 574 P HA 0.431 nan 4.420 nan 0.000 0.276 574 P C 1.049 178.485 177.300 0.227 0.000 1.244 574 P CA -0.587 62.556 63.100 0.071 0.000 0.801 574 P CB 0.506 32.246 31.700 0.066 0.000 1.006 575 L N 0.344 121.688 121.223 0.203 0.000 1.991 575 L HA -0.261 4.080 4.340 0.002 0.000 0.221 575 L C 1.897 178.908 176.870 0.235 0.000 1.079 575 L CA 2.082 57.057 54.840 0.225 0.000 0.778 575 L CB -0.633 41.493 42.059 0.111 0.000 0.893 575 L HN 0.480 nan 8.230 nan 0.000 0.437 576 E N -0.871 119.434 120.200 0.175 0.000 2.485 576 E HA 0.155 4.505 4.350 0.002 0.000 0.213 576 E C 0.852 177.550 176.600 0.162 0.000 0.923 576 E CA 0.135 56.622 56.400 0.144 0.000 1.054 576 E CB 0.507 30.258 29.700 0.084 0.000 1.077 576 E HN 0.311 nan 8.360 nan 0.000 0.509 577 G N -0.059 108.835 108.800 0.158 0.000 2.568 577 G HA2 0.222 4.183 3.960 0.002 0.000 0.231 577 G HA3 0.222 4.183 3.960 0.002 0.000 0.231 577 G C 0.520 175.501 174.900 0.135 0.000 1.261 577 G CA 0.089 45.260 45.100 0.119 0.000 0.855 577 G HN 0.240 nan 8.290 nan 0.000 0.576 578 G N 0.808 109.661 108.800 0.089 0.000 4.637 578 G HA2 0.438 4.399 3.960 0.002 0.000 0.308 578 G HA3 0.438 4.399 3.960 0.002 0.000 0.308 578 G C 0.732 175.665 174.900 0.056 0.000 1.377 578 G CA 0.249 45.396 45.100 0.079 0.000 1.176 578 G HN 0.994 nan 8.290 nan 0.000 0.601 579 T N -1.301 113.292 114.554 0.065 0.000 2.906 579 T HA 0.159 4.510 4.350 0.002 0.000 0.329 579 T C 0.578 175.303 174.700 0.042 0.000 1.091 579 T CA -0.143 61.988 62.100 0.052 0.000 1.127 579 T CB 1.370 70.278 68.868 0.066 0.000 1.035 579 T HN 0.296 nan 8.240 nan 0.000 0.547 580 R N 0.894 121.412 120.500 0.029 0.000 2.441 580 R HA 0.538 4.879 4.340 0.002 0.000 0.284 580 R C -0.267 176.049 176.300 0.027 0.000 1.070 580 R CA -0.332 55.777 56.100 0.014 0.000 1.047 580 R CB 0.439 30.742 30.300 0.006 0.000 1.016 580 R HN 0.589 nan 8.270 nan 0.000 0.477 581 L N 1.882 123.099 121.223 -0.011 0.000 2.341 581 L HA 0.428 4.769 4.340 0.002 0.000 0.278 581 L C -0.516 176.331 176.870 -0.038 0.000 1.005 581 L CA -0.525 54.299 54.840 -0.028 0.000 0.818 581 L CB 2.332 44.315 42.059 -0.127 0.000 1.259 581 L HN 0.622 nan 8.230 nan 0.000 0.418 582 T N 4.723 119.285 114.554 0.014 0.000 2.809 582 T HA 0.527 4.878 4.350 0.002 0.000 0.296 582 T C -0.090 174.559 174.700 -0.083 0.000 1.015 582 T CA -0.188 61.925 62.100 0.021 0.000 0.954 582 T CB 0.561 69.528 68.868 0.165 0.000 0.950 582 T HN 0.275 nan 8.240 nan 0.000 0.450 583 I N 3.035 123.492 120.570 -0.188 0.000 2.371 583 I HA 0.311 4.482 4.170 0.002 0.000 0.282 583 I C -0.007 175.979 176.117 -0.218 0.000 1.031 583 I CA -0.620 60.503 61.300 -0.295 0.000 1.180 583 I CB 0.735 38.517 38.000 -0.364 0.000 1.336 583 I HN 0.516 nan 8.210 nan 0.000 0.467 584 C N 5.131 124.342 119.300 -0.148 0.000 2.369 584 C HA 0.872 5.333 4.460 0.002 0.000 0.358 584 C C 1.022 175.962 174.990 -0.083 0.000 1.274 584 C CA 0.097 59.069 59.018 -0.077 0.000 1.935 584 C CB 0.084 27.805 27.740 -0.033 0.000 2.431 584 C HN 1.035 nan 8.230 nan 0.000 0.545 585 G N 2.230 110.961 108.800 -0.116 0.000 2.510 585 G HA2 0.514 4.475 3.960 0.002 0.000 0.277 585 G HA3 0.514 4.475 3.960 0.002 0.000 0.277 585 G C -1.894 172.506 174.900 -0.834 0.000 1.223 585 G CA -0.393 44.476 45.100 -0.385 0.000 0.887 585 G HN 0.650 nan 8.290 nan 0.000 0.485 586 W N 0.575 121.572 121.300 -0.506 0.000 2.844 586 W HA 0.467 5.128 4.660 0.001 0.000 0.340 586 W C -0.800 175.115 176.519 -1.006 0.000 1.093 586 W CA -0.175 56.794 57.345 -0.628 0.000 1.212 586 W CB 1.673 30.906 29.460 -0.378 0.000 1.422 586 W HN 0.573 nan 8.180 nan 0.000 0.515 587 D N 1.955 122.011 120.400 -0.574 0.000 3.729 587 D HA -0.203 4.438 4.640 0.002 0.000 0.242 587 D C -0.357 175.652 176.300 -0.485 0.000 1.091 587 D CA 0.921 54.657 54.000 -0.441 0.000 1.096 587 D CB -1.778 38.825 40.800 -0.329 0.000 0.901 587 D HN 0.214 nan 8.370 nan 0.000 0.416 588 F N -0.162 119.816 119.950 0.046 0.000 2.746 588 F HA 0.325 4.853 4.527 0.001 0.000 0.320 588 F C 1.823 177.691 175.800 0.113 0.000 1.097 588 F CA -0.045 57.991 58.000 0.061 0.000 1.195 588 F CB 0.765 39.774 39.000 0.015 0.000 1.056 588 F HN 0.268 nan 8.300 nan 0.000 0.562 589 G N -0.470 108.511 108.800 0.301 0.000 2.434 589 G HA2 0.427 4.388 3.960 0.002 0.000 0.330 589 G HA3 0.427 4.388 3.960 0.002 0.000 0.330 589 G C -1.471 173.680 174.900 0.418 0.000 1.155 589 G CA -0.387 44.928 45.100 0.359 0.000 0.917 589 G HN -0.035 nan 8.290 nan 0.000 0.493 590 F N 0.770 120.762 119.950 0.070 0.000 2.377 590 F HA 0.604 5.132 4.527 0.002 0.000 0.328 590 F C 0.642 176.024 175.800 -0.696 0.000 1.094 590 F CA -1.196 56.733 58.000 -0.118 0.000 1.093 590 F CB 1.439 40.353 39.000 -0.143 0.000 1.214 590 F HN 0.293 nan 8.300 nan 0.000 0.518 591 R N 4.820 124.443 120.500 -1.462 0.000 2.229 591 R HA 0.572 4.912 4.340 0.002 0.000 0.328 591 R C -1.295 174.524 176.300 -0.803 0.000 1.009 591 R CA -0.342 54.859 56.100 -1.498 0.000 0.864 591 R CB 0.882 30.630 30.300 -0.919 0.000 1.085 591 R HN 0.881 nan 8.270 nan 0.000 0.453 592 R N 2.293 122.475 120.500 -0.532 0.000 3.429 592 R HA 0.047 4.388 4.340 0.002 0.000 0.277 592 R C -0.540 175.688 176.300 -0.119 0.000 0.978 592 R CA -0.024 55.951 56.100 -0.209 0.000 0.891 592 R CB -0.160 30.111 30.300 -0.048 0.000 1.299 592 R HN 0.766 nan 8.270 nan 0.000 0.541 593 N N 1.438 120.101 118.700 -0.060 0.000 2.713 593 N HA -0.267 4.474 4.740 0.002 0.000 0.251 593 N C -0.235 175.267 175.510 -0.015 0.000 1.117 593 N CA 1.990 55.024 53.050 -0.026 0.000 0.770 593 N CB -0.624 37.856 38.487 -0.013 0.000 1.137 593 N HN 0.719 nan 8.380 nan 0.000 0.566 594 N N -2.637 116.047 118.700 -0.027 0.000 2.366 594 N HA -0.211 4.530 4.740 0.002 0.000 0.211 594 N C -0.484 175.102 175.510 0.128 0.000 1.174 594 N CA 2.067 55.133 53.050 0.026 0.000 2.731 594 N CB -1.021 37.476 38.487 0.017 0.000 0.831 594 N HN 0.627 nan 8.380 nan 0.000 0.452 595 K N 0.016 120.470 120.400 0.089 0.000 2.168 595 K HA 0.438 4.759 4.320 0.002 0.000 0.258 595 K C -0.439 176.264 176.600 0.170 0.000 1.010 595 K CA 0.084 56.474 56.287 0.172 0.000 0.929 595 K CB 0.400 32.957 32.500 0.096 0.000 0.998 595 K HN -0.012 nan 8.250 nan 0.000 0.479 596 F N 1.433 121.386 119.950 0.006 0.000 2.529 596 F HA 0.232 4.760 4.527 0.002 0.000 0.320 596 F C -0.058 175.767 175.800 0.043 0.000 1.118 596 F CA -1.015 56.998 58.000 0.023 0.000 0.915 596 F CB 1.577 40.571 39.000 -0.010 0.000 1.161 596 F HN 0.586 nan 8.300 nan 0.000 0.445 597 D N 1.773 122.282 120.400 0.182 0.000 2.566 597 D HA 0.333 4.974 4.640 0.002 0.000 0.254 597 D C -0.590 175.788 176.300 0.130 0.000 1.090 597 D CA -0.585 53.492 54.000 0.127 0.000 1.034 597 D CB 1.392 42.232 40.800 0.067 0.000 1.434 597 D HN 0.470 nan 8.370 nan 0.000 0.509 598 L N 0.731 122.005 121.223 0.085 0.000 2.928 598 L HA 0.214 4.555 4.340 0.002 0.000 0.236 598 L C 1.921 178.803 176.870 0.020 0.000 1.290 598 L CA -0.336 54.545 54.840 0.069 0.000 1.099 598 L CB -0.137 41.948 42.059 0.044 0.000 1.437 598 L HN 0.392 nan 8.230 nan 0.000 0.493 599 K N 1.348 121.752 120.400 0.007 0.000 1.967 599 K HA -0.093 4.228 4.320 0.002 0.000 0.212 599 K C 0.932 177.485 176.600 -0.079 0.000 1.044 599 K CA 1.219 57.477 56.287 -0.047 0.000 0.942 599 K CB 0.189 32.643 32.500 -0.077 0.000 0.726 599 K HN 0.191 nan 8.250 nan 0.000 0.440 600 K N 1.655 121.985 120.400 -0.116 0.000 3.165 600 K HA 0.051 4.372 4.320 0.002 0.000 0.270 600 K C -0.813 175.760 176.600 -0.045 0.000 1.111 600 K CA 0.095 56.292 56.287 -0.149 0.000 1.216 600 K CB 0.392 32.694 32.500 -0.330 0.000 1.229 600 K HN 0.089 nan 8.250 nan 0.000 0.435 601 T N 1.113 115.656 114.554 -0.019 0.000 2.756 601 T HA 0.319 4.670 4.350 0.002 0.000 0.290 601 T C -0.554 174.126 174.700 -0.034 0.000 0.985 601 T CA -0.692 61.412 62.100 0.006 0.000 0.955 601 T CB 1.019 69.902 68.868 0.025 0.000 0.930 601 T HN 0.145 nan 8.240 nan 0.000 0.451 602 R N 2.664 123.144 120.500 -0.034 0.000 2.561 602 R HA 0.667 5.008 4.340 0.002 0.000 0.297 602 R C -1.575 174.688 176.300 -0.062 0.000 0.969 602 R CA -0.569 55.500 56.100 -0.052 0.000 0.879 602 R CB 1.108 31.379 30.300 -0.047 0.000 1.178 602 R HN 0.440 nan 8.270 nan 0.000 0.445 603 V N 5.176 125.039 119.914 -0.084 0.000 2.483 603 V HA 0.520 4.641 4.120 0.002 0.000 0.295 603 V C -0.750 175.293 176.094 -0.085 0.000 1.035 603 V CA -0.878 61.361 62.300 -0.102 0.000 0.896 603 V CB 1.708 33.443 31.823 -0.145 0.000 0.986 603 V HN 0.539 nan 8.190 nan 0.000 0.447 604 L N 5.655 126.831 121.223 -0.078 0.000 2.415 604 L HA 0.499 4.840 4.340 0.002 0.000 0.268 604 L C -0.945 175.881 176.870 -0.075 0.000 0.984 604 L CA -0.496 54.305 54.840 -0.066 0.000 0.853 604 L CB 1.527 43.559 42.059 -0.045 0.000 1.215 604 L HN 0.615 nan 8.230 nan 0.000 0.419 605 L N 6.000 127.172 121.223 -0.085 0.000 2.282 605 L HA 0.615 4.955 4.340 0.002 0.000 0.287 605 L C 0.984 177.827 176.870 -0.046 0.000 1.075 605 L CA 1.242 56.030 54.840 -0.086 0.000 0.839 605 L CB 0.390 42.379 42.059 -0.116 0.000 1.219 605 L HN 0.906 nan 8.230 nan 0.000 0.434 606 G N 4.785 113.561 108.800 -0.040 0.000 3.181 606 G HA2 -0.464 3.497 3.960 0.002 0.000 0.322 606 G HA3 -0.464 3.497 3.960 0.002 0.000 0.322 606 G C 0.914 175.764 174.900 -0.083 0.000 1.246 606 G CA 0.666 45.724 45.100 -0.070 0.000 0.989 606 G HN 0.690 nan 8.290 nan 0.000 0.607 607 N N 0.701 119.335 118.700 -0.110 0.000 2.297 607 N HA 0.122 4.863 4.740 0.002 0.000 0.208 607 N C 0.002 175.467 175.510 -0.074 0.000 1.176 607 N CA 0.569 53.566 53.050 -0.089 0.000 0.882 607 N CB 0.386 38.811 38.487 -0.104 0.000 1.134 607 N HN 0.449 nan 8.380 nan 0.000 0.489 608 E N 1.687 121.839 120.200 -0.079 0.000 2.220 608 E HA 0.052 4.403 4.350 0.002 0.000 0.272 608 E C -0.179 176.393 176.600 -0.046 0.000 1.099 608 E CA -0.018 56.348 56.400 -0.056 0.000 0.907 608 E CB 0.619 30.290 29.700 -0.047 0.000 1.022 608 E HN 0.309 nan 8.360 nan 0.000 0.428 609 S N 1.892 117.566 115.700 -0.044 0.000 2.558 609 S HA 0.035 4.506 4.470 0.002 0.000 0.288 609 S C 0.473 175.045 174.600 -0.046 0.000 1.318 609 S CA -0.786 57.387 58.200 -0.046 0.000 1.056 609 S CB 0.688 63.863 63.200 -0.041 0.000 0.853 609 S HN 0.527 nan 8.310 nan 0.000 0.505 610 c N 3.320 121.884 118.600 -0.060 0.000 2.365 610 c HA 0.785 5.356 4.570 0.002 0.000 0.349 610 c C 0.715 174.767 174.090 -0.063 0.000 1.191 610 c CA -0.249 56.039 56.329 -0.067 0.000 2.114 610 c CB 0.900 43.349 42.510 -0.101 0.000 2.367 610 c HN 1.032 nan 8.230 nan 0.000 0.530 611 T N 3.436 117.956 114.554 -0.057 0.000 2.770 611 T HA 0.509 4.860 4.350 0.002 0.000 0.297 611 T C -0.695 173.969 174.700 -0.061 0.000 0.997 611 T CA -0.430 61.639 62.100 -0.051 0.000 0.949 611 T CB 0.337 69.184 68.868 -0.036 0.000 0.941 611 T HN 0.547 nan 8.240 nan 0.000 0.457 612 L N 4.261 125.445 121.223 -0.065 0.000 2.276 612 L HA 0.405 4.746 4.340 0.002 0.000 0.286 612 L C 0.822 177.658 176.870 -0.056 0.000 1.061 612 L CA -0.809 53.988 54.840 -0.072 0.000 0.807 612 L CB 1.456 43.465 42.059 -0.083 0.000 1.177 612 L HN 0.872 nan 8.230 nan 0.000 0.429 613 T N 1.421 115.943 114.554 -0.054 0.000 2.992 613 T HA 0.252 4.603 4.350 0.002 0.000 0.299 613 T C 1.473 176.148 174.700 -0.043 0.000 1.027 613 T CA -0.627 61.447 62.100 -0.043 0.000 1.001 613 T CB 0.112 68.958 68.868 -0.037 0.000 1.005 613 T HN 0.444 nan 8.240 nan 0.000 0.599 614 L N 2.139 123.339 121.223 -0.039 0.000 2.127 614 L HA -0.172 4.169 4.340 0.002 0.000 0.211 614 L C 3.056 179.911 176.870 -0.025 0.000 1.089 614 L CA 1.651 56.471 54.840 -0.033 0.000 0.757 614 L CB -0.909 41.133 42.059 -0.027 0.000 0.899 614 L HN 0.794 nan 8.230 nan 0.000 0.434 615 S N -0.211 115.475 115.700 -0.023 0.000 2.370 615 S HA -0.224 4.247 4.470 0.002 0.000 0.226 615 S C 1.609 176.197 174.600 -0.021 0.000 1.033 615 S CA 1.267 59.456 58.200 -0.019 0.000 1.011 615 S CB -0.372 62.817 63.200 -0.018 0.000 0.852 615 S HN 0.527 nan 8.310 nan 0.000 0.457 616 E N 1.221 121.405 120.200 -0.026 0.000 2.502 616 E HA 0.184 4.535 4.350 0.002 0.000 0.194 616 E C -0.104 176.476 176.600 -0.033 0.000 1.062 616 E CA -0.019 56.364 56.400 -0.028 0.000 0.867 616 E CB 0.206 29.889 29.700 -0.029 0.000 0.888 616 E HN 0.432 nan 8.360 nan 0.000 0.510 617 S N 0.820 116.498 115.700 -0.036 0.000 2.578 617 S HA 0.312 4.783 4.470 0.002 0.000 0.283 617 S C 0.278 174.868 174.600 -0.016 0.000 1.195 617 S CA -0.667 57.507 58.200 -0.043 0.000 1.050 617 S CB 1.713 64.873 63.200 -0.067 0.000 1.012 617 S HN 0.239 nan 8.310 nan 0.000 0.511 618 T N -0.660 113.892 114.554 -0.004 0.000 2.807 618 T HA 0.426 4.777 4.350 0.002 0.000 0.277 618 T C 0.986 175.740 174.700 0.091 0.000 1.006 618 T CA -0.893 61.223 62.100 0.026 0.000 1.006 618 T CB 0.493 69.365 68.868 0.007 0.000 1.274 618 T HN 0.273 nan 8.240 nan 0.000 0.569 619 M N 1.139 120.790 119.600 0.087 0.000 2.632 619 M HA 0.087 4.568 4.480 0.002 0.000 0.256 619 M C 0.747 177.143 176.300 0.160 0.000 1.080 619 M CA 0.947 56.319 55.300 0.121 0.000 1.084 619 M CB -1.296 31.312 32.600 0.015 0.000 1.439 619 M HN 0.601 nan 8.290 nan 0.000 0.509 620 N N -1.028 117.755 118.700 0.140 0.000 2.218 620 N HA 0.072 4.813 4.740 0.002 0.000 0.224 620 N C -0.309 175.296 175.510 0.158 0.000 1.248 620 N CA 0.319 53.426 53.050 0.096 0.000 0.875 620 N CB 1.096 39.501 38.487 -0.137 0.000 1.165 620 N HN 0.117 nan 8.380 nan 0.000 0.485 621 T N 2.133 116.722 114.554 0.059 0.000 2.788 621 T HA 0.416 4.767 4.350 0.002 0.000 0.296 621 T C -0.662 173.971 174.700 -0.111 0.000 1.009 621 T CA -0.362 61.719 62.100 -0.031 0.000 0.949 621 T CB 1.590 70.440 68.868 -0.029 0.000 0.946 621 T HN -0.160 nan 8.240 nan 0.000 0.453 622 L N 4.036 125.113 121.223 -0.242 0.000 2.280 622 L HA 0.447 4.788 4.340 0.002 0.000 0.287 622 L C 0.227 176.976 176.870 -0.201 0.000 1.023 622 L CA -0.315 54.343 54.840 -0.303 0.000 0.819 622 L CB 0.993 42.713 42.059 -0.564 0.000 1.212 622 L HN 0.471 nan 8.230 nan 0.000 0.420 623 K N 3.168 123.483 120.400 -0.141 0.000 2.389 623 K HA 0.449 4.770 4.320 0.002 0.000 0.261 623 K C -0.847 175.692 176.600 -0.102 0.000 1.014 623 K CA -0.338 55.889 56.287 -0.100 0.000 0.920 623 K CB 1.525 33.987 32.500 -0.063 0.000 1.149 623 K HN 0.588 nan 8.250 nan 0.000 0.444 624 c N 2.212 120.745 118.600 -0.112 0.000 2.595 624 c HA 0.632 5.203 4.570 0.002 0.000 0.338 624 c C -0.238 173.806 174.090 -0.076 0.000 1.219 624 c CA -0.252 56.014 56.329 -0.105 0.000 1.811 624 c CB 1.169 43.594 42.510 -0.142 0.000 2.313 624 c HN 0.898 nan 8.230 nan 0.000 0.499 625 T N 2.493 117.012 114.554 -0.059 0.000 2.833 625 T HA 0.546 4.897 4.350 0.002 0.000 0.297 625 T C 0.039 174.728 174.700 -0.019 0.000 1.015 625 T CA -0.434 61.647 62.100 -0.031 0.000 0.963 625 T CB 0.581 69.438 68.868 -0.019 0.000 0.955 625 T HN 1.081 nan 8.240 nan 0.000 0.449 626 V N 1.238 121.152 119.914 0.000 0.000 4.129 626 V HA 1.017 5.138 4.120 0.002 0.000 0.269 626 V C 1.004 177.158 176.094 0.101 0.000 1.086 626 V CA 0.164 62.486 62.300 0.037 0.000 0.790 626 V CB -0.324 31.523 31.823 0.040 0.000 1.195 626 V HN 1.747 nan 8.190 nan 0.000 0.397 635 N N 1.406 120.332 118.700 0.376 0.000 2.628 635 N HA 0.313 5.054 4.740 0.002 0.000 0.299 635 N C -1.066 174.562 175.510 0.195 0.000 1.834 635 N CA -0.012 53.165 53.050 0.211 0.000 0.871 635 N CB 0.241 38.803 38.487 0.125 0.000 1.377 635 N HN 0.534 nan 8.380 nan 0.000 0.493 636 M N -0.415 119.335 119.600 0.250 0.000 2.036 636 M HA 0.193 4.674 4.480 0.002 0.000 0.276 636 M C 0.758 177.150 176.300 0.152 0.000 1.262 636 M CA 0.107 55.504 55.300 0.162 0.000 1.097 636 M CB 0.360 33.036 32.600 0.126 0.000 1.386 636 M HN 0.122 nan 8.290 nan 0.000 0.482 637 S N -0.308 115.448 115.700 0.093 0.000 2.648 637 S HA 0.768 5.239 4.470 0.002 0.000 0.305 637 S C -0.948 173.694 174.600 0.070 0.000 1.094 637 S CA -0.890 57.360 58.200 0.084 0.000 0.983 637 S CB 0.846 64.073 63.200 0.046 0.000 1.101 637 S HN 0.493 nan 8.310 nan 0.000 0.514 638 I N 2.764 123.390 120.570 0.093 0.000 2.441 638 I HA 0.508 4.679 4.170 0.002 0.000 0.295 638 I C -1.178 174.959 176.117 0.033 0.000 0.994 638 I CA -0.829 60.484 61.300 0.023 0.000 1.144 638 I CB 1.740 39.731 38.000 -0.015 0.000 1.314 638 I HN 0.439 nan 8.210 nan 0.000 0.445 639 I N 6.274 126.839 120.570 -0.009 0.000 2.569 639 I HA 0.505 4.676 4.170 0.002 0.000 0.296 639 I C -0.483 175.629 176.117 -0.009 0.000 1.028 639 I CA -0.291 61.014 61.300 0.008 0.000 1.082 639 I CB 2.016 40.018 38.000 0.003 0.000 1.264 639 I HN 0.348 nan 8.210 nan 0.000 0.429 640 I N 3.528 124.114 120.570 0.027 0.000 2.500 640 I HA 0.331 4.502 4.170 0.002 0.000 0.286 640 I C -0.643 175.520 176.117 0.077 0.000 1.063 640 I CA -0.409 60.909 61.300 0.031 0.000 1.062 640 I CB 2.028 40.058 38.000 0.049 0.000 1.223 640 I HN 0.501 nan 8.210 nan 0.000 0.435 641 S N 4.364 120.095 115.700 0.053 0.000 2.451 641 S HA 0.374 4.845 4.470 0.002 0.000 0.301 641 S C 0.204 174.858 174.600 0.091 0.000 1.116 641 S CA -0.654 57.585 58.200 0.066 0.000 1.093 641 S CB 0.677 63.891 63.200 0.023 0.000 1.017 641 S HN 0.711 nan 8.310 nan 0.000 0.482 642 N N 3.256 122.039 118.700 0.138 0.000 2.328 642 N HA 0.270 5.011 4.740 0.002 0.000 0.247 642 N C 1.050 176.648 175.510 0.147 0.000 1.165 642 N CA 0.217 53.376 53.050 0.181 0.000 0.873 642 N CB 0.186 38.829 38.487 0.260 0.000 1.125 642 N HN 0.972 nan 8.380 nan 0.000 0.513 643 G N -0.080 108.731 108.800 0.018 0.000 2.268 643 G HA2 -0.364 3.597 3.960 0.002 0.000 0.240 643 G HA3 -0.364 3.597 3.960 0.002 0.000 0.240 643 G C 0.684 175.472 174.900 -0.187 0.000 1.010 643 G CA 0.632 45.653 45.100 -0.133 0.000 0.618 643 G HN 0.582 nan 8.290 nan 0.000 0.516 644 H N -0.262 118.903 119.070 0.158 0.000 2.393 644 H HA 0.508 5.065 4.556 0.002 0.000 0.301 644 H C 1.660 177.025 175.328 0.062 0.000 1.019 644 H CA 0.998 57.108 56.048 0.103 0.000 1.311 644 H CB 0.498 30.297 29.762 0.062 0.000 1.475 644 H HN 0.710 nan 8.280 nan 0.000 0.572 645 G N -0.592 108.320 108.800 0.188 0.000 2.921 645 G HA2 0.512 4.473 3.960 0.002 0.000 0.291 645 G HA3 0.512 4.473 3.960 0.002 0.000 0.291 645 G C -0.937 174.023 174.900 0.099 0.000 1.370 645 G CA -0.181 44.988 45.100 0.115 0.000 0.847 645 G HN 0.330 nan 8.290 nan 0.000 0.532 646 T N -3.315 111.287 114.554 0.081 0.000 2.841 646 T HA 0.814 5.165 4.350 0.002 0.000 0.296 646 T C -0.564 174.186 174.700 0.084 0.000 1.166 646 T CA -0.465 61.684 62.100 0.081 0.000 1.007 646 T CB 1.872 70.775 68.868 0.058 0.000 1.253 646 T HN 0.737 nan 8.240 nan 0.000 0.511 647 T N 1.502 116.114 114.554 0.096 0.000 2.838 647 T HA 0.746 5.097 4.350 0.002 0.000 0.292 647 T C -1.210 173.549 174.700 0.098 0.000 1.113 647 T CA -0.957 61.205 62.100 0.104 0.000 1.008 647 T CB 1.890 70.842 68.868 0.139 0.000 1.259 647 T HN 0.977 nan 8.240 nan 0.000 0.520 648 Q N 0.302 120.168 119.800 0.110 0.000 2.587 648 Q HA 0.589 4.930 4.340 0.002 0.000 0.293 648 Q C -1.940 174.177 176.000 0.194 0.000 1.083 648 Q CA -1.112 54.760 55.803 0.115 0.000 0.792 648 Q CB 2.268 31.050 28.738 0.074 0.000 1.484 648 Q HN 0.817 nan 8.270 nan 0.000 0.446 649 Y N -0.185 120.125 120.300 0.018 0.000 2.264 649 Y HA 0.341 4.892 4.550 0.001 0.000 0.321 649 Y C -1.460 174.458 175.900 0.031 0.000 1.199 649 Y CA -0.139 57.971 58.100 0.016 0.000 1.175 649 Y CB 1.555 40.014 38.460 -0.001 0.000 1.213 649 Y HN 0.636 nan 8.280 nan 0.000 0.414 650 S N 3.722 119.239 115.700 -0.306 0.000 2.560 650 S HA 0.152 4.623 4.470 0.002 0.000 0.227 650 S C 0.686 175.128 174.600 -0.264 0.000 1.280 650 S CA 0.088 58.180 58.200 -0.180 0.000 1.260 650 S CB 0.452 63.600 63.200 -0.086 0.000 1.002 650 S HN 0.811 nan 8.310 nan 0.000 0.509 651 T N 0.345 114.642 114.554 -0.429 0.000 3.018 651 T HA 0.241 4.592 4.350 0.002 0.000 0.246 651 T C 0.322 175.030 174.700 0.014 0.000 1.026 651 T CA -0.283 61.668 62.100 -0.249 0.000 1.081 651 T CB -0.073 68.571 68.868 -0.374 0.000 0.970 651 T HN 0.483 nan 8.240 nan 0.000 0.475 652 F N 3.845 123.807 119.950 0.020 0.000 2.590 652 F HA 0.212 4.740 4.527 0.002 0.000 0.389 652 F C 0.207 176.032 175.800 0.042 0.000 1.049 652 F CA 0.095 58.131 58.000 0.061 0.000 1.199 652 F CB 0.165 39.221 39.000 0.094 0.000 1.058 652 F HN -0.065 nan 8.300 nan 0.000 0.556 653 S N 5.212 120.690 115.700 -0.371 0.000 2.600 653 S HA 0.349 4.820 4.470 0.002 0.000 0.300 653 S C -0.905 173.515 174.600 -0.301 0.000 1.087 653 S CA -0.488 57.620 58.200 -0.153 0.000 0.965 653 S CB 1.291 64.436 63.200 -0.091 0.000 1.089 653 S HN 0.538 nan 8.310 nan 0.000 0.496 654 Y N 1.849 122.132 120.300 -0.028 0.000 2.833 654 Y HA 0.260 4.811 4.550 0.002 0.000 0.339 654 Y C 0.616 176.512 175.900 -0.007 0.000 1.032 654 Y CA -0.620 57.487 58.100 0.012 0.000 1.450 654 Y CB -0.334 38.233 38.460 0.180 0.000 1.296 654 Y HN 0.522 nan 8.280 nan 0.000 0.535 655 V N -1.476 118.451 119.914 0.023 0.000 3.083 655 V HA -0.105 4.016 4.120 0.002 0.000 0.303 655 V C 0.278 176.393 176.094 0.035 0.000 1.151 655 V CA -0.423 61.885 62.300 0.014 0.000 1.275 655 V CB 0.691 32.494 31.823 -0.033 0.000 0.950 655 V HN 0.302 nan 8.190 nan 0.000 0.506 656 D N 3.826 124.240 120.400 0.024 0.000 2.317 656 D HA 0.462 5.103 4.640 0.002 0.000 0.234 656 D C -2.572 173.735 176.300 0.012 0.000 1.112 656 D CA -2.106 51.910 54.000 0.026 0.000 0.840 656 D CB 1.196 42.005 40.800 0.015 0.000 1.078 656 D HN 0.542 nan 8.370 nan 0.000 0.486 657 P HA 0.206 nan 4.420 nan 0.000 0.276 657 P C -1.017 176.290 177.300 0.010 0.000 1.243 657 P CA -0.398 62.707 63.100 0.009 0.000 0.768 657 P CB 1.038 32.747 31.700 0.015 0.000 0.856 658 V N 4.673 124.590 119.914 0.005 0.000 2.888 658 V HA 0.381 4.502 4.120 0.002 0.000 0.309 658 V C -0.100 175.995 176.094 0.002 0.000 1.114 658 V CA -0.596 61.707 62.300 0.005 0.000 0.940 658 V CB 2.330 34.155 31.823 0.003 0.000 1.021 658 V HN 0.327 nan 8.190 nan 0.000 0.426 659 I N 2.835 123.408 120.570 0.005 0.000 2.306 659 I HA 0.261 4.432 4.170 0.002 0.000 0.288 659 I C 1.523 177.642 176.117 0.004 0.000 1.036 659 I CA -0.042 61.260 61.300 0.003 0.000 1.221 659 I CB 1.418 39.421 38.000 0.006 0.000 1.385 659 I HN 0.838 nan 8.210 nan 0.000 0.472 660 T N 3.096 117.651 114.554 0.001 0.000 2.564 660 T HA -0.096 4.255 4.350 0.002 0.000 0.259 660 T C 0.888 175.591 174.700 0.004 0.000 1.087 660 T CA 1.435 63.536 62.100 0.002 0.000 1.184 660 T CB 0.239 69.107 68.868 -0.001 0.000 0.864 660 T HN 0.521 nan 8.240 nan 0.000 0.403 661 S N -0.969 114.732 115.700 0.002 0.000 2.661 661 S HA 0.729 5.200 4.470 0.002 0.000 0.285 661 S C -1.634 172.969 174.600 0.005 0.000 1.138 661 S CA -0.919 57.285 58.200 0.006 0.000 0.855 661 S CB 1.466 64.668 63.200 0.004 0.000 1.136 661 S HN 0.522 nan 8.310 nan 0.000 0.484 662 I N 1.749 122.327 120.570 0.013 0.000 2.569 662 I HA 0.689 4.860 4.170 0.002 0.000 0.290 662 I C -1.178 174.951 176.117 0.021 0.000 1.088 662 I CA 0.009 61.319 61.300 0.017 0.000 1.047 662 I CB 1.895 39.918 38.000 0.039 0.000 1.237 662 I HN 0.594 nan 8.210 nan 0.000 0.421 663 S N 7.247 122.951 115.700 0.006 0.000 2.533 663 S HA 0.667 5.138 4.470 0.002 0.000 0.271 663 S C -2.862 171.726 174.600 -0.020 0.000 1.143 663 S CA -1.018 57.178 58.200 -0.008 0.000 0.891 663 S CB 2.206 65.393 63.200 -0.023 0.000 1.105 663 S HN 0.381 nan 8.310 nan 0.000 0.468 664 P HA 0.386 nan 4.420 nan 0.000 0.274 664 P C -0.068 177.220 177.300 -0.021 0.000 1.237 664 P CA -0.364 62.673 63.100 -0.104 0.000 0.793 664 P CB 0.486 32.045 31.700 -0.236 0.000 0.977 665 K N 0.602 120.915 120.400 -0.145 0.000 2.211 665 K HA 0.015 4.336 4.320 0.002 0.000 0.201 665 K C 0.668 177.004 176.600 -0.441 0.000 1.052 665 K CA 1.071 57.291 56.287 -0.111 0.000 0.973 665 K CB -0.153 32.335 32.500 -0.021 0.000 0.766 665 K HN 0.566 nan 8.250 nan 0.000 0.466 666 Y N -0.841 119.194 120.300 -0.442 0.000 2.654 666 Y HA 0.749 5.300 4.550 0.002 0.000 0.327 666 Y C 0.173 175.793 175.900 -0.468 0.000 1.122 666 Y CA -1.241 56.447 58.100 -0.687 0.000 1.227 666 Y CB 1.156 39.421 38.460 -0.325 0.000 1.370 666 Y HN -0.065 nan 8.280 nan 0.000 0.528 667 G N -0.720 108.017 108.800 -0.106 0.000 2.441 667 G HA2 0.456 4.417 3.960 0.002 0.000 0.294 667 G HA3 0.456 4.417 3.960 0.002 0.000 0.294 667 G C -3.450 171.583 174.900 0.222 0.000 1.393 667 G CA -1.646 43.594 45.100 0.233 0.000 0.796 667 G HN 0.447 nan 8.290 nan 0.000 0.494 668 P HA 0.055 nan 4.420 nan 0.000 0.262 668 P C 1.276 178.725 177.300 0.248 0.000 1.182 668 P CA -0.040 63.171 63.100 0.185 0.000 0.761 668 P CB 0.652 32.440 31.700 0.147 0.000 0.795 669 M N 4.074 123.808 119.600 0.224 0.000 2.082 669 M HA -0.268 4.213 4.480 0.002 0.000 0.258 669 M C 1.626 178.104 176.300 0.295 0.000 1.069 669 M CA 2.592 58.056 55.300 0.275 0.000 1.102 669 M CB -0.465 32.239 32.600 0.172 0.000 1.336 669 M HN 0.421 nan 8.290 nan 0.000 0.404 670 A N 0.034 122.972 122.820 0.197 0.000 1.835 670 A HA 0.242 4.563 4.320 0.002 0.000 0.215 670 A C 1.239 178.950 177.584 0.211 0.000 1.199 670 A CA 1.562 53.691 52.037 0.153 0.000 0.615 670 A CB -1.186 17.873 19.000 0.097 0.000 0.838 670 A HN 0.872 nan 8.150 nan 0.000 0.444 671 G N -4.006 104.918 108.800 0.206 0.000 3.326 671 G HA2 0.518 4.479 3.960 0.002 0.000 0.681 671 G HA3 0.518 4.479 3.960 0.002 0.000 0.681 671 G C 0.242 175.203 174.900 0.101 0.000 1.255 671 G CA 0.053 45.278 45.100 0.208 0.000 0.976 671 G HN 1.793 nan 8.290 nan 0.000 0.563 672 G N -0.078 108.764 108.800 0.071 0.000 4.731 672 G HA2 0.511 4.472 3.960 0.002 0.000 0.219 672 G HA3 0.511 4.472 3.960 0.002 0.000 0.219 672 G C 0.269 175.210 174.900 0.069 0.000 0.668 672 G CA 1.070 46.195 45.100 0.042 0.000 0.964 672 G HN 1.502 nan 8.290 nan 0.000 0.679 673 T N 0.927 115.519 114.554 0.064 0.000 2.913 673 T HA 0.543 4.894 4.350 0.002 0.000 0.287 673 T C 0.144 174.893 174.700 0.082 0.000 1.008 673 T CA -0.389 61.754 62.100 0.072 0.000 1.067 673 T CB 0.948 69.846 68.868 0.050 0.000 0.996 673 T HN 0.473 nan 8.240 nan 0.000 0.513 674 L N 5.708 126.986 121.223 0.092 0.000 2.369 674 L HA 0.487 4.828 4.340 0.002 0.000 0.279 674 L C -0.886 175.920 176.870 -0.107 0.000 1.108 674 L CA -0.305 54.517 54.840 -0.030 0.000 0.852 674 L CB 0.145 42.191 42.059 -0.022 0.000 1.169 674 L HN 0.507 nan 8.230 nan 0.000 0.452 675 L N 5.418 126.536 121.223 -0.176 0.000 2.282 675 L HA 0.567 4.908 4.340 0.002 0.000 0.288 675 L C -0.252 176.533 176.870 -0.142 0.000 1.033 675 L CA 0.197 54.940 54.840 -0.162 0.000 0.807 675 L CB 1.352 43.267 42.059 -0.239 0.000 1.209 675 L HN 0.744 nan 8.230 nan 0.000 0.423 676 T N 6.114 120.612 114.554 -0.094 0.000 2.770 676 T HA 0.604 4.955 4.350 0.002 0.000 0.283 676 T C -0.099 174.567 174.700 -0.055 0.000 0.988 676 T CA -0.435 61.616 62.100 -0.081 0.000 0.957 676 T CB 0.825 69.653 68.868 -0.065 0.000 0.930 676 T HN 0.370 nan 8.240 nan 0.000 0.443 677 L N 2.798 123.987 121.223 -0.056 0.000 2.331 677 L HA 0.697 5.038 4.340 0.002 0.000 0.275 677 L C 0.264 177.116 176.870 -0.030 0.000 1.022 677 L CA -0.800 54.018 54.840 -0.037 0.000 0.812 677 L CB 1.867 43.902 42.059 -0.039 0.000 1.257 677 L HN 0.633 nan 8.230 nan 0.000 0.435 678 T N 0.246 114.788 114.554 -0.019 0.000 2.907 678 T HA 0.856 5.207 4.350 0.002 0.000 0.292 678 T C 0.133 174.826 174.700 -0.012 0.000 1.043 678 T CA -0.113 61.977 62.100 -0.016 0.000 1.003 678 T CB 2.249 71.109 68.868 -0.013 0.000 1.084 678 T HN 0.983 nan 8.240 nan 0.000 0.483 679 G N 2.056 110.850 108.800 -0.011 0.000 2.451 679 G HA2 0.186 4.147 3.960 0.002 0.000 0.083 679 G HA3 0.186 4.147 3.960 0.002 0.000 0.083 679 G C -1.781 173.113 174.900 -0.010 0.000 1.107 679 G CA -0.558 44.537 45.100 -0.009 0.000 1.117 679 G HN 0.706 nan 8.290 nan 0.000 0.454 690 I N 2.836 123.265 120.570 -0.236 0.000 3.153 690 I HA -0.137 4.034 4.170 0.002 0.000 0.330 690 I C 0.261 176.175 176.117 -0.339 0.000 1.198 690 I CA 1.648 62.804 61.300 -0.240 0.000 1.475 690 I CB 0.178 38.090 38.000 -0.148 0.000 1.295 690 I HN 0.663 nan 8.210 nan 0.000 0.540 691 S N 7.255 122.809 115.700 -0.242 0.000 2.599 691 S HA 0.511 4.982 4.470 0.002 0.000 0.269 691 S C -0.688 173.851 174.600 -0.102 0.000 1.135 691 S CA -1.072 57.014 58.200 -0.191 0.000 1.027 691 S CB 1.361 64.424 63.200 -0.228 0.000 1.129 691 S HN 0.621 nan 8.310 nan 0.000 0.458 692 I N 0.745 121.263 120.570 -0.086 0.000 2.676 692 I HA 0.835 5.006 4.170 0.002 0.000 0.309 692 I C 1.053 177.091 176.117 -0.131 0.000 0.990 692 I CA 0.997 62.271 61.300 -0.043 0.000 1.168 692 I CB 0.448 38.456 38.000 0.013 0.000 1.343 692 I HN 1.371 nan 8.210 nan 0.000 0.482 693 G N 3.466 112.170 108.800 -0.161 0.000 2.200 693 G HA2 -0.139 3.822 3.960 0.002 0.000 0.267 693 G HA3 -0.139 3.822 3.960 0.002 0.000 0.267 693 G C 1.158 175.907 174.900 -0.252 0.000 0.993 693 G CA 1.200 46.018 45.100 -0.471 0.000 0.701 693 G HN 2.224 nan 8.290 nan 0.000 0.524 694 G N -0.668 108.062 108.800 -0.116 0.000 3.400 694 G HA2 -0.218 3.743 3.960 0.002 0.000 0.209 694 G HA3 -0.218 3.743 3.960 0.002 0.000 0.209 694 G C 0.445 175.301 174.900 -0.073 0.000 1.411 694 G CA 0.558 45.617 45.100 -0.067 0.000 0.917 694 G HN 1.225 nan 8.290 nan 0.000 0.570 695 K N 3.693 124.028 120.400 -0.107 0.000 2.382 695 K HA 0.389 4.710 4.320 0.002 0.000 0.286 695 K C 0.905 177.455 176.600 -0.083 0.000 1.062 695 K CA 0.625 56.861 56.287 -0.084 0.000 1.000 695 K CB 0.033 32.474 32.500 -0.097 0.000 0.954 695 K HN 0.941 nan 8.250 nan 0.000 0.470 696 T N 0.071 114.588 114.554 -0.061 0.000 2.933 696 T HA 0.017 4.368 4.350 0.002 0.000 0.306 696 T C 1.182 175.836 174.700 -0.078 0.000 1.045 696 T CA -0.686 61.361 62.100 -0.089 0.000 1.143 696 T CB -0.112 68.719 68.868 -0.061 0.000 1.003 696 T HN 0.714 nan 8.240 nan 0.000 0.540 697 c N 2.766 121.306 118.600 -0.100 0.000 2.590 697 c HA 0.902 5.473 4.570 0.002 0.000 0.354 697 c C 0.816 174.876 174.090 -0.051 0.000 1.622 697 c CA -0.237 56.053 56.329 -0.066 0.000 2.050 697 c CB 0.448 42.906 42.510 -0.087 0.000 1.960 697 c HN 1.212 nan 8.230 nan 0.000 0.550 698 T N -0.017 114.531 114.554 -0.010 0.000 2.863 698 T HA 0.544 4.895 4.350 0.002 0.000 0.285 698 T C -0.781 173.901 174.700 -0.031 0.000 1.009 698 T CA -0.665 61.444 62.100 0.016 0.000 0.989 698 T CB 1.251 70.180 68.868 0.103 0.000 1.004 698 T HN 0.882 nan 8.240 nan 0.000 0.455 699 L N 3.177 124.381 121.223 -0.033 0.000 2.276 699 L HA 0.453 4.794 4.340 0.002 0.000 0.286 699 L C 0.896 177.725 176.870 -0.067 0.000 1.061 699 L CA -0.263 54.534 54.840 -0.072 0.000 0.807 699 L CB 1.475 43.507 42.059 -0.045 0.000 1.177 699 L HN 1.050 nan 8.230 nan 0.000 0.429 700 K N 2.840 123.148 120.400 -0.154 0.000 2.172 700 K HA 0.077 4.398 4.320 0.002 0.000 0.203 700 K C 0.204 176.758 176.600 -0.076 0.000 1.040 700 K CA 0.493 56.704 56.287 -0.127 0.000 0.974 700 K CB 0.396 32.706 32.500 -0.317 0.000 0.857 700 K HN 0.662 nan 8.250 nan 0.000 0.464 701 S N 1.066 116.708 115.700 -0.098 0.000 2.707 701 S HA 0.385 4.856 4.470 0.002 0.000 0.303 701 S C -0.744 173.822 174.600 -0.057 0.000 1.132 701 S CA -1.016 57.148 58.200 -0.061 0.000 1.046 701 S CB 1.718 64.885 63.200 -0.057 0.000 1.004 701 S HN 0.045 nan 8.310 nan 0.000 0.483 702 V N 2.517 122.409 119.914 -0.038 0.000 2.863 702 V HA 0.913 5.034 4.120 0.002 0.000 0.307 702 V C 0.131 176.210 176.094 -0.025 0.000 1.061 702 V CA 0.369 62.651 62.300 -0.031 0.000 1.024 702 V CB 1.737 33.549 31.823 -0.019 0.000 1.049 702 V HN 1.247 nan 8.190 nan 0.000 0.471 703 S N 1.982 117.669 115.700 -0.022 0.000 2.694 703 S HA 0.310 4.781 4.470 0.002 0.000 0.273 703 S C 0.026 174.617 174.600 -0.016 0.000 1.180 703 S CA 0.039 58.229 58.200 -0.017 0.000 0.864 703 S CB 1.029 64.217 63.200 -0.021 0.000 1.198 703 S HN 1.046 nan 8.310 nan 0.000 0.499 704 N N -0.278 118.413 118.700 -0.014 0.000 2.197 704 N HA 0.259 5.000 4.740 0.002 0.000 0.201 704 N C 0.873 176.374 175.510 -0.015 0.000 1.148 704 N CA 0.554 53.595 53.050 -0.015 0.000 0.883 704 N CB 0.773 39.251 38.487 -0.014 0.000 1.012 704 N HN 0.221 nan 8.380 nan 0.000 0.507 705 S N -0.619 115.072 115.700 -0.016 0.000 2.593 705 S HA 0.427 4.898 4.470 0.002 0.000 0.235 705 S C -0.070 174.519 174.600 -0.019 0.000 1.059 705 S CA -0.460 57.731 58.200 -0.015 0.000 0.953 705 S CB 0.341 63.533 63.200 -0.013 0.000 0.897 705 S HN 0.301 nan 8.310 nan 0.000 0.507 706 I N 1.579 122.135 120.570 -0.024 0.000 2.722 706 I HA 0.426 4.597 4.170 0.002 0.000 0.292 706 I C -2.061 174.031 176.117 -0.041 0.000 1.267 706 I CA -0.815 60.466 61.300 -0.031 0.000 1.036 706 I CB 1.959 39.941 38.000 -0.031 0.000 1.281 706 I HN 0.085 nan 8.210 nan 0.000 0.423 707 L N 6.603 127.795 121.223 -0.052 0.000 2.362 707 L HA 0.553 4.894 4.340 0.002 0.000 0.275 707 L C -0.769 176.040 176.870 -0.101 0.000 0.998 707 L CA -0.623 54.176 54.840 -0.069 0.000 0.820 707 L CB 2.032 44.053 42.059 -0.063 0.000 1.270 707 L HN 0.517 nan 8.230 nan 0.000 0.415 708 E N 2.020 122.140 120.200 -0.133 0.000 2.171 708 E HA 0.468 4.819 4.350 0.002 0.000 0.271 708 E C -1.400 175.028 176.600 -0.287 0.000 0.916 708 E CA -0.446 55.830 56.400 -0.206 0.000 0.774 708 E CB 2.624 32.195 29.700 -0.216 0.000 1.128 708 E HN 0.508 nan 8.360 nan 0.000 0.403 709 c N 3.867 122.259 118.600 -0.347 0.000 2.888 709 c HA 0.521 5.092 4.570 0.002 0.000 0.308 709 c C -1.672 172.175 174.090 -0.406 0.000 1.213 709 c CA -0.633 55.489 56.329 -0.345 0.000 1.461 709 c CB 0.336 42.724 42.510 -0.204 0.000 1.934 709 c HN 0.717 nan 8.230 nan 0.000 0.474 710 Y N 2.615 122.862 120.300 -0.088 0.000 2.326 710 Y HA 0.438 4.989 4.550 0.001 0.000 0.337 710 Y C 1.181 177.015 175.900 -0.110 0.000 1.023 710 Y CA -0.083 57.963 58.100 -0.090 0.000 1.143 710 Y CB 1.391 39.815 38.460 -0.059 0.000 1.183 710 Y HN 0.758 nan 8.280 nan 0.000 0.485 711 T N 5.528 120.088 114.554 0.010 0.000 2.888 711 T HA 0.244 4.595 4.350 0.002 0.000 0.301 711 T C -2.565 172.146 174.700 0.019 0.000 1.001 711 T CA -1.541 60.516 62.100 -0.073 0.000 1.147 711 T CB 0.258 68.992 68.868 -0.223 0.000 0.931 711 T HN 0.286 nan 8.240 nan 0.000 0.541 712 P HA 0.241 nan 4.420 nan 0.000 0.267 712 P C -0.813 176.517 177.300 0.051 0.000 1.205 712 P CA -0.277 62.830 63.100 0.012 0.000 0.765 712 P CB 0.350 32.027 31.700 -0.038 0.000 0.828 713 A N 4.294 127.134 122.820 0.033 0.000 2.899 713 A HA 0.029 4.350 4.320 0.002 0.000 0.287 713 A C 0.472 178.047 177.584 -0.015 0.000 1.715 713 A CA 0.063 52.128 52.037 0.047 0.000 1.393 713 A CB -0.966 18.052 19.000 0.031 0.000 1.070 713 A HN 0.503 nan 8.150 nan 0.000 0.587 714 Q N 0.164 119.917 119.800 -0.080 0.000 2.306 714 Q HA 0.217 4.558 4.340 0.002 0.000 0.241 714 Q C 0.575 176.491 176.000 -0.140 0.000 0.948 714 Q CA -0.086 55.597 55.803 -0.200 0.000 0.886 714 Q CB 1.085 29.546 28.738 -0.462 0.000 1.227 714 Q HN 0.548 nan 8.270 nan 0.000 0.457 715 T N 3.023 117.514 114.554 -0.104 0.000 3.607 715 T HA 0.279 4.630 4.350 0.002 0.000 0.225 715 T C -0.217 174.467 174.700 -0.027 0.000 0.904 715 T CA -0.184 61.890 62.100 -0.044 0.000 0.962 715 T CB -0.573 68.280 68.868 -0.026 0.000 1.221 715 T HN 0.295 nan 8.240 nan 0.000 0.641 716 I N 0.543 121.087 120.570 -0.043 0.000 3.322 716 I HA 0.469 4.640 4.170 0.002 0.000 0.313 716 I C 0.783 176.943 176.117 0.072 0.000 1.129 716 I CA -1.107 60.215 61.300 0.035 0.000 0.963 716 I CB 1.517 39.608 38.000 0.152 0.000 1.273 716 I HN 0.290 nan 8.210 nan 0.000 0.473 717 S N -1.371 114.393 115.700 0.106 0.000 2.960 717 S HA 0.178 4.649 4.470 0.002 0.000 0.256 717 S C 0.238 174.908 174.600 0.117 0.000 1.017 717 S CA -0.329 57.948 58.200 0.128 0.000 1.144 717 S CB 0.317 63.565 63.200 0.080 0.000 1.109 717 S HN 0.727 nan 8.310 nan 0.000 0.638 718 T N 1.766 116.371 114.554 0.084 0.000 2.889 718 T HA 0.530 4.881 4.350 0.002 0.000 0.278 718 T C -0.999 173.673 174.700 -0.047 0.000 0.995 718 T CA -0.463 61.606 62.100 -0.051 0.000 0.966 718 T CB 1.436 70.178 68.868 -0.210 0.000 1.237 718 T HN 0.407 nan 8.240 nan 0.000 0.591 719 E N -0.039 120.039 120.200 -0.203 0.000 2.250 719 E HA 0.584 4.935 4.350 0.002 0.000 0.269 719 E C -1.319 175.061 176.600 -0.368 0.000 1.018 719 E CA -0.433 55.935 56.400 -0.054 0.000 0.873 719 E CB 1.187 30.876 29.700 -0.019 0.000 1.134 719 E HN 0.369 nan 8.360 nan 0.000 0.403 720 F N 0.056 120.162 119.950 0.261 0.000 2.613 720 F HA 0.515 5.043 4.527 0.002 0.000 0.310 720 F C -0.266 175.636 175.800 0.169 0.000 1.085 720 F CA -1.098 57.022 58.000 0.199 0.000 0.945 720 F CB 1.591 40.729 39.000 0.229 0.000 1.298 720 F HN 0.461 nan 8.300 nan 0.000 0.455 721 A N 1.266 124.272 122.820 0.310 0.000 2.331 721 A HA 0.657 4.978 4.320 0.002 0.000 0.283 721 A C -0.875 176.812 177.584 0.172 0.000 1.142 721 A CA -0.540 51.614 52.037 0.194 0.000 0.812 721 A CB 0.353 19.433 19.000 0.132 0.000 1.074 721 A HN 0.533 nan 8.150 nan 0.000 0.497 722 V N 2.774 122.762 119.914 0.123 0.000 2.385 722 V HA 0.304 4.425 4.120 0.002 0.000 0.269 722 V C 0.309 176.426 176.094 0.039 0.000 1.043 722 V CA -0.307 62.034 62.300 0.068 0.000 0.906 722 V CB 0.594 32.444 31.823 0.045 0.000 0.995 722 V HN 0.869 nan 8.190 nan 0.000 0.467 723 K N 5.417 125.828 120.400 0.019 0.000 2.339 723 K HA 0.462 4.783 4.320 0.002 0.000 0.264 723 K C -0.864 175.732 176.600 -0.007 0.000 0.986 723 K CA -0.617 55.680 56.287 0.016 0.000 0.866 723 K CB 0.868 33.386 32.500 0.030 0.000 1.103 723 K HN 0.470 nan 8.250 nan 0.000 0.441 724 L N 3.802 125.030 121.223 0.008 0.000 2.380 724 L HA 0.234 4.575 4.340 0.002 0.000 0.273 724 L C 0.167 177.070 176.870 0.056 0.000 1.138 724 L CA 0.023 54.872 54.840 0.014 0.000 0.832 724 L CB 1.082 43.151 42.059 0.016 0.000 1.124 724 L HN 0.636 nan 8.230 nan 0.000 0.454 725 K N 3.766 124.232 120.400 0.111 0.000 3.163 725 K HA 0.320 4.641 4.320 0.002 0.000 0.186 725 K C -0.446 176.237 176.600 0.138 0.000 1.111 725 K CA -0.234 56.156 56.287 0.170 0.000 0.918 725 K CB -0.423 32.286 32.500 0.347 0.000 1.059 725 K HN 0.337 nan 8.250 nan 0.000 0.558 726 I N 2.517 123.137 120.570 0.084 0.000 2.280 726 I HA 0.080 4.250 4.170 0.002 0.000 0.287 726 I C 0.096 176.240 176.117 0.044 0.000 1.121 726 I CA 0.301 61.636 61.300 0.058 0.000 1.798 726 I CB -0.309 37.715 38.000 0.041 0.000 1.489 726 I HN 0.486 nan 8.210 nan 0.000 0.805 727 D N 0.613 121.035 120.400 0.036 0.000 2.382 727 D HA -0.253 4.388 4.640 0.002 0.000 0.163 727 D C 0.394 176.720 176.300 0.044 0.000 1.469 727 D CA 1.168 55.187 54.000 0.032 0.000 1.338 727 D CB -0.515 40.307 40.800 0.036 0.000 1.241 727 D HN 0.359 nan 8.370 nan 0.000 0.441 728 L N 0.758 122.012 121.223 0.052 0.000 2.377 728 L HA 0.617 4.958 4.340 0.002 0.000 0.270 728 L C -0.256 176.646 176.870 0.052 0.000 0.991 728 L CA -0.444 54.428 54.840 0.054 0.000 0.851 728 L CB 1.418 43.514 42.059 0.062 0.000 1.218 728 L HN 0.100 nan 8.230 nan 0.000 0.420 729 A N 4.059 126.910 122.820 0.052 0.000 2.512 729 A HA 0.124 4.445 4.320 0.002 0.000 0.278 729 A C 0.254 177.865 177.584 0.046 0.000 1.128 729 A CA 0.460 52.530 52.037 0.055 0.000 0.818 729 A CB -0.809 18.223 19.000 0.053 0.000 1.044 729 A HN 0.896 nan 8.150 nan 0.000 0.526 730 N N 0.778 119.505 118.700 0.044 0.000 2.752 730 N HA 0.393 5.134 4.740 0.002 0.000 0.316 730 N C 0.416 175.945 175.510 0.032 0.000 1.343 730 N CA -0.807 52.265 53.050 0.036 0.000 0.875 730 N CB 0.389 38.895 38.487 0.033 0.000 1.120 730 N HN 0.673 nan 8.380 nan 0.000 0.562 731 R N 0.617 121.133 120.500 0.027 0.000 2.538 731 R HA -0.089 4.252 4.340 0.002 0.000 0.273 731 R C -0.366 175.953 176.300 0.031 0.000 0.967 731 R CA 0.432 56.548 56.100 0.027 0.000 1.101 731 R CB 0.217 30.530 30.300 0.021 0.000 0.908 731 R HN 0.497 nan 8.270 nan 0.000 0.411 732 E N 4.012 124.234 120.200 0.036 0.000 2.464 732 E HA 0.036 4.387 4.350 0.002 0.000 0.260 732 E C -0.360 176.268 176.600 0.048 0.000 1.318 732 E CA -0.368 56.060 56.400 0.047 0.000 1.571 732 E CB 0.464 30.197 29.700 0.055 0.000 1.525 732 E HN 0.518 nan 8.360 nan 0.000 0.449 733 T N 0.878 115.455 114.554 0.040 0.000 2.663 733 T HA -0.017 4.334 4.350 0.002 0.000 0.325 733 T C 0.142 174.873 174.700 0.051 0.000 1.059 733 T CA 0.083 62.205 62.100 0.037 0.000 1.039 733 T CB 0.231 69.115 68.868 0.028 0.000 0.996 733 T HN 0.456 nan 8.240 nan 0.000 0.539 734 S N 1.428 117.155 115.700 0.045 0.000 4.273 734 S HA -0.124 4.347 4.470 0.002 0.000 0.512 734 S C 0.104 174.754 174.600 0.083 0.000 1.063 734 S CA -0.141 58.090 58.200 0.052 0.000 0.904 734 S CB -0.621 62.604 63.200 0.043 0.000 0.778 734 S HN 0.471 nan 8.310 nan 0.000 0.467 735 I N 4.126 124.746 120.570 0.083 0.000 2.529 735 I HA 0.256 4.427 4.170 0.002 0.000 0.284 735 I C 0.270 176.478 176.117 0.151 0.000 1.082 735 I CA -0.091 61.285 61.300 0.126 0.000 1.406 735 I CB 0.078 38.134 38.000 0.093 0.000 1.405 735 I HN 0.557 nan 8.210 nan 0.000 0.548 736 F N 5.904 125.893 119.950 0.065 0.000 2.375 736 F HA 0.472 5.000 4.527 0.001 0.000 0.333 736 F C 0.370 176.204 175.800 0.057 0.000 1.104 736 F CA -0.242 57.770 58.000 0.020 0.000 1.149 736 F CB 0.883 39.859 39.000 -0.040 0.000 1.190 736 F HN 0.519 nan 8.300 nan 0.000 0.533 737 S N 4.566 119.872 115.700 -0.658 0.000 2.640 737 S HA 0.436 4.907 4.470 0.002 0.000 0.320 737 S C -1.358 173.060 174.600 -0.302 0.000 1.097 737 S CA -0.651 57.385 58.200 -0.274 0.000 1.092 737 S CB 0.072 63.158 63.200 -0.191 0.000 0.988 737 S HN 0.556 nan 8.310 nan 0.000 0.470 738 Y N 2.452 122.828 120.300 0.126 0.000 2.436 738 Y HA 0.501 5.052 4.550 0.002 0.000 0.336 738 Y C 0.949 176.905 175.900 0.093 0.000 1.049 738 Y CA -0.212 58.009 58.100 0.202 0.000 1.294 738 Y CB 0.697 39.339 38.460 0.304 0.000 1.179 738 Y HN 0.661 nan 8.280 nan 0.000 0.520 739 R N 2.674 123.287 120.500 0.187 0.000 2.584 739 R HA 0.190 4.531 4.340 0.002 0.000 0.276 739 R C -1.286 175.072 176.300 0.098 0.000 1.046 739 R CA -0.784 55.379 56.100 0.106 0.000 0.906 739 R CB 1.511 31.825 30.300 0.023 0.000 1.215 739 R HN 0.794 nan 8.270 nan 0.000 0.449 740 E N 2.769 123.016 120.200 0.078 0.000 2.344 740 E HA 0.041 4.392 4.350 0.002 0.000 0.270 740 E C -0.791 175.829 176.600 0.034 0.000 1.021 740 E CA -0.260 56.178 56.400 0.063 0.000 0.887 740 E CB 0.752 30.484 29.700 0.053 0.000 0.997 740 E HN 0.393 nan 8.360 nan 0.000 0.429 741 D N 0.000 120.421 120.400 0.035 0.000 6.856 741 D HA 0.000 4.641 4.640 0.002 0.000 0.175 741 D CA 0.000 54.008 54.000 0.013 0.000 0.868 741 D CB 0.000 40.815 40.800 0.026 0.000 0.688 741 D HN 0.000 nan 8.370 nan 0.000 0.683