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 2xmc_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 0.000 176.320 176.300 0.034 0.000 2.045 3 D CA 0.000 54.009 54.000 0.016 0.000 0.868 3 D CB 0.000 40.811 40.800 0.019 0.000 0.688 4 I N 4.480 125.081 120.570 0.051 0.000 2.588 4 I HA 0.501 4.669 4.170 -0.004 0.000 0.278 4 I C -1.856 174.368 176.117 0.178 0.000 1.144 4 I CA -0.040 61.312 61.300 0.086 0.000 1.074 4 I CB 0.541 38.572 38.000 0.051 0.000 1.235 4 I HN 0.410 nan 8.210 nan 0.000 0.472 5 I N 7.255 127.923 120.570 0.164 0.000 2.509 5 I HA 0.524 4.691 4.170 -0.004 0.000 0.293 5 I C -0.747 175.429 176.117 0.097 0.000 1.020 5 I CA -0.612 60.800 61.300 0.186 0.000 1.088 5 I CB 1.827 39.904 38.000 0.130 0.000 1.267 5 I HN 0.268 nan 8.210 nan 0.000 0.430 6 I N 4.733 125.326 120.570 0.039 0.000 2.509 6 I HA 0.497 4.665 4.170 -0.004 0.000 0.293 6 I C 0.118 176.130 176.117 -0.176 0.000 1.020 6 I CA -0.709 60.455 61.300 -0.225 0.000 1.088 6 I CB 1.962 39.518 38.000 -0.740 0.000 1.267 6 I HN 0.551 nan 8.210 nan 0.000 0.430 7 A N 4.736 127.444 122.820 -0.187 0.000 2.279 7 A HA 0.566 4.884 4.320 -0.004 0.000 0.306 7 A C 0.490 177.964 177.584 -0.183 0.000 1.300 7 A CA -0.316 51.641 52.037 -0.133 0.000 0.925 7 A CB 0.104 19.041 19.000 -0.105 0.000 1.152 7 A HN 0.819 nan 8.150 nan 0.000 0.544 8 T N 0.160 114.633 114.554 -0.134 0.000 2.884 8 T HA 0.342 4.689 4.350 -0.004 0.000 0.277 8 T C 1.021 175.597 174.700 -0.207 0.000 0.976 8 T CA -0.593 61.418 62.100 -0.148 0.000 0.956 8 T CB 0.675 69.552 68.868 0.015 0.000 1.113 8 T HN 0.457 nan 8.240 nan 0.000 0.554 9 K N 0.846 121.110 120.400 -0.228 0.000 2.097 9 K HA -0.056 4.261 4.320 -0.004 0.000 0.206 9 K C 1.604 178.044 176.600 -0.265 0.000 1.049 9 K CA 1.266 57.425 56.287 -0.214 0.000 0.933 9 K CB -0.407 31.979 32.500 -0.189 0.000 0.717 9 K HN 0.592 nan 8.250 nan 0.000 0.442 10 N N 0.335 118.817 118.700 -0.363 0.000 2.336 10 N HA 0.047 4.785 4.740 -0.004 0.000 0.189 10 N C 0.846 175.596 175.510 -1.267 0.000 1.113 10 N CA 0.668 53.327 53.050 -0.652 0.000 0.858 10 N CB 1.109 39.234 38.487 -0.602 0.000 0.970 10 N HN 0.251 nan 8.380 nan 0.000 0.471 11 G N 0.642 108.930 108.800 -0.853 0.000 2.334 11 G HA2 -0.091 3.867 3.960 -0.004 0.000 0.315 11 G HA3 -0.091 3.867 3.960 -0.004 0.000 0.315 11 G C -1.565 173.230 174.900 -0.175 0.000 1.284 11 G CA -0.980 43.696 45.100 -0.706 0.000 0.985 11 G HN 0.030 nan 8.290 nan 0.000 0.504 12 K N -0.196 120.291 120.400 0.144 0.000 2.298 12 K HA 0.529 4.846 4.320 -0.004 0.000 0.280 12 K C 0.261 177.202 176.600 0.567 0.000 1.032 12 K CA -0.240 56.225 56.287 0.297 0.000 0.958 12 K CB 1.779 34.413 32.500 0.223 0.000 0.978 12 K HN 1.178 nan 8.250 nan 0.000 0.472 13 V N 0.348 120.527 119.914 0.441 0.000 2.588 13 V HA 0.502 4.620 4.120 -0.004 0.000 0.304 13 V C -0.592 175.804 176.094 0.503 0.000 1.042 13 V CA -1.148 61.474 62.300 0.537 0.000 0.877 13 V CB 1.628 33.784 31.823 0.556 0.000 0.996 13 V HN 0.833 nan 8.190 nan 0.000 0.425 14 R N 3.229 124.005 120.500 0.461 0.000 2.349 14 R HA 0.759 5.096 4.340 -0.004 0.000 0.299 14 R C 0.368 176.866 176.300 0.331 0.000 1.027 14 R CA 0.306 56.624 56.100 0.362 0.000 0.958 14 R CB 1.469 31.877 30.300 0.181 0.000 1.047 14 R HN 1.101 nan 8.270 nan 0.000 0.468 15 G N 3.117 111.929 108.800 0.020 0.000 2.890 15 G HA2 0.517 4.474 3.960 -0.004 0.000 0.189 15 G HA3 0.517 4.474 3.960 -0.004 0.000 0.189 15 G C -0.631 174.048 174.900 -0.368 0.000 1.342 15 G CA -0.681 44.040 45.100 -0.632 0.000 1.026 15 G HN 0.670 nan 8.290 nan 0.000 0.579 16 M N -0.891 118.454 119.600 -0.426 0.000 2.365 16 M HA 0.442 4.920 4.480 -0.004 0.000 0.287 16 M C -1.806 174.375 176.300 -0.199 0.000 1.154 16 M CA -0.894 54.264 55.300 -0.237 0.000 0.941 16 M CB 2.431 34.916 32.600 -0.191 0.000 1.704 16 M HN 0.279 nan 8.290 nan 0.000 0.479 17 Q N 3.599 123.325 119.800 -0.123 0.000 2.327 17 Q HA 0.656 4.994 4.340 -0.004 0.000 0.254 17 Q C -1.103 174.855 176.000 -0.070 0.000 0.952 17 Q CA 0.052 55.806 55.803 -0.081 0.000 0.884 17 Q CB 1.576 30.284 28.738 -0.050 0.000 1.224 17 Q HN 0.786 nan 8.270 nan 0.000 0.422 18 L N 1.127 122.317 121.223 -0.054 0.000 2.381 18 L HA 0.471 4.809 4.340 -0.004 0.000 0.268 18 L C -0.117 176.722 176.870 -0.053 0.000 0.997 18 L CA -0.823 53.983 54.840 -0.056 0.000 0.818 18 L CB 2.182 44.207 42.059 -0.056 0.000 1.310 18 L HN 0.410 nan 8.230 nan 0.000 0.416 19 T N 2.168 116.690 114.554 -0.054 0.000 2.771 19 T HA 0.569 4.917 4.350 -0.004 0.000 0.291 19 T C -0.265 174.381 174.700 -0.091 0.000 0.954 19 T CA -0.403 61.670 62.100 -0.045 0.000 1.045 19 T CB 1.345 70.201 68.868 -0.020 0.000 0.917 19 T HN 0.270 nan 8.240 nan 0.000 0.484 20 V N 3.835 123.683 119.914 -0.110 0.000 2.612 20 V HA 0.358 4.476 4.120 -0.004 0.000 0.301 20 V C -0.272 175.740 176.094 -0.136 0.000 1.059 20 V CA -1.284 60.852 62.300 -0.273 0.000 0.886 20 V CB 0.814 32.392 31.823 -0.408 0.000 1.007 20 V HN 1.051 nan 8.190 nan 0.000 0.426 21 F N 3.227 123.235 119.950 0.097 0.000 2.783 21 F HA -0.220 4.305 4.527 -0.004 0.000 0.222 21 F C 1.647 177.478 175.800 0.051 0.000 1.028 21 F CA 0.809 58.852 58.000 0.072 0.000 0.862 21 F CB -1.127 37.918 39.000 0.076 0.000 0.744 21 F HN 1.112 nan 8.300 nan 0.000 0.850 22 G N -0.238 108.668 108.800 0.177 0.000 2.179 22 G HA2 0.014 3.972 3.960 -0.004 0.000 0.257 22 G HA3 0.014 3.972 3.960 -0.004 0.000 0.257 22 G C 0.440 175.396 174.900 0.093 0.000 1.010 22 G CA 0.205 45.373 45.100 0.114 0.000 0.736 22 G HN 1.482 nan 8.290 nan 0.000 0.513 23 G N -2.394 106.457 108.800 0.085 0.000 2.975 23 G HA2 0.822 4.779 3.960 -0.004 0.000 0.291 23 G HA3 0.822 4.779 3.960 -0.004 0.000 0.291 23 G C -0.906 174.015 174.900 0.035 0.000 1.334 23 G CA 0.374 45.514 45.100 0.067 0.000 0.843 23 G HN 0.729 nan 8.290 nan 0.000 0.548 24 T N -0.411 114.163 114.554 0.034 0.000 2.893 24 T HA 0.626 4.973 4.350 -0.004 0.000 0.293 24 T C -0.989 173.727 174.700 0.028 0.000 1.027 24 T CA -0.299 61.812 62.100 0.018 0.000 0.988 24 T CB 1.950 70.831 68.868 0.022 0.000 1.043 24 T HN 0.437 nan 8.240 nan 0.000 0.461 25 V N 2.526 122.449 119.914 0.016 0.000 2.656 25 V HA 0.536 4.653 4.120 -0.004 0.000 0.307 25 V C -0.057 176.063 176.094 0.042 0.000 1.051 25 V CA -0.839 61.494 62.300 0.055 0.000 0.893 25 V CB 2.342 34.200 31.823 0.059 0.000 0.999 25 V HN 1.021 nan 8.190 nan 0.000 0.426 26 T N 3.801 118.394 114.554 0.065 0.000 2.767 26 T HA 0.702 5.049 4.350 -0.004 0.000 0.288 26 T C -0.015 174.626 174.700 -0.098 0.000 0.963 26 T CA -0.257 61.816 62.100 -0.046 0.000 1.019 26 T CB 1.386 70.246 68.868 -0.014 0.000 0.923 26 T HN 0.934 nan 8.240 nan 0.000 0.468 27 A N 3.129 125.757 122.820 -0.320 0.000 2.331 27 A HA 0.783 5.101 4.320 -0.004 0.000 0.320 27 A C -0.974 176.247 177.584 -0.605 0.000 1.138 27 A CA -0.741 51.032 52.037 -0.440 0.000 0.790 27 A CB 0.466 19.229 19.000 -0.395 0.000 1.206 27 A HN 0.763 nan 8.150 nan 0.000 0.470 28 F N 2.750 122.521 119.950 -0.299 0.000 2.382 28 F HA 0.435 4.959 4.527 -0.004 0.000 0.361 28 F C -0.153 175.459 175.800 -0.313 0.000 1.109 28 F CA -0.302 57.600 58.000 -0.162 0.000 1.031 28 F CB 1.417 40.434 39.000 0.027 0.000 1.234 28 F HN 0.333 nan 8.300 nan 0.000 0.445 29 L N 3.025 124.152 121.223 -0.161 0.000 2.287 29 L HA 0.617 4.955 4.340 -0.004 0.000 0.287 29 L C 0.711 177.566 176.870 -0.025 0.000 1.022 29 L CA -0.816 53.866 54.840 -0.263 0.000 0.814 29 L CB 1.465 43.229 42.059 -0.491 0.000 1.217 29 L HN 0.876 nan 8.230 nan 0.000 0.420 30 G N 4.033 112.857 108.800 0.040 0.000 2.341 30 G HA2 -0.230 3.728 3.960 -0.004 0.000 0.278 30 G HA3 -0.230 3.728 3.960 -0.004 0.000 0.278 30 G C -0.314 174.769 174.900 0.305 0.000 1.111 30 G CA -0.461 44.738 45.100 0.165 0.000 0.982 30 G HN 0.510 nan 8.290 nan 0.000 0.502 31 I N 1.777 122.412 120.570 0.107 0.000 2.395 31 I HA 0.308 4.476 4.170 -0.004 0.000 0.289 31 I C -1.402 174.586 176.117 -0.216 0.000 1.023 31 I CA -2.412 58.800 61.300 -0.145 0.000 1.350 31 I CB 1.354 39.228 38.000 -0.210 0.000 1.409 31 I HN 0.018 nan 8.210 nan 0.000 0.507 32 P HA 0.054 nan 4.420 nan 0.000 0.274 32 P C -0.777 176.302 177.300 -0.369 0.000 1.231 32 P CA 0.153 62.845 63.100 -0.679 0.000 0.790 32 P CB 0.469 31.646 31.700 -0.871 0.000 0.951 33 Y N -0.098 119.957 120.300 -0.409 0.000 2.563 33 Y HA 0.763 5.311 4.550 -0.004 0.000 0.250 33 Y C -0.183 175.667 175.900 -0.083 0.000 1.126 33 Y CA -0.628 57.342 58.100 -0.217 0.000 1.231 33 Y CB 0.209 38.491 38.460 -0.297 0.000 1.288 33 Y HN 0.503 nan 8.280 nan 0.000 0.537 34 A N 0.443 123.049 122.820 -0.356 0.000 2.599 34 A HA 0.423 4.741 4.320 -0.004 0.000 0.290 34 A C -1.320 176.123 177.584 -0.236 0.000 1.101 34 A CA -1.065 50.838 52.037 -0.223 0.000 0.674 34 A CB 0.985 19.821 19.000 -0.272 0.000 1.277 34 A HN 0.209 nan 8.150 nan 0.000 0.419 35 Q N 0.732 120.455 119.800 -0.129 0.000 2.300 35 Q HA 0.195 4.532 4.340 -0.004 0.000 0.280 35 Q C -2.141 173.770 176.000 -0.147 0.000 1.033 35 Q CA -1.087 54.652 55.803 -0.107 0.000 0.903 35 Q CB 0.016 28.720 28.738 -0.057 0.000 1.195 35 Q HN 0.319 nan 8.270 nan 0.000 0.386 36 P HA -0.057 nan 4.420 nan 0.000 0.260 36 P C -2.299 174.948 177.300 -0.087 0.000 1.172 36 P CA -0.565 62.470 63.100 -0.107 0.000 0.760 36 P CB 0.009 31.686 31.700 -0.039 0.000 0.773 37 P HA 0.129 nan 4.420 nan 0.000 0.218 37 P C -0.709 176.529 177.300 -0.103 0.000 1.793 37 P CA 0.281 63.324 63.100 -0.096 0.000 0.941 37 P CB -0.035 31.602 31.700 -0.104 0.000 1.919 38 L N -0.819 120.355 121.223 -0.081 0.000 2.332 38 L HA 0.751 5.088 4.340 -0.004 0.000 0.269 38 L C 1.504 178.333 176.870 -0.069 0.000 1.016 38 L CA -0.540 54.252 54.840 -0.080 0.000 0.809 38 L CB 0.754 42.783 42.059 -0.051 0.000 1.280 38 L HN 0.283 nan 8.230 nan 0.000 0.447 39 G N 1.607 110.365 108.800 -0.070 0.000 2.565 39 G HA2 -0.374 3.583 3.960 -0.004 0.000 0.295 39 G HA3 -0.374 3.583 3.960 -0.004 0.000 0.295 39 G C 0.791 175.664 174.900 -0.046 0.000 1.165 39 G CA 0.688 45.759 45.100 -0.047 0.000 0.977 39 G HN 0.955 nan 8.290 nan 0.000 0.546 40 R N 1.165 121.649 120.500 -0.027 0.000 2.316 40 R HA 0.304 4.642 4.340 -0.004 0.000 0.202 40 R C 2.198 178.487 176.300 -0.018 0.000 1.029 40 R CA 1.627 57.720 56.100 -0.013 0.000 1.018 40 R CB -0.304 29.994 30.300 -0.003 0.000 0.888 40 R HN 0.505 nan 8.270 nan 0.000 0.471 41 L N 0.453 121.651 121.223 -0.042 0.000 2.585 41 L HA 0.205 4.543 4.340 -0.004 0.000 0.226 41 L C 1.164 177.983 176.870 -0.084 0.000 1.113 41 L CA -0.354 54.457 54.840 -0.049 0.000 0.876 41 L CB -0.089 41.939 42.059 -0.052 0.000 1.072 41 L HN 0.119 nan 8.230 nan 0.000 0.468 42 R N 0.774 121.184 120.500 -0.151 0.000 2.504 42 R HA -0.096 4.241 4.340 -0.004 0.000 0.291 42 R C -0.061 176.102 176.300 -0.229 0.000 0.974 42 R CA 0.509 56.406 56.100 -0.339 0.000 1.077 42 R CB 0.089 30.050 30.300 -0.565 0.000 0.926 42 R HN 0.137 nan 8.270 nan 0.000 0.407 43 F N 0.126 120.043 119.950 -0.054 0.000 2.397 43 F HA -0.285 4.240 4.527 -0.004 0.000 0.438 43 F C 0.116 175.883 175.800 -0.055 0.000 0.555 43 F CA 0.852 58.816 58.000 -0.060 0.000 1.561 43 F CB -1.380 37.589 39.000 -0.052 0.000 2.188 43 F HN 0.553 nan 8.300 nan 0.000 0.267 44 K N 1.457 121.909 120.400 0.085 0.000 2.098 44 K HA 0.438 4.755 4.320 -0.004 0.000 0.257 44 K C 0.482 177.073 176.600 -0.016 0.000 0.999 44 K CA -0.928 55.372 56.287 0.022 0.000 0.924 44 K CB 0.833 33.332 32.500 -0.002 0.000 1.028 44 K HN -0.005 nan 8.250 nan 0.000 0.466 45 K N 2.139 122.503 120.400 -0.060 0.000 2.494 45 K HA -0.017 4.300 4.320 -0.004 0.000 0.273 45 K C -2.166 174.399 176.600 -0.059 0.000 0.970 45 K CA -0.884 55.340 56.287 -0.105 0.000 0.963 45 K CB -0.058 32.275 32.500 -0.278 0.000 0.913 45 K HN 0.373 nan 8.250 nan 0.000 0.502 46 P HA -0.004 nan 4.420 nan 0.000 0.271 46 P C -1.056 176.236 177.300 -0.013 0.000 1.216 46 P CA 0.024 63.120 63.100 -0.007 0.000 0.771 46 P CB 0.818 32.553 31.700 0.060 0.000 0.864 47 Q N 0.962 120.746 119.800 -0.026 0.000 2.215 47 Q HA 0.350 4.688 4.340 -0.004 0.000 0.256 47 Q C 0.545 176.547 176.000 0.003 0.000 0.972 47 Q CA -0.591 55.203 55.803 -0.015 0.000 0.889 47 Q CB 1.261 29.986 28.738 -0.022 0.000 1.281 47 Q HN 0.558 nan 8.270 nan 0.000 0.456 48 S N 0.553 116.266 115.700 0.021 0.000 2.603 48 S HA 0.368 4.835 4.470 -0.004 0.000 0.268 48 S C -0.015 174.607 174.600 0.038 0.000 1.317 48 S CA -0.746 57.482 58.200 0.045 0.000 1.012 48 S CB 0.548 63.778 63.200 0.051 0.000 0.926 48 S HN 0.447 nan 8.310 nan 0.000 0.539 49 L N 2.441 123.701 121.223 0.063 0.000 2.312 49 L HA 0.427 4.765 4.340 -0.004 0.000 0.281 49 L C 0.180 177.095 176.870 0.076 0.000 1.070 49 L CA 0.178 55.062 54.840 0.074 0.000 0.805 49 L CB 0.969 43.099 42.059 0.117 0.000 1.174 49 L HN 0.978 nan 8.230 nan 0.000 0.434 50 T N 4.157 118.763 114.554 0.087 0.000 2.851 50 T HA 0.215 4.563 4.350 -0.004 0.000 0.298 50 T C -0.004 174.764 174.700 0.114 0.000 0.977 50 T CA -0.925 61.223 62.100 0.080 0.000 1.126 50 T CB 0.150 69.069 68.868 0.084 0.000 0.916 50 T HN 0.528 nan 8.240 nan 0.000 0.529 51 K N 2.056 122.468 120.400 0.019 0.000 2.543 51 K HA -0.084 4.233 4.320 -0.004 0.000 0.279 51 K C -0.459 176.184 176.600 0.071 0.000 1.001 51 K CA 0.027 56.268 56.287 -0.078 0.000 1.088 51 K CB -0.130 32.306 32.500 -0.106 0.000 0.863 51 K HN 0.900 nan 8.250 nan 0.000 0.488 52 W N 1.071 122.412 121.300 0.067 0.000 2.520 52 W HA 0.486 5.143 4.660 -0.004 0.000 0.323 52 W C -0.605 175.966 176.519 0.087 0.000 1.062 52 W CA -1.185 56.217 57.345 0.094 0.000 1.215 52 W CB 1.029 30.581 29.460 0.154 0.000 1.340 52 W HN 0.487 nan 8.180 nan 0.000 0.516 53 S N 3.167 119.008 115.700 0.235 0.000 2.462 53 S HA 0.625 5.093 4.470 -0.004 0.000 0.294 53 S C -1.191 173.592 174.600 0.305 0.000 1.144 53 S CA 0.006 58.322 58.200 0.193 0.000 1.088 53 S CB 0.266 63.528 63.200 0.103 0.000 1.009 53 S HN 0.566 nan 8.310 nan 0.000 0.484 54 D N 1.519 122.115 120.400 0.327 0.000 3.109 54 D HA 0.037 4.675 4.640 -0.004 0.000 0.266 54 D C -1.319 175.226 176.300 0.409 0.000 0.926 54 D CA -0.349 53.865 54.000 0.357 0.000 0.838 54 D CB 0.096 41.189 40.800 0.488 0.000 3.234 54 D HN 0.471 nan 8.370 nan 0.000 0.507 55 I N 1.834 122.562 120.570 0.263 0.000 2.291 55 I HA 0.168 4.336 4.170 -0.004 0.000 0.292 55 I C 0.373 176.627 176.117 0.228 0.000 1.064 55 I CA -0.577 60.893 61.300 0.282 0.000 1.269 55 I CB 0.558 38.663 38.000 0.176 0.000 1.418 55 I HN 0.262 nan 8.210 nan 0.000 0.485 56 W N 7.522 128.882 121.300 0.100 0.000 2.303 56 W HA 0.099 4.757 4.660 -0.004 0.000 0.318 56 W C -0.408 176.125 176.519 0.023 0.000 1.362 56 W CA -0.121 57.153 57.345 -0.118 0.000 1.234 56 W CB 0.585 29.778 29.460 -0.445 0.000 1.248 56 W HN 0.461 nan 8.180 nan 0.000 0.546 57 N N 4.919 123.377 118.700 -0.403 0.000 2.602 57 N HA 0.248 4.985 4.740 -0.004 0.000 0.238 57 N C -0.035 175.435 175.510 -0.065 0.000 1.084 57 N CA 0.015 52.957 53.050 -0.179 0.000 0.952 57 N CB 1.044 39.357 38.487 -0.291 0.000 1.244 57 N HN 0.375 nan 8.380 nan 0.000 0.512 58 A N 1.680 124.668 122.820 0.281 0.000 3.118 58 A HA 0.197 4.514 4.320 -0.004 0.000 0.256 58 A C 0.973 178.592 177.584 0.057 0.000 1.667 58 A CA -0.355 51.871 52.037 0.315 0.000 1.338 58 A CB -0.747 18.546 19.000 0.489 0.000 1.127 58 A HN 0.508 nan 8.150 nan 0.000 0.634 59 T N -2.506 112.021 114.554 -0.044 0.000 3.091 59 T HA 0.306 4.654 4.350 -0.004 0.000 0.277 59 T C 0.184 174.793 174.700 -0.153 0.000 0.996 59 T CA -0.153 61.873 62.100 -0.123 0.000 0.897 59 T CB -0.339 68.462 68.868 -0.112 0.000 1.109 59 T HN 0.677 nan 8.240 nan 0.000 0.534 60 K N 0.275 120.592 120.400 -0.140 0.000 2.523 60 K HA 0.449 4.767 4.320 -0.004 0.000 0.257 60 K C -1.542 174.999 176.600 -0.099 0.000 0.932 60 K CA -0.958 55.251 56.287 -0.131 0.000 0.812 60 K CB 1.164 33.614 32.500 -0.083 0.000 1.326 60 K HN -0.042 nan 8.250 nan 0.000 0.433 61 Y N 1.133 121.404 120.300 -0.049 0.000 2.652 61 Y HA 0.158 4.706 4.550 -0.004 0.000 0.344 61 Y C 1.056 176.902 175.900 -0.088 0.000 1.254 61 Y CA 0.897 58.972 58.100 -0.042 0.000 1.480 61 Y CB 0.540 38.993 38.460 -0.011 0.000 1.345 61 Y HN 0.796 nan 8.280 nan 0.000 0.617 62 A N 1.788 124.649 122.820 0.068 0.000 2.326 62 A HA 0.455 4.773 4.320 -0.004 0.000 0.303 62 A C -0.332 177.185 177.584 -0.111 0.000 1.164 62 A CA -1.118 50.814 52.037 -0.174 0.000 0.929 62 A CB 0.290 18.958 19.000 -0.554 0.000 1.363 62 A HN 0.761 nan 8.150 nan 0.000 0.498 63 N N 1.090 119.686 118.700 -0.175 0.000 2.356 63 N HA 0.082 4.820 4.740 -0.004 0.000 0.252 63 N C 0.013 175.526 175.510 0.005 0.000 1.241 63 N CA 0.459 53.473 53.050 -0.060 0.000 0.861 63 N CB 0.233 38.702 38.487 -0.030 0.000 1.075 63 N HN 0.495 nan 8.380 nan 0.000 0.461 64 S N 1.028 116.723 115.700 -0.009 0.000 2.585 64 S HA 0.173 4.641 4.470 -0.004 0.000 0.273 64 S C 0.516 175.124 174.600 0.013 0.000 1.339 64 S CA -0.685 57.510 58.200 -0.009 0.000 1.028 64 S CB 0.591 63.756 63.200 -0.058 0.000 0.906 64 S HN 0.499 nan 8.310 nan 0.000 0.528 65 c N 1.848 120.461 118.600 0.021 0.000 2.689 65 c HA 0.181 4.749 4.570 -0.004 0.000 0.409 65 c C 1.204 175.300 174.090 0.011 0.000 1.293 65 c CA -1.091 55.252 56.329 0.025 0.000 2.136 65 c CB -0.870 41.662 42.510 0.036 0.000 2.719 65 c HN 0.834 nan 8.230 nan 0.000 0.644 66 C N 3.631 122.938 119.300 0.011 0.000 2.465 66 C HA 0.322 4.779 4.460 -0.004 0.000 0.402 66 C C 0.367 175.376 174.990 0.030 0.000 1.448 66 C CA 0.355 59.381 59.018 0.013 0.000 1.589 66 C CB -1.997 25.744 27.740 0.002 0.000 2.535 66 C HN 0.965 nan 8.230 nan 0.000 0.600 67 Q N 2.389 122.208 119.800 0.032 0.000 2.545 67 Q HA 0.334 4.672 4.340 -0.004 0.000 0.273 67 Q C -1.489 174.538 176.000 0.046 0.000 0.975 67 Q CA -0.824 55.009 55.803 0.050 0.000 0.876 67 Q CB 0.771 29.536 28.738 0.045 0.000 1.472 67 Q HN 0.632 nan 8.270 nan 0.000 0.389 68 N N 0.971 119.705 118.700 0.057 0.000 2.479 68 N HA 0.346 5.083 4.740 -0.004 0.000 0.257 68 N C -0.872 174.670 175.510 0.053 0.000 1.232 68 N CA 0.194 53.274 53.050 0.050 0.000 0.920 68 N CB 0.598 39.112 38.487 0.045 0.000 1.105 68 N HN 0.468 nan 8.380 nan 0.000 0.444 69 I N 0.579 121.180 120.570 0.052 0.000 2.493 69 I HA 0.041 4.209 4.170 -0.004 0.000 0.298 69 I C 0.213 176.381 176.117 0.085 0.000 0.998 69 I CA -0.669 60.669 61.300 0.064 0.000 1.137 69 I CB 1.361 39.391 38.000 0.050 0.000 1.310 69 I HN 0.336 nan 8.210 nan 0.000 0.445 70 D N 5.015 125.489 120.400 0.123 0.000 2.367 70 D HA 0.058 4.695 4.640 -0.004 0.000 0.255 70 D C 0.156 176.556 176.300 0.166 0.000 1.300 70 D CA 0.299 54.407 54.000 0.179 0.000 0.959 70 D CB 0.546 41.508 40.800 0.270 0.000 1.064 70 D HN 0.447 nan 8.370 nan 0.000 0.509 71 Q N 1.635 121.499 119.800 0.108 0.000 2.222 71 Q HA 0.103 4.440 4.340 -0.004 0.000 0.206 71 Q C 1.397 177.391 176.000 -0.010 0.000 0.877 71 Q CA -0.176 55.664 55.803 0.061 0.000 0.958 71 Q CB 0.490 29.249 28.738 0.036 0.000 1.075 71 Q HN 0.318 nan 8.270 nan 0.000 0.483 72 S N 0.423 116.094 115.700 -0.049 0.000 2.383 72 S HA -0.025 4.443 4.470 -0.004 0.000 0.227 72 S C 0.241 174.384 174.600 -0.763 0.000 1.026 72 S CA 0.922 58.857 58.200 -0.442 0.000 0.981 72 S CB 0.112 62.928 63.200 -0.640 0.000 0.818 72 S HN 0.337 nan 8.310 nan 0.000 0.472 73 F N 1.886 121.902 119.950 0.111 0.000 2.523 73 F HA 0.401 4.925 4.527 -0.004 0.000 0.322 73 F C -2.816 173.050 175.800 0.110 0.000 1.361 73 F CA -2.932 55.114 58.000 0.077 0.000 1.151 73 F CB 0.203 39.253 39.000 0.084 0.000 1.391 73 F HN -0.118 nan 8.300 nan 0.000 0.566 74 P HA 0.139 nan 4.420 nan 0.000 0.264 74 P C 1.041 178.427 177.300 0.143 0.000 1.183 74 P CA 0.982 64.161 63.100 0.131 0.000 0.763 74 P CB 0.908 32.651 31.700 0.071 0.000 0.807 75 G N 1.623 110.498 108.800 0.125 0.000 2.179 75 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.260 75 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.260 75 G C -0.264 174.731 174.900 0.157 0.000 0.977 75 G CA -0.256 44.909 45.100 0.107 0.000 0.641 75 G HN 0.545 nan 8.290 nan 0.000 0.533 76 F N 1.354 121.306 119.950 0.003 0.000 2.388 76 F HA 0.700 5.225 4.527 -0.004 0.000 0.358 76 F C 1.172 176.918 175.800 -0.090 0.000 1.122 76 F CA -1.337 56.615 58.000 -0.079 0.000 1.056 76 F CB 1.083 39.995 39.000 -0.147 0.000 1.155 76 F HN 0.120 nan 8.300 nan 0.000 0.461 77 H N 3.846 122.536 119.070 -0.635 0.000 2.457 77 H HA -0.010 4.544 4.556 -0.004 0.000 0.297 77 H C 2.080 176.909 175.328 -0.830 0.000 1.092 77 H CA 1.976 57.654 56.048 -0.617 0.000 1.309 77 H CB -0.042 29.438 29.762 -0.470 0.000 1.382 77 H HN 0.817 nan 8.280 nan 0.000 0.535 78 G N -1.037 106.652 108.800 -1.853 0.000 2.418 78 G HA2 -0.285 3.672 3.960 -0.004 0.000 0.217 78 G HA3 -0.285 3.672 3.960 -0.004 0.000 0.217 78 G C 1.869 176.645 174.900 -0.208 0.000 1.158 78 G CA 1.246 45.432 45.100 -1.524 0.000 0.771 78 G HN 0.580 nan 8.290 nan 0.000 0.545 79 S N -0.287 115.361 115.700 -0.087 0.000 2.502 79 S HA 0.138 4.606 4.470 -0.004 0.000 0.228 79 S C 1.848 176.622 174.600 0.289 0.000 1.061 79 S CA 0.733 59.252 58.200 0.531 0.000 0.935 79 S CB -0.070 63.592 63.200 0.769 0.000 0.809 79 S HN 0.438 nan 8.310 nan 0.000 0.510 80 E N 2.135 122.353 120.200 0.030 0.000 2.268 80 E HA -0.059 4.289 4.350 -0.004 0.000 0.195 80 E C 2.040 178.514 176.600 -0.210 0.000 0.995 80 E CA 1.216 57.597 56.400 -0.033 0.000 0.836 80 E CB -0.453 29.232 29.700 -0.024 0.000 0.763 80 E HN 0.809 nan 8.360 nan 0.000 0.491 81 M N -1.511 117.769 119.600 -0.534 0.000 2.623 81 M HA -0.107 4.371 4.480 -0.004 0.000 0.258 81 M C 0.845 176.711 176.300 -0.723 0.000 1.067 81 M CA 1.429 56.270 55.300 -0.765 0.000 1.068 81 M CB -0.466 31.401 32.600 -1.221 0.000 1.409 81 M HN 0.068 nan 8.290 nan 0.000 0.504 82 W N 0.585 121.790 121.300 -0.159 0.000 3.013 82 W HA 0.285 4.942 4.660 -0.004 0.000 0.280 82 W C 0.316 176.773 176.519 -0.103 0.000 1.249 82 W CA -0.916 56.349 57.345 -0.133 0.000 1.577 82 W CB -0.142 29.281 29.460 -0.063 0.000 1.057 82 W HN 0.080 nan 8.180 nan 0.000 0.613 83 N N 2.200 120.957 118.700 0.095 0.000 2.479 83 N HA 0.084 4.821 4.740 -0.004 0.000 0.257 83 N C -2.370 173.118 175.510 -0.038 0.000 1.232 83 N CA -1.048 52.026 53.050 0.040 0.000 0.920 83 N CB -0.256 38.255 38.487 0.041 0.000 1.105 83 N HN -0.273 nan 8.380 nan 0.000 0.444 84 P HA 0.065 nan 4.420 nan 0.000 0.266 84 P C 0.243 177.487 177.300 -0.093 0.000 1.195 84 P CA -0.061 62.986 63.100 -0.089 0.000 0.768 84 P CB 0.367 32.026 31.700 -0.067 0.000 0.838 85 N N -0.223 118.400 118.700 -0.129 0.000 2.235 85 N HA 0.056 4.793 4.740 -0.004 0.000 0.231 85 N C -0.594 174.857 175.510 -0.100 0.000 1.177 85 N CA -0.244 52.735 53.050 -0.119 0.000 0.874 85 N CB -0.172 38.223 38.487 -0.154 0.000 1.097 85 N HN 0.369 nan 8.380 nan 0.000 0.518 86 T N -3.270 111.232 114.554 -0.086 0.000 2.906 86 T HA 0.341 4.689 4.350 -0.004 0.000 0.295 86 T C -0.651 174.021 174.700 -0.046 0.000 1.075 86 T CA -0.832 61.234 62.100 -0.056 0.000 1.005 86 T CB 1.767 70.607 68.868 -0.047 0.000 1.136 86 T HN -0.076 nan 8.240 nan 0.000 0.498 87 D N 1.368 121.745 120.400 -0.038 0.000 2.548 87 D HA 0.059 4.696 4.640 -0.004 0.000 0.231 87 D C 0.255 176.539 176.300 -0.026 0.000 1.142 87 D CA 0.501 54.483 54.000 -0.030 0.000 0.866 87 D CB 0.602 41.384 40.800 -0.030 0.000 1.190 87 D HN 0.418 nan 8.370 nan 0.000 0.469 88 L N 1.201 122.413 121.223 -0.018 0.000 2.395 88 L HA 0.364 4.702 4.340 -0.004 0.000 0.269 88 L C 0.728 177.595 176.870 -0.005 0.000 1.133 88 L CA -0.021 54.812 54.840 -0.010 0.000 0.812 88 L CB 1.160 43.215 42.059 -0.006 0.000 1.125 88 L HN 0.327 nan 8.230 nan 0.000 0.452 89 S N 0.098 115.800 115.700 0.002 0.000 2.608 89 S HA 0.116 4.583 4.470 -0.004 0.000 0.285 89 S C 0.094 174.700 174.600 0.009 0.000 1.108 89 S CA -0.672 57.531 58.200 0.005 0.000 0.858 89 S CB 1.236 64.444 63.200 0.012 0.000 1.077 89 S HN 0.762 nan 8.310 nan 0.000 0.450 90 E N 1.097 121.293 120.200 -0.007 0.000 2.268 90 E HA -0.087 4.261 4.350 -0.004 0.000 0.195 90 E C -0.155 176.445 176.600 0.000 0.000 0.995 90 E CA 0.595 56.981 56.400 -0.023 0.000 0.836 90 E CB 0.040 29.703 29.700 -0.061 0.000 0.763 90 E HN 0.537 nan 8.360 nan 0.000 0.491 91 D N 0.605 121.027 120.400 0.037 0.000 2.470 91 D HA -0.009 4.629 4.640 -0.004 0.000 0.226 91 D C -0.043 176.390 176.300 0.222 0.000 1.196 91 D CA -0.261 53.798 54.000 0.099 0.000 0.979 91 D CB -0.090 40.779 40.800 0.114 0.000 1.059 91 D HN 0.158 nan 8.370 nan 0.000 0.515 92 c N 2.504 121.215 118.600 0.186 0.000 3.722 92 c HA 0.385 4.952 4.570 -0.004 0.000 0.279 92 c C 0.445 174.677 174.090 0.236 0.000 1.819 92 c CA -0.727 55.763 56.329 0.269 0.000 1.744 92 c CB -1.294 41.291 42.510 0.126 0.000 3.247 92 c HN 0.412 nan 8.230 nan 0.000 0.549 93 L N 2.454 123.606 121.223 -0.117 0.000 2.389 93 L HA 0.466 4.803 4.340 -0.004 0.000 0.265 93 L C -0.931 175.447 176.870 -0.821 0.000 1.167 93 L CA 0.394 54.921 54.840 -0.521 0.000 1.045 93 L CB -0.499 41.108 42.059 -0.753 0.000 1.351 93 L HN 0.375 nan 8.230 nan 0.000 0.419 94 Y N 2.054 122.308 120.300 -0.077 0.000 2.581 94 Y HA 0.661 5.209 4.550 -0.004 0.000 0.345 94 Y C -0.148 175.899 175.900 0.246 0.000 1.036 94 Y CA -1.138 56.990 58.100 0.046 0.000 1.042 94 Y CB 2.122 40.601 38.460 0.030 0.000 1.289 94 Y HN 0.218 nan 8.280 nan 0.000 0.471 95 L N -0.425 120.932 121.223 0.223 0.000 2.322 95 L HA 0.775 5.112 4.340 -0.004 0.000 0.252 95 L C -1.422 175.411 176.870 -0.062 0.000 1.055 95 L CA -1.198 53.667 54.840 0.042 0.000 0.849 95 L CB 1.777 43.707 42.059 -0.214 0.000 1.446 95 L HN 0.504 nan 8.230 nan 0.000 0.416 96 N N -0.207 118.444 118.700 -0.081 0.000 2.240 96 N HA 0.760 5.498 4.740 -0.004 0.000 0.302 96 N C -1.536 173.813 175.510 -0.269 0.000 1.106 96 N CA -0.463 52.442 53.050 -0.242 0.000 0.778 96 N CB 2.922 41.194 38.487 -0.359 0.000 1.431 96 N HN 0.500 nan 8.380 nan 0.000 0.479 97 V N 1.091 120.795 119.914 -0.349 0.000 2.638 97 V HA 0.464 4.582 4.120 -0.004 0.000 0.306 97 V C -0.948 175.088 176.094 -0.097 0.000 1.052 97 V CA -0.769 61.455 62.300 -0.126 0.000 0.885 97 V CB 2.438 34.124 31.823 -0.227 0.000 0.999 97 V HN 0.580 nan 8.190 nan 0.000 0.424 98 W N 5.701 127.096 121.300 0.158 0.000 2.587 98 W HA 0.757 5.414 4.660 -0.004 0.000 0.324 98 W C -0.444 176.174 176.519 0.166 0.000 1.040 98 W CA -0.537 56.893 57.345 0.142 0.000 1.222 98 W CB 2.163 31.676 29.460 0.089 0.000 1.381 98 W HN 0.631 nan 8.180 nan 0.000 0.483 99 I N 1.679 122.481 120.570 0.387 0.000 2.785 99 I HA 0.680 4.848 4.170 -0.004 0.000 0.302 99 I C -2.494 173.767 176.117 0.241 0.000 1.069 99 I CA -2.987 58.504 61.300 0.317 0.000 1.045 99 I CB 2.270 40.495 38.000 0.375 0.000 1.236 99 I HN -0.045 nan 8.210 nan 0.000 0.429 100 P HA 0.375 nan 4.420 nan 0.000 0.276 100 P C -1.151 176.228 177.300 0.131 0.000 1.261 100 P CA -0.433 62.753 63.100 0.144 0.000 0.800 100 P CB 1.253 33.026 31.700 0.122 0.000 1.066 101 A N 1.513 124.394 122.820 0.102 0.000 2.343 101 A HA 0.685 5.002 4.320 -0.004 0.000 0.308 101 A C -2.531 175.097 177.584 0.074 0.000 1.092 101 A CA -1.533 50.555 52.037 0.085 0.000 0.751 101 A CB -0.073 18.968 19.000 0.069 0.000 1.203 101 A HN 0.346 nan 8.150 nan 0.000 0.452 102 P HA 0.238 nan 4.420 nan 0.000 0.271 102 P C -0.309 177.042 177.300 0.086 0.000 1.218 102 P CA -0.424 62.718 63.100 0.071 0.000 0.780 102 P CB 0.509 32.244 31.700 0.059 0.000 0.901 103 K N 4.227 124.685 120.400 0.096 0.000 2.511 103 K HA -0.014 4.303 4.320 -0.004 0.000 0.277 103 K C -1.813 174.845 176.600 0.096 0.000 1.025 103 K CA -0.647 55.708 56.287 0.113 0.000 1.112 103 K CB -0.358 32.208 32.500 0.110 0.000 0.859 103 K HN 0.323 nan 8.250 nan 0.000 0.485 104 P HA 0.099 nan 4.420 nan 0.000 0.277 104 P C -0.432 176.913 177.300 0.076 0.000 1.271 104 P CA -0.405 62.748 63.100 0.089 0.000 0.795 104 P CB 0.923 32.683 31.700 0.099 0.000 1.101 105 K N -0.356 120.082 120.400 0.063 0.000 2.190 105 K HA 0.075 4.392 4.320 -0.004 0.000 0.202 105 K C 0.485 177.115 176.600 0.050 0.000 1.045 105 K CA 0.910 57.228 56.287 0.051 0.000 0.976 105 K CB -0.018 32.508 32.500 0.043 0.000 0.849 105 K HN 0.359 nan 8.250 nan 0.000 0.468 106 N N 0.061 118.792 118.700 0.052 0.000 2.635 106 N HA 0.157 4.895 4.740 -0.004 0.000 0.252 106 N C -1.659 173.878 175.510 0.044 0.000 1.589 106 N CA -0.042 53.035 53.050 0.045 0.000 0.828 106 N CB 0.758 39.266 38.487 0.036 0.000 1.403 106 N HN 0.068 nan 8.380 nan 0.000 0.518 107 A N 0.157 123.010 122.820 0.056 0.000 2.407 107 A HA 0.476 4.794 4.320 -0.004 0.000 0.248 107 A C 0.556 178.160 177.584 0.032 0.000 1.082 107 A CA 0.149 52.215 52.037 0.049 0.000 0.785 107 A CB 0.081 19.126 19.000 0.075 0.000 1.020 107 A HN 0.314 nan 8.150 nan 0.000 0.489 108 T N 1.478 116.030 114.554 -0.003 0.000 2.940 108 T HA 0.356 4.704 4.350 -0.004 0.000 0.309 108 T C 0.137 174.846 174.700 0.014 0.000 1.056 108 T CA 0.153 62.239 62.100 -0.025 0.000 1.137 108 T CB 0.280 69.089 68.868 -0.098 0.000 0.976 108 T HN 0.436 nan 8.240 nan 0.000 0.547 109 V N 4.508 124.440 119.914 0.030 0.000 2.459 109 V HA 0.424 4.541 4.120 -0.004 0.000 0.295 109 V C -0.354 175.781 176.094 0.068 0.000 1.029 109 V CA -0.868 61.476 62.300 0.074 0.000 0.874 109 V CB 1.501 33.385 31.823 0.101 0.000 0.985 109 V HN 0.571 nan 8.190 nan 0.000 0.438 110 L N 5.989 127.269 121.223 0.095 0.000 2.298 110 L HA 0.560 4.898 4.340 -0.004 0.000 0.284 110 L C -0.299 176.792 176.870 0.369 0.000 1.013 110 L CA 0.171 55.071 54.840 0.099 0.000 0.824 110 L CB 1.379 43.358 42.059 -0.134 0.000 1.221 110 L HN 0.482 nan 8.230 nan 0.000 0.418 111 I N 3.101 123.922 120.570 0.417 0.000 2.328 111 I HA 0.180 4.347 4.170 -0.004 0.000 0.287 111 I C -0.604 175.800 176.117 0.478 0.000 1.012 111 I CA -0.526 61.013 61.300 0.399 0.000 1.195 111 I CB 0.952 39.049 38.000 0.162 0.000 1.350 111 I HN 0.641 nan 8.210 nan 0.000 0.464 112 W N 8.629 130.036 121.300 0.179 0.000 2.322 112 W HA 0.512 5.169 4.660 -0.005 0.000 0.307 112 W C -1.412 174.993 176.519 -0.191 0.000 1.220 112 W CA -0.538 56.629 57.345 -0.297 0.000 1.210 112 W CB 1.018 30.352 29.460 -0.209 0.000 1.223 112 W HN 0.378 nan 8.180 nan 0.000 0.511 113 I N 9.065 128.985 120.570 -1.084 0.000 2.382 113 I HA 0.094 4.262 4.170 -0.004 0.000 0.286 113 I C -0.236 175.105 176.117 -1.293 0.000 1.002 113 I CA -1.105 59.637 61.300 -0.930 0.000 1.135 113 I CB 0.813 38.441 38.000 -0.619 0.000 1.288 113 I HN 0.287 nan 8.210 nan 0.000 0.448 114 Y N 4.575 124.450 120.300 -0.708 0.000 2.314 114 Y HA 0.737 5.285 4.550 -0.004 0.000 0.334 114 Y C 0.760 176.500 175.900 -0.266 0.000 1.266 114 Y CA -0.977 56.794 58.100 -0.548 0.000 1.391 114 Y CB -0.032 38.351 38.460 -0.128 0.000 1.306 114 Y HN 0.526 nan 8.280 nan 0.000 0.558 115 G N -0.822 107.979 108.800 0.002 0.000 2.532 115 G HA2 0.480 4.437 3.960 -0.004 0.000 0.291 115 G HA3 0.480 4.437 3.960 -0.004 0.000 0.291 115 G C 0.308 175.208 174.900 0.000 0.000 1.349 115 G CA -0.856 44.193 45.100 -0.085 0.000 1.038 115 G HN 1.675 nan 8.290 nan 0.000 0.518 116 G N -2.513 106.119 108.800 -0.281 0.000 2.665 116 G HA2 0.124 4.081 3.960 -0.004 0.000 0.220 116 G HA3 0.124 4.081 3.960 -0.004 0.000 0.220 116 G C 0.199 174.946 174.900 -0.254 0.000 1.002 116 G CA 0.513 45.476 45.100 -0.228 0.000 0.893 116 G HN 1.381 nan 8.290 nan 0.000 0.586 117 H N -2.211 116.719 119.070 -0.234 0.000 2.958 117 H HA -0.259 4.295 4.556 -0.004 0.000 0.274 117 H C 1.405 176.743 175.328 0.017 0.000 1.184 117 H CA 1.155 57.076 56.048 -0.211 0.000 1.143 117 H CB -2.002 27.667 29.762 -0.155 0.000 1.297 117 H HN 1.113 nan 8.280 nan 0.000 0.356 118 F N -2.498 117.533 119.950 0.135 0.000 2.987 118 F HA -0.369 4.155 4.527 -0.005 0.000 0.309 118 F C 1.507 177.447 175.800 0.234 0.000 0.724 118 F CA 1.525 59.617 58.000 0.155 0.000 1.079 118 F CB -1.242 37.628 39.000 -0.217 0.000 1.432 118 F HN 0.388 nan 8.300 nan 0.000 0.351 119 Q N -0.628 119.366 119.800 0.324 0.000 2.350 119 Q HA 0.279 4.616 4.340 -0.004 0.000 0.225 119 Q C 1.168 177.291 176.000 0.204 0.000 0.878 119 Q CA 1.322 57.292 55.803 0.278 0.000 0.935 119 Q CB 0.868 29.736 28.738 0.216 0.000 1.099 119 Q HN 0.596 nan 8.270 nan 0.000 0.527 120 T N -3.414 111.242 114.554 0.171 0.000 2.816 120 T HA 0.775 5.122 4.350 -0.004 0.000 0.299 120 T C -0.047 174.681 174.700 0.046 0.000 1.230 120 T CA -0.315 61.840 62.100 0.092 0.000 1.007 120 T CB 2.378 71.296 68.868 0.083 0.000 1.289 120 T HN 0.305 nan 8.240 nan 0.000 0.508 121 G N -0.586 108.148 108.800 -0.109 0.000 2.357 121 G HA2 0.444 4.401 3.960 -0.004 0.000 0.643 121 G HA3 0.444 4.401 3.960 -0.004 0.000 0.643 121 G C -0.624 173.694 174.900 -0.969 0.000 1.358 121 G CA 0.050 44.926 45.100 -0.374 0.000 0.986 121 G HN 1.808 nan 8.290 nan 0.000 0.620 122 T N -1.864 111.951 114.554 -1.232 0.000 2.977 122 T HA 0.627 4.974 4.350 -0.004 0.000 0.345 122 T C 1.349 175.830 174.700 -0.366 0.000 1.562 122 T CA 0.988 62.545 62.100 -0.905 0.000 1.090 122 T CB 1.010 69.669 68.868 -0.348 0.000 1.383 122 T HN 2.106 nan 8.240 nan 0.000 0.484 123 S N 1.291 117.029 115.700 0.063 0.000 2.522 123 S HA 0.006 4.473 4.470 -0.004 0.000 0.227 123 S C 1.721 176.472 174.600 0.251 0.000 0.986 123 S CA 1.018 59.474 58.200 0.428 0.000 0.929 123 S CB -0.340 63.170 63.200 0.516 0.000 0.769 123 S HN 0.889 nan 8.310 nan 0.000 0.529 124 S N 1.101 116.740 115.700 -0.102 0.000 2.631 124 S HA 0.348 4.816 4.470 -0.004 0.000 0.217 124 S C 0.493 174.741 174.600 -0.586 0.000 0.958 124 S CA -0.619 57.169 58.200 -0.688 0.000 0.920 124 S CB -0.673 61.949 63.200 -0.962 0.000 0.776 124 S HN 0.470 nan 8.310 nan 0.000 0.517 125 L N 1.951 122.960 121.223 -0.357 0.000 2.456 125 L HA 0.190 4.527 4.340 -0.004 0.000 0.272 125 L C 2.013 178.619 176.870 -0.440 0.000 1.189 125 L CA -0.271 54.287 54.840 -0.469 0.000 0.846 125 L CB 0.149 41.760 42.059 -0.747 0.000 1.111 125 L HN 0.287 nan 8.230 nan 0.000 0.475 126 H N 2.629 121.438 119.070 -0.436 0.000 2.457 126 H HA -0.127 4.426 4.556 -0.004 0.000 0.297 126 H C 1.500 176.589 175.328 -0.398 0.000 1.092 126 H CA 1.890 57.752 56.048 -0.310 0.000 1.309 126 H CB 0.131 29.758 29.762 -0.226 0.000 1.382 126 H HN 0.442 nan 8.280 nan 0.000 0.535 127 V N -1.877 117.571 119.914 -0.776 0.000 3.573 127 V HA -0.008 4.109 4.120 -0.004 0.000 0.270 127 V C 0.632 176.109 176.094 -1.029 0.000 1.221 127 V CA 0.701 62.501 62.300 -0.834 0.000 1.163 127 V CB -0.997 30.387 31.823 -0.731 0.000 0.847 127 V HN 0.254 nan 8.190 nan 0.000 0.468 128 Y N -0.216 119.486 120.300 -0.998 0.000 2.584 128 Y HA 0.463 5.010 4.550 -0.004 0.000 0.254 128 Y C 0.817 176.077 175.900 -1.066 0.000 1.177 128 Y CA -1.947 55.177 58.100 -1.626 0.000 1.216 128 Y CB -0.489 37.461 38.460 -0.849 0.000 1.172 128 Y HN 0.229 nan 8.280 nan 0.000 0.529 129 D N 0.974 121.036 120.400 -0.563 0.000 2.363 129 D HA 0.068 4.705 4.640 -0.004 0.000 0.263 129 D C 1.321 177.221 176.300 -0.666 0.000 1.258 129 D CA 0.420 54.174 54.000 -0.410 0.000 0.907 129 D CB 1.358 42.044 40.800 -0.189 0.000 1.107 129 D HN 0.475 nan 8.370 nan 0.000 0.495 130 G N 3.630 111.542 108.800 -1.481 0.000 3.026 130 G HA2 -0.162 3.795 3.960 -0.004 0.000 0.208 130 G HA3 -0.162 3.795 3.960 -0.004 0.000 0.208 130 G C 1.373 175.666 174.900 -1.011 0.000 1.169 130 G CA 0.134 44.608 45.100 -1.044 0.000 0.788 130 G HN 0.588 nan 8.290 nan 0.000 0.533 131 K N -0.529 119.137 120.400 -1.225 0.000 2.283 131 K HA 0.039 4.357 4.320 -0.004 0.000 0.202 131 K C 1.502 177.801 176.600 -0.502 0.000 1.048 131 K CA 0.641 56.488 56.287 -0.733 0.000 0.948 131 K CB -0.306 31.830 32.500 -0.606 0.000 0.742 131 K HN 0.213 nan 8.250 nan 0.000 0.458 132 F N 1.713 121.535 119.950 -0.214 0.000 2.187 132 F HA 0.084 4.609 4.527 -0.004 0.000 0.295 132 F C 2.072 177.860 175.800 -0.020 0.000 1.091 132 F CA 0.522 58.463 58.000 -0.098 0.000 1.308 132 F CB -0.584 38.395 39.000 -0.034 0.000 1.030 132 F HN -0.151 nan 8.300 nan 0.000 0.487 133 L N -0.259 121.023 121.223 0.099 0.000 2.046 133 L HA -0.196 4.142 4.340 -0.004 0.000 0.208 133 L C 2.674 179.574 176.870 0.051 0.000 1.077 133 L CA 1.289 56.154 54.840 0.041 0.000 0.747 133 L CB -1.014 41.019 42.059 -0.044 0.000 0.896 133 L HN 0.140 nan 8.230 nan 0.000 0.432 134 A N 0.020 122.863 122.820 0.038 0.000 1.877 134 A HA -0.250 4.068 4.320 -0.004 0.000 0.216 134 A C 2.343 179.981 177.584 0.090 0.000 1.186 134 A CA 1.861 53.949 52.037 0.086 0.000 0.620 134 A CB -0.503 18.577 19.000 0.134 0.000 0.822 134 A HN 0.297 nan 8.150 nan 0.000 0.443 135 R N -0.142 120.405 120.500 0.078 0.000 2.082 135 R HA -0.110 4.228 4.340 -0.004 0.000 0.234 135 R C 1.837 178.235 176.300 0.163 0.000 1.136 135 R CA 2.503 58.672 56.100 0.115 0.000 0.935 135 R CB -1.110 29.250 30.300 0.100 0.000 0.842 135 R HN 0.254 nan 8.270 nan 0.000 0.430 136 V N 0.490 120.520 119.914 0.195 0.000 2.407 136 V HA -0.033 4.084 4.120 -0.004 0.000 0.245 136 V C 1.620 177.778 176.094 0.106 0.000 1.041 136 V CA 1.786 64.190 62.300 0.174 0.000 1.040 136 V CB -0.312 31.622 31.823 0.185 0.000 0.671 136 V HN 0.322 nan 8.190 nan 0.000 0.455 137 E N -0.366 119.886 120.200 0.086 0.000 2.498 137 E HA 0.161 4.508 4.350 -0.004 0.000 0.203 137 E C 0.277 176.913 176.600 0.059 0.000 1.013 137 E CA -0.177 56.260 56.400 0.061 0.000 0.927 137 E CB 0.309 30.031 29.700 0.036 0.000 1.012 137 E HN 0.464 nan 8.360 nan 0.000 0.482 138 R N 0.118 120.662 120.500 0.074 0.000 3.516 138 R HA -0.138 4.199 4.340 -0.004 0.000 0.271 138 R C 0.465 176.805 176.300 0.067 0.000 1.098 138 R CA 0.752 56.898 56.100 0.078 0.000 0.732 138 R CB -2.987 27.359 30.300 0.076 0.000 1.152 138 R HN 0.089 nan 8.270 nan 0.000 0.455 139 V N -2.400 117.549 119.914 0.059 0.000 2.966 139 V HA 0.677 4.795 4.120 -0.004 0.000 0.317 139 V C 1.112 177.268 176.094 0.103 0.000 1.070 139 V CA -1.138 61.194 62.300 0.053 0.000 1.008 139 V CB 2.275 34.102 31.823 0.008 0.000 1.070 139 V HN 0.157 nan 8.190 nan 0.000 0.457 140 I N 1.605 122.248 120.570 0.121 0.000 2.385 140 I HA 0.469 4.637 4.170 -0.004 0.000 0.294 140 I C -0.616 175.629 176.117 0.214 0.000 0.988 140 I CA -0.616 60.795 61.300 0.185 0.000 1.265 140 I CB 1.838 39.945 38.000 0.178 0.000 1.388 140 I HN 0.425 nan 8.210 nan 0.000 0.480 141 V N 7.135 127.242 119.914 0.323 0.000 2.495 141 V HA 0.479 4.597 4.120 -0.004 0.000 0.298 141 V C -0.168 176.247 176.094 0.535 0.000 1.031 141 V CA -0.622 61.925 62.300 0.412 0.000 0.871 141 V CB 1.992 34.039 31.823 0.373 0.000 0.988 141 V HN 0.393 nan 8.190 nan 0.000 0.432 142 V N 3.715 123.904 119.914 0.459 0.000 2.735 142 V HA 0.833 4.951 4.120 -0.004 0.000 0.310 142 V C -0.194 176.153 176.094 0.421 0.000 1.061 142 V CA -0.342 62.172 62.300 0.356 0.000 0.913 142 V CB 2.345 34.286 31.823 0.198 0.000 1.005 142 V HN 1.042 nan 8.190 nan 0.000 0.428 143 S N 4.796 120.725 115.700 0.382 0.000 2.564 143 S HA 0.911 5.379 4.470 -0.004 0.000 0.274 143 S C -0.962 173.785 174.600 0.246 0.000 1.124 143 S CA -0.818 57.612 58.200 0.385 0.000 0.869 143 S CB 2.446 66.014 63.200 0.614 0.000 1.105 143 S HN 0.970 nan 8.310 nan 0.000 0.472 144 M N 1.270 121.005 119.600 0.224 0.000 2.572 144 M HA 0.629 5.106 4.480 -0.004 0.000 0.299 144 M C -2.054 174.487 176.300 0.402 0.000 1.205 144 M CA -0.550 54.883 55.300 0.222 0.000 0.876 144 M CB 1.429 34.015 32.600 -0.024 0.000 1.728 144 M HN 0.589 nan 8.290 nan 0.000 0.458 145 N N 3.174 122.154 118.700 0.467 0.000 2.499 145 N HA 0.567 5.305 4.740 -0.004 0.000 0.281 145 N C -1.329 174.438 175.510 0.429 0.000 1.098 145 N CA 0.122 53.450 53.050 0.464 0.000 0.979 145 N CB 0.494 39.178 38.487 0.329 0.000 1.121 145 N HN 0.731 nan 8.380 nan 0.000 0.466 146 Y N -1.681 118.800 120.300 0.302 0.000 2.553 146 Y HA 0.565 5.112 4.550 -0.004 0.000 0.347 146 Y C 0.025 176.044 175.900 0.200 0.000 1.019 146 Y CA -1.377 56.835 58.100 0.186 0.000 1.032 146 Y CB 0.961 39.463 38.460 0.071 0.000 1.284 146 Y HN 0.197 nan 8.280 nan 0.000 0.466 147 R N 1.750 122.378 120.500 0.214 0.000 2.623 147 R HA 0.482 4.820 4.340 -0.004 0.000 0.271 147 R C -0.402 176.033 176.300 0.225 0.000 1.043 147 R CA -0.044 56.123 56.100 0.112 0.000 1.083 147 R CB 0.773 31.081 30.300 0.013 0.000 0.974 147 R HN 0.729 nan 8.270 nan 0.000 0.436 148 V N -0.382 119.670 119.914 0.230 0.000 3.155 148 V HA 0.883 5.000 4.120 -0.004 0.000 0.313 148 V C 0.613 176.927 176.094 0.366 0.000 1.162 148 V CA -0.233 62.329 62.300 0.437 0.000 1.048 148 V CB 1.220 33.231 31.823 0.314 0.000 1.092 148 V HN 0.983 nan 8.190 nan 0.000 0.447 149 G N 0.504 109.579 108.800 0.459 0.000 2.598 149 G HA2 0.053 4.011 3.960 -0.004 0.000 0.269 149 G HA3 0.053 4.011 3.960 -0.004 0.000 0.269 149 G C 1.017 176.041 174.900 0.206 0.000 1.289 149 G CA 1.001 46.314 45.100 0.355 0.000 0.926 149 G HN 2.263 nan 8.290 nan 0.000 0.567 150 A N -1.063 121.663 122.820 -0.157 0.000 1.908 150 A HA 0.058 4.375 4.320 -0.004 0.000 0.218 150 A C 2.701 180.233 177.584 -0.086 0.000 1.181 150 A CA 2.420 54.064 52.037 -0.656 0.000 0.627 150 A CB -0.433 18.078 19.000 -0.815 0.000 0.818 150 A HN 1.151 nan 8.150 nan 0.000 0.445 151 L N -1.037 120.214 121.223 0.046 0.000 2.261 151 L HA -0.136 4.202 4.340 -0.004 0.000 0.216 151 L C 2.460 179.354 176.870 0.040 0.000 1.114 151 L CA 0.994 55.868 54.840 0.058 0.000 0.777 151 L CB -0.306 41.723 42.059 -0.049 0.000 0.910 151 L HN 0.520 nan 8.230 nan 0.000 0.440 152 G N -2.109 106.705 108.800 0.023 0.000 2.784 152 G HA2 0.027 3.985 3.960 -0.004 0.000 0.208 152 G HA3 0.027 3.985 3.960 -0.004 0.000 0.208 152 G C 0.842 175.420 174.900 -0.537 0.000 1.120 152 G CA -0.028 44.937 45.100 -0.224 0.000 0.774 152 G HN 0.312 nan 8.290 nan 0.000 0.528 153 F N -0.521 119.479 119.950 0.084 0.000 2.899 153 F HA 0.432 4.957 4.527 -0.004 0.000 0.337 153 F C 0.364 176.213 175.800 0.082 0.000 1.129 153 F CA -0.903 57.143 58.000 0.076 0.000 1.128 153 F CB 0.461 39.511 39.000 0.083 0.000 1.154 153 F HN -0.108 nan 8.300 nan 0.000 0.531 154 L N 2.238 123.498 121.223 0.063 0.000 2.578 154 L HA 0.360 4.698 4.340 -0.004 0.000 0.279 154 L C 0.149 177.032 176.870 0.022 0.000 1.227 154 L CA 0.380 55.189 54.840 -0.051 0.000 0.900 154 L CB 0.265 42.092 42.059 -0.387 0.000 1.144 154 L HN 0.169 nan 8.230 nan 0.000 0.496 155 A N 5.597 128.461 122.820 0.073 0.000 2.393 155 A HA 0.727 5.045 4.320 -0.004 0.000 0.306 155 A C -1.449 176.144 177.584 0.014 0.000 1.050 155 A CA -0.537 51.527 52.037 0.045 0.000 0.724 155 A CB 1.366 20.418 19.000 0.086 0.000 1.248 155 A HN 0.532 nan 8.150 nan 0.000 0.424 156 L N 3.496 124.716 121.223 -0.005 0.000 2.462 156 L HA 0.423 4.761 4.340 -0.004 0.000 0.255 156 L C -2.546 174.331 176.870 0.011 0.000 1.076 156 L CA -1.963 52.874 54.840 -0.005 0.000 0.920 156 L CB 1.048 43.088 42.059 -0.032 0.000 1.214 156 L HN 0.373 nan 8.230 nan 0.000 0.472 157 P HA 0.275 nan 4.420 nan 0.000 0.264 157 P C 0.956 178.273 177.300 0.027 0.000 1.183 157 P CA 1.028 64.148 63.100 0.034 0.000 0.763 157 P CB 0.765 32.488 31.700 0.039 0.000 0.807 158 G N 2.281 111.100 108.800 0.031 0.000 2.363 158 G HA2 -0.281 3.677 3.960 -0.004 0.000 0.238 158 G HA3 -0.281 3.677 3.960 -0.004 0.000 0.238 158 G C 0.571 175.480 174.900 0.015 0.000 1.062 158 G CA -0.031 45.083 45.100 0.023 0.000 0.629 158 G HN 0.700 nan 8.290 nan 0.000 0.514 159 N N 2.418 121.125 118.700 0.011 0.000 2.399 159 N HA 0.329 5.067 4.740 -0.004 0.000 0.259 159 N C -0.914 174.597 175.510 0.003 0.000 1.160 159 N CA -1.386 51.666 53.050 0.004 0.000 0.946 159 N CB 1.403 39.890 38.487 -0.001 0.000 1.156 159 N HN 0.231 nan 8.380 nan 0.000 0.489 160 P HA -0.022 nan 4.420 nan 0.000 0.239 160 P C 0.344 177.645 177.300 0.002 0.000 1.184 160 P CA 0.611 63.706 63.100 -0.008 0.000 0.760 160 P CB 0.526 32.214 31.700 -0.020 0.000 0.884 161 E N 0.338 120.545 120.200 0.011 0.000 2.208 161 E HA 0.059 4.407 4.350 -0.004 0.000 0.193 161 E C 1.006 177.637 176.600 0.051 0.000 0.988 161 E CA 0.634 57.054 56.400 0.033 0.000 0.828 161 E CB -0.028 29.689 29.700 0.028 0.000 0.763 161 E HN 0.229 nan 8.360 nan 0.000 0.478 162 A N 1.413 124.239 122.820 0.008 0.000 3.277 162 A HA 0.281 4.599 4.320 -0.004 0.000 0.281 162 A C -2.267 175.314 177.584 -0.005 0.000 1.179 162 A CA -0.805 51.221 52.037 -0.019 0.000 0.879 162 A CB 0.737 19.637 19.000 -0.168 0.000 1.374 162 A HN -0.116 nan 8.150 nan 0.000 0.590 163 P HA 0.260 nan 4.420 nan 0.000 0.251 163 P C 0.799 178.143 177.300 0.074 0.000 1.223 163 P CA 1.335 64.460 63.100 0.042 0.000 0.796 163 P CB 0.358 32.080 31.700 0.037 0.000 1.068 164 G N 1.086 109.931 108.800 0.075 0.000 2.690 164 G HA2 -0.158 3.800 3.960 -0.004 0.000 0.686 164 G HA3 -0.158 3.800 3.960 -0.004 0.000 0.686 164 G C -0.169 174.800 174.900 0.115 0.000 1.277 164 G CA -0.329 44.835 45.100 0.106 0.000 0.799 164 G HN 0.103 nan 8.290 nan 0.000 0.613 165 N N -1.396 117.354 118.700 0.084 0.000 2.800 165 N HA -0.212 4.526 4.740 -0.004 0.000 0.250 165 N C 1.562 176.973 175.510 -0.165 0.000 1.078 165 N CA 2.015 55.032 53.050 -0.055 0.000 0.804 165 N CB -1.268 37.165 38.487 -0.089 0.000 1.135 165 N HN 0.733 nan 8.380 nan 0.000 0.565 166 M N -0.543 118.945 119.600 -0.186 0.000 2.108 166 M HA -0.001 4.476 4.480 -0.004 0.000 0.261 166 M C 2.401 178.568 176.300 -0.221 0.000 1.066 166 M CA 2.251 57.497 55.300 -0.091 0.000 1.107 166 M CB -0.581 31.959 32.600 -0.100 0.000 1.356 166 M HN 0.328 nan 8.290 nan 0.000 0.406 167 G N -0.194 108.209 108.800 -0.662 0.000 2.422 167 G HA2 -0.129 3.829 3.960 -0.004 0.000 0.218 167 G HA3 -0.129 3.829 3.960 -0.004 0.000 0.218 167 G C 1.571 176.323 174.900 -0.247 0.000 1.146 167 G CA 0.712 45.582 45.100 -0.382 0.000 0.769 167 G HN 0.409 nan 8.290 nan 0.000 0.547 168 L N -0.877 120.096 121.223 -0.417 0.000 2.093 168 L HA 0.067 4.404 4.340 -0.004 0.000 0.208 168 L C 2.643 179.251 176.870 -0.435 0.000 1.085 168 L CA 0.728 55.199 54.840 -0.616 0.000 0.755 168 L CB -0.416 40.867 42.059 -1.293 0.000 0.904 168 L HN 0.151 nan 8.230 nan 0.000 0.435 169 F N 0.320 120.144 119.950 -0.210 0.000 2.171 169 F HA -0.220 4.305 4.527 -0.004 0.000 0.300 169 F C 2.300 178.149 175.800 0.081 0.000 1.090 169 F CA 0.973 58.985 58.000 0.021 0.000 1.293 169 F CB -0.336 38.681 39.000 0.029 0.000 1.013 169 F HN 0.126 nan 8.300 nan 0.000 0.486 170 D N 0.311 120.847 120.400 0.227 0.000 2.127 170 D HA -0.240 4.398 4.640 -0.004 0.000 0.190 170 D C 2.133 178.581 176.300 0.246 0.000 1.000 170 D CA 1.603 55.779 54.000 0.293 0.000 0.839 170 D CB -0.768 40.200 40.800 0.280 0.000 0.955 170 D HN 0.354 nan 8.370 nan 0.000 0.446 171 Q N 0.128 119.984 119.800 0.092 0.000 2.112 171 Q HA -0.221 4.116 4.340 -0.004 0.000 0.206 171 Q C 2.277 178.297 176.000 0.034 0.000 0.987 171 Q CA 1.443 57.237 55.803 -0.015 0.000 0.858 171 Q CB -0.171 28.516 28.738 -0.085 0.000 0.905 171 Q HN 0.395 nan 8.270 nan 0.000 0.420 172 Q N 0.295 120.219 119.800 0.206 0.000 2.050 172 Q HA -0.191 4.147 4.340 -0.004 0.000 0.202 172 Q C 2.042 178.150 176.000 0.181 0.000 0.980 172 Q CA 1.033 56.988 55.803 0.254 0.000 0.840 172 Q CB -0.056 28.925 28.738 0.405 0.000 0.898 172 Q HN 0.308 nan 8.270 nan 0.000 0.424 173 L N 0.294 121.649 121.223 0.221 0.000 2.131 173 L HA -0.102 4.236 4.340 -0.004 0.000 0.210 173 L C 2.067 179.000 176.870 0.106 0.000 1.092 173 L CA 1.937 56.911 54.840 0.225 0.000 0.759 173 L CB -0.602 41.651 42.059 0.322 0.000 0.903 173 L HN 0.252 nan 8.230 nan 0.000 0.435 174 A N -0.617 122.106 122.820 -0.162 0.000 1.898 174 A HA -0.116 4.201 4.320 -0.004 0.000 0.216 174 A C 2.162 179.701 177.584 -0.076 0.000 1.181 174 A CA 1.660 53.436 52.037 -0.436 0.000 0.620 174 A CB -0.754 17.765 19.000 -0.802 0.000 0.819 174 A HN 0.475 nan 8.150 nan 0.000 0.442 175 L N -1.053 120.146 121.223 -0.040 0.000 2.042 175 L HA -0.272 4.065 4.340 -0.004 0.000 0.210 175 L C 2.805 179.739 176.870 0.106 0.000 1.076 175 L CA 1.843 56.702 54.840 0.031 0.000 0.749 175 L CB -0.943 41.112 42.059 -0.007 0.000 0.893 175 L HN 0.461 nan 8.230 nan 0.000 0.432 176 Q N -0.416 119.456 119.800 0.120 0.000 2.096 176 Q HA -0.291 4.046 4.340 -0.004 0.000 0.208 176 Q C 2.111 178.193 176.000 0.136 0.000 0.993 176 Q CA 2.485 58.364 55.803 0.126 0.000 0.862 176 Q CB -0.328 28.494 28.738 0.141 0.000 0.915 176 Q HN 0.568 nan 8.270 nan 0.000 0.416 177 W N -0.350 120.946 121.300 -0.006 0.000 2.358 177 W HA -0.218 4.439 4.660 -0.004 0.000 0.303 177 W C 1.755 178.269 176.519 -0.009 0.000 1.208 177 W CA 1.396 58.739 57.345 -0.003 0.000 1.274 177 W CB -0.117 29.329 29.460 -0.022 0.000 1.138 177 W HN -0.071 nan 8.180 nan 0.000 0.515 178 V N 0.989 121.107 119.914 0.339 0.000 2.343 178 V HA -0.341 3.776 4.120 -0.004 0.000 0.247 178 V C 2.554 178.650 176.094 0.003 0.000 1.051 178 V CA 2.032 64.448 62.300 0.193 0.000 1.036 178 V CB -1.070 30.882 31.823 0.214 0.000 0.654 178 V HN 0.210 nan 8.190 nan 0.000 0.451 179 Q N 0.404 120.217 119.800 0.022 0.000 2.030 179 Q HA -0.208 4.129 4.340 -0.004 0.000 0.204 179 Q C 2.285 178.239 176.000 -0.077 0.000 0.986 179 Q CA 1.667 57.465 55.803 -0.008 0.000 0.843 179 Q CB -0.406 28.346 28.738 0.022 0.000 0.904 179 Q HN 0.623 nan 8.270 nan 0.000 0.420 180 K N 0.120 120.443 120.400 -0.128 0.000 2.211 180 K HA -0.019 4.299 4.320 -0.004 0.000 0.203 180 K C 1.404 177.824 176.600 -0.301 0.000 1.050 180 K CA 0.865 57.038 56.287 -0.190 0.000 0.945 180 K CB 0.156 32.544 32.500 -0.186 0.000 0.732 180 K HN 0.213 nan 8.250 nan 0.000 0.451 181 N N -0.061 118.351 118.700 -0.481 0.000 2.239 181 N HA 0.027 4.765 4.740 -0.004 0.000 0.208 181 N C 1.387 176.736 175.510 -0.268 0.000 1.200 181 N CA 0.139 52.840 53.050 -0.580 0.000 0.895 181 N CB 0.442 38.157 38.487 -1.287 0.000 1.085 181 N HN -0.005 nan 8.380 nan 0.000 0.500 182 I N 2.196 122.661 120.570 -0.176 0.000 2.614 182 I HA -0.061 4.106 4.170 -0.004 0.000 0.258 182 I C 2.130 178.319 176.117 0.120 0.000 1.189 182 I CA 0.544 61.875 61.300 0.051 0.000 1.462 182 I CB -0.029 38.006 38.000 0.058 0.000 1.092 182 I HN 0.039 nan 8.210 nan 0.000 0.442 183 A N 0.108 122.945 122.820 0.029 0.000 2.015 183 A HA -0.044 4.273 4.320 -0.004 0.000 0.219 183 A C 2.453 180.045 177.584 0.012 0.000 1.163 183 A CA 1.387 53.438 52.037 0.024 0.000 0.646 183 A CB -0.889 18.103 19.000 -0.013 0.000 0.806 183 A HN 0.445 nan 8.150 nan 0.000 0.448 184 A N -1.297 121.508 122.820 -0.025 0.000 2.015 184 A HA 0.093 4.410 4.320 -0.004 0.000 0.219 184 A C 1.606 179.050 177.584 -0.233 0.000 1.163 184 A CA 1.046 52.990 52.037 -0.156 0.000 0.646 184 A CB -0.604 18.232 19.000 -0.273 0.000 0.806 184 A HN 0.472 nan 8.150 nan 0.000 0.448 185 F N -0.764 119.153 119.950 -0.053 0.000 2.797 185 F HA 0.335 4.860 4.527 -0.004 0.000 0.302 185 F C 1.794 177.625 175.800 0.052 0.000 1.130 185 F CA 0.737 58.737 58.000 0.001 0.000 1.387 185 F CB 0.189 39.196 39.000 0.013 0.000 1.107 185 F HN 0.353 nan 8.300 nan 0.000 0.577 186 G N 0.156 109.055 108.800 0.166 0.000 2.131 186 G HA2 -0.131 3.827 3.960 -0.004 0.000 0.223 186 G HA3 -0.131 3.827 3.960 -0.004 0.000 0.223 186 G C 0.470 175.445 174.900 0.125 0.000 0.990 186 G CA -0.292 44.885 45.100 0.127 0.000 0.671 186 G HN 0.720 nan 8.290 nan 0.000 0.521 187 G N -0.707 108.174 108.800 0.136 0.000 2.461 187 G HA2 0.525 4.482 3.960 -0.004 0.000 0.329 187 G HA3 0.525 4.482 3.960 -0.004 0.000 0.329 187 G C -0.473 174.469 174.900 0.070 0.000 1.170 187 G CA -0.401 44.765 45.100 0.110 0.000 0.935 187 G HN 0.399 nan 8.290 nan 0.000 0.492 188 N N 0.969 119.702 118.700 0.054 0.000 2.546 188 N HA 0.318 5.055 4.740 -0.004 0.000 0.238 188 N C -1.263 174.267 175.510 0.033 0.000 0.984 188 N CA -2.461 50.610 53.050 0.034 0.000 0.935 188 N CB 2.084 40.585 38.487 0.023 0.000 1.122 188 N HN 0.070 nan 8.380 nan 0.000 0.510 189 P HA -0.139 nan 4.420 nan 0.000 0.221 189 P C 0.323 177.639 177.300 0.028 0.000 1.145 189 P CA 1.201 64.318 63.100 0.029 0.000 0.795 189 P CB 0.422 32.128 31.700 0.010 0.000 0.775 190 K N -0.629 119.781 120.400 0.016 0.000 2.487 190 K HA 0.110 4.428 4.320 -0.004 0.000 0.192 190 K C 0.754 177.355 176.600 0.001 0.000 1.027 190 K CA 0.267 56.557 56.287 0.006 0.000 1.054 190 K CB 0.095 32.595 32.500 -0.000 0.000 0.824 190 K HN -0.039 nan 8.250 nan 0.000 0.510 191 S N 1.167 116.872 115.700 0.008 0.000 2.279 191 S HA 0.269 4.737 4.470 -0.004 0.000 0.176 191 S C -1.183 173.424 174.600 0.011 0.000 1.554 191 S CA -0.626 57.567 58.200 -0.011 0.000 1.242 191 S CB 0.455 63.635 63.200 -0.033 0.000 1.163 191 S HN -0.119 nan 8.310 nan 0.000 0.449 192 V N 3.542 123.484 119.914 0.047 0.000 2.531 192 V HA 0.569 4.687 4.120 -0.004 0.000 0.301 192 V C -0.053 176.118 176.094 0.129 0.000 1.034 192 V CA -0.574 61.782 62.300 0.093 0.000 0.865 192 V CB 2.060 33.967 31.823 0.139 0.000 0.995 192 V HN 0.665 nan 8.190 nan 0.000 0.424 193 T N 6.113 120.725 114.554 0.098 0.000 2.779 193 T HA 0.595 4.943 4.350 -0.004 0.000 0.280 193 T C -0.184 174.609 174.700 0.155 0.000 0.987 193 T CA -0.368 61.809 62.100 0.127 0.000 0.966 193 T CB 0.931 69.825 68.868 0.044 0.000 0.933 193 T HN 0.368 nan 8.240 nan 0.000 0.442 194 L N 4.804 126.104 121.223 0.128 0.000 2.397 194 L HA 0.609 4.947 4.340 -0.004 0.000 0.271 194 L C -0.315 176.719 176.870 0.273 0.000 1.148 194 L CA -0.572 54.311 54.840 0.071 0.000 0.825 194 L CB 0.101 41.984 42.059 -0.294 0.000 1.117 194 L HN 0.626 nan 8.230 nan 0.000 0.456 195 F N 0.338 120.296 119.950 0.012 0.000 2.631 195 F HA 0.950 5.474 4.527 -0.004 0.000 0.308 195 F C -0.339 175.390 175.800 -0.119 0.000 1.097 195 F CA -1.489 56.549 58.000 0.063 0.000 0.952 195 F CB 1.490 40.650 39.000 0.266 0.000 1.307 195 F HN 0.504 nan 8.300 nan 0.000 0.450 196 G N 0.906 109.526 108.800 -0.301 0.000 2.576 196 G HA2 0.489 4.447 3.960 -0.004 0.000 0.290 196 G HA3 0.489 4.447 3.960 -0.004 0.000 0.290 196 G C -2.561 172.068 174.900 -0.453 0.000 1.442 196 G CA -0.791 43.720 45.100 -0.982 0.000 0.792 196 G HN 0.882 nan 8.290 nan 0.000 0.491 197 E N 0.251 120.159 120.200 -0.487 0.000 2.266 197 E HA 0.640 4.987 4.350 -0.004 0.000 0.268 197 E C 0.604 177.116 176.600 -0.146 0.000 0.879 197 E CA 0.286 56.621 56.400 -0.110 0.000 0.762 197 E CB 2.136 31.914 29.700 0.130 0.000 1.199 197 E HN 0.873 nan 8.360 nan 0.000 0.422 198 S N 2.628 118.313 115.700 -0.025 0.000 4.116 198 S HA -0.386 4.081 4.470 -0.004 0.000 0.623 198 S C 1.446 176.106 174.600 0.100 0.000 1.933 198 S CA 1.969 60.226 58.200 0.096 0.000 4.224 198 S CB -1.617 61.543 63.200 -0.066 0.000 0.208 198 S HN 0.964 nan 8.310 nan 0.000 0.527 199 A N 1.047 123.768 122.820 -0.165 0.000 2.024 199 A HA 0.133 4.450 4.320 -0.004 0.000 0.220 199 A C 2.430 179.747 177.584 -0.446 0.000 1.164 199 A CA 2.497 54.252 52.037 -0.470 0.000 0.643 199 A CB -1.529 16.751 19.000 -1.199 0.000 0.806 199 A HN 1.552 nan 8.150 nan 0.000 0.451 200 G N -0.576 108.015 108.800 -0.348 0.000 2.402 200 G HA2 0.029 3.987 3.960 -0.004 0.000 0.216 200 G HA3 0.029 3.987 3.960 -0.004 0.000 0.216 200 G C 1.732 176.447 174.900 -0.308 0.000 1.162 200 G CA 1.308 46.165 45.100 -0.406 0.000 0.777 200 G HN 0.761 nan 8.290 nan 0.000 0.539 201 A N 1.231 123.924 122.820 -0.212 0.000 1.873 201 A HA 0.315 4.632 4.320 -0.004 0.000 0.215 201 A C 2.828 180.346 177.584 -0.110 0.000 1.186 201 A CA 2.164 54.117 52.037 -0.141 0.000 0.616 201 A CB -0.854 18.104 19.000 -0.070 0.000 0.823 201 A HN 0.784 nan 8.150 nan 0.000 0.442 202 A N -0.320 122.482 122.820 -0.031 0.000 1.940 202 A HA -0.111 4.207 4.320 -0.004 0.000 0.219 202 A C 2.432 180.061 177.584 0.076 0.000 1.176 202 A CA 2.189 54.231 52.037 0.009 0.000 0.631 202 A CB -0.909 18.146 19.000 0.092 0.000 0.814 202 A HN 0.464 nan 8.150 nan 0.000 0.446 203 S N -0.414 115.328 115.700 0.069 0.000 2.359 203 S HA -0.154 4.313 4.470 -0.004 0.000 0.224 203 S C 1.892 176.541 174.600 0.081 0.000 1.035 203 S CA 1.463 59.690 58.200 0.044 0.000 1.018 203 S CB -0.609 62.556 63.200 -0.059 0.000 0.876 203 S HN 0.360 nan 8.310 nan 0.000 0.448 204 V N 2.498 122.414 119.914 0.004 0.000 2.324 204 V HA -0.211 3.907 4.120 -0.004 0.000 0.250 204 V C 2.753 178.875 176.094 0.046 0.000 1.060 204 V CA 2.057 64.350 62.300 -0.011 0.000 1.042 204 V CB -1.127 30.630 31.823 -0.110 0.000 0.650 204 V HN 0.731 nan 8.190 nan 0.000 0.450 205 S N -0.295 115.400 115.700 -0.010 0.000 2.402 205 S HA -0.101 4.366 4.470 -0.004 0.000 0.229 205 S C 1.912 176.648 174.600 0.227 0.000 1.021 205 S CA 1.425 59.647 58.200 0.036 0.000 0.974 205 S CB -0.519 62.526 63.200 -0.258 0.000 0.800 205 S HN 0.534 nan 8.310 nan 0.000 0.484 206 L N 0.553 121.866 121.223 0.150 0.000 2.179 206 L HA 0.038 4.376 4.340 -0.004 0.000 0.208 206 L C 2.790 179.721 176.870 0.102 0.000 1.096 206 L CA 0.991 55.887 54.840 0.093 0.000 0.779 206 L CB -0.638 41.473 42.059 0.087 0.000 0.922 206 L HN 0.398 nan 8.230 nan 0.000 0.443 207 H N -0.020 119.169 119.070 0.197 0.000 2.456 207 H HA -0.087 4.467 4.556 -0.004 0.000 0.296 207 H C 2.320 177.890 175.328 0.404 0.000 1.079 207 H CA 1.168 57.325 56.048 0.183 0.000 1.322 207 H CB 0.094 29.857 29.762 0.000 0.000 1.388 207 H HN 0.347 nan 8.280 nan 0.000 0.538 208 L N 0.431 121.975 121.223 0.535 0.000 2.201 208 L HA -0.129 4.209 4.340 -0.004 0.000 0.212 208 L C 2.158 179.385 176.870 0.596 0.000 1.105 208 L CA 0.679 55.902 54.840 0.637 0.000 0.775 208 L CB -0.085 42.321 42.059 0.579 0.000 0.913 208 L HN 0.207 nan 8.230 nan 0.000 0.440 209 L N -2.018 119.418 121.223 0.355 0.000 2.529 209 L HA 0.088 4.426 4.340 -0.004 0.000 0.223 209 L C 1.179 178.015 176.870 -0.057 0.000 1.113 209 L CA -0.030 54.938 54.840 0.213 0.000 0.861 209 L CB 0.010 42.080 42.059 0.018 0.000 1.012 209 L HN 0.043 nan 8.230 nan 0.000 0.461 210 S N 0.429 115.974 115.700 -0.258 0.000 2.465 210 S HA 0.242 4.710 4.470 -0.004 0.000 0.279 210 S C -1.570 172.593 174.600 -0.729 0.000 1.201 210 S CA -1.419 56.393 58.200 -0.647 0.000 1.053 210 S CB 1.288 63.666 63.200 -1.370 0.000 0.953 210 S HN -0.113 nan 8.310 nan 0.000 0.488 211 P HA -0.028 nan 4.420 nan 0.000 0.216 211 P C 1.500 178.572 177.300 -0.380 0.000 1.150 211 P CA 1.029 63.738 63.100 -0.652 0.000 0.837 211 P CB -0.067 31.440 31.700 -0.322 0.000 0.786 212 G N -0.992 107.650 108.800 -0.262 0.000 2.470 212 G HA2 -0.188 3.770 3.960 -0.004 0.000 0.220 212 G HA3 -0.188 3.770 3.960 -0.004 0.000 0.220 212 G C 1.389 176.291 174.900 0.003 0.000 1.121 212 G CA 0.737 45.791 45.100 -0.078 0.000 0.766 212 G HN 0.244 nan 8.290 nan 0.000 0.553 213 S N -0.508 115.182 115.700 -0.016 0.000 2.503 213 S HA 0.087 4.554 4.470 -0.004 0.000 0.217 213 S C 1.632 176.429 174.600 0.329 0.000 0.999 213 S CA -0.124 58.222 58.200 0.242 0.000 0.914 213 S CB -0.250 63.217 63.200 0.445 0.000 0.782 213 S HN 0.632 nan 8.310 nan 0.000 0.520 214 H N 1.891 121.006 119.070 0.075 0.000 2.390 214 H HA -0.092 4.462 4.556 -0.003 0.000 0.298 214 H C 2.136 177.378 175.328 -0.144 0.000 1.106 214 H CA 1.361 57.366 56.048 -0.072 0.000 1.297 214 H CB 0.049 29.770 29.762 -0.068 0.000 1.375 214 H HN 0.493 nan 8.280 nan 0.000 0.509 215 S N 0.329 116.077 115.700 0.080 0.000 2.605 215 S HA 0.104 4.572 4.470 -0.004 0.000 0.217 215 S C 1.192 175.822 174.600 0.050 0.000 0.958 215 S CA -0.153 58.062 58.200 0.025 0.000 0.919 215 S CB -0.011 63.206 63.200 0.029 0.000 0.780 215 S HN 0.298 nan 8.310 nan 0.000 0.507 216 L N 1.030 122.333 121.223 0.133 0.000 2.728 216 L HA 0.509 4.847 4.340 -0.004 0.000 0.238 216 L C -0.218 176.857 176.870 0.342 0.000 1.143 216 L CA -0.371 54.594 54.840 0.209 0.000 0.937 216 L CB -0.169 42.030 42.059 0.233 0.000 1.225 216 L HN 0.538 nan 8.230 nan 0.000 0.507 217 F N -4.697 115.280 119.950 0.045 0.000 2.807 217 F HA 0.450 4.975 4.527 -0.004 0.000 0.316 217 F C 0.279 176.100 175.800 0.035 0.000 1.162 217 F CA -0.880 57.141 58.000 0.036 0.000 0.910 217 F CB 0.655 39.676 39.000 0.035 0.000 1.314 217 F HN -0.313 nan 8.300 nan 0.000 0.454 218 T N -0.561 114.047 114.554 0.090 0.000 3.045 218 T HA 0.411 4.758 4.350 -0.004 0.000 0.239 218 T C 0.489 175.195 174.700 0.010 0.000 1.008 218 T CA 0.398 62.472 62.100 -0.044 0.000 1.143 218 T CB 0.126 68.981 68.868 -0.023 0.000 0.894 218 T HN 0.528 nan 8.240 nan 0.000 0.451 219 R N -0.377 120.247 120.500 0.206 0.000 2.846 219 R HA 0.796 5.133 4.340 -0.004 0.000 0.263 219 R C -1.840 174.711 176.300 0.419 0.000 1.080 219 R CA -0.807 55.425 56.100 0.221 0.000 0.961 219 R CB 2.037 32.283 30.300 -0.091 0.000 1.231 219 R HN 0.286 nan 8.270 nan 0.000 0.465 220 A N 1.117 124.194 122.820 0.428 0.000 2.520 220 A HA 0.673 4.991 4.320 -0.004 0.000 0.298 220 A C -1.337 176.365 177.584 0.197 0.000 1.051 220 A CA -0.590 51.627 52.037 0.299 0.000 0.690 220 A CB 1.312 20.459 19.000 0.244 0.000 1.281 220 A HN 0.530 nan 8.150 nan 0.000 0.402 221 I N 1.938 122.561 120.570 0.090 0.000 2.466 221 I HA 0.364 4.532 4.170 -0.004 0.000 0.289 221 I C -1.465 174.657 176.117 0.008 0.000 1.026 221 I CA -0.675 60.589 61.300 -0.059 0.000 1.078 221 I CB 1.877 39.857 38.000 -0.034 0.000 1.249 221 I HN 0.406 nan 8.210 nan 0.000 0.429 222 L N 6.650 127.837 121.223 -0.060 0.000 2.318 222 L HA 0.381 4.718 4.340 -0.004 0.000 0.277 222 L C -0.284 176.593 176.870 0.012 0.000 1.008 222 L CA -0.271 54.530 54.840 -0.065 0.000 0.846 222 L CB 1.261 43.199 42.059 -0.203 0.000 1.220 222 L HN 0.496 nan 8.230 nan 0.000 0.423 223 Q N 1.867 121.739 119.800 0.119 0.000 2.322 223 Q HA 0.425 4.762 4.340 -0.004 0.000 0.256 223 Q C 0.162 176.217 176.000 0.092 0.000 0.960 223 Q CA -0.478 55.443 55.803 0.197 0.000 0.934 223 Q CB 0.954 29.889 28.738 0.327 0.000 1.200 223 Q HN 0.608 nan 8.270 nan 0.000 0.435 224 S N 1.299 117.041 115.700 0.070 0.000 3.524 224 S HA -0.141 4.327 4.470 -0.004 0.000 0.377 224 S C 0.057 174.834 174.600 0.295 0.000 0.949 224 S CA 0.457 58.740 58.200 0.139 0.000 1.264 224 S CB -1.275 61.938 63.200 0.021 0.000 0.918 224 S HN 1.013 nan 8.310 nan 0.000 0.517 225 G N -0.393 108.532 108.800 0.208 0.000 2.473 225 G HA2 0.623 4.581 3.960 -0.004 0.000 0.298 225 G HA3 0.623 4.581 3.960 -0.004 0.000 0.298 225 G C -0.985 173.861 174.900 -0.089 0.000 1.575 225 G CA 0.097 45.333 45.100 0.227 0.000 0.846 225 G HN 1.352 nan 8.290 nan 0.000 0.585 226 S N -0.584 114.965 115.700 -0.252 0.000 2.578 226 S HA 0.531 4.998 4.470 -0.004 0.000 0.272 226 S C 0.336 174.606 174.600 -0.549 0.000 1.145 226 S CA -0.283 57.602 58.200 -0.525 0.000 0.835 226 S CB 0.942 63.731 63.200 -0.685 0.000 1.104 226 S HN 1.899 nan 8.310 nan 0.000 0.458 227 F N 1.254 121.002 119.950 -0.336 0.000 2.604 227 F HA 0.175 4.699 4.527 -0.005 0.000 0.298 227 F C 1.442 177.076 175.800 -0.276 0.000 1.131 227 F CA 0.684 58.523 58.000 -0.269 0.000 1.457 227 F CB -0.388 38.534 39.000 -0.130 0.000 1.095 227 F HN 0.623 nan 8.300 nan 0.000 0.574 228 N N 1.431 119.521 118.700 -1.017 0.000 2.322 228 N HA 0.146 4.883 4.740 -0.004 0.000 0.194 228 N C 0.411 175.625 175.510 -0.493 0.000 1.126 228 N CA 0.449 53.148 53.050 -0.584 0.000 0.845 228 N CB -0.411 37.744 38.487 -0.554 0.000 0.976 228 N HN 0.328 nan 8.380 nan 0.000 0.475 229 A N 2.334 124.736 122.820 -0.696 0.000 2.462 229 A HA 0.256 4.574 4.320 -0.004 0.000 0.243 229 A C -0.952 176.089 177.584 -0.905 0.000 1.076 229 A CA -1.008 50.480 52.037 -0.915 0.000 0.773 229 A CB 0.342 18.484 19.000 -1.429 0.000 1.010 229 A HN 0.104 nan 8.150 nan 0.000 0.493 230 P HA -0.118 nan 4.420 nan 0.000 0.228 230 P C 0.912 178.009 177.300 -0.339 0.000 1.151 230 P CA 1.191 64.001 63.100 -0.483 0.000 0.770 230 P CB -0.075 31.291 31.700 -0.557 0.000 0.786 231 W N -1.546 119.583 121.300 -0.286 0.000 3.290 231 W HA 0.583 5.241 4.660 -0.004 0.000 0.287 231 W C 0.937 177.411 176.519 -0.074 0.000 1.288 231 W CA 0.305 57.538 57.345 -0.187 0.000 1.725 231 W CB -1.006 28.306 29.460 -0.248 0.000 1.103 231 W HN -0.091 nan 8.180 nan 0.000 0.670 232 A N 1.061 123.644 122.820 -0.394 0.000 2.115 232 A HA 0.348 4.666 4.320 -0.004 0.000 0.211 232 A C 0.621 178.127 177.584 -0.130 0.000 1.169 232 A CA 0.614 52.512 52.037 -0.232 0.000 0.787 232 A CB -0.216 18.443 19.000 -0.569 0.000 0.858 232 A HN -0.016 nan 8.150 nan 0.000 0.474 233 V N 0.761 120.601 119.914 -0.125 0.000 2.604 233 V HA 0.396 4.514 4.120 -0.004 0.000 0.305 233 V C -0.456 175.594 176.094 -0.073 0.000 1.043 233 V CA -0.555 61.682 62.300 -0.106 0.000 0.888 233 V CB 1.750 33.543 31.823 -0.050 0.000 0.995 233 V HN 0.216 nan 8.190 nan 0.000 0.429 234 T N 3.186 117.692 114.554 -0.080 0.000 2.767 234 T HA 0.328 4.676 4.350 -0.004 0.000 0.288 234 T C 0.436 175.127 174.700 -0.015 0.000 0.963 234 T CA -0.213 61.859 62.100 -0.047 0.000 1.019 234 T CB 1.124 69.957 68.868 -0.059 0.000 0.923 234 T HN 0.955 nan 8.240 nan 0.000 0.468 235 S N 3.207 118.914 115.700 0.011 0.000 2.569 235 S HA 0.067 4.535 4.470 -0.004 0.000 0.274 235 S C 1.379 176.011 174.600 0.054 0.000 1.353 235 S CA -0.653 57.574 58.200 0.044 0.000 1.023 235 S CB 0.236 63.485 63.200 0.081 0.000 0.876 235 S HN 0.477 nan 8.310 nan 0.000 0.540 236 L N 1.752 123.018 121.223 0.071 0.000 2.131 236 L HA 0.036 4.374 4.340 -0.004 0.000 0.210 236 L C 2.067 179.008 176.870 0.120 0.000 1.092 236 L CA 1.697 56.584 54.840 0.079 0.000 0.759 236 L CB -1.294 40.809 42.059 0.073 0.000 0.903 236 L HN 0.898 nan 8.230 nan 0.000 0.435 237 Y N 0.765 121.063 120.300 -0.003 0.000 2.092 237 Y HA -0.254 4.293 4.550 -0.004 0.000 0.282 237 Y C 2.473 178.365 175.900 -0.014 0.000 1.126 237 Y CA 2.046 60.142 58.100 -0.006 0.000 1.111 237 Y CB -0.438 38.019 38.460 -0.005 0.000 0.987 237 Y HN 0.282 nan 8.280 nan 0.000 0.489 238 E N -0.061 120.113 120.200 -0.044 0.000 2.147 238 E HA -0.280 4.068 4.350 -0.004 0.000 0.199 238 E C 2.285 178.798 176.600 -0.144 0.000 1.005 238 E CA 1.361 57.669 56.400 -0.152 0.000 0.810 238 E CB -0.400 29.254 29.700 -0.076 0.000 0.736 238 E HN 0.550 nan 8.360 nan 0.000 0.460 239 A N 1.229 124.010 122.820 -0.065 0.000 1.902 239 A HA -0.172 4.145 4.320 -0.004 0.000 0.217 239 A C 2.073 179.648 177.584 -0.015 0.000 1.181 239 A CA 1.218 53.240 52.037 -0.026 0.000 0.623 239 A CB -0.281 18.736 19.000 0.028 0.000 0.818 239 A HN 0.055 nan 8.150 nan 0.000 0.443 240 R N -0.812 119.669 120.500 -0.031 0.000 2.075 240 R HA -0.118 4.220 4.340 -0.004 0.000 0.232 240 R C 2.005 178.258 176.300 -0.078 0.000 1.126 240 R CA 1.415 57.496 56.100 -0.032 0.000 0.963 240 R CB -0.505 29.788 30.300 -0.011 0.000 0.858 240 R HN 0.550 nan 8.270 nan 0.000 0.435 241 N N 0.807 119.401 118.700 -0.177 0.000 2.192 241 N HA -0.160 4.577 4.740 -0.004 0.000 0.188 241 N C 1.592 177.027 175.510 -0.124 0.000 1.013 241 N CA 1.384 54.312 53.050 -0.203 0.000 0.863 241 N CB 0.069 38.350 38.487 -0.342 0.000 0.990 241 N HN 0.170 nan 8.380 nan 0.000 0.430 242 R N -1.452 118.983 120.500 -0.108 0.000 2.090 242 R HA 0.122 4.460 4.340 -0.004 0.000 0.219 242 R C 1.967 178.325 176.300 0.097 0.000 1.100 242 R CA 1.332 57.381 56.100 -0.084 0.000 0.991 242 R CB -0.413 29.715 30.300 -0.286 0.000 0.893 242 R HN 0.135 nan 8.270 nan 0.000 0.443 243 T N 1.828 116.464 114.554 0.137 0.000 2.720 243 T HA -0.109 4.238 4.350 -0.004 0.000 0.268 243 T C 1.795 176.522 174.700 0.045 0.000 1.037 243 T CA 1.136 63.307 62.100 0.118 0.000 1.144 243 T CB -0.102 68.790 68.868 0.040 0.000 0.864 243 T HN 0.113 nan 8.240 nan 0.000 0.444 244 L N 0.700 121.930 121.223 0.013 0.000 2.131 244 L HA -0.032 4.305 4.340 -0.004 0.000 0.206 244 L C 2.520 179.396 176.870 0.009 0.000 1.087 244 L CA 0.779 55.619 54.840 -0.001 0.000 0.767 244 L CB -0.533 41.513 42.059 -0.021 0.000 0.917 244 L HN 0.178 nan 8.230 nan 0.000 0.441 245 N N 0.338 119.044 118.700 0.009 0.000 2.084 245 N HA -0.187 4.550 4.740 -0.004 0.000 0.190 245 N C 1.759 177.308 175.510 0.066 0.000 1.030 245 N CA 1.045 54.109 53.050 0.023 0.000 0.849 245 N CB -0.446 38.043 38.487 0.004 0.000 1.012 245 N HN 0.096 nan 8.380 nan 0.000 0.423 246 L N 1.235 122.524 121.223 0.110 0.000 2.013 246 L HA -0.143 4.195 4.340 -0.004 0.000 0.212 246 L C 2.110 179.028 176.870 0.080 0.000 1.073 246 L CA 1.731 56.653 54.840 0.136 0.000 0.753 246 L CB -1.093 41.083 42.059 0.195 0.000 0.890 246 L HN 0.177 nan 8.230 nan 0.000 0.432 247 A N -0.670 122.179 122.820 0.048 0.000 1.892 247 A HA -0.347 3.971 4.320 -0.004 0.000 0.218 247 A C 2.439 180.041 177.584 0.031 0.000 1.188 247 A CA 2.379 54.433 52.037 0.029 0.000 0.631 247 A CB -0.725 18.281 19.000 0.011 0.000 0.822 247 A HN 0.517 nan 8.150 nan 0.000 0.447 248 K N -0.370 120.046 120.400 0.027 0.000 1.991 248 K HA -0.103 4.215 4.320 -0.004 0.000 0.212 248 K C 1.868 178.484 176.600 0.027 0.000 1.049 248 K CA 1.727 58.026 56.287 0.020 0.000 0.932 248 K CB -0.438 32.069 32.500 0.011 0.000 0.717 248 K HN 0.422 nan 8.250 nan 0.000 0.441 249 L N 0.716 121.964 121.223 0.042 0.000 2.189 249 L HA -0.158 4.179 4.340 -0.004 0.000 0.214 249 L C 1.972 178.873 176.870 0.052 0.000 1.097 249 L CA 1.729 56.599 54.840 0.050 0.000 0.764 249 L CB -0.610 41.506 42.059 0.094 0.000 0.900 249 L HN 0.475 nan 8.230 nan 0.000 0.436 250 T N -3.539 111.049 114.554 0.056 0.000 3.186 250 T HA 0.317 4.664 4.350 -0.004 0.000 0.257 250 T C 1.224 175.947 174.700 0.038 0.000 1.029 250 T CA 0.148 62.280 62.100 0.053 0.000 0.916 250 T CB 0.231 69.137 68.868 0.064 0.000 1.041 250 T HN 0.396 nan 8.240 nan 0.000 0.562 251 G N 0.336 109.153 108.800 0.029 0.000 2.356 251 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.296 251 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.296 251 G C 0.503 175.417 174.900 0.023 0.000 1.022 251 G CA 0.103 45.216 45.100 0.021 0.000 0.961 251 G HN 0.641 nan 8.290 nan 0.000 0.510 252 c N 0.513 119.128 118.600 0.025 0.000 2.994 252 c HA 0.459 5.027 4.570 -0.004 0.000 0.284 252 c C 1.526 175.625 174.090 0.016 0.000 1.404 252 c CA 0.005 56.348 56.329 0.024 0.000 1.775 252 c CB -0.680 41.849 42.510 0.031 0.000 2.458 252 c HN 0.646 nan 8.230 nan 0.000 0.593 253 S N 1.526 117.234 115.700 0.013 0.000 2.525 253 S HA 0.340 4.807 4.470 -0.004 0.000 0.285 253 S C 0.506 175.110 174.600 0.008 0.000 1.283 253 S CA 0.567 58.772 58.200 0.008 0.000 1.072 253 S CB 0.920 64.124 63.200 0.007 0.000 0.867 253 S HN 0.529 nan 8.310 nan 0.000 0.492 254 R N 1.339 121.842 120.500 0.005 0.000 2.956 254 R HA 0.509 4.847 4.340 -0.004 0.000 0.106 254 R C -0.671 175.631 176.300 0.004 0.000 0.710 254 R CA -0.271 55.832 56.100 0.006 0.000 0.468 254 R CB 0.169 30.473 30.300 0.006 0.000 0.593 254 R HN 0.610 nan 8.270 nan 0.000 0.339 255 E N 0.178 120.380 120.200 0.004 0.000 2.402 255 E HA -0.077 4.270 4.350 -0.004 0.000 0.175 255 E C -1.559 175.043 176.600 0.004 0.000 1.074 255 E CA -0.142 56.260 56.400 0.003 0.000 0.990 255 E CB -1.800 27.903 29.700 0.004 0.000 0.833 255 E HN 0.372 nan 8.360 nan 0.000 0.416 256 N N 2.521 121.224 118.700 0.004 0.000 2.645 256 N HA 0.039 4.777 4.740 -0.004 0.000 0.233 256 N C 1.031 176.542 175.510 0.002 0.000 1.058 256 N CA 0.631 53.684 53.050 0.004 0.000 0.942 256 N CB 0.711 39.201 38.487 0.005 0.000 1.210 256 N HN 0.436 nan 8.380 nan 0.000 0.512 257 E N 1.317 121.517 120.200 -0.000 0.000 2.279 257 E HA -0.260 4.087 4.350 -0.004 0.000 0.205 257 E C 0.537 177.133 176.600 -0.008 0.000 1.028 257 E CA 1.840 58.236 56.400 -0.006 0.000 0.830 257 E CB -0.233 29.463 29.700 -0.007 0.000 0.736 257 E HN 0.421 nan 8.360 nan 0.000 0.478 258 T N 0.177 114.730 114.554 -0.002 0.000 2.867 258 T HA -0.122 4.226 4.350 -0.004 0.000 0.268 258 T C 1.521 176.225 174.700 0.008 0.000 1.057 258 T CA 1.300 63.401 62.100 0.003 0.000 1.136 258 T CB -0.147 68.725 68.868 0.006 0.000 0.874 258 T HN 0.233 nan 8.240 nan 0.000 0.466 259 E N 0.957 121.162 120.200 0.007 0.000 2.085 259 E HA -0.085 4.262 4.350 -0.004 0.000 0.194 259 E C 1.968 178.575 176.600 0.010 0.000 0.994 259 E CA 0.965 57.371 56.400 0.010 0.000 0.801 259 E CB -0.380 29.325 29.700 0.008 0.000 0.743 259 E HN 0.504 nan 8.360 nan 0.000 0.453 260 I N 0.314 120.884 120.570 0.001 0.000 2.142 260 I HA -0.274 3.893 4.170 -0.004 0.000 0.240 260 I C 1.889 178.003 176.117 -0.005 0.000 1.078 260 I CA 0.694 61.991 61.300 -0.005 0.000 1.343 260 I CB -0.352 37.636 38.000 -0.020 0.000 1.046 260 I HN 0.187 nan 8.210 nan 0.000 0.405 261 I N 0.660 121.221 120.570 -0.016 0.000 2.286 261 I HA -0.258 3.909 4.170 -0.004 0.000 0.248 261 I C 2.475 178.644 176.117 0.087 0.000 1.115 261 I CA 1.483 62.780 61.300 -0.005 0.000 1.392 261 I CB -1.304 36.689 38.000 -0.011 0.000 1.065 261 I HN 0.283 nan 8.210 nan 0.000 0.418 262 K N 0.482 120.918 120.400 0.061 0.000 2.062 262 K HA -0.152 4.165 4.320 -0.004 0.000 0.205 262 K C 2.385 179.025 176.600 0.066 0.000 1.051 262 K CA 1.075 57.401 56.287 0.065 0.000 0.941 262 K CB -0.599 31.925 32.500 0.040 0.000 0.719 262 K HN 0.364 nan 8.250 nan 0.000 0.440 263 c N 1.178 119.810 118.600 0.053 0.000 2.413 263 c HA -0.091 4.476 4.570 -0.004 0.000 0.276 263 c C 2.710 176.847 174.090 0.079 0.000 1.236 263 c CA 0.747 57.106 56.329 0.051 0.000 1.735 263 c CB -1.043 41.489 42.510 0.037 0.000 2.031 263 c HN 0.466 nan 8.230 nan 0.000 0.474 264 L N 0.188 121.477 121.223 0.111 0.000 2.191 264 L HA -0.091 4.247 4.340 -0.004 0.000 0.212 264 L C 2.906 179.923 176.870 0.246 0.000 1.103 264 L CA 1.321 56.275 54.840 0.190 0.000 0.769 264 L CB -0.593 41.581 42.059 0.192 0.000 0.908 264 L HN 0.386 nan 8.230 nan 0.000 0.438 265 R N -0.429 120.193 120.500 0.202 0.000 2.236 265 R HA -0.043 4.294 4.340 -0.004 0.000 0.208 265 R C 1.653 177.973 176.300 0.032 0.000 1.036 265 R CA 0.587 56.738 56.100 0.085 0.000 1.001 265 R CB -0.217 30.127 30.300 0.073 0.000 0.896 265 R HN 0.409 nan 8.270 nan 0.000 0.464 266 N N 0.664 119.392 118.700 0.046 0.000 2.300 266 N HA -0.051 4.687 4.740 -0.004 0.000 0.179 266 N C 0.257 175.782 175.510 0.024 0.000 1.016 266 N CA 0.881 53.947 53.050 0.027 0.000 0.876 266 N CB 0.063 38.566 38.487 0.028 0.000 0.979 266 N HN -0.054 nan 8.380 nan 0.000 0.432 267 K N 2.034 122.458 120.400 0.040 0.000 2.380 267 K HA -0.008 4.309 4.320 -0.004 0.000 0.267 267 K C 0.001 176.614 176.600 0.020 0.000 0.990 267 K CA 0.128 56.438 56.287 0.039 0.000 0.946 267 K CB 0.175 32.712 32.500 0.063 0.000 0.937 267 K HN 0.314 nan 8.250 nan 0.000 0.491 268 D N 0.462 120.873 120.400 0.018 0.000 2.326 268 D HA 0.278 4.916 4.640 -0.004 0.000 0.248 268 D C -2.071 174.234 176.300 0.008 0.000 1.001 268 D CA -2.015 51.987 54.000 0.003 0.000 0.961 268 D CB 0.766 41.567 40.800 0.000 0.000 1.183 268 D HN 0.009 nan 8.370 nan 0.000 0.502 269 P HA -0.209 nan 4.420 nan 0.000 0.217 269 P C 1.362 178.673 177.300 0.019 0.000 1.151 269 P CA 1.341 64.438 63.100 -0.006 0.000 0.849 269 P CB 0.153 31.843 31.700 -0.017 0.000 0.787 270 Q N -0.015 119.799 119.800 0.023 0.000 2.061 270 Q HA -0.192 4.146 4.340 -0.004 0.000 0.204 270 Q C 2.055 178.086 176.000 0.051 0.000 0.984 270 Q CA 1.649 57.473 55.803 0.035 0.000 0.846 270 Q CB -0.662 28.094 28.738 0.031 0.000 0.902 270 Q HN 0.485 nan 8.270 nan 0.000 0.421 271 E N -0.050 120.181 120.200 0.051 0.000 2.077 271 E HA -0.152 4.196 4.350 -0.004 0.000 0.193 271 E C 2.192 178.842 176.600 0.083 0.000 0.989 271 E CA 0.837 57.277 56.400 0.066 0.000 0.800 271 E CB -0.205 29.530 29.700 0.059 0.000 0.746 271 E HN 0.298 nan 8.360 nan 0.000 0.452 272 I N 1.165 121.780 120.570 0.075 0.000 2.179 272 I HA -0.295 3.872 4.170 -0.004 0.000 0.242 272 I C 2.405 178.575 176.117 0.089 0.000 1.088 272 I CA 1.132 62.485 61.300 0.087 0.000 1.357 272 I CB -0.140 37.911 38.000 0.085 0.000 1.051 272 I HN 0.076 nan 8.210 nan 0.000 0.409 273 L N -0.634 120.632 121.223 0.072 0.000 2.046 273 L HA -0.233 4.104 4.340 -0.004 0.000 0.208 273 L C 2.409 179.324 176.870 0.075 0.000 1.077 273 L CA 0.859 55.742 54.840 0.072 0.000 0.747 273 L CB -0.476 41.615 42.059 0.054 0.000 0.896 273 L HN 0.231 nan 8.230 nan 0.000 0.432 274 L N -0.199 121.076 121.223 0.087 0.000 2.131 274 L HA -0.209 4.129 4.340 -0.004 0.000 0.210 274 L C 1.960 178.927 176.870 0.161 0.000 1.092 274 L CA 1.842 56.749 54.840 0.112 0.000 0.759 274 L CB -1.000 41.136 42.059 0.128 0.000 0.903 274 L HN 0.300 nan 8.230 nan 0.000 0.435 275 N N -1.387 117.420 118.700 0.179 0.000 2.395 275 N HA -0.068 4.670 4.740 -0.004 0.000 0.175 275 N C 1.526 177.160 175.510 0.208 0.000 1.029 275 N CA 0.200 53.408 53.050 0.264 0.000 0.897 275 N CB 0.089 38.708 38.487 0.221 0.000 0.991 275 N HN 0.315 nan 8.380 nan 0.000 0.441 276 E N 0.892 121.194 120.200 0.170 0.000 2.169 276 E HA -0.291 4.056 4.350 -0.004 0.000 0.202 276 E C 1.824 178.452 176.600 0.047 0.000 1.016 276 E CA 1.307 57.846 56.400 0.233 0.000 0.817 276 E CB -0.138 29.713 29.700 0.251 0.000 0.736 276 E HN 0.455 nan 8.360 nan 0.000 0.462 277 A N 0.229 122.932 122.820 -0.196 0.000 2.015 277 A HA -0.118 4.199 4.320 -0.004 0.000 0.219 277 A C 1.498 178.842 177.584 -0.400 0.000 1.163 277 A CA 0.982 52.770 52.037 -0.416 0.000 0.646 277 A CB -0.348 18.215 19.000 -0.729 0.000 0.806 277 A HN 0.188 nan 8.150 nan 0.000 0.448 278 F N -0.535 119.432 119.950 0.028 0.000 2.693 278 F HA 0.111 4.635 4.527 -0.004 0.000 0.303 278 F C 1.955 177.741 175.800 -0.023 0.000 1.097 278 F CA 0.297 58.298 58.000 0.002 0.000 1.330 278 F CB -0.270 38.738 39.000 0.013 0.000 1.067 278 F HN 0.118 nan 8.300 nan 0.000 0.565 279 V N -2.531 117.431 119.914 0.080 0.000 2.970 279 V HA 0.011 4.128 4.120 -0.004 0.000 0.260 279 V C 0.670 176.716 176.094 -0.080 0.000 1.100 279 V CA 0.410 62.712 62.300 0.004 0.000 1.122 279 V CB -1.017 30.783 31.823 -0.039 0.000 0.721 279 V HN -0.054 nan 8.190 nan 0.000 0.483 280 V N 1.722 121.581 119.914 -0.092 0.000 2.612 280 V HA 0.390 4.507 4.120 -0.004 0.000 0.301 280 V C -0.724 175.296 176.094 -0.123 0.000 1.046 280 V CA -0.928 61.289 62.300 -0.138 0.000 0.946 280 V CB 1.279 33.025 31.823 -0.128 0.000 1.003 280 V HN 0.229 nan 8.190 nan 0.000 0.459 281 P HA 0.011 nan 4.420 nan 0.000 0.221 281 P C -0.358 176.857 177.300 -0.141 0.000 1.155 281 P CA 1.058 64.011 63.100 -0.246 0.000 0.812 281 P CB 0.114 31.553 31.700 -0.436 0.000 0.801 282 Y N -1.758 118.544 120.300 0.003 0.000 2.331 282 Y HA 0.779 5.327 4.550 -0.004 0.000 0.326 282 Y C 0.206 176.084 175.900 -0.036 0.000 1.020 282 Y CA -1.651 56.444 58.100 -0.008 0.000 1.136 282 Y CB 0.999 39.458 38.460 -0.002 0.000 1.157 282 Y HN -0.139 nan 8.280 nan 0.000 0.444 283 G N 1.199 110.070 108.800 0.118 0.000 2.531 283 G HA2 0.634 4.592 3.960 -0.004 0.000 0.313 283 G HA3 0.634 4.592 3.960 -0.004 0.000 0.313 283 G C -0.622 174.263 174.900 -0.026 0.000 1.238 283 G CA -0.457 44.660 45.100 0.028 0.000 0.994 283 G HN 0.853 nan 8.290 nan 0.000 0.493 284 T N -3.151 111.346 114.554 -0.095 0.000 2.864 284 T HA 0.552 4.899 4.350 -0.004 0.000 0.289 284 T C -2.254 172.330 174.700 -0.194 0.000 1.082 284 T CA -1.452 60.529 62.100 -0.198 0.000 1.009 284 T CB 1.990 70.725 68.868 -0.222 0.000 1.234 284 T HN 0.122 nan 8.240 nan 0.000 0.526 285 P HA 0.123 nan 4.420 nan 0.000 0.226 285 P C 0.859 178.044 177.300 -0.192 0.000 1.146 285 P CA 0.694 63.737 63.100 -0.095 0.000 0.773 285 P CB -0.007 31.755 31.700 0.103 0.000 0.772 286 L N -2.360 118.701 121.223 -0.271 0.000 2.693 286 L HA 0.156 4.493 4.340 -0.004 0.000 0.235 286 L C 0.636 177.296 176.870 -0.350 0.000 1.127 286 L CA -0.020 54.530 54.840 -0.483 0.000 0.914 286 L CB 0.020 41.766 42.059 -0.522 0.000 1.193 286 L HN -0.248 nan 8.230 nan 0.000 0.502 287 S N 0.128 115.693 115.700 -0.226 0.000 2.558 287 S HA 0.089 4.557 4.470 -0.004 0.000 0.293 287 S C 0.076 174.619 174.600 -0.095 0.000 1.292 287 S CA -0.042 58.084 58.200 -0.124 0.000 1.063 287 S CB 0.933 64.071 63.200 -0.105 0.000 0.831 287 S HN -0.058 nan 8.310 nan 0.000 0.499 288 V N 5.267 125.177 119.914 -0.006 0.000 2.284 288 V HA 0.173 4.291 4.120 -0.004 0.000 0.274 288 V C 0.595 176.679 176.094 -0.016 0.000 1.023 288 V CA -0.613 61.730 62.300 0.073 0.000 0.808 288 V CB 0.750 32.699 31.823 0.209 0.000 1.035 288 V HN 0.841 nan 8.190 nan 0.000 0.445 289 N N 3.427 122.094 118.700 -0.055 0.000 2.142 289 N HA 0.026 4.764 4.740 -0.004 0.000 0.186 289 N C -0.333 174.858 175.510 -0.531 0.000 1.023 289 N CA 1.295 54.172 53.050 -0.287 0.000 0.852 289 N CB 0.078 38.393 38.487 -0.287 0.000 0.998 289 N HN 0.539 nan 8.380 nan 0.000 0.424 290 F N -0.474 119.507 119.950 0.053 0.000 2.539 290 F HA 0.619 5.144 4.527 -0.004 0.000 0.328 290 F C 0.593 176.368 175.800 -0.041 0.000 1.148 290 F CA -0.887 57.150 58.000 0.062 0.000 0.940 290 F CB 1.980 41.077 39.000 0.161 0.000 1.194 290 F HN -0.104 nan 8.300 nan 0.000 0.438 291 G N 2.358 111.110 108.800 -0.080 0.000 2.870 291 G HA2 0.647 4.605 3.960 -0.004 0.000 0.299 291 G HA3 0.647 4.605 3.960 -0.004 0.000 0.299 291 G C -3.263 171.252 174.900 -0.642 0.000 1.324 291 G CA -1.874 42.791 45.100 -0.726 0.000 0.808 291 G HN 0.163 nan 8.290 nan 0.000 0.535 292 P HA 0.229 nan 4.420 nan 0.000 0.265 292 P C -0.048 177.143 177.300 -0.182 0.000 1.187 292 P CA 0.455 63.292 63.100 -0.437 0.000 0.766 292 P CB 0.776 32.155 31.700 -0.536 0.000 0.820 293 T N -1.860 112.658 114.554 -0.060 0.000 2.887 293 T HA 0.385 4.732 4.350 -0.004 0.000 0.292 293 T C -0.308 174.392 174.700 -0.000 0.000 1.087 293 T CA -0.875 61.214 62.100 -0.018 0.000 1.009 293 T CB 0.579 69.466 68.868 0.031 0.000 1.203 293 T HN -0.041 nan 8.240 nan 0.000 0.518 294 V N 3.230 123.149 119.914 0.008 0.000 2.302 294 V HA 0.113 4.230 4.120 -0.004 0.000 0.244 294 V C 1.106 177.227 176.094 0.046 0.000 1.160 294 V CA -0.030 62.282 62.300 0.020 0.000 1.127 294 V CB -0.987 30.840 31.823 0.007 0.000 1.253 294 V HN 1.021 nan 8.190 nan 0.000 0.496 295 D N 2.746 123.191 120.400 0.075 0.000 2.347 295 D HA 0.042 4.680 4.640 -0.004 0.000 0.213 295 D C 1.608 177.963 176.300 0.092 0.000 0.985 295 D CA 0.790 54.850 54.000 0.100 0.000 0.879 295 D CB 0.164 41.061 40.800 0.162 0.000 0.919 295 D HN 0.680 nan 8.370 nan 0.000 0.526 296 G N 0.470 109.313 108.800 0.071 0.000 2.155 296 G HA2 -0.326 3.631 3.960 -0.004 0.000 0.257 296 G HA3 -0.326 3.631 3.960 -0.004 0.000 0.257 296 G C 0.465 175.412 174.900 0.078 0.000 0.983 296 G CA 0.754 45.886 45.100 0.054 0.000 0.676 296 G HN 0.533 nan 8.290 nan 0.000 0.528 297 D N -1.657 118.827 120.400 0.140 0.000 3.106 297 D HA 0.196 4.833 4.640 -0.004 0.000 0.216 297 D C 1.708 178.153 176.300 0.241 0.000 1.540 297 D CA 0.393 54.525 54.000 0.220 0.000 1.389 297 D CB -0.538 40.459 40.800 0.328 0.000 1.080 297 D HN 0.113 nan 8.370 nan 0.000 0.270 298 F N 1.235 121.268 119.950 0.138 0.000 2.134 298 F HA 0.223 4.747 4.527 -0.004 0.000 0.299 298 F C 0.576 176.283 175.800 -0.155 0.000 1.097 298 F CA 1.070 58.961 58.000 -0.181 0.000 1.264 298 F CB 0.363 39.016 39.000 -0.578 0.000 1.001 298 F HN -0.058 nan 8.300 nan 0.000 0.479 299 L N 0.972 122.238 121.223 0.071 0.000 2.372 299 L HA 0.194 4.531 4.340 -0.004 0.000 0.273 299 L C 1.040 177.901 176.870 -0.015 0.000 0.989 299 L CA -0.109 54.723 54.840 -0.013 0.000 0.841 299 L CB 1.661 43.745 42.059 0.041 0.000 1.225 299 L HN 0.088 nan 8.230 nan 0.000 0.414 300 T N -1.927 112.594 114.554 -0.055 0.000 3.067 300 T HA 0.067 4.415 4.350 -0.004 0.000 0.261 300 T C 0.371 175.054 174.700 -0.027 0.000 1.110 300 T CA 0.341 62.420 62.100 -0.034 0.000 1.113 300 T CB 0.382 69.219 68.868 -0.051 0.000 0.917 300 T HN 0.471 nan 8.240 nan 0.000 0.499 301 D N -0.572 119.805 120.400 -0.037 0.000 2.665 301 D HA 0.338 4.975 4.640 -0.004 0.000 0.287 301 D C -1.039 175.240 176.300 -0.036 0.000 1.266 301 D CA -0.874 53.109 54.000 -0.028 0.000 0.830 301 D CB 1.540 42.324 40.800 -0.027 0.000 1.356 301 D HN 0.109 nan 8.370 nan 0.000 0.437 302 M N 2.141 121.730 119.600 -0.018 0.000 2.269 302 M HA 0.128 4.606 4.480 -0.004 0.000 0.350 302 M C -1.429 174.851 176.300 -0.033 0.000 1.429 302 M CA -0.970 54.321 55.300 -0.015 0.000 1.063 302 M CB 0.582 33.190 32.600 0.012 0.000 1.841 302 M HN 0.187 nan 8.290 nan 0.000 0.455 303 P HA -0.169 nan 4.420 nan 0.000 0.221 303 P C 0.618 177.937 177.300 0.032 0.000 1.150 303 P CA 1.219 64.173 63.100 -0.243 0.000 0.800 303 P CB -0.233 31.008 31.700 -0.765 0.000 0.787 304 D N 0.474 121.000 120.400 0.210 0.000 2.149 304 D HA -0.173 4.464 4.640 -0.004 0.000 0.198 304 D C 1.965 178.373 176.300 0.181 0.000 0.990 304 D CA 1.091 55.253 54.000 0.270 0.000 0.839 304 D CB -1.068 39.845 40.800 0.188 0.000 0.948 304 D HN 0.247 nan 8.370 nan 0.000 0.460 305 I N 0.553 121.188 120.570 0.108 0.000 2.202 305 I HA -0.219 3.949 4.170 -0.004 0.000 0.242 305 I C 2.739 178.902 176.117 0.077 0.000 1.091 305 I CA 0.648 61.996 61.300 0.081 0.000 1.368 305 I CB -0.351 37.675 38.000 0.043 0.000 1.058 305 I HN -0.070 nan 8.210 nan 0.000 0.410 306 L N 0.155 121.411 121.223 0.055 0.000 1.989 306 L HA -0.252 4.086 4.340 -0.004 0.000 0.211 306 L C 2.666 179.638 176.870 0.170 0.000 1.071 306 L CA 1.111 55.983 54.840 0.053 0.000 0.749 306 L CB -0.756 41.312 42.059 0.014 0.000 0.890 306 L HN 0.249 nan 8.230 nan 0.000 0.431 307 L N 0.584 121.967 121.223 0.268 0.000 1.978 307 L HA -0.281 4.056 4.340 -0.004 0.000 0.218 307 L C 2.585 179.650 176.870 0.325 0.000 1.075 307 L CA 2.254 57.306 54.840 0.353 0.000 0.767 307 L CB -0.572 41.730 42.059 0.405 0.000 0.890 307 L HN 0.304 nan 8.230 nan 0.000 0.434 308 E N -0.839 119.512 120.200 0.251 0.000 2.204 308 E HA -0.153 4.195 4.350 -0.004 0.000 0.194 308 E C 1.671 178.462 176.600 0.319 0.000 0.989 308 E CA 1.318 57.879 56.400 0.267 0.000 0.824 308 E CB -0.183 29.630 29.700 0.188 0.000 0.756 308 E HN 0.595 nan 8.360 nan 0.000 0.477 309 L N -1.038 120.275 121.223 0.150 0.000 2.769 309 L HA 0.375 4.713 4.340 -0.004 0.000 0.240 309 L C 1.019 177.606 176.870 -0.471 0.000 1.163 309 L CA 0.125 54.994 54.840 0.047 0.000 0.962 309 L CB 0.326 42.388 42.059 0.006 0.000 1.258 309 L HN 0.350 nan 8.230 nan 0.000 0.513 310 G N 0.359 108.661 108.800 -0.830 0.000 2.176 310 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.252 310 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.252 310 G C 0.191 174.113 174.900 -1.630 0.000 1.024 310 G CA -0.204 43.548 45.100 -2.246 0.000 0.755 310 G HN 0.320 nan 8.290 nan 0.000 0.507 311 Q N -0.334 118.979 119.800 -0.812 0.000 2.771 311 Q HA 0.577 4.914 4.340 -0.004 0.000 0.239 311 Q C -0.019 175.840 176.000 -0.234 0.000 1.231 311 Q CA 0.014 55.521 55.803 -0.493 0.000 1.056 311 Q CB -0.250 28.359 28.738 -0.215 0.000 1.284 311 Q HN 0.846 nan 8.270 nan 0.000 0.558 312 F N -2.172 117.672 119.950 -0.177 0.000 2.713 312 F HA 0.466 4.989 4.527 -0.005 0.000 0.311 312 F C -0.340 175.339 175.800 -0.203 0.000 1.141 312 F CA -1.712 56.272 58.000 -0.028 0.000 0.939 312 F CB 0.923 39.957 39.000 0.056 0.000 1.325 312 F HN -0.107 nan 8.300 nan 0.000 0.453 313 K N 1.739 122.071 120.400 -0.114 0.000 2.484 313 K HA 0.114 4.432 4.320 -0.004 0.000 0.280 313 K C -0.654 175.962 176.600 0.027 0.000 1.013 313 K CA -0.298 55.728 56.287 -0.435 0.000 1.029 313 K CB 0.499 32.705 32.500 -0.489 0.000 0.902 313 K HN 0.486 nan 8.250 nan 0.000 0.481 314 K N 3.098 123.446 120.400 -0.087 0.000 2.285 314 K HA 0.198 4.515 4.320 -0.004 0.000 0.286 314 K C -0.208 176.447 176.600 0.091 0.000 1.072 314 K CA -0.114 56.180 56.287 0.012 0.000 0.913 314 K CB 1.295 33.753 32.500 -0.069 0.000 1.067 314 K HN 0.784 nan 8.250 nan 0.000 0.479 315 T N 1.290 116.003 114.554 0.266 0.000 2.663 315 T HA 0.196 4.544 4.350 -0.004 0.000 0.305 315 T C -1.546 173.380 174.700 0.376 0.000 1.660 315 T CA -0.719 61.526 62.100 0.241 0.000 0.976 315 T CB 0.768 69.727 68.868 0.151 0.000 1.705 315 T HN 0.375 nan 8.240 nan 0.000 0.494 316 Q N 1.414 121.381 119.800 0.280 0.000 2.299 316 Q HA 0.716 5.053 4.340 -0.004 0.000 0.246 316 Q C -0.002 176.269 176.000 0.450 0.000 0.935 316 Q CA -0.340 55.688 55.803 0.375 0.000 0.887 316 Q CB 0.771 29.722 28.738 0.356 0.000 1.223 316 Q HN 0.650 nan 8.270 nan 0.000 0.439 317 I N -1.539 119.237 120.570 0.343 0.000 2.892 317 I HA 0.682 4.849 4.170 -0.004 0.000 0.306 317 I C -1.321 174.766 176.117 -0.050 0.000 1.078 317 I CA -1.419 59.959 61.300 0.131 0.000 1.032 317 I CB 1.843 39.704 38.000 -0.231 0.000 1.229 317 I HN 0.508 nan 8.210 nan 0.000 0.435 318 L N 5.080 126.052 121.223 -0.419 0.000 2.406 318 L HA 0.751 5.089 4.340 -0.004 0.000 0.272 318 L C -1.567 175.097 176.870 -0.343 0.000 0.980 318 L CA -0.566 53.907 54.840 -0.612 0.000 0.831 318 L CB 1.757 42.927 42.059 -1.482 0.000 1.253 318 L HN 0.576 nan 8.230 nan 0.000 0.406 319 V N 3.633 123.397 119.914 -0.250 0.000 2.789 319 V HA 0.957 5.074 4.120 -0.004 0.000 0.311 319 V C 0.146 175.661 176.094 -0.965 0.000 1.073 319 V CA -0.329 61.748 62.300 -0.371 0.000 0.921 319 V CB 1.738 33.441 31.823 -0.201 0.000 1.009 319 V HN 0.895 nan 8.190 nan 0.000 0.426 320 G N 1.548 109.663 108.800 -1.142 0.000 2.660 320 G HA2 0.840 4.797 3.960 -0.004 0.000 0.290 320 G HA3 0.840 4.797 3.960 -0.004 0.000 0.290 320 G C -1.418 172.911 174.900 -0.951 0.000 1.432 320 G CA -0.033 43.778 45.100 -2.149 0.000 0.807 320 G HN 1.473 nan 8.290 nan 0.000 0.485 321 V N -2.427 117.139 119.914 -0.579 0.000 3.216 321 V HA 0.772 4.889 4.120 -0.004 0.000 0.302 321 V C -1.403 174.797 176.094 0.177 0.000 1.286 321 V CA -1.529 60.771 62.300 0.000 0.000 1.048 321 V CB 1.880 33.818 31.823 0.193 0.000 1.081 321 V HN 0.614 nan 8.190 nan 0.000 0.442 322 N N 1.268 120.073 118.700 0.174 0.000 2.487 322 N HA 0.421 5.158 4.740 -0.004 0.000 0.292 322 N C 0.600 176.134 175.510 0.040 0.000 1.108 322 N CA -0.436 52.706 53.050 0.153 0.000 0.956 322 N CB 1.881 40.471 38.487 0.172 0.000 1.176 322 N HN 0.946 nan 8.380 nan 0.000 0.484 323 K N 0.497 120.787 120.400 -0.184 0.000 2.074 323 K HA -0.119 4.199 4.320 -0.004 0.000 0.209 323 K C -0.583 176.086 176.600 0.115 0.000 1.048 323 K CA 1.373 57.583 56.287 -0.128 0.000 0.926 323 K CB 0.181 32.564 32.500 -0.195 0.000 0.713 323 K HN 0.555 nan 8.250 nan 0.000 0.444 324 D N 0.894 121.345 120.400 0.086 0.000 2.943 324 D HA 0.028 4.665 4.640 -0.004 0.000 0.347 324 D C 0.215 176.566 176.300 0.085 0.000 1.305 324 D CA -0.106 53.956 54.000 0.104 0.000 0.870 324 D CB 1.154 41.997 40.800 0.071 0.000 1.081 324 D HN 0.147 nan 8.370 nan 0.000 0.492 325 E N 0.736 121.003 120.200 0.113 0.000 2.097 325 E HA -0.153 4.194 4.350 -0.004 0.000 0.196 325 E C 2.042 178.702 176.600 0.099 0.000 1.000 325 E CA 0.933 57.368 56.400 0.060 0.000 0.804 325 E CB -0.027 29.735 29.700 0.104 0.000 0.740 325 E HN 0.448 nan 8.360 nan 0.000 0.454 326 G N 0.805 109.700 108.800 0.158 0.000 2.511 326 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.217 326 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.217 326 G C 1.706 176.690 174.900 0.140 0.000 1.133 326 G CA 1.313 46.519 45.100 0.177 0.000 0.792 326 G HN 0.401 nan 8.290 nan 0.000 0.539 327 T N -0.330 114.259 114.554 0.058 0.000 2.788 327 T HA 0.041 4.388 4.350 -0.004 0.000 0.268 327 T C 2.551 177.189 174.700 -0.104 0.000 1.044 327 T CA 1.592 63.710 62.100 0.030 0.000 1.139 327 T CB -0.404 68.440 68.868 -0.039 0.000 0.867 327 T HN 0.288 nan 8.240 nan 0.000 0.454 328 A N 0.711 123.349 122.820 -0.303 0.000 2.019 328 A HA 0.151 4.469 4.320 -0.004 0.000 0.219 328 A C 1.853 179.192 177.584 -0.408 0.000 1.164 328 A CA 1.036 52.717 52.037 -0.592 0.000 0.644 328 A CB -1.002 17.490 19.000 -0.847 0.000 0.805 328 A HN 0.601 nan 8.150 nan 0.000 0.449 329 F N -0.597 119.350 119.950 -0.004 0.000 2.698 329 F HA 0.186 4.710 4.527 -0.004 0.000 0.295 329 F C 1.741 177.742 175.800 0.335 0.000 1.124 329 F CA 0.197 58.285 58.000 0.148 0.000 1.426 329 F CB -0.154 38.886 39.000 0.067 0.000 1.120 329 F HN 0.063 nan 8.300 nan 0.000 0.583 330 L N 0.095 121.484 121.223 0.276 0.000 2.275 330 L HA -0.103 4.234 4.340 -0.004 0.000 0.215 330 L C 2.051 179.035 176.870 0.190 0.000 1.119 330 L CA 0.785 55.657 54.840 0.054 0.000 0.790 330 L CB -0.688 41.057 42.059 -0.524 0.000 0.919 330 L HN 0.166 nan 8.230 nan 0.000 0.443 331 V N -5.639 114.480 119.914 0.341 0.000 3.633 331 V HA -0.035 4.082 4.120 -0.004 0.000 0.283 331 V C 0.880 177.079 176.094 0.174 0.000 1.305 331 V CA 0.212 62.720 62.300 0.346 0.000 1.153 331 V CB -1.072 30.979 31.823 0.380 0.000 0.950 331 V HN 0.248 nan 8.190 nan 0.000 0.432 332 Y N 1.777 122.229 120.300 0.253 0.000 2.746 332 Y HA 0.705 5.252 4.550 -0.004 0.000 0.312 332 Y C 1.633 177.571 175.900 0.063 0.000 1.117 332 Y CA 0.094 58.290 58.100 0.161 0.000 1.324 332 Y CB 0.675 39.221 38.460 0.144 0.000 1.173 332 Y HN 0.391 nan 8.280 nan 0.000 0.529 333 G N -1.064 107.833 108.800 0.161 0.000 2.977 333 G HA2 -0.024 3.933 3.960 -0.004 0.000 0.211 333 G HA3 -0.024 3.933 3.960 -0.004 0.000 0.211 333 G C 0.222 175.158 174.900 0.060 0.000 0.994 333 G CA -0.404 44.733 45.100 0.062 0.000 0.795 333 G HN 0.426 nan 8.290 nan 0.000 0.518 334 A N 1.801 124.701 122.820 0.133 0.000 2.520 334 A HA 0.616 4.933 4.320 -0.004 0.000 0.245 334 A C -1.924 175.896 177.584 0.392 0.000 1.072 334 A CA -0.422 51.767 52.037 0.254 0.000 0.761 334 A CB -0.115 19.030 19.000 0.241 0.000 1.004 334 A HN 0.151 nan 8.150 nan 0.000 0.499 335 P HA 0.404 nan 4.420 nan 0.000 0.275 335 P C 0.932 178.336 177.300 0.175 0.000 1.227 335 P CA 1.129 64.352 63.100 0.204 0.000 0.781 335 P CB 1.092 32.864 31.700 0.121 0.000 0.906 336 G N 0.864 109.698 108.800 0.056 0.000 2.176 336 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.253 336 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.253 336 G C -0.174 174.537 174.900 -0.316 0.000 0.979 336 G CA -0.465 44.554 45.100 -0.135 0.000 0.641 336 G HN 0.398 nan 8.290 nan 0.000 0.530 337 F N 1.260 121.227 119.950 0.028 0.000 2.385 337 F HA 0.738 5.263 4.527 -0.004 0.000 0.336 337 F C 0.728 176.611 175.800 0.138 0.000 1.100 337 F CA 0.180 58.208 58.000 0.048 0.000 1.116 337 F CB 2.162 41.256 39.000 0.157 0.000 1.166 337 F HN 0.185 nan 8.300 nan 0.000 0.511 338 S N 1.308 117.231 115.700 0.371 0.000 2.543 338 S HA 0.264 4.731 4.470 -0.004 0.000 0.274 338 S C 0.007 174.879 174.600 0.452 0.000 1.149 338 S CA -0.940 57.458 58.200 0.330 0.000 0.866 338 S CB 1.237 64.539 63.200 0.171 0.000 1.111 338 S HN 0.726 nan 8.310 nan 0.000 0.457 339 K N 1.267 121.838 120.400 0.285 0.000 2.486 339 K HA 0.216 4.534 4.320 -0.004 0.000 0.194 339 K C -0.111 176.553 176.600 0.105 0.000 1.033 339 K CA 0.810 57.209 56.287 0.188 0.000 1.004 339 K CB -0.016 32.394 32.500 -0.151 0.000 0.798 339 K HN 0.384 nan 8.250 nan 0.000 0.495 340 D N 0.945 121.403 120.400 0.098 0.000 2.462 340 D HA 0.069 4.707 4.640 -0.004 0.000 0.221 340 D C -0.627 175.724 176.300 0.084 0.000 1.173 340 D CA 0.017 54.042 54.000 0.042 0.000 0.831 340 D CB 0.198 40.991 40.800 -0.011 0.000 1.001 340 D HN 0.464 nan 8.370 nan 0.000 0.499 341 N N -0.717 118.075 118.700 0.154 0.000 0.000 341 N HA -0.001 4.736 4.740 -0.004 0.000 0.000 341 N C 0.121 175.706 175.510 0.124 0.000 0.000 341 N CA -0.629 52.481 53.050 0.101 0.000 0.000 341 N CB 0.159 38.658 38.487 0.020 0.000 0.000 341 N HN -0.269 nan 8.380 nan 0.000 0.000 342 N N -1.127 117.568 118.700 -0.008 0.000 2.467 342 N HA 0.031 4.769 4.740 -0.004 0.000 0.184 342 N C -0.714 174.469 175.510 -0.546 0.000 1.106 342 N CA 0.600 53.578 53.050 -0.120 0.000 0.892 342 N CB -0.356 38.112 38.487 -0.033 0.000 0.969 342 N HN 0.549 nan 8.380 nan 0.000 0.454 343 S N -0.452 114.947 115.700 -0.502 0.000 3.698 343 S HA -0.114 4.354 4.470 -0.004 0.000 0.338 343 S C -0.208 174.001 174.600 -0.653 0.000 1.089 343 S CA 0.046 57.814 58.200 -0.721 0.000 0.991 343 S CB -1.679 60.780 63.200 -1.234 0.000 0.909 343 S HN 0.403 nan 8.310 nan 0.000 0.485 344 I N 2.558 122.893 120.570 -0.392 0.000 2.581 344 I HA 0.191 4.359 4.170 -0.004 0.000 0.285 344 I C 0.858 176.808 176.117 -0.278 0.000 1.129 344 I CA 0.337 61.471 61.300 -0.276 0.000 1.397 344 I CB -0.634 37.264 38.000 -0.169 0.000 1.399 344 I HN 0.434 nan 8.210 nan 0.000 0.537 345 I N 3.587 124.002 120.570 -0.258 0.000 2.750 345 I HA 0.659 4.826 4.170 -0.004 0.000 0.308 345 I C 0.623 176.672 176.117 -0.114 0.000 1.016 345 I CA -0.724 60.449 61.300 -0.212 0.000 1.098 345 I CB 1.928 39.775 38.000 -0.255 0.000 1.279 345 I HN 0.534 nan 8.210 nan 0.000 0.454 346 T N -0.079 114.393 114.554 -0.136 0.000 2.847 346 T HA 0.330 4.677 4.350 -0.004 0.000 0.279 346 T C 1.015 175.431 174.700 -0.473 0.000 0.984 346 T CA -0.425 61.544 62.100 -0.218 0.000 0.988 346 T CB 1.553 70.340 68.868 -0.135 0.000 1.040 346 T HN 0.876 nan 8.240 nan 0.000 0.528 347 R N 0.623 120.642 120.500 -0.802 0.000 2.159 347 R HA -0.252 4.086 4.340 -0.004 0.000 0.249 347 R C 2.233 178.418 176.300 -0.191 0.000 1.136 347 R CA 2.300 57.922 56.100 -0.796 0.000 0.951 347 R CB -0.436 29.680 30.300 -0.305 0.000 0.876 347 R HN 0.695 nan 8.270 nan 0.000 0.440 348 K N 0.446 120.789 120.400 -0.096 0.000 2.097 348 K HA -0.137 4.181 4.320 -0.004 0.000 0.206 348 K C 1.754 178.379 176.600 0.043 0.000 1.049 348 K CA 2.021 58.310 56.287 0.004 0.000 0.933 348 K CB 0.057 32.554 32.500 -0.004 0.000 0.717 348 K HN 0.378 nan 8.250 nan 0.000 0.442 349 E N -1.052 119.162 120.200 0.024 0.000 2.107 349 E HA -0.147 4.201 4.350 -0.004 0.000 0.191 349 E C 1.735 178.448 176.600 0.188 0.000 0.982 349 E CA 0.926 57.373 56.400 0.079 0.000 0.809 349 E CB -0.197 29.517 29.700 0.023 0.000 0.756 349 E HN 0.299 nan 8.360 nan 0.000 0.459 350 F N 2.270 122.243 119.950 0.039 0.000 2.102 350 F HA -0.251 4.273 4.527 -0.004 0.000 0.298 350 F C 2.199 178.104 175.800 0.175 0.000 1.105 350 F CA 1.742 59.843 58.000 0.169 0.000 1.239 350 F CB -0.042 39.086 39.000 0.213 0.000 0.991 350 F HN -0.069 nan 8.300 nan 0.000 0.474 351 Q N -0.073 119.867 119.800 0.232 0.000 2.061 351 Q HA -0.212 4.126 4.340 -0.004 0.000 0.204 351 Q C 2.067 178.097 176.000 0.050 0.000 0.984 351 Q CA 1.725 57.599 55.803 0.118 0.000 0.846 351 Q CB -0.397 28.438 28.738 0.162 0.000 0.902 351 Q HN 0.430 nan 8.270 nan 0.000 0.421 352 E N 0.258 120.500 120.200 0.070 0.000 2.110 352 E HA -0.139 4.208 4.350 -0.004 0.000 0.193 352 E C 2.147 178.786 176.600 0.065 0.000 0.988 352 E CA 1.237 57.674 56.400 0.062 0.000 0.804 352 E CB -0.516 29.224 29.700 0.067 0.000 0.745 352 E HN 0.513 nan 8.360 nan 0.000 0.458 353 G N 1.390 110.241 108.800 0.085 0.000 2.442 353 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.219 353 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.219 353 G C 1.704 176.693 174.900 0.149 0.000 1.141 353 G CA 0.563 45.748 45.100 0.141 0.000 0.763 353 G HN 0.199 nan 8.290 nan 0.000 0.554 354 L N -0.410 120.822 121.223 0.016 0.000 2.217 354 L HA 0.055 4.393 4.340 -0.004 0.000 0.211 354 L C 2.850 179.850 176.870 0.215 0.000 1.107 354 L CA 0.732 55.658 54.840 0.143 0.000 0.783 354 L CB -0.212 41.833 42.059 -0.024 0.000 0.919 354 L HN 0.165 nan 8.230 nan 0.000 0.442 355 K N 0.142 120.600 120.400 0.096 0.000 2.097 355 K HA -0.125 4.193 4.320 -0.004 0.000 0.205 355 K C 2.081 178.674 176.600 -0.011 0.000 1.050 355 K CA 0.935 57.252 56.287 0.050 0.000 0.938 355 K CB 0.159 32.673 32.500 0.024 0.000 0.718 355 K HN 0.149 nan 8.250 nan 0.000 0.442 356 I N 0.338 120.879 120.570 -0.048 0.000 2.202 356 I HA -0.221 3.947 4.170 -0.004 0.000 0.242 356 I C 1.925 177.819 176.117 -0.372 0.000 1.091 356 I CA 1.542 62.704 61.300 -0.229 0.000 1.368 356 I CB -0.938 36.860 38.000 -0.338 0.000 1.058 356 I HN 0.046 nan 8.210 nan 0.000 0.410 357 F N -0.614 119.274 119.950 -0.104 0.000 2.615 357 F HA -0.008 4.517 4.527 -0.004 0.000 0.297 357 F C 0.970 176.419 175.800 -0.584 0.000 1.124 357 F CA 0.537 58.335 58.000 -0.337 0.000 1.451 357 F CB -0.227 38.531 39.000 -0.403 0.000 1.103 357 F HN -0.127 nan 8.300 nan 0.000 0.569 358 F N 0.315 120.304 119.950 0.065 0.000 2.597 358 F HA 0.331 4.855 4.527 -0.004 0.000 0.336 358 F C -1.665 174.092 175.800 -0.072 0.000 1.432 358 F CA -2.242 55.783 58.000 0.042 0.000 1.120 358 F CB 0.009 39.058 39.000 0.082 0.000 1.253 358 F HN -0.227 nan 8.300 nan 0.000 0.546 359 P HA -0.103 nan 4.420 nan 0.000 0.216 359 P C 0.880 177.820 177.300 -0.599 0.000 1.150 359 P CA 1.592 64.402 63.100 -0.484 0.000 0.843 359 P CB 0.459 31.677 31.700 -0.804 0.000 0.787 360 G N -1.218 107.369 108.800 -0.354 0.000 4.574 360 G HA2 0.283 4.240 3.960 -0.004 0.000 0.236 360 G HA3 0.283 4.240 3.960 -0.004 0.000 0.236 360 G C -0.683 174.252 174.900 0.058 0.000 1.733 360 G CA -0.505 44.524 45.100 -0.118 0.000 0.605 360 G HN -0.007 nan 8.290 nan 0.000 0.352 361 V N 0.741 120.713 119.914 0.095 0.000 5.373 361 V HA -0.221 3.897 4.120 -0.004 0.000 0.339 361 V C 1.439 177.576 176.094 0.072 0.000 0.856 361 V CA 0.941 63.304 62.300 0.105 0.000 1.278 361 V CB -1.927 30.038 31.823 0.237 0.000 1.439 361 V HN 1.376 nan 8.190 nan 0.000 0.451 362 S N 2.153 117.892 115.700 0.065 0.000 2.576 362 S HA 0.205 4.672 4.470 -0.004 0.000 0.272 362 S C 0.951 175.613 174.600 0.103 0.000 1.352 362 S CA 0.298 58.549 58.200 0.084 0.000 1.021 362 S CB 1.352 64.613 63.200 0.101 0.000 0.887 362 S HN 0.745 nan 8.310 nan 0.000 0.542 363 E N 0.682 120.950 120.200 0.114 0.000 2.097 363 E HA -0.124 4.224 4.350 -0.004 0.000 0.196 363 E C 1.416 178.107 176.600 0.152 0.000 1.000 363 E CA 1.734 58.205 56.400 0.119 0.000 0.804 363 E CB -0.500 29.267 29.700 0.112 0.000 0.740 363 E HN 0.791 nan 8.360 nan 0.000 0.454 364 F N -0.236 119.739 119.950 0.043 0.000 2.186 364 F HA -0.031 4.493 4.527 -0.004 0.000 0.299 364 F C 2.003 177.856 175.800 0.089 0.000 1.090 364 F CA 1.735 59.769 58.000 0.056 0.000 1.307 364 F CB -0.497 38.526 39.000 0.039 0.000 1.019 364 F HN 0.081 nan 8.300 nan 0.000 0.489 365 G N 0.631 109.415 108.800 -0.027 0.000 2.446 365 G HA2 -0.287 3.671 3.960 -0.004 0.000 0.217 365 G HA3 -0.287 3.671 3.960 -0.004 0.000 0.217 365 G C 1.695 176.587 174.900 -0.012 0.000 1.168 365 G CA 1.024 46.066 45.100 -0.098 0.000 0.771 365 G HN 0.359 nan 8.290 nan 0.000 0.551 366 K N 0.365 120.770 120.400 0.009 0.000 2.057 366 K HA -0.039 4.279 4.320 -0.004 0.000 0.207 366 K C 2.447 179.057 176.600 0.018 0.000 1.049 366 K CA 1.214 57.502 56.287 0.001 0.000 0.931 366 K CB -0.149 32.374 32.500 0.039 0.000 0.714 366 K HN 0.378 nan 8.250 nan 0.000 0.440 367 E N 0.597 120.802 120.200 0.008 0.000 2.110 367 E HA -0.151 4.196 4.350 -0.004 0.000 0.193 367 E C 2.112 178.714 176.600 0.003 0.000 0.988 367 E CA 1.064 57.480 56.400 0.026 0.000 0.804 367 E CB -0.029 29.684 29.700 0.022 0.000 0.745 367 E HN 0.180 nan 8.360 nan 0.000 0.458 368 S N 1.056 116.693 115.700 -0.105 0.000 2.370 368 S HA -0.169 4.298 4.470 -0.004 0.000 0.226 368 S C 2.068 176.696 174.600 0.047 0.000 1.033 368 S CA 0.987 59.197 58.200 0.016 0.000 1.011 368 S CB -0.228 63.097 63.200 0.208 0.000 0.852 368 S HN 0.225 nan 8.310 nan 0.000 0.457 369 I N 1.326 121.930 120.570 0.057 0.000 2.179 369 I HA -0.177 3.991 4.170 -0.004 0.000 0.242 369 I C 2.406 178.577 176.117 0.090 0.000 1.088 369 I CA 1.112 62.375 61.300 -0.061 0.000 1.357 369 I CB -0.438 37.493 38.000 -0.114 0.000 1.051 369 I HN 0.261 nan 8.210 nan 0.000 0.409 370 L N 0.193 121.532 121.223 0.194 0.000 2.083 370 L HA -0.242 4.096 4.340 -0.004 0.000 0.209 370 L C 2.572 179.481 176.870 0.066 0.000 1.083 370 L CA 1.508 56.521 54.840 0.288 0.000 0.752 370 L CB -0.357 41.925 42.059 0.371 0.000 0.899 370 L HN 0.116 nan 8.230 nan 0.000 0.433 371 F N 0.191 120.078 119.950 -0.105 0.000 2.075 371 F HA -0.300 4.224 4.527 -0.005 0.000 0.297 371 F C 2.472 178.094 175.800 -0.296 0.000 1.113 371 F CA 2.150 60.034 58.000 -0.193 0.000 1.218 371 F CB -0.278 38.629 39.000 -0.155 0.000 0.984 371 F HN 0.234 nan 8.300 nan 0.000 0.472 372 H N -1.668 117.219 119.070 -0.305 0.000 2.387 372 H HA -0.171 4.383 4.556 -0.004 0.000 0.299 372 H C 1.177 176.136 175.328 -0.616 0.000 1.090 372 H CA 2.331 58.013 56.048 -0.611 0.000 1.332 372 H CB -0.269 28.797 29.762 -1.159 0.000 1.386 372 H HN 0.407 nan 8.280 nan 0.000 0.516 373 Y N -1.071 118.994 120.300 -0.391 0.000 2.458 373 Y HA 0.125 4.673 4.550 -0.004 0.000 0.256 373 Y C 1.188 176.725 175.900 -0.605 0.000 1.159 373 Y CA 0.609 58.517 58.100 -0.320 0.000 1.261 373 Y CB 0.814 39.273 38.460 -0.001 0.000 1.119 373 Y HN 0.275 nan 8.280 nan 0.000 0.524 374 T N -4.245 109.847 114.554 -0.771 0.000 3.339 374 T HA 0.123 4.470 4.350 -0.004 0.000 0.292 374 T C -0.392 173.316 174.700 -1.654 0.000 1.012 374 T CA -0.487 60.640 62.100 -1.622 0.000 0.937 374 T CB -0.322 67.751 68.868 -1.324 0.000 1.164 374 T HN -0.014 nan 8.240 nan 0.000 0.509 375 D N 1.789 121.526 120.400 -1.105 0.000 2.402 375 D HA 0.217 4.855 4.640 -0.004 0.000 0.235 375 D C -0.532 175.432 176.300 -0.559 0.000 1.226 375 D CA -0.519 52.990 54.000 -0.817 0.000 0.918 375 D CB -0.029 40.346 40.800 -0.709 0.000 1.043 375 D HN 0.490 nan 8.370 nan 0.000 0.506 376 W N 3.150 124.299 121.300 -0.252 0.000 2.266 376 W HA 0.315 4.972 4.660 -0.004 0.000 0.317 376 W C 0.180 176.604 176.519 -0.158 0.000 1.310 376 W CA -1.245 55.975 57.345 -0.208 0.000 1.207 376 W CB 0.993 30.331 29.460 -0.203 0.000 1.199 376 W HN 0.075 nan 8.180 nan 0.000 0.544 377 V N 5.506 125.513 119.914 0.154 0.000 2.266 377 V HA 0.177 4.295 4.120 -0.004 0.000 0.271 377 V C -0.501 175.618 176.094 0.042 0.000 1.032 377 V CA 0.271 62.607 62.300 0.060 0.000 0.806 377 V CB 0.579 32.409 31.823 0.012 0.000 1.052 377 V HN 0.798 nan 8.190 nan 0.000 0.449 378 D N 2.257 122.665 120.400 0.013 0.000 2.712 378 D HA -0.002 4.636 4.640 -0.004 0.000 0.181 378 D C 1.171 177.450 176.300 -0.035 0.000 1.434 378 D CA 0.918 54.941 54.000 0.038 0.000 1.446 378 D CB 0.404 41.221 40.800 0.029 0.000 1.609 378 D HN 0.580 nan 8.370 nan 0.000 0.340 379 D N 1.283 121.653 120.400 -0.050 0.000 2.640 379 D HA -0.249 4.388 4.640 -0.004 0.000 0.193 379 D C 0.154 176.400 176.300 -0.091 0.000 1.063 379 D CA 1.407 55.371 54.000 -0.060 0.000 0.923 379 D CB -0.530 40.235 40.800 -0.057 0.000 0.883 379 D HN 0.269 nan 8.370 nan 0.000 0.463 380 Q N -0.894 118.801 119.800 -0.176 0.000 2.449 380 Q HA -0.216 4.121 4.340 -0.004 0.000 0.351 380 Q C -0.787 175.122 176.000 -0.151 0.000 1.456 380 Q CA 0.836 56.504 55.803 -0.226 0.000 0.951 380 Q CB -1.317 27.330 28.738 -0.151 0.000 1.153 380 Q HN 0.356 nan 8.270 nan 0.000 0.341 381 R N -1.204 119.205 120.500 -0.152 0.000 2.974 381 R HA -0.186 4.151 4.340 -0.004 0.000 0.258 381 R C -1.782 174.368 176.300 -0.250 0.000 0.892 381 R CA 0.781 56.757 56.100 -0.206 0.000 0.664 381 R CB -0.727 29.414 30.300 -0.264 0.000 1.478 381 R HN 0.414 nan 8.270 nan 0.000 0.498 382 P HA -0.142 nan 4.420 nan 0.000 0.229 382 P C 0.885 178.099 177.300 -0.144 0.000 1.160 382 P CA 1.141 64.157 63.100 -0.139 0.000 0.777 382 P CB 0.190 31.834 31.700 -0.093 0.000 0.814 383 E N -0.954 119.155 120.200 -0.151 0.000 2.476 383 E HA -0.012 4.336 4.350 -0.004 0.000 0.191 383 E C 1.076 177.575 176.600 -0.169 0.000 1.064 383 E CA -0.036 56.291 56.400 -0.123 0.000 0.866 383 E CB -0.875 28.785 29.700 -0.066 0.000 0.952 383 E HN 0.091 nan 8.360 nan 0.000 0.492 384 N N 1.286 119.759 118.700 -0.379 0.000 2.037 384 N HA -0.204 4.533 4.740 -0.004 0.000 0.196 384 N C 1.319 176.547 175.510 -0.470 0.000 1.034 384 N CA 1.474 54.076 53.050 -0.747 0.000 0.861 384 N CB -0.525 36.915 38.487 -1.744 0.000 1.039 384 N HN 0.314 nan 8.380 nan 0.000 0.427 385 Y N 0.896 121.049 120.300 -0.246 0.000 2.337 385 Y HA 0.065 4.612 4.550 -0.004 0.000 0.293 385 Y C 2.549 178.577 175.900 0.212 0.000 1.123 385 Y CA 0.684 58.799 58.100 0.025 0.000 1.201 385 Y CB -0.173 38.309 38.460 0.037 0.000 1.011 385 Y HN 0.032 nan 8.280 nan 0.000 0.545 386 R N 0.897 121.542 120.500 0.243 0.000 2.091 386 R HA -0.181 4.157 4.340 -0.004 0.000 0.238 386 R C 1.715 178.224 176.300 0.349 0.000 1.136 386 R CA 1.956 58.205 56.100 0.249 0.000 0.959 386 R CB -0.108 30.166 30.300 -0.044 0.000 0.856 386 R HN 0.416 nan 8.270 nan 0.000 0.437 387 E N -0.109 120.238 120.200 0.244 0.000 2.107 387 E HA -0.131 4.217 4.350 -0.004 0.000 0.191 387 E C 1.941 178.737 176.600 0.326 0.000 0.982 387 E CA 0.977 57.535 56.400 0.264 0.000 0.809 387 E CB -0.063 29.743 29.700 0.177 0.000 0.756 387 E HN 0.447 nan 8.360 nan 0.000 0.459 388 A N 1.522 124.568 122.820 0.376 0.000 1.930 388 A HA -0.134 4.183 4.320 -0.004 0.000 0.217 388 A C 2.191 180.054 177.584 0.465 0.000 1.175 388 A CA 0.864 53.173 52.037 0.453 0.000 0.627 388 A CB -0.433 18.814 19.000 0.411 0.000 0.815 388 A HN 0.173 nan 8.150 nan 0.000 0.443 389 L N 0.007 121.585 121.223 0.591 0.000 2.056 389 L HA 0.038 4.376 4.340 -0.004 0.000 0.207 389 L C 2.469 179.404 176.870 0.109 0.000 1.078 389 L CA 2.100 57.162 54.840 0.370 0.000 0.749 389 L CB -1.072 41.219 42.059 0.387 0.000 0.901 389 L HN 0.318 nan 8.230 nan 0.000 0.433 390 G N -1.016 107.893 108.800 0.183 0.000 2.476 390 G HA2 -0.311 3.646 3.960 -0.004 0.000 0.218 390 G HA3 -0.311 3.646 3.960 -0.004 0.000 0.218 390 G C 1.312 176.278 174.900 0.109 0.000 1.164 390 G CA 0.995 46.174 45.100 0.131 0.000 0.768 390 G HN 0.402 nan 8.290 nan 0.000 0.560 391 D N 0.027 120.530 120.400 0.173 0.000 2.117 391 D HA -0.073 4.565 4.640 -0.004 0.000 0.197 391 D C 2.786 179.113 176.300 0.044 0.000 0.987 391 D CA 0.608 54.729 54.000 0.202 0.000 0.829 391 D CB -0.451 40.572 40.800 0.371 0.000 0.961 391 D HN 0.177 nan 8.370 nan 0.000 0.460 392 V N 0.715 120.496 119.914 -0.221 0.000 2.282 392 V HA -0.234 3.883 4.120 -0.004 0.000 0.249 392 V C 2.629 178.628 176.094 -0.158 0.000 1.057 392 V CA 1.240 63.354 62.300 -0.310 0.000 1.032 392 V CB -0.412 31.271 31.823 -0.233 0.000 0.645 392 V HN 0.070 nan 8.190 nan 0.000 0.447 393 V N 0.437 120.239 119.914 -0.186 0.000 2.453 393 V HA -0.095 4.022 4.120 -0.004 0.000 0.247 393 V C 2.534 178.548 176.094 -0.134 0.000 1.048 393 V CA 1.984 64.110 62.300 -0.290 0.000 1.049 393 V CB -1.096 30.377 31.823 -0.583 0.000 0.672 393 V HN 0.615 nan 8.190 nan 0.000 0.457 394 G N -0.625 108.183 108.800 0.012 0.000 2.403 394 G HA2 -0.179 3.778 3.960 -0.004 0.000 0.216 394 G HA3 -0.179 3.778 3.960 -0.004 0.000 0.216 394 G C 1.221 176.195 174.900 0.124 0.000 1.154 394 G CA 0.750 45.956 45.100 0.177 0.000 0.784 394 G HN 0.475 nan 8.290 nan 0.000 0.538 395 D N -0.561 119.862 120.400 0.038 0.000 2.123 395 D HA -0.081 4.557 4.640 -0.004 0.000 0.200 395 D C 1.929 178.024 176.300 -0.343 0.000 0.976 395 D CA 0.632 54.641 54.000 0.014 0.000 0.831 395 D CB -0.279 40.711 40.800 0.316 0.000 0.974 395 D HN 0.311 nan 8.370 nan 0.000 0.469 396 Y N 1.992 121.727 120.300 -0.942 0.000 2.133 396 Y HA -0.082 4.465 4.550 -0.004 0.000 0.287 396 Y C 1.788 177.335 175.900 -0.589 0.000 1.134 396 Y CA 1.414 58.795 58.100 -1.198 0.000 1.133 396 Y CB -0.329 37.237 38.460 -1.490 0.000 0.987 396 Y HN -0.096 nan 8.280 nan 0.000 0.502 397 N N -1.174 117.154 118.700 -0.619 0.000 2.354 397 N HA -0.057 4.681 4.740 -0.004 0.000 0.179 397 N C 0.965 175.993 175.510 -0.803 0.000 1.021 397 N CA 1.446 54.017 53.050 -0.799 0.000 0.887 397 N CB -0.007 37.916 38.487 -0.940 0.000 0.974 397 N HN 0.396 nan 8.380 nan 0.000 0.437 398 F N -0.470 119.451 119.950 -0.050 0.000 2.212 398 F HA 0.335 4.860 4.527 -0.005 0.000 0.262 398 F C 1.995 177.821 175.800 0.043 0.000 0.906 398 F CA -0.409 57.624 58.000 0.055 0.000 1.127 398 F CB 0.116 39.178 39.000 0.103 0.000 1.178 398 F HN -0.208 nan 8.300 nan 0.000 0.779 399 I N 0.016 120.731 120.570 0.242 0.000 2.162 399 I HA -0.240 3.928 4.170 -0.004 0.000 0.238 399 I C 2.106 178.304 176.117 0.134 0.000 1.076 399 I CA 1.193 62.626 61.300 0.222 0.000 1.353 399 I CB -0.549 37.595 38.000 0.241 0.000 1.063 399 I HN 0.280 nan 8.210 nan 0.000 0.408 400 c N 1.204 119.858 118.600 0.090 0.000 2.413 400 c HA -0.074 4.493 4.570 -0.004 0.000 0.276 400 c C 0.260 174.366 174.090 0.027 0.000 1.248 400 c CA 0.804 57.183 56.329 0.083 0.000 1.742 400 c CB -2.196 40.413 42.510 0.165 0.000 2.017 400 c HN 0.379 nan 8.230 nan 0.000 0.481 401 P HA -0.037 nan 4.420 nan 0.000 0.218 401 P C 1.577 178.854 177.300 -0.038 0.000 1.149 401 P CA 2.281 65.318 63.100 -0.105 0.000 0.817 401 P CB -0.182 31.361 31.700 -0.262 0.000 0.785 402 A N -0.527 122.313 122.820 0.033 0.000 1.898 402 A HA -0.138 4.180 4.320 -0.004 0.000 0.216 402 A C 2.209 179.895 177.584 0.170 0.000 1.181 402 A CA 1.325 53.438 52.037 0.127 0.000 0.620 402 A CB -1.608 17.523 19.000 0.219 0.000 0.819 402 A HN 0.104 nan 8.150 nan 0.000 0.442 403 L N -0.941 120.304 121.223 0.036 0.000 2.046 403 L HA -0.190 4.148 4.340 -0.004 0.000 0.208 403 L C 2.663 179.505 176.870 -0.048 0.000 1.077 403 L CA 1.764 56.497 54.840 -0.178 0.000 0.747 403 L CB -0.408 41.530 42.059 -0.203 0.000 0.896 403 L HN 0.480 nan 8.230 nan 0.000 0.432 404 E N 0.199 120.413 120.200 0.023 0.000 2.077 404 E HA -0.274 4.073 4.350 -0.004 0.000 0.193 404 E C 1.985 178.611 176.600 0.043 0.000 0.989 404 E CA 1.342 57.768 56.400 0.044 0.000 0.800 404 E CB -0.322 29.404 29.700 0.044 0.000 0.746 404 E HN 0.332 nan 8.360 nan 0.000 0.452 405 F N 0.790 120.681 119.950 -0.099 0.000 2.091 405 F HA -0.257 4.268 4.527 -0.002 0.000 0.299 405 F C 2.167 177.948 175.800 -0.031 0.000 1.103 405 F CA 2.273 60.206 58.000 -0.111 0.000 1.228 405 F CB -0.730 38.142 39.000 -0.214 0.000 0.984 405 F HN 0.028 nan 8.300 nan 0.000 0.477 406 T N 0.989 115.572 114.554 0.047 0.000 2.746 406 T HA -0.206 4.141 4.350 -0.004 0.000 0.267 406 T C 1.825 176.500 174.700 -0.041 0.000 1.039 406 T CA 1.885 63.929 62.100 -0.094 0.000 1.142 406 T CB -0.302 68.363 68.868 -0.338 0.000 0.866 406 T HN 0.319 nan 8.240 nan 0.000 0.444 407 K N 1.060 121.502 120.400 0.071 0.000 2.026 407 K HA -0.051 4.266 4.320 -0.004 0.000 0.208 407 K C 2.412 179.095 176.600 0.139 0.000 1.048 407 K CA 0.861 57.289 56.287 0.234 0.000 0.929 407 K CB -0.104 32.527 32.500 0.218 0.000 0.713 407 K HN 0.119 nan 8.250 nan 0.000 0.439 408 K N 0.728 121.164 120.400 0.061 0.000 2.097 408 K HA -0.097 4.221 4.320 -0.004 0.000 0.205 408 K C 2.017 178.719 176.600 0.170 0.000 1.050 408 K CA 1.110 57.459 56.287 0.105 0.000 0.938 408 K CB -0.427 32.113 32.500 0.065 0.000 0.718 408 K HN 0.136 nan 8.250 nan 0.000 0.442 409 F N 2.109 121.916 119.950 -0.238 0.000 2.186 409 F HA -0.229 4.295 4.527 -0.004 0.000 0.299 409 F C 2.471 178.346 175.800 0.125 0.000 1.090 409 F CA 1.806 59.642 58.000 -0.274 0.000 1.307 409 F CB -0.069 38.527 39.000 -0.673 0.000 1.019 409 F HN 0.076 nan 8.300 nan 0.000 0.489 410 S N -1.111 114.766 115.700 0.295 0.000 2.470 410 S HA -0.083 4.384 4.470 -0.004 0.000 0.225 410 S C 1.668 176.361 174.600 0.155 0.000 1.006 410 S CA 0.687 59.050 58.200 0.270 0.000 0.934 410 S CB -0.536 62.837 63.200 0.288 0.000 0.778 410 S HN 0.512 nan 8.310 nan 0.000 0.517 411 E N 0.008 120.272 120.200 0.107 0.000 2.401 411 E HA -0.073 4.274 4.350 -0.004 0.000 0.199 411 E C 0.155 176.597 176.600 -0.263 0.000 1.023 411 E CA 0.855 57.204 56.400 -0.086 0.000 0.859 411 E CB -0.127 29.481 29.700 -0.153 0.000 0.780 411 E HN 0.783 nan 8.360 nan 0.000 0.523 412 W N -0.294 121.011 121.300 0.008 0.000 3.325 412 W HA 0.273 4.934 4.660 0.002 0.000 0.370 412 W C 1.152 177.639 176.519 -0.053 0.000 1.169 412 W CA 0.442 57.758 57.345 -0.048 0.000 1.874 412 W CB 0.784 30.182 29.460 -0.104 0.000 1.076 412 W HN 0.074 nan 8.180 nan 0.000 0.684 413 G N 0.384 109.248 108.800 0.107 0.000 2.176 413 G HA2 -0.279 3.679 3.960 -0.004 0.000 0.232 413 G HA3 -0.279 3.679 3.960 -0.004 0.000 0.232 413 G C -0.039 174.923 174.900 0.102 0.000 0.986 413 G CA -0.495 44.650 45.100 0.075 0.000 0.643 413 G HN 0.308 nan 8.290 nan 0.000 0.522 414 N N 0.865 119.656 118.700 0.151 0.000 2.509 414 N HA 0.489 5.227 4.740 -0.004 0.000 0.287 414 N C -0.097 175.526 175.510 0.187 0.000 1.121 414 N CA -0.764 52.406 53.050 0.199 0.000 0.977 414 N CB 0.431 39.116 38.487 0.329 0.000 1.167 414 N HN 0.139 nan 8.380 nan 0.000 0.476 415 N N 0.966 119.748 118.700 0.136 0.000 2.412 415 N HA 0.245 4.983 4.740 -0.004 0.000 0.258 415 N C -0.938 174.547 175.510 -0.043 0.000 1.236 415 N CA 0.185 53.232 53.050 -0.004 0.000 0.882 415 N CB 0.515 39.031 38.487 0.049 0.000 1.066 415 N HN 0.561 nan 8.380 nan 0.000 0.465 416 A N 1.969 124.589 122.820 -0.332 0.000 2.475 416 A HA 0.788 5.106 4.320 -0.004 0.000 0.301 416 A C -1.420 175.812 177.584 -0.587 0.000 1.059 416 A CA -0.636 51.275 52.037 -0.210 0.000 0.710 416 A CB 0.909 19.939 19.000 0.049 0.000 1.288 416 A HN 0.465 nan 8.150 nan 0.000 0.408 417 F N 0.641 120.573 119.950 -0.030 0.000 2.547 417 F HA 0.644 5.169 4.527 -0.003 0.000 0.316 417 F C -0.716 175.203 175.800 0.199 0.000 1.121 417 F CA -0.437 57.502 58.000 -0.102 0.000 0.911 417 F CB 2.138 40.575 39.000 -0.939 0.000 1.179 417 F HN 0.542 nan 8.300 nan 0.000 0.443 418 F N 4.288 124.664 119.950 0.711 0.000 2.520 418 F HA 0.604 5.129 4.527 -0.004 0.000 0.322 418 F C -1.079 175.229 175.800 0.845 0.000 1.103 418 F CA -1.238 57.086 58.000 0.540 0.000 0.926 418 F CB 1.187 40.310 39.000 0.205 0.000 1.154 418 F HN 0.436 nan 8.300 nan 0.000 0.453 419 Y N 3.960 124.457 120.300 0.329 0.000 2.524 419 Y HA 0.641 5.189 4.550 -0.004 0.000 0.344 419 Y C -2.148 173.980 175.900 0.380 0.000 1.012 419 Y CA -1.733 56.570 58.100 0.337 0.000 1.068 419 Y CB 1.124 39.720 38.460 0.226 0.000 1.249 419 Y HN 0.565 nan 8.280 nan 0.000 0.468 420 Y N 4.774 125.375 120.300 0.501 0.000 2.447 420 Y HA 0.407 4.955 4.550 -0.004 0.000 0.325 420 Y C -1.739 174.439 175.900 0.464 0.000 0.976 420 Y CA -2.517 55.829 58.100 0.409 0.000 1.280 420 Y CB 0.523 39.240 38.460 0.427 0.000 1.104 420 Y HN 0.757 nan 8.280 nan 0.000 0.486 421 F N 6.918 126.979 119.950 0.184 0.000 2.444 421 F HA 0.248 4.773 4.527 -0.005 0.000 0.360 421 F C 0.756 176.421 175.800 -0.224 0.000 1.106 421 F CA 0.142 58.168 58.000 0.044 0.000 1.170 421 F CB 0.613 39.713 39.000 0.167 0.000 1.113 421 F HN 0.676 nan 8.300 nan 0.000 0.521 422 E N 3.631 123.436 120.200 -0.659 0.000 2.876 422 E HA 0.066 4.413 4.350 -0.004 0.000 0.208 422 E C -0.908 175.410 176.600 -0.471 0.000 0.981 422 E CA -0.461 55.650 56.400 -0.482 0.000 1.174 422 E CB -0.173 29.349 29.700 -0.296 0.000 1.047 422 E HN 0.660 nan 8.360 nan 0.000 0.477 423 H N 1.445 119.946 119.070 -0.948 0.000 2.488 423 H HA 0.346 4.899 4.556 -0.004 0.000 0.322 423 H C -0.757 174.351 175.328 -0.366 0.000 1.078 423 H CA -0.636 55.023 56.048 -0.649 0.000 1.260 423 H CB 1.124 30.412 29.762 -0.791 0.000 1.425 423 H HN 0.009 nan 8.280 nan 0.000 0.471 424 R N 4.360 124.407 120.500 -0.754 0.000 2.248 424 R HA 0.172 4.510 4.340 -0.004 0.000 0.328 424 R C -0.313 175.634 176.300 -0.587 0.000 1.067 424 R CA -0.296 55.507 56.100 -0.496 0.000 0.924 424 R CB 0.427 30.558 30.300 -0.283 0.000 1.013 424 R HN 0.701 nan 8.270 nan 0.000 0.454 425 S N 1.987 117.636 115.700 -0.085 0.000 2.558 425 S HA -0.079 4.389 4.470 -0.004 0.000 0.293 425 S C 1.383 176.051 174.600 0.114 0.000 1.292 425 S CA 0.290 58.645 58.200 0.257 0.000 1.063 425 S CB 0.599 64.065 63.200 0.443 0.000 0.831 425 S HN 0.784 nan 8.310 nan 0.000 0.499 426 S N 3.862 119.685 115.700 0.204 0.000 2.522 426 S HA 0.097 4.565 4.470 -0.004 0.000 0.227 426 S C 1.043 175.644 174.600 0.002 0.000 0.986 426 S CA 0.349 58.601 58.200 0.087 0.000 0.929 426 S CB -0.127 63.146 63.200 0.122 0.000 0.769 426 S HN 0.781 nan 8.310 nan 0.000 0.529 427 K N 0.580 120.971 120.400 -0.015 0.000 2.358 427 K HA 0.313 4.631 4.320 -0.004 0.000 0.197 427 K C -0.170 176.400 176.600 -0.050 0.000 1.025 427 K CA -0.377 55.846 56.287 -0.106 0.000 1.104 427 K CB 0.161 32.497 32.500 -0.272 0.000 0.855 427 K HN 0.279 nan 8.250 nan 0.000 0.531 428 L N 3.168 124.382 121.223 -0.016 0.000 2.628 428 L HA -0.007 4.330 4.340 -0.004 0.000 0.274 428 L C -1.525 175.303 176.870 -0.070 0.000 1.209 428 L CA -0.197 54.606 54.840 -0.061 0.000 0.930 428 L CB 0.590 42.588 42.059 -0.102 0.000 1.183 428 L HN 0.037 nan 8.230 nan 0.000 0.492 429 P HA -0.045 nan 4.420 nan 0.000 0.230 429 P C -0.239 177.023 177.300 -0.064 0.000 1.168 429 P CA 0.352 63.346 63.100 -0.176 0.000 0.793 429 P CB 0.137 31.559 31.700 -0.464 0.000 0.851 430 W N 2.675 123.966 121.300 -0.015 0.000 2.137 430 W HA 0.203 4.861 4.660 -0.004 0.000 0.344 430 W C -1.495 174.929 176.519 -0.157 0.000 1.286 430 W CA -1.583 55.738 57.345 -0.040 0.000 1.240 430 W CB -0.940 28.400 29.460 -0.201 0.000 1.141 430 W HN -0.056 nan 8.180 nan 0.000 0.579 431 P HA 0.051 nan 4.420 nan 0.000 0.275 431 P C 0.027 177.223 177.300 -0.173 0.000 1.266 431 P CA 0.075 63.136 63.100 -0.065 0.000 0.793 431 P CB 0.893 32.586 31.700 -0.012 0.000 1.074 432 E N -0.130 120.035 120.200 -0.057 0.000 2.152 432 E HA -0.095 4.252 4.350 -0.004 0.000 0.192 432 E C 1.771 178.372 176.600 0.002 0.000 0.983 432 E CA 0.956 57.341 56.400 -0.026 0.000 0.818 432 E CB -0.316 29.407 29.700 0.038 0.000 0.758 432 E HN 0.652 nan 8.360 nan 0.000 0.467 433 W N 0.399 121.736 121.300 0.061 0.000 2.468 433 W HA -0.092 4.565 4.660 -0.004 0.000 0.262 433 W C 1.315 177.885 176.519 0.084 0.000 1.241 433 W CA 0.428 57.818 57.345 0.074 0.000 1.232 433 W CB -0.572 28.941 29.460 0.088 0.000 1.124 433 W HN 0.016 nan 8.180 nan 0.000 0.597 434 M N 1.149 120.395 119.600 -0.589 0.000 2.419 434 M HA 0.139 4.616 4.480 -0.004 0.000 0.264 434 M C 1.751 177.915 176.300 -0.226 0.000 1.082 434 M CA 1.603 56.538 55.300 -0.609 0.000 1.119 434 M CB -0.542 31.533 32.600 -0.875 0.000 1.398 434 M HN 0.154 nan 8.290 nan 0.000 0.453 435 G N 0.402 109.119 108.800 -0.137 0.000 2.550 435 G HA2 -0.279 3.679 3.960 -0.004 0.000 0.277 435 G HA3 -0.279 3.679 3.960 -0.004 0.000 0.277 435 G C -0.224 174.624 174.900 -0.086 0.000 1.190 435 G CA -0.291 44.769 45.100 -0.066 0.000 0.971 435 G HN 0.185 nan 8.290 nan 0.000 0.559 436 V N 1.881 121.770 119.914 -0.042 0.000 2.267 436 V HA 0.437 4.554 4.120 -0.004 0.000 0.254 436 V C 1.081 177.207 176.094 0.052 0.000 1.144 436 V CA 0.334 62.635 62.300 0.003 0.000 0.992 436 V CB 0.327 32.141 31.823 -0.015 0.000 1.199 436 V HN 0.525 nan 8.190 nan 0.000 0.493 437 M N 2.180 121.798 119.600 0.030 0.000 2.228 437 M HA 0.288 4.765 4.480 -0.004 0.000 0.326 437 M C 0.612 176.990 176.300 0.130 0.000 1.122 437 M CA -0.526 54.779 55.300 0.009 0.000 1.161 437 M CB 0.335 32.844 32.600 -0.152 0.000 1.437 437 M HN 0.643 nan 8.290 nan 0.000 0.465 438 H N 0.753 119.761 119.070 -0.103 0.000 3.214 438 H HA 0.087 4.641 4.556 -0.004 0.000 0.291 438 H C 0.947 176.164 175.328 -0.186 0.000 0.926 438 H CA 2.013 57.926 56.048 -0.225 0.000 1.409 438 H CB -0.042 29.477 29.762 -0.405 0.000 1.406 438 H HN 0.748 nan 8.280 nan 0.000 0.561 439 G N 3.565 112.020 108.800 -0.576 0.000 2.179 439 G HA2 -0.287 3.670 3.960 -0.004 0.000 0.220 439 G HA3 -0.287 3.670 3.960 -0.004 0.000 0.220 439 G C 0.392 175.080 174.900 -0.352 0.000 0.990 439 G CA 0.288 45.017 45.100 -0.618 0.000 0.646 439 G HN 0.636 nan 8.290 nan 0.000 0.517 440 Y N 1.036 121.350 120.300 0.023 0.000 2.607 440 Y HA 0.278 4.825 4.550 -0.004 0.000 0.266 440 Y C 2.139 178.091 175.900 0.088 0.000 1.178 440 Y CA 0.543 58.738 58.100 0.159 0.000 1.226 440 Y CB 0.573 39.153 38.460 0.201 0.000 1.144 440 Y HN 0.434 nan 8.280 nan 0.000 0.528 441 E N 0.386 120.468 120.200 -0.197 0.000 2.318 441 E HA -0.058 4.290 4.350 -0.004 0.000 0.193 441 E C 1.553 178.034 176.600 -0.199 0.000 0.998 441 E CA 0.729 56.707 56.400 -0.704 0.000 0.859 441 E CB -0.236 28.715 29.700 -1.247 0.000 0.812 441 E HN 0.541 nan 8.360 nan 0.000 0.492 442 I N 2.785 123.329 120.570 -0.043 0.000 2.127 442 I HA -0.304 3.864 4.170 -0.004 0.000 0.241 442 I C 2.727 178.878 176.117 0.057 0.000 1.075 442 I CA 2.101 63.437 61.300 0.061 0.000 1.334 442 I CB -0.574 37.529 38.000 0.171 0.000 1.040 442 I HN 0.207 nan 8.210 nan 0.000 0.405 443 E N 1.128 121.328 120.200 0.001 0.000 2.219 443 E HA -0.255 4.093 4.350 -0.004 0.000 0.198 443 E C 2.073 178.514 176.600 -0.264 0.000 0.998 443 E CA 1.581 57.899 56.400 -0.138 0.000 0.818 443 E CB -0.588 29.029 29.700 -0.138 0.000 0.741 443 E HN 0.433 nan 8.360 nan 0.000 0.477 444 F N 1.290 121.141 119.950 -0.164 0.000 2.163 444 F HA -0.088 4.437 4.527 -0.004 0.000 0.297 444 F C 2.505 178.113 175.800 -0.320 0.000 1.094 444 F CA 0.826 58.691 58.000 -0.226 0.000 1.290 444 F CB -0.431 38.492 39.000 -0.128 0.000 1.017 444 F HN -0.137 nan 8.300 nan 0.000 0.483 445 V N -0.881 118.898 119.914 -0.225 0.000 2.343 445 V HA -0.291 3.826 4.120 -0.004 0.000 0.247 445 V C 1.865 177.737 176.094 -0.369 0.000 1.051 445 V CA 1.696 63.699 62.300 -0.496 0.000 1.036 445 V CB -0.684 30.825 31.823 -0.524 0.000 0.654 445 V HN 0.211 nan 8.190 nan 0.000 0.451 446 F N 0.391 120.192 119.950 -0.248 0.000 2.811 446 F HA 0.360 4.885 4.527 -0.004 0.000 0.301 446 F C 1.808 177.521 175.800 -0.145 0.000 1.151 446 F CA 0.810 58.703 58.000 -0.178 0.000 1.412 446 F CB -0.228 38.639 39.000 -0.221 0.000 1.113 446 F HN 0.280 nan 8.300 nan 0.000 0.579 447 G N 0.322 109.042 108.800 -0.134 0.000 2.137 447 G HA2 -0.268 3.689 3.960 -0.004 0.000 0.237 447 G HA3 -0.268 3.689 3.960 -0.004 0.000 0.237 447 G C 1.041 175.614 174.900 -0.545 0.000 1.002 447 G CA 0.353 45.297 45.100 -0.260 0.000 0.702 447 G HN 0.376 nan 8.290 nan 0.000 0.515 448 L N -0.715 120.163 121.223 -0.575 0.000 2.131 448 L HA -0.032 4.306 4.340 -0.004 0.000 0.210 448 L C 0.003 176.439 176.870 -0.723 0.000 1.092 448 L CA 1.662 56.099 54.840 -0.671 0.000 0.759 448 L CB -1.384 40.436 42.059 -0.399 0.000 0.903 448 L HN 0.173 nan 8.230 nan 0.000 0.435 449 P HA -0.099 nan 4.420 nan 0.000 0.230 449 P C 1.827 178.831 177.300 -0.495 0.000 1.158 449 P CA 0.934 63.413 63.100 -1.036 0.000 0.769 449 P CB 0.070 31.015 31.700 -1.259 0.000 0.807 450 L N -0.953 119.994 121.223 -0.459 0.000 2.275 450 L HA -0.080 4.258 4.340 -0.004 0.000 0.215 450 L C 1.218 177.904 176.870 -0.306 0.000 1.119 450 L CA 0.658 55.268 54.840 -0.384 0.000 0.790 450 L CB -0.820 41.028 42.059 -0.353 0.000 0.919 450 L HN -0.017 nan 8.230 nan 0.000 0.443 451 E N 0.735 120.841 120.200 -0.156 0.000 2.081 451 E HA -0.009 4.338 4.350 -0.004 0.000 0.270 451 E C 1.109 177.731 176.600 0.036 0.000 1.180 451 E CA 0.120 56.566 56.400 0.077 0.000 0.926 451 E CB 0.524 30.260 29.700 0.060 0.000 1.035 451 E HN 0.054 nan 8.360 nan 0.000 0.418 452 R N 2.874 123.387 120.500 0.021 0.000 2.103 452 R HA -0.137 4.200 4.340 -0.004 0.000 0.242 452 R C 1.628 177.950 176.300 0.037 0.000 1.142 452 R CA 1.718 57.825 56.100 0.012 0.000 0.960 452 R CB -0.022 30.273 30.300 -0.008 0.000 0.858 452 R HN 0.474 nan 8.270 nan 0.000 0.439 453 R N -0.122 120.413 120.500 0.058 0.000 2.303 453 R HA -0.145 4.193 4.340 -0.004 0.000 0.225 453 R C 0.700 177.016 176.300 0.026 0.000 1.114 453 R CA 1.224 57.349 56.100 0.042 0.000 1.007 453 R CB -0.129 30.204 30.300 0.055 0.000 0.861 453 R HN 0.217 nan 8.270 nan 0.000 0.471 454 D N -1.032 119.396 120.400 0.046 0.000 2.368 454 D HA 0.023 4.660 4.640 -0.004 0.000 0.218 454 D C 0.241 176.500 176.300 -0.068 0.000 1.112 454 D CA -0.038 53.980 54.000 0.029 0.000 0.834 454 D CB 0.455 41.325 40.800 0.116 0.000 0.953 454 D HN -0.038 nan 8.370 nan 0.000 0.505 455 Q N -2.083 117.682 119.800 -0.060 0.000 3.148 455 Q HA -0.220 4.118 4.340 -0.004 0.000 0.170 455 Q C -0.716 175.210 176.000 -0.124 0.000 0.743 455 Q CA 0.616 56.338 55.803 -0.135 0.000 1.127 455 Q CB -1.314 27.273 28.738 -0.252 0.000 0.919 455 Q HN 0.431 nan 8.270 nan 0.000 1.094 456 Y N 1.419 121.691 120.300 -0.046 0.000 2.426 456 Y HA 0.251 4.799 4.550 -0.004 0.000 0.344 456 Y C 1.520 177.410 175.900 -0.017 0.000 1.256 456 Y CA 0.679 58.761 58.100 -0.031 0.000 1.451 456 Y CB 0.495 38.906 38.460 -0.082 0.000 1.342 456 Y HN 0.156 nan 8.280 nan 0.000 0.600 457 T N -1.527 113.141 114.554 0.190 0.000 2.828 457 T HA 0.121 4.469 4.350 -0.004 0.000 0.290 457 T C 1.107 175.844 174.700 0.062 0.000 1.019 457 T CA -0.803 61.357 62.100 0.100 0.000 1.031 457 T CB 1.063 69.991 68.868 0.099 0.000 1.001 457 T HN 0.682 nan 8.240 nan 0.000 0.531 458 K N 1.179 121.594 120.400 0.025 0.000 2.063 458 K HA -0.052 4.266 4.320 -0.004 0.000 0.208 458 K C 2.376 178.967 176.600 -0.015 0.000 1.048 458 K CA 1.785 58.069 56.287 -0.005 0.000 0.928 458 K CB -1.090 31.403 32.500 -0.011 0.000 0.713 458 K HN 0.768 nan 8.250 nan 0.000 0.442 459 A N 0.323 123.139 122.820 -0.008 0.000 2.067 459 A HA -0.121 4.197 4.320 -0.004 0.000 0.219 459 A C 1.846 179.395 177.584 -0.058 0.000 1.158 459 A CA 1.583 53.598 52.037 -0.035 0.000 0.661 459 A CB -0.383 18.597 19.000 -0.034 0.000 0.801 459 A HN 0.501 nan 8.150 nan 0.000 0.452 460 E N -0.748 119.449 120.200 -0.006 0.000 2.112 460 E HA -0.134 4.214 4.350 -0.004 0.000 0.190 460 E C 1.970 178.559 176.600 -0.019 0.000 0.979 460 E CA 0.710 57.143 56.400 0.055 0.000 0.814 460 E CB -0.080 29.749 29.700 0.216 0.000 0.762 460 E HN 0.767 nan 8.360 nan 0.000 0.460 461 E N 0.718 120.872 120.200 -0.078 0.000 2.070 461 E HA -0.224 4.124 4.350 -0.004 0.000 0.197 461 E C 1.970 178.504 176.600 -0.109 0.000 1.004 461 E CA 0.967 57.283 56.400 -0.139 0.000 0.805 461 E CB 0.128 29.758 29.700 -0.117 0.000 0.744 461 E HN 0.137 nan 8.360 nan 0.000 0.451 462 I N 0.936 121.461 120.570 -0.075 0.000 2.286 462 I HA -0.209 3.959 4.170 -0.004 0.000 0.245 462 I C 2.524 178.609 176.117 -0.055 0.000 1.104 462 I CA 0.643 61.904 61.300 -0.065 0.000 1.397 462 I CB -1.058 36.909 38.000 -0.055 0.000 1.072 462 I HN 0.266 nan 8.210 nan 0.000 0.417 463 L N 0.368 121.559 121.223 -0.054 0.000 2.042 463 L HA -0.197 4.140 4.340 -0.004 0.000 0.210 463 L C 2.724 179.606 176.870 0.021 0.000 1.076 463 L CA 1.950 56.763 54.840 -0.045 0.000 0.749 463 L CB -0.798 41.184 42.059 -0.128 0.000 0.893 463 L HN 0.134 nan 8.230 nan 0.000 0.432 464 S N -0.999 114.736 115.700 0.058 0.000 2.383 464 S HA -0.222 4.246 4.470 -0.004 0.000 0.227 464 S C 2.235 176.784 174.600 -0.086 0.000 1.026 464 S CA 1.266 59.461 58.200 -0.009 0.000 0.981 464 S CB -0.321 62.754 63.200 -0.209 0.000 0.818 464 S HN 0.514 nan 8.310 nan 0.000 0.472 465 R N 1.039 121.487 120.500 -0.087 0.000 2.115 465 R HA 0.087 4.424 4.340 -0.004 0.000 0.230 465 R C 2.469 178.750 176.300 -0.032 0.000 1.111 465 R CA 1.916 57.972 56.100 -0.074 0.000 0.976 465 R CB -1.003 29.249 30.300 -0.080 0.000 0.870 465 R HN 0.384 nan 8.270 nan 0.000 0.445 466 S N -0.580 115.108 115.700 -0.020 0.000 2.371 466 S HA 0.028 4.495 4.470 -0.004 0.000 0.224 466 S C 1.877 176.506 174.600 0.048 0.000 1.029 466 S CA 1.012 59.223 58.200 0.017 0.000 0.978 466 S CB -0.175 63.030 63.200 0.009 0.000 0.833 466 S HN 0.386 nan 8.310 nan 0.000 0.466 467 I N 1.153 121.713 120.570 -0.017 0.000 2.179 467 I HA -0.125 4.043 4.170 -0.004 0.000 0.242 467 I C 2.327 178.386 176.117 -0.097 0.000 1.088 467 I CA 0.911 62.148 61.300 -0.105 0.000 1.357 467 I CB -0.456 37.333 38.000 -0.351 0.000 1.051 467 I HN 0.189 nan 8.210 nan 0.000 0.409 468 V N 1.165 121.002 119.914 -0.128 0.000 2.252 468 V HA -0.342 3.775 4.120 -0.004 0.000 0.249 468 V C 2.577 178.709 176.094 0.063 0.000 1.056 468 V CA 2.193 64.450 62.300 -0.072 0.000 1.022 468 V CB -0.684 31.090 31.823 -0.080 0.000 0.641 468 V HN 0.373 nan 8.190 nan 0.000 0.445 469 K N 0.605 121.049 120.400 0.074 0.000 2.044 469 K HA -0.195 4.123 4.320 -0.004 0.000 0.210 469 K C 2.208 178.918 176.600 0.184 0.000 1.049 469 K CA 1.774 58.129 56.287 0.113 0.000 0.927 469 K CB -0.428 32.128 32.500 0.094 0.000 0.713 469 K HN 0.404 nan 8.250 nan 0.000 0.443 470 R N -1.157 119.504 120.500 0.269 0.000 2.075 470 R HA -0.089 4.249 4.340 -0.004 0.000 0.232 470 R C 2.453 178.964 176.300 0.351 0.000 1.126 470 R CA 1.557 57.862 56.100 0.342 0.000 0.963 470 R CB -0.479 30.128 30.300 0.511 0.000 0.858 470 R HN 0.391 nan 8.270 nan 0.000 0.435 471 W N 0.629 121.934 121.300 0.009 0.000 2.338 471 W HA -0.188 4.471 4.660 -0.003 0.000 0.304 471 W C 2.343 178.839 176.519 -0.040 0.000 1.212 471 W CA 0.963 58.282 57.345 -0.043 0.000 1.264 471 W CB -0.117 29.264 29.460 -0.132 0.000 1.142 471 W HN 0.245 nan 8.180 nan 0.000 0.512 472 A N 0.257 123.173 122.820 0.160 0.000 1.897 472 A HA -0.178 4.140 4.320 -0.004 0.000 0.215 472 A C 1.728 179.286 177.584 -0.044 0.000 1.181 472 A CA 1.532 53.580 52.037 0.018 0.000 0.620 472 A CB -0.960 18.049 19.000 0.015 0.000 0.821 472 A HN 0.188 nan 8.150 nan 0.000 0.443 473 N N -0.735 117.993 118.700 0.046 0.000 2.120 473 N HA -0.145 4.593 4.740 -0.004 0.000 0.188 473 N C 1.384 176.880 175.510 -0.023 0.000 1.024 473 N CA 1.412 54.504 53.050 0.069 0.000 0.852 473 N CB -0.619 37.992 38.487 0.207 0.000 1.003 473 N HN 0.510 nan 8.380 nan 0.000 0.424 474 F N 1.683 121.528 119.950 -0.175 0.000 2.069 474 F HA -0.186 4.337 4.527 -0.005 0.000 0.298 474 F C 2.188 177.858 175.800 -0.217 0.000 1.113 474 F CA 1.638 59.481 58.000 -0.261 0.000 1.214 474 F CB -0.593 38.163 39.000 -0.406 0.000 0.978 474 F HN 0.050 nan 8.300 nan 0.000 0.474 475 A N 0.376 123.073 122.820 -0.205 0.000 1.865 475 A HA -0.232 4.086 4.320 -0.004 0.000 0.217 475 A C 2.233 179.591 177.584 -0.377 0.000 1.191 475 A CA 2.167 54.032 52.037 -0.286 0.000 0.623 475 A CB -0.731 18.171 19.000 -0.165 0.000 0.826 475 A HN 0.512 nan 8.150 nan 0.000 0.444 476 K N -1.992 118.113 120.400 -0.492 0.000 2.103 476 K HA -0.063 4.254 4.320 -0.004 0.000 0.204 476 K C 0.954 177.137 176.600 -0.696 0.000 1.052 476 K CA 1.661 57.503 56.287 -0.742 0.000 0.945 476 K CB -0.185 31.516 32.500 -1.331 0.000 0.722 476 K HN 0.741 nan 8.250 nan 0.000 0.443 477 Y N -1.263 118.948 120.300 -0.147 0.000 2.563 477 Y HA 0.268 4.815 4.550 -0.004 0.000 0.250 477 Y C 1.034 176.824 175.900 -0.183 0.000 1.126 477 Y CA -0.274 57.749 58.100 -0.127 0.000 1.231 477 Y CB 1.469 39.886 38.460 -0.072 0.000 1.288 477 Y HN 0.159 nan 8.280 nan 0.000 0.537 478 G N 1.697 110.328 108.800 -0.281 0.000 2.153 478 G HA2 -0.326 3.632 3.960 -0.004 0.000 0.252 478 G HA3 -0.326 3.632 3.960 -0.004 0.000 0.252 478 G C -0.340 174.469 174.900 -0.151 0.000 0.994 478 G CA 0.442 45.306 45.100 -0.393 0.000 0.698 478 G HN 0.360 nan 8.290 nan 0.000 0.521 479 N N -0.257 118.373 118.700 -0.116 0.000 2.571 479 N HA 0.398 5.136 4.740 -0.004 0.000 0.286 479 N C -2.709 172.676 175.510 -0.207 0.000 1.138 479 N CA -1.713 51.223 53.050 -0.189 0.000 0.859 479 N CB 2.204 40.681 38.487 -0.018 0.000 1.414 479 N HN -0.018 nan 8.380 nan 0.000 0.529 480 P HA 0.108 nan 4.420 nan 0.000 0.220 480 P C -0.691 176.630 177.300 0.035 0.000 1.778 480 P CA -0.112 62.831 63.100 -0.262 0.000 0.912 480 P CB 0.078 31.326 31.700 -0.752 0.000 1.861 481 Q N 0.594 120.435 119.800 0.069 0.000 2.227 481 Q HA 0.286 4.624 4.340 -0.004 0.000 0.245 481 Q C 0.198 176.294 176.000 0.159 0.000 0.926 481 Q CA -0.263 55.631 55.803 0.152 0.000 0.895 481 Q CB 1.562 30.368 28.738 0.113 0.000 1.230 481 Q HN 0.223 nan 8.270 nan 0.000 0.450 482 E N 1.654 121.948 120.200 0.157 0.000 2.073 482 E HA 0.143 4.491 4.350 -0.004 0.000 0.269 482 E C 0.032 176.687 176.600 0.093 0.000 0.917 482 E CA -0.170 56.302 56.400 0.121 0.000 0.757 482 E CB 0.864 30.631 29.700 0.112 0.000 1.111 482 E HN 0.699 nan 8.360 nan 0.000 0.410 483 T N 0.993 115.592 114.554 0.076 0.000 3.057 483 T HA 0.037 4.384 4.350 -0.004 0.000 0.254 483 T C 1.187 175.913 174.700 0.043 0.000 1.094 483 T CA 0.439 62.574 62.100 0.057 0.000 1.088 483 T CB 0.221 69.113 68.868 0.040 0.000 0.934 483 T HN 0.359 nan 8.240 nan 0.000 0.497 484 Q N 0.726 120.551 119.800 0.042 0.000 2.373 484 Q HA 0.252 4.589 4.340 -0.004 0.000 0.210 484 Q C 0.554 176.570 176.000 0.027 0.000 0.913 484 Q CA 0.252 56.074 55.803 0.031 0.000 0.911 484 Q CB 0.267 29.022 28.738 0.029 0.000 1.040 484 Q HN 0.317 nan 8.270 nan 0.000 0.521 485 N N 1.599 120.317 118.700 0.030 0.000 2.546 485 N HA 0.076 4.813 4.740 -0.004 0.000 0.286 485 N C -1.159 174.364 175.510 0.022 0.000 1.259 485 N CA -0.027 53.036 53.050 0.022 0.000 0.939 485 N CB 0.612 39.108 38.487 0.017 0.000 1.243 485 N HN 0.089 nan 8.380 nan 0.000 0.511 486 Q N -1.038 118.778 119.800 0.026 0.000 2.426 486 Q HA -0.189 4.149 4.340 -0.004 0.000 0.359 486 Q C -0.567 175.451 176.000 0.031 0.000 1.381 486 Q CA 0.577 56.397 55.803 0.028 0.000 1.060 486 Q CB -2.053 26.697 28.738 0.021 0.000 1.253 486 Q HN 0.152 nan 8.270 nan 0.000 0.363 487 S N -0.133 115.593 115.700 0.043 0.000 2.646 487 S HA 0.440 4.908 4.470 -0.004 0.000 0.276 487 S C 0.439 175.074 174.600 0.058 0.000 1.222 487 S CA -0.814 57.415 58.200 0.049 0.000 1.014 487 S CB 1.325 64.564 63.200 0.066 0.000 0.991 487 S HN 0.373 nan 8.310 nan 0.000 0.533 488 T N 2.419 117.004 114.554 0.050 0.000 2.853 488 T HA 0.095 4.443 4.350 -0.004 0.000 0.298 488 T C 0.371 175.134 174.700 0.105 0.000 0.978 488 T CA 0.155 62.289 62.100 0.056 0.000 1.152 488 T CB 0.550 69.432 68.868 0.023 0.000 0.914 488 T HN 0.487 nan 8.240 nan 0.000 0.539 489 S N 3.549 119.325 115.700 0.127 0.000 2.481 489 S HA 0.117 4.585 4.470 -0.004 0.000 0.276 489 S C -0.322 174.453 174.600 0.292 0.000 1.247 489 S CA -0.766 57.548 58.200 0.191 0.000 1.053 489 S CB 0.012 63.306 63.200 0.156 0.000 0.925 489 S HN 0.653 nan 8.310 nan 0.000 0.491 490 W N 9.091 130.484 121.300 0.156 0.000 2.507 490 W HA 0.332 4.988 4.660 -0.006 0.000 0.334 490 W C -2.418 174.305 176.519 0.340 0.000 1.165 490 W CA -2.974 54.512 57.345 0.235 0.000 1.460 490 W CB -0.023 29.561 29.460 0.206 0.000 1.404 490 W HN 0.515 nan 8.180 nan 0.000 0.435 491 P HA 0.029 nan 4.420 nan 0.000 0.271 491 P C -0.078 177.519 177.300 0.495 0.000 1.218 491 P CA 0.028 63.409 63.100 0.468 0.000 0.780 491 P CB 1.232 33.117 31.700 0.309 0.000 0.901 492 V N 0.957 121.005 119.914 0.224 0.000 2.924 492 V HA 0.244 4.362 4.120 -0.004 0.000 0.305 492 V C -0.052 176.090 176.094 0.080 0.000 1.073 492 V CA -0.623 61.599 62.300 -0.130 0.000 1.098 492 V CB -0.318 31.334 31.823 -0.285 0.000 1.000 492 V HN 0.352 nan 8.190 nan 0.000 0.484 493 F N 4.176 124.077 119.950 -0.081 0.000 2.472 493 F HA 0.530 5.056 4.527 -0.001 0.000 0.364 493 F C 0.555 176.358 175.800 0.005 0.000 1.090 493 F CA 0.022 58.050 58.000 0.047 0.000 1.188 493 F CB 0.369 39.438 39.000 0.116 0.000 1.105 493 F HN 0.621 nan 8.300 nan 0.000 0.536 494 K N 4.130 124.390 120.400 -0.234 0.000 2.371 494 K HA 0.407 4.725 4.320 -0.004 0.000 0.251 494 K C -0.601 175.812 176.600 -0.312 0.000 0.934 494 K CA -0.978 55.229 56.287 -0.133 0.000 0.798 494 K CB 1.868 34.311 32.500 -0.095 0.000 1.204 494 K HN 0.626 nan 8.250 nan 0.000 0.427 495 S N 0.706 116.341 115.700 -0.109 0.000 2.593 495 S HA 0.278 4.745 4.470 -0.004 0.000 0.269 495 S C 0.865 175.394 174.600 -0.119 0.000 1.334 495 S CA 0.356 58.491 58.200 -0.109 0.000 1.015 495 S CB 0.930 64.139 63.200 0.016 0.000 0.912 495 S HN 1.025 nan 8.310 nan 0.000 0.541 496 T N -0.490 114.000 114.554 -0.106 0.000 14.066 496 T HA -0.314 4.034 4.350 -0.004 0.000 0.419 496 T C 0.956 175.583 174.700 -0.122 0.000 1.442 496 T CA 0.750 62.795 62.100 -0.091 0.000 2.337 496 T CB -2.239 66.588 68.868 -0.069 0.000 2.762 496 T HN 0.603 nan 8.240 nan 0.000 0.310 497 E N 2.184 122.295 120.200 -0.149 0.000 2.047 497 E HA 0.064 4.412 4.350 -0.004 0.000 0.191 497 E C 0.773 177.236 176.600 -0.230 0.000 0.987 497 E CA 0.953 57.265 56.400 -0.146 0.000 0.799 497 E CB -0.237 29.392 29.700 -0.118 0.000 0.752 497 E HN 0.823 nan 8.360 nan 0.000 0.449 498 Q N 0.577 120.085 119.800 -0.488 0.000 2.460 498 Q HA -0.190 4.147 4.340 -0.004 0.000 0.311 498 Q C -0.987 174.835 176.000 -0.297 0.000 1.396 498 Q CA 0.383 55.664 55.803 -0.871 0.000 0.838 498 Q CB -1.420 27.009 28.738 -0.514 0.000 1.140 498 Q HN 0.199 nan 8.270 nan 0.000 0.415 499 K N 1.127 121.438 120.400 -0.147 0.000 2.350 499 K HA 0.331 4.648 4.320 -0.004 0.000 0.279 499 K C -0.181 176.690 176.600 0.452 0.000 1.027 499 K CA 0.053 56.410 56.287 0.116 0.000 0.969 499 K CB 0.383 32.943 32.500 0.099 0.000 0.954 499 K HN 0.239 nan 8.250 nan 0.000 0.474 500 Y N -0.296 120.205 120.300 0.335 0.000 2.605 500 Y HA 0.614 5.161 4.550 -0.005 0.000 0.343 500 Y C -1.314 174.748 175.900 0.270 0.000 1.036 500 Y CA -1.773 56.622 58.100 0.491 0.000 1.065 500 Y CB 0.715 39.509 38.460 0.558 0.000 1.288 500 Y HN 0.288 nan 8.280 nan 0.000 0.481 501 L N 2.766 124.125 121.223 0.227 0.000 2.309 501 L HA 0.642 4.980 4.340 -0.004 0.000 0.282 501 L C -0.022 176.901 176.870 0.089 0.000 1.036 501 L CA -0.221 54.524 54.840 -0.159 0.000 0.806 501 L CB 1.564 43.070 42.059 -0.923 0.000 1.220 501 L HN 0.974 nan 8.230 nan 0.000 0.429 502 T N 3.226 117.818 114.554 0.064 0.000 2.882 502 T HA 0.620 4.968 4.350 -0.004 0.000 0.287 502 T C -0.242 174.472 174.700 0.024 0.000 0.992 502 T CA -0.656 61.552 62.100 0.180 0.000 1.076 502 T CB 0.670 69.669 68.868 0.219 0.000 0.961 502 T HN 0.499 nan 8.240 nan 0.000 0.490 503 L N 4.000 125.233 121.223 0.016 0.000 2.319 503 L HA 0.600 4.937 4.340 -0.004 0.000 0.281 503 L C -0.293 176.409 176.870 -0.280 0.000 1.005 503 L CA -0.756 54.019 54.840 -0.110 0.000 0.828 503 L CB 0.872 42.920 42.059 -0.017 0.000 1.227 503 L HN 1.001 nan 8.230 nan 0.000 0.415 504 N N -0.952 117.607 118.700 -0.234 0.000 3.046 504 N HA 0.239 4.977 4.740 -0.004 0.000 0.243 504 N C 0.291 175.671 175.510 -0.216 0.000 1.452 504 N CA -0.352 52.550 53.050 -0.246 0.000 0.882 504 N CB 0.955 39.358 38.487 -0.140 0.000 1.425 504 N HN 0.274 nan 8.380 nan 0.000 0.517 505 T N -3.102 111.322 114.554 -0.217 0.000 3.023 505 T HA 0.029 4.377 4.350 -0.004 0.000 0.266 505 T C 0.595 175.237 174.700 -0.095 0.000 1.093 505 T CA 1.243 63.226 62.100 -0.195 0.000 1.129 505 T CB -0.430 68.306 68.868 -0.220 0.000 0.899 505 T HN 0.648 nan 8.240 nan 0.000 0.491 506 E N 2.448 122.611 120.200 -0.062 0.000 2.041 506 E HA 0.195 4.542 4.350 -0.004 0.000 0.202 506 E C 0.815 177.395 176.600 -0.033 0.000 0.945 506 E CA 0.336 56.715 56.400 -0.034 0.000 0.878 506 E CB -0.048 29.643 29.700 -0.015 0.000 0.886 506 E HN 0.450 nan 8.360 nan 0.000 0.487 507 S N 1.173 116.858 115.700 -0.025 0.000 2.552 507 S HA 0.311 4.778 4.470 -0.004 0.000 0.314 507 S C -0.215 174.370 174.600 -0.025 0.000 1.099 507 S CA -0.820 57.367 58.200 -0.021 0.000 1.070 507 S CB 1.238 64.432 63.200 -0.010 0.000 0.998 507 S HN 0.304 nan 8.310 nan 0.000 0.474 508 T N 1.990 116.525 114.554 -0.033 0.000 2.869 508 T HA 0.609 4.956 4.350 -0.004 0.000 0.295 508 T C -0.147 174.532 174.700 -0.035 0.000 0.987 508 T CA -0.677 61.399 62.100 -0.040 0.000 1.109 508 T CB 0.332 69.166 68.868 -0.057 0.000 0.932 508 T HN 0.788 nan 8.240 nan 0.000 0.518 509 R N 1.994 122.469 120.500 -0.042 0.000 2.807 509 R HA 0.562 4.900 4.340 -0.004 0.000 0.276 509 R C -0.614 175.625 176.300 -0.101 0.000 0.979 509 R CA -1.088 54.980 56.100 -0.054 0.000 0.928 509 R CB 1.485 31.760 30.300 -0.041 0.000 1.191 509 R HN 0.538 nan 8.270 nan 0.000 0.471 510 I N 3.506 124.020 120.570 -0.093 0.000 2.325 510 I HA 0.323 4.490 4.170 -0.004 0.000 0.291 510 I C 0.067 176.060 176.117 -0.207 0.000 1.019 510 I CA -0.023 61.200 61.300 -0.128 0.000 1.302 510 I CB 0.719 38.698 38.000 -0.036 0.000 1.401 510 I HN 0.494 nan 8.210 nan 0.000 0.485 511 M N 5.079 124.415 119.600 -0.439 0.000 2.727 511 M HA 0.532 5.009 4.480 -0.004 0.000 0.300 511 M C -0.062 175.952 176.300 -0.477 0.000 1.246 511 M CA -0.570 54.410 55.300 -0.533 0.000 0.835 511 M CB 2.484 34.535 32.600 -0.915 0.000 1.755 511 M HN 0.619 nan 8.290 nan 0.000 0.473 512 T N -2.107 112.369 114.554 -0.129 0.000 2.900 512 T HA 0.571 4.918 4.350 -0.004 0.000 0.295 512 T C -0.515 174.337 174.700 0.254 0.000 1.044 512 T CA -0.889 61.264 62.100 0.089 0.000 0.995 512 T CB 1.790 70.666 68.868 0.012 0.000 1.072 512 T HN 0.668 nan 8.240 nan 0.000 0.473 513 K N 0.732 121.265 120.400 0.221 0.000 3.419 513 K HA -0.157 4.160 4.320 -0.004 0.000 0.272 513 K C -0.064 176.597 176.600 0.103 0.000 0.973 513 K CA -0.162 56.194 56.287 0.116 0.000 0.749 513 K CB -1.580 30.954 32.500 0.058 0.000 1.403 513 K HN 0.637 nan 8.250 nan 0.000 0.456 514 L N 1.536 122.758 121.223 -0.001 0.000 2.593 514 L HA -0.097 4.240 4.340 -0.004 0.000 0.287 514 L C 0.778 177.575 176.870 -0.122 0.000 1.243 514 L CA 0.913 55.586 54.840 -0.279 0.000 0.890 514 L CB 0.136 41.700 42.059 -0.825 0.000 1.134 514 L HN 0.439 nan 8.230 nan 0.000 0.502 515 R N 2.581 123.046 120.500 -0.058 0.000 3.502 515 R HA -0.296 4.042 4.340 -0.004 0.000 0.266 515 R C 1.262 177.611 176.300 0.081 0.000 1.077 515 R CA 0.816 56.944 56.100 0.046 0.000 0.718 515 R CB -2.550 27.813 30.300 0.104 0.000 1.120 515 R HN 0.888 nan 8.270 nan 0.000 0.457 516 A N 0.724 123.579 122.820 0.059 0.000 1.884 516 A HA -0.273 4.044 4.320 -0.004 0.000 0.219 516 A C 2.108 179.751 177.584 0.097 0.000 1.197 516 A CA 1.817 53.896 52.037 0.070 0.000 0.637 516 A CB -0.321 18.710 19.000 0.053 0.000 0.827 516 A HN 0.529 nan 8.150 nan 0.000 0.450 517 Q N -1.377 118.480 119.800 0.095 0.000 2.119 517 Q HA -0.230 4.107 4.340 -0.004 0.000 0.201 517 Q C 2.339 178.472 176.000 0.221 0.000 0.972 517 Q CA 1.808 57.687 55.803 0.126 0.000 0.847 517 Q CB -0.075 28.702 28.738 0.064 0.000 0.903 517 Q HN 0.797 nan 8.270 nan 0.000 0.433 518 Q N -0.660 119.269 119.800 0.216 0.000 2.050 518 Q HA -0.142 4.196 4.340 -0.004 0.000 0.202 518 Q C 2.210 178.431 176.000 0.369 0.000 0.980 518 Q CA 1.782 57.754 55.803 0.282 0.000 0.840 518 Q CB -0.343 28.614 28.738 0.364 0.000 0.898 518 Q HN 0.378 nan 8.270 nan 0.000 0.424 519 c N 0.123 118.922 118.600 0.331 0.000 2.440 519 c HA -0.031 4.537 4.570 -0.004 0.000 0.278 519 c C 2.427 176.655 174.090 0.229 0.000 1.295 519 c CA 0.232 56.762 56.329 0.334 0.000 1.738 519 c CB -0.782 41.866 42.510 0.229 0.000 1.987 519 c HN 0.469 nan 8.230 nan 0.000 0.492 520 R N 0.145 120.737 120.500 0.154 0.000 2.113 520 R HA -0.231 4.107 4.340 -0.004 0.000 0.244 520 R C 2.045 178.397 176.300 0.087 0.000 1.142 520 R CA 2.200 58.366 56.100 0.110 0.000 0.953 520 R CB -0.709 29.647 30.300 0.093 0.000 0.860 520 R HN 0.603 nan 8.270 nan 0.000 0.438 521 F N -0.168 119.677 119.950 -0.175 0.000 2.069 521 F HA -0.248 4.276 4.527 -0.005 0.000 0.298 521 F C 1.741 177.419 175.800 -0.204 0.000 1.113 521 F CA 1.613 59.396 58.000 -0.362 0.000 1.214 521 F CB -0.428 37.918 39.000 -1.090 0.000 0.978 521 F HN 0.050 nan 8.300 nan 0.000 0.474 522 W N -0.089 121.215 121.300 0.007 0.000 2.418 522 W HA -0.098 4.559 4.660 -0.005 0.000 0.292 522 W C 2.504 179.033 176.519 0.016 0.000 1.213 522 W CA 1.518 58.842 57.345 -0.035 0.000 1.283 522 W CB -0.667 28.897 29.460 0.174 0.000 1.119 522 W HN -0.139 nan 8.180 nan 0.000 0.542 523 T N -1.586 113.112 114.554 0.240 0.000 3.031 523 T HA -0.030 4.317 4.350 -0.004 0.000 0.254 523 T C 1.677 176.439 174.700 0.104 0.000 1.060 523 T CA 1.444 63.650 62.100 0.175 0.000 1.135 523 T CB -0.055 68.909 68.868 0.160 0.000 0.896 523 T HN -0.056 nan 8.240 nan 0.000 0.472 524 S N 0.353 116.101 115.700 0.080 0.000 2.545 524 S HA 0.259 4.727 4.470 -0.004 0.000 0.232 524 S C 1.341 175.995 174.600 0.089 0.000 1.070 524 S CA -0.268 57.980 58.200 0.080 0.000 0.923 524 S CB -0.084 63.172 63.200 0.092 0.000 0.806 524 S HN 0.422 nan 8.310 nan 0.000 0.506 525 F N 1.466 121.332 119.950 -0.141 0.000 2.274 525 F HA 0.350 4.874 4.527 -0.005 0.000 0.288 525 F C 1.642 177.299 175.800 -0.239 0.000 1.069 525 F CA -0.095 57.794 58.000 -0.184 0.000 1.343 525 F CB -0.546 38.332 39.000 -0.203 0.000 1.089 525 F HN 0.159 nan 8.300 nan 0.000 0.517 526 F N 2.301 121.732 119.950 -0.865 0.000 2.126 526 F HA -0.028 4.497 4.527 -0.005 0.000 0.299 526 F C -0.846 174.690 175.800 -0.439 0.000 1.096 526 F CA 1.354 58.833 58.000 -0.868 0.000 1.255 526 F CB -1.747 36.836 39.000 -0.694 0.000 0.997 526 F HN -0.042 nan 8.300 nan 0.000 0.479 527 P HA -0.167 nan 4.420 nan 0.000 0.221 527 P C 1.093 178.246 177.300 -0.244 0.000 1.145 527 P CA 1.658 64.674 63.100 -0.140 0.000 0.795 527 P CB -0.102 31.597 31.700 -0.002 0.000 0.775 528 K N -0.291 119.913 120.400 -0.328 0.000 2.057 528 K HA -0.044 4.273 4.320 -0.004 0.000 0.206 528 K C 1.281 177.701 176.600 -0.299 0.000 1.050 528 K CA 0.799 56.926 56.287 -0.265 0.000 0.935 528 K CB -0.805 31.571 32.500 -0.207 0.000 0.715 528 K HN 0.133 nan 8.250 nan 0.000 0.439 529 V N 0.000 119.611 119.914 -0.505 0.000 2.409 529 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 529 V CA 0.000 62.085 62.300 -0.358 0.000 1.235 529 V CB 0.000 31.533 31.823 -0.483 0.000 1.184 529 V HN 0.000 nan 8.190 nan 0.000 0.556