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 2xmd_1_A DATA FIRST_RESID 3 DATA SEQUENCE DIIIATKNGK VRGMQLTVFG GTVTAFLGIP YAQPPLGRLR FKKPQSLTKW DATA SEQUENCE SDIWNATKYA NScCQNIDQS FPGFHGSEMW NPNTDLSEDc LYLNVWIPAP DATA SEQUENCE KPKNATVLIW IYGGHFQTGT SSLHVYDGKF LARVERVIVV SMNYRVGALG DATA SEQUENCE FLALPGNPEA PGNMGLFDQQ LALQWVQKNI AAFGGNPKSV TLFGESAGAA DATA SEQUENCE SVSLHLLSPG SHSLFTRAIL QSGSFNAPWA VTSLYEARNR TLNLAKLTGc DATA SEQUENCE SRENETEIIK cLRNKDPQEI LLNEAFVVPY GTPLSVNFGP TVDGDFLTDM DATA SEQUENCE PDILLELGQF KKTQILVGVN KDEGTAFLVY GAPGFSKDNN SIITRKEFQE DATA SEQUENCE GLKIFFPGVS EFGKESILFH YTDWVDDQRP ENYREALGDV VGDYNFIcPA DATA SEQUENCE LEFTKKFSEW GNNAFFYYFE HRSSKLPWPE WMGVMHGYEI EFVFGLPLER DATA SEQUENCE RDQYTKAEEI LSRSIVKRWA NFAKYGNPQE TQNQSTSWPV FKSTEQKYLT DATA SEQUENCE LNTESTRIMT KLRAQQcRFW TSFFPKV 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.318 176.300 0.029 0.000 2.045 3 D CA 0.000 54.007 54.000 0.012 0.000 0.868 3 D CB 0.000 40.810 40.800 0.016 0.000 0.688 4 I N 3.616 124.206 120.570 0.033 0.000 2.420 4 I HA 0.543 4.711 4.170 -0.003 0.000 0.282 4 I C -0.244 175.964 176.117 0.151 0.000 1.019 4 I CA -0.482 60.863 61.300 0.074 0.000 1.130 4 I CB 1.340 39.370 38.000 0.050 0.000 1.262 4 I HN 0.288 nan 8.210 nan 0.000 0.454 5 I N 6.247 126.911 120.570 0.157 0.000 2.498 5 I HA 0.509 4.677 4.170 -0.003 0.000 0.290 5 I C -0.784 175.396 176.117 0.104 0.000 1.032 5 I CA -0.540 60.870 61.300 0.182 0.000 1.073 5 I CB 1.938 40.012 38.000 0.124 0.000 1.251 5 I HN 0.318 nan 8.210 nan 0.000 0.426 6 I N 4.734 125.342 120.570 0.063 0.000 2.474 6 I HA 0.495 4.662 4.170 -0.003 0.000 0.294 6 I C 0.272 176.290 176.117 -0.165 0.000 1.005 6 I CA -0.729 60.441 61.300 -0.217 0.000 1.113 6 I CB 1.920 39.457 38.000 -0.772 0.000 1.289 6 I HN 0.554 nan 8.210 nan 0.000 0.436 7 A N 4.845 127.552 122.820 -0.188 0.000 2.302 7 A HA 0.569 4.887 4.320 -0.003 0.000 0.295 7 A C 0.509 177.983 177.584 -0.183 0.000 1.235 7 A CA -0.239 51.712 52.037 -0.143 0.000 0.876 7 A CB 0.018 18.947 19.000 -0.119 0.000 1.133 7 A HN 0.826 nan 8.150 nan 0.000 0.533 8 T N 0.043 114.517 114.554 -0.133 0.000 2.910 8 T HA 0.391 4.739 4.350 -0.003 0.000 0.279 8 T C 0.934 175.528 174.700 -0.178 0.000 0.989 8 T CA -0.686 61.344 62.100 -0.116 0.000 0.968 8 T CB 0.806 69.719 68.868 0.076 0.000 1.135 8 T HN 0.446 nan 8.240 nan 0.000 0.562 9 K N 0.617 120.912 120.400 -0.174 0.000 2.147 9 K HA -0.052 4.266 4.320 -0.003 0.000 0.205 9 K C 1.783 178.263 176.600 -0.200 0.000 1.049 9 K CA 1.409 57.598 56.287 -0.164 0.000 0.936 9 K CB -0.464 31.955 32.500 -0.136 0.000 0.722 9 K HN 0.632 nan 8.250 nan 0.000 0.446 10 N N -0.286 118.259 118.700 -0.257 0.000 2.405 10 N HA 0.019 4.757 4.740 -0.003 0.000 0.175 10 N C 0.626 175.496 175.510 -1.067 0.000 1.051 10 N CA 0.244 53.028 53.050 -0.443 0.000 0.899 10 N CB 0.756 39.125 38.487 -0.195 0.000 1.000 10 N HN 0.176 nan 8.380 nan 0.000 0.451 11 G N 0.306 108.484 108.800 -1.036 0.000 2.341 11 G HA2 0.034 3.992 3.960 -0.003 0.000 0.293 11 G HA3 0.034 3.992 3.960 -0.003 0.000 0.293 11 G C -1.745 172.884 174.900 -0.451 0.000 1.298 11 G CA -0.960 43.534 45.100 -1.010 0.000 0.868 11 G HN -0.075 nan 8.290 nan 0.000 0.540 12 K N -0.273 120.059 120.400 -0.113 0.000 2.401 12 K HA 0.468 4.786 4.320 -0.003 0.000 0.278 12 K C 0.363 177.274 176.600 0.519 0.000 1.018 12 K CA -0.142 56.251 56.287 0.176 0.000 0.981 12 K CB 1.543 34.141 32.500 0.163 0.000 0.933 12 K HN 1.016 nan 8.250 nan 0.000 0.477 13 V N 0.262 120.454 119.914 0.463 0.000 2.823 13 V HA 0.564 4.682 4.120 -0.003 0.000 0.312 13 V C -0.756 175.666 176.094 0.545 0.000 1.072 13 V CA -1.123 61.545 62.300 0.614 0.000 0.937 13 V CB 1.838 34.057 31.823 0.660 0.000 1.013 13 V HN 0.849 nan 8.190 nan 0.000 0.430 14 R N 2.503 123.299 120.500 0.492 0.000 2.445 14 R HA 0.760 5.098 4.340 -0.003 0.000 0.308 14 R C 0.164 176.587 176.300 0.204 0.000 0.961 14 R CA 0.160 56.459 56.100 0.332 0.000 0.862 14 R CB 1.651 32.052 30.300 0.168 0.000 1.144 14 R HN 1.152 nan 8.270 nan 0.000 0.447 15 G N 3.138 111.823 108.800 -0.192 0.000 2.702 15 G HA2 0.530 4.488 3.960 -0.003 0.000 0.254 15 G HA3 0.530 4.488 3.960 -0.003 0.000 0.254 15 G C -0.496 174.155 174.900 -0.416 0.000 1.380 15 G CA -0.864 43.760 45.100 -0.793 0.000 1.042 15 G HN 0.655 nan 8.290 nan 0.000 0.557 16 M N -1.126 118.218 119.600 -0.427 0.000 2.550 16 M HA 0.536 5.014 4.480 -0.003 0.000 0.292 16 M C -1.318 174.867 176.300 -0.192 0.000 1.221 16 M CA -0.949 54.209 55.300 -0.237 0.000 0.873 16 M CB 2.399 34.883 32.600 -0.194 0.000 1.727 16 M HN 0.290 nan 8.290 nan 0.000 0.459 17 Q N 2.670 122.399 119.800 -0.118 0.000 2.259 17 Q HA 0.667 5.004 4.340 -0.003 0.000 0.249 17 Q C -1.242 174.717 176.000 -0.068 0.000 0.914 17 Q CA -0.383 55.373 55.803 -0.078 0.000 0.904 17 Q CB 2.359 31.068 28.738 -0.049 0.000 1.213 17 Q HN 0.731 nan 8.270 nan 0.000 0.428 18 L N 1.087 122.278 121.223 -0.053 0.000 2.346 18 L HA 0.449 4.787 4.340 -0.003 0.000 0.274 18 L C -0.069 176.764 176.870 -0.062 0.000 1.007 18 L CA -0.784 54.019 54.840 -0.060 0.000 0.818 18 L CB 2.076 44.099 42.059 -0.061 0.000 1.284 18 L HN 0.483 nan 8.230 nan 0.000 0.424 19 T N 2.287 116.801 114.554 -0.067 0.000 2.743 19 T HA 0.495 4.843 4.350 -0.003 0.000 0.293 19 T C -0.278 174.351 174.700 -0.118 0.000 0.945 19 T CA -0.300 61.764 62.100 -0.059 0.000 1.030 19 T CB 1.024 69.876 68.868 -0.028 0.000 0.912 19 T HN 0.247 nan 8.240 nan 0.000 0.483 20 V N 4.652 124.483 119.914 -0.138 0.000 2.567 20 V HA 0.363 4.480 4.120 -0.003 0.000 0.298 20 V C -0.194 175.821 176.094 -0.132 0.000 1.047 20 V CA -1.137 60.975 62.300 -0.313 0.000 0.880 20 V CB 0.618 32.140 31.823 -0.502 0.000 1.009 20 V HN 1.076 nan 8.190 nan 0.000 0.429 21 F N 3.417 123.396 119.950 0.048 0.000 2.943 21 F HA -0.233 4.292 4.527 -0.003 0.000 0.258 21 F C 1.607 177.428 175.800 0.034 0.000 0.995 21 F CA 0.713 58.743 58.000 0.051 0.000 0.896 21 F CB -1.027 38.012 39.000 0.065 0.000 0.821 21 F HN 1.056 nan 8.300 nan 0.000 0.828 22 G N -0.392 108.515 108.800 0.178 0.000 2.153 22 G HA2 0.033 3.991 3.960 -0.003 0.000 0.252 22 G HA3 0.033 3.991 3.960 -0.003 0.000 0.252 22 G C 0.391 175.342 174.900 0.085 0.000 0.994 22 G CA 0.082 45.249 45.100 0.111 0.000 0.698 22 G HN 1.482 nan 8.290 nan 0.000 0.521 23 G N -2.323 106.521 108.800 0.074 0.000 2.911 23 G HA2 0.811 4.769 3.960 -0.003 0.000 0.299 23 G HA3 0.811 4.769 3.960 -0.003 0.000 0.299 23 G C -0.979 173.932 174.900 0.019 0.000 1.283 23 G CA 0.430 45.561 45.100 0.052 0.000 0.805 23 G HN 0.772 nan 8.290 nan 0.000 0.548 24 T N -0.208 114.357 114.554 0.018 0.000 2.886 24 T HA 0.587 4.935 4.350 -0.003 0.000 0.292 24 T C -1.022 173.687 174.700 0.015 0.000 1.012 24 T CA -0.255 61.848 62.100 0.005 0.000 0.982 24 T CB 1.895 70.772 68.868 0.015 0.000 1.018 24 T HN 0.426 nan 8.240 nan 0.000 0.451 25 V N 3.026 122.942 119.914 0.003 0.000 2.495 25 V HA 0.468 4.586 4.120 -0.003 0.000 0.298 25 V C 0.245 176.373 176.094 0.058 0.000 1.031 25 V CA -0.774 61.555 62.300 0.049 0.000 0.871 25 V CB 2.101 33.948 31.823 0.039 0.000 0.988 25 V HN 0.999 nan 8.190 nan 0.000 0.432 26 T N 4.428 119.039 114.554 0.095 0.000 2.780 26 T HA 0.620 4.968 4.350 -0.003 0.000 0.294 26 T C 0.111 174.832 174.700 0.036 0.000 0.949 26 T CA -0.129 61.993 62.100 0.036 0.000 1.074 26 T CB 1.178 70.102 68.868 0.093 0.000 0.910 26 T HN 0.917 nan 8.240 nan 0.000 0.501 27 A N 3.215 125.923 122.820 -0.188 0.000 2.331 27 A HA 0.784 5.102 4.320 -0.003 0.000 0.320 27 A C -1.009 176.264 177.584 -0.517 0.000 1.138 27 A CA -0.728 51.116 52.037 -0.321 0.000 0.790 27 A CB 0.531 19.332 19.000 -0.333 0.000 1.206 27 A HN 0.731 nan 8.150 nan 0.000 0.470 28 F N 2.508 122.307 119.950 -0.252 0.000 2.382 28 F HA 0.476 5.002 4.527 -0.003 0.000 0.361 28 F C -0.193 175.431 175.800 -0.293 0.000 1.109 28 F CA -0.369 57.549 58.000 -0.137 0.000 1.031 28 F CB 1.484 40.509 39.000 0.041 0.000 1.234 28 F HN 0.333 nan 8.300 nan 0.000 0.445 29 L N 2.679 123.811 121.223 -0.151 0.000 2.307 29 L HA 0.665 5.003 4.340 -0.003 0.000 0.284 29 L C 0.764 177.609 176.870 -0.041 0.000 1.023 29 L CA -0.903 53.780 54.840 -0.261 0.000 0.810 29 L CB 1.681 43.443 42.059 -0.495 0.000 1.231 29 L HN 0.868 nan 8.230 nan 0.000 0.423 30 G N 3.582 112.396 108.800 0.024 0.000 2.248 30 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.263 30 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.263 30 G C -0.206 174.848 174.900 0.257 0.000 1.082 30 G CA -0.411 44.761 45.100 0.120 0.000 0.863 30 G HN 0.494 nan 8.290 nan 0.000 0.495 31 I N 1.890 122.520 120.570 0.100 0.000 2.441 31 I HA 0.285 4.453 4.170 -0.003 0.000 0.287 31 I C -1.361 174.667 176.117 -0.148 0.000 1.049 31 I CA -2.282 58.954 61.300 -0.107 0.000 1.381 31 I CB 1.169 39.032 38.000 -0.229 0.000 1.409 31 I HN -0.008 nan 8.210 nan 0.000 0.523 32 P HA 0.049 nan 4.420 nan 0.000 0.278 32 P C -0.792 176.305 177.300 -0.339 0.000 1.238 32 P CA 0.150 62.941 63.100 -0.516 0.000 0.794 32 P CB 0.565 31.811 31.700 -0.756 0.000 0.955 33 Y N 0.531 120.586 120.300 -0.409 0.000 2.563 33 Y HA 0.743 5.291 4.550 -0.004 0.000 0.250 33 Y C -0.243 175.600 175.900 -0.096 0.000 1.126 33 Y CA -0.588 57.373 58.100 -0.233 0.000 1.231 33 Y CB 0.232 38.504 38.460 -0.312 0.000 1.288 33 Y HN 0.481 nan 8.280 nan 0.000 0.537 34 A N 0.648 123.175 122.820 -0.489 0.000 2.609 34 A HA 0.462 4.780 4.320 -0.003 0.000 0.291 34 A C -1.193 176.218 177.584 -0.288 0.000 1.096 34 A CA -1.092 50.757 52.037 -0.314 0.000 0.684 34 A CB 1.065 19.831 19.000 -0.390 0.000 1.282 34 A HN 0.270 nan 8.150 nan 0.000 0.412 35 Q N 0.833 120.536 119.800 -0.161 0.000 2.283 35 Q HA 0.160 4.498 4.340 -0.003 0.000 0.301 35 Q C -2.151 173.740 176.000 -0.181 0.000 1.063 35 Q CA -0.940 54.782 55.803 -0.135 0.000 0.952 35 Q CB -0.124 28.569 28.738 -0.074 0.000 1.166 35 Q HN 0.334 nan 8.270 nan 0.000 0.381 36 P HA -0.051 nan 4.420 nan 0.000 0.261 36 P C -2.325 174.909 177.300 -0.109 0.000 1.183 36 P CA -0.591 62.426 63.100 -0.138 0.000 0.761 36 P CB 0.057 31.719 31.700 -0.063 0.000 0.785 37 P HA 0.146 nan 4.420 nan 0.000 0.219 37 P C -0.774 176.458 177.300 -0.114 0.000 1.832 37 P CA 0.285 63.318 63.100 -0.112 0.000 1.014 37 P CB 0.076 31.702 31.700 -0.123 0.000 1.939 38 L N -0.101 121.069 121.223 -0.088 0.000 2.322 38 L HA 0.735 5.073 4.340 -0.003 0.000 0.269 38 L C 1.446 178.275 176.870 -0.068 0.000 1.012 38 L CA -0.613 54.178 54.840 -0.082 0.000 0.815 38 L CB 1.114 43.141 42.059 -0.053 0.000 1.295 38 L HN 0.332 nan 8.230 nan 0.000 0.438 39 G N 1.680 110.441 108.800 -0.064 0.000 2.565 39 G HA2 -0.343 3.615 3.960 -0.003 0.000 0.295 39 G HA3 -0.343 3.615 3.960 -0.003 0.000 0.295 39 G C 0.980 175.860 174.900 -0.032 0.000 1.165 39 G CA 0.533 45.610 45.100 -0.038 0.000 0.977 39 G HN 0.904 nan 8.290 nan 0.000 0.546 40 R N 1.441 121.932 120.500 -0.015 0.000 2.249 40 R HA 0.061 4.399 4.340 -0.003 0.000 0.230 40 R C 2.421 178.717 176.300 -0.007 0.000 1.121 40 R CA 2.049 58.148 56.100 -0.001 0.000 0.997 40 R CB -0.478 29.823 30.300 0.002 0.000 0.867 40 R HN 0.611 nan 8.270 nan 0.000 0.465 41 L N 0.629 121.832 121.223 -0.033 0.000 2.477 41 L HA 0.191 4.529 4.340 -0.003 0.000 0.220 41 L C 1.484 178.308 176.870 -0.076 0.000 1.106 41 L CA -0.225 54.589 54.840 -0.045 0.000 0.851 41 L CB -0.176 41.850 42.059 -0.055 0.000 0.994 41 L HN 0.088 nan 8.230 nan 0.000 0.462 42 R N 0.767 121.187 120.500 -0.132 0.000 2.537 42 R HA -0.133 4.205 4.340 -0.003 0.000 0.281 42 R C -0.008 176.170 176.300 -0.204 0.000 0.988 42 R CA 0.447 56.360 56.100 -0.312 0.000 1.077 42 R CB 0.086 30.103 30.300 -0.473 0.000 0.932 42 R HN 0.140 nan 8.270 nan 0.000 0.409 43 F N -0.010 119.913 119.950 -0.044 0.000 2.656 43 F HA -0.304 4.221 4.527 -0.004 0.000 0.381 43 F C 0.192 175.964 175.800 -0.046 0.000 0.603 43 F CA 1.102 59.074 58.000 -0.046 0.000 1.335 43 F CB -1.410 37.568 39.000 -0.036 0.000 1.836 43 F HN 0.582 nan 8.300 nan 0.000 0.290 44 K N 1.247 121.698 120.400 0.085 0.000 2.090 44 K HA 0.424 4.742 4.320 -0.003 0.000 0.250 44 K C 0.466 177.056 176.600 -0.017 0.000 1.004 44 K CA -0.927 55.375 56.287 0.025 0.000 0.919 44 K CB 0.725 33.223 32.500 -0.002 0.000 1.045 44 K HN 0.000 nan 8.250 nan 0.000 0.471 45 K N 2.513 122.876 120.400 -0.062 0.000 2.518 45 K HA 0.001 4.319 4.320 -0.003 0.000 0.276 45 K C -2.184 174.376 176.600 -0.066 0.000 0.974 45 K CA -0.999 55.224 56.287 -0.107 0.000 0.986 45 K CB -0.095 32.233 32.500 -0.287 0.000 0.901 45 K HN 0.369 nan 8.250 nan 0.000 0.497 46 P HA -0.061 nan 4.420 nan 0.000 0.268 46 P C -0.942 176.341 177.300 -0.027 0.000 1.204 46 P CA 0.267 63.351 63.100 -0.026 0.000 0.768 46 P CB 0.732 32.452 31.700 0.032 0.000 0.842 47 Q N 1.082 120.857 119.800 -0.042 0.000 2.248 47 Q HA 0.364 4.702 4.340 -0.003 0.000 0.263 47 Q C 0.470 176.463 176.000 -0.012 0.000 1.007 47 Q CA -0.671 55.117 55.803 -0.026 0.000 0.877 47 Q CB 1.459 30.178 28.738 -0.031 0.000 1.315 47 Q HN 0.552 nan 8.270 nan 0.000 0.454 48 S N 0.434 116.141 115.700 0.012 0.000 2.603 48 S HA 0.363 4.831 4.470 -0.003 0.000 0.268 48 S C 0.018 174.638 174.600 0.033 0.000 1.317 48 S CA -0.764 57.459 58.200 0.039 0.000 1.012 48 S CB 0.568 63.799 63.200 0.052 0.000 0.926 48 S HN 0.444 nan 8.310 nan 0.000 0.539 49 L N 2.627 123.887 121.223 0.060 0.000 2.371 49 L HA 0.332 4.670 4.340 -0.003 0.000 0.272 49 L C 1.577 178.505 176.870 0.098 0.000 1.124 49 L CA 0.486 55.370 54.840 0.072 0.000 0.816 49 L CB 0.665 42.791 42.059 0.111 0.000 1.129 49 L HN 1.067 nan 8.230 nan 0.000 0.448 50 T N 1.642 116.258 114.554 0.105 0.000 2.746 50 T HA -0.050 4.298 4.350 -0.003 0.000 0.267 50 T C 0.250 175.019 174.700 0.114 0.000 1.039 50 T CA 0.876 63.035 62.100 0.099 0.000 1.142 50 T CB -0.388 68.539 68.868 0.099 0.000 0.866 50 T HN 0.734 nan 8.240 nan 0.000 0.444 51 K N -0.334 120.183 120.400 0.195 0.000 6.160 51 K HA -0.065 4.253 4.320 -0.003 0.000 0.903 51 K C -1.705 175.053 176.600 0.264 0.000 1.966 51 K CA -0.405 55.962 56.287 0.134 0.000 1.475 51 K CB -1.341 31.156 32.500 -0.006 0.000 2.981 51 K HN 0.635 nan 8.250 nan 0.000 0.258 52 W N 2.404 123.750 121.300 0.076 0.000 2.915 52 W HA 0.694 5.353 4.660 -0.001 0.000 0.337 52 W C -0.572 176.002 176.519 0.091 0.000 1.102 52 W CA -0.242 57.162 57.345 0.098 0.000 1.224 52 W CB 1.103 30.655 29.460 0.154 0.000 1.416 52 W HN 0.760 nan 8.180 nan 0.000 0.503 53 S N 1.802 117.615 115.700 0.188 0.000 2.669 53 S HA 0.701 5.169 4.470 -0.003 0.000 0.270 53 S C -0.262 174.537 174.600 0.332 0.000 1.225 53 S CA 0.116 58.398 58.200 0.136 0.000 0.991 53 S CB 1.107 64.370 63.200 0.105 0.000 0.987 53 S HN 1.232 nan 8.310 nan 0.000 0.552 54 D N -1.222 119.331 120.400 0.256 0.000 10.655 54 D HA -0.214 4.424 4.640 -0.003 0.000 0.358 54 D C -1.130 175.437 176.300 0.445 0.000 3.091 54 D CA 0.044 54.221 54.000 0.295 0.000 2.547 54 D CB -1.427 39.518 40.800 0.243 0.000 1.197 54 D HN 0.653 nan 8.370 nan 0.000 0.966 55 I N -0.390 120.378 120.570 0.330 0.000 2.321 55 I HA 0.274 4.442 4.170 -0.003 0.000 0.291 55 I C 0.079 176.402 176.117 0.343 0.000 0.998 55 I CA -0.809 60.712 61.300 0.369 0.000 1.227 55 I CB 1.110 39.243 38.000 0.222 0.000 1.368 55 I HN 0.355 nan 8.210 nan 0.000 0.466 56 W N 7.212 128.691 121.300 0.299 0.000 2.322 56 W HA 0.279 4.937 4.660 -0.003 0.000 0.307 56 W C -0.745 175.833 176.519 0.099 0.000 1.220 56 W CA -0.544 56.825 57.345 0.040 0.000 1.210 56 W CB 0.998 30.363 29.460 -0.159 0.000 1.223 56 W HN 0.443 nan 8.180 nan 0.000 0.511 57 N N 4.622 123.057 118.700 -0.441 0.000 2.439 57 N HA 0.273 5.011 4.740 -0.003 0.000 0.243 57 N C -0.239 175.244 175.510 -0.046 0.000 1.088 57 N CA 0.078 53.017 53.050 -0.184 0.000 0.940 57 N CB 1.345 39.671 38.487 -0.269 0.000 1.180 57 N HN 0.387 nan 8.380 nan 0.000 0.505 58 A N 1.786 124.761 122.820 0.258 0.000 3.079 58 A HA 0.302 4.620 4.320 -0.003 0.000 0.315 58 A C 0.840 178.442 177.584 0.030 0.000 1.334 58 A CA -0.538 51.664 52.037 0.275 0.000 1.048 58 A CB -0.526 18.744 19.000 0.450 0.000 1.156 58 A HN 0.541 nan 8.150 nan 0.000 0.523 59 T N -2.405 112.115 114.554 -0.058 0.000 3.091 59 T HA 0.357 4.705 4.350 -0.003 0.000 0.277 59 T C 0.038 174.642 174.700 -0.160 0.000 0.996 59 T CA -0.110 61.911 62.100 -0.131 0.000 0.897 59 T CB -0.519 68.280 68.868 -0.115 0.000 1.109 59 T HN 0.729 nan 8.240 nan 0.000 0.534 60 K N 0.154 120.460 120.400 -0.157 0.000 2.572 60 K HA 0.426 4.744 4.320 -0.003 0.000 0.263 60 K C -1.622 174.903 176.600 -0.125 0.000 0.932 60 K CA -0.978 55.214 56.287 -0.158 0.000 0.838 60 K CB 0.736 33.182 32.500 -0.090 0.000 1.366 60 K HN -0.093 nan 8.250 nan 0.000 0.425 61 Y N 1.418 121.687 120.300 -0.052 0.000 2.903 61 Y HA 0.067 4.614 4.550 -0.003 0.000 0.338 61 Y C 1.107 176.950 175.900 -0.095 0.000 1.265 61 Y CA 1.143 59.214 58.100 -0.048 0.000 1.532 61 Y CB 0.343 38.794 38.460 -0.016 0.000 1.293 61 Y HN 0.783 nan 8.280 nan 0.000 0.609 62 A N 2.853 125.702 122.820 0.048 0.000 2.247 62 A HA 0.416 4.734 4.320 -0.003 0.000 0.313 62 A C -0.088 177.433 177.584 -0.105 0.000 1.109 62 A CA -1.073 50.841 52.037 -0.206 0.000 0.890 62 A CB 0.219 18.825 19.000 -0.658 0.000 1.239 62 A HN 0.775 nan 8.150 nan 0.000 0.506 63 N N 1.072 119.684 118.700 -0.145 0.000 2.356 63 N HA 0.056 4.794 4.740 -0.003 0.000 0.252 63 N C -0.019 175.516 175.510 0.043 0.000 1.241 63 N CA 0.475 53.510 53.050 -0.025 0.000 0.861 63 N CB 0.155 38.651 38.487 0.015 0.000 1.075 63 N HN 0.494 nan 8.380 nan 0.000 0.461 64 S N 1.021 116.728 115.700 0.012 0.000 2.603 64 S HA 0.211 4.679 4.470 -0.003 0.000 0.268 64 S C 0.571 175.185 174.600 0.024 0.000 1.317 64 S CA -0.720 57.483 58.200 0.005 0.000 1.012 64 S CB 0.705 63.872 63.200 -0.056 0.000 0.926 64 S HN 0.503 nan 8.310 nan 0.000 0.539 65 c N 1.597 120.215 118.600 0.029 0.000 2.656 65 c HA 0.248 4.816 4.570 -0.003 0.000 0.391 65 c C 1.175 175.271 174.090 0.010 0.000 1.300 65 c CA -1.049 55.300 56.329 0.032 0.000 2.302 65 c CB -0.633 41.906 42.510 0.048 0.000 2.655 65 c HN 0.838 nan 8.230 nan 0.000 0.656 66 C N 3.208 122.511 119.300 0.006 0.000 2.611 66 C HA 0.384 4.842 4.460 -0.003 0.000 0.416 66 C C 0.306 175.303 174.990 0.011 0.000 1.366 66 C CA 0.278 59.296 59.018 -0.000 0.000 1.761 66 C CB -1.797 25.935 27.740 -0.014 0.000 2.619 66 C HN 0.962 nan 8.230 nan 0.000 0.606 67 Q N 2.331 122.135 119.800 0.008 0.000 2.666 67 Q HA 0.322 4.660 4.340 -0.003 0.000 0.276 67 Q C -1.630 174.374 176.000 0.007 0.000 0.952 67 Q CA -0.791 55.021 55.803 0.016 0.000 0.850 67 Q CB 0.759 29.507 28.738 0.016 0.000 1.512 67 Q HN 0.649 nan 8.270 nan 0.000 0.395 68 N N 0.899 119.602 118.700 0.005 0.000 2.503 68 N HA 0.387 5.125 4.740 -0.003 0.000 0.267 68 N C -0.830 174.679 175.510 -0.001 0.000 1.214 68 N CA 0.011 53.058 53.050 -0.005 0.000 0.959 68 N CB 0.620 39.093 38.487 -0.023 0.000 1.142 68 N HN 0.453 nan 8.380 nan 0.000 0.455 69 I N 0.672 121.245 120.570 0.005 0.000 2.460 69 I HA 0.029 4.197 4.170 -0.003 0.000 0.298 69 I C 0.321 176.460 176.117 0.036 0.000 0.989 69 I CA -0.711 60.602 61.300 0.022 0.000 1.173 69 I CB 1.080 39.094 38.000 0.023 0.000 1.338 69 I HN 0.342 nan 8.210 nan 0.000 0.456 70 D N 5.182 125.624 120.400 0.070 0.000 2.383 70 D HA -0.027 4.611 4.640 -0.003 0.000 0.275 70 D C 0.157 176.527 176.300 0.116 0.000 1.344 70 D CA 0.625 54.699 54.000 0.122 0.000 0.984 70 D CB 0.530 41.464 40.800 0.223 0.000 1.104 70 D HN 0.475 nan 8.370 nan 0.000 0.524 71 Q N 1.720 121.559 119.800 0.065 0.000 2.204 71 Q HA 0.124 4.462 4.340 -0.003 0.000 0.209 71 Q C 1.391 177.359 176.000 -0.053 0.000 0.861 71 Q CA -0.234 55.585 55.803 0.027 0.000 0.971 71 Q CB 0.592 29.335 28.738 0.010 0.000 1.095 71 Q HN 0.351 nan 8.270 nan 0.000 0.486 72 S N 0.180 115.807 115.700 -0.122 0.000 2.406 72 S HA -0.006 4.462 4.470 -0.003 0.000 0.228 72 S C 0.233 174.301 174.600 -0.887 0.000 1.020 72 S CA 0.822 58.678 58.200 -0.572 0.000 0.965 72 S CB 0.125 62.786 63.200 -0.899 0.000 0.798 72 S HN 0.311 nan 8.310 nan 0.000 0.488 73 F N 1.886 121.907 119.950 0.118 0.000 2.523 73 F HA 0.414 4.939 4.527 -0.003 0.000 0.322 73 F C -2.913 172.960 175.800 0.121 0.000 1.361 73 F CA -3.013 55.041 58.000 0.091 0.000 1.151 73 F CB 0.196 39.261 39.000 0.110 0.000 1.391 73 F HN -0.118 nan 8.300 nan 0.000 0.566 74 P HA 0.207 nan 4.420 nan 0.000 0.268 74 P C 1.046 178.433 177.300 0.145 0.000 1.204 74 P CA 0.831 64.010 63.100 0.131 0.000 0.768 74 P CB 1.070 32.811 31.700 0.068 0.000 0.842 75 G N 1.626 110.501 108.800 0.124 0.000 2.179 75 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.260 75 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.260 75 G C -0.204 174.790 174.900 0.156 0.000 0.977 75 G CA -0.255 44.907 45.100 0.104 0.000 0.641 75 G HN 0.546 nan 8.290 nan 0.000 0.533 76 F N 1.680 121.632 119.950 0.003 0.000 2.391 76 F HA 0.705 5.230 4.527 -0.003 0.000 0.359 76 F C 1.251 176.995 175.800 -0.092 0.000 1.122 76 F CA -1.119 56.835 58.000 -0.076 0.000 1.120 76 F CB 1.036 39.957 39.000 -0.131 0.000 1.142 76 F HN 0.126 nan 8.300 nan 0.000 0.483 77 H N 4.131 122.762 119.070 -0.731 0.000 2.387 77 H HA -0.048 4.506 4.556 -0.003 0.000 0.299 77 H C 2.157 176.961 175.328 -0.872 0.000 1.099 77 H CA 2.068 57.710 56.048 -0.677 0.000 1.315 77 H CB -0.238 29.216 29.762 -0.514 0.000 1.380 77 H HN 0.819 nan 8.280 nan 0.000 0.513 78 G N -1.136 106.526 108.800 -1.897 0.000 2.469 78 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.220 78 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.220 78 G C 1.825 176.665 174.900 -0.100 0.000 1.136 78 G CA 1.487 45.741 45.100 -1.409 0.000 0.759 78 G HN 0.595 nan 8.290 nan 0.000 0.562 79 S N -0.406 115.263 115.700 -0.051 0.000 2.502 79 S HA 0.151 4.619 4.470 -0.003 0.000 0.228 79 S C 1.818 176.587 174.600 0.282 0.000 1.061 79 S CA 0.616 59.146 58.200 0.549 0.000 0.935 79 S CB -0.025 63.636 63.200 0.769 0.000 0.809 79 S HN 0.449 nan 8.310 nan 0.000 0.510 80 E N 2.201 122.413 120.200 0.020 0.000 2.204 80 E HA -0.093 4.255 4.350 -0.003 0.000 0.194 80 E C 2.122 178.599 176.600 -0.205 0.000 0.989 80 E CA 1.290 57.667 56.400 -0.038 0.000 0.824 80 E CB -0.479 29.207 29.700 -0.023 0.000 0.756 80 E HN 0.794 nan 8.360 nan 0.000 0.477 81 M N -1.122 118.169 119.600 -0.515 0.000 2.260 81 M HA -0.152 4.326 4.480 -0.003 0.000 0.261 81 M C 1.194 177.064 176.300 -0.716 0.000 1.066 81 M CA 1.615 56.466 55.300 -0.748 0.000 1.082 81 M CB -0.638 31.247 32.600 -1.191 0.000 1.388 81 M HN 0.056 nan 8.290 nan 0.000 0.419 82 W N 1.417 122.624 121.300 -0.156 0.000 3.003 82 W HA 0.201 4.859 4.660 -0.004 0.000 0.257 82 W C 0.341 176.796 176.519 -0.106 0.000 1.308 82 W CA -0.768 56.502 57.345 -0.126 0.000 1.529 82 W CB -0.442 28.993 29.460 -0.042 0.000 1.115 82 W HN 0.155 nan 8.180 nan 0.000 0.659 83 N N 1.669 120.407 118.700 0.063 0.000 2.525 83 N HA 0.137 4.875 4.740 -0.003 0.000 0.271 83 N C -2.408 173.070 175.510 -0.053 0.000 1.194 83 N CA -1.555 51.509 53.050 0.023 0.000 0.964 83 N CB -0.251 38.254 38.487 0.029 0.000 1.126 83 N HN -0.296 nan 8.380 nan 0.000 0.452 84 P HA 0.056 nan 4.420 nan 0.000 0.266 84 P C 0.179 177.423 177.300 -0.092 0.000 1.195 84 P CA 0.016 63.061 63.100 -0.092 0.000 0.768 84 P CB 0.327 31.985 31.700 -0.070 0.000 0.838 85 N N 0.058 118.685 118.700 -0.122 0.000 2.291 85 N HA 0.072 4.810 4.740 -0.003 0.000 0.244 85 N C -0.737 174.720 175.510 -0.088 0.000 1.216 85 N CA -0.308 52.678 53.050 -0.107 0.000 0.879 85 N CB -0.071 38.334 38.487 -0.136 0.000 1.167 85 N HN 0.371 nan 8.380 nan 0.000 0.515 86 T N -3.373 111.134 114.554 -0.078 0.000 2.896 86 T HA 0.426 4.774 4.350 -0.003 0.000 0.297 86 T C -0.887 173.790 174.700 -0.039 0.000 1.108 86 T CA -0.742 61.331 62.100 -0.046 0.000 1.004 86 T CB 1.359 70.207 68.868 -0.034 0.000 1.159 86 T HN -0.098 nan 8.240 nan 0.000 0.499 87 D N 1.107 121.488 120.400 -0.031 0.000 2.548 87 D HA 0.202 4.840 4.640 -0.003 0.000 0.231 87 D C 0.060 176.348 176.300 -0.020 0.000 1.142 87 D CA 0.367 54.352 54.000 -0.025 0.000 0.866 87 D CB 0.265 41.050 40.800 -0.024 0.000 1.190 87 D HN 0.411 nan 8.370 nan 0.000 0.469 88 L N 1.700 122.914 121.223 -0.016 0.000 2.349 88 L HA 0.423 4.761 4.340 -0.003 0.000 0.275 88 L C 0.460 177.328 176.870 -0.002 0.000 1.115 88 L CA -0.107 54.728 54.840 -0.009 0.000 0.820 88 L CB 0.982 43.035 42.059 -0.010 0.000 1.135 88 L HN 0.371 nan 8.230 nan 0.000 0.445 89 S N 0.997 116.701 115.700 0.008 0.000 2.552 89 S HA 0.182 4.650 4.470 -0.003 0.000 0.272 89 S C 0.281 174.888 174.600 0.012 0.000 1.150 89 S CA -0.667 57.539 58.200 0.010 0.000 0.849 89 S CB 1.654 64.868 63.200 0.024 0.000 1.113 89 S HN 0.744 nan 8.310 nan 0.000 0.458 90 E N 0.845 121.039 120.200 -0.009 0.000 2.265 90 E HA -0.104 4.244 4.350 -0.003 0.000 0.196 90 E C -0.270 176.325 176.600 -0.007 0.000 0.996 90 E CA 0.781 57.164 56.400 -0.029 0.000 0.832 90 E CB 0.056 29.716 29.700 -0.067 0.000 0.756 90 E HN 0.544 nan 8.360 nan 0.000 0.491 91 D N 0.169 120.591 120.400 0.037 0.000 2.522 91 D HA 0.002 4.640 4.640 -0.003 0.000 0.218 91 D C -0.005 176.442 176.300 0.245 0.000 1.149 91 D CA -0.358 53.699 54.000 0.095 0.000 0.981 91 D CB -0.106 40.764 40.800 0.115 0.000 1.041 91 D HN 0.120 nan 8.370 nan 0.000 0.518 92 c N 2.170 120.874 118.600 0.173 0.000 3.512 92 c HA 0.409 4.977 4.570 -0.003 0.000 0.276 92 c C 0.633 174.849 174.090 0.211 0.000 1.592 92 c CA -0.726 55.778 56.329 0.291 0.000 1.803 92 c CB -1.366 41.234 42.510 0.150 0.000 2.996 92 c HN 0.420 nan 8.230 nan 0.000 0.590 93 L N 2.474 123.536 121.223 -0.269 0.000 2.387 93 L HA 0.413 4.751 4.340 -0.003 0.000 0.267 93 L C -0.915 175.411 176.870 -0.908 0.000 1.197 93 L CA 0.436 54.923 54.840 -0.589 0.000 1.070 93 L CB -0.624 40.973 42.059 -0.769 0.000 1.349 93 L HN 0.395 nan 8.230 nan 0.000 0.422 94 Y N 1.906 122.237 120.300 0.052 0.000 2.576 94 Y HA 0.666 5.214 4.550 -0.003 0.000 0.346 94 Y C -0.134 175.935 175.900 0.282 0.000 1.018 94 Y CA -1.214 56.971 58.100 0.141 0.000 1.050 94 Y CB 2.034 40.537 38.460 0.071 0.000 1.280 94 Y HN 0.185 nan 8.280 nan 0.000 0.474 95 L N -0.382 120.978 121.223 0.228 0.000 2.341 95 L HA 0.770 5.108 4.340 -0.003 0.000 0.254 95 L C -1.391 175.434 176.870 -0.075 0.000 1.040 95 L CA -1.235 53.615 54.840 0.016 0.000 0.837 95 L CB 1.691 43.589 42.059 -0.268 0.000 1.425 95 L HN 0.464 nan 8.230 nan 0.000 0.414 96 N N -0.019 118.627 118.700 -0.091 0.000 2.269 96 N HA 0.731 5.469 4.740 -0.003 0.000 0.304 96 N C -1.459 173.882 175.510 -0.281 0.000 1.072 96 N CA -0.408 52.490 53.050 -0.254 0.000 0.802 96 N CB 2.855 41.125 38.487 -0.361 0.000 1.348 96 N HN 0.513 nan 8.380 nan 0.000 0.484 97 V N 1.395 121.107 119.914 -0.336 0.000 2.588 97 V HA 0.478 4.595 4.120 -0.003 0.000 0.304 97 V C -0.831 175.216 176.094 -0.079 0.000 1.042 97 V CA -0.771 61.452 62.300 -0.128 0.000 0.877 97 V CB 2.317 34.011 31.823 -0.214 0.000 0.996 97 V HN 0.555 nan 8.190 nan 0.000 0.425 98 W N 5.860 127.256 121.300 0.160 0.000 2.600 98 W HA 0.705 5.363 4.660 -0.003 0.000 0.325 98 W C -0.473 176.142 176.519 0.160 0.000 1.034 98 W CA -0.564 56.872 57.345 0.151 0.000 1.226 98 W CB 2.098 31.618 29.460 0.099 0.000 1.379 98 W HN 0.610 nan 8.180 nan 0.000 0.466 99 I N 1.674 122.480 120.570 0.394 0.000 2.509 99 I HA 0.597 4.765 4.170 -0.003 0.000 0.293 99 I C -2.627 173.629 176.117 0.231 0.000 1.020 99 I CA -3.062 58.424 61.300 0.310 0.000 1.088 99 I CB 2.115 40.328 38.000 0.355 0.000 1.267 99 I HN -0.048 nan 8.210 nan 0.000 0.430 100 P HA 0.208 nan 4.420 nan 0.000 0.268 100 P C -0.967 176.407 177.300 0.125 0.000 1.208 100 P CA -0.118 63.059 63.100 0.129 0.000 0.777 100 P CB 0.758 32.522 31.700 0.108 0.000 0.875 101 A N 3.208 126.086 122.820 0.096 0.000 2.343 101 A HA 0.689 5.007 4.320 -0.003 0.000 0.316 101 A C -2.506 175.119 177.584 0.068 0.000 1.104 101 A CA -1.585 50.502 52.037 0.082 0.000 0.768 101 A CB 0.024 19.065 19.000 0.069 0.000 1.213 101 A HN 0.364 nan 8.150 nan 0.000 0.456 102 P HA 0.207 nan 4.420 nan 0.000 0.271 102 P C -0.293 177.054 177.300 0.079 0.000 1.218 102 P CA -0.432 62.707 63.100 0.065 0.000 0.780 102 P CB 0.441 32.173 31.700 0.053 0.000 0.901 103 K N 3.342 123.795 120.400 0.088 0.000 2.548 103 K HA -0.046 4.272 4.320 -0.003 0.000 0.277 103 K C -1.863 174.790 176.600 0.088 0.000 1.001 103 K CA -0.578 55.770 56.287 0.103 0.000 1.102 103 K CB -0.345 32.212 32.500 0.094 0.000 0.848 103 K HN 0.353 nan 8.250 nan 0.000 0.487 104 P HA 0.120 nan 4.420 nan 0.000 0.278 104 P C -0.408 176.934 177.300 0.070 0.000 1.266 104 P CA -0.396 62.752 63.100 0.081 0.000 0.807 104 P CB 0.894 32.647 31.700 0.088 0.000 1.094 105 K N -0.092 120.342 120.400 0.057 0.000 2.202 105 K HA 0.056 4.374 4.320 -0.003 0.000 0.201 105 K C 0.399 177.026 176.600 0.044 0.000 1.051 105 K CA 0.953 57.268 56.287 0.046 0.000 0.977 105 K CB -0.016 32.507 32.500 0.038 0.000 0.792 105 K HN 0.373 nan 8.250 nan 0.000 0.469 106 N N 0.020 118.747 118.700 0.046 0.000 2.725 106 N HA 0.135 4.873 4.740 -0.003 0.000 0.225 106 N C -1.712 173.821 175.510 0.038 0.000 1.465 106 N CA -0.030 53.044 53.050 0.040 0.000 0.830 106 N CB 0.657 39.163 38.487 0.031 0.000 1.460 106 N HN 0.063 nan 8.380 nan 0.000 0.538 107 A N 0.259 123.108 122.820 0.048 0.000 2.371 107 A HA 0.530 4.848 4.320 -0.003 0.000 0.257 107 A C 0.567 178.165 177.584 0.024 0.000 1.089 107 A CA 0.086 52.148 52.037 0.041 0.000 0.794 107 A CB 0.169 19.208 19.000 0.065 0.000 1.029 107 A HN 0.326 nan 8.150 nan 0.000 0.488 108 T N 1.279 115.827 114.554 -0.011 0.000 2.926 108 T HA 0.379 4.727 4.350 -0.003 0.000 0.307 108 T C 0.076 174.776 174.700 0.001 0.000 1.059 108 T CA 0.174 62.254 62.100 -0.034 0.000 1.122 108 T CB 0.360 69.163 68.868 -0.109 0.000 0.972 108 T HN 0.432 nan 8.240 nan 0.000 0.545 109 V N 4.608 124.533 119.914 0.017 0.000 2.459 109 V HA 0.442 4.560 4.120 -0.003 0.000 0.295 109 V C -0.106 176.018 176.094 0.050 0.000 1.029 109 V CA -0.792 61.544 62.300 0.059 0.000 0.874 109 V CB 1.571 33.448 31.823 0.089 0.000 0.985 109 V HN 0.672 nan 8.190 nan 0.000 0.438 110 L N 5.751 127.012 121.223 0.064 0.000 2.287 110 L HA 0.580 4.918 4.340 -0.003 0.000 0.287 110 L C -0.616 176.456 176.870 0.337 0.000 1.022 110 L CA -0.222 54.639 54.840 0.036 0.000 0.814 110 L CB 1.437 43.352 42.059 -0.240 0.000 1.217 110 L HN 0.507 nan 8.230 nan 0.000 0.420 111 I N 3.303 124.126 120.570 0.421 0.000 2.354 111 I HA 0.186 4.354 4.170 -0.003 0.000 0.286 111 I C -0.514 175.935 176.117 0.553 0.000 1.007 111 I CA -0.423 61.137 61.300 0.433 0.000 1.167 111 I CB 1.166 39.280 38.000 0.190 0.000 1.320 111 I HN 0.637 nan 8.210 nan 0.000 0.458 112 W N 8.464 129.914 121.300 0.250 0.000 2.315 112 W HA 0.527 5.185 4.660 -0.004 0.000 0.316 112 W C -1.362 175.075 176.519 -0.138 0.000 1.211 112 W CA -0.563 56.660 57.345 -0.204 0.000 1.201 112 W CB 1.143 30.487 29.460 -0.194 0.000 1.184 112 W HN 0.352 nan 8.180 nan 0.000 0.544 113 I N 8.913 128.911 120.570 -0.953 0.000 2.382 113 I HA 0.078 4.246 4.170 -0.003 0.000 0.285 113 I C -0.333 175.040 176.117 -1.241 0.000 1.007 113 I CA -1.122 59.661 61.300 -0.862 0.000 1.142 113 I CB 0.677 38.320 38.000 -0.594 0.000 1.289 113 I HN 0.289 nan 8.210 nan 0.000 0.453 114 Y N 4.403 124.311 120.300 -0.653 0.000 2.379 114 Y HA 0.688 5.236 4.550 -0.003 0.000 0.337 114 Y C 0.813 176.592 175.900 -0.202 0.000 1.238 114 Y CA -0.857 56.954 58.100 -0.482 0.000 1.405 114 Y CB -0.038 38.393 38.460 -0.048 0.000 1.310 114 Y HN 0.538 nan 8.280 nan 0.000 0.569 115 G N -0.611 108.217 108.800 0.047 0.000 2.525 115 G HA2 0.475 4.433 3.960 -0.003 0.000 0.287 115 G HA3 0.475 4.433 3.960 -0.003 0.000 0.287 115 G C 0.250 175.242 174.900 0.153 0.000 1.350 115 G CA -0.838 44.266 45.100 0.005 0.000 1.039 115 G HN 1.719 nan 8.290 nan 0.000 0.513 116 G N -2.366 106.426 108.800 -0.014 0.000 2.334 116 G HA2 0.173 4.131 3.960 -0.003 0.000 0.222 116 G HA3 0.173 4.131 3.960 -0.003 0.000 0.222 116 G C 0.175 175.165 174.900 0.150 0.000 1.077 116 G CA 0.454 45.609 45.100 0.093 0.000 0.861 116 G HN 1.297 nan 8.290 nan 0.000 0.508 117 H N -2.247 116.684 119.070 -0.231 0.000 2.971 117 H HA -0.265 4.289 4.556 -0.003 0.000 0.281 117 H C 1.527 176.878 175.328 0.038 0.000 1.131 117 H CA 1.568 57.509 56.048 -0.177 0.000 1.166 117 H CB -1.893 27.815 29.762 -0.091 0.000 1.311 117 H HN 1.233 nan 8.280 nan 0.000 0.349 118 F N -2.736 117.299 119.950 0.142 0.000 2.935 118 F HA -0.378 4.147 4.527 -0.004 0.000 0.317 118 F C 1.469 177.380 175.800 0.184 0.000 0.699 118 F CA 1.502 59.568 58.000 0.110 0.000 1.127 118 F CB -1.212 37.604 39.000 -0.308 0.000 1.491 118 F HN 0.395 nan 8.300 nan 0.000 0.337 119 Q N -0.862 119.113 119.800 0.292 0.000 2.280 119 Q HA 0.287 4.625 4.340 -0.003 0.000 0.244 119 Q C 1.185 177.276 176.000 0.152 0.000 0.847 119 Q CA 1.288 57.225 55.803 0.223 0.000 0.945 119 Q CB 0.965 29.784 28.738 0.135 0.000 1.115 119 Q HN 0.576 nan 8.270 nan 0.000 0.513 120 T N -2.983 111.657 114.554 0.142 0.000 2.778 120 T HA 0.784 5.132 4.350 -0.003 0.000 0.293 120 T C -0.000 174.741 174.700 0.068 0.000 1.144 120 T CA -0.360 61.787 62.100 0.077 0.000 1.010 120 T CB 2.369 71.266 68.868 0.048 0.000 1.325 120 T HN 0.334 nan 8.240 nan 0.000 0.515 121 G N -0.725 108.025 108.800 -0.083 0.000 2.484 121 G HA2 0.412 4.370 3.960 -0.003 0.000 0.685 121 G HA3 0.412 4.370 3.960 -0.003 0.000 0.685 121 G C -0.584 173.757 174.900 -0.931 0.000 1.294 121 G CA -0.119 44.755 45.100 -0.378 0.000 0.879 121 G HN 1.527 nan 8.290 nan 0.000 0.646 122 T N -1.326 112.578 114.554 -1.083 0.000 2.942 122 T HA 0.651 4.998 4.350 -0.003 0.000 0.327 122 T C 1.470 175.954 174.700 -0.361 0.000 1.360 122 T CA 0.942 62.548 62.100 -0.823 0.000 1.055 122 T CB 1.184 69.859 68.868 -0.323 0.000 1.261 122 T HN 2.044 nan 8.240 nan 0.000 0.485 123 S N 1.327 117.069 115.700 0.069 0.000 2.515 123 S HA -0.030 4.438 4.470 -0.003 0.000 0.231 123 S C 1.732 176.477 174.600 0.242 0.000 0.987 123 S CA 1.066 59.525 58.200 0.431 0.000 0.936 123 S CB -0.386 63.121 63.200 0.512 0.000 0.766 123 S HN 0.814 nan 8.310 nan 0.000 0.528 124 S N 1.112 116.733 115.700 -0.131 0.000 2.593 124 S HA 0.333 4.801 4.470 -0.003 0.000 0.217 124 S C 0.542 174.797 174.600 -0.576 0.000 0.966 124 S CA -0.592 57.162 58.200 -0.744 0.000 0.914 124 S CB -0.697 61.879 63.200 -1.040 0.000 0.776 124 S HN 0.475 nan 8.310 nan 0.000 0.523 125 L N 1.754 122.759 121.223 -0.364 0.000 2.483 125 L HA 0.140 4.478 4.340 -0.003 0.000 0.276 125 L C 2.041 178.658 176.870 -0.421 0.000 1.213 125 L CA -0.142 54.410 54.840 -0.480 0.000 0.843 125 L CB 0.091 41.672 42.059 -0.797 0.000 1.107 125 L HN 0.272 nan 8.230 nan 0.000 0.487 126 H N 2.337 121.165 119.070 -0.403 0.000 2.390 126 H HA -0.158 4.396 4.556 -0.003 0.000 0.298 126 H C 1.612 176.726 175.328 -0.356 0.000 1.106 126 H CA 2.186 58.068 56.048 -0.278 0.000 1.297 126 H CB 0.155 29.785 29.762 -0.220 0.000 1.375 126 H HN 0.468 nan 8.280 nan 0.000 0.509 127 V N -1.835 117.714 119.914 -0.607 0.000 3.380 127 V HA -0.042 4.076 4.120 -0.003 0.000 0.268 127 V C 0.567 176.126 176.094 -0.892 0.000 1.168 127 V CA 0.782 62.683 62.300 -0.665 0.000 1.156 127 V CB -0.923 30.539 31.823 -0.600 0.000 0.785 127 V HN 0.295 nan 8.190 nan 0.000 0.487 128 Y N 0.110 119.846 120.300 -0.941 0.000 2.658 128 Y HA 0.475 5.023 4.550 -0.003 0.000 0.276 128 Y C 0.681 175.963 175.900 -1.030 0.000 1.167 128 Y CA -1.998 55.183 58.100 -1.532 0.000 1.230 128 Y CB -0.542 37.441 38.460 -0.794 0.000 1.144 128 Y HN 0.248 nan 8.280 nan 0.000 0.529 129 D N 0.689 120.737 120.400 -0.587 0.000 2.352 129 D HA 0.118 4.756 4.640 -0.003 0.000 0.245 129 D C 1.402 177.309 176.300 -0.656 0.000 1.224 129 D CA 0.190 53.939 54.000 -0.419 0.000 0.879 129 D CB 1.326 41.986 40.800 -0.234 0.000 1.057 129 D HN 0.462 nan 8.370 nan 0.000 0.491 130 G N 3.855 111.715 108.800 -1.566 0.000 2.776 130 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.209 130 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.209 130 G C 1.392 175.664 174.900 -1.046 0.000 1.145 130 G CA 0.493 44.904 45.100 -1.149 0.000 0.791 130 G HN 0.611 nan 8.290 nan 0.000 0.530 131 K N -0.346 119.311 120.400 -1.240 0.000 2.147 131 K HA -0.027 4.291 4.320 -0.003 0.000 0.205 131 K C 1.714 177.968 176.600 -0.578 0.000 1.049 131 K CA 0.897 56.719 56.287 -0.776 0.000 0.936 131 K CB -0.435 31.691 32.500 -0.623 0.000 0.722 131 K HN 0.258 nan 8.250 nan 0.000 0.446 132 F N 1.843 121.628 119.950 -0.276 0.000 2.146 132 F HA 0.009 4.534 4.527 -0.003 0.000 0.298 132 F C 2.196 177.952 175.800 -0.074 0.000 1.096 132 F CA 0.748 58.650 58.000 -0.162 0.000 1.275 132 F CB -0.552 38.390 39.000 -0.096 0.000 1.008 132 F HN -0.140 nan 8.300 nan 0.000 0.480 133 L N -0.209 121.049 121.223 0.058 0.000 2.017 133 L HA -0.210 4.128 4.340 -0.003 0.000 0.208 133 L C 2.744 179.624 176.870 0.017 0.000 1.073 133 L CA 1.254 56.097 54.840 0.006 0.000 0.745 133 L CB -0.999 41.016 42.059 -0.073 0.000 0.894 133 L HN 0.161 nan 8.230 nan 0.000 0.432 134 A N 0.056 122.874 122.820 -0.003 0.000 1.883 134 A HA -0.275 4.043 4.320 -0.003 0.000 0.217 134 A C 2.341 179.957 177.584 0.053 0.000 1.186 134 A CA 2.078 54.144 52.037 0.049 0.000 0.624 134 A CB -0.519 18.540 19.000 0.098 0.000 0.822 134 A HN 0.311 nan 8.150 nan 0.000 0.444 135 R N -0.334 120.182 120.500 0.028 0.000 2.066 135 R HA -0.056 4.282 4.340 -0.003 0.000 0.232 135 R C 1.800 178.175 176.300 0.125 0.000 1.131 135 R CA 2.314 58.454 56.100 0.065 0.000 0.955 135 R CB -0.956 29.359 30.300 0.025 0.000 0.851 135 R HN 0.263 nan 8.270 nan 0.000 0.432 136 V N 0.444 120.450 119.914 0.152 0.000 2.446 136 V HA 0.001 4.119 4.120 -0.003 0.000 0.244 136 V C 1.512 177.662 176.094 0.093 0.000 1.039 136 V CA 1.609 64.002 62.300 0.155 0.000 1.045 136 V CB -0.235 31.699 31.823 0.185 0.000 0.681 136 V HN 0.282 nan 8.190 nan 0.000 0.459 137 E N -0.418 119.824 120.200 0.071 0.000 2.481 137 E HA 0.141 4.489 4.350 -0.003 0.000 0.198 137 E C 0.230 176.858 176.600 0.046 0.000 1.027 137 E CA -0.196 56.234 56.400 0.050 0.000 0.900 137 E CB 0.327 30.043 29.700 0.027 0.000 0.993 137 E HN 0.347 nan 8.360 nan 0.000 0.482 138 R N -0.024 120.510 120.500 0.058 0.000 3.516 138 R HA -0.141 4.197 4.340 -0.003 0.000 0.271 138 R C 0.497 176.828 176.300 0.051 0.000 1.098 138 R CA 0.755 56.892 56.100 0.062 0.000 0.732 138 R CB -3.174 27.164 30.300 0.063 0.000 1.152 138 R HN 0.154 nan 8.270 nan 0.000 0.455 139 V N -2.223 117.715 119.914 0.040 0.000 3.036 139 V HA 0.585 4.703 4.120 -0.003 0.000 0.308 139 V C 1.324 177.469 176.094 0.086 0.000 1.070 139 V CA -1.022 61.299 62.300 0.034 0.000 1.056 139 V CB 1.983 33.800 31.823 -0.010 0.000 1.084 139 V HN 0.141 nan 8.190 nan 0.000 0.471 140 I N 1.856 122.490 120.570 0.106 0.000 2.396 140 I HA 0.431 4.599 4.170 -0.003 0.000 0.292 140 I C -0.474 175.763 176.117 0.199 0.000 0.999 140 I CA -0.508 60.895 61.300 0.172 0.000 1.310 140 I CB 1.760 39.857 38.000 0.162 0.000 1.404 140 I HN 0.444 nan 8.210 nan 0.000 0.496 141 V N 7.147 127.249 119.914 0.313 0.000 2.513 141 V HA 0.496 4.614 4.120 -0.003 0.000 0.299 141 V C -0.122 176.295 176.094 0.538 0.000 1.035 141 V CA -0.623 61.919 62.300 0.404 0.000 0.889 141 V CB 2.041 34.093 31.823 0.382 0.000 0.988 141 V HN 0.398 nan 8.190 nan 0.000 0.440 142 V N 3.386 123.581 119.914 0.470 0.000 2.789 142 V HA 0.837 4.955 4.120 -0.003 0.000 0.311 142 V C -0.233 176.125 176.094 0.440 0.000 1.073 142 V CA -0.363 62.157 62.300 0.367 0.000 0.921 142 V CB 2.336 34.286 31.823 0.212 0.000 1.009 142 V HN 1.053 nan 8.190 nan 0.000 0.426 143 S N 4.580 120.512 115.700 0.387 0.000 2.564 143 S HA 0.921 5.389 4.470 -0.003 0.000 0.274 143 S C -0.967 173.787 174.600 0.257 0.000 1.124 143 S CA -0.817 57.627 58.200 0.407 0.000 0.869 143 S CB 2.472 66.044 63.200 0.620 0.000 1.105 143 S HN 1.003 nan 8.310 nan 0.000 0.472 144 M N 1.062 120.808 119.600 0.243 0.000 2.593 144 M HA 0.636 5.114 4.480 -0.003 0.000 0.290 144 M C -2.133 174.413 176.300 0.410 0.000 1.244 144 M CA -0.565 54.861 55.300 0.209 0.000 0.857 144 M CB 1.388 33.948 32.600 -0.066 0.000 1.738 144 M HN 0.579 nan 8.290 nan 0.000 0.461 145 N N 2.767 121.747 118.700 0.467 0.000 2.455 145 N HA 0.558 5.296 4.740 -0.003 0.000 0.280 145 N C -1.402 174.388 175.510 0.466 0.000 1.055 145 N CA 0.070 53.416 53.050 0.493 0.000 0.961 145 N CB 0.594 39.298 38.487 0.362 0.000 1.121 145 N HN 0.721 nan 8.380 nan 0.000 0.476 146 Y N -1.344 119.153 120.300 0.329 0.000 2.536 146 Y HA 0.585 5.133 4.550 -0.003 0.000 0.347 146 Y C 0.119 176.158 175.900 0.231 0.000 1.000 146 Y CA -1.373 56.854 58.100 0.212 0.000 1.051 146 Y CB 0.983 39.494 38.460 0.086 0.000 1.259 146 Y HN 0.186 nan 8.280 nan 0.000 0.468 147 R N 1.904 122.548 120.500 0.241 0.000 2.570 147 R HA 0.451 4.789 4.340 -0.003 0.000 0.277 147 R C -0.358 176.115 176.300 0.288 0.000 1.039 147 R CA -0.110 56.080 56.100 0.149 0.000 1.065 147 R CB 0.712 31.040 30.300 0.047 0.000 0.964 147 R HN 0.725 nan 8.270 nan 0.000 0.428 148 V N -0.415 119.658 119.914 0.265 0.000 3.158 148 V HA 0.905 5.023 4.120 -0.003 0.000 0.315 148 V C 0.618 176.937 176.094 0.375 0.000 1.148 148 V CA -0.202 62.364 62.300 0.443 0.000 1.042 148 V CB 1.267 33.262 31.823 0.287 0.000 1.101 148 V HN 0.991 nan 8.190 nan 0.000 0.448 149 G N 0.407 109.465 108.800 0.429 0.000 2.645 149 G HA2 0.103 4.061 3.960 -0.003 0.000 0.246 149 G HA3 0.103 4.061 3.960 -0.003 0.000 0.246 149 G C 0.925 175.943 174.900 0.197 0.000 1.322 149 G CA 0.613 45.888 45.100 0.291 0.000 0.898 149 G HN 2.249 nan 8.290 nan 0.000 0.573 150 A N -1.065 121.629 122.820 -0.210 0.000 2.019 150 A HA 0.167 4.485 4.320 -0.003 0.000 0.219 150 A C 2.609 180.208 177.584 0.025 0.000 1.164 150 A CA 2.236 53.937 52.037 -0.560 0.000 0.644 150 A CB -0.313 18.097 19.000 -0.983 0.000 0.805 150 A HN 1.051 nan 8.150 nan 0.000 0.449 151 L N -1.236 120.026 121.223 0.066 0.000 2.376 151 L HA -0.011 4.327 4.340 -0.003 0.000 0.219 151 L C 2.469 179.365 176.870 0.043 0.000 1.133 151 L CA 0.827 55.674 54.840 0.011 0.000 0.816 151 L CB -0.168 41.819 42.059 -0.121 0.000 0.933 151 L HN 0.475 nan 8.230 nan 0.000 0.449 152 G N -1.723 107.135 108.800 0.097 0.000 2.709 152 G HA2 -0.010 3.948 3.960 -0.003 0.000 0.208 152 G HA3 -0.010 3.948 3.960 -0.003 0.000 0.208 152 G C 0.831 175.498 174.900 -0.390 0.000 1.129 152 G CA 0.051 45.098 45.100 -0.088 0.000 0.793 152 G HN 0.302 nan 8.290 nan 0.000 0.524 153 F N -0.549 119.493 119.950 0.154 0.000 2.880 153 F HA 0.428 4.953 4.527 -0.003 0.000 0.328 153 F C 0.234 176.151 175.800 0.194 0.000 1.146 153 F CA -0.909 57.182 58.000 0.151 0.000 1.135 153 F CB 0.567 39.656 39.000 0.148 0.000 1.151 153 F HN -0.102 nan 8.300 nan 0.000 0.523 154 L N 2.234 123.602 121.223 0.242 0.000 2.540 154 L HA 0.422 4.760 4.340 -0.003 0.000 0.276 154 L C 0.170 177.110 176.870 0.117 0.000 1.212 154 L CA 0.288 55.213 54.840 0.141 0.000 0.893 154 L CB 0.323 42.260 42.059 -0.203 0.000 1.138 154 L HN 0.160 nan 8.230 nan 0.000 0.491 155 A N 5.956 128.859 122.820 0.138 0.000 2.343 155 A HA 0.704 5.022 4.320 -0.003 0.000 0.308 155 A C -1.467 176.143 177.584 0.043 0.000 1.092 155 A CA -0.531 51.559 52.037 0.088 0.000 0.751 155 A CB 0.998 20.066 19.000 0.113 0.000 1.203 155 A HN 0.500 nan 8.150 nan 0.000 0.452 156 L N 4.276 125.508 121.223 0.015 0.000 2.366 156 L HA 0.441 4.779 4.340 -0.003 0.000 0.266 156 L C -2.448 174.433 176.870 0.018 0.000 1.010 156 L CA -2.099 52.747 54.840 0.009 0.000 0.879 156 L CB 1.129 43.179 42.059 -0.015 0.000 1.228 156 L HN 0.392 nan 8.230 nan 0.000 0.439 157 P HA 0.299 nan 4.420 nan 0.000 0.265 157 P C 0.908 178.222 177.300 0.023 0.000 1.193 157 P CA 0.404 63.523 63.100 0.032 0.000 0.765 157 P CB 0.797 32.516 31.700 0.031 0.000 0.823 158 G N 1.728 110.544 108.800 0.027 0.000 2.176 158 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.253 158 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.253 158 G C 0.265 175.171 174.900 0.010 0.000 0.979 158 G CA -0.235 44.876 45.100 0.018 0.000 0.641 158 G HN 0.697 nan 8.290 nan 0.000 0.530 159 N N 0.936 119.641 118.700 0.009 0.000 2.485 159 N HA 0.453 5.191 4.740 -0.003 0.000 0.243 159 N C -1.154 174.358 175.510 0.004 0.000 0.987 159 N CA -2.078 50.974 53.050 0.003 0.000 0.940 159 N CB 1.851 40.337 38.487 -0.001 0.000 1.122 159 N HN 0.068 nan 8.380 nan 0.000 0.509 160 P HA 0.011 nan 4.420 nan 0.000 0.242 160 P C 0.370 177.673 177.300 0.005 0.000 1.197 160 P CA 0.600 63.695 63.100 -0.008 0.000 0.765 160 P CB 0.614 32.301 31.700 -0.022 0.000 0.936 161 E N 0.168 120.377 120.200 0.015 0.000 2.285 161 E HA 0.103 4.450 4.350 -0.003 0.000 0.194 161 E C 0.969 177.606 176.600 0.062 0.000 0.997 161 E CA 0.468 56.892 56.400 0.039 0.000 0.845 161 E CB 0.045 29.764 29.700 0.031 0.000 0.782 161 E HN 0.214 nan 8.360 nan 0.000 0.491 162 A N 1.163 123.997 122.820 0.023 0.000 3.330 162 A HA 0.247 4.565 4.320 -0.003 0.000 0.256 162 A C -2.221 175.372 177.584 0.014 0.000 1.185 162 A CA -0.700 51.339 52.037 0.004 0.000 0.940 162 A CB 0.581 19.494 19.000 -0.146 0.000 1.397 162 A HN -0.108 nan 8.150 nan 0.000 0.678 163 P HA 0.260 nan 4.420 nan 0.000 0.235 163 P C 0.865 178.213 177.300 0.079 0.000 1.177 163 P CA 1.550 64.679 63.100 0.049 0.000 0.785 163 P CB 0.490 32.216 31.700 0.042 0.000 0.885 164 G N 0.638 109.489 108.800 0.086 0.000 2.612 164 G HA2 -0.132 3.826 3.960 -0.003 0.000 0.686 164 G HA3 -0.132 3.826 3.960 -0.003 0.000 0.686 164 G C -0.216 174.736 174.900 0.088 0.000 1.274 164 G CA -0.288 44.877 45.100 0.107 0.000 0.849 164 G HN 0.046 nan 8.290 nan 0.000 0.595 165 N N -1.609 117.115 118.700 0.040 0.000 2.815 165 N HA -0.249 4.489 4.740 -0.003 0.000 0.247 165 N C 1.730 177.067 175.510 -0.288 0.000 1.030 165 N CA 2.163 55.126 53.050 -0.145 0.000 0.881 165 N CB -1.186 37.226 38.487 -0.125 0.000 1.134 165 N HN 0.765 nan 8.380 nan 0.000 0.582 166 M N -0.361 119.095 119.600 -0.239 0.000 2.089 166 M HA -0.120 4.358 4.480 -0.003 0.000 0.257 166 M C 2.376 178.524 176.300 -0.253 0.000 1.071 166 M CA 2.429 57.647 55.300 -0.137 0.000 1.096 166 M CB -0.713 31.811 32.600 -0.127 0.000 1.330 166 M HN 0.353 nan 8.290 nan 0.000 0.403 167 G N -0.765 107.626 108.800 -0.682 0.000 2.471 167 G HA2 -0.079 3.879 3.960 -0.003 0.000 0.219 167 G HA3 -0.079 3.879 3.960 -0.003 0.000 0.219 167 G C 1.544 176.320 174.900 -0.207 0.000 1.125 167 G CA 0.506 45.417 45.100 -0.316 0.000 0.775 167 G HN 0.400 nan 8.290 nan 0.000 0.548 168 L N -1.014 119.957 121.223 -0.420 0.000 2.156 168 L HA 0.143 4.481 4.340 -0.003 0.000 0.208 168 L C 2.484 179.095 176.870 -0.431 0.000 1.095 168 L CA 0.568 55.057 54.840 -0.586 0.000 0.770 168 L CB -0.260 41.063 42.059 -1.228 0.000 0.914 168 L HN 0.170 nan 8.230 nan 0.000 0.439 169 F N 0.050 119.882 119.950 -0.197 0.000 2.325 169 F HA -0.169 4.356 4.527 -0.004 0.000 0.299 169 F C 2.186 178.041 175.800 0.092 0.000 1.090 169 F CA 0.606 58.617 58.000 0.018 0.000 1.392 169 F CB -0.086 38.923 39.000 0.015 0.000 1.053 169 F HN 0.119 nan 8.300 nan 0.000 0.521 170 D N 0.194 120.733 120.400 0.232 0.000 2.084 170 D HA -0.190 4.448 4.640 -0.003 0.000 0.194 170 D C 2.143 178.617 176.300 0.290 0.000 0.990 170 D CA 1.304 55.492 54.000 0.314 0.000 0.826 170 D CB -0.607 40.367 40.800 0.290 0.000 0.971 170 D HN 0.324 nan 8.370 nan 0.000 0.453 171 Q N 0.321 120.199 119.800 0.130 0.000 2.077 171 Q HA -0.235 4.103 4.340 -0.003 0.000 0.206 171 Q C 2.248 178.274 176.000 0.044 0.000 0.989 171 Q CA 1.506 57.319 55.803 0.017 0.000 0.853 171 Q CB -0.194 28.528 28.738 -0.027 0.000 0.907 171 Q HN 0.373 nan 8.270 nan 0.000 0.418 172 Q N 0.293 120.220 119.800 0.211 0.000 2.096 172 Q HA -0.199 4.139 4.340 -0.003 0.000 0.204 172 Q C 1.987 178.106 176.000 0.198 0.000 0.982 172 Q CA 1.042 56.995 55.803 0.249 0.000 0.850 172 Q CB -0.028 28.957 28.738 0.413 0.000 0.901 172 Q HN 0.300 nan 8.270 nan 0.000 0.422 173 L N 0.156 121.528 121.223 0.249 0.000 2.217 173 L HA 0.022 4.360 4.340 -0.003 0.000 0.211 173 L C 2.032 179.001 176.870 0.165 0.000 1.107 173 L CA 1.756 56.757 54.840 0.268 0.000 0.783 173 L CB -0.586 41.692 42.059 0.365 0.000 0.919 173 L HN 0.245 nan 8.230 nan 0.000 0.442 174 A N -0.651 122.086 122.820 -0.137 0.000 1.929 174 A HA -0.094 4.224 4.320 -0.003 0.000 0.216 174 A C 2.155 179.708 177.584 -0.052 0.000 1.176 174 A CA 1.501 53.271 52.037 -0.445 0.000 0.628 174 A CB -0.675 17.805 19.000 -0.867 0.000 0.816 174 A HN 0.463 nan 8.150 nan 0.000 0.444 175 L N -1.017 120.192 121.223 -0.023 0.000 2.079 175 L HA -0.239 4.099 4.340 -0.003 0.000 0.210 175 L C 2.779 179.712 176.870 0.105 0.000 1.081 175 L CA 1.794 56.656 54.840 0.037 0.000 0.752 175 L CB -0.649 41.404 42.059 -0.010 0.000 0.896 175 L HN 0.447 nan 8.230 nan 0.000 0.433 176 Q N -0.227 119.651 119.800 0.129 0.000 2.119 176 Q HA -0.236 4.102 4.340 -0.003 0.000 0.201 176 Q C 2.017 178.098 176.000 0.135 0.000 0.972 176 Q CA 1.663 57.543 55.803 0.128 0.000 0.847 176 Q CB -0.391 28.431 28.738 0.141 0.000 0.903 176 Q HN 0.504 nan 8.270 nan 0.000 0.433 177 W N -0.736 120.571 121.300 0.011 0.000 2.358 177 W HA -0.186 4.473 4.660 -0.002 0.000 0.303 177 W C 1.611 178.127 176.519 -0.005 0.000 1.208 177 W CA 1.669 59.022 57.345 0.013 0.000 1.274 177 W CB -0.167 29.293 29.460 -0.001 0.000 1.138 177 W HN -0.002 nan 8.180 nan 0.000 0.515 178 V N 0.980 121.043 119.914 0.248 0.000 2.261 178 V HA -0.355 3.763 4.120 -0.003 0.000 0.246 178 V C 2.595 178.664 176.094 -0.042 0.000 1.047 178 V CA 2.131 64.493 62.300 0.105 0.000 1.015 178 V CB -1.187 30.738 31.823 0.171 0.000 0.642 178 V HN 0.174 nan 8.190 nan 0.000 0.446 179 Q N 0.353 120.154 119.800 0.002 0.000 2.096 179 Q HA -0.249 4.089 4.340 -0.003 0.000 0.208 179 Q C 2.244 178.194 176.000 -0.085 0.000 0.993 179 Q CA 1.848 57.641 55.803 -0.016 0.000 0.862 179 Q CB -0.435 28.315 28.738 0.020 0.000 0.915 179 Q HN 0.626 nan 8.270 nan 0.000 0.416 180 K N -0.314 119.999 120.400 -0.146 0.000 2.228 180 K HA 0.028 4.346 4.320 -0.003 0.000 0.202 180 K C 1.393 177.815 176.600 -0.297 0.000 1.051 180 K CA 0.667 56.837 56.287 -0.195 0.000 0.960 180 K CB 0.250 32.637 32.500 -0.189 0.000 0.743 180 K HN 0.199 nan 8.250 nan 0.000 0.458 181 N N 0.118 118.531 118.700 -0.479 0.000 2.360 181 N HA 0.027 4.765 4.740 -0.003 0.000 0.211 181 N C 1.468 176.829 175.510 -0.249 0.000 1.147 181 N CA 0.159 52.878 53.050 -0.552 0.000 0.866 181 N CB 0.397 38.115 38.487 -1.281 0.000 1.206 181 N HN -0.021 nan 8.380 nan 0.000 0.478 182 I N 2.192 122.636 120.570 -0.210 0.000 2.756 182 I HA -0.088 4.080 4.170 -0.003 0.000 0.262 182 I C 2.076 178.255 176.117 0.103 0.000 1.225 182 I CA 0.498 61.805 61.300 0.011 0.000 1.472 182 I CB 0.001 38.007 38.000 0.011 0.000 1.094 182 I HN 0.046 nan 8.210 nan 0.000 0.454 183 A N 0.110 122.943 122.820 0.022 0.000 1.969 183 A HA -0.035 4.283 4.320 -0.003 0.000 0.218 183 A C 2.474 180.068 177.584 0.017 0.000 1.169 183 A CA 1.307 53.356 52.037 0.021 0.000 0.635 183 A CB -0.894 18.097 19.000 -0.014 0.000 0.810 183 A HN 0.441 nan 8.150 nan 0.000 0.445 184 A N -1.220 121.590 122.820 -0.016 0.000 2.019 184 A HA 0.042 4.360 4.320 -0.003 0.000 0.219 184 A C 1.509 178.966 177.584 -0.212 0.000 1.164 184 A CA 1.144 53.093 52.037 -0.147 0.000 0.644 184 A CB -0.640 18.198 19.000 -0.269 0.000 0.805 184 A HN 0.475 nan 8.150 nan 0.000 0.449 185 F N -0.729 119.182 119.950 -0.065 0.000 2.732 185 F HA 0.366 4.891 4.527 -0.004 0.000 0.303 185 F C 1.754 177.573 175.800 0.031 0.000 1.110 185 F CA 0.422 58.411 58.000 -0.019 0.000 1.355 185 F CB -0.017 38.969 39.000 -0.023 0.000 1.081 185 F HN 0.326 nan 8.300 nan 0.000 0.565 186 G N 0.379 109.266 108.800 0.145 0.000 2.136 186 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.242 186 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.242 186 G C 0.532 175.500 174.900 0.113 0.000 0.989 186 G CA -0.155 45.012 45.100 0.112 0.000 0.682 186 G HN 0.747 nan 8.290 nan 0.000 0.522 187 G N -0.748 108.126 108.800 0.124 0.000 2.434 187 G HA2 0.506 4.464 3.960 -0.003 0.000 0.330 187 G HA3 0.506 4.464 3.960 -0.003 0.000 0.330 187 G C -0.323 174.612 174.900 0.058 0.000 1.155 187 G CA -0.415 44.741 45.100 0.094 0.000 0.917 187 G HN 0.346 nan 8.290 nan 0.000 0.493 188 N N 1.525 120.251 118.700 0.043 0.000 2.469 188 N HA 0.264 5.002 4.740 -0.003 0.000 0.239 188 N C -1.132 174.393 175.510 0.026 0.000 1.053 188 N CA -2.432 50.634 53.050 0.027 0.000 0.937 188 N CB 1.780 40.278 38.487 0.018 0.000 1.163 188 N HN 0.110 nan 8.380 nan 0.000 0.509 189 P HA -0.128 nan 4.420 nan 0.000 0.226 189 P C 0.219 177.534 177.300 0.024 0.000 1.146 189 P CA 1.134 64.247 63.100 0.022 0.000 0.773 189 P CB 0.374 32.077 31.700 0.005 0.000 0.772 190 K N -0.684 119.724 120.400 0.014 0.000 2.404 190 K HA 0.145 4.463 4.320 -0.003 0.000 0.194 190 K C 0.674 177.274 176.600 -0.000 0.000 1.023 190 K CA 0.200 56.491 56.287 0.006 0.000 1.094 190 K CB 0.262 32.762 32.500 -0.000 0.000 0.841 190 K HN -0.048 nan 8.250 nan 0.000 0.523 191 S N 1.325 117.028 115.700 0.005 0.000 2.216 191 S HA 0.257 4.725 4.470 -0.003 0.000 0.156 191 S C -1.083 173.521 174.600 0.008 0.000 1.665 191 S CA -0.559 57.633 58.200 -0.013 0.000 1.262 191 S CB 0.361 63.539 63.200 -0.035 0.000 1.207 191 S HN -0.118 nan 8.310 nan 0.000 0.427 192 V N 3.418 123.361 119.914 0.048 0.000 2.448 192 V HA 0.582 4.700 4.120 -0.003 0.000 0.295 192 V C 0.018 176.192 176.094 0.134 0.000 1.025 192 V CA -0.508 61.848 62.300 0.095 0.000 0.859 192 V CB 1.986 33.895 31.823 0.143 0.000 0.988 192 V HN 0.658 nan 8.190 nan 0.000 0.431 193 T N 6.196 120.810 114.554 0.100 0.000 2.792 193 T HA 0.609 4.957 4.350 -0.003 0.000 0.280 193 T C -0.289 174.506 174.700 0.157 0.000 0.990 193 T CA -0.362 61.819 62.100 0.135 0.000 0.960 193 T CB 1.007 69.907 68.868 0.052 0.000 0.939 193 T HN 0.354 nan 8.240 nan 0.000 0.439 194 L N 4.723 126.031 121.223 0.141 0.000 2.350 194 L HA 0.690 5.028 4.340 -0.003 0.000 0.275 194 L C -0.439 176.605 176.870 0.289 0.000 1.099 194 L CA -0.784 54.118 54.840 0.104 0.000 0.808 194 L CB 0.367 42.277 42.059 -0.248 0.000 1.149 194 L HN 0.617 nan 8.230 nan 0.000 0.442 195 F N 0.208 120.175 119.950 0.029 0.000 2.631 195 F HA 0.959 5.484 4.527 -0.004 0.000 0.308 195 F C -0.347 175.386 175.800 -0.112 0.000 1.097 195 F CA -1.714 56.335 58.000 0.082 0.000 0.952 195 F CB 1.486 40.656 39.000 0.284 0.000 1.307 195 F HN 0.501 nan 8.300 nan 0.000 0.450 196 G N 0.871 109.462 108.800 -0.348 0.000 2.547 196 G HA2 0.488 4.446 3.960 -0.003 0.000 0.291 196 G HA3 0.488 4.446 3.960 -0.003 0.000 0.291 196 G C -2.585 171.992 174.900 -0.538 0.000 1.471 196 G CA -0.779 43.706 45.100 -1.026 0.000 0.798 196 G HN 0.898 nan 8.290 nan 0.000 0.504 197 E N 0.277 120.134 120.200 -0.571 0.000 2.317 197 E HA 0.649 4.997 4.350 -0.003 0.000 0.270 197 E C 0.660 177.179 176.600 -0.135 0.000 0.885 197 E CA 0.236 56.552 56.400 -0.140 0.000 0.760 197 E CB 2.227 31.996 29.700 0.115 0.000 1.227 197 E HN 0.836 nan 8.360 nan 0.000 0.434 198 S N 2.320 118.011 115.700 -0.015 0.000 4.138 198 S HA -0.396 4.072 4.470 -0.003 0.000 0.574 198 S C 1.457 176.080 174.600 0.038 0.000 1.895 198 S CA 2.180 60.427 58.200 0.078 0.000 4.239 198 S CB -1.562 61.615 63.200 -0.039 0.000 0.264 198 S HN 0.944 nan 8.310 nan 0.000 0.489 199 A N 0.904 123.572 122.820 -0.252 0.000 2.019 199 A HA 0.152 4.470 4.320 -0.003 0.000 0.219 199 A C 2.382 179.686 177.584 -0.467 0.000 1.164 199 A CA 2.369 54.092 52.037 -0.524 0.000 0.644 199 A CB -1.439 16.867 19.000 -1.156 0.000 0.805 199 A HN 1.458 nan 8.150 nan 0.000 0.449 200 G N -0.651 107.934 108.800 -0.358 0.000 2.408 200 G HA2 0.067 4.025 3.960 -0.003 0.000 0.217 200 G HA3 0.067 4.025 3.960 -0.003 0.000 0.217 200 G C 1.697 176.403 174.900 -0.323 0.000 1.150 200 G CA 1.203 46.050 45.100 -0.423 0.000 0.776 200 G HN 0.737 nan 8.290 nan 0.000 0.542 201 A N 1.299 123.985 122.820 -0.224 0.000 1.902 201 A HA 0.281 4.599 4.320 -0.003 0.000 0.217 201 A C 2.819 180.335 177.584 -0.114 0.000 1.181 201 A CA 2.178 54.127 52.037 -0.146 0.000 0.623 201 A CB -0.818 18.138 19.000 -0.073 0.000 0.818 201 A HN 0.745 nan 8.150 nan 0.000 0.443 202 A N -0.701 122.107 122.820 -0.020 0.000 1.908 202 A HA -0.102 4.216 4.320 -0.003 0.000 0.218 202 A C 2.451 180.087 177.584 0.088 0.000 1.181 202 A CA 2.129 54.186 52.037 0.033 0.000 0.627 202 A CB -0.915 18.193 19.000 0.180 0.000 0.818 202 A HN 0.438 nan 8.150 nan 0.000 0.445 203 S N -0.624 115.112 115.700 0.061 0.000 2.370 203 S HA -0.140 4.328 4.470 -0.003 0.000 0.226 203 S C 1.923 176.543 174.600 0.033 0.000 1.033 203 S CA 1.460 59.676 58.200 0.027 0.000 1.011 203 S CB -0.446 62.694 63.200 -0.100 0.000 0.852 203 S HN 0.360 nan 8.310 nan 0.000 0.457 204 V N 2.244 122.145 119.914 -0.022 0.000 2.332 204 V HA -0.181 3.937 4.120 -0.003 0.000 0.248 204 V C 2.641 178.754 176.094 0.032 0.000 1.055 204 V CA 2.017 64.305 62.300 -0.021 0.000 1.038 204 V CB -1.042 30.716 31.823 -0.109 0.000 0.651 204 V HN 0.711 nan 8.190 nan 0.000 0.450 205 S N -0.226 115.461 115.700 -0.022 0.000 2.402 205 S HA -0.093 4.375 4.470 -0.003 0.000 0.229 205 S C 1.922 176.651 174.600 0.215 0.000 1.021 205 S CA 1.312 59.532 58.200 0.034 0.000 0.974 205 S CB -0.550 62.493 63.200 -0.261 0.000 0.800 205 S HN 0.526 nan 8.310 nan 0.000 0.484 206 L N 0.546 121.854 121.223 0.142 0.000 2.217 206 L HA -0.005 4.333 4.340 -0.003 0.000 0.211 206 L C 2.868 179.807 176.870 0.115 0.000 1.107 206 L CA 1.049 55.953 54.840 0.108 0.000 0.783 206 L CB -0.637 41.492 42.059 0.117 0.000 0.919 206 L HN 0.398 nan 8.230 nan 0.000 0.442 207 H N 0.035 119.234 119.070 0.216 0.000 2.389 207 H HA -0.092 4.462 4.556 -0.003 0.000 0.299 207 H C 2.378 177.958 175.328 0.419 0.000 1.081 207 H CA 1.243 57.407 56.048 0.194 0.000 1.345 207 H CB -0.026 29.711 29.762 -0.042 0.000 1.393 207 H HN 0.318 nan 8.280 nan 0.000 0.520 208 L N 0.449 122.001 121.223 0.549 0.000 2.127 208 L HA -0.180 4.158 4.340 -0.003 0.000 0.211 208 L C 2.361 179.567 176.870 0.561 0.000 1.089 208 L CA 0.819 56.027 54.840 0.614 0.000 0.757 208 L CB -0.245 42.149 42.059 0.559 0.000 0.899 208 L HN 0.209 nan 8.230 nan 0.000 0.434 209 L N -1.800 119.642 121.223 0.366 0.000 2.375 209 L HA 0.033 4.371 4.340 -0.003 0.000 0.215 209 L C 1.287 178.180 176.870 0.037 0.000 1.108 209 L CA 0.057 55.035 54.840 0.229 0.000 0.830 209 L CB -0.130 41.931 42.059 0.004 0.000 0.959 209 L HN 0.073 nan 8.230 nan 0.000 0.457 210 S N 0.176 115.783 115.700 -0.155 0.000 2.465 210 S HA 0.223 4.691 4.470 -0.003 0.000 0.279 210 S C -1.589 172.587 174.600 -0.706 0.000 1.201 210 S CA -1.408 56.441 58.200 -0.583 0.000 1.053 210 S CB 1.304 63.698 63.200 -1.343 0.000 0.953 210 S HN -0.105 nan 8.310 nan 0.000 0.488 211 P HA 0.041 nan 4.420 nan 0.000 0.220 211 P C 1.395 178.437 177.300 -0.431 0.000 1.148 211 P CA 0.646 63.307 63.100 -0.731 0.000 0.803 211 P CB -0.011 31.475 31.700 -0.357 0.000 0.782 212 G N -0.900 107.732 108.800 -0.280 0.000 2.484 212 G HA2 -0.155 3.803 3.960 -0.003 0.000 0.218 212 G HA3 -0.155 3.803 3.960 -0.003 0.000 0.218 212 G C 1.430 176.331 174.900 0.001 0.000 1.130 212 G CA 0.487 45.538 45.100 -0.082 0.000 0.784 212 G HN 0.212 nan 8.290 nan 0.000 0.543 213 S N 0.029 115.722 115.700 -0.011 0.000 2.501 213 S HA 0.055 4.523 4.470 -0.003 0.000 0.220 213 S C 1.902 176.731 174.600 0.381 0.000 0.997 213 S CA -0.060 58.301 58.200 0.268 0.000 0.919 213 S CB -0.180 63.314 63.200 0.490 0.000 0.778 213 S HN 0.431 nan 8.310 nan 0.000 0.523 214 H N 2.177 121.304 119.070 0.096 0.000 2.387 214 H HA -0.034 4.519 4.556 -0.004 0.000 0.299 214 H C 2.443 177.701 175.328 -0.116 0.000 1.099 214 H CA 1.416 57.430 56.048 -0.058 0.000 1.315 214 H CB -0.674 29.048 29.762 -0.066 0.000 1.380 214 H HN 0.522 nan 8.280 nan 0.000 0.513 215 S N 0.022 115.782 115.700 0.100 0.000 2.603 215 S HA 0.058 4.526 4.470 -0.003 0.000 0.220 215 S C 1.596 176.239 174.600 0.071 0.000 0.967 215 S CA 0.048 58.275 58.200 0.046 0.000 0.920 215 S CB -0.281 62.944 63.200 0.042 0.000 0.773 215 S HN 0.311 nan 8.310 nan 0.000 0.529 216 L N 0.818 122.138 121.223 0.161 0.000 2.607 216 L HA 0.478 4.816 4.340 -0.003 0.000 0.228 216 L C 0.045 177.110 176.870 0.325 0.000 1.123 216 L CA -0.309 54.657 54.840 0.210 0.000 0.890 216 L CB -0.347 41.841 42.059 0.217 0.000 1.103 216 L HN 0.541 nan 8.230 nan 0.000 0.468 217 F N -4.475 115.502 119.950 0.044 0.000 2.773 217 F HA 0.450 4.975 4.527 -0.004 0.000 0.314 217 F C 0.268 176.089 175.800 0.034 0.000 1.160 217 F CA -0.850 57.170 58.000 0.035 0.000 0.920 217 F CB 0.785 39.805 39.000 0.033 0.000 1.323 217 F HN -0.323 nan 8.300 nan 0.000 0.457 218 T N -0.400 114.209 114.554 0.093 0.000 3.071 218 T HA 0.408 4.756 4.350 -0.003 0.000 0.239 218 T C 0.500 175.183 174.700 -0.028 0.000 0.997 218 T CA 0.347 62.412 62.100 -0.059 0.000 1.134 218 T CB 0.102 68.955 68.868 -0.026 0.000 0.928 218 T HN 0.515 nan 8.240 nan 0.000 0.453 219 R N -0.302 120.315 120.500 0.195 0.000 2.846 219 R HA 0.803 5.141 4.340 -0.003 0.000 0.263 219 R C -1.816 174.755 176.300 0.452 0.000 1.080 219 R CA -0.841 55.393 56.100 0.224 0.000 0.961 219 R CB 2.021 32.280 30.300 -0.067 0.000 1.231 219 R HN 0.265 nan 8.270 nan 0.000 0.465 220 A N 1.198 124.280 122.820 0.436 0.000 2.488 220 A HA 0.625 4.943 4.320 -0.003 0.000 0.298 220 A C -1.226 176.468 177.584 0.182 0.000 1.044 220 A CA -0.610 51.610 52.037 0.306 0.000 0.693 220 A CB 1.233 20.402 19.000 0.282 0.000 1.272 220 A HN 0.529 nan 8.150 nan 0.000 0.402 221 I N 2.199 122.814 120.570 0.075 0.000 2.406 221 I HA 0.394 4.562 4.170 -0.003 0.000 0.290 221 I C -1.382 174.726 176.117 -0.015 0.000 0.999 221 I CA -0.677 60.569 61.300 -0.091 0.000 1.124 221 I CB 1.750 39.703 38.000 -0.078 0.000 1.289 221 I HN 0.422 nan 8.210 nan 0.000 0.441 222 L N 6.697 127.870 121.223 -0.083 0.000 2.345 222 L HA 0.378 4.716 4.340 -0.003 0.000 0.274 222 L C -0.340 176.517 176.870 -0.021 0.000 0.999 222 L CA -0.186 54.600 54.840 -0.090 0.000 0.849 222 L CB 1.404 43.328 42.059 -0.225 0.000 1.220 222 L HN 0.502 nan 8.230 nan 0.000 0.422 223 Q N 1.943 121.795 119.800 0.087 0.000 2.360 223 Q HA 0.429 4.767 4.340 -0.003 0.000 0.254 223 Q C 0.105 176.153 176.000 0.080 0.000 0.975 223 Q CA -0.469 55.447 55.803 0.188 0.000 0.912 223 Q CB 1.121 30.072 28.738 0.355 0.000 1.212 223 Q HN 0.623 nan 8.270 nan 0.000 0.452 224 S N 1.326 117.054 115.700 0.048 0.000 3.550 224 S HA -0.153 4.315 4.470 -0.003 0.000 0.372 224 S C 0.021 174.793 174.600 0.287 0.000 0.966 224 S CA 0.497 58.769 58.200 0.119 0.000 1.229 224 S CB -1.180 62.002 63.200 -0.030 0.000 0.917 224 S HN 0.988 nan 8.310 nan 0.000 0.496 225 G N -0.416 108.504 108.800 0.200 0.000 2.442 225 G HA2 0.645 4.603 3.960 -0.003 0.000 0.296 225 G HA3 0.645 4.603 3.960 -0.003 0.000 0.296 225 G C -1.033 173.822 174.900 -0.075 0.000 1.564 225 G CA 0.124 45.378 45.100 0.257 0.000 0.828 225 G HN 1.311 nan 8.290 nan 0.000 0.571 226 S N -0.753 114.795 115.700 -0.253 0.000 2.552 226 S HA 0.509 4.977 4.470 -0.003 0.000 0.272 226 S C 0.479 174.743 174.600 -0.561 0.000 1.150 226 S CA -0.210 57.676 58.200 -0.523 0.000 0.849 226 S CB 0.971 63.748 63.200 -0.704 0.000 1.113 226 S HN 1.928 nan 8.310 nan 0.000 0.458 227 F N 1.710 121.445 119.950 -0.359 0.000 2.333 227 F HA 0.029 4.555 4.527 -0.003 0.000 0.300 227 F C 1.606 177.230 175.800 -0.294 0.000 1.083 227 F CA 1.236 59.069 58.000 -0.278 0.000 1.395 227 F CB -0.483 38.440 39.000 -0.129 0.000 1.056 227 F HN 0.645 nan 8.300 nan 0.000 0.529 228 N N 1.594 119.587 118.700 -1.179 0.000 2.461 228 N HA 0.088 4.826 4.740 -0.003 0.000 0.188 228 N C 0.507 175.699 175.510 -0.529 0.000 1.134 228 N CA 0.554 53.200 53.050 -0.674 0.000 0.878 228 N CB -0.646 37.452 38.487 -0.649 0.000 0.972 228 N HN 0.384 nan 8.380 nan 0.000 0.456 229 A N 2.189 124.567 122.820 -0.736 0.000 2.498 229 A HA 0.228 4.546 4.320 -0.003 0.000 0.239 229 A C -0.935 176.080 177.584 -0.948 0.000 1.068 229 A CA -0.936 50.525 52.037 -0.961 0.000 0.766 229 A CB 0.289 18.367 19.000 -1.537 0.000 1.003 229 A HN 0.111 nan 8.150 nan 0.000 0.497 230 P HA -0.131 nan 4.420 nan 0.000 0.222 230 P C 1.093 178.179 177.300 -0.356 0.000 1.147 230 P CA 1.408 64.208 63.100 -0.500 0.000 0.790 230 P CB -0.114 31.241 31.700 -0.574 0.000 0.780 231 W N -1.299 119.820 121.300 -0.302 0.000 3.139 231 W HA 0.536 5.194 4.660 -0.004 0.000 0.260 231 W C 1.108 177.569 176.519 -0.097 0.000 1.312 231 W CA 0.350 57.574 57.345 -0.201 0.000 1.606 231 W CB -1.133 28.164 29.460 -0.273 0.000 1.118 231 W HN -0.101 nan 8.180 nan 0.000 0.675 232 A N 1.175 123.736 122.820 -0.433 0.000 2.132 232 A HA 0.323 4.641 4.320 -0.003 0.000 0.213 232 A C 0.618 178.128 177.584 -0.124 0.000 1.154 232 A CA 0.675 52.572 52.037 -0.233 0.000 0.753 232 A CB -0.249 18.362 19.000 -0.648 0.000 0.826 232 A HN -0.002 nan 8.150 nan 0.000 0.469 233 V N 0.903 120.740 119.914 -0.128 0.000 2.577 233 V HA 0.290 4.408 4.120 -0.003 0.000 0.303 233 V C -0.473 175.569 176.094 -0.087 0.000 1.042 233 V CA -0.658 61.571 62.300 -0.119 0.000 0.872 233 V CB 1.627 33.416 31.823 -0.056 0.000 0.998 233 V HN 0.215 nan 8.190 nan 0.000 0.423 234 T N 3.636 118.129 114.554 -0.101 0.000 2.779 234 T HA 0.235 4.583 4.350 -0.003 0.000 0.296 234 T C 0.637 175.318 174.700 -0.031 0.000 0.938 234 T CA 0.026 62.086 62.100 -0.068 0.000 1.119 234 T CB 0.687 69.507 68.868 -0.080 0.000 0.891 234 T HN 0.942 nan 8.240 nan 0.000 0.526 235 S N 3.486 119.179 115.700 -0.012 0.000 2.589 235 S HA 0.128 4.596 4.470 -0.003 0.000 0.265 235 S C 1.404 176.033 174.600 0.048 0.000 1.342 235 S CA -0.749 57.465 58.200 0.024 0.000 1.005 235 S CB 0.332 63.557 63.200 0.043 0.000 0.909 235 S HN 0.458 nan 8.310 nan 0.000 0.555 236 L N 1.432 122.696 121.223 0.067 0.000 2.046 236 L HA -0.006 4.332 4.340 -0.003 0.000 0.208 236 L C 2.267 179.214 176.870 0.128 0.000 1.077 236 L CA 1.791 56.676 54.840 0.074 0.000 0.747 236 L CB -1.282 40.808 42.059 0.052 0.000 0.896 236 L HN 0.893 nan 8.230 nan 0.000 0.432 237 Y N 0.925 121.219 120.300 -0.010 0.000 2.053 237 Y HA -0.311 4.237 4.550 -0.003 0.000 0.277 237 Y C 2.511 178.398 175.900 -0.021 0.000 1.159 237 Y CA 2.159 60.252 58.100 -0.012 0.000 1.125 237 Y CB -0.611 37.844 38.460 -0.009 0.000 0.969 237 Y HN 0.344 nan 8.280 nan 0.000 0.492 238 E N -0.321 119.944 120.200 0.109 0.000 2.058 238 E HA -0.212 4.135 4.350 -0.003 0.000 0.194 238 E C 2.385 178.974 176.600 -0.018 0.000 0.997 238 E CA 1.310 57.686 56.400 -0.040 0.000 0.801 238 E CB -0.390 29.257 29.700 -0.089 0.000 0.746 238 E HN 0.507 nan 8.360 nan 0.000 0.450 239 A N 1.366 124.192 122.820 0.010 0.000 1.908 239 A HA -0.247 4.071 4.320 -0.003 0.000 0.218 239 A C 2.102 179.714 177.584 0.046 0.000 1.181 239 A CA 1.789 53.834 52.037 0.012 0.000 0.627 239 A CB -0.514 18.516 19.000 0.049 0.000 0.818 239 A HN 0.128 nan 8.150 nan 0.000 0.445 240 R N -0.471 120.073 120.500 0.075 0.000 2.075 240 R HA -0.169 4.169 4.340 -0.003 0.000 0.232 240 R C 2.041 178.386 176.300 0.075 0.000 1.126 240 R CA 1.750 57.894 56.100 0.075 0.000 0.963 240 R CB -0.375 29.969 30.300 0.074 0.000 0.858 240 R HN 0.522 nan 8.270 nan 0.000 0.435 241 N N 0.348 119.102 118.700 0.091 0.000 2.120 241 N HA -0.142 4.596 4.740 -0.003 0.000 0.188 241 N C 1.631 177.156 175.510 0.025 0.000 1.024 241 N CA 1.591 54.680 53.050 0.065 0.000 0.852 241 N CB 0.062 38.571 38.487 0.037 0.000 1.003 241 N HN 0.246 nan 8.380 nan 0.000 0.424 242 R N -1.063 119.430 120.500 -0.012 0.000 2.075 242 R HA 0.068 4.406 4.340 -0.003 0.000 0.226 242 R C 2.043 178.418 176.300 0.125 0.000 1.114 242 R CA 1.465 57.543 56.100 -0.037 0.000 0.972 242 R CB -0.541 29.579 30.300 -0.299 0.000 0.869 242 R HN 0.168 nan 8.270 nan 0.000 0.437 243 T N 1.835 116.482 114.554 0.154 0.000 2.665 243 T HA -0.134 4.214 4.350 -0.003 0.000 0.268 243 T C 1.844 176.598 174.700 0.089 0.000 1.035 243 T CA 1.250 63.442 62.100 0.153 0.000 1.151 243 T CB -0.167 68.753 68.868 0.086 0.000 0.862 243 T HN 0.118 nan 8.240 nan 0.000 0.438 244 L N 0.726 121.989 121.223 0.066 0.000 2.056 244 L HA -0.082 4.256 4.340 -0.003 0.000 0.207 244 L C 2.612 179.515 176.870 0.056 0.000 1.078 244 L CA 0.958 55.827 54.840 0.048 0.000 0.749 244 L CB -0.628 41.455 42.059 0.040 0.000 0.901 244 L HN 0.183 nan 8.230 nan 0.000 0.433 245 N N 0.326 119.064 118.700 0.064 0.000 2.069 245 N HA -0.216 4.522 4.740 -0.003 0.000 0.191 245 N C 1.723 177.294 175.510 0.103 0.000 1.031 245 N CA 1.181 54.273 53.050 0.070 0.000 0.852 245 N CB -0.507 38.015 38.487 0.059 0.000 1.018 245 N HN 0.100 nan 8.380 nan 0.000 0.423 246 L N 0.990 122.302 121.223 0.148 0.000 2.013 246 L HA -0.150 4.188 4.340 -0.003 0.000 0.212 246 L C 2.067 178.995 176.870 0.097 0.000 1.073 246 L CA 1.894 56.831 54.840 0.161 0.000 0.753 246 L CB -1.100 41.086 42.059 0.212 0.000 0.890 246 L HN 0.188 nan 8.230 nan 0.000 0.432 247 A N -0.517 122.343 122.820 0.066 0.000 1.873 247 A HA -0.355 3.963 4.320 -0.003 0.000 0.218 247 A C 2.447 180.057 177.584 0.044 0.000 1.193 247 A CA 2.412 54.474 52.037 0.042 0.000 0.629 247 A CB -0.806 18.209 19.000 0.025 0.000 0.826 247 A HN 0.526 nan 8.150 nan 0.000 0.447 248 K N -0.504 119.923 120.400 0.045 0.000 2.074 248 K HA -0.114 4.204 4.320 -0.003 0.000 0.209 248 K C 1.823 178.447 176.600 0.041 0.000 1.048 248 K CA 1.751 58.060 56.287 0.036 0.000 0.926 248 K CB -0.354 32.165 32.500 0.032 0.000 0.713 248 K HN 0.463 nan 8.250 nan 0.000 0.444 249 L N 0.312 121.571 121.223 0.060 0.000 2.217 249 L HA -0.078 4.260 4.340 -0.003 0.000 0.211 249 L C 1.996 178.905 176.870 0.065 0.000 1.107 249 L CA 1.440 56.320 54.840 0.067 0.000 0.783 249 L CB -0.284 41.843 42.059 0.112 0.000 0.919 249 L HN 0.418 nan 8.230 nan 0.000 0.442 250 T N -3.918 110.676 114.554 0.066 0.000 3.122 250 T HA 0.258 4.606 4.350 -0.003 0.000 0.250 250 T C 1.330 176.056 174.700 0.045 0.000 1.067 250 T CA 0.274 62.410 62.100 0.060 0.000 0.966 250 T CB 0.366 69.275 68.868 0.068 0.000 1.002 250 T HN 0.391 nan 8.240 nan 0.000 0.542 251 G N 0.300 109.123 108.800 0.037 0.000 2.198 251 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.260 251 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.260 251 G C 0.565 175.482 174.900 0.027 0.000 1.025 251 G CA 0.027 45.144 45.100 0.028 0.000 0.769 251 G HN 0.635 nan 8.290 nan 0.000 0.507 252 c N 1.115 119.734 118.600 0.030 0.000 2.778 252 c HA 0.496 5.064 4.570 -0.003 0.000 0.294 252 c C 1.600 175.702 174.090 0.020 0.000 1.331 252 c CA 0.020 56.365 56.329 0.026 0.000 1.741 252 c CB -0.865 41.662 42.510 0.030 0.000 2.106 252 c HN 0.595 nan 8.230 nan 0.000 0.603 253 S N 1.871 117.583 115.700 0.020 0.000 2.509 253 S HA 0.317 4.785 4.470 -0.003 0.000 0.287 253 S C 0.263 174.870 174.600 0.012 0.000 1.248 253 S CA 0.570 58.779 58.200 0.016 0.000 1.089 253 S CB 0.317 63.526 63.200 0.016 0.000 0.900 253 S HN 0.521 nan 8.310 nan 0.000 0.496 254 R N 1.463 121.968 120.500 0.009 0.000 2.922 254 R HA 0.473 4.811 4.340 -0.003 0.000 0.256 254 R C 0.866 177.169 176.300 0.005 0.000 1.138 254 R CA -0.750 55.354 56.100 0.007 0.000 0.995 254 R CB 0.508 30.812 30.300 0.006 0.000 1.226 254 R HN 0.537 nan 8.270 nan 0.000 0.481 255 E N -0.273 119.929 120.200 0.004 0.000 2.132 255 E HA 0.101 4.449 4.350 -0.003 0.000 0.193 255 E C -0.176 176.425 176.600 0.000 0.000 0.951 255 E CA 0.228 56.629 56.400 0.002 0.000 0.843 255 E CB 0.198 29.899 29.700 0.002 0.000 0.807 255 E HN 0.362 nan 8.360 nan 0.000 0.467 256 N N 1.265 119.965 118.700 0.001 0.000 2.470 256 N HA -0.037 4.701 4.740 -0.003 0.000 0.268 256 N C 0.146 175.655 175.510 -0.002 0.000 1.136 256 N CA 0.365 53.415 53.050 -0.000 0.000 0.961 256 N CB 1.083 39.571 38.487 0.001 0.000 1.067 256 N HN 0.171 nan 8.380 nan 0.000 0.468 257 E N 1.664 121.862 120.200 -0.004 0.000 2.152 257 E HA -0.088 4.260 4.350 -0.003 0.000 0.192 257 E C 0.922 177.515 176.600 -0.011 0.000 0.983 257 E CA 1.163 57.558 56.400 -0.009 0.000 0.818 257 E CB 0.185 29.879 29.700 -0.010 0.000 0.758 257 E HN 0.657 nan 8.360 nan 0.000 0.467 258 T N 0.713 115.264 114.554 -0.005 0.000 2.929 258 T HA -0.161 4.187 4.350 -0.003 0.000 0.271 258 T C 1.631 176.333 174.700 0.003 0.000 1.085 258 T CA 1.184 63.284 62.100 -0.001 0.000 1.125 258 T CB -0.058 68.812 68.868 0.003 0.000 0.874 258 T HN 0.186 nan 8.240 nan 0.000 0.494 259 E N 0.101 120.302 120.200 0.002 0.000 2.216 259 E HA 0.131 4.479 4.350 -0.003 0.000 0.192 259 E C 1.982 178.586 176.600 0.007 0.000 0.973 259 E CA 0.089 56.494 56.400 0.007 0.000 0.851 259 E CB -0.028 29.676 29.700 0.007 0.000 0.804 259 E HN 0.435 nan 8.360 nan 0.000 0.477 260 I N 1.110 121.678 120.570 -0.003 0.000 2.208 260 I HA -0.286 3.882 4.170 -0.003 0.000 0.245 260 I C 1.819 177.928 176.117 -0.015 0.000 1.097 260 I CA 0.701 61.995 61.300 -0.009 0.000 1.363 260 I CB -0.187 37.799 38.000 -0.023 0.000 1.051 260 I HN 0.255 nan 8.210 nan 0.000 0.413 261 I N 0.408 120.964 120.570 -0.024 0.000 2.353 261 I HA -0.211 3.957 4.170 -0.003 0.000 0.248 261 I C 2.459 178.613 176.117 0.063 0.000 1.119 261 I CA 1.351 62.639 61.300 -0.020 0.000 1.417 261 I CB -1.218 36.763 38.000 -0.032 0.000 1.078 261 I HN 0.247 nan 8.210 nan 0.000 0.421 262 K N 0.433 120.862 120.400 0.049 0.000 2.097 262 K HA -0.182 4.136 4.320 -0.003 0.000 0.205 262 K C 2.381 179.018 176.600 0.061 0.000 1.050 262 K CA 1.170 57.492 56.287 0.057 0.000 0.938 262 K CB -0.414 32.107 32.500 0.036 0.000 0.718 262 K HN 0.375 nan 8.250 nan 0.000 0.442 263 c N 0.934 119.563 118.600 0.049 0.000 2.446 263 c HA -0.014 4.554 4.570 -0.003 0.000 0.277 263 c C 2.676 176.810 174.090 0.073 0.000 1.275 263 c CA 0.439 56.797 56.329 0.048 0.000 1.727 263 c CB -0.986 41.544 42.510 0.034 0.000 2.010 263 c HN 0.449 nan 8.230 nan 0.000 0.486 264 L N 0.418 121.699 121.223 0.095 0.000 2.191 264 L HA -0.074 4.264 4.340 -0.003 0.000 0.212 264 L C 2.892 179.907 176.870 0.240 0.000 1.103 264 L CA 1.290 56.230 54.840 0.167 0.000 0.769 264 L CB -0.617 41.536 42.059 0.156 0.000 0.908 264 L HN 0.353 nan 8.230 nan 0.000 0.438 265 R N -0.053 120.576 120.500 0.215 0.000 2.280 265 R HA -0.045 4.293 4.340 -0.003 0.000 0.207 265 R C 1.269 177.602 176.300 0.055 0.000 1.043 265 R CA 0.603 56.780 56.100 0.128 0.000 1.006 265 R CB -0.205 30.162 30.300 0.113 0.000 0.885 265 R HN 0.470 nan 8.270 nan 0.000 0.467 266 N N 0.380 119.115 118.700 0.058 0.000 2.373 266 N HA -0.010 4.728 4.740 -0.003 0.000 0.181 266 N C 0.063 175.593 175.510 0.034 0.000 1.082 266 N CA 0.457 53.528 53.050 0.035 0.000 0.885 266 N CB 0.282 38.787 38.487 0.031 0.000 0.977 266 N HN -0.044 nan 8.380 nan 0.000 0.462 267 K N 2.130 122.560 120.400 0.050 0.000 2.319 267 K HA 0.033 4.351 4.320 -0.003 0.000 0.265 267 K C 0.164 176.780 176.600 0.026 0.000 1.000 267 K CA 0.008 56.323 56.287 0.045 0.000 0.943 267 K CB 0.396 32.935 32.500 0.067 0.000 0.950 267 K HN 0.248 nan 8.250 nan 0.000 0.485 268 D N 0.409 120.820 120.400 0.019 0.000 2.326 268 D HA 0.256 4.894 4.640 -0.003 0.000 0.251 268 D C -2.010 174.291 176.300 0.001 0.000 1.023 268 D CA -2.002 52.000 54.000 0.003 0.000 0.966 268 D CB 0.353 41.154 40.800 0.002 0.000 1.156 268 D HN 0.028 nan 8.370 nan 0.000 0.494 269 P HA -0.193 nan 4.420 nan 0.000 0.216 269 P C 1.357 178.658 177.300 0.000 0.000 1.150 269 P CA 1.226 64.314 63.100 -0.021 0.000 0.843 269 P CB 0.160 31.840 31.700 -0.033 0.000 0.787 270 Q N -0.105 119.699 119.800 0.007 0.000 2.124 270 Q HA -0.200 4.138 4.340 -0.003 0.000 0.202 270 Q C 2.137 178.156 176.000 0.030 0.000 0.977 270 Q CA 1.532 57.345 55.803 0.016 0.000 0.850 270 Q CB -0.651 28.097 28.738 0.016 0.000 0.901 270 Q HN 0.426 nan 8.270 nan 0.000 0.429 271 E N -0.438 119.783 120.200 0.035 0.000 2.072 271 E HA -0.104 4.244 4.350 -0.003 0.000 0.191 271 E C 2.034 178.671 176.600 0.063 0.000 0.985 271 E CA 0.581 57.012 56.400 0.051 0.000 0.801 271 E CB 0.001 29.730 29.700 0.048 0.000 0.750 271 E HN 0.316 nan 8.360 nan 0.000 0.452 272 I N 0.712 121.314 120.570 0.054 0.000 2.202 272 I HA -0.289 3.879 4.170 -0.003 0.000 0.242 272 I C 2.259 178.402 176.117 0.043 0.000 1.091 272 I CA 0.862 62.197 61.300 0.059 0.000 1.368 272 I CB -0.119 37.920 38.000 0.065 0.000 1.058 272 I HN 0.185 nan 8.210 nan 0.000 0.410 273 L N -0.111 121.128 121.223 0.028 0.000 2.046 273 L HA -0.231 4.107 4.340 -0.003 0.000 0.208 273 L C 2.500 179.378 176.870 0.014 0.000 1.077 273 L CA 1.257 56.107 54.840 0.017 0.000 0.747 273 L CB -0.475 41.589 42.059 0.009 0.000 0.896 273 L HN 0.251 nan 8.230 nan 0.000 0.432 274 L N -0.334 120.911 121.223 0.036 0.000 2.191 274 L HA -0.198 4.140 4.340 -0.003 0.000 0.212 274 L C 1.861 178.774 176.870 0.071 0.000 1.103 274 L CA 1.541 56.410 54.840 0.049 0.000 0.769 274 L CB -0.316 41.800 42.059 0.095 0.000 0.908 274 L HN 0.333 nan 8.230 nan 0.000 0.438 275 N N -1.293 117.479 118.700 0.119 0.000 2.405 275 N HA -0.086 4.651 4.740 -0.003 0.000 0.175 275 N C 1.454 177.056 175.510 0.153 0.000 1.051 275 N CA 0.153 53.336 53.050 0.221 0.000 0.899 275 N CB 0.156 38.777 38.487 0.224 0.000 1.000 275 N HN 0.250 nan 8.380 nan 0.000 0.451 276 E N 0.946 121.209 120.200 0.105 0.000 2.147 276 E HA -0.240 4.108 4.350 -0.003 0.000 0.199 276 E C 1.796 178.443 176.600 0.078 0.000 1.005 276 E CA 1.177 57.701 56.400 0.206 0.000 0.810 276 E CB -0.112 29.698 29.700 0.183 0.000 0.736 276 E HN 0.443 nan 8.360 nan 0.000 0.460 277 A N 0.182 122.879 122.820 -0.205 0.000 2.067 277 A HA -0.107 4.211 4.320 -0.003 0.000 0.219 277 A C 1.398 178.803 177.584 -0.297 0.000 1.158 277 A CA 0.905 52.724 52.037 -0.363 0.000 0.661 277 A CB -0.263 18.351 19.000 -0.643 0.000 0.801 277 A HN 0.169 nan 8.150 nan 0.000 0.452 278 F N -0.924 119.061 119.950 0.057 0.000 2.695 278 F HA 0.115 4.640 4.527 -0.003 0.000 0.303 278 F C 1.915 177.724 175.800 0.016 0.000 1.091 278 F CA 0.180 58.198 58.000 0.030 0.000 1.300 278 F CB -0.203 38.816 39.000 0.032 0.000 1.071 278 F HN 0.099 nan 8.300 nan 0.000 0.578 279 V N -2.561 117.451 119.914 0.164 0.000 3.305 279 V HA 0.055 4.173 4.120 -0.003 0.000 0.269 279 V C 0.557 176.640 176.094 -0.018 0.000 1.157 279 V CA 0.400 62.752 62.300 0.085 0.000 1.157 279 V CB -1.015 30.864 31.823 0.093 0.000 0.772 279 V HN -0.043 nan 8.190 nan 0.000 0.498 280 V N 1.558 121.457 119.914 -0.025 0.000 2.715 280 V HA 0.468 4.586 4.120 -0.003 0.000 0.310 280 V C -1.169 174.879 176.094 -0.077 0.000 1.054 280 V CA -0.936 61.313 62.300 -0.084 0.000 0.928 280 V CB 2.115 33.897 31.823 -0.069 0.000 1.007 280 V HN 0.245 nan 8.190 nan 0.000 0.437 281 P HA 0.088 nan 4.420 nan 0.000 0.239 281 P C -0.570 176.660 177.300 -0.117 0.000 1.188 281 P CA 0.662 63.636 63.100 -0.211 0.000 0.794 281 P CB 0.046 31.530 31.700 -0.360 0.000 0.937 282 Y N -2.384 117.922 120.300 0.009 0.000 2.330 282 Y HA 0.756 5.304 4.550 -0.003 0.000 0.324 282 Y C 0.048 175.932 175.900 -0.027 0.000 1.093 282 Y CA -1.812 56.287 58.100 -0.002 0.000 1.103 282 Y CB 0.799 39.257 38.460 -0.003 0.000 1.183 282 Y HN -0.160 nan 8.280 nan 0.000 0.433 283 G N 1.469 110.371 108.800 0.171 0.000 2.528 283 G HA2 0.560 4.518 3.960 -0.003 0.000 0.289 283 G HA3 0.560 4.518 3.960 -0.003 0.000 0.289 283 G C -0.436 174.451 174.900 -0.022 0.000 1.192 283 G CA -0.202 44.937 45.100 0.065 0.000 0.921 283 G HN 0.881 nan 8.290 nan 0.000 0.512 284 T N -2.727 111.779 114.554 -0.080 0.000 2.888 284 T HA 0.552 4.900 4.350 -0.003 0.000 0.288 284 T C -2.183 172.434 174.700 -0.139 0.000 1.063 284 T CA -1.486 60.491 62.100 -0.204 0.000 1.010 284 T CB 2.023 70.729 68.868 -0.270 0.000 1.214 284 T HN 0.113 nan 8.240 nan 0.000 0.533 285 P HA 0.107 nan 4.420 nan 0.000 0.226 285 P C 0.879 178.257 177.300 0.130 0.000 1.146 285 P CA 0.686 63.809 63.100 0.037 0.000 0.773 285 P CB -0.094 31.751 31.700 0.241 0.000 0.772 286 L N -2.410 118.813 121.223 -0.001 0.000 2.607 286 L HA 0.122 4.460 4.340 -0.003 0.000 0.228 286 L C 0.817 177.716 176.870 0.049 0.000 1.123 286 L CA 0.232 55.018 54.840 -0.090 0.000 0.890 286 L CB -0.364 41.525 42.059 -0.283 0.000 1.103 286 L HN -0.273 nan 8.230 nan 0.000 0.468 287 S N 0.026 115.748 115.700 0.036 0.000 2.558 287 S HA 0.110 4.578 4.470 -0.003 0.000 0.293 287 S C 0.148 174.815 174.600 0.111 0.000 1.292 287 S CA -0.007 58.219 58.200 0.043 0.000 1.063 287 S CB 0.840 64.032 63.200 -0.013 0.000 0.831 287 S HN -0.043 nan 8.310 nan 0.000 0.499 288 V N 4.865 124.848 119.914 0.115 0.000 2.320 288 V HA 0.188 4.306 4.120 -0.003 0.000 0.268 288 V C 0.781 176.892 176.094 0.029 0.000 1.021 288 V CA -0.633 61.757 62.300 0.149 0.000 0.813 288 V CB 0.519 32.493 31.823 0.252 0.000 1.054 288 V HN 0.875 nan 8.190 nan 0.000 0.444 289 N N 3.012 121.708 118.700 -0.006 0.000 2.244 289 N HA 0.008 4.746 4.740 -0.003 0.000 0.183 289 N C -0.308 174.896 175.510 -0.510 0.000 1.016 289 N CA 1.242 54.158 53.050 -0.222 0.000 0.866 289 N CB 0.119 38.504 38.487 -0.170 0.000 0.980 289 N HN 0.521 nan 8.380 nan 0.000 0.430 290 F N 0.048 120.027 119.950 0.049 0.000 2.646 290 F HA 0.451 4.976 4.527 -0.003 0.000 0.364 290 F C 0.577 176.326 175.800 -0.086 0.000 1.137 290 F CA -0.923 57.114 58.000 0.060 0.000 1.085 290 F CB 1.504 40.603 39.000 0.167 0.000 1.331 290 F HN -0.170 nan 8.300 nan 0.000 0.472 291 G N 1.749 110.466 108.800 -0.139 0.000 3.175 291 G HA2 0.666 4.624 3.960 -0.003 0.000 0.255 291 G HA3 0.666 4.624 3.960 -0.003 0.000 0.255 291 G C -3.057 171.507 174.900 -0.560 0.000 1.352 291 G CA -2.248 42.433 45.100 -0.697 0.000 1.037 291 G HN 0.081 nan 8.290 nan 0.000 0.556 292 P HA 0.175 nan 4.420 nan 0.000 0.265 292 P C 0.071 177.289 177.300 -0.137 0.000 1.187 292 P CA 0.380 63.279 63.100 -0.334 0.000 0.766 292 P CB 0.742 32.164 31.700 -0.463 0.000 0.820 293 T N -1.522 113.020 114.554 -0.020 0.000 2.888 293 T HA 0.431 4.779 4.350 -0.003 0.000 0.288 293 T C -0.315 174.392 174.700 0.013 0.000 1.063 293 T CA -0.884 61.216 62.100 -0.000 0.000 1.010 293 T CB 0.591 69.485 68.868 0.043 0.000 1.214 293 T HN -0.038 nan 8.240 nan 0.000 0.533 294 V N 3.152 123.075 119.914 0.015 0.000 2.352 294 V HA 0.167 4.284 4.120 -0.003 0.000 0.253 294 V C 0.853 176.975 176.094 0.046 0.000 1.083 294 V CA -0.120 62.194 62.300 0.023 0.000 0.993 294 V CB -0.347 31.481 31.823 0.009 0.000 1.111 294 V HN 1.031 nan 8.190 nan 0.000 0.490 295 D N 2.913 123.358 120.400 0.074 0.000 2.350 295 D HA 0.092 4.730 4.640 -0.003 0.000 0.213 295 D C 1.508 177.861 176.300 0.088 0.000 1.031 295 D CA 0.691 54.748 54.000 0.094 0.000 0.861 295 D CB 0.381 41.269 40.800 0.146 0.000 0.926 295 D HN 0.685 nan 8.370 nan 0.000 0.520 296 G N 0.613 109.457 108.800 0.072 0.000 2.153 296 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.252 296 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.252 296 G C 0.338 175.289 174.900 0.085 0.000 0.994 296 G CA 0.749 45.884 45.100 0.058 0.000 0.698 296 G HN 0.539 nan 8.290 nan 0.000 0.521 297 D N -1.755 118.734 120.400 0.148 0.000 2.912 297 D HA 0.173 4.811 4.640 -0.003 0.000 0.170 297 D C 1.640 178.109 176.300 0.283 0.000 1.484 297 D CA 0.391 54.530 54.000 0.233 0.000 1.542 297 D CB -0.665 40.328 40.800 0.321 0.000 1.344 297 D HN 0.115 nan 8.370 nan 0.000 0.222 298 F N 0.852 120.909 119.950 0.179 0.000 2.171 298 F HA 0.155 4.680 4.527 -0.003 0.000 0.300 298 F C 0.459 176.185 175.800 -0.124 0.000 1.090 298 F CA 0.912 58.825 58.000 -0.146 0.000 1.293 298 F CB 0.349 39.015 39.000 -0.558 0.000 1.013 298 F HN -0.003 nan 8.300 nan 0.000 0.486 299 L N 0.683 121.978 121.223 0.120 0.000 2.377 299 L HA 0.250 4.588 4.340 -0.003 0.000 0.270 299 L C 0.984 177.858 176.870 0.006 0.000 0.991 299 L CA -0.050 54.802 54.840 0.021 0.000 0.851 299 L CB 1.105 43.212 42.059 0.080 0.000 1.218 299 L HN 0.149 nan 8.230 nan 0.000 0.420 300 T N -0.716 113.817 114.554 -0.036 0.000 3.113 300 T HA 0.181 4.529 4.350 -0.003 0.000 0.256 300 T C 0.423 175.110 174.700 -0.021 0.000 1.131 300 T CA 0.254 62.342 62.100 -0.021 0.000 1.074 300 T CB 0.066 68.913 68.868 -0.034 0.000 0.944 300 T HN 0.471 nan 8.240 nan 0.000 0.516 301 D N -0.537 119.844 120.400 -0.031 0.000 2.692 301 D HA 0.333 4.971 4.640 -0.003 0.000 0.290 301 D C -1.161 175.118 176.300 -0.034 0.000 1.281 301 D CA -0.876 53.109 54.000 -0.026 0.000 0.804 301 D CB 1.280 42.062 40.800 -0.029 0.000 1.331 301 D HN 0.075 nan 8.370 nan 0.000 0.432 302 M N 2.171 121.760 119.600 -0.019 0.000 2.238 302 M HA 0.181 4.659 4.480 -0.003 0.000 0.350 302 M C -1.382 174.893 176.300 -0.043 0.000 1.321 302 M CA -1.075 54.215 55.300 -0.018 0.000 1.097 302 M CB 0.870 33.477 32.600 0.012 0.000 1.713 302 M HN 0.213 nan 8.290 nan 0.000 0.455 303 P HA -0.182 nan 4.420 nan 0.000 0.221 303 P C 0.573 177.859 177.300 -0.024 0.000 1.150 303 P CA 1.276 64.194 63.100 -0.304 0.000 0.800 303 P CB -0.237 30.938 31.700 -0.876 0.000 0.787 304 D N 0.778 121.301 120.400 0.205 0.000 2.158 304 D HA -0.188 4.450 4.640 -0.003 0.000 0.197 304 D C 1.990 178.398 176.300 0.179 0.000 0.995 304 D CA 1.106 55.276 54.000 0.283 0.000 0.846 304 D CB -1.053 39.865 40.800 0.197 0.000 0.941 304 D HN 0.251 nan 8.370 nan 0.000 0.456 305 I N 0.518 121.148 120.570 0.099 0.000 2.233 305 I HA -0.206 3.962 4.170 -0.003 0.000 0.243 305 I C 2.768 178.922 176.117 0.062 0.000 1.093 305 I CA 0.561 61.903 61.300 0.071 0.000 1.380 305 I CB -0.269 37.753 38.000 0.036 0.000 1.067 305 I HN -0.064 nan 8.210 nan 0.000 0.413 306 L N 0.115 121.360 121.223 0.036 0.000 2.012 306 L HA -0.248 4.090 4.340 -0.003 0.000 0.210 306 L C 2.646 179.599 176.870 0.139 0.000 1.073 306 L CA 1.164 56.021 54.840 0.027 0.000 0.748 306 L CB -0.690 41.364 42.059 -0.007 0.000 0.891 306 L HN 0.287 nan 8.230 nan 0.000 0.431 307 L N 0.469 121.839 121.223 0.245 0.000 1.994 307 L HA -0.227 4.111 4.340 -0.003 0.000 0.208 307 L C 2.561 179.615 176.870 0.307 0.000 1.071 307 L CA 2.007 57.058 54.840 0.352 0.000 0.745 307 L CB -0.563 41.761 42.059 0.442 0.000 0.892 307 L HN 0.229 nan 8.230 nan 0.000 0.431 308 E N -0.318 120.027 120.200 0.240 0.000 2.118 308 E HA -0.201 4.147 4.350 -0.003 0.000 0.195 308 E C 1.681 178.456 176.600 0.292 0.000 0.992 308 E CA 1.752 58.302 56.400 0.250 0.000 0.804 308 E CB -0.304 29.503 29.700 0.178 0.000 0.741 308 E HN 0.591 nan 8.360 nan 0.000 0.458 309 L N -1.189 120.105 121.223 0.118 0.000 2.700 309 L HA 0.374 4.712 4.340 -0.003 0.000 0.234 309 L C 1.078 177.629 176.870 -0.531 0.000 1.156 309 L CA 0.139 54.990 54.840 0.017 0.000 0.946 309 L CB 0.291 42.345 42.059 -0.008 0.000 1.216 309 L HN 0.387 nan 8.230 nan 0.000 0.493 310 G N 0.054 108.348 108.800 -0.844 0.000 2.137 310 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.237 310 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.237 310 G C 0.148 174.020 174.900 -1.715 0.000 1.002 310 G CA -0.310 43.425 45.100 -2.275 0.000 0.702 310 G HN 0.315 nan 8.290 nan 0.000 0.515 311 Q N -0.203 119.090 119.800 -0.844 0.000 2.571 311 Q HA 0.609 4.947 4.340 -0.003 0.000 0.222 311 Q C -0.014 175.832 176.000 -0.257 0.000 1.167 311 Q CA -0.008 55.482 55.803 -0.523 0.000 0.966 311 Q CB -0.189 28.403 28.738 -0.244 0.000 1.274 311 Q HN 0.929 nan 8.270 nan 0.000 0.552 312 F N -2.025 117.809 119.950 -0.194 0.000 2.807 312 F HA 0.419 4.944 4.527 -0.003 0.000 0.316 312 F C -0.579 175.091 175.800 -0.216 0.000 1.162 312 F CA -1.650 56.311 58.000 -0.065 0.000 0.910 312 F CB 0.910 39.913 39.000 0.006 0.000 1.314 312 F HN -0.023 nan 8.300 nan 0.000 0.454 313 K N 1.804 122.122 120.400 -0.136 0.000 2.451 313 K HA 0.161 4.478 4.320 -0.003 0.000 0.280 313 K C -0.798 175.821 176.600 0.032 0.000 1.020 313 K CA -0.355 55.673 56.287 -0.432 0.000 1.008 313 K CB 0.530 32.580 32.500 -0.751 0.000 0.917 313 K HN 0.518 nan 8.250 nan 0.000 0.478 314 K N 3.178 123.539 120.400 -0.065 0.000 2.262 314 K HA 0.230 4.548 4.320 -0.003 0.000 0.282 314 K C -0.225 176.426 176.600 0.084 0.000 1.066 314 K CA -0.214 56.090 56.287 0.028 0.000 0.901 314 K CB 1.311 33.777 32.500 -0.057 0.000 1.089 314 K HN 0.838 nan 8.250 nan 0.000 0.476 315 T N 1.212 115.911 114.554 0.242 0.000 2.654 315 T HA 0.218 4.566 4.350 -0.003 0.000 0.303 315 T C -1.543 173.359 174.700 0.336 0.000 1.656 315 T CA -0.658 61.562 62.100 0.201 0.000 0.971 315 T CB 0.747 69.674 68.868 0.098 0.000 1.811 315 T HN 0.358 nan 8.240 nan 0.000 0.483 316 Q N 1.169 121.119 119.800 0.250 0.000 2.227 316 Q HA 0.762 5.100 4.340 -0.003 0.000 0.245 316 Q C -0.148 176.097 176.000 0.408 0.000 0.926 316 Q CA -0.479 55.526 55.803 0.337 0.000 0.895 316 Q CB 1.064 29.983 28.738 0.301 0.000 1.230 316 Q HN 0.668 nan 8.270 nan 0.000 0.450 317 I N -1.743 119.018 120.570 0.318 0.000 2.828 317 I HA 0.641 4.809 4.170 -0.003 0.000 0.302 317 I C -1.377 174.691 176.117 -0.081 0.000 1.101 317 I CA -1.356 60.014 61.300 0.116 0.000 1.031 317 I CB 1.820 39.674 38.000 -0.244 0.000 1.231 317 I HN 0.483 nan 8.210 nan 0.000 0.427 318 L N 5.497 126.434 121.223 -0.478 0.000 2.349 318 L HA 0.757 5.095 4.340 -0.003 0.000 0.278 318 L C -1.385 175.273 176.870 -0.354 0.000 0.996 318 L CA -0.633 53.827 54.840 -0.633 0.000 0.825 318 L CB 1.692 42.907 42.059 -1.407 0.000 1.243 318 L HN 0.569 nan 8.230 nan 0.000 0.412 319 V N 3.740 123.492 119.914 -0.271 0.000 2.735 319 V HA 0.954 5.072 4.120 -0.003 0.000 0.310 319 V C 0.192 175.678 176.094 -1.012 0.000 1.061 319 V CA -0.342 61.712 62.300 -0.410 0.000 0.913 319 V CB 1.699 33.380 31.823 -0.237 0.000 1.005 319 V HN 0.909 nan 8.190 nan 0.000 0.428 320 G N 1.484 109.544 108.800 -1.234 0.000 2.608 320 G HA2 0.813 4.771 3.960 -0.003 0.000 0.291 320 G HA3 0.813 4.771 3.960 -0.003 0.000 0.291 320 G C -1.414 172.859 174.900 -1.045 0.000 1.425 320 G CA 0.033 43.813 45.100 -2.201 0.000 0.787 320 G HN 1.412 nan 8.290 nan 0.000 0.484 321 V N -2.534 117.032 119.914 -0.579 0.000 3.206 321 V HA 0.797 4.915 4.120 -0.003 0.000 0.305 321 V C -1.269 174.953 176.094 0.213 0.000 1.257 321 V CA -1.516 60.794 62.300 0.015 0.000 1.057 321 V CB 1.888 33.838 31.823 0.212 0.000 1.075 321 V HN 0.631 nan 8.190 nan 0.000 0.443 322 N N 1.046 119.857 118.700 0.185 0.000 2.466 322 N HA 0.428 5.165 4.740 -0.003 0.000 0.294 322 N C 0.537 176.064 175.510 0.029 0.000 1.129 322 N CA -0.441 52.701 53.050 0.154 0.000 0.931 322 N CB 1.910 40.496 38.487 0.165 0.000 1.193 322 N HN 0.968 nan 8.380 nan 0.000 0.500 323 K N 0.180 120.475 120.400 -0.174 0.000 2.148 323 K HA -0.041 4.277 4.320 -0.003 0.000 0.204 323 K C -0.609 176.044 176.600 0.087 0.000 1.050 323 K CA 1.205 57.367 56.287 -0.208 0.000 0.942 323 K CB 0.252 32.572 32.500 -0.299 0.000 0.724 323 K HN 0.463 nan 8.250 nan 0.000 0.446 324 D N 1.425 121.866 120.400 0.068 0.000 2.943 324 D HA 0.033 4.671 4.640 -0.003 0.000 0.347 324 D C 0.224 176.573 176.300 0.082 0.000 1.305 324 D CA -0.097 53.959 54.000 0.093 0.000 0.870 324 D CB 1.145 41.975 40.800 0.051 0.000 1.081 324 D HN 0.166 nan 8.370 nan 0.000 0.492 325 E N 0.599 120.868 120.200 0.115 0.000 2.114 325 E HA -0.175 4.173 4.350 -0.003 0.000 0.199 325 E C 1.980 178.653 176.600 0.121 0.000 1.008 325 E CA 1.117 57.560 56.400 0.072 0.000 0.810 325 E CB -0.029 29.740 29.700 0.115 0.000 0.739 325 E HN 0.429 nan 8.360 nan 0.000 0.456 326 G N 0.858 109.758 108.800 0.166 0.000 2.464 326 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.217 326 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.217 326 G C 1.721 176.711 174.900 0.149 0.000 1.138 326 G CA 1.407 46.621 45.100 0.189 0.000 0.793 326 G HN 0.413 nan 8.290 nan 0.000 0.539 327 T N -0.008 114.580 114.554 0.057 0.000 2.720 327 T HA -0.050 4.298 4.350 -0.003 0.000 0.268 327 T C 2.579 177.197 174.700 -0.137 0.000 1.037 327 T CA 1.828 63.929 62.100 0.002 0.000 1.144 327 T CB -0.580 68.226 68.868 -0.103 0.000 0.864 327 T HN 0.352 nan 8.240 nan 0.000 0.444 328 A N 1.057 123.678 122.820 -0.332 0.000 1.986 328 A HA 0.034 4.352 4.320 -0.003 0.000 0.220 328 A C 1.965 179.317 177.584 -0.386 0.000 1.171 328 A CA 1.530 53.213 52.037 -0.589 0.000 0.640 328 A CB -1.174 17.319 19.000 -0.845 0.000 0.811 328 A HN 0.622 nan 8.150 nan 0.000 0.451 329 F N -0.540 119.404 119.950 -0.010 0.000 2.615 329 F HA 0.134 4.659 4.527 -0.004 0.000 0.297 329 F C 1.787 177.789 175.800 0.336 0.000 1.124 329 F CA 0.399 58.494 58.000 0.158 0.000 1.451 329 F CB -0.189 38.873 39.000 0.104 0.000 1.103 329 F HN 0.086 nan 8.300 nan 0.000 0.569 330 L N -0.066 121.314 121.223 0.263 0.000 2.313 330 L HA -0.058 4.280 4.340 -0.003 0.000 0.214 330 L C 2.085 179.083 176.870 0.213 0.000 1.119 330 L CA 0.581 55.460 54.840 0.065 0.000 0.809 330 L CB -0.549 41.206 42.059 -0.507 0.000 0.933 330 L HN 0.147 nan 8.230 nan 0.000 0.449 331 V N -5.164 114.951 119.914 0.334 0.000 3.646 331 V HA -0.055 4.063 4.120 -0.003 0.000 0.277 331 V C 0.784 176.985 176.094 0.178 0.000 1.274 331 V CA 0.341 62.843 62.300 0.337 0.000 1.164 331 V CB -1.132 30.902 31.823 0.352 0.000 0.926 331 V HN 0.270 nan 8.190 nan 0.000 0.442 332 Y N 1.567 122.031 120.300 0.273 0.000 2.756 332 Y HA 0.737 5.285 4.550 -0.003 0.000 0.300 332 Y C 1.560 177.506 175.900 0.077 0.000 1.113 332 Y CA 0.014 58.217 58.100 0.171 0.000 1.291 332 Y CB 0.759 39.306 38.460 0.145 0.000 1.175 332 Y HN 0.353 nan 8.280 nan 0.000 0.534 333 G N -0.931 107.983 108.800 0.189 0.000 3.468 333 G HA2 0.008 3.966 3.960 -0.003 0.000 0.219 333 G HA3 0.008 3.966 3.960 -0.003 0.000 0.219 333 G C 0.219 175.171 174.900 0.087 0.000 0.968 333 G CA -0.359 44.790 45.100 0.080 0.000 0.851 333 G HN 0.406 nan 8.290 nan 0.000 0.524 334 A N 1.894 124.816 122.820 0.169 0.000 2.524 334 A HA 0.589 4.907 4.320 -0.003 0.000 0.250 334 A C -1.964 175.849 177.584 0.381 0.000 1.078 334 A CA -0.371 51.833 52.037 0.279 0.000 0.761 334 A CB -0.260 18.901 19.000 0.269 0.000 1.012 334 A HN 0.142 nan 8.150 nan 0.000 0.500 335 P HA 0.302 nan 4.420 nan 0.000 0.268 335 P C 1.071 178.489 177.300 0.197 0.000 1.204 335 P CA 1.556 64.783 63.100 0.211 0.000 0.768 335 P CB 0.816 32.597 31.700 0.135 0.000 0.842 336 G N 1.360 110.208 108.800 0.080 0.000 2.179 336 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.260 336 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.260 336 G C -0.080 174.666 174.900 -0.257 0.000 0.977 336 G CA -0.455 44.585 45.100 -0.100 0.000 0.641 336 G HN 0.399 nan 8.290 nan 0.000 0.533 337 F N 1.159 121.112 119.950 0.006 0.000 2.399 337 F HA 0.725 5.250 4.527 -0.003 0.000 0.334 337 F C 0.718 176.583 175.800 0.108 0.000 1.097 337 F CA 0.165 58.167 58.000 0.004 0.000 1.076 337 F CB 2.195 41.260 39.000 0.110 0.000 1.162 337 F HN 0.223 nan 8.300 nan 0.000 0.495 338 S N 1.611 117.518 115.700 0.346 0.000 2.542 338 S HA 0.228 4.696 4.470 -0.003 0.000 0.276 338 S C 0.135 174.986 174.600 0.418 0.000 1.148 338 S CA -0.915 57.472 58.200 0.312 0.000 0.886 338 S CB 1.189 64.484 63.200 0.158 0.000 1.109 338 S HN 0.749 nan 8.310 nan 0.000 0.458 339 K N 1.572 122.132 120.400 0.267 0.000 2.362 339 K HA 0.050 4.368 4.320 -0.003 0.000 0.200 339 K C 0.014 176.681 176.600 0.111 0.000 1.046 339 K CA 1.324 57.715 56.287 0.174 0.000 0.952 339 K CB -0.157 32.222 32.500 -0.202 0.000 0.753 339 K HN 0.459 nan 8.250 nan 0.000 0.466 340 D N 0.975 121.421 120.400 0.078 0.000 2.368 340 D HA 0.049 4.687 4.640 -0.003 0.000 0.218 340 D C -0.454 175.886 176.300 0.066 0.000 1.112 340 D CA 0.111 54.127 54.000 0.026 0.000 0.834 340 D CB 0.124 40.911 40.800 -0.021 0.000 0.953 340 D HN 0.478 nan 8.370 nan 0.000 0.505 341 N N -0.633 118.142 118.700 0.124 0.000 3.106 341 N HA -0.009 4.729 4.740 -0.003 0.000 0.253 341 N C 0.075 175.634 175.510 0.081 0.000 1.506 341 N CA -0.663 52.431 53.050 0.074 0.000 0.876 341 N CB 0.122 38.609 38.487 0.001 0.000 1.452 341 N HN -0.287 nan 8.380 nan 0.000 0.542 342 N N -0.973 117.710 118.700 -0.027 0.000 2.461 342 N HA 0.005 4.743 4.740 -0.003 0.000 0.188 342 N C -0.700 174.494 175.510 -0.527 0.000 1.134 342 N CA 0.468 53.447 53.050 -0.117 0.000 0.878 342 N CB -0.469 38.005 38.487 -0.022 0.000 0.972 342 N HN 0.532 nan 8.380 nan 0.000 0.456 343 S N -0.395 114.983 115.700 -0.536 0.000 3.581 343 S HA -0.137 4.331 4.470 -0.003 0.000 0.354 343 S C -0.030 174.136 174.600 -0.724 0.000 1.059 343 S CA 0.128 57.867 58.200 -0.769 0.000 1.060 343 S CB -1.526 60.902 63.200 -1.287 0.000 0.908 343 S HN 0.420 nan 8.310 nan 0.000 0.475 344 I N 2.381 122.695 120.570 -0.426 0.000 2.664 344 I HA 0.132 4.300 4.170 -0.003 0.000 0.284 344 I C 0.809 176.750 176.117 -0.294 0.000 1.154 344 I CA 0.508 61.631 61.300 -0.295 0.000 1.402 344 I CB -0.713 37.182 38.000 -0.175 0.000 1.395 344 I HN 0.409 nan 8.210 nan 0.000 0.545 345 I N 3.600 124.011 120.570 -0.265 0.000 2.910 345 I HA 0.673 4.841 4.170 -0.003 0.000 0.310 345 I C 0.543 176.609 176.117 -0.086 0.000 1.043 345 I CA -0.758 60.415 61.300 -0.210 0.000 1.053 345 I CB 1.994 39.828 38.000 -0.276 0.000 1.242 345 I HN 0.525 nan 8.210 nan 0.000 0.452 346 T N -0.428 114.055 114.554 -0.119 0.000 2.881 346 T HA 0.343 4.691 4.350 -0.003 0.000 0.278 346 T C 0.995 175.412 174.700 -0.471 0.000 0.982 346 T CA -0.458 61.523 62.100 -0.198 0.000 0.989 346 T CB 1.553 70.343 68.868 -0.130 0.000 1.058 346 T HN 0.865 nan 8.240 nan 0.000 0.529 347 R N 0.480 120.475 120.500 -0.841 0.000 2.134 347 R HA -0.231 4.107 4.340 -0.003 0.000 0.248 347 R C 2.219 178.376 176.300 -0.238 0.000 1.143 347 R CA 2.206 57.757 56.100 -0.916 0.000 0.957 347 R CB -0.376 29.667 30.300 -0.428 0.000 0.867 347 R HN 0.701 nan 8.270 nan 0.000 0.441 348 K N 0.487 120.816 120.400 -0.119 0.000 2.097 348 K HA -0.109 4.209 4.320 -0.003 0.000 0.205 348 K C 1.705 178.332 176.600 0.045 0.000 1.050 348 K CA 1.836 58.121 56.287 -0.003 0.000 0.938 348 K CB 0.096 32.592 32.500 -0.007 0.000 0.718 348 K HN 0.328 nan 8.250 nan 0.000 0.442 349 E N -0.811 119.403 120.200 0.024 0.000 2.072 349 E HA -0.158 4.190 4.350 -0.003 0.000 0.191 349 E C 1.745 178.458 176.600 0.188 0.000 0.985 349 E CA 1.111 57.559 56.400 0.080 0.000 0.801 349 E CB -0.220 29.493 29.700 0.022 0.000 0.750 349 E HN 0.325 nan 8.360 nan 0.000 0.452 350 F N 2.126 122.099 119.950 0.038 0.000 2.095 350 F HA -0.270 4.255 4.527 -0.003 0.000 0.298 350 F C 2.246 178.145 175.800 0.164 0.000 1.104 350 F CA 1.719 59.817 58.000 0.164 0.000 1.232 350 F CB 0.010 39.126 39.000 0.193 0.000 0.987 350 F HN -0.057 nan 8.300 nan 0.000 0.475 351 Q N -0.072 119.930 119.800 0.338 0.000 2.096 351 Q HA -0.211 4.127 4.340 -0.003 0.000 0.204 351 Q C 2.070 178.138 176.000 0.114 0.000 0.982 351 Q CA 1.730 57.663 55.803 0.217 0.000 0.850 351 Q CB -0.304 28.555 28.738 0.202 0.000 0.901 351 Q HN 0.437 nan 8.270 nan 0.000 0.422 352 E N 0.016 120.281 120.200 0.107 0.000 2.150 352 E HA -0.120 4.228 4.350 -0.003 0.000 0.193 352 E C 2.090 178.748 176.600 0.097 0.000 0.985 352 E CA 1.114 57.568 56.400 0.090 0.000 0.814 352 E CB -0.411 29.340 29.700 0.084 0.000 0.752 352 E HN 0.493 nan 8.360 nan 0.000 0.466 353 G N 1.553 110.419 108.800 0.111 0.000 2.440 353 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.218 353 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.218 353 G C 1.732 176.736 174.900 0.173 0.000 1.154 353 G CA 0.578 45.769 45.100 0.152 0.000 0.767 353 G HN 0.187 nan 8.290 nan 0.000 0.552 354 L N -0.226 121.026 121.223 0.048 0.000 2.093 354 L HA -0.005 4.333 4.340 -0.003 0.000 0.208 354 L C 2.916 179.950 176.870 0.273 0.000 1.085 354 L CA 0.937 55.899 54.840 0.203 0.000 0.755 354 L CB -0.308 41.799 42.059 0.080 0.000 0.904 354 L HN 0.153 nan 8.230 nan 0.000 0.435 355 K N 0.081 120.566 120.400 0.141 0.000 2.152 355 K HA -0.183 4.135 4.320 -0.003 0.000 0.206 355 K C 2.039 178.639 176.600 -0.000 0.000 1.048 355 K CA 1.142 57.479 56.287 0.083 0.000 0.933 355 K CB 0.046 32.579 32.500 0.055 0.000 0.721 355 K HN 0.186 nan 8.250 nan 0.000 0.447 356 I N -0.012 120.545 120.570 -0.022 0.000 2.286 356 I HA -0.186 3.982 4.170 -0.003 0.000 0.245 356 I C 1.872 177.739 176.117 -0.416 0.000 1.104 356 I CA 1.354 62.525 61.300 -0.216 0.000 1.397 356 I CB -0.878 36.962 38.000 -0.267 0.000 1.072 356 I HN 0.021 nan 8.210 nan 0.000 0.417 357 F N -0.680 119.162 119.950 -0.181 0.000 2.615 357 F HA 0.010 4.535 4.527 -0.003 0.000 0.297 357 F C 0.792 176.118 175.800 -0.790 0.000 1.124 357 F CA 0.482 58.199 58.000 -0.471 0.000 1.451 357 F CB -0.146 38.511 39.000 -0.572 0.000 1.103 357 F HN -0.135 nan 8.300 nan 0.000 0.569 358 F N -0.507 119.475 119.950 0.052 0.000 2.564 358 F HA 0.358 4.883 4.527 -0.003 0.000 0.329 358 F C -1.829 173.918 175.800 -0.089 0.000 1.458 358 F CA -2.437 55.581 58.000 0.029 0.000 1.117 358 F CB -0.035 39.019 39.000 0.091 0.000 1.383 358 F HN -0.220 nan 8.300 nan 0.000 0.571 359 P HA -0.158 nan 4.420 nan 0.000 0.217 359 P C 0.916 177.942 177.300 -0.457 0.000 1.162 359 P CA 1.850 64.573 63.100 -0.627 0.000 0.901 359 P CB 0.297 31.165 31.700 -1.387 0.000 0.793 360 G N -2.344 106.341 108.800 -0.192 0.000 4.101 360 G HA2 0.342 4.299 3.960 -0.003 0.000 0.262 360 G HA3 0.342 4.299 3.960 -0.003 0.000 0.262 360 G C -0.838 174.128 174.900 0.110 0.000 1.181 360 G CA -0.481 44.646 45.100 0.044 0.000 0.640 360 G HN 0.012 nan 8.290 nan 0.000 0.467 361 V N 0.176 120.161 119.914 0.119 0.000 5.849 361 V HA -0.263 3.855 4.120 -0.003 0.000 0.215 361 V C 1.376 177.540 176.094 0.117 0.000 0.710 361 V CA 0.641 63.023 62.300 0.138 0.000 0.745 361 V CB -2.580 29.395 31.823 0.253 0.000 0.802 361 V HN 1.592 nan 8.190 nan 0.000 0.412 362 S N 1.844 117.608 115.700 0.106 0.000 2.560 362 S HA 0.054 4.522 4.470 -0.003 0.000 0.276 362 S C 1.168 175.851 174.600 0.140 0.000 1.350 362 S CA 0.493 58.768 58.200 0.125 0.000 1.024 362 S CB 1.114 64.405 63.200 0.152 0.000 0.864 362 S HN 0.775 nan 8.310 nan 0.000 0.536 363 E N 0.648 120.932 120.200 0.141 0.000 2.086 363 E HA -0.244 4.104 4.350 -0.003 0.000 0.205 363 E C 1.559 178.261 176.600 0.170 0.000 1.027 363 E CA 2.037 58.523 56.400 0.143 0.000 0.830 363 E CB -0.252 29.530 29.700 0.137 0.000 0.751 363 E HN 0.868 nan 8.360 nan 0.000 0.456 364 F N 0.606 120.605 119.950 0.083 0.000 2.134 364 F HA -0.115 4.410 4.527 -0.003 0.000 0.299 364 F C 2.132 178.025 175.800 0.155 0.000 1.097 364 F CA 1.878 59.937 58.000 0.098 0.000 1.264 364 F CB -0.563 38.483 39.000 0.077 0.000 1.001 364 F HN 0.009 nan 8.300 nan 0.000 0.479 365 G N 0.627 109.428 108.800 0.002 0.000 2.446 365 G HA2 -0.293 3.665 3.960 -0.003 0.000 0.217 365 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.217 365 G C 1.698 176.641 174.900 0.071 0.000 1.168 365 G CA 1.073 46.188 45.100 0.026 0.000 0.771 365 G HN 0.372 nan 8.290 nan 0.000 0.551 366 K N 0.150 120.582 120.400 0.052 0.000 2.057 366 K HA -0.027 4.291 4.320 -0.003 0.000 0.206 366 K C 2.360 178.979 176.600 0.031 0.000 1.050 366 K CA 1.014 57.317 56.287 0.028 0.000 0.935 366 K CB -0.145 32.401 32.500 0.077 0.000 0.715 366 K HN 0.233 nan 8.250 nan 0.000 0.439 367 E N 0.761 120.970 120.200 0.014 0.000 2.204 367 E HA -0.146 4.202 4.350 -0.003 0.000 0.195 367 E C 2.150 178.742 176.600 -0.013 0.000 0.990 367 E CA 1.451 57.867 56.400 0.027 0.000 0.821 367 E CB 0.061 29.784 29.700 0.038 0.000 0.750 367 E HN 0.320 nan 8.360 nan 0.000 0.477 368 S N 0.297 115.920 115.700 -0.129 0.000 2.395 368 S HA -0.036 4.432 4.470 -0.003 0.000 0.225 368 S C 2.125 176.703 174.600 -0.037 0.000 1.027 368 S CA 0.262 58.401 58.200 -0.102 0.000 0.965 368 S CB -0.374 62.675 63.200 -0.251 0.000 0.812 368 S HN 0.146 nan 8.310 nan 0.000 0.482 369 I N 1.659 122.213 120.570 -0.027 0.000 2.142 369 I HA -0.155 4.013 4.170 -0.003 0.000 0.240 369 I C 2.622 178.737 176.117 -0.002 0.000 1.078 369 I CA 1.511 62.685 61.300 -0.210 0.000 1.343 369 I CB -0.488 37.393 38.000 -0.199 0.000 1.046 369 I HN 0.323 nan 8.210 nan 0.000 0.405 370 L N 0.240 121.542 121.223 0.133 0.000 2.013 370 L HA -0.298 4.040 4.340 -0.003 0.000 0.212 370 L C 2.601 179.473 176.870 0.004 0.000 1.073 370 L CA 1.822 56.792 54.840 0.215 0.000 0.753 370 L CB -0.370 41.838 42.059 0.248 0.000 0.890 370 L HN 0.161 nan 8.230 nan 0.000 0.432 371 F N -0.217 119.641 119.950 -0.154 0.000 2.134 371 F HA -0.283 4.242 4.527 -0.003 0.000 0.299 371 F C 2.440 178.043 175.800 -0.329 0.000 1.097 371 F CA 2.046 59.907 58.000 -0.232 0.000 1.264 371 F CB -0.234 38.652 39.000 -0.190 0.000 1.001 371 F HN 0.252 nan 8.300 nan 0.000 0.479 372 H N -1.916 116.908 119.070 -0.410 0.000 2.423 372 H HA -0.120 4.434 4.556 -0.003 0.000 0.297 372 H C 1.124 176.037 175.328 -0.691 0.000 1.075 372 H CA 2.078 57.719 56.048 -0.679 0.000 1.342 372 H CB -0.162 28.911 29.762 -1.149 0.000 1.395 372 H HN 0.392 nan 8.280 nan 0.000 0.530 373 Y N -0.908 119.123 120.300 -0.447 0.000 2.467 373 Y HA 0.120 4.668 4.550 -0.003 0.000 0.250 373 Y C 1.225 176.759 175.900 -0.610 0.000 1.155 373 Y CA 0.614 58.510 58.100 -0.341 0.000 1.249 373 Y CB 0.878 39.334 38.460 -0.007 0.000 1.146 373 Y HN 0.280 nan 8.280 nan 0.000 0.524 374 T N -3.617 110.445 114.554 -0.820 0.000 3.296 374 T HA 0.116 4.464 4.350 -0.003 0.000 0.285 374 T C -0.192 173.490 174.700 -1.697 0.000 1.014 374 T CA -0.411 60.677 62.100 -1.687 0.000 0.920 374 T CB -0.106 68.059 68.868 -1.171 0.000 1.143 374 T HN 0.024 nan 8.240 nan 0.000 0.522 375 D N 1.793 121.499 120.400 -1.156 0.000 2.441 375 D HA 0.149 4.787 4.640 -0.003 0.000 0.221 375 D C -0.668 175.316 176.300 -0.527 0.000 1.156 375 D CA -0.523 52.955 54.000 -0.869 0.000 0.896 375 D CB 0.426 40.786 40.800 -0.734 0.000 1.028 375 D HN 0.510 nan 8.370 nan 0.000 0.509 376 W N 2.967 124.107 121.300 -0.266 0.000 2.266 376 W HA 0.255 4.913 4.660 -0.003 0.000 0.317 376 W C 0.482 176.904 176.519 -0.162 0.000 1.310 376 W CA -1.112 56.102 57.345 -0.217 0.000 1.207 376 W CB 1.088 30.418 29.460 -0.217 0.000 1.199 376 W HN 0.059 nan 8.180 nan 0.000 0.544 377 V N 5.380 125.378 119.914 0.139 0.000 2.250 377 V HA 0.121 4.239 4.120 -0.003 0.000 0.268 377 V C -0.530 175.580 176.094 0.027 0.000 1.043 377 V CA -0.027 62.301 62.300 0.046 0.000 0.814 377 V CB 0.184 32.011 31.823 0.006 0.000 1.072 377 V HN 0.622 nan 8.190 nan 0.000 0.451 378 D N 2.420 122.824 120.400 0.008 0.000 2.929 378 D HA 0.389 5.027 4.640 -0.003 0.000 0.246 378 D C 0.763 177.022 176.300 -0.068 0.000 1.237 378 D CA 0.703 54.723 54.000 0.032 0.000 1.171 378 D CB 0.939 41.751 40.800 0.020 0.000 0.933 378 D HN 0.613 nan 8.370 nan 0.000 0.216 379 D N -1.608 118.722 120.400 -0.117 0.000 1.943 379 D HA -0.001 4.637 4.640 -0.003 0.000 0.555 379 D C -0.399 175.864 176.300 -0.063 0.000 0.861 379 D CA -0.045 53.911 54.000 -0.073 0.000 1.048 379 D CB 0.682 41.433 40.800 -0.082 0.000 1.518 379 D HN 0.028 nan 8.370 nan 0.000 0.494 380 Q N 1.812 121.560 119.800 -0.085 0.000 2.303 380 Q HA 0.356 4.694 4.340 -0.003 0.000 0.257 380 Q C -0.482 175.401 176.000 -0.195 0.000 0.941 380 Q CA 0.037 55.738 55.803 -0.170 0.000 0.931 380 Q CB 1.146 29.797 28.738 -0.145 0.000 1.215 380 Q HN -0.045 nan 8.270 nan 0.000 0.437 381 R N 4.672 125.013 120.500 -0.264 0.000 2.421 381 R HA 0.066 4.404 4.340 -0.003 0.000 0.305 381 R C -1.536 174.601 176.300 -0.272 0.000 1.039 381 R CA -1.280 54.679 56.100 -0.235 0.000 1.003 381 R CB 0.288 30.447 30.300 -0.234 0.000 0.959 381 R HN 0.488 nan 8.270 nan 0.000 0.427 382 P HA -0.173 nan 4.420 nan 0.000 0.225 382 P C 0.552 177.766 177.300 -0.143 0.000 1.148 382 P CA 1.009 64.026 63.100 -0.138 0.000 0.779 382 P CB 0.249 31.893 31.700 -0.093 0.000 0.780 383 E N -1.137 118.970 120.200 -0.156 0.000 2.478 383 E HA -0.047 4.301 4.350 -0.003 0.000 0.194 383 E C 1.156 177.659 176.600 -0.162 0.000 1.045 383 E CA 0.209 56.539 56.400 -0.118 0.000 0.868 383 E CB -1.075 28.593 29.700 -0.053 0.000 0.885 383 E HN 0.140 nan 8.360 nan 0.000 0.505 384 N N 1.308 119.770 118.700 -0.397 0.000 2.049 384 N HA -0.219 4.519 4.740 -0.003 0.000 0.198 384 N C 1.464 176.686 175.510 -0.479 0.000 1.030 384 N CA 1.700 54.269 53.050 -0.802 0.000 0.870 384 N CB -0.596 36.725 38.487 -1.944 0.000 1.045 384 N HN 0.342 nan 8.380 nan 0.000 0.434 385 Y N 0.736 120.928 120.300 -0.180 0.000 2.286 385 Y HA 0.090 4.638 4.550 -0.003 0.000 0.293 385 Y C 2.575 178.665 175.900 0.316 0.000 1.124 385 Y CA 0.593 58.784 58.100 0.151 0.000 1.178 385 Y CB -0.248 38.306 38.460 0.156 0.000 1.010 385 Y HN 0.025 nan 8.280 nan 0.000 0.536 386 R N 0.912 121.580 120.500 0.279 0.000 2.083 386 R HA -0.184 4.154 4.340 -0.003 0.000 0.237 386 R C 1.782 178.313 176.300 0.385 0.000 1.137 386 R CA 2.033 58.294 56.100 0.269 0.000 0.951 386 R CB -0.092 30.178 30.300 -0.048 0.000 0.851 386 R HN 0.369 nan 8.270 nan 0.000 0.434 387 E N 0.084 120.444 120.200 0.266 0.000 2.072 387 E HA -0.137 4.211 4.350 -0.003 0.000 0.190 387 E C 1.989 178.793 176.600 0.340 0.000 0.982 387 E CA 1.040 57.608 56.400 0.279 0.000 0.803 387 E CB -0.179 29.632 29.700 0.186 0.000 0.755 387 E HN 0.462 nan 8.360 nan 0.000 0.453 388 A N 1.684 124.745 122.820 0.402 0.000 1.902 388 A HA -0.158 4.160 4.320 -0.003 0.000 0.217 388 A C 2.236 180.127 177.584 0.511 0.000 1.181 388 A CA 1.158 53.502 52.037 0.511 0.000 0.623 388 A CB -0.523 18.811 19.000 0.557 0.000 0.818 388 A HN 0.205 nan 8.150 nan 0.000 0.443 389 L N -0.178 121.395 121.223 0.583 0.000 2.156 389 L HA 0.092 4.430 4.340 -0.003 0.000 0.208 389 L C 2.357 179.243 176.870 0.027 0.000 1.095 389 L CA 1.922 56.905 54.840 0.240 0.000 0.770 389 L CB -0.855 41.305 42.059 0.168 0.000 0.914 389 L HN 0.292 nan 8.230 nan 0.000 0.439 390 G N -1.057 107.832 108.800 0.148 0.000 2.418 390 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.217 390 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.217 390 G C 1.277 176.240 174.900 0.105 0.000 1.158 390 G CA 0.824 45.988 45.100 0.107 0.000 0.771 390 G HN 0.383 nan 8.290 nan 0.000 0.545 391 D N 0.309 120.815 120.400 0.177 0.000 2.097 391 D HA -0.094 4.544 4.640 -0.003 0.000 0.195 391 D C 2.813 179.136 176.300 0.037 0.000 0.989 391 D CA 0.778 54.902 54.000 0.207 0.000 0.827 391 D CB -0.532 40.504 40.800 0.393 0.000 0.966 391 D HN 0.160 nan 8.370 nan 0.000 0.456 392 V N 0.957 120.715 119.914 -0.261 0.000 2.250 392 V HA -0.257 3.861 4.120 -0.003 0.000 0.250 392 V C 2.689 178.687 176.094 -0.160 0.000 1.060 392 V CA 1.385 63.460 62.300 -0.376 0.000 1.030 392 V CB -0.547 31.100 31.823 -0.293 0.000 0.643 392 V HN 0.064 nan 8.190 nan 0.000 0.445 393 V N 0.392 120.192 119.914 -0.190 0.000 2.379 393 V HA -0.105 4.013 4.120 -0.003 0.000 0.245 393 V C 2.530 178.553 176.094 -0.118 0.000 1.044 393 V CA 2.044 64.183 62.300 -0.269 0.000 1.036 393 V CB -1.126 30.379 31.823 -0.530 0.000 0.664 393 V HN 0.623 nan 8.190 nan 0.000 0.453 394 G N -0.593 108.221 108.800 0.023 0.000 2.403 394 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.216 394 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.216 394 G C 1.211 176.202 174.900 0.152 0.000 1.154 394 G CA 0.752 45.968 45.100 0.192 0.000 0.784 394 G HN 0.482 nan 8.290 nan 0.000 0.538 395 D N -0.380 120.077 120.400 0.094 0.000 2.097 395 D HA -0.104 4.534 4.640 -0.003 0.000 0.197 395 D C 1.945 178.085 176.300 -0.267 0.000 0.984 395 D CA 0.732 54.785 54.000 0.089 0.000 0.826 395 D CB -0.356 40.682 40.800 0.396 0.000 0.973 395 D HN 0.324 nan 8.370 nan 0.000 0.460 396 Y N 1.954 121.718 120.300 -0.893 0.000 2.163 396 Y HA -0.105 4.443 4.550 -0.003 0.000 0.288 396 Y C 1.756 177.306 175.900 -0.583 0.000 1.136 396 Y CA 1.464 58.846 58.100 -1.196 0.000 1.147 396 Y CB -0.279 37.237 38.460 -1.574 0.000 0.987 396 Y HN -0.082 nan 8.280 nan 0.000 0.509 397 N N -1.328 117.002 118.700 -0.617 0.000 2.416 397 N HA -0.034 4.704 4.740 -0.003 0.000 0.177 397 N C 0.888 175.865 175.510 -0.888 0.000 1.036 397 N CA 1.278 53.817 53.050 -0.852 0.000 0.901 397 N CB 0.028 37.938 38.487 -0.961 0.000 0.976 397 N HN 0.388 nan 8.380 nan 0.000 0.444 398 F N -0.386 119.520 119.950 -0.075 0.000 2.421 398 F HA 0.347 4.872 4.527 -0.004 0.000 0.270 398 F C 1.999 177.821 175.800 0.035 0.000 0.894 398 F CA -0.358 57.663 58.000 0.035 0.000 1.128 398 F CB 0.159 39.217 39.000 0.097 0.000 1.011 398 F HN -0.197 nan 8.300 nan 0.000 0.788 399 I N -0.261 120.451 120.570 0.236 0.000 2.296 399 I HA -0.213 3.955 4.170 -0.003 0.000 0.242 399 I C 2.064 178.269 176.117 0.147 0.000 1.087 399 I CA 1.010 62.452 61.300 0.236 0.000 1.393 399 I CB -0.430 37.724 38.000 0.257 0.000 1.093 399 I HN 0.261 nan 8.210 nan 0.000 0.421 400 c N 1.372 120.038 118.600 0.110 0.000 2.413 400 c HA -0.080 4.488 4.570 -0.003 0.000 0.276 400 c C 0.259 174.373 174.090 0.040 0.000 1.236 400 c CA 0.859 57.251 56.329 0.105 0.000 1.735 400 c CB -2.200 40.432 42.510 0.204 0.000 2.031 400 c HN 0.362 nan 8.230 nan 0.000 0.474 401 P HA -0.083 nan 4.420 nan 0.000 0.216 401 P C 1.544 178.820 177.300 -0.041 0.000 1.150 401 P CA 2.470 65.504 63.100 -0.110 0.000 0.837 401 P CB -0.178 31.354 31.700 -0.280 0.000 0.786 402 A N -0.748 122.093 122.820 0.035 0.000 1.897 402 A HA -0.115 4.202 4.320 -0.003 0.000 0.215 402 A C 2.227 179.923 177.584 0.188 0.000 1.181 402 A CA 1.180 53.291 52.037 0.123 0.000 0.620 402 A CB -1.550 17.570 19.000 0.202 0.000 0.821 402 A HN 0.099 nan 8.150 nan 0.000 0.443 403 L N -0.929 120.334 121.223 0.067 0.000 2.046 403 L HA -0.192 4.146 4.340 -0.003 0.000 0.208 403 L C 2.690 179.530 176.870 -0.049 0.000 1.077 403 L CA 1.781 56.523 54.840 -0.162 0.000 0.747 403 L CB -0.404 41.548 42.059 -0.178 0.000 0.896 403 L HN 0.418 nan 8.230 nan 0.000 0.432 404 E N 0.107 120.321 120.200 0.023 0.000 2.072 404 E HA -0.254 4.094 4.350 -0.003 0.000 0.191 404 E C 1.936 178.556 176.600 0.032 0.000 0.985 404 E CA 1.240 57.665 56.400 0.041 0.000 0.801 404 E CB -0.285 29.439 29.700 0.039 0.000 0.750 404 E HN 0.337 nan 8.360 nan 0.000 0.452 405 F N 0.565 120.452 119.950 -0.104 0.000 2.095 405 F HA -0.212 4.313 4.527 -0.004 0.000 0.298 405 F C 2.136 177.908 175.800 -0.046 0.000 1.104 405 F CA 2.055 59.983 58.000 -0.120 0.000 1.232 405 F CB -0.633 38.235 39.000 -0.220 0.000 0.987 405 F HN -0.003 nan 8.300 nan 0.000 0.475 406 T N 0.328 114.885 114.554 0.005 0.000 2.777 406 T HA -0.200 4.148 4.350 -0.003 0.000 0.266 406 T C 1.942 176.569 174.700 -0.121 0.000 1.040 406 T CA 1.647 63.662 62.100 -0.142 0.000 1.141 406 T CB -0.281 68.388 68.868 -0.332 0.000 0.868 406 T HN 0.277 nan 8.240 nan 0.000 0.444 407 K N 0.956 121.347 120.400 -0.015 0.000 2.025 407 K HA -0.075 4.243 4.320 -0.003 0.000 0.207 407 K C 2.185 178.864 176.600 0.131 0.000 1.049 407 K CA 0.990 57.403 56.287 0.210 0.000 0.933 407 K CB 0.057 32.706 32.500 0.248 0.000 0.714 407 K HN -0.029 nan 8.250 nan 0.000 0.438 408 K N 0.228 120.660 120.400 0.053 0.000 2.097 408 K HA -0.163 4.154 4.320 -0.003 0.000 0.206 408 K C 2.005 178.690 176.600 0.141 0.000 1.049 408 K CA 1.292 57.637 56.287 0.096 0.000 0.933 408 K CB -0.445 32.096 32.500 0.068 0.000 0.717 408 K HN 0.243 nan 8.250 nan 0.000 0.442 409 F N 2.158 121.950 119.950 -0.264 0.000 2.163 409 F HA -0.208 4.316 4.527 -0.004 0.000 0.297 409 F C 2.491 178.359 175.800 0.113 0.000 1.094 409 F CA 1.665 59.485 58.000 -0.300 0.000 1.290 409 F CB -0.192 38.363 39.000 -0.740 0.000 1.017 409 F HN 0.076 nan 8.300 nan 0.000 0.483 410 S N -0.645 115.249 115.700 0.322 0.000 2.447 410 S HA -0.199 4.269 4.470 -0.003 0.000 0.233 410 S C 1.662 176.364 174.600 0.168 0.000 1.006 410 S CA 1.269 59.636 58.200 0.279 0.000 0.957 410 S CB -0.725 62.649 63.200 0.289 0.000 0.773 410 S HN 0.584 nan 8.310 nan 0.000 0.507 411 E N -0.278 120.001 120.200 0.133 0.000 2.409 411 E HA -0.039 4.309 4.350 -0.003 0.000 0.198 411 E C 0.224 176.669 176.600 -0.257 0.000 1.024 411 E CA 0.681 57.040 56.400 -0.069 0.000 0.861 411 E CB -0.097 29.533 29.700 -0.117 0.000 0.788 411 E HN 0.798 nan 8.360 nan 0.000 0.521 412 W N -0.441 120.864 121.300 0.009 0.000 3.325 412 W HA 0.278 4.936 4.660 -0.003 0.000 0.370 412 W C 1.266 177.755 176.519 -0.051 0.000 1.169 412 W CA 0.443 57.757 57.345 -0.052 0.000 1.874 412 W CB 0.923 30.305 29.460 -0.129 0.000 1.076 412 W HN 0.119 nan 8.180 nan 0.000 0.684 413 G N -0.086 108.775 108.800 0.102 0.000 2.278 413 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.210 413 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.210 413 G C 0.203 175.163 174.900 0.100 0.000 1.000 413 G CA -0.522 44.621 45.100 0.072 0.000 0.635 413 G HN 0.253 nan 8.290 nan 0.000 0.495 414 N N 1.331 120.122 118.700 0.152 0.000 2.530 414 N HA 0.468 5.206 4.740 -0.003 0.000 0.277 414 N C -0.157 175.459 175.510 0.176 0.000 1.168 414 N CA -0.534 52.632 53.050 0.192 0.000 0.979 414 N CB 0.341 39.018 38.487 0.316 0.000 1.141 414 N HN 0.194 nan 8.380 nan 0.000 0.459 415 N N 0.883 119.659 118.700 0.126 0.000 2.454 415 N HA 0.250 4.988 4.740 -0.003 0.000 0.260 415 N C -0.973 174.520 175.510 -0.029 0.000 1.218 415 N CA 0.142 53.188 53.050 -0.006 0.000 0.904 415 N CB 0.484 38.993 38.487 0.036 0.000 1.065 415 N HN 0.552 nan 8.380 nan 0.000 0.462 416 A N 2.115 124.787 122.820 -0.246 0.000 2.435 416 A HA 0.800 5.118 4.320 -0.003 0.000 0.304 416 A C -1.348 175.914 177.584 -0.537 0.000 1.064 416 A CA -0.617 51.303 52.037 -0.195 0.000 0.727 416 A CB 0.892 19.904 19.000 0.021 0.000 1.284 416 A HN 0.476 nan 8.150 nan 0.000 0.415 417 F N 0.413 120.334 119.950 -0.049 0.000 2.540 417 F HA 0.648 5.173 4.527 -0.004 0.000 0.317 417 F C -0.692 175.204 175.800 0.159 0.000 1.104 417 F CA -0.445 57.475 58.000 -0.132 0.000 0.913 417 F CB 2.158 40.577 39.000 -0.968 0.000 1.170 417 F HN 0.535 nan 8.300 nan 0.000 0.450 418 F N 4.165 124.515 119.950 0.667 0.000 2.507 418 F HA 0.573 5.098 4.527 -0.003 0.000 0.325 418 F C -1.030 175.295 175.800 0.876 0.000 1.116 418 F CA -1.219 57.103 58.000 0.538 0.000 0.930 418 F CB 1.073 40.236 39.000 0.271 0.000 1.146 418 F HN 0.436 nan 8.300 nan 0.000 0.447 419 Y N 3.828 124.327 120.300 0.331 0.000 2.549 419 Y HA 0.645 5.193 4.550 -0.004 0.000 0.339 419 Y C -2.015 174.135 175.900 0.417 0.000 1.053 419 Y CA -1.752 56.573 58.100 0.375 0.000 1.105 419 Y CB 0.932 39.544 38.460 0.254 0.000 1.258 419 Y HN 0.557 nan 8.280 nan 0.000 0.478 420 Y N 3.911 124.553 120.300 0.570 0.000 2.388 420 Y HA 0.401 4.949 4.550 -0.003 0.000 0.328 420 Y C -1.669 174.516 175.900 0.475 0.000 0.963 420 Y CA -2.585 55.788 58.100 0.456 0.000 1.240 420 Y CB 0.578 39.322 38.460 0.474 0.000 1.118 420 Y HN 0.737 nan 8.280 nan 0.000 0.484 421 F N 6.864 126.940 119.950 0.210 0.000 2.445 421 F HA 0.265 4.790 4.527 -0.003 0.000 0.359 421 F C 0.613 176.290 175.800 -0.204 0.000 1.101 421 F CA -0.055 57.970 58.000 0.041 0.000 1.177 421 F CB 0.626 39.698 39.000 0.121 0.000 1.110 421 F HN 0.669 nan 8.300 nan 0.000 0.522 422 E N 3.744 123.535 120.200 -0.682 0.000 3.105 422 E HA 0.088 4.436 4.350 -0.003 0.000 0.198 422 E C -1.071 175.234 176.600 -0.492 0.000 0.976 422 E CA -0.498 55.605 56.400 -0.495 0.000 1.219 422 E CB -0.135 29.378 29.700 -0.311 0.000 1.081 422 E HN 0.652 nan 8.360 nan 0.000 0.464 423 H N 1.311 119.786 119.070 -0.990 0.000 2.511 423 H HA 0.357 4.911 4.556 -0.003 0.000 0.328 423 H C -0.928 174.177 175.328 -0.371 0.000 1.044 423 H CA -0.725 54.911 56.048 -0.688 0.000 1.212 423 H CB 1.194 30.435 29.762 -0.869 0.000 1.428 423 H HN 0.069 nan 8.280 nan 0.000 0.483 424 R N 4.460 124.456 120.500 -0.840 0.000 2.202 424 R HA 0.217 4.555 4.340 -0.003 0.000 0.334 424 R C -0.378 175.580 176.300 -0.569 0.000 1.036 424 R CA -0.379 55.419 56.100 -0.503 0.000 0.878 424 R CB 0.451 30.585 30.300 -0.277 0.000 1.067 424 R HN 0.715 nan 8.270 nan 0.000 0.457 425 S N 2.488 118.124 115.700 -0.107 0.000 2.593 425 S HA -0.091 4.377 4.470 -0.003 0.000 0.300 425 S C 1.375 176.047 174.600 0.120 0.000 1.267 425 S CA 0.374 58.732 58.200 0.264 0.000 1.065 425 S CB 0.593 64.071 63.200 0.462 0.000 0.807 425 S HN 0.795 nan 8.310 nan 0.000 0.499 426 S N 4.015 119.842 115.700 0.213 0.000 2.474 426 S HA 0.001 4.469 4.470 -0.003 0.000 0.235 426 S C 1.130 175.734 174.600 0.006 0.000 0.997 426 S CA 0.662 58.918 58.200 0.093 0.000 0.949 426 S CB -0.221 63.052 63.200 0.123 0.000 0.766 426 S HN 0.828 nan 8.310 nan 0.000 0.517 427 K N 0.553 120.941 120.400 -0.020 0.000 2.358 427 K HA 0.353 4.671 4.320 -0.003 0.000 0.197 427 K C 0.064 176.630 176.600 -0.055 0.000 1.025 427 K CA -0.310 55.914 56.287 -0.105 0.000 1.104 427 K CB 0.082 32.417 32.500 -0.275 0.000 0.855 427 K HN 0.333 nan 8.250 nan 0.000 0.531 428 L N 3.733 124.944 121.223 -0.021 0.000 2.667 428 L HA -0.046 4.292 4.340 -0.003 0.000 0.278 428 L C -1.298 175.532 176.870 -0.067 0.000 1.217 428 L CA -0.331 54.468 54.840 -0.068 0.000 0.935 428 L CB 0.647 42.639 42.059 -0.112 0.000 1.193 428 L HN 0.053 nan 8.230 nan 0.000 0.493 429 P HA -0.039 nan 4.420 nan 0.000 0.239 429 P C -0.268 177.008 177.300 -0.039 0.000 1.188 429 P CA 0.336 63.345 63.100 -0.151 0.000 0.794 429 P CB 0.210 31.670 31.700 -0.399 0.000 0.937 430 W N 2.879 124.171 121.300 -0.012 0.000 2.184 430 W HA 0.286 4.944 4.660 -0.004 0.000 0.338 430 W C -1.601 174.825 176.519 -0.156 0.000 1.257 430 W CA -1.873 55.447 57.345 -0.042 0.000 1.243 430 W CB -0.667 28.676 29.460 -0.194 0.000 1.122 430 W HN -0.104 nan 8.180 nan 0.000 0.585 431 P HA 0.008 nan 4.420 nan 0.000 0.274 431 P C 0.274 177.479 177.300 -0.159 0.000 1.256 431 P CA 0.018 63.090 63.100 -0.048 0.000 0.795 431 P CB 1.102 32.816 31.700 0.024 0.000 1.038 432 E N 0.891 121.066 120.200 -0.041 0.000 2.110 432 E HA -0.152 4.196 4.350 -0.003 0.000 0.193 432 E C 1.702 178.302 176.600 0.000 0.000 0.988 432 E CA 1.524 57.915 56.400 -0.015 0.000 0.804 432 E CB -0.720 29.008 29.700 0.047 0.000 0.745 432 E HN 0.611 nan 8.360 nan 0.000 0.458 433 W N -0.352 120.980 121.300 0.054 0.000 2.525 433 W HA -0.098 4.560 4.660 -0.003 0.000 0.259 433 W C 1.089 177.655 176.519 0.078 0.000 1.253 433 W CA 0.509 57.894 57.345 0.068 0.000 1.262 433 W CB -0.703 28.806 29.460 0.082 0.000 1.122 433 W HN 0.065 nan 8.180 nan 0.000 0.607 434 M N 1.303 120.438 119.600 -0.776 0.000 2.558 434 M HA 0.182 4.660 4.480 -0.003 0.000 0.255 434 M C 1.627 177.749 176.300 -0.297 0.000 1.113 434 M CA 1.360 56.210 55.300 -0.750 0.000 1.097 434 M CB -0.618 31.416 32.600 -0.943 0.000 1.426 434 M HN 0.126 nan 8.290 nan 0.000 0.488 435 G N 0.728 109.420 108.800 -0.180 0.000 2.547 435 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.271 435 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.271 435 G C -0.250 174.587 174.900 -0.105 0.000 1.209 435 G CA -0.371 44.678 45.100 -0.084 0.000 0.959 435 G HN 0.183 nan 8.290 nan 0.000 0.563 436 V N 1.958 121.835 119.914 -0.061 0.000 2.267 436 V HA 0.430 4.548 4.120 -0.003 0.000 0.254 436 V C 1.105 177.220 176.094 0.035 0.000 1.144 436 V CA 0.297 62.582 62.300 -0.025 0.000 0.992 436 V CB 0.258 32.051 31.823 -0.049 0.000 1.199 436 V HN 0.526 nan 8.190 nan 0.000 0.493 437 M N 2.266 121.877 119.600 0.018 0.000 2.226 437 M HA 0.261 4.739 4.480 -0.003 0.000 0.324 437 M C 0.636 177.013 176.300 0.129 0.000 1.112 437 M CA -0.362 54.948 55.300 0.016 0.000 1.176 437 M CB 0.224 32.763 32.600 -0.103 0.000 1.430 437 M HN 0.648 nan 8.290 nan 0.000 0.462 438 H N 0.490 119.503 119.070 -0.095 0.000 3.167 438 H HA 0.142 4.696 4.556 -0.003 0.000 0.306 438 H C 1.026 176.244 175.328 -0.183 0.000 0.965 438 H CA 2.014 57.931 56.048 -0.219 0.000 1.408 438 H CB 0.162 29.676 29.762 -0.413 0.000 1.406 438 H HN 0.745 nan 8.280 nan 0.000 0.576 439 G N 3.370 111.768 108.800 -0.669 0.000 2.217 439 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.246 439 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.246 439 G C 0.495 175.194 174.900 -0.335 0.000 0.990 439 G CA 0.403 45.146 45.100 -0.595 0.000 0.627 439 G HN 0.649 nan 8.290 nan 0.000 0.522 440 Y N 1.276 121.588 120.300 0.020 0.000 2.571 440 Y HA 0.288 4.836 4.550 -0.003 0.000 0.275 440 Y C 2.180 178.099 175.900 0.031 0.000 1.179 440 Y CA 0.700 58.886 58.100 0.143 0.000 1.242 440 Y CB 0.526 39.101 38.460 0.192 0.000 1.126 440 Y HN 0.456 nan 8.280 nan 0.000 0.524 441 E N 0.254 120.297 120.200 -0.261 0.000 2.340 441 E HA -0.042 4.306 4.350 -0.003 0.000 0.194 441 E C 1.563 178.020 176.600 -0.238 0.000 0.996 441 E CA 0.612 56.550 56.400 -0.771 0.000 0.869 441 E CB -0.335 28.543 29.700 -1.370 0.000 0.835 441 E HN 0.545 nan 8.360 nan 0.000 0.493 442 I N 2.771 123.310 120.570 -0.051 0.000 2.163 442 I HA -0.309 3.859 4.170 -0.003 0.000 0.243 442 I C 2.694 178.860 176.117 0.082 0.000 1.085 442 I CA 2.190 63.540 61.300 0.084 0.000 1.347 442 I CB -0.441 37.679 38.000 0.200 0.000 1.044 442 I HN 0.237 nan 8.210 nan 0.000 0.408 443 E N 0.847 121.072 120.200 0.042 0.000 2.268 443 E HA -0.208 4.140 4.350 -0.003 0.000 0.195 443 E C 2.024 178.489 176.600 -0.225 0.000 0.995 443 E CA 1.215 57.567 56.400 -0.080 0.000 0.836 443 E CB -0.431 29.232 29.700 -0.062 0.000 0.763 443 E HN 0.405 nan 8.360 nan 0.000 0.491 444 F N 1.447 121.287 119.950 -0.183 0.000 2.163 444 F HA -0.083 4.442 4.527 -0.003 0.000 0.297 444 F C 2.441 178.030 175.800 -0.351 0.000 1.094 444 F CA 0.710 58.559 58.000 -0.252 0.000 1.290 444 F CB -0.480 38.425 39.000 -0.158 0.000 1.017 444 F HN -0.133 nan 8.300 nan 0.000 0.483 445 V N -0.929 118.828 119.914 -0.261 0.000 2.392 445 V HA -0.309 3.809 4.120 -0.003 0.000 0.249 445 V C 1.902 177.744 176.094 -0.420 0.000 1.059 445 V CA 1.793 63.762 62.300 -0.553 0.000 1.051 445 V CB -0.687 30.796 31.823 -0.566 0.000 0.658 445 V HN 0.237 nan 8.190 nan 0.000 0.455 446 F N -0.080 119.703 119.950 -0.277 0.000 2.765 446 F HA 0.394 4.919 4.527 -0.004 0.000 0.302 446 F C 1.777 177.436 175.800 -0.235 0.000 1.111 446 F CA 0.771 58.640 58.000 -0.218 0.000 1.359 446 F CB 0.289 39.132 39.000 -0.263 0.000 1.097 446 F HN 0.273 nan 8.300 nan 0.000 0.577 447 G N 0.393 109.054 108.800 -0.232 0.000 2.137 447 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.237 447 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.237 447 G C 1.110 175.552 174.900 -0.763 0.000 1.002 447 G CA 0.342 45.219 45.100 -0.371 0.000 0.702 447 G HN 0.336 nan 8.290 nan 0.000 0.515 448 L N -0.420 120.338 121.223 -0.776 0.000 2.079 448 L HA -0.069 4.269 4.340 -0.003 0.000 0.210 448 L C 0.024 176.401 176.870 -0.823 0.000 1.081 448 L CA 2.090 56.401 54.840 -0.882 0.000 0.752 448 L CB -1.434 40.335 42.059 -0.484 0.000 0.896 448 L HN 0.198 nan 8.230 nan 0.000 0.433 449 P HA -0.082 nan 4.420 nan 0.000 0.234 449 P C 1.765 178.758 177.300 -0.512 0.000 1.167 449 P CA 0.862 63.308 63.100 -1.091 0.000 0.763 449 P CB 0.040 30.937 31.700 -1.338 0.000 0.835 450 L N -1.031 119.925 121.223 -0.445 0.000 2.362 450 L HA -0.060 4.278 4.340 -0.003 0.000 0.219 450 L C 1.190 177.954 176.870 -0.176 0.000 1.134 450 L CA 0.617 55.282 54.840 -0.292 0.000 0.807 450 L CB -0.758 41.179 42.059 -0.202 0.000 0.927 450 L HN -0.031 nan 8.230 nan 0.000 0.447 451 E N 0.905 121.092 120.200 -0.022 0.000 2.029 451 E HA 0.017 4.365 4.350 -0.003 0.000 0.276 451 E C 1.087 177.743 176.600 0.094 0.000 1.163 451 E CA -0.013 56.514 56.400 0.211 0.000 0.909 451 E CB 0.412 30.237 29.700 0.209 0.000 1.046 451 E HN -0.002 nan 8.360 nan 0.000 0.406 452 R N 3.568 124.103 120.500 0.058 0.000 2.105 452 R HA -0.110 4.228 4.340 -0.003 0.000 0.239 452 R C 1.245 177.581 176.300 0.060 0.000 1.135 452 R CA 1.164 57.284 56.100 0.034 0.000 0.967 452 R CB -0.186 30.115 30.300 0.002 0.000 0.861 452 R HN 0.533 nan 8.270 nan 0.000 0.442 453 R N 0.372 120.923 120.500 0.084 0.000 2.377 453 R HA -0.111 4.227 4.340 -0.003 0.000 0.207 453 R C 0.490 176.819 176.300 0.048 0.000 1.075 453 R CA 0.869 57.007 56.100 0.064 0.000 1.035 453 R CB -0.108 30.239 30.300 0.078 0.000 0.857 453 R HN 0.188 nan 8.270 nan 0.000 0.475 454 D N -0.875 119.567 120.400 0.070 0.000 2.431 454 D HA 0.021 4.659 4.640 -0.003 0.000 0.213 454 D C -0.168 176.107 176.300 -0.041 0.000 1.130 454 D CA -0.045 53.986 54.000 0.051 0.000 0.834 454 D CB 0.523 41.414 40.800 0.152 0.000 0.985 454 D HN -0.160 nan 8.370 nan 0.000 0.504 455 Q N -1.547 118.240 119.800 -0.022 0.000 2.465 455 Q HA -0.221 4.117 4.340 -0.003 0.000 0.248 455 Q C -1.068 174.844 176.000 -0.147 0.000 0.819 455 Q CA 0.545 56.295 55.803 -0.088 0.000 1.219 455 Q CB -2.265 26.390 28.738 -0.138 0.000 1.472 455 Q HN 0.469 nan 8.270 nan 0.000 0.630 456 Y N -0.064 120.214 120.300 -0.035 0.000 2.300 456 Y HA 0.399 4.947 4.550 -0.003 0.000 0.328 456 Y C 1.666 177.562 175.900 -0.006 0.000 1.270 456 Y CA 0.113 58.202 58.100 -0.018 0.000 1.352 456 Y CB 0.676 39.097 38.460 -0.065 0.000 1.286 456 Y HN 0.121 nan 8.280 nan 0.000 0.536 457 T N -1.791 112.895 114.554 0.220 0.000 2.766 457 T HA 0.111 4.459 4.350 -0.003 0.000 0.295 457 T C 1.113 175.860 174.700 0.080 0.000 1.024 457 T CA -0.731 61.441 62.100 0.120 0.000 1.018 457 T CB 0.951 69.885 68.868 0.111 0.000 1.002 457 T HN 0.674 nan 8.240 nan 0.000 0.532 458 K N 1.008 121.430 120.400 0.037 0.000 2.057 458 K HA 0.020 4.338 4.320 -0.003 0.000 0.207 458 K C 2.416 179.013 176.600 -0.006 0.000 1.049 458 K CA 1.635 57.925 56.287 0.004 0.000 0.931 458 K CB -1.079 31.419 32.500 -0.003 0.000 0.714 458 K HN 0.759 nan 8.250 nan 0.000 0.440 459 A N 0.453 123.275 122.820 0.003 0.000 2.019 459 A HA -0.151 4.167 4.320 -0.003 0.000 0.219 459 A C 1.829 179.387 177.584 -0.044 0.000 1.164 459 A CA 1.707 53.729 52.037 -0.026 0.000 0.644 459 A CB -0.402 18.582 19.000 -0.027 0.000 0.805 459 A HN 0.498 nan 8.150 nan 0.000 0.449 460 E N -0.807 119.401 120.200 0.014 0.000 2.122 460 E HA -0.127 4.221 4.350 -0.003 0.000 0.190 460 E C 2.002 178.585 176.600 -0.028 0.000 0.977 460 E CA 0.690 57.134 56.400 0.074 0.000 0.820 460 E CB -0.092 29.764 29.700 0.260 0.000 0.770 460 E HN 0.791 nan 8.360 nan 0.000 0.462 461 E N 1.084 121.234 120.200 -0.084 0.000 2.058 461 E HA -0.230 4.118 4.350 -0.003 0.000 0.194 461 E C 2.045 178.580 176.600 -0.108 0.000 0.997 461 E CA 1.042 57.355 56.400 -0.145 0.000 0.801 461 E CB 0.069 29.696 29.700 -0.122 0.000 0.746 461 E HN 0.130 nan 8.360 nan 0.000 0.450 462 I N 1.154 121.681 120.570 -0.072 0.000 2.163 462 I HA -0.266 3.902 4.170 -0.003 0.000 0.243 462 I C 2.693 178.779 176.117 -0.052 0.000 1.085 462 I CA 0.868 62.132 61.300 -0.061 0.000 1.347 462 I CB -1.227 36.742 38.000 -0.052 0.000 1.044 462 I HN 0.305 nan 8.210 nan 0.000 0.408 463 L N 0.523 121.717 121.223 -0.048 0.000 2.017 463 L HA -0.194 4.144 4.340 -0.003 0.000 0.208 463 L C 2.776 179.663 176.870 0.030 0.000 1.073 463 L CA 2.154 56.972 54.840 -0.037 0.000 0.745 463 L CB -0.795 41.197 42.059 -0.112 0.000 0.894 463 L HN 0.184 nan 8.230 nan 0.000 0.432 464 S N -0.975 114.767 115.700 0.071 0.000 2.383 464 S HA -0.222 4.246 4.470 -0.003 0.000 0.227 464 S C 2.260 176.807 174.600 -0.088 0.000 1.026 464 S CA 1.184 59.382 58.200 -0.002 0.000 0.981 464 S CB -0.367 62.689 63.200 -0.239 0.000 0.818 464 S HN 0.514 nan 8.310 nan 0.000 0.472 465 R N 1.335 121.783 120.500 -0.087 0.000 2.091 465 R HA 0.012 4.350 4.340 -0.003 0.000 0.238 465 R C 2.532 178.812 176.300 -0.034 0.000 1.136 465 R CA 2.168 58.225 56.100 -0.071 0.000 0.959 465 R CB -1.184 29.074 30.300 -0.071 0.000 0.856 465 R HN 0.431 nan 8.270 nan 0.000 0.437 466 S N -0.709 114.977 115.700 -0.023 0.000 2.387 466 S HA 0.005 4.473 4.470 -0.003 0.000 0.226 466 S C 1.943 176.561 174.600 0.030 0.000 1.026 466 S CA 1.045 59.251 58.200 0.010 0.000 0.972 466 S CB -0.207 62.996 63.200 0.005 0.000 0.814 466 S HN 0.398 nan 8.310 nan 0.000 0.477 467 I N 0.990 121.540 120.570 -0.033 0.000 2.226 467 I HA -0.112 4.056 4.170 -0.003 0.000 0.245 467 I C 2.328 178.381 176.117 -0.106 0.000 1.100 467 I CA 0.861 62.090 61.300 -0.118 0.000 1.374 467 I CB -0.285 37.508 38.000 -0.345 0.000 1.057 467 I HN 0.204 nan 8.210 nan 0.000 0.413 468 V N 0.934 120.776 119.914 -0.119 0.000 2.295 468 V HA -0.294 3.824 4.120 -0.003 0.000 0.246 468 V C 2.540 178.664 176.094 0.049 0.000 1.049 468 V CA 1.918 64.168 62.300 -0.085 0.000 1.024 468 V CB -0.523 31.246 31.823 -0.090 0.000 0.648 468 V HN 0.359 nan 8.190 nan 0.000 0.447 469 K N 0.734 121.173 120.400 0.065 0.000 2.009 469 K HA -0.178 4.140 4.320 -0.003 0.000 0.210 469 K C 2.209 178.914 176.600 0.174 0.000 1.049 469 K CA 1.725 58.074 56.287 0.103 0.000 0.929 469 K CB -0.479 32.073 32.500 0.087 0.000 0.714 469 K HN 0.328 nan 8.250 nan 0.000 0.440 470 R N -0.915 119.730 120.500 0.243 0.000 2.096 470 R HA -0.154 4.184 4.340 -0.003 0.000 0.240 470 R C 2.466 179.003 176.300 0.395 0.000 1.139 470 R CA 1.944 58.259 56.100 0.358 0.000 0.952 470 R CB -0.576 30.043 30.300 0.531 0.000 0.854 470 R HN 0.439 nan 8.270 nan 0.000 0.436 471 W N 0.242 121.557 121.300 0.026 0.000 2.358 471 W HA -0.158 4.500 4.660 -0.003 0.000 0.303 471 W C 2.410 178.911 176.519 -0.030 0.000 1.208 471 W CA 0.645 57.977 57.345 -0.021 0.000 1.274 471 W CB -0.129 29.265 29.460 -0.109 0.000 1.138 471 W HN 0.262 nan 8.180 nan 0.000 0.515 472 A N 0.684 123.602 122.820 0.164 0.000 1.877 472 A HA -0.227 4.090 4.320 -0.003 0.000 0.216 472 A C 1.716 179.274 177.584 -0.043 0.000 1.186 472 A CA 1.871 53.921 52.037 0.022 0.000 0.620 472 A CB -1.050 17.964 19.000 0.024 0.000 0.822 472 A HN 0.214 nan 8.150 nan 0.000 0.443 473 N N -1.072 117.660 118.700 0.053 0.000 2.188 473 N HA -0.111 4.627 4.740 -0.003 0.000 0.184 473 N C 1.359 176.873 175.510 0.008 0.000 1.018 473 N CA 1.300 54.398 53.050 0.080 0.000 0.858 473 N CB -0.585 38.038 38.487 0.227 0.000 0.989 473 N HN 0.532 nan 8.380 nan 0.000 0.426 474 F N 1.562 121.430 119.950 -0.136 0.000 2.102 474 F HA -0.109 4.416 4.527 -0.003 0.000 0.298 474 F C 2.138 177.823 175.800 -0.191 0.000 1.105 474 F CA 1.431 59.300 58.000 -0.218 0.000 1.239 474 F CB -0.433 38.358 39.000 -0.348 0.000 0.991 474 F HN 0.035 nan 8.300 nan 0.000 0.474 475 A N 0.510 123.238 122.820 -0.154 0.000 1.858 475 A HA -0.203 4.115 4.320 -0.003 0.000 0.216 475 A C 2.232 179.608 177.584 -0.348 0.000 1.190 475 A CA 1.987 53.876 52.037 -0.248 0.000 0.617 475 A CB -0.718 18.193 19.000 -0.149 0.000 0.827 475 A HN 0.471 nan 8.150 nan 0.000 0.443 476 K N -1.943 118.177 120.400 -0.466 0.000 2.097 476 K HA -0.092 4.226 4.320 -0.003 0.000 0.205 476 K C 0.999 177.181 176.600 -0.698 0.000 1.050 476 K CA 1.721 57.578 56.287 -0.716 0.000 0.938 476 K CB -0.201 31.531 32.500 -1.279 0.000 0.718 476 K HN 0.760 nan 8.250 nan 0.000 0.442 477 Y N -1.508 118.707 120.300 -0.140 0.000 2.563 477 Y HA 0.240 4.788 4.550 -0.004 0.000 0.250 477 Y C 1.053 176.846 175.900 -0.179 0.000 1.126 477 Y CA -0.250 57.777 58.100 -0.123 0.000 1.231 477 Y CB 1.514 39.933 38.460 -0.069 0.000 1.288 477 Y HN 0.134 nan 8.280 nan 0.000 0.537 478 G N 1.795 110.434 108.800 -0.269 0.000 2.160 478 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.251 478 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.251 478 G C -0.436 174.371 174.900 -0.156 0.000 1.008 478 G CA 0.394 45.229 45.100 -0.441 0.000 0.724 478 G HN 0.340 nan 8.290 nan 0.000 0.514 479 N N -0.198 118.443 118.700 -0.099 0.000 2.533 479 N HA 0.422 5.160 4.740 -0.003 0.000 0.289 479 N C -2.820 172.569 175.510 -0.202 0.000 1.103 479 N CA -1.725 51.220 53.050 -0.175 0.000 0.877 479 N CB 2.513 41.000 38.487 0.000 0.000 1.419 479 N HN -0.009 nan 8.380 nan 0.000 0.517 480 P HA 0.168 nan 4.420 nan 0.000 0.212 480 P C -0.699 176.644 177.300 0.070 0.000 1.816 480 P CA -0.220 62.753 63.100 -0.211 0.000 0.944 480 P CB 0.243 31.563 31.700 -0.633 0.000 1.896 481 Q N 0.722 120.575 119.800 0.088 0.000 2.205 481 Q HA 0.302 4.640 4.340 -0.003 0.000 0.249 481 Q C 0.148 176.250 176.000 0.170 0.000 0.948 481 Q CA -0.263 55.639 55.803 0.165 0.000 0.895 481 Q CB 1.575 30.386 28.738 0.121 0.000 1.249 481 Q HN 0.236 nan 8.270 nan 0.000 0.458 482 E N 1.497 121.795 120.200 0.163 0.000 2.073 482 E HA 0.152 4.500 4.350 -0.003 0.000 0.269 482 E C 0.007 176.663 176.600 0.094 0.000 0.917 482 E CA -0.192 56.281 56.400 0.122 0.000 0.757 482 E CB 0.850 30.615 29.700 0.108 0.000 1.111 482 E HN 0.699 nan 8.360 nan 0.000 0.410 483 T N 0.916 115.517 114.554 0.078 0.000 3.044 483 T HA 0.063 4.411 4.350 -0.003 0.000 0.250 483 T C 1.193 175.920 174.700 0.045 0.000 1.081 483 T CA 0.375 62.511 62.100 0.059 0.000 1.040 483 T CB 0.234 69.128 68.868 0.042 0.000 0.962 483 T HN 0.340 nan 8.240 nan 0.000 0.506 484 Q N 0.873 120.699 119.800 0.043 0.000 2.297 484 Q HA 0.229 4.567 4.340 -0.003 0.000 0.203 484 Q C 0.532 176.548 176.000 0.027 0.000 0.931 484 Q CA 0.422 56.244 55.803 0.032 0.000 0.885 484 Q CB 0.256 29.012 28.738 0.030 0.000 0.991 484 Q HN 0.338 nan 8.270 nan 0.000 0.498 485 N N 1.298 120.016 118.700 0.030 0.000 2.546 485 N HA 0.080 4.818 4.740 -0.003 0.000 0.286 485 N C -1.113 174.410 175.510 0.022 0.000 1.259 485 N CA -0.020 53.043 53.050 0.021 0.000 0.939 485 N CB 0.852 39.349 38.487 0.016 0.000 1.243 485 N HN 0.015 nan 8.380 nan 0.000 0.511 486 Q N -1.015 118.800 119.800 0.025 0.000 2.406 486 Q HA -0.190 4.148 4.340 -0.003 0.000 0.339 486 Q C -0.465 175.552 176.000 0.029 0.000 1.337 486 Q CA 0.644 56.463 55.803 0.027 0.000 0.985 486 Q CB -2.109 26.641 28.738 0.020 0.000 1.216 486 Q HN 0.204 nan 8.270 nan 0.000 0.415 487 S N -0.554 115.169 115.700 0.039 0.000 2.652 487 S HA 0.483 4.951 4.470 -0.003 0.000 0.270 487 S C 0.440 175.071 174.600 0.052 0.000 1.243 487 S CA -0.820 57.405 58.200 0.041 0.000 0.999 487 S CB 1.167 64.400 63.200 0.055 0.000 0.973 487 S HN 0.344 nan 8.310 nan 0.000 0.544 488 T N 2.339 116.920 114.554 0.045 0.000 2.888 488 T HA 0.114 4.462 4.350 -0.003 0.000 0.301 488 T C 0.421 175.183 174.700 0.103 0.000 1.001 488 T CA 0.047 62.179 62.100 0.054 0.000 1.147 488 T CB 0.568 69.448 68.868 0.021 0.000 0.931 488 T HN 0.502 nan 8.240 nan 0.000 0.541 489 S N 2.896 118.673 115.700 0.129 0.000 2.548 489 S HA 0.169 4.637 4.470 -0.003 0.000 0.277 489 S C -0.553 174.223 174.600 0.294 0.000 1.315 489 S CA -0.773 57.544 58.200 0.194 0.000 1.050 489 S CB 0.102 63.397 63.200 0.159 0.000 0.918 489 S HN 0.656 nan 8.310 nan 0.000 0.497 490 W N 8.238 129.634 121.300 0.161 0.000 2.357 490 W HA 0.414 5.073 4.660 -0.003 0.000 0.317 490 W C -2.549 174.180 176.519 0.350 0.000 1.101 490 W CA -3.011 54.478 57.345 0.239 0.000 1.380 490 W CB 0.476 30.062 29.460 0.211 0.000 1.266 490 W HN 0.518 nan 8.180 nan 0.000 0.419 491 P HA 0.088 nan 4.420 nan 0.000 0.277 491 P C -0.134 177.442 177.300 0.461 0.000 1.240 491 P CA -0.111 63.266 63.100 0.462 0.000 0.798 491 P CB 1.666 33.550 31.700 0.308 0.000 0.979 492 V N 1.090 121.119 119.914 0.193 0.000 2.924 492 V HA 0.263 4.381 4.120 -0.003 0.000 0.305 492 V C -0.244 175.894 176.094 0.073 0.000 1.073 492 V CA -0.532 61.677 62.300 -0.152 0.000 1.098 492 V CB -0.167 31.459 31.823 -0.328 0.000 1.000 492 V HN 0.362 nan 8.190 nan 0.000 0.484 493 F N 4.340 124.241 119.950 -0.082 0.000 2.424 493 F HA 0.616 5.141 4.527 -0.003 0.000 0.356 493 F C 0.333 176.138 175.800 0.008 0.000 1.110 493 F CA -0.169 57.864 58.000 0.055 0.000 1.161 493 F CB 0.450 39.531 39.000 0.135 0.000 1.115 493 F HN 0.675 nan 8.300 nan 0.000 0.507 494 K N 2.871 123.175 120.400 -0.160 0.000 2.350 494 K HA 0.322 4.640 4.320 -0.003 0.000 0.241 494 K C 0.549 177.021 176.600 -0.214 0.000 0.994 494 K CA -0.852 55.391 56.287 -0.074 0.000 0.839 494 K CB 1.995 34.454 32.500 -0.067 0.000 1.244 494 K HN 0.499 nan 8.250 nan 0.000 0.443 495 S N -0.348 115.313 115.700 -0.064 0.000 2.470 495 S HA -0.063 4.405 4.470 -0.003 0.000 0.225 495 S C 1.272 175.811 174.600 -0.102 0.000 1.006 495 S CA 1.188 59.354 58.200 -0.056 0.000 0.934 495 S CB 0.081 63.294 63.200 0.020 0.000 0.778 495 S HN 0.633 nan 8.310 nan 0.000 0.517 496 T N 2.174 116.669 114.554 -0.098 0.000 2.564 496 T HA -0.068 4.280 4.350 -0.003 0.000 0.259 496 T C 1.581 176.208 174.700 -0.122 0.000 1.087 496 T CA 1.335 63.382 62.100 -0.089 0.000 1.184 496 T CB -0.312 68.517 68.868 -0.064 0.000 0.864 496 T HN 0.499 nan 8.240 nan 0.000 0.403 497 E N 0.660 120.773 120.200 -0.145 0.000 2.230 497 E HA 0.030 4.378 4.350 -0.003 0.000 0.192 497 E C 0.497 176.965 176.600 -0.219 0.000 0.987 497 E CA 0.077 56.396 56.400 -0.135 0.000 0.841 497 E CB 0.018 29.663 29.700 -0.092 0.000 0.783 497 E HN 0.433 nan 8.360 nan 0.000 0.481 498 Q N 0.637 120.164 119.800 -0.455 0.000 2.468 498 Q HA -0.189 4.149 4.340 -0.003 0.000 0.289 498 Q C -0.964 174.830 176.000 -0.343 0.000 1.299 498 Q CA 0.477 55.794 55.803 -0.810 0.000 0.838 498 Q CB -1.245 27.215 28.738 -0.463 0.000 1.195 498 Q HN 0.189 nan 8.270 nan 0.000 0.456 499 K N 0.971 121.263 120.400 -0.180 0.000 2.401 499 K HA 0.227 4.545 4.320 -0.003 0.000 0.278 499 K C -0.162 176.693 176.600 0.425 0.000 1.018 499 K CA 0.332 56.679 56.287 0.101 0.000 0.981 499 K CB 0.283 32.842 32.500 0.099 0.000 0.933 499 K HN 0.215 nan 8.250 nan 0.000 0.477 500 Y N -0.089 120.407 120.300 0.326 0.000 2.638 500 Y HA 0.654 5.202 4.550 -0.003 0.000 0.339 500 Y C -1.371 174.709 175.900 0.300 0.000 1.084 500 Y CA -1.793 56.615 58.100 0.513 0.000 1.068 500 Y CB 0.751 39.578 38.460 0.611 0.000 1.294 500 Y HN 0.335 nan 8.280 nan 0.000 0.480 501 L N 2.341 123.714 121.223 0.250 0.000 2.329 501 L HA 0.706 5.044 4.340 -0.003 0.000 0.279 501 L C -0.166 176.757 176.870 0.090 0.000 1.014 501 L CA -0.255 54.508 54.840 -0.129 0.000 0.814 501 L CB 1.934 43.524 42.059 -0.783 0.000 1.257 501 L HN 0.968 nan 8.230 nan 0.000 0.424 502 T N 3.001 117.582 114.554 0.044 0.000 2.845 502 T HA 0.567 4.915 4.350 -0.003 0.000 0.288 502 T C -0.250 174.455 174.700 0.008 0.000 0.980 502 T CA -0.615 61.583 62.100 0.163 0.000 1.071 502 T CB 0.637 69.608 68.868 0.170 0.000 0.941 502 T HN 0.513 nan 8.240 nan 0.000 0.487 503 L N 4.260 125.482 121.223 -0.001 0.000 2.295 503 L HA 0.539 4.877 4.340 -0.003 0.000 0.281 503 L C -0.103 176.604 176.870 -0.271 0.000 1.018 503 L CA -0.708 54.063 54.840 -0.115 0.000 0.841 503 L CB 0.523 42.568 42.059 -0.025 0.000 1.218 503 L HN 0.968 nan 8.230 nan 0.000 0.424 504 N N -0.748 117.816 118.700 -0.226 0.000 3.039 504 N HA 0.311 5.049 4.740 -0.003 0.000 0.257 504 N C 0.331 175.707 175.510 -0.223 0.000 1.497 504 N CA -0.385 52.513 53.050 -0.254 0.000 0.861 504 N CB 1.066 39.461 38.487 -0.153 0.000 1.479 504 N HN 0.207 nan 8.380 nan 0.000 0.547 505 T N -3.800 110.624 114.554 -0.216 0.000 3.081 505 T HA 0.089 4.437 4.350 -0.003 0.000 0.255 505 T C 0.633 175.279 174.700 -0.090 0.000 1.113 505 T CA 0.894 62.882 62.100 -0.187 0.000 1.082 505 T CB -0.487 68.250 68.868 -0.219 0.000 0.939 505 T HN 0.685 nan 8.240 nan 0.000 0.506 506 E N 2.454 122.616 120.200 -0.063 0.000 2.115 506 E HA 0.187 4.535 4.350 -0.003 0.000 0.213 506 E C 0.473 177.054 176.600 -0.032 0.000 0.936 506 E CA 0.014 56.394 56.400 -0.034 0.000 0.947 506 E CB -0.029 29.663 29.700 -0.014 0.000 1.169 506 E HN 0.395 nan 8.360 nan 0.000 0.497 507 S N 0.770 116.455 115.700 -0.026 0.000 2.640 507 S HA 0.321 4.789 4.470 -0.003 0.000 0.320 507 S C -0.462 174.121 174.600 -0.028 0.000 1.097 507 S CA -0.840 57.346 58.200 -0.022 0.000 1.092 507 S CB 1.421 64.615 63.200 -0.011 0.000 0.988 507 S HN 0.149 nan 8.310 nan 0.000 0.470 508 T N 5.657 120.189 114.554 -0.037 0.000 2.784 508 T HA 0.204 4.552 4.350 -0.003 0.000 0.291 508 T C 0.453 175.130 174.700 -0.039 0.000 0.942 508 T CA -0.096 61.977 62.100 -0.045 0.000 1.161 508 T CB -0.245 68.593 68.868 -0.051 0.000 0.885 508 T HN 0.727 nan 8.240 nan 0.000 0.534 509 R N 2.931 123.404 120.500 -0.045 0.000 2.854 509 R HA 0.603 4.941 4.340 -0.003 0.000 0.271 509 R C -0.986 175.251 176.300 -0.105 0.000 0.996 509 R CA -1.151 54.915 56.100 -0.057 0.000 0.961 509 R CB 1.168 31.442 30.300 -0.043 0.000 1.182 509 R HN 0.282 nan 8.270 nan 0.000 0.479 510 I N 2.014 122.528 120.570 -0.094 0.000 2.342 510 I HA 0.333 4.501 4.170 -0.003 0.000 0.291 510 I C -0.051 175.945 176.117 -0.202 0.000 1.010 510 I CA -0.691 60.531 61.300 -0.132 0.000 1.308 510 I CB 0.840 38.818 38.000 -0.037 0.000 1.400 510 I HN 0.660 nan 8.210 nan 0.000 0.488 511 M N 5.028 124.380 119.600 -0.413 0.000 2.631 511 M HA 0.559 5.037 4.480 -0.003 0.000 0.288 511 M C -0.559 175.507 176.300 -0.391 0.000 1.260 511 M CA -0.375 54.641 55.300 -0.473 0.000 0.842 511 M CB 2.442 34.478 32.600 -0.940 0.000 1.743 511 M HN 0.689 nan 8.290 nan 0.000 0.461 512 T N -0.945 113.572 114.554 -0.061 0.000 2.876 512 T HA 0.642 4.990 4.350 -0.003 0.000 0.289 512 T C -0.864 173.975 174.700 0.232 0.000 1.014 512 T CA -0.912 61.250 62.100 0.103 0.000 0.986 512 T CB 1.421 70.299 68.868 0.016 0.000 1.021 512 T HN 0.737 nan 8.240 nan 0.000 0.458 513 K N 0.736 121.254 120.400 0.197 0.000 3.239 513 K HA -0.147 4.171 4.320 -0.003 0.000 0.270 513 K C -0.143 176.493 176.600 0.060 0.000 1.049 513 K CA -0.178 56.157 56.287 0.081 0.000 0.769 513 K CB -1.484 31.040 32.500 0.039 0.000 1.305 513 K HN 0.665 nan 8.250 nan 0.000 0.469 514 L N 1.739 122.936 121.223 -0.043 0.000 2.615 514 L HA -0.071 4.267 4.340 -0.003 0.000 0.284 514 L C 0.771 177.560 176.870 -0.135 0.000 1.237 514 L CA 0.920 55.591 54.840 -0.282 0.000 0.905 514 L CB 0.090 41.645 42.059 -0.841 0.000 1.149 514 L HN 0.371 nan 8.230 nan 0.000 0.499 515 R N 2.916 123.378 120.500 -0.064 0.000 3.405 515 R HA -0.283 4.055 4.340 -0.003 0.000 0.258 515 R C 1.179 177.521 176.300 0.070 0.000 1.030 515 R CA 0.759 56.882 56.100 0.039 0.000 0.691 515 R CB -2.380 27.976 30.300 0.094 0.000 1.093 515 R HN 0.893 nan 8.270 nan 0.000 0.448 516 A N 0.719 123.568 122.820 0.048 0.000 1.851 516 A HA -0.248 4.069 4.320 -0.003 0.000 0.216 516 A C 2.118 179.752 177.584 0.085 0.000 1.195 516 A CA 1.668 53.740 52.037 0.058 0.000 0.622 516 A CB -0.284 18.741 19.000 0.041 0.000 0.831 516 A HN 0.560 nan 8.150 nan 0.000 0.444 517 Q N -1.145 118.702 119.800 0.078 0.000 2.077 517 Q HA -0.297 4.041 4.340 -0.003 0.000 0.206 517 Q C 2.400 178.513 176.000 0.189 0.000 0.989 517 Q CA 2.160 58.026 55.803 0.106 0.000 0.853 517 Q CB -0.193 28.567 28.738 0.037 0.000 0.907 517 Q HN 0.783 nan 8.270 nan 0.000 0.418 518 Q N -0.611 119.308 119.800 0.198 0.000 2.050 518 Q HA -0.142 4.196 4.340 -0.003 0.000 0.202 518 Q C 2.181 178.363 176.000 0.304 0.000 0.980 518 Q CA 1.661 57.621 55.803 0.261 0.000 0.840 518 Q CB -0.265 28.677 28.738 0.340 0.000 0.898 518 Q HN 0.385 nan 8.270 nan 0.000 0.424 519 c N 0.086 118.863 118.600 0.295 0.000 2.446 519 c HA -0.007 4.561 4.570 -0.003 0.000 0.279 519 c C 2.392 176.619 174.090 0.227 0.000 1.366 519 c CA 0.177 56.699 56.329 0.322 0.000 1.763 519 c CB -0.747 41.896 42.510 0.222 0.000 1.929 519 c HN 0.445 nan 8.230 nan 0.000 0.509 520 R N 0.058 120.647 120.500 0.149 0.000 2.091 520 R HA -0.172 4.166 4.340 -0.003 0.000 0.238 520 R C 2.037 178.381 176.300 0.074 0.000 1.136 520 R CA 1.817 57.981 56.100 0.106 0.000 0.959 520 R CB -0.536 29.820 30.300 0.093 0.000 0.856 520 R HN 0.622 nan 8.270 nan 0.000 0.437 521 F N -0.279 119.553 119.950 -0.196 0.000 2.075 521 F HA -0.223 4.302 4.527 -0.003 0.000 0.297 521 F C 1.618 177.310 175.800 -0.180 0.000 1.113 521 F CA 1.528 59.284 58.000 -0.406 0.000 1.218 521 F CB -0.336 37.935 39.000 -1.214 0.000 0.984 521 F HN 0.010 nan 8.300 nan 0.000 0.472 522 W N 0.018 121.358 121.300 0.067 0.000 2.418 522 W HA -0.084 4.574 4.660 -0.003 0.000 0.292 522 W C 2.544 179.110 176.519 0.078 0.000 1.213 522 W CA 1.420 58.812 57.345 0.077 0.000 1.283 522 W CB -0.704 28.916 29.460 0.267 0.000 1.119 522 W HN -0.151 nan 8.180 nan 0.000 0.542 523 T N -1.095 113.625 114.554 0.276 0.000 2.894 523 T HA -0.074 4.274 4.350 -0.003 0.000 0.258 523 T C 1.729 176.488 174.700 0.099 0.000 1.043 523 T CA 1.676 63.885 62.100 0.182 0.000 1.141 523 T CB -0.178 68.787 68.868 0.163 0.000 0.873 523 T HN -0.035 nan 8.240 nan 0.000 0.449 524 S N 0.400 116.141 115.700 0.070 0.000 2.510 524 S HA 0.249 4.717 4.470 -0.003 0.000 0.230 524 S C 1.534 176.143 174.600 0.015 0.000 1.066 524 S CA -0.177 58.053 58.200 0.049 0.000 0.941 524 S CB -0.339 62.904 63.200 0.071 0.000 0.829 524 S HN 0.447 nan 8.310 nan 0.000 0.530 525 F N 1.661 121.511 119.950 -0.166 0.000 2.118 525 F HA 0.126 4.651 4.527 -0.003 0.000 0.293 525 F C 1.912 177.556 175.800 -0.260 0.000 1.102 525 F CA 0.917 58.781 58.000 -0.227 0.000 1.247 525 F CB -0.338 38.477 39.000 -0.310 0.000 1.017 525 F HN 0.145 nan 8.300 nan 0.000 0.475 526 F N 1.934 121.474 119.950 -0.684 0.000 2.154 526 F HA -0.091 4.434 4.527 -0.003 0.000 0.301 526 F C -0.941 174.645 175.800 -0.357 0.000 1.087 526 F CA 1.264 58.888 58.000 -0.626 0.000 1.274 526 F CB -1.750 36.996 39.000 -0.423 0.000 1.009 526 F HN -0.009 nan 8.300 nan 0.000 0.485 527 P HA -0.121 nan 4.420 nan 0.000 0.226 527 P C 0.850 177.974 177.300 -0.295 0.000 1.153 527 P CA 1.449 64.428 63.100 -0.202 0.000 0.777 527 P CB -0.098 31.570 31.700 -0.054 0.000 0.794 528 K N -0.504 119.652 120.400 -0.407 0.000 2.366 528 K HA 0.047 4.364 4.320 -0.003 0.000 0.198 528 K C 1.226 177.610 176.600 -0.361 0.000 1.044 528 K CA 0.331 56.412 56.287 -0.344 0.000 0.973 528 K CB -0.397 31.904 32.500 -0.331 0.000 0.767 528 K HN 0.148 nan 8.250 nan 0.000 0.475 529 V N 0.000 119.592 119.914 -0.537 0.000 2.409 529 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 529 V CA 0.000 62.078 62.300 -0.370 0.000 1.235 529 V CB 0.000 31.563 31.823 -0.434 0.000 1.184 529 V HN 0.000 nan 8.190 nan 0.000 0.556