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 3e6i_1_B DATA FIRST_RESID 31 DATA SEQUENCE KLPPGPFPLP IIGNLFQLEL KNIPKSFTRL AQRFGPVFTL YVGSQRMVVM DATA SEQUENCE HGYKAVKEAL LDYKDEFSGR GDLPAFHAHR DRGIIFNNGP TWKDIRRFSL DATA SEQUENCE TTLRNYGXXK QGNESRIQRE AHFLLEALRK TQGQPFDPTF LIGCAPCNVI DATA SEQUENCE ADILFRKHFD YNDEKFLRLM YLFNENFHLL STPWLQLYNN FPSFLHYLPG DATA SEQUENCE SHRKVIKNVA EVKEYVSERV KEHHQSLDPN CPRDLTDCLL VEMEKEKHSA DATA SEQUENCE ERLYTMDGIT VTVADLFFAG TETTSTTLRY GLLILMKYPE IEEKLHEEID DATA SEQUENCE RVIGPSRIPA IKDRQEMPYM DAVVHEIQRF ITLVPSNLPH EATRDTIFRG DATA SEQUENCE YLIPKGTVVV PTLDSVLYDN QEFPDPEKFK PEHFLNENGK FKYSDYFKPF DATA SEQUENCE STGKRVCAGE GLARMELFLL LCAILQHFNL KPLVDPKDID LSPIHIGFGC DATA SEQUENCE IPPRYKLCVI PRS 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 31 K HA 0.000 nan 4.320 nan 0.000 0.191 31 K C 0.000 176.734 176.600 0.223 0.000 0.988 31 K CA 0.000 56.391 56.287 0.173 0.000 0.838 31 K CB 0.000 32.569 32.500 0.115 0.000 1.064 32 L N 3.891 125.188 121.223 0.122 0.000 2.426 32 L HA 0.284 4.624 4.340 0.001 0.000 0.271 32 L C -1.973 174.830 176.870 -0.111 0.000 1.169 32 L CA -1.292 53.563 54.840 0.025 0.000 0.836 32 L CB -0.268 41.783 42.059 -0.012 0.000 1.112 32 L HN -0.128 nan 8.230 nan 0.000 0.465 33 P HA 0.065 nan 4.420 nan 0.000 0.267 33 P C -2.393 174.654 177.300 -0.422 0.000 1.201 33 P CA -0.692 61.868 63.100 -0.900 0.000 0.775 33 P CB -0.257 31.015 31.700 -0.712 0.000 0.854 34 P HA 0.264 nan 4.420 nan 0.000 0.270 34 P C -0.107 177.001 177.300 -0.319 0.000 1.223 34 P CA 0.355 63.382 63.100 -0.120 0.000 0.785 34 P CB 0.612 32.377 31.700 0.108 0.000 0.923 35 G N 0.384 108.834 108.800 -0.583 0.000 2.489 35 G HA2 0.441 4.401 3.960 0.001 0.000 0.291 35 G HA3 0.441 4.401 3.960 0.001 0.000 0.291 35 G C -3.313 171.077 174.900 -0.850 0.000 1.487 35 G CA -0.919 43.552 45.100 -1.048 0.000 0.795 35 G HN 0.357 nan 8.290 nan 0.000 0.513 36 P HA 0.260 nan 4.420 nan 0.000 0.271 36 P C -0.624 176.723 177.300 0.078 0.000 1.218 36 P CA -0.242 62.850 63.100 -0.014 0.000 0.780 36 P CB 0.827 32.589 31.700 0.104 0.000 0.901 37 F N 5.242 125.218 119.950 0.044 0.000 2.533 37 F HA 0.157 4.685 4.527 0.001 0.000 0.378 37 F C -1.496 174.321 175.800 0.030 0.000 1.070 37 F CA -1.561 56.455 58.000 0.026 0.000 1.172 37 F CB 0.095 39.112 39.000 0.029 0.000 1.085 37 F HN 0.234 nan 8.300 nan 0.000 0.552 38 P HA 0.143 nan 4.420 nan 0.000 0.274 38 P C -0.749 176.498 177.300 -0.088 0.000 1.231 38 P CA -0.181 62.820 63.100 -0.165 0.000 0.790 38 P CB 1.197 32.675 31.700 -0.371 0.000 0.951 39 L N 2.422 123.670 121.223 0.042 0.000 2.387 39 L HA 0.436 4.777 4.340 0.001 0.000 0.266 39 L C -2.072 174.814 176.870 0.027 0.000 1.059 39 L CA -2.437 52.457 54.840 0.090 0.000 0.801 39 L CB 0.819 42.980 42.059 0.169 0.000 1.223 39 L HN 0.173 nan 8.230 nan 0.000 0.456 40 P HA 0.139 nan 4.420 nan 0.000 0.268 40 P C 0.705 178.032 177.300 0.045 0.000 1.205 40 P CA -0.034 63.080 63.100 0.023 0.000 0.771 40 P CB 0.556 32.277 31.700 0.035 0.000 0.858 41 I N 0.547 121.148 120.570 0.053 0.000 4.270 41 I HA -0.343 3.827 4.170 0.001 0.000 0.084 41 I C 1.478 177.698 176.117 0.172 0.000 0.554 41 I CA 2.160 63.518 61.300 0.096 0.000 1.128 41 I CB -1.730 36.293 38.000 0.038 0.000 1.004 41 I HN 0.468 nan 8.210 nan 0.000 0.177 42 I N -0.781 119.873 120.570 0.141 0.000 3.860 42 I HA 0.505 4.676 4.170 0.001 0.000 0.319 42 I C 1.669 177.902 176.117 0.193 0.000 1.279 42 I CA 0.755 62.187 61.300 0.220 0.000 1.220 42 I CB 0.203 38.234 38.000 0.052 0.000 1.027 42 I HN 0.514 nan 8.210 nan 0.000 0.428 43 G N 3.170 112.037 108.800 0.112 0.000 2.660 43 G HA2 -0.422 3.538 3.960 0.001 0.000 0.321 43 G HA3 -0.422 3.538 3.960 0.001 0.000 0.321 43 G C 0.245 175.218 174.900 0.122 0.000 1.246 43 G CA 0.998 46.150 45.100 0.087 0.000 1.000 43 G HN 0.595 nan 8.290 nan 0.000 0.550 44 N N 0.768 119.557 118.700 0.150 0.000 2.327 44 N HA 0.387 5.128 4.740 0.001 0.000 0.231 44 N C 1.574 177.171 175.510 0.146 0.000 1.130 44 N CA -0.172 52.973 53.050 0.158 0.000 0.845 44 N CB 0.423 39.002 38.487 0.153 0.000 1.073 44 N HN 0.368 nan 8.380 nan 0.000 0.496 45 L N -0.242 121.045 121.223 0.106 0.000 2.187 45 L HA -0.031 4.309 4.340 0.001 0.000 0.213 45 L C 0.999 177.833 176.870 -0.061 0.000 1.100 45 L CA 1.624 56.469 54.840 0.008 0.000 0.765 45 L CB -0.397 41.625 42.059 -0.062 0.000 0.904 45 L HN 0.230 nan 8.230 nan 0.000 0.437 46 F N -1.047 118.938 119.950 0.058 0.000 2.502 46 F HA -0.108 4.420 4.527 0.001 0.000 0.298 46 F C 2.177 178.005 175.800 0.046 0.000 1.111 46 F CA 0.649 58.674 58.000 0.043 0.000 1.445 46 F CB -0.297 38.728 39.000 0.042 0.000 1.081 46 F HN 0.187 nan 8.300 nan 0.000 0.558 47 Q N -0.248 119.683 119.800 0.219 0.000 2.360 47 Q HA 0.215 4.555 4.340 0.001 0.000 0.202 47 Q C -0.265 175.798 176.000 0.105 0.000 0.915 47 Q CA 0.365 56.262 55.803 0.157 0.000 0.943 47 Q CB 0.233 29.065 28.738 0.157 0.000 1.064 47 Q HN 0.275 nan 8.270 nan 0.000 0.511 48 L N 0.852 122.122 121.223 0.077 0.000 2.322 48 L HA 0.403 4.743 4.340 0.001 0.000 0.281 48 L C -0.226 176.641 176.870 -0.006 0.000 1.014 48 L CA -0.577 54.272 54.840 0.014 0.000 0.815 48 L CB 1.834 43.892 42.059 -0.000 0.000 1.247 48 L HN -0.023 nan 8.230 nan 0.000 0.421 49 E N 3.489 123.670 120.200 -0.030 0.000 2.089 49 E HA 0.160 4.510 4.350 0.001 0.000 0.284 49 E C 0.705 177.272 176.600 -0.053 0.000 1.023 49 E CA -0.254 56.129 56.400 -0.028 0.000 0.819 49 E CB 1.351 31.038 29.700 -0.022 0.000 1.076 49 E HN 0.597 nan 8.360 nan 0.000 0.396 50 L N 3.646 124.847 121.223 -0.037 0.000 2.191 50 L HA -0.215 4.125 4.340 0.001 0.000 0.212 50 L C 2.347 179.203 176.870 -0.024 0.000 1.103 50 L CA 1.372 56.190 54.840 -0.036 0.000 0.769 50 L CB -0.441 41.607 42.059 -0.019 0.000 0.908 50 L HN 0.481 nan 8.230 nan 0.000 0.438 51 K N -0.947 119.449 120.400 -0.007 0.000 2.418 51 K HA -0.068 4.253 4.320 0.001 0.000 0.195 51 K C 0.578 177.167 176.600 -0.018 0.000 1.035 51 K CA 0.697 56.990 56.287 0.011 0.000 1.003 51 K CB 0.090 32.612 32.500 0.037 0.000 0.793 51 K HN 0.075 nan 8.250 nan 0.000 0.494 52 N N 1.098 119.767 118.700 -0.052 0.000 2.716 52 N HA 0.128 4.869 4.740 0.001 0.000 0.245 52 N C 0.236 175.659 175.510 -0.144 0.000 1.495 52 N CA -0.295 52.707 53.050 -0.081 0.000 0.759 52 N CB 0.670 39.123 38.487 -0.056 0.000 1.261 52 N HN -0.036 nan 8.380 nan 0.000 0.515 53 I N 1.309 121.749 120.570 -0.217 0.000 2.179 53 I HA -0.052 4.118 4.170 0.001 0.000 0.242 53 I C -0.702 175.100 176.117 -0.525 0.000 1.088 53 I CA 0.797 61.836 61.300 -0.435 0.000 1.357 53 I CB -1.909 35.780 38.000 -0.519 0.000 1.051 53 I HN 0.286 nan 8.210 nan 0.000 0.409 54 P HA -0.224 nan 4.420 nan 0.000 0.216 54 P C 1.815 179.108 177.300 -0.013 0.000 1.154 54 P CA 1.777 64.815 63.100 -0.104 0.000 0.865 54 P CB -0.102 31.550 31.700 -0.080 0.000 0.789 55 K N -0.583 119.784 120.400 -0.056 0.000 2.057 55 K HA -0.091 4.230 4.320 0.001 0.000 0.207 55 K C 2.120 178.722 176.600 0.003 0.000 1.049 55 K CA 1.637 57.917 56.287 -0.012 0.000 0.931 55 K CB -0.357 32.127 32.500 -0.028 0.000 0.714 55 K HN -0.022 nan 8.250 nan 0.000 0.440 56 S N 0.574 116.243 115.700 -0.051 0.000 2.356 56 S HA -0.112 4.359 4.470 0.001 0.000 0.223 56 S C 1.639 176.316 174.600 0.130 0.000 1.032 56 S CA 1.203 59.395 58.200 -0.014 0.000 1.005 56 S CB -0.368 62.782 63.200 -0.083 0.000 0.867 56 S HN 0.231 nan 8.310 nan 0.000 0.449 57 F N 2.258 122.269 119.950 0.101 0.000 2.095 57 F HA -0.124 4.404 4.527 0.001 0.000 0.298 57 F C 2.831 178.666 175.800 0.059 0.000 1.104 57 F CA 0.941 59.075 58.000 0.223 0.000 1.232 57 F CB -1.832 37.324 39.000 0.260 0.000 0.987 57 F HN 0.162 nan 8.300 nan 0.000 0.475 58 T N -0.239 114.428 114.554 0.188 0.000 2.746 58 T HA -0.198 4.152 4.350 0.001 0.000 0.267 58 T C 2.136 176.757 174.700 -0.131 0.000 1.039 58 T CA 1.535 63.579 62.100 -0.093 0.000 1.142 58 T CB -0.234 68.738 68.868 0.172 0.000 0.866 58 T HN 0.113 nan 8.240 nan 0.000 0.444 59 R N 0.433 120.910 120.500 -0.039 0.000 2.091 59 R HA 0.035 4.376 4.340 0.001 0.000 0.238 59 R C 2.428 178.653 176.300 -0.125 0.000 1.136 59 R CA 1.138 57.204 56.100 -0.058 0.000 0.959 59 R CB -0.500 29.789 30.300 -0.019 0.000 0.856 59 R HN 0.345 nan 8.270 nan 0.000 0.437 60 L N -0.403 120.717 121.223 -0.171 0.000 2.093 60 L HA -0.097 4.243 4.340 0.001 0.000 0.208 60 L C 2.529 179.049 176.870 -0.583 0.000 1.085 60 L CA 1.020 55.619 54.840 -0.401 0.000 0.755 60 L CB -0.462 41.197 42.059 -0.667 0.000 0.904 60 L HN 0.284 nan 8.230 nan 0.000 0.435 61 A N -0.626 121.924 122.820 -0.449 0.000 1.898 61 A HA -0.262 4.058 4.320 0.001 0.000 0.216 61 A C 2.139 179.646 177.584 -0.130 0.000 1.181 61 A CA 1.431 53.351 52.037 -0.195 0.000 0.620 61 A CB -0.433 18.393 19.000 -0.290 0.000 0.819 61 A HN 0.327 nan 8.150 nan 0.000 0.442 62 Q N -0.629 119.078 119.800 -0.155 0.000 2.082 62 Q HA -0.233 4.108 4.340 0.001 0.000 0.211 62 Q C 2.302 178.208 176.000 -0.157 0.000 1.002 62 Q CA 2.490 58.226 55.803 -0.111 0.000 0.868 62 Q CB -0.244 28.432 28.738 -0.102 0.000 0.931 62 Q HN 0.654 nan 8.270 nan 0.000 0.414 63 R N -1.773 118.572 120.500 -0.259 0.000 2.127 63 R HA -0.011 4.329 4.340 0.001 0.000 0.217 63 R C 0.623 176.554 176.300 -0.616 0.000 1.074 63 R CA 0.951 56.762 56.100 -0.482 0.000 0.991 63 R CB 0.235 30.130 30.300 -0.675 0.000 0.895 63 R HN 0.272 nan 8.270 nan 0.000 0.450 64 F N -0.969 118.893 119.950 -0.147 0.000 2.798 64 F HA 0.357 4.885 4.527 0.001 0.000 0.328 64 F C 0.765 176.574 175.800 0.015 0.000 1.098 64 F CA 0.462 58.411 58.000 -0.085 0.000 1.172 64 F CB 1.318 40.222 39.000 -0.161 0.000 1.072 64 F HN 0.182 nan 8.300 nan 0.000 0.555 65 G N 1.567 110.459 108.800 0.154 0.000 2.685 65 G HA2 -0.174 3.787 3.960 0.001 0.000 0.387 65 G HA3 -0.174 3.787 3.960 0.001 0.000 0.387 65 G C -2.149 172.913 174.900 0.269 0.000 1.324 65 G CA -0.422 44.788 45.100 0.184 0.000 0.878 65 G HN -0.057 nan 8.290 nan 0.000 0.527 66 P HA 0.216 nan 4.420 nan 0.000 0.237 66 P C 0.252 177.668 177.300 0.193 0.000 1.178 66 P CA 1.089 64.341 63.100 0.252 0.000 0.766 66 P CB 0.204 32.028 31.700 0.207 0.000 0.876 67 V N 1.179 121.206 119.914 0.187 0.000 2.577 67 V HA 0.421 4.541 4.120 0.001 0.000 0.294 67 V C -0.553 175.519 176.094 -0.037 0.000 1.052 67 V CA -0.727 61.567 62.300 -0.011 0.000 0.891 67 V CB 1.176 33.077 31.823 0.131 0.000 1.017 67 V HN 0.032 nan 8.190 nan 0.000 0.436 68 F N 0.960 120.775 119.950 -0.224 0.000 2.629 68 F HA 0.923 5.451 4.527 0.001 0.000 0.316 68 F C -0.277 175.313 175.800 -0.349 0.000 1.081 68 F CA -0.887 56.942 58.000 -0.285 0.000 0.954 68 F CB 1.790 40.661 39.000 -0.215 0.000 1.337 68 F HN 0.200 nan 8.300 nan 0.000 0.474 69 T N 3.138 117.599 114.554 -0.154 0.000 2.824 69 T HA 0.670 5.021 4.350 0.001 0.000 0.280 69 T C -1.179 173.431 174.700 -0.150 0.000 0.995 69 T CA -0.374 61.566 62.100 -0.265 0.000 1.009 69 T CB 1.419 70.122 68.868 -0.275 0.000 0.955 69 T HN 0.466 nan 8.240 nan 0.000 0.452 70 L N 2.760 123.845 121.223 -0.229 0.000 2.354 70 L HA 0.535 4.876 4.340 0.001 0.000 0.269 70 L C -1.293 175.386 176.870 -0.318 0.000 1.005 70 L CA -0.912 53.859 54.840 -0.116 0.000 0.819 70 L CB 1.502 43.580 42.059 0.032 0.000 1.311 70 L HN 0.648 nan 8.230 nan 0.000 0.423 71 Y N 2.333 122.593 120.300 -0.067 0.000 2.369 71 Y HA 0.529 5.079 4.550 0.001 0.000 0.337 71 Y C -0.019 175.847 175.900 -0.057 0.000 0.961 71 Y CA -0.680 57.370 58.100 -0.083 0.000 1.186 71 Y CB 1.844 40.245 38.460 -0.098 0.000 1.139 71 Y HN 0.238 nan 8.280 nan 0.000 0.494 72 V N 5.314 125.221 119.914 -0.012 0.000 2.293 72 V HA 0.783 4.904 4.120 0.001 0.000 0.275 72 V C 0.407 176.326 176.094 -0.290 0.000 1.021 72 V CA 0.597 62.863 62.300 -0.057 0.000 0.815 72 V CB 0.038 31.853 31.823 -0.014 0.000 1.025 72 V HN 1.038 nan 8.190 nan 0.000 0.448 73 G N 5.748 114.364 108.800 -0.306 0.000 2.536 73 G HA2 -0.305 3.656 3.960 0.001 0.000 0.280 73 G HA3 -0.305 3.656 3.960 0.001 0.000 0.280 73 G C 0.866 175.680 174.900 -0.144 0.000 1.152 73 G CA 0.710 45.494 45.100 -0.526 0.000 0.970 73 G HN 1.889 nan 8.290 nan 0.000 0.549 74 S N -0.236 115.377 115.700 -0.146 0.000 2.540 74 S HA 0.456 4.927 4.470 0.001 0.000 0.218 74 S C 0.697 175.289 174.600 -0.013 0.000 0.977 74 S CA 1.228 59.416 58.200 -0.020 0.000 0.918 74 S CB 0.822 64.019 63.200 -0.004 0.000 0.806 74 S HN 0.832 nan 8.310 nan 0.000 0.496 75 Q N 3.025 122.765 119.800 -0.100 0.000 2.296 75 Q HA 0.371 4.712 4.340 0.001 0.000 0.257 75 Q C -0.294 175.605 176.000 -0.169 0.000 0.942 75 Q CA -0.378 55.352 55.803 -0.121 0.000 0.939 75 Q CB 0.867 29.511 28.738 -0.156 0.000 1.198 75 Q HN 0.447 nan 8.270 nan 0.000 0.429 76 R N 4.391 124.749 120.500 -0.237 0.000 2.389 76 R HA 0.401 4.741 4.340 0.001 0.000 0.295 76 R C -0.497 175.566 176.300 -0.395 0.000 1.075 76 R CA -0.001 55.787 56.100 -0.519 0.000 1.005 76 R CB 0.307 30.299 30.300 -0.513 0.000 0.987 76 R HN 0.815 nan 8.270 nan 0.000 0.452 77 M N 2.093 121.433 119.600 -0.434 0.000 2.591 77 M HA 0.497 4.978 4.480 0.001 0.000 0.306 77 M C -1.381 174.641 176.300 -0.463 0.000 1.190 77 M CA -1.166 53.902 55.300 -0.386 0.000 0.889 77 M CB 2.323 34.740 32.600 -0.305 0.000 1.728 77 M HN 0.175 nan 8.290 nan 0.000 0.458 78 V N 2.692 122.300 119.914 -0.510 0.000 2.417 78 V HA 0.537 4.657 4.120 0.001 0.000 0.291 78 V C -0.398 175.243 176.094 -0.755 0.000 1.024 78 V CA -0.697 61.239 62.300 -0.607 0.000 0.861 78 V CB 1.815 33.299 31.823 -0.564 0.000 0.985 78 V HN 0.752 nan 8.190 nan 0.000 0.436 79 V N 6.212 125.527 119.914 -0.999 0.000 2.435 79 V HA 0.497 4.617 4.120 0.001 0.000 0.290 79 V C -0.068 175.487 176.094 -0.898 0.000 1.030 79 V CA -0.513 61.104 62.300 -1.138 0.000 0.881 79 V CB 1.636 32.409 31.823 -1.750 0.000 0.983 79 V HN 0.837 nan 8.190 nan 0.000 0.445 80 M N 4.958 124.185 119.600 -0.622 0.000 2.238 80 M HA 0.464 4.944 4.480 0.001 0.000 0.350 80 M C -0.465 175.726 176.300 -0.182 0.000 1.138 80 M CA 0.059 55.141 55.300 -0.364 0.000 1.040 80 M CB 0.893 33.283 32.600 -0.350 0.000 1.639 80 M HN 0.637 nan 8.290 nan 0.000 0.451 81 H N 1.925 120.928 119.070 -0.111 0.000 2.744 81 H HA 0.670 5.226 4.556 0.001 0.000 0.339 81 H C -0.480 174.888 175.328 0.066 0.000 1.004 81 H CA 0.229 56.284 56.048 0.011 0.000 1.257 81 H CB 1.304 31.146 29.762 0.134 0.000 1.552 81 H HN 0.840 nan 8.280 nan 0.000 0.522 82 G N 3.547 112.283 108.800 -0.107 0.000 2.617 82 G HA2 -0.269 3.692 3.960 0.001 0.000 0.686 82 G HA3 -0.269 3.692 3.960 0.001 0.000 0.686 82 G C -0.036 174.896 174.900 0.054 0.000 1.214 82 G CA -0.042 45.084 45.100 0.044 0.000 0.796 82 G HN 0.677 nan 8.290 nan 0.000 0.654 83 Y N 1.209 121.483 120.300 -0.043 0.000 2.114 83 Y HA -0.196 4.355 4.550 0.001 0.000 0.282 83 Y C 2.783 178.612 175.900 -0.119 0.000 1.165 83 Y CA 2.971 60.960 58.100 -0.184 0.000 1.148 83 Y CB -0.068 38.094 38.460 -0.496 0.000 0.972 83 Y HN 0.759 nan 8.280 nan 0.000 0.504 84 K N 0.181 120.520 120.400 -0.101 0.000 1.985 84 K HA -0.196 4.124 4.320 0.001 0.000 0.210 84 K C 2.313 178.868 176.600 -0.075 0.000 1.047 84 K CA 1.528 57.736 56.287 -0.132 0.000 0.932 84 K CB -0.587 31.939 32.500 0.043 0.000 0.716 84 K HN 0.382 nan 8.250 nan 0.000 0.439 85 A N 0.530 123.369 122.820 0.033 0.000 1.902 85 A HA -0.114 4.207 4.320 0.001 0.000 0.217 85 A C 2.277 179.891 177.584 0.051 0.000 1.181 85 A CA 1.779 53.897 52.037 0.134 0.000 0.623 85 A CB -0.686 18.408 19.000 0.156 0.000 0.818 85 A HN 0.213 nan 8.150 nan 0.000 0.443 86 V N 0.136 120.005 119.914 -0.075 0.000 2.358 86 V HA -0.236 3.885 4.120 0.001 0.000 0.246 86 V C 2.536 178.546 176.094 -0.140 0.000 1.047 86 V CA 2.303 64.519 62.300 -0.141 0.000 1.035 86 V CB -0.590 31.143 31.823 -0.150 0.000 0.658 86 V HN 0.672 nan 8.190 nan 0.000 0.452 87 K N -0.035 120.229 120.400 -0.226 0.000 2.026 87 K HA -0.210 4.110 4.320 0.001 0.000 0.208 87 K C 2.182 178.744 176.600 -0.063 0.000 1.048 87 K CA 1.691 57.832 56.287 -0.244 0.000 0.929 87 K CB -0.135 32.021 32.500 -0.572 0.000 0.713 87 K HN 0.505 nan 8.250 nan 0.000 0.439 88 E N -0.130 120.087 120.200 0.028 0.000 2.070 88 E HA -0.231 4.119 4.350 0.001 0.000 0.197 88 E C 1.911 178.775 176.600 0.440 0.000 1.004 88 E CA 1.383 57.930 56.400 0.244 0.000 0.805 88 E CB -0.120 29.789 29.700 0.348 0.000 0.744 88 E HN 0.447 nan 8.360 nan 0.000 0.451 89 A N 0.558 123.582 122.820 0.341 0.000 1.898 89 A HA -0.134 4.186 4.320 0.001 0.000 0.216 89 A C 2.016 179.749 177.584 0.248 0.000 1.181 89 A CA 0.939 53.164 52.037 0.313 0.000 0.620 89 A CB -0.234 18.683 19.000 -0.138 0.000 0.819 89 A HN 0.119 nan 8.150 nan 0.000 0.442 90 L N -1.480 119.781 121.223 0.063 0.000 2.179 90 L HA 0.081 4.421 4.340 0.001 0.000 0.208 90 L C 2.046 178.958 176.870 0.069 0.000 1.096 90 L CA 1.220 56.071 54.840 0.018 0.000 0.779 90 L CB -0.624 41.401 42.059 -0.056 0.000 0.922 90 L HN 0.265 nan 8.230 nan 0.000 0.443 91 L N -1.347 119.918 121.223 0.069 0.000 2.433 91 L HA 0.121 4.461 4.340 0.001 0.000 0.200 91 L C 1.514 178.404 176.870 0.034 0.000 1.059 91 L CA 1.119 55.988 54.840 0.047 0.000 0.835 91 L CB -0.446 41.625 42.059 0.019 0.000 1.076 91 L HN 0.159 nan 8.230 nan 0.000 0.481 92 D N -1.597 118.837 120.400 0.056 0.000 2.339 92 D HA 0.008 4.649 4.640 0.001 0.000 0.217 92 D C -0.103 176.038 176.300 -0.264 0.000 1.050 92 D CA 0.542 54.500 54.000 -0.071 0.000 0.856 92 D CB 0.443 41.206 40.800 -0.062 0.000 0.922 92 D HN 0.310 nan 8.370 nan 0.000 0.518 93 Y N 0.364 120.639 120.300 -0.042 0.000 2.685 93 Y HA 0.126 4.676 4.550 0.000 0.000 0.284 93 Y C 1.368 177.153 175.900 -0.191 0.000 0.944 93 Y CA -0.593 57.386 58.100 -0.201 0.000 1.107 93 Y CB 0.515 38.730 38.460 -0.409 0.000 1.188 93 Y HN -0.162 nan 8.280 nan 0.000 0.635 94 K N -1.445 118.968 120.400 0.022 0.000 2.365 94 K HA -0.038 4.283 4.320 0.001 0.000 0.199 94 K C 0.475 177.119 176.600 0.074 0.000 1.045 94 K CA 1.579 57.908 56.287 0.071 0.000 0.962 94 K CB 0.335 32.881 32.500 0.076 0.000 0.759 94 K HN 0.276 nan 8.250 nan 0.000 0.469 95 D N 1.598 122.010 120.400 0.021 0.000 2.323 95 D HA -0.081 4.559 4.640 0.001 0.000 0.218 95 D C 1.779 178.088 176.300 0.014 0.000 0.973 95 D CA 0.729 54.753 54.000 0.040 0.000 0.890 95 D CB 0.272 41.089 40.800 0.029 0.000 1.011 95 D HN 0.398 nan 8.370 nan 0.000 0.499 96 E N 0.537 120.692 120.200 -0.075 0.000 2.204 96 E HA -0.136 4.214 4.350 0.001 0.000 0.194 96 E C 0.941 177.556 176.600 0.026 0.000 0.989 96 E CA 0.768 57.100 56.400 -0.114 0.000 0.824 96 E CB -0.352 29.189 29.700 -0.265 0.000 0.756 96 E HN 0.268 nan 8.360 nan 0.000 0.477 97 F N 1.767 121.747 119.950 0.049 0.000 2.647 97 F HA 0.209 4.736 4.527 0.001 0.000 0.300 97 F C 1.666 177.510 175.800 0.073 0.000 1.106 97 F CA -0.604 57.403 58.000 0.012 0.000 1.313 97 F CB 0.007 38.970 39.000 -0.061 0.000 1.007 97 F HN -0.030 nan 8.300 nan 0.000 0.536 98 S N -1.237 114.557 115.700 0.157 0.000 2.631 98 S HA 0.237 4.707 4.470 0.001 0.000 0.217 98 S C 1.235 175.650 174.600 -0.309 0.000 0.958 98 S CA 0.019 58.211 58.200 -0.013 0.000 0.920 98 S CB -0.614 62.609 63.200 0.038 0.000 0.776 98 S HN 0.194 nan 8.310 nan 0.000 0.517 99 G N 1.192 109.885 108.800 -0.178 0.000 2.667 99 G HA2 0.457 4.418 3.960 0.001 0.000 0.250 99 G HA3 0.457 4.418 3.960 0.001 0.000 0.250 99 G C -0.476 174.199 174.900 -0.375 0.000 1.212 99 G CA -0.878 44.065 45.100 -0.261 0.000 0.874 99 G HN 0.510 nan 8.290 nan 0.000 0.561 100 R N -0.238 120.058 120.500 -0.341 0.000 2.476 100 R HA 0.543 4.883 4.340 0.001 0.000 0.305 100 R C 0.395 176.598 176.300 -0.162 0.000 0.965 100 R CA -0.088 55.819 56.100 -0.320 0.000 0.867 100 R CB 0.970 31.054 30.300 -0.359 0.000 1.176 100 R HN 0.747 nan 8.270 nan 0.000 0.447 101 G N 2.315 111.038 108.800 -0.129 0.000 2.491 101 G HA2 0.051 4.012 3.960 0.001 0.000 0.242 101 G HA3 0.051 4.012 3.960 0.001 0.000 0.242 101 G C -0.660 174.239 174.900 -0.002 0.000 1.266 101 G CA -0.330 44.729 45.100 -0.068 0.000 0.844 101 G HN 0.741 nan 8.290 nan 0.000 0.571 102 D N -0.258 120.146 120.400 0.007 0.000 2.414 102 D HA 0.205 4.846 4.640 0.001 0.000 0.242 102 D C -0.163 176.187 176.300 0.083 0.000 1.129 102 D CA 0.171 54.202 54.000 0.051 0.000 0.885 102 D CB 0.716 41.520 40.800 0.006 0.000 1.198 102 D HN 0.078 nan 8.370 nan 0.000 0.437 103 L N 5.706 127.017 121.223 0.147 0.000 2.462 103 L HA 0.285 4.625 4.340 0.001 0.000 0.255 103 L C -1.675 175.269 176.870 0.124 0.000 1.076 103 L CA -1.360 53.579 54.840 0.166 0.000 0.920 103 L CB 2.083 44.330 42.059 0.314 0.000 1.214 103 L HN 0.369 nan 8.230 nan 0.000 0.472 104 P HA -0.274 nan 4.420 nan 0.000 0.218 104 P C 1.416 178.872 177.300 0.260 0.000 1.150 104 P CA 1.522 64.664 63.100 0.070 0.000 0.841 104 P CB 0.315 31.850 31.700 -0.274 0.000 0.784 105 A N -2.272 120.704 122.820 0.259 0.000 2.067 105 A HA -0.069 4.251 4.320 0.001 0.000 0.219 105 A C 1.303 178.689 177.584 -0.329 0.000 1.158 105 A CA 0.943 53.040 52.037 0.101 0.000 0.661 105 A CB -1.267 17.769 19.000 0.061 0.000 0.801 105 A HN 0.153 nan 8.150 nan 0.000 0.452 106 F N 0.067 119.844 119.950 -0.288 0.000 2.983 106 F HA 0.196 4.723 4.527 0.001 0.000 0.307 106 F C 1.561 177.205 175.800 -0.260 0.000 1.218 106 F CA -0.129 57.553 58.000 -0.530 0.000 1.323 106 F CB -0.170 38.076 39.000 -1.256 0.000 0.989 106 F HN 0.526 nan 8.300 nan 0.000 0.509 107 H N -0.826 118.269 119.070 0.042 0.000 2.387 107 H HA -0.118 4.439 4.556 0.001 0.000 0.299 107 H C 2.117 177.520 175.328 0.124 0.000 1.090 107 H CA 1.394 57.493 56.048 0.085 0.000 1.332 107 H CB -0.651 29.156 29.762 0.075 0.000 1.386 107 H HN 0.188 nan 8.280 nan 0.000 0.516 108 A N 0.688 123.502 122.820 -0.009 0.000 2.194 108 A HA -0.220 4.100 4.320 0.001 0.000 0.220 108 A C 1.617 179.352 177.584 0.251 0.000 1.162 108 A CA 1.787 53.916 52.037 0.153 0.000 0.674 108 A CB -0.776 18.264 19.000 0.066 0.000 0.789 108 A HN 0.814 nan 8.150 nan 0.000 0.470 109 H N -1.181 117.954 119.070 0.108 0.000 3.058 109 H HA 0.068 4.625 4.556 0.001 0.000 0.258 109 H C 0.301 175.758 175.328 0.215 0.000 1.015 109 H CA -0.171 55.991 56.048 0.191 0.000 1.210 109 H CB 0.221 30.136 29.762 0.256 0.000 1.481 109 H HN 0.625 nan 8.280 nan 0.000 0.492 110 R N 2.295 122.974 120.500 0.299 0.000 2.486 110 R HA -0.125 4.215 4.340 0.001 0.000 0.304 110 R C -0.761 175.653 176.300 0.189 0.000 0.913 110 R CA 0.620 56.861 56.100 0.236 0.000 1.124 110 R CB -0.193 30.216 30.300 0.182 0.000 0.891 110 R HN 0.090 nan 8.270 nan 0.000 0.410 111 D N 0.321 120.828 120.400 0.178 0.000 3.077 111 D HA -0.174 4.466 4.640 0.001 0.000 0.217 111 D C -0.691 175.686 176.300 0.128 0.000 1.162 111 D CA 1.841 55.920 54.000 0.131 0.000 0.943 111 D CB -0.498 40.357 40.800 0.092 0.000 1.122 111 D HN 0.744 nan 8.370 nan 0.000 0.413 112 R N -0.804 119.789 120.500 0.154 0.000 2.930 112 R HA 0.825 5.166 4.340 0.001 0.000 0.257 112 R C 1.291 177.693 176.300 0.171 0.000 1.107 112 R CA -0.369 55.807 56.100 0.126 0.000 0.999 112 R CB 0.476 30.828 30.300 0.088 0.000 1.209 112 R HN 0.061 nan 8.270 nan 0.000 0.486 113 G N 0.393 109.279 108.800 0.144 0.000 2.547 113 G HA2 -0.336 3.625 3.960 0.001 0.000 0.271 113 G HA3 -0.336 3.625 3.960 0.001 0.000 0.271 113 G C 0.347 175.377 174.900 0.216 0.000 1.209 113 G CA 0.487 45.695 45.100 0.179 0.000 0.959 113 G HN 0.786 nan 8.290 nan 0.000 0.563 114 I N -1.067 119.645 120.570 0.236 0.000 3.739 114 I HA 0.337 4.508 4.170 0.001 0.000 0.272 114 I C 2.519 178.743 176.117 0.178 0.000 1.167 114 I CA 0.518 61.983 61.300 0.273 0.000 1.386 114 I CB -0.052 38.081 38.000 0.221 0.000 1.490 114 I HN 0.552 nan 8.210 nan 0.000 0.452 115 I N 1.177 121.762 120.570 0.025 0.000 2.127 115 I HA -0.263 3.907 4.170 0.001 0.000 0.241 115 I C 1.148 176.970 176.117 -0.491 0.000 1.075 115 I CA 1.974 63.071 61.300 -0.339 0.000 1.334 115 I CB -0.312 37.299 38.000 -0.648 0.000 1.040 115 I HN 0.186 nan 8.210 nan 0.000 0.405 116 F N 1.420 121.416 119.950 0.077 0.000 2.730 116 F HA 0.180 4.707 4.527 0.000 0.000 0.295 116 F C 0.491 176.331 175.800 0.066 0.000 1.143 116 F CA -0.700 57.334 58.000 0.057 0.000 1.367 116 F CB -0.335 38.733 39.000 0.112 0.000 0.970 116 F HN 0.162 nan 8.300 nan 0.000 0.514 117 N N -0.100 118.677 118.700 0.129 0.000 2.407 117 N HA 0.143 4.883 4.740 0.001 0.000 0.277 117 N C -0.530 174.964 175.510 -0.027 0.000 0.995 117 N CA -0.420 52.698 53.050 0.114 0.000 0.903 117 N CB 1.264 39.867 38.487 0.194 0.000 1.218 117 N HN -0.019 nan 8.380 nan 0.000 0.487 118 N N 1.109 119.801 118.700 -0.013 0.000 2.204 118 N HA 0.254 4.994 4.740 0.001 0.000 0.219 118 N C -0.022 175.489 175.510 0.001 0.000 1.151 118 N CA -0.337 52.668 53.050 -0.076 0.000 0.867 118 N CB 0.464 38.913 38.487 -0.063 0.000 1.043 118 N HN 0.729 nan 8.380 nan 0.000 0.516 119 G N -0.263 108.576 108.800 0.065 0.000 2.705 119 G HA2 0.354 4.314 3.960 0.001 0.000 0.299 119 G HA3 0.354 4.314 3.960 0.001 0.000 0.299 119 G C -1.624 173.349 174.900 0.121 0.000 1.315 119 G CA -1.111 44.036 45.100 0.079 0.000 1.045 119 G HN -0.026 nan 8.290 nan 0.000 0.517 120 P HA -0.059 nan 4.420 nan 0.000 0.219 120 P C 1.913 179.255 177.300 0.070 0.000 1.146 120 P CA 1.814 64.962 63.100 0.080 0.000 0.808 120 P CB 0.048 31.774 31.700 0.043 0.000 0.779 121 T N -5.541 109.050 114.554 0.061 0.000 3.113 121 T HA -0.129 4.221 4.350 0.001 0.000 0.263 121 T C 1.492 176.217 174.700 0.041 0.000 1.143 121 T CA -0.010 62.093 62.100 0.005 0.000 1.090 121 T CB -0.977 67.879 68.868 -0.019 0.000 0.922 121 T HN 0.167 nan 8.240 nan 0.000 0.521 122 W N 2.537 123.819 121.300 -0.029 0.000 2.380 122 W HA 0.036 4.696 4.660 -0.000 0.000 0.317 122 W C 2.232 178.746 176.519 -0.009 0.000 1.196 122 W CA 1.162 58.498 57.345 -0.015 0.000 1.307 122 W CB -0.277 29.178 29.460 -0.009 0.000 1.157 122 W HN 0.107 nan 8.180 nan 0.000 0.483 123 K N -0.011 120.146 120.400 -0.406 0.000 2.032 123 K HA -0.223 4.097 4.320 0.001 0.000 0.209 123 K C 1.579 177.884 176.600 -0.492 0.000 1.048 123 K CA 2.183 58.013 56.287 -0.761 0.000 0.927 123 K CB -0.519 31.798 32.500 -0.305 0.000 0.712 123 K HN 0.094 nan 8.250 nan 0.000 0.441 124 D N 0.430 120.672 120.400 -0.264 0.000 2.162 124 D HA -0.049 4.591 4.640 0.001 0.000 0.203 124 D C 2.010 178.247 176.300 -0.104 0.000 0.967 124 D CA 0.796 54.706 54.000 -0.151 0.000 0.840 124 D CB -0.066 40.664 40.800 -0.117 0.000 0.972 124 D HN 0.278 nan 8.370 nan 0.000 0.482 125 I N 0.766 121.236 120.570 -0.167 0.000 2.179 125 I HA -0.225 3.946 4.170 0.001 0.000 0.242 125 I C 2.637 178.758 176.117 0.007 0.000 1.088 125 I CA 0.826 62.090 61.300 -0.061 0.000 1.357 125 I CB -0.163 37.782 38.000 -0.091 0.000 1.051 125 I HN -0.081 nan 8.210 nan 0.000 0.409 126 R N 1.216 121.608 120.500 -0.181 0.000 2.080 126 R HA -0.225 4.116 4.340 0.001 0.000 0.236 126 R C 2.569 178.803 176.300 -0.109 0.000 1.137 126 R CA 1.778 57.763 56.100 -0.192 0.000 0.943 126 R CB -0.298 29.710 30.300 -0.488 0.000 0.846 126 R HN 0.213 nan 8.270 nan 0.000 0.431 127 R N -0.505 119.911 120.500 -0.141 0.000 2.091 127 R HA -0.188 4.152 4.340 0.001 0.000 0.238 127 R C 2.200 178.523 176.300 0.038 0.000 1.136 127 R CA 1.869 57.932 56.100 -0.060 0.000 0.959 127 R CB -0.431 29.829 30.300 -0.067 0.000 0.856 127 R HN 0.304 nan 8.270 nan 0.000 0.437 128 F N 1.002 120.943 119.950 -0.016 0.000 2.102 128 F HA -0.177 4.351 4.527 0.002 0.000 0.298 128 F C 2.349 178.178 175.800 0.048 0.000 1.105 128 F CA 1.892 59.919 58.000 0.045 0.000 1.239 128 F CB -0.189 38.891 39.000 0.133 0.000 0.991 128 F HN -0.014 nan 8.300 nan 0.000 0.474 129 S N 0.896 116.673 115.700 0.128 0.000 2.370 129 S HA -0.197 4.273 4.470 0.001 0.000 0.226 129 S C 2.081 176.651 174.600 -0.050 0.000 1.033 129 S CA 1.564 59.788 58.200 0.041 0.000 1.011 129 S CB -0.568 62.690 63.200 0.097 0.000 0.852 129 S HN 0.371 nan 8.310 nan 0.000 0.457 130 L N 0.882 122.078 121.223 -0.046 0.000 2.109 130 L HA -0.096 4.245 4.340 0.001 0.000 0.207 130 L C 2.634 179.456 176.870 -0.079 0.000 1.086 130 L CA 1.141 55.952 54.840 -0.047 0.000 0.760 130 L CB -1.042 40.995 42.059 -0.036 0.000 0.910 130 L HN 0.336 nan 8.230 nan 0.000 0.437 131 T N -1.156 113.318 114.554 -0.133 0.000 2.708 131 T HA -0.178 4.172 4.350 0.001 0.000 0.266 131 T C 1.853 176.443 174.700 -0.184 0.000 1.037 131 T CA 1.968 63.970 62.100 -0.164 0.000 1.146 131 T CB -0.405 68.339 68.868 -0.207 0.000 0.865 131 T HN 0.356 nan 8.240 nan 0.000 0.435 132 T N 2.765 117.148 114.554 -0.284 0.000 2.746 132 T HA 0.004 4.355 4.350 0.001 0.000 0.267 132 T C 2.037 176.791 174.700 0.089 0.000 1.039 132 T CA 0.959 62.976 62.100 -0.138 0.000 1.142 132 T CB -0.595 68.141 68.868 -0.220 0.000 0.866 132 T HN 0.240 nan 8.240 nan 0.000 0.444 133 L N 0.217 121.452 121.223 0.021 0.000 2.079 133 L HA -0.091 4.250 4.340 0.001 0.000 0.210 133 L C 2.998 179.907 176.870 0.065 0.000 1.081 133 L CA 1.342 56.217 54.840 0.058 0.000 0.752 133 L CB -0.499 41.569 42.059 0.014 0.000 0.896 133 L HN 0.138 nan 8.230 nan 0.000 0.433 134 R N -0.083 120.423 120.500 0.010 0.000 2.066 134 R HA -0.124 4.217 4.340 0.001 0.000 0.232 134 R C 2.150 178.439 176.300 -0.019 0.000 1.131 134 R CA 1.436 57.532 56.100 -0.007 0.000 0.955 134 R CB -0.399 29.883 30.300 -0.031 0.000 0.851 134 R HN 0.411 nan 8.270 nan 0.000 0.432 135 N N 0.184 118.853 118.700 -0.051 0.000 2.137 135 N HA -0.198 4.543 4.740 0.001 0.000 0.190 135 N C 1.348 176.729 175.510 -0.214 0.000 1.017 135 N CA 1.444 54.406 53.050 -0.146 0.000 0.859 135 N CB -0.351 38.008 38.487 -0.214 0.000 1.002 135 N HN 0.322 nan 8.380 nan 0.000 0.428 136 Y N -0.168 120.110 120.300 -0.037 0.000 2.546 136 Y HA 0.286 4.837 4.550 0.001 0.000 0.287 136 Y C 1.607 177.507 175.900 -0.000 0.000 1.158 136 Y CA 0.428 58.519 58.100 -0.015 0.000 1.307 136 Y CB 0.251 38.703 38.460 -0.013 0.000 1.036 136 Y HN 0.052 nan 8.280 nan 0.000 0.532 141 Q N 0.253 120.063 119.800 0.016 0.000 2.541 141 Q HA -0.006 4.335 4.340 0.001 0.000 0.215 141 Q C 1.533 177.556 176.000 0.038 0.000 0.977 141 Q CA 1.399 57.218 55.803 0.026 0.000 0.934 141 Q CB 0.303 29.053 28.738 0.020 0.000 0.988 141 Q HN 0.798 nan 8.270 nan 0.000 0.521 142 G N 0.611 109.434 108.800 0.038 0.000 2.408 142 G HA2 -0.205 3.755 3.960 0.001 0.000 0.215 142 G HA3 -0.205 3.755 3.960 0.001 0.000 0.215 142 G C 1.338 176.287 174.900 0.081 0.000 1.156 142 G CA 0.296 45.429 45.100 0.056 0.000 0.793 142 G HN 0.234 nan 8.290 nan 0.000 0.535 143 N N 0.511 119.258 118.700 0.079 0.000 2.135 143 N HA -0.068 4.673 4.740 0.001 0.000 0.186 143 N C 2.054 177.622 175.510 0.098 0.000 1.027 143 N CA 1.195 54.301 53.050 0.092 0.000 0.849 143 N CB -0.309 38.226 38.487 0.080 0.000 1.002 143 N HN 0.582 nan 8.380 nan 0.000 0.425 144 E N 0.352 120.603 120.200 0.085 0.000 2.058 144 E HA -0.183 4.167 4.350 0.001 0.000 0.194 144 E C 1.886 178.542 176.600 0.093 0.000 0.997 144 E CA 1.462 57.919 56.400 0.094 0.000 0.801 144 E CB -0.160 29.588 29.700 0.080 0.000 0.746 144 E HN 0.193 nan 8.360 nan 0.000 0.450 145 S N 0.210 115.958 115.700 0.079 0.000 2.353 145 S HA -0.240 4.231 4.470 0.001 0.000 0.222 145 S C 2.165 176.819 174.600 0.090 0.000 1.035 145 S CA 1.620 59.863 58.200 0.072 0.000 1.025 145 S CB -0.394 62.840 63.200 0.057 0.000 0.902 145 S HN 0.358 nan 8.310 nan 0.000 0.440 146 R N 0.102 120.666 120.500 0.107 0.000 2.091 146 R HA -0.058 4.283 4.340 0.001 0.000 0.238 146 R C 2.258 178.656 176.300 0.164 0.000 1.136 146 R CA 1.983 58.165 56.100 0.137 0.000 0.959 146 R CB -0.430 29.956 30.300 0.143 0.000 0.856 146 R HN 0.560 nan 8.270 nan 0.000 0.437 147 I N 0.374 121.035 120.570 0.152 0.000 2.286 147 I HA -0.242 3.928 4.170 0.001 0.000 0.245 147 I C 2.442 178.653 176.117 0.157 0.000 1.104 147 I CA 1.220 62.621 61.300 0.167 0.000 1.397 147 I CB -0.226 37.868 38.000 0.156 0.000 1.072 147 I HN 0.271 nan 8.210 nan 0.000 0.417 148 Q N 0.154 120.028 119.800 0.124 0.000 2.096 148 Q HA -0.264 4.076 4.340 0.001 0.000 0.204 148 Q C 2.293 178.339 176.000 0.077 0.000 0.982 148 Q CA 1.477 57.339 55.803 0.097 0.000 0.850 148 Q CB -0.190 28.594 28.738 0.077 0.000 0.901 148 Q HN 0.222 nan 8.270 nan 0.000 0.422 149 R N 1.144 121.690 120.500 0.077 0.000 2.081 149 R HA -0.167 4.174 4.340 0.001 0.000 0.235 149 R C 1.824 178.175 176.300 0.085 0.000 1.131 149 R CA 1.711 57.832 56.100 0.035 0.000 0.960 149 R CB -0.333 30.008 30.300 0.068 0.000 0.856 149 R HN 0.119 nan 8.270 nan 0.000 0.436 150 E N 0.006 120.361 120.200 0.258 0.000 2.110 150 E HA -0.024 4.327 4.350 0.001 0.000 0.193 150 E C 1.677 178.472 176.600 0.325 0.000 0.988 150 E CA 1.488 58.160 56.400 0.453 0.000 0.804 150 E CB -0.400 29.572 29.700 0.454 0.000 0.745 150 E HN 0.388 nan 8.360 nan 0.000 0.458 151 A N 0.496 123.435 122.820 0.198 0.000 2.032 151 A HA -0.261 4.060 4.320 0.001 0.000 0.221 151 A C 2.191 179.806 177.584 0.051 0.000 1.165 151 A CA 1.843 53.966 52.037 0.144 0.000 0.645 151 A CB -0.989 18.083 19.000 0.120 0.000 0.807 151 A HN 0.550 nan 8.150 nan 0.000 0.453 152 H N -1.160 117.815 119.070 -0.158 0.000 2.353 152 H HA -0.143 4.414 4.556 0.001 0.000 0.300 152 H C 1.622 176.744 175.328 -0.344 0.000 1.090 152 H CA 2.099 57.945 56.048 -0.336 0.000 1.327 152 H CB -0.187 29.248 29.762 -0.544 0.000 1.383 152 H HN 0.512 nan 8.280 nan 0.000 0.508 153 F N 0.160 120.107 119.950 -0.004 0.000 2.293 153 F HA -0.062 4.466 4.527 0.001 0.000 0.297 153 F C 2.507 178.097 175.800 -0.350 0.000 1.089 153 F CA 0.241 58.121 58.000 -0.200 0.000 1.377 153 F CB -0.631 38.354 39.000 -0.025 0.000 1.051 153 F HN 0.134 nan 8.300 nan 0.000 0.511 154 L N 0.044 121.354 121.223 0.144 0.000 1.994 154 L HA -0.148 4.193 4.340 0.001 0.000 0.208 154 L C 2.096 178.987 176.870 0.036 0.000 1.071 154 L CA 1.672 56.631 54.840 0.199 0.000 0.745 154 L CB -1.058 41.181 42.059 0.301 0.000 0.892 154 L HN 0.028 nan 8.230 nan 0.000 0.431 155 L N 0.069 121.296 121.223 0.007 0.000 2.042 155 L HA -0.245 4.095 4.340 0.001 0.000 0.210 155 L C 2.643 179.502 176.870 -0.018 0.000 1.076 155 L CA 2.058 56.922 54.840 0.041 0.000 0.749 155 L CB -1.056 40.951 42.059 -0.087 0.000 0.893 155 L HN 0.541 nan 8.230 nan 0.000 0.432 156 E N -0.781 119.304 120.200 -0.192 0.000 2.058 156 E HA -0.250 4.100 4.350 0.001 0.000 0.194 156 E C 2.158 178.679 176.600 -0.131 0.000 0.997 156 E CA 1.383 57.663 56.400 -0.199 0.000 0.801 156 E CB -0.087 29.435 29.700 -0.297 0.000 0.746 156 E HN 0.460 nan 8.360 nan 0.000 0.450 157 A N 0.652 123.365 122.820 -0.178 0.000 1.929 157 A HA -0.079 4.241 4.320 0.001 0.000 0.216 157 A C 2.194 179.667 177.584 -0.185 0.000 1.176 157 A CA 0.886 52.830 52.037 -0.155 0.000 0.628 157 A CB -0.524 18.398 19.000 -0.130 0.000 0.816 157 A HN 0.317 nan 8.150 nan 0.000 0.444 158 L N -1.222 119.876 121.223 -0.209 0.000 2.017 158 L HA -0.175 4.165 4.340 0.001 0.000 0.208 158 L C 2.795 179.497 176.870 -0.281 0.000 1.073 158 L CA 1.684 56.263 54.840 -0.435 0.000 0.745 158 L CB -0.455 41.170 42.059 -0.724 0.000 0.894 158 L HN 0.400 nan 8.230 nan 0.000 0.432 159 R N 0.477 121.035 120.500 0.097 0.000 2.103 159 R HA -0.252 4.088 4.340 0.001 0.000 0.242 159 R C 2.279 178.605 176.300 0.044 0.000 1.142 159 R CA 1.788 58.028 56.100 0.233 0.000 0.960 159 R CB -0.082 30.320 30.300 0.169 0.000 0.858 159 R HN 0.034 nan 8.270 nan 0.000 0.439 160 K N -0.109 120.267 120.400 -0.041 0.000 2.360 160 K HA -0.094 4.227 4.320 0.001 0.000 0.201 160 K C 1.664 178.207 176.600 -0.095 0.000 1.046 160 K CA 1.798 58.048 56.287 -0.061 0.000 0.945 160 K CB -0.106 32.352 32.500 -0.071 0.000 0.750 160 K HN 0.408 nan 8.250 nan 0.000 0.464 161 T N -1.592 112.850 114.554 -0.187 0.000 3.007 161 T HA -0.127 4.224 4.350 0.001 0.000 0.270 161 T C 0.225 174.882 174.700 -0.072 0.000 1.107 161 T CA 0.541 62.502 62.100 -0.233 0.000 1.118 161 T CB -0.376 68.131 68.868 -0.601 0.000 0.889 161 T HN 0.424 nan 8.240 nan 0.000 0.506 162 Q N 0.263 120.052 119.800 -0.018 0.000 2.470 162 Q HA -0.176 4.165 4.340 0.001 0.000 0.294 162 Q C 1.056 177.092 176.000 0.061 0.000 1.356 162 Q CA 0.219 56.041 55.803 0.032 0.000 0.805 162 Q CB -2.554 26.197 28.738 0.023 0.000 1.157 162 Q HN 0.986 nan 8.270 nan 0.000 0.431 163 G N -0.468 108.386 108.800 0.091 0.000 2.256 163 G HA2 -0.367 3.593 3.960 0.001 0.000 0.279 163 G HA3 -0.367 3.593 3.960 0.001 0.000 0.279 163 G C 0.219 175.195 174.900 0.127 0.000 0.998 163 G CA 1.288 46.464 45.100 0.127 0.000 0.720 163 G HN 0.390 nan 8.290 nan 0.000 0.521 164 Q N 0.150 120.022 119.800 0.119 0.000 2.256 164 Q HA 0.553 4.894 4.340 0.001 0.000 0.232 164 Q C -2.109 174.025 176.000 0.223 0.000 0.965 164 Q CA -1.842 54.038 55.803 0.129 0.000 0.908 164 Q CB 0.851 29.642 28.738 0.090 0.000 1.209 164 Q HN 0.203 nan 8.270 nan 0.000 0.489 165 P HA 0.224 nan 4.420 nan 0.000 0.275 165 P C -1.269 176.182 177.300 0.252 0.000 1.227 165 P CA -0.019 63.179 63.100 0.163 0.000 0.781 165 P CB 0.289 32.030 31.700 0.069 0.000 0.906 166 F N -0.916 119.026 119.950 -0.013 0.000 2.654 166 F HA 0.481 5.008 4.527 0.001 0.000 0.308 166 F C -1.065 174.687 175.800 -0.080 0.000 1.108 166 F CA -1.302 56.679 58.000 -0.032 0.000 0.957 166 F CB 1.218 40.203 39.000 -0.025 0.000 1.309 166 F HN 0.045 nan 8.300 nan 0.000 0.446 167 D N 4.465 124.821 120.400 -0.072 0.000 2.338 167 D HA 0.228 4.868 4.640 0.001 0.000 0.255 167 D C -1.572 174.634 176.300 -0.156 0.000 1.237 167 D CA -2.030 51.829 54.000 -0.236 0.000 0.883 167 D CB 1.664 42.387 40.800 -0.129 0.000 1.087 167 D HN 0.429 nan 8.370 nan 0.000 0.485 168 P HA -0.049 nan 4.420 nan 0.000 0.237 168 P C 1.077 178.282 177.300 -0.157 0.000 1.178 168 P CA 0.348 63.364 63.100 -0.140 0.000 0.766 168 P CB 0.338 31.868 31.700 -0.284 0.000 0.876 169 T N 0.126 114.468 114.554 -0.354 0.000 2.684 169 T HA -0.116 4.235 4.350 0.001 0.000 0.267 169 T C 0.887 175.222 174.700 -0.609 0.000 1.036 169 T CA 1.416 63.158 62.100 -0.597 0.000 1.148 169 T CB -0.723 67.569 68.868 -0.960 0.000 0.863 169 T HN 0.188 nan 8.240 nan 0.000 0.436 170 F N 0.262 120.176 119.950 -0.059 0.000 2.837 170 F HA 0.509 5.036 4.527 0.001 0.000 0.298 170 F C 1.104 176.862 175.800 -0.070 0.000 1.161 170 F CA -0.457 57.478 58.000 -0.108 0.000 1.353 170 F CB 0.118 39.048 39.000 -0.116 0.000 0.951 170 F HN 0.042 nan 8.300 nan 0.000 0.508 171 L N -0.792 120.486 121.223 0.092 0.000 2.738 171 L HA 0.243 4.584 4.340 0.001 0.000 0.175 171 L C 1.980 178.931 176.870 0.135 0.000 1.125 171 L CA 0.509 55.444 54.840 0.158 0.000 0.857 171 L CB -0.090 42.095 42.059 0.210 0.000 1.300 171 L HN 0.024 nan 8.230 nan 0.000 0.499 172 I N 0.781 121.419 120.570 0.113 0.000 2.194 172 I HA -0.264 3.907 4.170 0.001 0.000 0.246 172 I C 2.318 178.465 176.117 0.050 0.000 1.093 172 I CA 1.714 63.073 61.300 0.097 0.000 1.355 172 I CB -0.711 37.325 38.000 0.060 0.000 1.046 172 I HN 0.490 nan 8.210 nan 0.000 0.413 173 G N -0.325 108.461 108.800 -0.022 0.000 2.470 173 G HA2 -0.212 3.749 3.960 0.001 0.000 0.220 173 G HA3 -0.212 3.749 3.960 0.001 0.000 0.220 173 G C 1.642 176.503 174.900 -0.066 0.000 1.121 173 G CA 0.747 45.822 45.100 -0.043 0.000 0.766 173 G HN 0.428 nan 8.290 nan 0.000 0.553 174 C N 0.827 120.026 119.300 -0.168 0.000 2.425 174 C HA 0.169 4.629 4.460 0.001 0.000 0.277 174 C C 3.454 178.500 174.990 0.093 0.000 1.280 174 C CA 0.580 59.474 59.018 -0.207 0.000 1.744 174 C CB -0.997 26.149 27.740 -0.990 0.000 1.989 174 C HN 0.589 nan 8.230 nan 0.000 0.491 175 A N 2.334 125.238 122.820 0.140 0.000 1.849 175 A HA -0.152 4.168 4.320 0.001 0.000 0.217 175 A C 0.397 178.138 177.584 0.261 0.000 1.202 175 A CA 2.396 54.605 52.037 0.286 0.000 0.629 175 A CB -2.009 17.158 19.000 0.278 0.000 0.834 175 A HN 0.485 nan 8.150 nan 0.000 0.447 176 P HA -0.100 nan 4.420 nan 0.000 0.218 176 P C 1.818 179.263 177.300 0.241 0.000 1.149 176 P CA 1.279 64.493 63.100 0.190 0.000 0.817 176 P CB -0.453 31.322 31.700 0.126 0.000 0.785 177 C N -0.241 119.216 119.300 0.261 0.000 2.429 177 C HA -0.058 4.402 4.460 0.001 0.000 0.277 177 C C 2.613 177.938 174.990 0.558 0.000 1.262 177 C CA 1.111 60.365 59.018 0.394 0.000 1.733 177 C CB -2.082 25.827 27.740 0.281 0.000 2.010 177 C HN 0.163 nan 8.230 nan 0.000 0.483 178 N N 0.481 119.478 118.700 0.495 0.000 2.166 178 N HA -0.089 4.652 4.740 0.001 0.000 0.186 178 N C 1.691 177.427 175.510 0.377 0.000 1.019 178 N CA 1.548 54.842 53.050 0.407 0.000 0.856 178 N CB -0.350 38.319 38.487 0.303 0.000 0.993 178 N HN 0.443 nan 8.380 nan 0.000 0.426 179 V N 0.922 121.036 119.914 0.333 0.000 2.307 179 V HA -0.158 3.962 4.120 0.001 0.000 0.245 179 V C 2.267 178.491 176.094 0.216 0.000 1.045 179 V CA 0.991 63.449 62.300 0.263 0.000 1.024 179 V CB -0.386 31.574 31.823 0.227 0.000 0.651 179 V HN 0.185 nan 8.190 nan 0.000 0.449 180 I N 0.870 121.584 120.570 0.240 0.000 2.315 180 I HA -0.140 4.031 4.170 0.001 0.000 0.248 180 I C 2.365 178.565 176.117 0.138 0.000 1.117 180 I CA 1.636 63.050 61.300 0.190 0.000 1.404 180 I CB -0.599 37.556 38.000 0.257 0.000 1.071 180 I HN 0.167 nan 8.210 nan 0.000 0.419 181 A N -0.430 122.568 122.820 0.297 0.000 1.972 181 A HA -0.267 4.054 4.320 0.001 0.000 0.219 181 A C 2.085 179.775 177.584 0.177 0.000 1.169 181 A CA 2.059 54.271 52.037 0.292 0.000 0.635 181 A CB -0.972 18.401 19.000 0.622 0.000 0.810 181 A HN 0.533 nan 8.150 nan 0.000 0.446 182 D N -0.214 120.293 120.400 0.177 0.000 2.144 182 D HA -0.089 4.552 4.640 0.001 0.000 0.200 182 D C 1.699 178.009 176.300 0.016 0.000 0.978 182 D CA 1.193 55.270 54.000 0.128 0.000 0.833 182 D CB -0.189 40.713 40.800 0.170 0.000 0.961 182 D HN 0.485 nan 8.370 nan 0.000 0.470 183 I N -0.385 120.156 120.570 -0.048 0.000 2.252 183 I HA -0.193 3.977 4.170 0.001 0.000 0.245 183 I C 1.905 177.782 176.117 -0.399 0.000 1.102 183 I CA 0.459 61.619 61.300 -0.233 0.000 1.385 183 I CB 0.026 37.933 38.000 -0.156 0.000 1.064 183 I HN 0.121 nan 8.210 nan 0.000 0.414 184 L N -0.799 120.185 121.223 -0.398 0.000 2.145 184 L HA 0.040 4.380 4.340 0.001 0.000 0.201 184 L C 1.344 177.820 176.870 -0.657 0.000 1.075 184 L CA 1.857 56.293 54.840 -0.673 0.000 0.773 184 L CB -0.302 41.130 42.059 -1.044 0.000 0.936 184 L HN 0.087 nan 8.230 nan 0.000 0.451 185 F N -0.517 119.394 119.950 -0.066 0.000 2.706 185 F HA 0.227 4.755 4.527 0.001 0.000 0.313 185 F C 0.997 176.857 175.800 0.100 0.000 1.096 185 F CA -0.270 57.755 58.000 0.042 0.000 1.219 185 F CB -0.364 38.647 39.000 0.019 0.000 1.051 185 F HN 0.054 nan 8.300 nan 0.000 0.568 186 R N -0.486 120.111 120.500 0.163 0.000 3.722 186 R HA -0.300 4.040 4.340 0.001 0.000 0.284 186 R C -0.622 175.739 176.300 0.103 0.000 1.165 186 R CA 0.848 57.020 56.100 0.119 0.000 0.779 186 R CB -2.638 27.723 30.300 0.101 0.000 1.179 186 R HN 0.137 nan 8.270 nan 0.000 0.491 187 K N 0.831 121.306 120.400 0.126 0.000 2.138 187 K HA 0.410 4.731 4.320 0.001 0.000 0.263 187 K C -1.119 175.448 176.600 -0.055 0.000 0.965 187 K CA -0.882 55.388 56.287 -0.030 0.000 0.868 187 K CB 0.932 33.346 32.500 -0.143 0.000 1.083 187 K HN 0.368 nan 8.250 nan 0.000 0.443 188 H N 3.877 122.767 119.070 -0.301 0.000 2.529 188 H HA 0.373 4.929 4.556 0.001 0.000 0.348 188 H C -1.167 173.860 175.328 -0.501 0.000 1.079 188 H CA -0.630 55.251 56.048 -0.279 0.000 1.198 188 H CB 0.629 30.289 29.762 -0.170 0.000 1.521 188 H HN 0.415 nan 8.280 nan 0.000 0.514 189 F N 2.033 121.433 119.950 -0.917 0.000 2.450 189 F HA 0.131 4.658 4.527 0.001 0.000 0.332 189 F C 0.715 176.031 175.800 -0.807 0.000 1.093 189 F CA -0.706 56.760 58.000 -0.890 0.000 1.003 189 F CB 1.203 39.240 39.000 -1.604 0.000 1.151 189 F HN 0.576 nan 8.300 nan 0.000 0.474 190 D N 0.443 120.749 120.400 -0.157 0.000 2.362 190 D HA 0.014 4.654 4.640 0.001 0.000 0.242 190 D C 0.448 176.908 176.300 0.268 0.000 1.132 190 D CA 0.199 54.226 54.000 0.044 0.000 0.907 190 D CB 0.576 41.421 40.800 0.075 0.000 1.195 190 D HN 0.408 nan 8.370 nan 0.000 0.429 191 Y N 0.953 121.323 120.300 0.117 0.000 2.571 191 Y HA 0.023 4.574 4.550 0.001 0.000 0.294 191 Y C 0.694 176.721 175.900 0.212 0.000 1.141 191 Y CA 0.622 58.877 58.100 0.259 0.000 1.308 191 Y CB -0.477 38.097 38.460 0.190 0.000 1.002 191 Y HN 0.439 nan 8.280 nan 0.000 0.551 192 N N -1.532 117.336 118.700 0.281 0.000 2.433 192 N HA 0.079 4.820 4.740 0.001 0.000 0.270 192 N C -1.043 174.544 175.510 0.130 0.000 1.354 192 N CA -0.323 52.825 53.050 0.163 0.000 0.889 192 N CB 0.040 38.591 38.487 0.106 0.000 1.285 192 N HN -0.093 nan 8.380 nan 0.000 0.503 193 D N 1.086 121.596 120.400 0.184 0.000 2.450 193 D HA -0.012 4.629 4.640 0.001 0.000 0.247 193 D C 0.806 177.170 176.300 0.106 0.000 1.162 193 D CA 0.338 54.434 54.000 0.161 0.000 0.879 193 D CB 0.957 41.906 40.800 0.249 0.000 1.163 193 D HN 0.243 nan 8.370 nan 0.000 0.472 194 E N 2.281 122.506 120.200 0.042 0.000 2.150 194 E HA -0.157 4.193 4.350 0.001 0.000 0.193 194 E C 1.433 177.988 176.600 -0.074 0.000 0.985 194 E CA 0.579 56.958 56.400 -0.036 0.000 0.814 194 E CB 0.229 29.901 29.700 -0.047 0.000 0.752 194 E HN 0.370 nan 8.360 nan 0.000 0.466 195 K N 0.339 120.733 120.400 -0.010 0.000 2.103 195 K HA -0.101 4.220 4.320 0.001 0.000 0.204 195 K C 1.897 178.365 176.600 -0.219 0.000 1.052 195 K CA 0.605 56.852 56.287 -0.066 0.000 0.945 195 K CB -0.336 32.216 32.500 0.087 0.000 0.722 195 K HN 0.098 nan 8.250 nan 0.000 0.443 196 F N 2.223 121.932 119.950 -0.402 0.000 2.069 196 F HA -0.196 4.331 4.527 0.001 0.000 0.298 196 F C 2.015 177.526 175.800 -0.483 0.000 1.113 196 F CA 1.324 58.922 58.000 -0.669 0.000 1.214 196 F CB -0.602 38.099 39.000 -0.498 0.000 0.978 196 F HN -0.100 nan 8.300 nan 0.000 0.474 197 L N -0.440 120.569 121.223 -0.356 0.000 2.017 197 L HA -0.219 4.121 4.340 0.001 0.000 0.208 197 L C 2.597 179.156 176.870 -0.517 0.000 1.073 197 L CA 1.580 56.133 54.840 -0.477 0.000 0.745 197 L CB -0.771 41.088 42.059 -0.334 0.000 0.894 197 L HN 0.052 nan 8.230 nan 0.000 0.432 198 R N 0.490 120.740 120.500 -0.416 0.000 2.091 198 R HA -0.189 4.152 4.340 0.001 0.000 0.238 198 R C 2.073 178.106 176.300 -0.445 0.000 1.136 198 R CA 1.699 57.562 56.100 -0.395 0.000 0.959 198 R CB -0.643 29.469 30.300 -0.313 0.000 0.856 198 R HN 0.107 nan 8.270 nan 0.000 0.437 199 L N 0.013 120.876 121.223 -0.600 0.000 2.027 199 L HA -0.016 4.325 4.340 0.001 0.000 0.206 199 L C 2.324 178.505 176.870 -1.147 0.000 1.074 199 L CA 1.844 56.137 54.840 -0.912 0.000 0.745 199 L CB -0.781 40.698 42.059 -0.967 0.000 0.898 199 L HN 0.305 nan 8.230 nan 0.000 0.433 200 M N -2.538 116.592 119.600 -0.783 0.000 2.159 200 M HA -0.283 4.198 4.480 0.001 0.000 0.263 200 M C 2.283 178.486 176.300 -0.162 0.000 1.063 200 M CA 1.688 56.747 55.300 -0.403 0.000 1.110 200 M CB -0.471 31.934 32.600 -0.325 0.000 1.374 200 M HN 0.230 nan 8.290 nan 0.000 0.411 201 Y N 1.013 121.017 120.300 -0.493 0.000 2.200 201 Y HA -0.203 4.348 4.550 0.001 0.000 0.290 201 Y C 1.863 177.639 175.900 -0.206 0.000 1.137 201 Y CA 1.626 59.490 58.100 -0.394 0.000 1.163 201 Y CB -0.111 38.026 38.460 -0.538 0.000 0.988 201 Y HN 0.074 nan 8.280 nan 0.000 0.518 202 L N -1.331 119.791 121.223 -0.168 0.000 2.056 202 L HA -0.196 4.145 4.340 0.001 0.000 0.207 202 L C 2.204 178.994 176.870 -0.132 0.000 1.078 202 L CA 0.815 55.536 54.840 -0.198 0.000 0.749 202 L CB -0.722 41.176 42.059 -0.268 0.000 0.901 202 L HN 0.186 nan 8.230 nan 0.000 0.433 203 F N 0.580 120.437 119.950 -0.154 0.000 2.069 203 F HA -0.250 4.277 4.527 0.001 0.000 0.298 203 F C 2.473 178.387 175.800 0.189 0.000 1.113 203 F CA 1.592 59.585 58.000 -0.012 0.000 1.214 203 F CB -1.362 37.711 39.000 0.123 0.000 0.978 203 F HN 0.213 nan 8.300 nan 0.000 0.474 204 N N 0.093 118.966 118.700 0.290 0.000 2.084 204 N HA -0.232 4.509 4.740 0.001 0.000 0.190 204 N C 1.893 177.485 175.510 0.136 0.000 1.030 204 N CA 1.551 54.728 53.050 0.212 0.000 0.849 204 N CB -0.246 38.346 38.487 0.176 0.000 1.012 204 N HN 0.382 nan 8.380 nan 0.000 0.423 205 E N -0.236 119.910 120.200 -0.091 0.000 2.058 205 E HA -0.246 4.105 4.350 0.001 0.000 0.194 205 E C 1.479 178.086 176.600 0.012 0.000 0.997 205 E CA 1.365 57.667 56.400 -0.162 0.000 0.801 205 E CB -0.064 29.423 29.700 -0.355 0.000 0.746 205 E HN 0.429 nan 8.360 nan 0.000 0.450 206 N N 0.129 118.848 118.700 0.031 0.000 2.043 206 N HA -0.189 4.551 4.740 0.001 0.000 0.193 206 N C 1.629 177.277 175.510 0.229 0.000 1.037 206 N CA 1.102 54.187 53.050 0.058 0.000 0.851 206 N CB -0.728 37.711 38.487 -0.080 0.000 1.027 206 N HN 0.173 nan 8.380 nan 0.000 0.422 207 F N 1.234 121.346 119.950 0.269 0.000 2.154 207 F HA -0.234 4.294 4.527 0.001 0.000 0.301 207 F C 2.534 178.434 175.800 0.167 0.000 1.087 207 F CA 1.848 59.993 58.000 0.242 0.000 1.274 207 F CB -0.540 38.622 39.000 0.271 0.000 1.009 207 F HN 0.265 nan 8.300 nan 0.000 0.485 208 H N -0.579 118.571 119.070 0.134 0.000 2.299 208 H HA -0.088 4.468 4.556 0.001 0.000 0.302 208 H C 2.233 177.507 175.328 -0.089 0.000 1.078 208 H CA 2.296 58.354 56.048 0.017 0.000 1.323 208 H CB -0.277 29.502 29.762 0.027 0.000 1.381 208 H HN 0.284 nan 8.280 nan 0.000 0.498 209 L N 0.010 121.303 121.223 0.116 0.000 2.093 209 L HA -0.136 4.204 4.340 0.001 0.000 0.208 209 L C 2.355 179.204 176.870 -0.034 0.000 1.085 209 L CA 0.705 55.563 54.840 0.029 0.000 0.755 209 L CB -0.279 41.792 42.059 0.021 0.000 0.904 209 L HN 0.344 nan 8.230 nan 0.000 0.435 210 L N -0.891 120.303 121.223 -0.049 0.000 2.261 210 L HA -0.178 4.162 4.340 0.001 0.000 0.216 210 L C 2.104 178.960 176.870 -0.023 0.000 1.114 210 L CA 0.805 55.611 54.840 -0.057 0.000 0.777 210 L CB -0.353 41.558 42.059 -0.245 0.000 0.910 210 L HN 0.162 nan 8.230 nan 0.000 0.440 211 S N -1.535 114.098 115.700 -0.111 0.000 2.575 211 S HA 0.027 4.497 4.470 0.001 0.000 0.215 211 S C 0.819 175.338 174.600 -0.136 0.000 0.966 211 S CA 0.178 58.307 58.200 -0.118 0.000 0.911 211 S CB -0.184 62.899 63.200 -0.194 0.000 0.780 211 S HN 0.553 nan 8.310 nan 0.000 0.514 212 T N -0.179 114.275 114.554 -0.168 0.000 2.929 212 T HA 0.366 4.716 4.350 0.001 0.000 0.284 212 T C -2.018 172.669 174.700 -0.021 0.000 1.014 212 T CA -2.035 59.953 62.100 -0.186 0.000 1.051 212 T CB 1.516 70.223 68.868 -0.269 0.000 1.028 212 T HN -0.189 nan 8.240 nan 0.000 0.485 213 P HA -0.153 nan 4.420 nan 0.000 0.216 213 P C 1.369 178.732 177.300 0.105 0.000 1.153 213 P CA 1.202 64.340 63.100 0.063 0.000 0.858 213 P CB -0.127 31.624 31.700 0.085 0.000 0.789 214 W N 0.720 122.011 121.300 -0.015 0.000 2.381 214 W HA -0.122 4.539 4.660 0.001 0.000 0.301 214 W C 1.925 178.477 176.519 0.055 0.000 1.205 214 W CA 0.692 58.042 57.345 0.008 0.000 1.285 214 W CB -0.762 28.698 29.460 0.000 0.000 1.133 214 W HN -0.164 nan 8.180 nan 0.000 0.521 215 L N 1.013 122.277 121.223 0.069 0.000 2.083 215 L HA -0.278 4.063 4.340 0.001 0.000 0.209 215 L C 2.913 179.787 176.870 0.008 0.000 1.083 215 L CA 1.462 56.324 54.840 0.036 0.000 0.752 215 L CB -0.920 41.189 42.059 0.083 0.000 0.899 215 L HN -0.050 nan 8.230 nan 0.000 0.433 216 Q N -0.825 118.970 119.800 -0.008 0.000 2.124 216 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 216 Q C 2.319 178.297 176.000 -0.036 0.000 0.977 216 Q CA 1.442 57.239 55.803 -0.011 0.000 0.850 216 Q CB -0.395 28.334 28.738 -0.015 0.000 0.901 216 Q HN 0.390 nan 8.270 nan 0.000 0.429 217 L N -0.271 120.884 121.223 -0.114 0.000 2.044 217 L HA -0.162 4.179 4.340 0.001 0.000 0.205 217 L C 2.333 179.123 176.870 -0.135 0.000 1.075 217 L CA 1.566 56.322 54.840 -0.139 0.000 0.747 217 L CB -0.814 41.028 42.059 -0.362 0.000 0.903 217 L HN 0.190 nan 8.230 nan 0.000 0.435 218 Y N 0.182 120.190 120.300 -0.488 0.000 2.128 218 Y HA -0.306 4.244 4.550 0.001 0.000 0.284 218 Y C 2.298 178.112 175.900 -0.143 0.000 1.154 218 Y CA 2.128 59.980 58.100 -0.413 0.000 1.149 218 Y CB -0.228 37.931 38.460 -0.502 0.000 0.976 218 Y HN 0.316 nan 8.280 nan 0.000 0.505 219 N N 0.471 119.030 118.700 -0.234 0.000 2.453 219 N HA -0.148 4.592 4.740 0.001 0.000 0.183 219 N C 0.645 176.015 175.510 -0.235 0.000 1.041 219 N CA 1.063 53.956 53.050 -0.262 0.000 0.900 219 N CB -0.227 38.242 38.487 -0.031 0.000 0.961 219 N HN 0.600 nan 8.380 nan 0.000 0.443 220 N N -0.565 118.021 118.700 -0.190 0.000 2.250 220 N HA 0.080 4.821 4.740 0.001 0.000 0.190 220 N C -0.363 174.843 175.510 -0.506 0.000 1.116 220 N CA 0.180 53.047 53.050 -0.304 0.000 0.881 220 N CB 0.462 38.774 38.487 -0.291 0.000 1.006 220 N HN 0.109 nan 8.380 nan 0.000 0.491 221 F N 0.961 120.821 119.950 -0.151 0.000 2.761 221 F HA 0.353 4.881 4.527 0.001 0.000 0.367 221 F C -1.607 174.143 175.800 -0.084 0.000 1.386 221 F CA -1.515 56.483 58.000 -0.002 0.000 1.177 221 F CB 1.281 40.323 39.000 0.070 0.000 1.092 221 F HN -0.108 nan 8.300 nan 0.000 0.517 222 P HA -0.102 nan 4.420 nan 0.000 0.219 222 P C 1.482 178.765 177.300 -0.029 0.000 1.150 222 P CA 1.175 64.096 63.100 -0.298 0.000 0.814 222 P CB 0.318 31.753 31.700 -0.443 0.000 0.787 223 S N 0.210 115.847 115.700 -0.105 0.000 2.353 223 S HA -0.149 4.321 4.470 0.001 0.000 0.222 223 S C 1.705 176.264 174.600 -0.069 0.000 1.035 223 S CA 1.464 59.561 58.200 -0.172 0.000 1.025 223 S CB -1.322 61.603 63.200 -0.458 0.000 0.902 223 S HN 0.078 nan 8.310 nan 0.000 0.440 224 F N 0.493 120.522 119.950 0.133 0.000 2.293 224 F HA 0.068 4.596 4.527 0.001 0.000 0.300 224 F C 1.659 177.553 175.800 0.156 0.000 1.086 224 F CA 0.557 58.640 58.000 0.139 0.000 1.375 224 F CB -0.202 38.872 39.000 0.124 0.000 1.045 224 F HN 0.148 nan 8.300 nan 0.000 0.516 225 L N -2.273 119.145 121.223 0.325 0.000 2.642 225 L HA 0.104 4.444 4.340 0.001 0.000 0.233 225 L C 2.024 179.012 176.870 0.197 0.000 1.077 225 L CA 0.630 55.608 54.840 0.230 0.000 0.879 225 L CB -1.418 40.673 42.059 0.054 0.000 1.151 225 L HN 0.094 nan 8.230 nan 0.000 0.495 226 H N -0.444 118.734 119.070 0.180 0.000 2.357 226 H HA -0.237 4.320 4.556 0.001 0.000 0.296 226 H C 1.040 176.389 175.328 0.035 0.000 1.108 226 H CA 2.265 58.378 56.048 0.108 0.000 1.273 226 H CB 0.061 29.734 29.762 -0.147 0.000 1.367 226 H HN 0.309 nan 8.280 nan 0.000 0.498 227 Y N 0.163 120.725 120.300 0.437 0.000 2.532 227 Y HA 0.216 4.767 4.550 0.001 0.000 0.283 227 Y C 0.113 176.157 175.900 0.240 0.000 1.181 227 Y CA -0.337 57.952 58.100 0.314 0.000 1.256 227 Y CB 0.155 38.759 38.460 0.241 0.000 1.112 227 Y HN 0.085 nan 8.280 nan 0.000 0.521 228 L N 1.515 122.968 121.223 0.384 0.000 2.416 228 L HA 0.397 4.738 4.340 0.001 0.000 0.262 228 L C -2.161 174.877 176.870 0.281 0.000 1.093 228 L CA -2.304 52.719 54.840 0.304 0.000 0.801 228 L CB 0.427 42.672 42.059 0.310 0.000 1.191 228 L HN -0.131 nan 8.230 nan 0.000 0.459 229 P HA 0.318 nan 4.420 nan 0.000 0.269 229 P C -0.179 177.136 177.300 0.026 0.000 1.215 229 P CA 0.078 63.184 63.100 0.010 0.000 0.780 229 P CB 0.834 32.502 31.700 -0.052 0.000 0.898 230 G N -0.517 108.186 108.800 -0.162 0.000 2.352 230 G HA2 0.075 4.035 3.960 0.001 0.000 0.302 230 G HA3 0.075 4.035 3.960 0.001 0.000 0.302 230 G C 0.664 175.421 174.900 -0.238 0.000 1.370 230 G CA -0.195 44.765 45.100 -0.232 0.000 0.918 230 G HN 0.219 nan 8.290 nan 0.000 0.610 231 S N -0.072 115.558 115.700 -0.117 0.000 2.389 231 S HA -0.255 4.215 4.470 0.001 0.000 0.231 231 S C 2.231 176.814 174.600 -0.028 0.000 1.052 231 S CA 2.565 60.764 58.200 -0.002 0.000 1.053 231 S CB -0.549 62.751 63.200 0.166 0.000 0.886 231 S HN 0.913 nan 8.310 nan 0.000 0.456 232 H N 1.174 120.228 119.070 -0.026 0.000 2.394 232 H HA -0.089 4.468 4.556 0.001 0.000 0.297 232 H C 2.085 177.171 175.328 -0.404 0.000 1.113 232 H CA 1.770 57.578 56.048 -0.400 0.000 1.277 232 H CB -0.735 28.391 29.762 -1.060 0.000 1.370 232 H HN 0.361 nan 8.280 nan 0.000 0.506 233 R N 0.716 120.713 120.500 -0.839 0.000 2.073 233 R HA -0.081 4.259 4.340 0.001 0.000 0.234 233 R C 2.656 178.750 176.300 -0.343 0.000 1.134 233 R CA 1.554 57.304 56.100 -0.583 0.000 0.952 233 R CB -0.122 29.843 30.300 -0.558 0.000 0.850 233 R HN 0.250 nan 8.270 nan 0.000 0.433 234 K N 0.331 120.564 120.400 -0.279 0.000 2.044 234 K HA -0.169 4.152 4.320 0.001 0.000 0.210 234 K C 1.833 178.305 176.600 -0.214 0.000 1.049 234 K CA 1.646 57.813 56.287 -0.200 0.000 0.927 234 K CB -0.273 32.136 32.500 -0.152 0.000 0.713 234 K HN -0.036 nan 8.250 nan 0.000 0.443 235 V N 0.927 120.701 119.914 -0.234 0.000 2.233 235 V HA -0.294 3.826 4.120 0.001 0.000 0.247 235 V C 2.224 178.095 176.094 -0.372 0.000 1.050 235 V CA 2.202 64.329 62.300 -0.289 0.000 1.010 235 V CB -0.458 31.205 31.823 -0.266 0.000 0.637 235 V HN 0.306 nan 8.190 nan 0.000 0.444 236 I N -0.429 119.931 120.570 -0.350 0.000 2.118 236 I HA -0.304 3.866 4.170 0.001 0.000 0.241 236 I C 2.571 178.531 176.117 -0.261 0.000 1.070 236 I CA 1.791 62.889 61.300 -0.338 0.000 1.327 236 I CB -0.405 37.451 38.000 -0.240 0.000 1.034 236 I HN 0.208 nan 8.210 nan 0.000 0.405 237 K N 0.705 120.980 120.400 -0.209 0.000 2.032 237 K HA -0.174 4.147 4.320 0.001 0.000 0.209 237 K C 1.837 178.346 176.600 -0.152 0.000 1.048 237 K CA 1.508 57.705 56.287 -0.151 0.000 0.927 237 K CB -0.464 31.956 32.500 -0.134 0.000 0.712 237 K HN 0.213 nan 8.250 nan 0.000 0.441 238 N N -0.012 118.576 118.700 -0.186 0.000 2.104 238 N HA -0.132 4.608 4.740 0.001 0.000 0.190 238 N C 1.702 177.089 175.510 -0.205 0.000 1.024 238 N CA 1.082 54.021 53.050 -0.184 0.000 0.853 238 N CB -0.474 37.888 38.487 -0.207 0.000 1.008 238 N HN -0.063 nan 8.380 nan 0.000 0.424 239 V N 1.442 121.178 119.914 -0.298 0.000 2.237 239 V HA -0.245 3.876 4.120 0.001 0.000 0.245 239 V C 2.393 178.429 176.094 -0.096 0.000 1.046 239 V CA 1.904 64.029 62.300 -0.291 0.000 1.007 239 V CB -1.192 30.305 31.823 -0.544 0.000 0.638 239 V HN 0.333 nan 8.190 nan 0.000 0.445 240 A N -0.394 122.362 122.820 -0.108 0.000 1.929 240 A HA -0.399 3.921 4.320 0.001 0.000 0.221 240 A C 2.265 179.855 177.584 0.009 0.000 1.211 240 A CA 2.705 54.724 52.037 -0.029 0.000 0.657 240 A CB -0.777 18.199 19.000 -0.040 0.000 0.827 240 A HN 0.681 nan 8.150 nan 0.000 0.462 241 E N -0.706 119.482 120.200 -0.020 0.000 2.153 241 E HA -0.117 4.234 4.350 0.001 0.000 0.194 241 E C 1.855 178.487 176.600 0.054 0.000 0.988 241 E CA 1.274 57.674 56.400 -0.001 0.000 0.811 241 E CB -0.114 29.557 29.700 -0.049 0.000 0.746 241 E HN 0.391 nan 8.360 nan 0.000 0.466 242 V N 1.043 120.992 119.914 0.058 0.000 2.323 242 V HA -0.220 3.900 4.120 0.001 0.000 0.244 242 V C 2.305 178.569 176.094 0.283 0.000 1.041 242 V CA 1.801 64.201 62.300 0.167 0.000 1.025 242 V CB -0.418 31.522 31.823 0.194 0.000 0.656 242 V HN 0.207 nan 8.190 nan 0.000 0.451 243 K N -0.160 120.378 120.400 0.229 0.000 2.074 243 K HA -0.255 4.065 4.320 0.001 0.000 0.209 243 K C 2.316 179.008 176.600 0.154 0.000 1.048 243 K CA 1.740 58.145 56.287 0.198 0.000 0.926 243 K CB -0.296 32.287 32.500 0.138 0.000 0.713 243 K HN 0.474 nan 8.250 nan 0.000 0.444 244 E N 0.729 121.003 120.200 0.122 0.000 2.048 244 E HA -0.278 4.073 4.350 0.001 0.000 0.202 244 E C 1.920 178.585 176.600 0.108 0.000 1.021 244 E CA 1.779 58.235 56.400 0.092 0.000 0.825 244 E CB -0.509 29.235 29.700 0.072 0.000 0.756 244 E HN 0.414 nan 8.360 nan 0.000 0.454 245 Y N 0.967 121.306 120.300 0.065 0.000 2.165 245 Y HA -0.209 4.342 4.550 0.001 0.000 0.286 245 Y C 2.407 178.348 175.900 0.068 0.000 1.155 245 Y CA 1.978 60.118 58.100 0.066 0.000 1.164 245 Y CB -0.202 38.314 38.460 0.094 0.000 0.978 245 Y HN -0.074 nan 8.280 nan 0.000 0.513 246 V N -0.947 119.133 119.914 0.278 0.000 2.307 246 V HA -0.271 3.849 4.120 0.001 0.000 0.245 246 V C 2.580 178.707 176.094 0.054 0.000 1.045 246 V CA 1.854 64.292 62.300 0.231 0.000 1.024 246 V CB -1.097 30.987 31.823 0.435 0.000 0.651 246 V HN 0.480 nan 8.190 nan 0.000 0.449 247 S N -0.256 115.480 115.700 0.059 0.000 2.378 247 S HA -0.291 4.180 4.470 0.001 0.000 0.229 247 S C 2.047 176.627 174.600 -0.032 0.000 1.052 247 S CA 2.097 60.309 58.200 0.021 0.000 1.084 247 S CB -0.318 62.899 63.200 0.029 0.000 0.950 247 S HN 0.653 nan 8.310 nan 0.000 0.440 248 E N 0.845 120.990 120.200 -0.093 0.000 2.077 248 E HA -0.066 4.284 4.350 0.001 0.000 0.193 248 E C 2.325 178.831 176.600 -0.156 0.000 0.989 248 E CA 0.779 57.102 56.400 -0.129 0.000 0.800 248 E CB -0.397 29.198 29.700 -0.175 0.000 0.746 248 E HN 0.393 nan 8.360 nan 0.000 0.452 249 R N 0.462 120.795 120.500 -0.279 0.000 2.115 249 R HA -0.021 4.319 4.340 0.001 0.000 0.230 249 R C 2.416 178.711 176.300 -0.009 0.000 1.111 249 R CA 0.443 56.392 56.100 -0.252 0.000 0.976 249 R CB -0.930 28.971 30.300 -0.665 0.000 0.870 249 R HN 0.119 nan 8.270 nan 0.000 0.445 250 V N 1.256 121.161 119.914 -0.015 0.000 2.379 250 V HA -0.197 3.923 4.120 0.001 0.000 0.245 250 V C 2.211 178.361 176.094 0.094 0.000 1.044 250 V CA 1.578 63.893 62.300 0.025 0.000 1.036 250 V CB -0.294 31.544 31.823 0.026 0.000 0.664 250 V HN 0.278 nan 8.190 nan 0.000 0.453 251 K N 0.001 120.436 120.400 0.058 0.000 2.026 251 K HA -0.216 4.104 4.320 0.001 0.000 0.208 251 K C 2.136 178.809 176.600 0.122 0.000 1.048 251 K CA 1.867 58.202 56.287 0.079 0.000 0.929 251 K CB -0.249 32.271 32.500 0.033 0.000 0.713 251 K HN 0.522 nan 8.250 nan 0.000 0.439 252 E N -0.149 120.105 120.200 0.090 0.000 2.097 252 E HA -0.233 4.118 4.350 0.001 0.000 0.196 252 E C 2.010 178.672 176.600 0.103 0.000 1.000 252 E CA 1.464 57.908 56.400 0.073 0.000 0.804 252 E CB -0.150 29.568 29.700 0.031 0.000 0.740 252 E HN 0.374 nan 8.360 nan 0.000 0.454 253 H N -0.943 118.154 119.070 0.044 0.000 2.321 253 H HA -0.121 4.436 4.556 0.001 0.000 0.300 253 H C 2.040 177.417 175.328 0.081 0.000 1.087 253 H CA 1.835 57.922 56.048 0.064 0.000 1.319 253 H CB -0.328 29.488 29.762 0.090 0.000 1.379 253 H HN 0.206 nan 8.280 nan 0.000 0.501 254 H N 0.977 120.122 119.070 0.125 0.000 2.265 254 H HA -0.171 4.386 4.556 0.001 0.000 0.295 254 H C 2.357 177.700 175.328 0.026 0.000 1.084 254 H CA 2.328 58.411 56.048 0.058 0.000 1.261 254 H CB -0.129 29.658 29.762 0.042 0.000 1.360 254 H HN 0.574 nan 8.280 nan 0.000 0.487 255 Q N -1.137 118.684 119.800 0.035 0.000 2.226 255 Q HA -0.099 4.242 4.340 0.001 0.000 0.204 255 Q C 1.859 177.817 176.000 -0.069 0.000 0.975 255 Q CA 1.787 57.564 55.803 -0.043 0.000 0.866 255 Q CB -0.232 28.515 28.738 0.016 0.000 0.915 255 Q HN 0.317 nan 8.270 nan 0.000 0.440 256 S N 0.001 115.669 115.700 -0.053 0.000 2.568 256 S HA 0.206 4.676 4.470 0.001 0.000 0.232 256 S C 0.107 174.664 174.600 -0.072 0.000 0.975 256 S CA -0.679 57.480 58.200 -0.067 0.000 0.949 256 S CB 0.011 63.164 63.200 -0.079 0.000 0.829 256 S HN 0.373 nan 8.310 nan 0.000 0.479 257 L N 2.596 123.777 121.223 -0.071 0.000 2.461 257 L HA 0.471 4.811 4.340 0.001 0.000 0.272 257 L C -0.469 176.372 176.870 -0.048 0.000 1.197 257 L CA 0.601 55.413 54.840 -0.046 0.000 0.836 257 L CB 0.849 42.886 42.059 -0.036 0.000 1.105 257 L HN 0.024 nan 8.230 nan 0.000 0.477 258 D N 5.735 126.121 120.400 -0.023 0.000 2.389 258 D HA 0.363 5.004 4.640 0.001 0.000 0.256 258 D C -2.009 174.291 176.300 -0.001 0.000 1.239 258 D CA -1.943 52.046 54.000 -0.018 0.000 0.925 258 D CB 1.629 42.419 40.800 -0.017 0.000 1.145 258 D HN 0.335 nan 8.370 nan 0.000 0.542 259 P HA -0.100 nan 4.420 nan 0.000 0.222 259 P C 0.181 177.488 177.300 0.012 0.000 1.142 259 P CA 0.726 63.829 63.100 0.005 0.000 0.788 259 P CB 0.373 32.068 31.700 -0.009 0.000 0.767 260 N N -1.197 117.507 118.700 0.006 0.000 2.273 260 N HA 0.095 4.836 4.740 0.001 0.000 0.231 260 N C -0.114 175.402 175.510 0.009 0.000 1.134 260 N CA 0.023 53.078 53.050 0.007 0.000 0.856 260 N CB 0.021 38.509 38.487 0.001 0.000 1.068 260 N HN 0.099 nan 8.380 nan 0.000 0.510 261 C N 1.462 120.772 119.300 0.017 0.000 2.808 261 C HA 0.213 4.673 4.460 0.001 0.000 0.236 261 C C -2.896 172.118 174.990 0.040 0.000 1.021 261 C CA -1.146 57.885 59.018 0.021 0.000 0.966 261 C CB -0.669 27.076 27.740 0.009 0.000 1.763 261 C HN 0.051 nan 8.230 nan 0.000 0.687 262 P HA 0.338 nan 4.420 nan 0.000 0.276 262 P C 0.444 177.827 177.300 0.139 0.000 1.253 262 P CA 0.192 63.357 63.100 0.108 0.000 0.766 262 P CB 0.532 32.314 31.700 0.137 0.000 0.845 263 R N 1.828 122.406 120.500 0.130 0.000 2.236 263 R HA 0.074 4.415 4.340 0.001 0.000 0.208 263 R C 0.053 176.474 176.300 0.202 0.000 1.036 263 R CA 0.787 56.968 56.100 0.136 0.000 1.001 263 R CB -0.274 30.067 30.300 0.068 0.000 0.896 263 R HN 0.649 nan 8.270 nan 0.000 0.464 264 D N -3.291 117.235 120.400 0.210 0.000 2.804 264 D HA -0.059 4.582 4.640 0.001 0.000 0.309 264 D C 0.115 176.377 176.300 -0.064 0.000 1.311 264 D CA -0.786 53.208 54.000 -0.010 0.000 0.765 264 D CB 0.063 40.841 40.800 -0.037 0.000 1.293 264 D HN -0.156 nan 8.370 nan 0.000 0.434 265 L N -0.352 120.642 121.223 -0.381 0.000 2.081 265 L HA -0.174 4.166 4.340 0.001 0.000 0.212 265 L C 1.708 178.544 176.870 -0.057 0.000 1.080 265 L CA 2.303 57.029 54.840 -0.191 0.000 0.754 265 L CB -0.480 41.405 42.059 -0.289 0.000 0.893 265 L HN 0.668 nan 8.230 nan 0.000 0.433 266 T N -1.064 113.413 114.554 -0.127 0.000 2.788 266 T HA -0.185 4.166 4.350 0.001 0.000 0.268 266 T C 1.422 176.144 174.700 0.037 0.000 1.044 266 T CA 1.415 63.441 62.100 -0.123 0.000 1.139 266 T CB -0.325 68.305 68.868 -0.398 0.000 0.867 266 T HN 0.376 nan 8.240 nan 0.000 0.454 267 D N 0.524 121.030 120.400 0.175 0.000 2.117 267 D HA -0.061 4.580 4.640 0.001 0.000 0.197 267 D C 2.314 178.696 176.300 0.137 0.000 0.987 267 D CA 0.602 54.725 54.000 0.204 0.000 0.829 267 D CB -0.554 40.373 40.800 0.211 0.000 0.961 267 D HN 0.351 nan 8.370 nan 0.000 0.460 268 C N 0.190 119.588 119.300 0.164 0.000 2.413 268 C HA -0.107 4.354 4.460 0.001 0.000 0.276 268 C C 2.835 177.937 174.990 0.186 0.000 1.248 268 C CA 0.375 59.537 59.018 0.239 0.000 1.742 268 C CB -1.119 26.813 27.740 0.319 0.000 2.017 268 C HN 0.371 nan 8.230 nan 0.000 0.481 269 L N -0.039 121.245 121.223 0.103 0.000 2.141 269 L HA -0.113 4.227 4.340 0.001 0.000 0.209 269 L C 2.468 179.130 176.870 -0.348 0.000 1.094 269 L CA 1.100 55.818 54.840 -0.203 0.000 0.763 269 L CB -0.591 41.430 42.059 -0.064 0.000 0.908 269 L HN 0.378 nan 8.230 nan 0.000 0.437 270 L N -0.949 120.204 121.223 -0.116 0.000 2.072 270 L HA -0.147 4.193 4.340 0.001 0.000 0.205 270 L C 2.541 179.369 176.870 -0.070 0.000 1.079 270 L CA 0.667 55.474 54.840 -0.056 0.000 0.752 270 L CB -0.402 41.710 42.059 0.088 0.000 0.906 270 L HN 0.052 nan 8.230 nan 0.000 0.436 271 V N -0.282 119.600 119.914 -0.054 0.000 2.332 271 V HA -0.282 3.838 4.120 0.001 0.000 0.248 271 V C 2.403 178.410 176.094 -0.145 0.000 1.055 271 V CA 1.868 64.135 62.300 -0.054 0.000 1.038 271 V CB -0.456 31.370 31.823 0.006 0.000 0.651 271 V HN 0.389 nan 8.190 nan 0.000 0.450 272 E N -0.508 119.509 120.200 -0.304 0.000 2.268 272 E HA -0.164 4.187 4.350 0.001 0.000 0.195 272 E C 2.001 178.338 176.600 -0.437 0.000 0.995 272 E CA 1.067 57.167 56.400 -0.500 0.000 0.836 272 E CB -0.190 28.865 29.700 -1.075 0.000 0.763 272 E HN 0.555 nan 8.360 nan 0.000 0.491 273 M N -0.713 118.656 119.600 -0.385 0.000 2.435 273 M HA -0.001 4.479 4.480 0.001 0.000 0.265 273 M C 1.280 177.535 176.300 -0.074 0.000 1.104 273 M CA 0.925 56.121 55.300 -0.174 0.000 1.140 273 M CB 0.330 32.846 32.600 -0.140 0.000 1.372 273 M HN -0.090 nan 8.290 nan 0.000 0.456 274 E N 0.578 120.734 120.200 -0.074 0.000 2.358 274 E HA -0.072 4.278 4.350 0.001 0.000 0.195 274 E C 1.626 178.164 176.600 -0.103 0.000 1.010 274 E CA 0.908 57.280 56.400 -0.047 0.000 0.856 274 E CB 0.202 29.889 29.700 -0.021 0.000 0.795 274 E HN 0.371 nan 8.360 nan 0.000 0.504 275 K N 0.157 120.491 120.400 -0.111 0.000 2.167 275 K HA -0.071 4.250 4.320 0.001 0.000 0.203 275 K C 1.052 177.559 176.600 -0.155 0.000 1.052 275 K CA 1.312 57.522 56.287 -0.128 0.000 0.956 275 K CB 0.165 32.622 32.500 -0.072 0.000 0.735 275 K HN 0.284 nan 8.250 nan 0.000 0.451 276 E N 0.929 121.091 120.200 -0.062 0.000 2.499 276 E HA 0.010 4.361 4.350 0.001 0.000 0.199 276 E C 0.927 177.564 176.600 0.062 0.000 1.016 276 E CA -0.155 56.275 56.400 0.048 0.000 0.933 276 E CB 0.172 29.927 29.700 0.092 0.000 1.050 276 E HN 0.187 nan 8.360 nan 0.000 0.462 277 K N 1.347 121.714 120.400 -0.056 0.000 2.360 277 K HA -0.201 4.119 4.320 0.001 0.000 0.201 277 K C 1.149 177.803 176.600 0.090 0.000 1.046 277 K CA 1.585 57.872 56.287 -0.001 0.000 0.940 277 K CB -0.460 32.020 32.500 -0.034 0.000 0.748 277 K HN 0.339 nan 8.250 nan 0.000 0.465 278 H N -0.791 118.291 119.070 0.019 0.000 2.542 278 H HA 0.383 4.941 4.556 0.003 0.000 0.283 278 H C -0.477 174.860 175.328 0.015 0.000 1.059 278 H CA -1.114 54.944 56.048 0.016 0.000 1.162 278 H CB -0.231 29.539 29.762 0.014 0.000 1.539 278 H HN -0.057 nan 8.280 nan 0.000 0.543 279 S N -0.110 115.762 115.700 0.286 0.000 2.632 279 S HA 0.566 5.036 4.470 0.001 0.000 0.271 279 S C 1.368 176.004 174.600 0.061 0.000 1.260 279 S CA -0.117 58.150 58.200 0.112 0.000 1.010 279 S CB 1.634 64.907 63.200 0.122 0.000 0.965 279 S HN 0.578 nan 8.310 nan 0.000 0.534 280 A N 1.160 123.995 122.820 0.025 0.000 1.930 280 A HA 0.026 4.346 4.320 0.001 0.000 0.215 280 A C 0.851 178.449 177.584 0.024 0.000 1.176 280 A CA 0.667 52.716 52.037 0.020 0.000 0.632 280 A CB -0.180 18.824 19.000 0.006 0.000 0.819 280 A HN 0.770 nan 8.150 nan 0.000 0.445 281 E N 1.108 121.322 120.200 0.024 0.000 2.073 281 E HA 0.464 4.814 4.350 0.001 0.000 0.269 281 E C -1.124 175.493 176.600 0.028 0.000 0.917 281 E CA -0.489 55.923 56.400 0.020 0.000 0.757 281 E CB 0.608 30.315 29.700 0.012 0.000 1.111 281 E HN 0.392 nan 8.360 nan 0.000 0.410 282 R N 2.332 122.848 120.500 0.026 0.000 2.589 282 R HA 0.388 4.729 4.340 0.001 0.000 0.293 282 R C 0.861 177.155 176.300 -0.010 0.000 0.963 282 R CA -0.557 55.562 56.100 0.032 0.000 0.905 282 R CB 1.182 31.514 30.300 0.053 0.000 1.144 282 R HN 0.488 nan 8.270 nan 0.000 0.459 283 L N -0.969 120.216 121.223 -0.063 0.000 2.470 283 L HA 0.361 4.702 4.340 0.001 0.000 0.219 283 L C -0.049 176.672 176.870 -0.249 0.000 1.071 283 L CA 0.221 54.951 54.840 -0.184 0.000 0.850 283 L CB -0.121 41.764 42.059 -0.291 0.000 1.040 283 L HN 0.359 nan 8.230 nan 0.000 0.475 284 Y N 2.526 122.807 120.300 -0.031 0.000 2.365 284 Y HA 0.502 5.053 4.550 0.001 0.000 0.340 284 Y C 0.958 176.843 175.900 -0.026 0.000 1.016 284 Y CA -0.541 57.537 58.100 -0.036 0.000 1.196 284 Y CB 0.530 38.948 38.460 -0.070 0.000 1.167 284 Y HN 0.135 nan 8.280 nan 0.000 0.509 285 T N -0.448 114.180 114.554 0.124 0.000 2.940 285 T HA 0.293 4.644 4.350 0.001 0.000 0.288 285 T C 1.096 175.830 174.700 0.057 0.000 1.045 285 T CA -1.036 61.105 62.100 0.069 0.000 1.018 285 T CB 1.137 70.029 68.868 0.039 0.000 1.151 285 T HN 0.493 nan 8.240 nan 0.000 0.529 286 M N 0.726 120.329 119.600 0.005 0.000 2.202 286 M HA -0.057 4.424 4.480 0.001 0.000 0.262 286 M C 1.675 177.983 176.300 0.013 0.000 1.063 286 M CA 1.607 56.895 55.300 -0.019 0.000 1.097 286 M CB -1.464 31.097 32.600 -0.064 0.000 1.382 286 M HN 0.852 nan 8.290 nan 0.000 0.413 287 D N -0.030 120.383 120.400 0.022 0.000 2.084 287 D HA -0.076 4.565 4.640 0.001 0.000 0.196 287 D C 2.009 178.332 176.300 0.038 0.000 0.985 287 D CA 1.724 55.740 54.000 0.028 0.000 0.826 287 D CB -0.377 40.441 40.800 0.028 0.000 0.978 287 D HN 0.343 nan 8.370 nan 0.000 0.456 288 G N 0.063 108.895 108.800 0.053 0.000 2.479 288 G HA2 -0.192 3.769 3.960 0.001 0.000 0.220 288 G HA3 -0.192 3.769 3.960 0.001 0.000 0.220 288 G C 1.721 176.682 174.900 0.102 0.000 1.115 288 G CA 0.677 45.818 45.100 0.068 0.000 0.757 288 G HN 0.386 nan 8.290 nan 0.000 0.560 289 I N 0.713 121.350 120.570 0.112 0.000 2.703 289 I HA -0.038 4.133 4.170 0.001 0.000 0.259 289 I C 3.053 179.231 176.117 0.101 0.000 1.151 289 I CA 1.402 62.779 61.300 0.128 0.000 1.470 289 I CB -0.102 37.956 38.000 0.097 0.000 1.112 289 I HN 0.270 nan 8.210 nan 0.000 0.437 290 T N -0.986 113.616 114.554 0.081 0.000 2.942 290 T HA -0.035 4.316 4.350 0.001 0.000 0.265 290 T C 1.889 176.643 174.700 0.091 0.000 1.062 290 T CA 0.865 63.025 62.100 0.101 0.000 1.139 290 T CB -0.433 68.490 68.868 0.091 0.000 0.883 290 T HN 0.075 nan 8.240 nan 0.000 0.468 291 V N 1.960 121.881 119.914 0.013 0.000 2.343 291 V HA -0.163 3.958 4.120 0.001 0.000 0.247 291 V C 3.046 179.202 176.094 0.104 0.000 1.051 291 V CA 2.392 64.639 62.300 -0.089 0.000 1.036 291 V CB -1.254 30.503 31.823 -0.111 0.000 0.654 291 V HN 0.592 nan 8.190 nan 0.000 0.451 292 T N -0.151 114.483 114.554 0.134 0.000 2.674 292 T HA -0.167 4.184 4.350 0.001 0.000 0.265 292 T C 1.932 176.738 174.700 0.177 0.000 1.039 292 T CA 1.775 63.977 62.100 0.171 0.000 1.150 292 T CB -0.250 68.724 68.868 0.175 0.000 0.864 292 T HN 0.271 nan 8.240 nan 0.000 0.427 293 V N 1.566 121.573 119.914 0.154 0.000 2.358 293 V HA -0.106 4.014 4.120 0.001 0.000 0.246 293 V C 2.847 179.107 176.094 0.276 0.000 1.047 293 V CA 1.576 63.954 62.300 0.129 0.000 1.035 293 V CB -1.108 30.755 31.823 0.068 0.000 0.658 293 V HN 0.524 nan 8.190 nan 0.000 0.452 294 A N -0.346 122.695 122.820 0.368 0.000 1.972 294 A HA -0.233 4.087 4.320 0.001 0.000 0.219 294 A C 1.954 179.878 177.584 0.567 0.000 1.169 294 A CA 1.864 54.226 52.037 0.542 0.000 0.635 294 A CB -0.555 18.747 19.000 0.502 0.000 0.810 294 A HN 0.521 nan 8.150 nan 0.000 0.446 295 D N 0.113 120.810 120.400 0.495 0.000 2.104 295 D HA -0.130 4.510 4.640 0.001 0.000 0.194 295 D C 1.852 178.326 176.300 0.290 0.000 0.994 295 D CA 1.223 55.483 54.000 0.433 0.000 0.830 295 D CB -0.280 40.728 40.800 0.347 0.000 0.959 295 D HN 0.452 nan 8.370 nan 0.000 0.452 296 L N -0.433 120.935 121.223 0.241 0.000 2.240 296 L HA -0.075 4.266 4.340 0.001 0.000 0.211 296 L C 2.214 179.221 176.870 0.230 0.000 1.106 296 L CA 0.164 55.102 54.840 0.164 0.000 0.793 296 L CB -0.169 41.946 42.059 0.093 0.000 0.927 296 L HN -0.030 nan 8.230 nan 0.000 0.446 297 F N 0.400 120.420 119.950 0.116 0.000 2.051 297 F HA -0.269 4.259 4.527 0.001 0.000 0.296 297 F C 2.389 178.122 175.800 -0.112 0.000 1.122 297 F CA 1.177 59.271 58.000 0.158 0.000 1.201 297 F CB -0.739 38.505 39.000 0.407 0.000 0.978 297 F HN 0.013 nan 8.300 nan 0.000 0.472 298 F N 1.030 120.721 119.950 -0.431 0.000 2.026 298 F HA -0.162 4.366 4.527 0.001 0.000 0.296 298 F C 2.442 177.926 175.800 -0.527 0.000 1.133 298 F CA 1.976 59.369 58.000 -1.011 0.000 1.188 298 F CB -1.302 37.449 39.000 -0.415 0.000 0.968 298 F HN -0.008 nan 8.300 nan 0.000 0.476 299 A N 0.044 122.686 122.820 -0.298 0.000 1.933 299 A HA -0.019 4.302 4.320 0.001 0.000 0.218 299 A C 2.503 179.977 177.584 -0.183 0.000 1.175 299 A CA 1.596 53.434 52.037 -0.330 0.000 0.628 299 A CB -1.758 17.143 19.000 -0.165 0.000 0.814 299 A HN 0.543 nan 8.150 nan 0.000 0.444 300 G N -1.335 107.429 108.800 -0.060 0.000 2.432 300 G HA2 -0.101 3.860 3.960 0.001 0.000 0.219 300 G HA3 -0.101 3.860 3.960 0.001 0.000 0.219 300 G C 1.489 176.395 174.900 0.010 0.000 1.135 300 G CA 1.702 46.817 45.100 0.025 0.000 0.767 300 G HN 0.464 nan 8.290 nan 0.000 0.550 301 T N -0.160 114.352 114.554 -0.070 0.000 2.953 301 T HA 0.072 4.422 4.350 0.001 0.000 0.247 301 T C 2.155 176.779 174.700 -0.127 0.000 1.029 301 T CA 1.122 63.195 62.100 -0.044 0.000 1.144 301 T CB 0.087 68.948 68.868 -0.011 0.000 0.870 301 T HN 0.252 nan 8.240 nan 0.000 0.446 302 E N 1.451 121.476 120.200 -0.291 0.000 2.076 302 E HA -0.069 4.281 4.350 0.001 0.000 0.190 302 E C 2.357 178.647 176.600 -0.517 0.000 0.979 302 E CA 1.571 57.742 56.400 -0.382 0.000 0.807 302 E CB -0.441 28.955 29.700 -0.506 0.000 0.761 302 E HN 0.583 nan 8.360 nan 0.000 0.454 303 T N -2.396 111.868 114.554 -0.484 0.000 2.857 303 T HA -0.049 4.302 4.350 0.001 0.000 0.266 303 T C 1.948 176.547 174.700 -0.169 0.000 1.048 303 T CA 1.438 63.308 62.100 -0.383 0.000 1.139 303 T CB -0.721 67.986 68.868 -0.269 0.000 0.874 303 T HN 0.022 nan 8.240 nan 0.000 0.455 304 T N 2.164 116.662 114.554 -0.094 0.000 2.674 304 T HA -0.123 4.228 4.350 0.001 0.000 0.265 304 T C 2.296 176.996 174.700 -0.000 0.000 1.039 304 T CA 1.540 63.639 62.100 -0.002 0.000 1.150 304 T CB -0.785 68.111 68.868 0.047 0.000 0.864 304 T HN 0.493 nan 8.240 nan 0.000 0.427 305 S N 0.881 116.563 115.700 -0.030 0.000 2.369 305 S HA -0.243 4.228 4.470 0.001 0.000 0.225 305 S C 2.199 176.785 174.600 -0.023 0.000 1.043 305 S CA 2.403 60.587 58.200 -0.026 0.000 1.074 305 S CB -1.065 62.102 63.200 -0.056 0.000 0.962 305 S HN 0.606 nan 8.310 nan 0.000 0.433 306 T N 1.181 115.698 114.554 -0.063 0.000 2.720 306 T HA -0.096 4.254 4.350 0.001 0.000 0.268 306 T C 1.985 176.761 174.700 0.127 0.000 1.037 306 T CA 1.929 64.037 62.100 0.013 0.000 1.144 306 T CB -1.153 67.709 68.868 -0.009 0.000 0.864 306 T HN 0.560 nan 8.240 nan 0.000 0.444 307 T N 2.472 117.080 114.554 0.090 0.000 2.684 307 T HA -0.006 4.345 4.350 0.001 0.000 0.267 307 T C 2.005 176.796 174.700 0.151 0.000 1.036 307 T CA 0.991 63.168 62.100 0.127 0.000 1.148 307 T CB -0.537 68.369 68.868 0.064 0.000 0.863 307 T HN 0.240 nan 8.240 nan 0.000 0.436 308 L N 0.411 121.702 121.223 0.114 0.000 2.017 308 L HA -0.084 4.257 4.340 0.001 0.000 0.208 308 L C 2.883 179.833 176.870 0.133 0.000 1.073 308 L CA 1.477 56.385 54.840 0.115 0.000 0.745 308 L CB -0.462 41.655 42.059 0.096 0.000 0.894 308 L HN 0.175 nan 8.230 nan 0.000 0.432 309 R N -0.851 119.724 120.500 0.125 0.000 2.075 309 R HA -0.211 4.130 4.340 0.001 0.000 0.232 309 R C 2.399 178.839 176.300 0.234 0.000 1.126 309 R CA 1.459 57.644 56.100 0.143 0.000 0.963 309 R CB -0.489 29.831 30.300 0.033 0.000 0.858 309 R HN 0.290 nan 8.270 nan 0.000 0.435 310 Y N 0.260 120.629 120.300 0.115 0.000 2.128 310 Y HA -0.180 4.370 4.550 0.001 0.000 0.284 310 Y C 2.362 178.277 175.900 0.025 0.000 1.154 310 Y CA 1.207 59.359 58.100 0.087 0.000 1.149 310 Y CB -0.317 38.202 38.460 0.099 0.000 0.976 310 Y HN 0.335 nan 8.280 nan 0.000 0.505 311 G N -0.158 108.781 108.800 0.232 0.000 2.440 311 G HA2 -0.286 3.675 3.960 0.001 0.000 0.218 311 G HA3 -0.286 3.675 3.960 0.001 0.000 0.218 311 G C 1.379 176.303 174.900 0.040 0.000 1.154 311 G CA 1.119 46.276 45.100 0.094 0.000 0.767 311 G HN 0.244 nan 8.290 nan 0.000 0.552 312 L N -0.119 121.152 121.223 0.080 0.000 2.093 312 L HA 0.083 4.423 4.340 0.001 0.000 0.208 312 L C 2.641 179.480 176.870 -0.052 0.000 1.085 312 L CA 0.968 55.840 54.840 0.054 0.000 0.755 312 L CB -0.936 41.198 42.059 0.125 0.000 0.904 312 L HN 0.242 nan 8.230 nan 0.000 0.435 313 L N -0.951 120.189 121.223 -0.137 0.000 2.093 313 L HA -0.150 4.191 4.340 0.001 0.000 0.208 313 L C 2.274 178.997 176.870 -0.245 0.000 1.085 313 L CA 1.584 56.183 54.840 -0.402 0.000 0.755 313 L CB -0.295 41.387 42.059 -0.628 0.000 0.904 313 L HN 0.175 nan 8.230 nan 0.000 0.435 314 I N -1.297 119.176 120.570 -0.162 0.000 2.233 314 I HA -0.292 3.878 4.170 0.001 0.000 0.243 314 I C 2.290 178.269 176.117 -0.230 0.000 1.093 314 I CA 1.067 62.203 61.300 -0.274 0.000 1.380 314 I CB -0.299 37.385 38.000 -0.527 0.000 1.067 314 I HN 0.201 nan 8.210 nan 0.000 0.413 315 L N -0.183 120.948 121.223 -0.153 0.000 2.079 315 L HA -0.254 4.087 4.340 0.001 0.000 0.210 315 L C 2.609 179.460 176.870 -0.032 0.000 1.081 315 L CA 1.537 56.352 54.840 -0.041 0.000 0.752 315 L CB -0.492 41.566 42.059 -0.001 0.000 0.896 315 L HN 0.329 nan 8.230 nan 0.000 0.433 316 M N -0.601 118.944 119.600 -0.092 0.000 2.296 316 M HA -0.196 4.285 4.480 0.001 0.000 0.265 316 M C 2.254 178.451 176.300 -0.172 0.000 1.064 316 M CA 1.375 56.613 55.300 -0.103 0.000 1.109 316 M CB -0.256 32.266 32.600 -0.131 0.000 1.396 316 M HN 0.144 nan 8.290 nan 0.000 0.430 317 K N 0.185 120.409 120.400 -0.293 0.000 2.155 317 K HA -0.115 4.205 4.320 0.001 0.000 0.203 317 K C -0.453 175.759 176.600 -0.647 0.000 1.052 317 K CA 1.004 56.968 56.287 -0.538 0.000 0.948 317 K CB 0.307 32.326 32.500 -0.801 0.000 0.728 317 K HN 0.205 nan 8.250 nan 0.000 0.448 318 Y N 0.037 120.310 120.300 -0.045 0.000 2.863 318 Y HA 0.285 4.835 4.550 0.001 0.000 0.348 318 Y C -2.151 173.769 175.900 0.034 0.000 1.028 318 Y CA -2.771 55.334 58.100 0.008 0.000 1.213 318 Y CB 1.406 39.892 38.460 0.043 0.000 1.120 318 Y HN 0.082 nan 8.280 nan 0.000 0.598 319 P HA -0.198 nan 4.420 nan 0.000 0.216 319 P C 1.548 178.926 177.300 0.131 0.000 1.150 319 P CA 1.353 64.515 63.100 0.103 0.000 0.837 319 P CB 0.584 32.325 31.700 0.067 0.000 0.786 320 E N -0.038 120.247 120.200 0.141 0.000 2.106 320 E HA -0.141 4.210 4.350 0.001 0.000 0.192 320 E C 1.859 178.546 176.600 0.145 0.000 0.984 320 E CA 1.063 57.536 56.400 0.122 0.000 0.806 320 E CB -1.086 28.674 29.700 0.101 0.000 0.750 320 E HN 0.157 nan 8.360 nan 0.000 0.458 321 I N 0.586 121.283 120.570 0.211 0.000 2.315 321 I HA -0.207 3.964 4.170 0.001 0.000 0.248 321 I C 2.566 178.835 176.117 0.253 0.000 1.117 321 I CA 1.435 62.911 61.300 0.294 0.000 1.404 321 I CB -0.328 37.870 38.000 0.331 0.000 1.071 321 I HN 0.262 nan 8.210 nan 0.000 0.419 322 E N 0.857 121.155 120.200 0.163 0.000 2.106 322 E HA -0.257 4.094 4.350 0.001 0.000 0.192 322 E C 2.080 178.700 176.600 0.032 0.000 0.984 322 E CA 1.041 57.476 56.400 0.058 0.000 0.806 322 E CB 0.148 29.891 29.700 0.071 0.000 0.750 322 E HN 0.275 nan 8.360 nan 0.000 0.458 323 E N 1.247 121.537 120.200 0.150 0.000 2.031 323 E HA -0.177 4.173 4.350 0.001 0.000 0.193 323 E C 1.921 178.585 176.600 0.106 0.000 0.994 323 E CA 1.252 57.764 56.400 0.187 0.000 0.800 323 E CB -0.079 29.699 29.700 0.130 0.000 0.752 323 E HN 0.182 nan 8.360 nan 0.000 0.447 324 K N 0.078 120.500 120.400 0.037 0.000 2.059 324 K HA -0.190 4.130 4.320 0.001 0.000 0.212 324 K C 2.096 178.701 176.600 0.008 0.000 1.050 324 K CA 1.259 57.487 56.287 -0.098 0.000 0.927 324 K CB -0.258 31.995 32.500 -0.411 0.000 0.714 324 K HN 0.049 nan 8.250 nan 0.000 0.447 325 L N 1.029 122.333 121.223 0.135 0.000 2.012 325 L HA -0.218 4.122 4.340 0.001 0.000 0.210 325 L C 2.332 179.210 176.870 0.014 0.000 1.073 325 L CA 1.902 56.808 54.840 0.111 0.000 0.748 325 L CB -1.144 40.926 42.059 0.019 0.000 0.891 325 L HN 0.346 nan 8.230 nan 0.000 0.431 326 H N -0.637 118.485 119.070 0.086 0.000 2.321 326 H HA -0.179 4.378 4.556 0.001 0.000 0.300 326 H C 2.118 177.463 175.328 0.029 0.000 1.087 326 H CA 1.612 57.689 56.048 0.049 0.000 1.319 326 H CB -0.198 29.589 29.762 0.041 0.000 1.379 326 H HN 0.405 nan 8.280 nan 0.000 0.501 327 E N 1.473 121.758 120.200 0.141 0.000 2.114 327 E HA -0.231 4.120 4.350 0.001 0.000 0.199 327 E C 2.154 178.786 176.600 0.054 0.000 1.008 327 E CA 2.051 58.491 56.400 0.067 0.000 0.810 327 E CB -0.281 29.433 29.700 0.022 0.000 0.739 327 E HN 0.607 nan 8.360 nan 0.000 0.456 328 E N -0.261 119.976 120.200 0.062 0.000 2.047 328 E HA -0.129 4.222 4.350 0.001 0.000 0.191 328 E C 2.215 178.859 176.600 0.073 0.000 0.987 328 E CA 1.309 57.752 56.400 0.072 0.000 0.799 328 E CB -0.189 29.578 29.700 0.112 0.000 0.752 328 E HN 0.451 nan 8.360 nan 0.000 0.449 329 I N 1.528 122.143 120.570 0.075 0.000 2.127 329 I HA -0.284 3.887 4.170 0.001 0.000 0.241 329 I C 1.914 178.055 176.117 0.039 0.000 1.075 329 I CA 1.376 62.709 61.300 0.056 0.000 1.334 329 I CB -0.261 37.772 38.000 0.055 0.000 1.040 329 I HN 0.090 nan 8.210 nan 0.000 0.405 330 D N 0.178 120.604 120.400 0.042 0.000 2.228 330 D HA -0.197 4.443 4.640 0.001 0.000 0.203 330 D C 2.222 178.533 176.300 0.018 0.000 0.988 330 D CA 1.062 55.073 54.000 0.018 0.000 0.864 330 D CB -0.190 40.622 40.800 0.020 0.000 0.928 330 D HN 0.264 nan 8.370 nan 0.000 0.469 331 R N -0.240 120.277 120.500 0.029 0.000 2.090 331 R HA 0.036 4.377 4.340 0.001 0.000 0.219 331 R C 1.862 178.181 176.300 0.032 0.000 1.100 331 R CA 0.475 56.591 56.100 0.027 0.000 0.991 331 R CB 0.276 30.594 30.300 0.029 0.000 0.893 331 R HN 0.029 nan 8.270 nan 0.000 0.443 332 V N 0.279 120.219 119.914 0.043 0.000 2.492 332 V HA -0.034 4.087 4.120 0.001 0.000 0.241 332 V C 1.944 178.066 176.094 0.046 0.000 1.041 332 V CA 1.222 63.552 62.300 0.051 0.000 1.057 332 V CB 0.022 31.889 31.823 0.073 0.000 0.711 332 V HN 0.228 nan 8.190 nan 0.000 0.468 333 I N -0.336 120.259 120.570 0.042 0.000 3.265 333 I HA 0.441 4.611 4.170 0.001 0.000 0.282 333 I C 1.333 177.458 176.117 0.013 0.000 1.207 333 I CA 0.793 62.113 61.300 0.033 0.000 1.449 333 I CB -0.322 37.697 38.000 0.033 0.000 1.121 333 I HN 0.433 nan 8.210 nan 0.000 0.442 334 G N 2.140 110.943 108.800 0.006 0.000 2.877 334 G HA2 -0.203 3.757 3.960 0.001 0.000 0.279 334 G HA3 -0.203 3.757 3.960 0.001 0.000 0.279 334 G C -2.264 172.609 174.900 -0.045 0.000 1.431 334 G CA -0.408 44.685 45.100 -0.012 0.000 0.883 334 G HN 0.096 nan 8.290 nan 0.000 0.547 335 P HA 0.095 nan 4.420 nan 0.000 0.242 335 P C 1.311 178.514 177.300 -0.162 0.000 1.197 335 P CA 1.954 64.974 63.100 -0.133 0.000 0.765 335 P CB 0.121 31.759 31.700 -0.104 0.000 0.936 336 S N -3.559 112.099 115.700 -0.071 0.000 2.784 336 S HA 0.141 4.612 4.470 0.001 0.000 0.266 336 S C 1.006 175.634 174.600 0.048 0.000 1.079 336 S CA -0.413 57.785 58.200 -0.003 0.000 0.989 336 S CB -0.205 63.005 63.200 0.016 0.000 0.926 336 S HN -0.126 nan 8.310 nan 0.000 0.497 337 R N 1.626 122.144 120.500 0.030 0.000 2.537 337 R HA 0.272 4.612 4.340 0.001 0.000 0.280 337 R C -0.784 175.555 176.300 0.066 0.000 1.058 337 R CA -0.261 55.866 56.100 0.044 0.000 1.057 337 R CB 0.056 30.376 30.300 0.034 0.000 0.973 337 R HN 0.356 nan 8.270 nan 0.000 0.438 338 I N 7.146 127.761 120.570 0.073 0.000 2.683 338 I HA 0.019 4.190 4.170 0.001 0.000 0.286 338 I C -1.778 174.383 176.117 0.075 0.000 1.175 338 I CA -1.212 60.138 61.300 0.083 0.000 1.429 338 I CB 0.083 38.124 38.000 0.068 0.000 1.371 338 I HN 0.446 nan 8.210 nan 0.000 0.569 339 P HA 0.318 nan 4.420 nan 0.000 0.269 339 P C -0.935 176.433 177.300 0.113 0.000 1.215 339 P CA -0.209 62.930 63.100 0.066 0.000 0.780 339 P CB 0.783 32.477 31.700 -0.010 0.000 0.898 340 A N 1.491 124.415 122.820 0.173 0.000 2.556 340 A HA 0.506 4.826 4.320 0.001 0.000 0.294 340 A C 0.747 178.500 177.584 0.282 0.000 1.091 340 A CA -0.676 51.473 52.037 0.187 0.000 0.704 340 A CB 0.486 19.556 19.000 0.117 0.000 1.300 340 A HN 0.500 nan 8.150 nan 0.000 0.406 341 I N -0.671 120.011 120.570 0.187 0.000 2.614 341 I HA -0.016 4.155 4.170 0.001 0.000 0.258 341 I C 1.582 177.677 176.117 -0.037 0.000 1.189 341 I CA 1.409 62.748 61.300 0.065 0.000 1.462 341 I CB -0.501 37.502 38.000 0.005 0.000 1.092 341 I HN 0.633 nan 8.210 nan 0.000 0.442 342 K N 1.168 121.582 120.400 0.022 0.000 2.147 342 K HA -0.140 4.180 4.320 0.001 0.000 0.205 342 K C 1.534 178.149 176.600 0.025 0.000 1.049 342 K CA 1.561 57.851 56.287 0.006 0.000 0.936 342 K CB -0.376 32.138 32.500 0.024 0.000 0.722 342 K HN 0.406 nan 8.250 nan 0.000 0.446 343 D N 0.519 120.982 120.400 0.106 0.000 2.265 343 D HA -0.179 4.462 4.640 0.001 0.000 0.208 343 D C 1.760 178.160 176.300 0.167 0.000 0.977 343 D CA 0.772 54.874 54.000 0.169 0.000 0.871 343 D CB -0.070 40.886 40.800 0.261 0.000 0.925 343 D HN 0.209 nan 8.370 nan 0.000 0.485 344 R N 1.004 121.494 120.500 -0.017 0.000 2.083 344 R HA -0.185 4.156 4.340 0.001 0.000 0.237 344 R C 2.365 178.591 176.300 -0.124 0.000 1.137 344 R CA 1.630 57.569 56.100 -0.268 0.000 0.951 344 R CB -0.085 29.729 30.300 -0.811 0.000 0.851 344 R HN 0.326 nan 8.270 nan 0.000 0.434 345 Q N 0.152 119.891 119.800 -0.102 0.000 2.226 345 Q HA -0.163 4.178 4.340 0.001 0.000 0.204 345 Q C 0.805 176.808 176.000 0.005 0.000 0.975 345 Q CA 1.608 57.377 55.803 -0.057 0.000 0.866 345 Q CB -0.068 28.643 28.738 -0.046 0.000 0.915 345 Q HN 0.484 nan 8.270 nan 0.000 0.440 346 E N 0.285 120.505 120.200 0.033 0.000 2.474 346 E HA 0.111 4.461 4.350 0.001 0.000 0.195 346 E C 0.349 177.002 176.600 0.089 0.000 1.039 346 E CA 0.086 56.521 56.400 0.058 0.000 0.881 346 E CB 0.205 29.938 29.700 0.056 0.000 0.970 346 E HN 0.456 nan 8.360 nan 0.000 0.486 347 M N 2.614 122.279 119.600 0.107 0.000 2.808 347 M HA 0.189 4.670 4.480 0.001 0.000 0.225 347 M C -1.931 174.466 176.300 0.162 0.000 1.103 347 M CA -1.746 53.652 55.300 0.163 0.000 0.982 347 M CB 1.453 34.200 32.600 0.245 0.000 1.314 347 M HN -0.198 nan 8.290 nan 0.000 0.505 348 P HA -0.167 nan 4.420 nan 0.000 0.220 348 P C 1.083 178.540 177.300 0.261 0.000 1.152 348 P CA 1.274 64.499 63.100 0.207 0.000 0.812 348 P CB 0.109 31.929 31.700 0.201 0.000 0.792 349 Y N 0.497 120.874 120.300 0.128 0.000 2.220 349 Y HA -0.083 4.467 4.550 0.001 0.000 0.291 349 Y C 2.646 178.628 175.900 0.137 0.000 1.129 349 Y CA 1.471 59.639 58.100 0.115 0.000 1.161 349 Y CB -0.714 37.792 38.460 0.077 0.000 0.997 349 Y HN -0.219 nan 8.280 nan 0.000 0.522 350 M N 0.247 119.962 119.600 0.191 0.000 2.077 350 M HA -0.132 4.349 4.480 0.001 0.000 0.261 350 M C 1.863 178.268 176.300 0.176 0.000 1.070 350 M CA 2.156 57.550 55.300 0.156 0.000 1.125 350 M CB -0.833 31.899 32.600 0.220 0.000 1.339 350 M HN 0.175 nan 8.290 nan 0.000 0.409 351 D N -0.157 120.359 120.400 0.192 0.000 2.133 351 D HA -0.189 4.451 4.640 0.001 0.000 0.192 351 D C 1.839 178.261 176.300 0.203 0.000 1.001 351 D CA 2.069 56.120 54.000 0.084 0.000 0.844 351 D CB -0.269 40.387 40.800 -0.240 0.000 0.944 351 D HN 0.505 nan 8.370 nan 0.000 0.447 352 A N -0.330 122.621 122.820 0.218 0.000 1.930 352 A HA -0.071 4.250 4.320 0.001 0.000 0.217 352 A C 2.612 180.195 177.584 -0.002 0.000 1.175 352 A CA 1.365 53.508 52.037 0.178 0.000 0.627 352 A CB -0.629 18.427 19.000 0.092 0.000 0.815 352 A HN 0.205 nan 8.150 nan 0.000 0.443 353 V N -0.383 119.479 119.914 -0.088 0.000 2.358 353 V HA -0.208 3.913 4.120 0.001 0.000 0.246 353 V C 2.581 178.728 176.094 0.087 0.000 1.047 353 V CA 1.900 64.175 62.300 -0.042 0.000 1.035 353 V CB -0.564 31.218 31.823 -0.069 0.000 0.658 353 V HN 0.370 nan 8.190 nan 0.000 0.452 354 V N -0.371 119.599 119.914 0.094 0.000 2.295 354 V HA -0.297 3.824 4.120 0.001 0.000 0.246 354 V C 2.314 178.395 176.094 -0.022 0.000 1.049 354 V CA 2.333 64.685 62.300 0.086 0.000 1.024 354 V CB -0.841 31.065 31.823 0.138 0.000 0.648 354 V HN 0.617 nan 8.190 nan 0.000 0.447 355 H N -0.315 118.603 119.070 -0.253 0.000 2.357 355 H HA -0.133 4.424 4.556 0.001 0.000 0.301 355 H C 2.287 177.336 175.328 -0.465 0.000 1.082 355 H CA 1.762 57.415 56.048 -0.659 0.000 1.342 355 H CB -0.059 28.745 29.762 -1.596 0.000 1.389 355 H HN 0.417 nan 8.280 nan 0.000 0.511 356 E N 0.637 120.740 120.200 -0.162 0.000 2.150 356 E HA -0.078 4.273 4.350 0.001 0.000 0.193 356 E C 1.936 178.745 176.600 0.348 0.000 0.985 356 E CA 0.649 57.105 56.400 0.093 0.000 0.814 356 E CB -0.293 29.312 29.700 -0.158 0.000 0.752 356 E HN 0.464 nan 8.360 nan 0.000 0.466 357 I N 0.519 121.316 120.570 0.379 0.000 2.127 357 I HA -0.364 3.807 4.170 0.001 0.000 0.241 357 I C 2.455 178.715 176.117 0.240 0.000 1.075 357 I CA 1.634 63.148 61.300 0.357 0.000 1.334 357 I CB -0.326 37.799 38.000 0.208 0.000 1.040 357 I HN 0.216 nan 8.210 nan 0.000 0.405 358 Q N 0.050 119.957 119.800 0.178 0.000 2.050 358 Q HA -0.230 4.111 4.340 0.001 0.000 0.202 358 Q C 2.373 178.434 176.000 0.103 0.000 0.980 358 Q CA 1.261 57.127 55.803 0.105 0.000 0.840 358 Q CB -0.387 28.425 28.738 0.124 0.000 0.898 358 Q HN 0.379 nan 8.270 nan 0.000 0.424 359 R N 0.664 121.301 120.500 0.227 0.000 2.097 359 R HA -0.214 4.127 4.340 0.001 0.000 0.236 359 R C 2.162 178.594 176.300 0.221 0.000 1.135 359 R CA 1.808 58.023 56.100 0.193 0.000 0.934 359 R CB -0.656 29.784 30.300 0.233 0.000 0.846 359 R HN 0.295 nan 8.270 nan 0.000 0.431 360 F N 2.300 122.331 119.950 0.135 0.000 2.095 360 F HA -0.198 4.329 4.527 0.001 0.000 0.298 360 F C 2.201 178.094 175.800 0.155 0.000 1.104 360 F CA 2.089 60.211 58.000 0.202 0.000 1.232 360 F CB -0.325 38.852 39.000 0.294 0.000 0.987 360 F HN 0.213 nan 8.300 nan 0.000 0.475 361 I N -0.999 119.512 120.570 -0.098 0.000 3.111 361 I HA 0.042 4.212 4.170 0.001 0.000 0.272 361 I C 0.782 176.745 176.117 -0.258 0.000 1.268 361 I CA 0.850 61.905 61.300 -0.408 0.000 1.467 361 I CB -1.658 35.985 38.000 -0.596 0.000 1.087 361 I HN 0.252 nan 8.210 nan 0.000 0.467 362 T N 0.128 114.586 114.554 -0.161 0.000 3.290 362 T HA -0.238 4.113 4.350 0.001 0.000 0.422 362 T C 0.597 175.215 174.700 -0.137 0.000 0.771 362 T CA 0.915 62.914 62.100 -0.168 0.000 2.100 362 T CB -2.083 66.625 68.868 -0.268 0.000 1.676 362 T HN 0.555 nan 8.240 nan 0.000 0.613 363 L N 1.318 122.484 121.223 -0.095 0.000 2.131 363 L HA 0.215 4.556 4.340 0.001 0.000 0.210 363 L C 1.270 178.146 176.870 0.010 0.000 1.092 363 L CA 1.487 56.336 54.840 0.015 0.000 0.759 363 L CB 0.176 42.267 42.059 0.053 0.000 0.903 363 L HN 0.675 nan 8.230 nan 0.000 0.435 364 V N 1.629 121.483 119.914 -0.099 0.000 2.266 364 V HA 0.279 4.399 4.120 0.001 0.000 0.266 364 V C -1.533 174.449 176.094 -0.186 0.000 1.036 364 V CA -0.821 61.372 62.300 -0.178 0.000 0.828 364 V CB 0.548 32.235 31.823 -0.226 0.000 1.081 364 V HN 0.140 nan 8.190 nan 0.000 0.449 365 P HA -0.020 nan 4.420 nan 0.000 0.219 365 P C 1.018 178.259 177.300 -0.098 0.000 1.150 365 P CA 0.885 63.900 63.100 -0.142 0.000 0.814 365 P CB 0.501 32.117 31.700 -0.140 0.000 0.787 366 S N -0.897 114.750 115.700 -0.088 0.000 2.572 366 S HA 0.119 4.589 4.470 0.001 0.000 0.228 366 S C 0.455 174.996 174.600 -0.098 0.000 0.963 366 S CA -0.361 57.823 58.200 -0.026 0.000 0.939 366 S CB -0.803 62.438 63.200 0.069 0.000 0.804 366 S HN 0.149 nan 8.310 nan 0.000 0.480 367 N N 0.505 119.112 118.700 -0.155 0.000 6.260 367 N HA -0.194 4.546 4.740 0.001 0.000 0.382 367 N C -1.110 174.267 175.510 -0.222 0.000 0.928 367 N CA 0.575 53.525 53.050 -0.166 0.000 1.195 367 N CB -0.763 37.655 38.487 -0.115 0.000 0.819 367 N HN 0.183 nan 8.380 nan 0.000 0.400 368 L N 2.056 123.172 121.223 -0.180 0.000 2.343 368 L HA 0.560 4.900 4.340 0.001 0.000 0.275 368 L C -1.553 175.282 176.870 -0.060 0.000 1.056 368 L CA -1.304 53.424 54.840 -0.187 0.000 0.804 368 L CB 0.593 42.507 42.059 -0.241 0.000 1.203 368 L HN 0.452 nan 8.230 nan 0.000 0.440 369 P HA 0.167 nan 4.420 nan 0.000 0.280 369 P C -0.675 176.591 177.300 -0.056 0.000 1.244 369 P CA -0.091 62.984 63.100 -0.041 0.000 0.784 369 P CB 0.723 32.396 31.700 -0.045 0.000 0.913 370 H N 0.866 119.809 119.070 -0.212 0.000 2.585 370 H HA 0.417 4.974 4.556 0.001 0.000 0.338 370 H C 0.246 175.447 175.328 -0.212 0.000 1.295 370 H CA -0.524 55.396 56.048 -0.213 0.000 1.356 370 H CB 1.783 31.414 29.762 -0.217 0.000 1.736 370 H HN 0.552 nan 8.280 nan 0.000 0.629 371 E N -0.173 119.990 120.200 -0.062 0.000 2.366 371 E HA 0.553 4.904 4.350 0.001 0.000 0.278 371 E C -1.705 174.896 176.600 0.002 0.000 0.923 371 E CA -1.242 55.106 56.400 -0.086 0.000 0.761 371 E CB 1.757 31.402 29.700 -0.093 0.000 1.231 371 E HN 0.617 nan 8.360 nan 0.000 0.443 372 A N 2.011 124.841 122.820 0.016 0.000 2.444 372 A HA 0.241 4.561 4.320 0.001 0.000 0.273 372 A C 1.100 178.737 177.584 0.088 0.000 1.136 372 A CA 0.285 52.429 52.037 0.178 0.000 0.799 372 A CB 0.061 19.173 19.000 0.187 0.000 1.081 372 A HN 0.772 nan 8.150 nan 0.000 0.509 373 T N 0.410 115.020 114.554 0.093 0.000 3.023 373 T HA 0.075 4.426 4.350 0.001 0.000 0.266 373 T C 0.925 175.651 174.700 0.043 0.000 1.093 373 T CA 0.682 62.809 62.100 0.046 0.000 1.129 373 T CB 0.030 68.922 68.868 0.039 0.000 0.899 373 T HN 0.534 nan 8.240 nan 0.000 0.491 374 R N 0.987 121.521 120.500 0.057 0.000 2.725 374 R HA 0.333 4.674 4.340 0.001 0.000 0.277 374 R C -1.708 174.629 176.300 0.061 0.000 0.987 374 R CA -0.684 55.443 56.100 0.045 0.000 0.901 374 R CB 1.692 32.011 30.300 0.032 0.000 1.207 374 R HN 0.121 nan 8.270 nan 0.000 0.463 375 D N 1.398 121.827 120.400 0.049 0.000 2.662 375 D HA 0.009 4.649 4.640 0.001 0.000 0.237 375 D C -0.581 175.762 176.300 0.070 0.000 1.154 375 D CA 1.588 55.621 54.000 0.055 0.000 0.861 375 D CB 0.528 41.353 40.800 0.041 0.000 1.146 375 D HN 0.226 nan 8.370 nan 0.000 0.518 376 T N 2.581 117.196 114.554 0.102 0.000 2.893 376 T HA 0.542 4.892 4.350 0.001 0.000 0.291 376 T C 0.010 174.794 174.700 0.140 0.000 1.028 376 T CA -0.682 61.488 62.100 0.117 0.000 0.995 376 T CB 1.202 70.139 68.868 0.115 0.000 1.051 376 T HN 0.051 nan 8.240 nan 0.000 0.470 377 I N 2.908 123.563 120.570 0.141 0.000 2.306 377 I HA 0.381 4.552 4.170 0.001 0.000 0.288 377 I C -0.800 175.410 176.117 0.156 0.000 1.036 377 I CA -0.396 60.987 61.300 0.139 0.000 1.221 377 I CB 0.205 38.257 38.000 0.086 0.000 1.385 377 I HN 0.525 nan 8.210 nan 0.000 0.472 378 F N 6.878 126.814 119.950 -0.023 0.000 2.411 378 F HA 0.604 5.131 4.527 0.000 0.000 0.352 378 F C 1.129 176.924 175.800 -0.008 0.000 1.123 378 F CA -0.324 57.571 58.000 -0.176 0.000 1.044 378 F CB 0.335 39.242 39.000 -0.154 0.000 1.135 378 F HN 0.535 nan 8.300 nan 0.000 0.461 379 R N 2.552 122.680 120.500 -0.620 0.000 3.883 379 R HA -0.269 4.071 4.340 0.001 0.000 0.407 379 R C 1.171 177.306 176.300 -0.275 0.000 0.242 379 R CA 1.944 57.805 56.100 -0.397 0.000 1.306 379 R CB -1.663 28.428 30.300 -0.347 0.000 0.973 379 R HN 0.923 nan 8.270 nan 0.000 0.574 380 G N -0.959 107.556 108.800 -0.475 0.000 3.393 380 G HA2 0.308 4.268 3.960 0.001 0.000 0.255 380 G HA3 0.308 4.268 3.960 0.001 0.000 0.255 380 G C -0.775 173.926 174.900 -0.332 0.000 1.097 380 G CA -0.125 44.731 45.100 -0.405 0.000 0.780 380 G HN 0.215 nan 8.290 nan 0.000 0.540 381 Y N -0.309 120.016 120.300 0.041 0.000 2.420 381 Y HA 0.488 5.038 4.550 0.001 0.000 0.334 381 Y C 0.182 176.123 175.900 0.068 0.000 1.094 381 Y CA -1.541 56.594 58.100 0.059 0.000 1.126 381 Y CB 1.636 40.143 38.460 0.078 0.000 1.217 381 Y HN -0.172 nan 8.280 nan 0.000 0.462 382 L N 5.035 126.390 121.223 0.220 0.000 2.290 382 L HA 0.441 4.781 4.340 0.001 0.000 0.284 382 L C -0.896 176.038 176.870 0.108 0.000 1.078 382 L CA -0.271 54.653 54.840 0.139 0.000 0.815 382 L CB 0.285 42.401 42.059 0.096 0.000 1.162 382 L HN 0.670 nan 8.230 nan 0.000 0.435 383 I N 7.239 127.869 120.570 0.099 0.000 2.388 383 I HA 0.279 4.449 4.170 0.001 0.000 0.281 383 I C -2.168 173.972 176.117 0.039 0.000 1.046 383 I CA -1.942 59.378 61.300 0.034 0.000 1.187 383 I CB 1.344 39.368 38.000 0.040 0.000 1.351 383 I HN 0.392 nan 8.210 nan 0.000 0.472 384 P HA 0.005 nan 4.420 nan 0.000 0.269 384 P C -0.195 177.108 177.300 0.005 0.000 1.215 384 P CA -0.413 62.693 63.100 0.011 0.000 0.780 384 P CB 0.595 32.294 31.700 -0.002 0.000 0.898 385 K N 1.654 122.063 120.400 0.015 0.000 2.561 385 K HA 0.060 4.380 4.320 0.001 0.000 0.280 385 K C 1.169 177.761 176.600 -0.013 0.000 0.975 385 K CA 1.211 57.506 56.287 0.013 0.000 1.024 385 K CB -0.708 31.801 32.500 0.014 0.000 0.883 385 K HN 0.790 nan 8.250 nan 0.000 0.496 386 G N 2.391 111.180 108.800 -0.019 0.000 2.168 386 G HA2 -0.258 3.702 3.960 0.001 0.000 0.263 386 G HA3 -0.258 3.702 3.960 0.001 0.000 0.263 386 G C 0.177 175.030 174.900 -0.078 0.000 0.977 386 G CA 0.683 45.757 45.100 -0.044 0.000 0.659 386 G HN 0.675 nan 8.290 nan 0.000 0.533 387 T N 0.985 115.482 114.554 -0.094 0.000 2.916 387 T HA 0.392 4.742 4.350 0.001 0.000 0.303 387 T C 0.968 175.551 174.700 -0.194 0.000 1.025 387 T CA -0.024 61.980 62.100 -0.160 0.000 1.142 387 T CB 1.761 70.515 68.868 -0.190 0.000 0.947 387 T HN 0.428 nan 8.240 nan 0.000 0.544 388 V N 4.760 124.544 119.914 -0.216 0.000 2.585 388 V HA 0.144 4.264 4.120 0.001 0.000 0.296 388 V C 0.349 176.243 176.094 -0.332 0.000 1.035 388 V CA -0.207 61.957 62.300 -0.227 0.000 1.084 388 V CB 0.828 32.537 31.823 -0.190 0.000 0.953 388 V HN 0.619 nan 8.190 nan 0.000 0.483 389 V N 5.822 125.523 119.914 -0.355 0.000 2.448 389 V HA 0.385 4.505 4.120 0.001 0.000 0.295 389 V C -0.178 175.650 176.094 -0.443 0.000 1.025 389 V CA -0.520 61.458 62.300 -0.537 0.000 0.859 389 V CB 1.965 33.293 31.823 -0.825 0.000 0.988 389 V HN 0.598 nan 8.190 nan 0.000 0.431 390 V N 7.541 127.149 119.914 -0.510 0.000 2.284 390 V HA 0.344 4.464 4.120 0.001 0.000 0.274 390 V C -2.451 173.371 176.094 -0.453 0.000 1.023 390 V CA -1.695 60.353 62.300 -0.421 0.000 0.808 390 V CB 1.538 33.106 31.823 -0.426 0.000 1.035 390 V HN 0.757 nan 8.190 nan 0.000 0.445 391 P HA 0.229 nan 4.420 nan 0.000 0.262 391 P C 0.363 177.517 177.300 -0.245 0.000 1.620 391 P CA -0.169 62.717 63.100 -0.357 0.000 1.089 391 P CB 0.175 31.630 31.700 -0.407 0.000 1.601 392 T N 0.605 115.031 114.554 -0.212 0.000 2.916 392 T HA 0.183 4.534 4.350 0.001 0.000 0.303 392 T C 1.129 175.753 174.700 -0.127 0.000 1.025 392 T CA -0.266 61.758 62.100 -0.127 0.000 1.142 392 T CB 0.442 69.276 68.868 -0.055 0.000 0.947 392 T HN 0.131 nan 8.240 nan 0.000 0.544 393 L N 1.659 122.817 121.223 -0.108 0.000 2.357 393 L HA 0.143 4.484 4.340 0.001 0.000 0.211 393 L C 2.646 179.470 176.870 -0.076 0.000 1.075 393 L CA 0.392 55.175 54.840 -0.095 0.000 0.830 393 L CB -0.455 41.536 42.059 -0.114 0.000 0.996 393 L HN 0.774 nan 8.230 nan 0.000 0.467 394 D N 0.460 120.795 120.400 -0.108 0.000 2.149 394 D HA -0.242 4.398 4.640 0.001 0.000 0.198 394 D C 2.047 178.302 176.300 -0.074 0.000 0.990 394 D CA 1.802 55.715 54.000 -0.145 0.000 0.839 394 D CB -0.411 40.245 40.800 -0.240 0.000 0.948 394 D HN 0.340 nan 8.370 nan 0.000 0.460 395 S N -0.141 115.477 115.700 -0.137 0.000 2.442 395 S HA -0.077 4.394 4.470 0.001 0.000 0.236 395 S C 2.041 176.626 174.600 -0.025 0.000 1.007 395 S CA 0.970 59.027 58.200 -0.239 0.000 0.965 395 S CB -0.427 62.253 63.200 -0.866 0.000 0.773 395 S HN 0.219 nan 8.310 nan 0.000 0.504 396 V N 1.384 121.326 119.914 0.047 0.000 2.492 396 V HA 0.150 4.271 4.120 0.001 0.000 0.241 396 V C 2.422 178.727 176.094 0.351 0.000 1.041 396 V CA 1.079 63.498 62.300 0.198 0.000 1.057 396 V CB -0.679 31.227 31.823 0.137 0.000 0.711 396 V HN 0.431 nan 8.190 nan 0.000 0.468 397 L N -1.361 120.017 121.223 0.258 0.000 2.275 397 L HA -0.078 4.263 4.340 0.001 0.000 0.215 397 L C 1.654 178.718 176.870 0.325 0.000 1.119 397 L CA 1.569 56.573 54.840 0.272 0.000 0.790 397 L CB -0.314 41.839 42.059 0.156 0.000 0.919 397 L HN 0.381 nan 8.230 nan 0.000 0.443 398 Y N -0.972 119.378 120.300 0.084 0.000 2.658 398 Y HA 0.115 4.666 4.550 0.001 0.000 0.276 398 Y C 0.718 176.706 175.900 0.147 0.000 1.167 398 Y CA -0.832 57.311 58.100 0.071 0.000 1.230 398 Y CB 0.385 38.858 38.460 0.021 0.000 1.144 398 Y HN 0.057 nan 8.280 nan 0.000 0.529 399 D N 1.751 122.359 120.400 0.347 0.000 2.472 399 D HA -0.093 4.548 4.640 0.001 0.000 0.248 399 D C 0.675 177.017 176.300 0.070 0.000 1.174 399 D CA 0.297 54.424 54.000 0.211 0.000 0.883 399 D CB 0.759 41.697 40.800 0.231 0.000 1.149 399 D HN 0.500 nan 8.370 nan 0.000 0.488 400 N N 3.084 121.811 118.700 0.045 0.000 2.494 400 N HA -0.144 4.596 4.740 0.001 0.000 0.182 400 N C 1.034 176.500 175.510 -0.074 0.000 1.076 400 N CA 0.833 53.884 53.050 0.000 0.000 0.908 400 N CB 0.151 38.659 38.487 0.036 0.000 0.967 400 N HN 0.420 nan 8.380 nan 0.000 0.449 401 Q N 0.071 119.787 119.800 -0.140 0.000 2.200 401 Q HA 0.022 4.363 4.340 0.001 0.000 0.197 401 Q C 1.442 177.199 176.000 -0.404 0.000 0.953 401 Q CA 0.797 56.474 55.803 -0.210 0.000 0.851 401 Q CB -0.194 28.446 28.738 -0.164 0.000 0.938 401 Q HN 0.390 nan 8.270 nan 0.000 0.488 402 E N 0.370 120.153 120.200 -0.695 0.000 2.110 402 E HA -0.113 4.238 4.350 0.001 0.000 0.193 402 E C -0.363 175.516 176.600 -1.202 0.000 0.988 402 E CA 0.990 56.663 56.400 -1.211 0.000 0.804 402 E CB 0.116 28.573 29.700 -2.071 0.000 0.745 402 E HN 0.108 nan 8.360 nan 0.000 0.458 403 F N -0.384 119.324 119.950 -0.404 0.000 2.550 403 F HA 0.351 4.878 4.527 0.001 0.000 0.348 403 F C -1.857 173.786 175.800 -0.263 0.000 1.219 403 F CA -2.695 55.039 58.000 -0.444 0.000 1.203 403 F CB 1.381 39.941 39.000 -0.735 0.000 1.436 403 F HN -0.070 nan 8.300 nan 0.000 0.541 404 P HA -0.240 nan 4.420 nan 0.000 0.226 404 P C -0.204 177.133 177.300 0.061 0.000 1.154 404 P CA 1.810 64.918 63.100 0.014 0.000 0.918 404 P CB 0.160 31.863 31.700 0.006 0.000 0.790 405 D N -2.020 118.483 120.400 0.172 0.000 2.551 405 D HA 0.102 4.742 4.640 0.001 0.000 0.294 405 D C -1.554 174.793 176.300 0.080 0.000 1.201 405 D CA -1.477 52.591 54.000 0.114 0.000 0.941 405 D CB 0.379 41.227 40.800 0.081 0.000 0.995 405 D HN 0.242 nan 8.370 nan 0.000 0.502 406 P HA -0.169 nan 4.420 nan 0.000 0.223 406 P C 1.148 178.106 177.300 -0.569 0.000 1.151 406 P CA 0.960 63.835 63.100 -0.375 0.000 0.787 406 P CB 0.439 31.984 31.700 -0.259 0.000 0.788 407 E N -0.191 119.915 120.200 -0.157 0.000 2.481 407 E HA -0.028 4.323 4.350 0.001 0.000 0.195 407 E C 0.238 177.011 176.600 0.288 0.000 1.047 407 E CA 0.655 57.097 56.400 0.070 0.000 0.867 407 E CB -0.241 29.580 29.700 0.202 0.000 0.858 407 E HN 0.092 nan 8.360 nan 0.000 0.513 408 K N 1.021 121.548 120.400 0.211 0.000 2.130 408 K HA 0.253 4.573 4.320 0.001 0.000 0.268 408 K C -0.653 176.024 176.600 0.128 0.000 0.983 408 K CA -1.097 55.314 56.287 0.207 0.000 0.893 408 K CB 0.685 33.234 32.500 0.080 0.000 1.066 408 K HN 0.009 nan 8.250 nan 0.000 0.450 409 F N 2.915 122.665 119.950 -0.335 0.000 2.471 409 F HA 0.140 4.667 4.527 0.001 0.000 0.365 409 F C -0.006 175.528 175.800 -0.443 0.000 1.095 409 F CA 0.362 58.005 58.000 -0.595 0.000 1.174 409 F CB 0.385 38.807 39.000 -0.962 0.000 1.105 409 F HN 0.183 nan 8.300 nan 0.000 0.535 410 K N 7.986 127.840 120.400 -0.911 0.000 2.695 410 K HA 0.189 4.509 4.320 0.001 0.000 0.255 410 K C -2.291 173.871 176.600 -0.729 0.000 1.016 410 K CA -1.524 54.296 56.287 -0.779 0.000 0.928 410 K CB 2.080 34.099 32.500 -0.801 0.000 1.235 410 K HN 0.224 nan 8.250 nan 0.000 0.467 411 P HA -0.245 nan 4.420 nan 0.000 0.217 411 P C 1.019 178.188 177.300 -0.217 0.000 1.151 411 P CA 1.243 64.093 63.100 -0.416 0.000 0.849 411 P CB 0.419 31.828 31.700 -0.484 0.000 0.787 412 E N -0.759 119.295 120.200 -0.243 0.000 2.273 412 E HA -0.247 4.103 4.350 0.001 0.000 0.198 412 E C 1.588 178.063 176.600 -0.209 0.000 1.002 412 E CA 1.397 57.680 56.400 -0.195 0.000 0.828 412 E CB -0.911 28.665 29.700 -0.207 0.000 0.747 412 E HN 0.434 nan 8.360 nan 0.000 0.491 413 H N -1.935 117.029 119.070 -0.177 0.000 2.460 413 H HA -0.117 4.440 4.556 0.001 0.000 0.297 413 H C 0.391 175.427 175.328 -0.487 0.000 1.103 413 H CA 1.205 57.107 56.048 -0.244 0.000 1.292 413 H CB -0.033 29.587 29.762 -0.238 0.000 1.376 413 H HN 0.191 nan 8.280 nan 0.000 0.531 414 F N 0.351 120.241 119.950 -0.099 0.000 2.855 414 F HA 0.336 4.863 4.527 0.001 0.000 0.317 414 F C -0.621 174.943 175.800 -0.392 0.000 1.169 414 F CA -0.123 57.691 58.000 -0.309 0.000 1.299 414 F CB 0.615 39.437 39.000 -0.297 0.000 0.962 414 F HN -0.104 nan 8.300 nan 0.000 0.506 415 L N 0.801 121.929 121.223 -0.159 0.000 2.455 415 L HA 0.373 4.714 4.340 0.001 0.000 0.264 415 L C -0.361 176.441 176.870 -0.114 0.000 0.968 415 L CA -0.886 53.890 54.840 -0.106 0.000 0.827 415 L CB 1.908 43.964 42.059 -0.005 0.000 1.317 415 L HN 0.093 nan 8.230 nan 0.000 0.407 416 N N 1.047 119.691 118.700 -0.093 0.000 2.431 416 N HA 0.191 4.931 4.740 0.001 0.000 0.289 416 N C 0.021 175.505 175.510 -0.044 0.000 1.277 416 N CA -0.603 52.402 53.050 -0.076 0.000 0.972 416 N CB 1.008 39.452 38.487 -0.072 0.000 1.143 416 N HN 0.538 nan 8.380 nan 0.000 0.578 417 E N -0.424 119.752 120.200 -0.041 0.000 2.208 417 E HA 0.022 4.373 4.350 0.001 0.000 0.193 417 E C -0.007 176.583 176.600 -0.017 0.000 0.988 417 E CA 0.587 56.968 56.400 -0.032 0.000 0.828 417 E CB -0.026 29.652 29.700 -0.036 0.000 0.763 417 E HN 0.423 nan 8.360 nan 0.000 0.478 418 N N 0.787 119.481 118.700 -0.010 0.000 2.420 418 N HA 0.082 4.823 4.740 0.001 0.000 0.249 418 N C 0.041 175.559 175.510 0.014 0.000 1.033 418 N CA -0.152 52.899 53.050 0.002 0.000 0.944 418 N CB 1.187 39.676 38.487 0.004 0.000 1.113 418 N HN 0.131 nan 8.380 nan 0.000 0.502 419 G N 3.147 111.962 108.800 0.025 0.000 3.250 419 G HA2 -0.165 3.795 3.960 0.001 0.000 0.216 419 G HA3 -0.165 3.795 3.960 0.001 0.000 0.216 419 G C 0.509 175.457 174.900 0.080 0.000 1.091 419 G CA 0.485 45.616 45.100 0.052 0.000 1.654 419 G HN 0.515 nan 8.290 nan 0.000 0.551 420 K N -0.516 119.923 120.400 0.065 0.000 2.098 420 K HA 0.265 4.585 4.320 0.001 0.000 0.257 420 K C -0.192 176.480 176.600 0.120 0.000 0.999 420 K CA -0.917 55.428 56.287 0.098 0.000 0.924 420 K CB 1.171 33.715 32.500 0.074 0.000 1.028 420 K HN 0.127 nan 8.250 nan 0.000 0.466 421 F N 2.125 122.088 119.950 0.022 0.000 2.572 421 F HA -0.016 4.512 4.527 0.001 0.000 0.370 421 F C 0.380 176.193 175.800 0.022 0.000 1.103 421 F CA 0.516 58.521 58.000 0.010 0.000 1.286 421 F CB 0.454 39.438 39.000 -0.026 0.000 1.105 421 F HN 0.258 nan 8.300 nan 0.000 0.583 422 K N 7.264 127.184 120.400 -0.799 0.000 2.425 422 K HA 0.168 4.488 4.320 0.001 0.000 0.259 422 K C -1.396 174.784 176.600 -0.700 0.000 0.978 422 K CA -0.737 55.226 56.287 -0.540 0.000 0.883 422 K CB 0.595 32.894 32.500 -0.334 0.000 1.110 422 K HN 0.712 nan 8.250 nan 0.000 0.436 423 Y N 2.480 122.557 120.300 -0.371 0.000 2.480 423 Y HA 0.155 4.705 4.550 0.001 0.000 0.338 423 Y C -0.387 175.510 175.900 -0.006 0.000 1.220 423 Y CA 0.773 58.847 58.100 -0.043 0.000 1.430 423 Y CB 1.189 39.744 38.460 0.159 0.000 1.311 423 Y HN 0.512 nan 8.280 nan 0.000 0.575 424 S N 3.683 119.048 115.700 -0.558 0.000 2.557 424 S HA 0.163 4.634 4.470 0.001 0.000 0.291 424 S C 0.009 174.327 174.600 -0.471 0.000 1.116 424 S CA -0.809 57.170 58.200 -0.369 0.000 0.992 424 S CB 1.101 64.256 63.200 -0.076 0.000 1.028 424 S HN 0.864 nan 8.310 nan 0.000 0.484 425 D N 2.547 122.894 120.400 -0.088 0.000 2.378 425 D HA 0.015 4.655 4.640 0.001 0.000 0.222 425 D C 0.680 177.109 176.300 0.215 0.000 0.980 425 D CA 1.135 55.218 54.000 0.138 0.000 0.907 425 D CB 0.012 40.974 40.800 0.271 0.000 0.899 425 D HN 0.744 nan 8.370 nan 0.000 0.527 426 Y N -1.370 118.920 120.300 -0.016 0.000 2.500 426 Y HA 0.104 4.655 4.550 0.001 0.000 0.270 426 Y C 0.523 176.643 175.900 0.366 0.000 1.134 426 Y CA -0.620 57.560 58.100 0.134 0.000 1.293 426 Y CB 0.085 38.525 38.460 -0.033 0.000 1.063 426 Y HN -0.132 nan 8.280 nan 0.000 0.534 427 F N 2.824 123.016 119.950 0.404 0.000 2.613 427 F HA 0.164 4.691 4.527 0.001 0.000 0.341 427 F C 0.154 176.125 175.800 0.284 0.000 1.288 427 F CA -0.179 58.059 58.000 0.397 0.000 1.103 427 F CB 0.069 39.370 39.000 0.502 0.000 1.423 427 F HN -0.244 nan 8.300 nan 0.000 0.651 428 K N 6.980 127.336 120.400 -0.074 0.000 3.045 428 K HA 0.236 4.557 4.320 0.001 0.000 0.211 428 K C -1.991 174.478 176.600 -0.219 0.000 1.141 428 K CA -1.309 54.924 56.287 -0.091 0.000 1.036 428 K CB 0.181 32.705 32.500 0.039 0.000 0.851 428 K HN 0.319 nan 8.250 nan 0.000 0.462 429 P HA -0.009 nan 4.420 nan 0.000 0.233 429 P C 0.591 177.569 177.300 -0.535 0.000 1.167 429 P CA 0.564 63.354 63.100 -0.517 0.000 0.770 429 P CB 0.052 31.328 31.700 -0.707 0.000 0.837 430 F N -0.716 119.115 119.950 -0.198 0.000 2.727 430 F HA 0.266 4.793 4.527 0.001 0.000 0.302 430 F C 1.487 177.247 175.800 -0.066 0.000 1.097 430 F CA 0.187 58.125 58.000 -0.104 0.000 1.330 430 F CB -0.228 38.734 39.000 -0.063 0.000 1.084 430 F HN -0.099 nan 8.300 nan 0.000 0.578 431 S N -0.515 115.217 115.700 0.053 0.000 3.784 431 S HA -0.197 4.274 4.470 0.001 0.000 0.636 431 S C -0.103 174.549 174.600 0.086 0.000 2.075 431 S CA 0.597 58.822 58.200 0.040 0.000 2.280 431 S CB -1.068 62.160 63.200 0.046 0.000 0.330 431 S HN 0.501 nan 8.310 nan 0.000 1.762 432 T N -0.541 114.058 114.554 0.074 0.000 2.739 432 T HA 0.664 5.015 4.350 0.001 0.000 0.303 432 T C 0.344 175.100 174.700 0.094 0.000 1.389 432 T CA 1.343 63.497 62.100 0.090 0.000 1.001 432 T CB 0.531 69.448 68.868 0.082 0.000 1.436 432 T HN 2.746 nan 8.240 nan 0.000 0.500 433 G N 2.202 111.062 108.800 0.100 0.000 2.527 433 G HA2 -0.125 3.835 3.960 0.001 0.000 0.227 433 G HA3 -0.125 3.835 3.960 0.001 0.000 0.227 433 G C 0.352 175.343 174.900 0.153 0.000 1.291 433 G CA 0.379 45.547 45.100 0.115 0.000 0.904 433 G HN 0.762 nan 8.290 nan 0.000 0.577 434 K N 0.582 121.098 120.400 0.194 0.000 2.283 434 K HA 0.025 4.345 4.320 0.001 0.000 0.202 434 K C 2.168 178.979 176.600 0.353 0.000 1.048 434 K CA 1.338 57.790 56.287 0.274 0.000 0.948 434 K CB -0.124 32.573 32.500 0.328 0.000 0.742 434 K HN 0.518 nan 8.250 nan 0.000 0.458 435 R N 0.930 121.586 120.500 0.260 0.000 2.577 435 R HA 0.125 4.466 4.340 0.001 0.000 0.344 435 R C -0.021 176.372 176.300 0.156 0.000 1.037 435 R CA -0.147 56.078 56.100 0.207 0.000 1.102 435 R CB 0.442 30.720 30.300 -0.037 0.000 1.313 435 R HN -0.104 nan 8.270 nan 0.000 0.561 436 V N 0.269 120.276 119.914 0.154 0.000 2.790 436 V HA -0.158 3.962 4.120 0.001 0.000 0.304 436 V C 1.313 177.474 176.094 0.112 0.000 1.142 436 V CA -1.202 61.173 62.300 0.126 0.000 1.282 436 V CB -0.112 31.774 31.823 0.106 0.000 0.877 436 V HN 0.391 nan 8.190 nan 0.000 0.504 437 C N 5.020 124.397 119.300 0.127 0.000 1.986 437 C HA 0.173 4.634 4.460 0.001 0.000 0.404 437 C C 1.924 176.959 174.990 0.074 0.000 1.551 437 C CA 0.369 59.464 59.018 0.127 0.000 1.457 437 C CB -1.380 26.537 27.740 0.295 0.000 2.639 437 C HN 1.375 nan 8.230 nan 0.000 0.590 438 A N 4.399 127.256 122.820 0.062 0.000 2.121 438 A HA 0.170 4.491 4.320 0.001 0.000 0.218 438 A C 1.849 179.446 177.584 0.022 0.000 1.154 438 A CA 1.560 53.623 52.037 0.044 0.000 0.679 438 A CB -0.356 18.676 19.000 0.053 0.000 0.795 438 A HN 1.548 nan 8.150 nan 0.000 0.458 439 G N -0.999 107.817 108.800 0.027 0.000 3.863 439 G HA2 0.297 4.257 3.960 0.001 0.000 0.290 439 G HA3 0.297 4.257 3.960 0.001 0.000 0.290 439 G C 0.718 175.593 174.900 -0.042 0.000 1.018 439 G CA 0.659 45.767 45.100 0.013 0.000 0.824 439 G HN 0.563 nan 8.290 nan 0.000 0.507 440 E N 0.597 120.701 120.200 -0.161 0.000 2.048 440 E HA -0.136 4.214 4.350 0.001 0.000 0.202 440 E C 2.478 178.825 176.600 -0.421 0.000 1.021 440 E CA 1.865 57.913 56.400 -0.587 0.000 0.825 440 E CB -0.492 28.818 29.700 -0.651 0.000 0.756 440 E HN 0.238 nan 8.360 nan 0.000 0.454 441 G N 1.333 110.006 108.800 -0.212 0.000 2.586 441 G HA2 -0.329 3.631 3.960 0.001 0.000 0.218 441 G HA3 -0.329 3.631 3.960 0.001 0.000 0.218 441 G C 1.513 176.381 174.900 -0.053 0.000 1.216 441 G CA 1.169 46.201 45.100 -0.114 0.000 0.786 441 G HN 0.334 nan 8.290 nan 0.000 0.583 442 L N 1.591 122.805 121.223 -0.015 0.000 1.978 442 L HA -0.084 4.257 4.340 0.001 0.000 0.218 442 L C 3.212 180.121 176.870 0.064 0.000 1.075 442 L CA 2.617 57.479 54.840 0.037 0.000 0.767 442 L CB -1.076 41.014 42.059 0.051 0.000 0.890 442 L HN 0.315 nan 8.230 nan 0.000 0.434 443 A N 0.232 123.094 122.820 0.070 0.000 1.884 443 A HA -0.302 4.019 4.320 0.001 0.000 0.219 443 A C 2.289 179.975 177.584 0.170 0.000 1.197 443 A CA 2.610 54.741 52.037 0.156 0.000 0.637 443 A CB -0.783 18.403 19.000 0.309 0.000 0.827 443 A HN 0.670 nan 8.150 nan 0.000 0.450 444 R N -0.045 120.521 120.500 0.110 0.000 2.115 444 R HA -0.095 4.246 4.340 0.001 0.000 0.230 444 R C 2.221 178.595 176.300 0.124 0.000 1.111 444 R CA 1.745 57.918 56.100 0.122 0.000 0.976 444 R CB -0.840 29.493 30.300 0.055 0.000 0.870 444 R HN 0.760 nan 8.270 nan 0.000 0.445 445 M N 0.647 120.309 119.600 0.103 0.000 2.349 445 M HA 0.073 4.553 4.480 0.001 0.000 0.266 445 M C 1.522 177.945 176.300 0.204 0.000 1.076 445 M CA 1.466 56.859 55.300 0.155 0.000 1.126 445 M CB -0.025 32.640 32.600 0.107 0.000 1.392 445 M HN 0.017 nan 8.290 nan 0.000 0.440 446 E N 1.468 121.767 120.200 0.165 0.000 2.038 446 E HA -0.166 4.185 4.350 0.001 0.000 0.195 446 E C 2.142 178.840 176.600 0.163 0.000 1.000 446 E CA 1.849 58.346 56.400 0.161 0.000 0.803 446 E CB -0.340 29.448 29.700 0.146 0.000 0.750 446 E HN 0.604 nan 8.360 nan 0.000 0.448 447 L N -0.010 121.315 121.223 0.171 0.000 2.012 447 L HA -0.197 4.144 4.340 0.001 0.000 0.210 447 L C 2.503 179.472 176.870 0.165 0.000 1.073 447 L CA 1.225 56.161 54.840 0.159 0.000 0.748 447 L CB -0.464 41.692 42.059 0.161 0.000 0.891 447 L HN 0.175 nan 8.230 nan 0.000 0.431 448 F N 0.475 120.461 119.950 0.061 0.000 2.128 448 F HA -0.133 4.394 4.527 0.001 0.000 0.295 448 F C 2.190 178.031 175.800 0.070 0.000 1.100 448 F CA 1.310 59.341 58.000 0.052 0.000 1.260 448 F CB -0.108 38.909 39.000 0.028 0.000 1.009 448 F HN -0.162 nan 8.300 nan 0.000 0.476 449 L N -0.140 121.112 121.223 0.048 0.000 2.005 449 L HA -0.207 4.133 4.340 0.001 0.000 0.207 449 L C 2.369 179.213 176.870 -0.044 0.000 1.072 449 L CA 1.245 56.063 54.840 -0.037 0.000 0.744 449 L CB -0.828 41.319 42.059 0.147 0.000 0.895 449 L HN 0.199 nan 8.230 nan 0.000 0.433 450 L N -0.988 120.261 121.223 0.044 0.000 2.156 450 L HA -0.179 4.161 4.340 0.001 0.000 0.208 450 L C 2.331 179.232 176.870 0.051 0.000 1.095 450 L CA 0.800 55.684 54.840 0.075 0.000 0.770 450 L CB -0.537 41.595 42.059 0.121 0.000 0.914 450 L HN 0.162 nan 8.230 nan 0.000 0.439 451 L N -1.248 119.982 121.223 0.012 0.000 2.141 451 L HA -0.187 4.154 4.340 0.001 0.000 0.209 451 L C 2.434 179.280 176.870 -0.040 0.000 1.094 451 L CA 1.489 56.334 54.840 0.009 0.000 0.763 451 L CB -0.508 41.561 42.059 0.017 0.000 0.908 451 L HN 0.276 nan 8.230 nan 0.000 0.437 452 C N -0.731 118.464 119.300 -0.174 0.000 2.413 452 C HA -0.172 4.289 4.460 0.001 0.000 0.278 452 C C 2.984 177.963 174.990 -0.019 0.000 1.224 452 C CA 0.832 59.734 59.018 -0.192 0.000 1.732 452 C CB -1.407 26.070 27.740 -0.440 0.000 2.050 452 C HN 0.734 nan 8.230 nan 0.000 0.463 453 A N 0.478 123.315 122.820 0.028 0.000 1.869 453 A HA -0.247 4.074 4.320 0.001 0.000 0.218 453 A C 1.967 179.706 177.584 0.258 0.000 1.203 453 A CA 2.354 54.483 52.037 0.153 0.000 0.638 453 A CB -0.849 18.234 19.000 0.138 0.000 0.831 453 A HN 0.619 nan 8.150 nan 0.000 0.450 454 I N -0.549 120.154 120.570 0.223 0.000 2.118 454 I HA -0.299 3.871 4.170 0.001 0.000 0.241 454 I C 2.361 178.698 176.117 0.366 0.000 1.070 454 I CA 1.591 63.075 61.300 0.306 0.000 1.327 454 I CB -0.325 37.794 38.000 0.197 0.000 1.034 454 I HN 0.306 nan 8.210 nan 0.000 0.405 455 L N -0.174 121.187 121.223 0.230 0.000 2.313 455 L HA -0.152 4.188 4.340 0.001 0.000 0.214 455 L C 2.547 179.570 176.870 0.256 0.000 1.119 455 L CA 0.709 55.693 54.840 0.239 0.000 0.809 455 L CB -0.467 41.621 42.059 0.048 0.000 0.933 455 L HN 0.379 nan 8.230 nan 0.000 0.449 456 Q N -0.445 119.439 119.800 0.139 0.000 2.170 456 Q HA -0.198 4.143 4.340 0.001 0.000 0.203 456 Q C 1.685 177.550 176.000 -0.224 0.000 0.976 456 Q CA 1.304 57.083 55.803 -0.040 0.000 0.858 456 Q CB 0.208 28.876 28.738 -0.116 0.000 0.907 456 Q HN 0.589 nan 8.270 nan 0.000 0.433 457 H N -2.446 116.630 119.070 0.010 0.000 2.740 457 H HA 0.199 4.755 4.556 0.001 0.000 0.265 457 H C -0.538 174.459 175.328 -0.551 0.000 0.978 457 H CA 0.175 56.051 56.048 -0.287 0.000 1.198 457 H CB 0.712 30.241 29.762 -0.388 0.000 1.467 457 H HN 0.055 nan 8.280 nan 0.000 0.511 458 F N 0.674 120.732 119.950 0.180 0.000 2.591 458 F HA 0.256 4.784 4.527 0.001 0.000 0.309 458 F C -0.231 175.673 175.800 0.174 0.000 1.098 458 F CA -1.060 57.033 58.000 0.155 0.000 0.937 458 F CB 1.641 40.743 39.000 0.170 0.000 1.250 458 F HN -0.230 nan 8.300 nan 0.000 0.447 459 N N 2.077 120.957 118.700 0.299 0.000 2.456 459 N HA 0.563 5.303 4.740 0.001 0.000 0.288 459 N C -1.177 174.490 175.510 0.261 0.000 1.059 459 N CA -0.497 52.701 53.050 0.246 0.000 0.946 459 N CB 1.093 39.637 38.487 0.096 0.000 1.150 459 N HN 0.403 nan 8.380 nan 0.000 0.479 460 L N 1.664 123.030 121.223 0.238 0.000 2.349 460 L HA 0.379 4.719 4.340 0.001 0.000 0.275 460 L C 0.258 177.200 176.870 0.119 0.000 1.115 460 L CA -0.305 54.634 54.840 0.165 0.000 0.820 460 L CB 0.564 42.700 42.059 0.128 0.000 1.135 460 L HN 0.385 nan 8.230 nan 0.000 0.445 461 K N 5.738 126.196 120.400 0.097 0.000 2.604 461 K HA 0.439 4.759 4.320 0.001 0.000 0.247 461 K C -2.696 173.927 176.600 0.038 0.000 0.956 461 K CA -1.843 54.486 56.287 0.070 0.000 0.896 461 K CB 1.619 34.171 32.500 0.086 0.000 1.131 461 K HN 0.086 nan 8.250 nan 0.000 0.440 462 P HA 0.159 nan 4.420 nan 0.000 0.284 462 P C -0.096 177.203 177.300 -0.002 0.000 1.253 462 P CA -0.396 62.696 63.100 -0.013 0.000 0.800 462 P CB 1.018 32.689 31.700 -0.048 0.000 0.961 463 L N 2.251 123.473 121.223 -0.001 0.000 2.672 463 L HA 0.181 4.522 4.340 0.001 0.000 0.236 463 L C 0.706 177.574 176.870 -0.004 0.000 1.186 463 L CA -0.108 54.735 54.840 0.005 0.000 0.977 463 L CB -0.402 41.663 42.059 0.011 0.000 1.203 463 L HN 0.233 nan 8.230 nan 0.000 0.448 464 V N -6.487 113.417 119.914 -0.017 0.000 3.204 464 V HA 0.407 4.527 4.120 0.001 0.000 0.298 464 V C -0.673 175.401 176.094 -0.034 0.000 1.328 464 V CA -1.245 61.041 62.300 -0.023 0.000 1.035 464 V CB 1.868 33.673 31.823 -0.030 0.000 1.095 464 V HN -0.162 nan 8.190 nan 0.000 0.442 465 D N 3.460 123.842 120.400 -0.029 0.000 2.586 465 D HA 0.103 4.743 4.640 0.001 0.000 0.234 465 D C -1.490 174.773 176.300 -0.062 0.000 1.132 465 D CA -0.317 53.662 54.000 -0.035 0.000 0.860 465 D CB 1.883 42.667 40.800 -0.026 0.000 1.159 465 D HN 0.473 nan 8.370 nan 0.000 0.490 466 P HA -0.250 nan 4.420 nan 0.000 0.219 466 P C 1.273 178.489 177.300 -0.140 0.000 1.151 466 P CA 1.723 64.747 63.100 -0.128 0.000 0.850 466 P CB 0.271 31.905 31.700 -0.110 0.000 0.784 467 K N 0.164 120.514 120.400 -0.084 0.000 2.057 467 K HA -0.146 4.175 4.320 0.001 0.000 0.207 467 K C 1.153 177.718 176.600 -0.059 0.000 1.049 467 K CA 1.809 58.059 56.287 -0.062 0.000 0.931 467 K CB -0.893 31.589 32.500 -0.029 0.000 0.714 467 K HN -0.024 nan 8.250 nan 0.000 0.440 468 D N 0.313 120.681 120.400 -0.054 0.000 2.336 468 D HA 0.060 4.700 4.640 0.001 0.000 0.229 468 D C -0.106 176.159 176.300 -0.057 0.000 1.061 468 D CA 0.320 54.294 54.000 -0.043 0.000 0.875 468 D CB -0.083 40.698 40.800 -0.031 0.000 0.904 468 D HN 0.292 nan 8.370 nan 0.000 0.525 469 I N 1.388 121.904 120.570 -0.091 0.000 2.379 469 I HA -0.008 4.162 4.170 0.001 0.000 0.290 469 I C 0.433 176.506 176.117 -0.073 0.000 1.063 469 I CA -0.143 61.090 61.300 -0.111 0.000 1.351 469 I CB 0.679 38.570 38.000 -0.182 0.000 1.410 469 I HN -0.281 nan 8.210 nan 0.000 0.505 470 D N 6.806 127.181 120.400 -0.042 0.000 2.359 470 D HA 0.140 4.780 4.640 0.001 0.000 0.230 470 D C 0.539 176.860 176.300 0.035 0.000 1.118 470 D CA -0.408 53.596 54.000 0.006 0.000 0.844 470 D CB 1.587 42.392 40.800 0.009 0.000 1.059 470 D HN 0.270 nan 8.370 nan 0.000 0.493 471 L N 2.739 124.028 121.223 0.111 0.000 2.395 471 L HA 0.006 4.347 4.340 0.001 0.000 0.218 471 L C 1.181 178.236 176.870 0.307 0.000 1.130 471 L CA 0.550 55.540 54.840 0.250 0.000 0.826 471 L CB -0.989 41.292 42.059 0.369 0.000 0.941 471 L HN 0.383 nan 8.230 nan 0.000 0.451 472 S N 1.085 116.895 115.700 0.185 0.000 2.560 472 S HA 0.196 4.667 4.470 0.001 0.000 0.284 472 S C -2.315 172.354 174.600 0.115 0.000 1.327 472 S CA -1.080 57.200 58.200 0.134 0.000 1.055 472 S CB 0.040 63.285 63.200 0.075 0.000 0.868 472 S HN 0.093 nan 8.310 nan 0.000 0.506 473 P HA 0.153 nan 4.420 nan 0.000 0.271 473 P C 0.923 178.193 177.300 -0.050 0.000 1.218 473 P CA -0.484 62.659 63.100 0.072 0.000 0.780 473 P CB 0.401 32.157 31.700 0.094 0.000 0.901 474 I N -1.324 119.170 120.570 -0.126 0.000 3.226 474 I HA 0.175 4.346 4.170 0.001 0.000 0.277 474 I C 0.336 176.083 176.117 -0.618 0.000 1.243 474 I CA 0.629 61.744 61.300 -0.307 0.000 1.459 474 I CB -0.359 37.464 38.000 -0.294 0.000 1.093 474 I HN 0.215 nan 8.210 nan 0.000 0.453 475 H N 1.610 120.623 119.070 -0.095 0.000 2.996 475 H HA 0.606 5.163 4.556 0.001 0.000 0.368 475 H C -1.152 174.111 175.328 -0.109 0.000 1.185 475 H CA -0.799 55.173 56.048 -0.127 0.000 1.160 475 H CB 2.586 32.207 29.762 -0.236 0.000 1.820 475 H HN 0.009 nan 8.280 nan 0.000 0.547 476 I N 1.402 121.993 120.570 0.036 0.000 2.478 476 I HA 0.505 4.676 4.170 0.001 0.000 0.287 476 I C 0.464 176.555 176.117 -0.043 0.000 1.042 476 I CA -0.318 60.964 61.300 -0.030 0.000 1.067 476 I CB 2.060 40.028 38.000 -0.053 0.000 1.233 476 I HN 0.793 nan 8.210 nan 0.000 0.431 477 G N 4.054 112.818 108.800 -0.061 0.000 3.504 477 G HA2 0.020 3.980 3.960 0.001 0.000 0.157 477 G HA3 0.020 3.980 3.960 0.001 0.000 0.157 477 G C 0.294 175.176 174.900 -0.029 0.000 1.245 477 G CA -0.083 44.992 45.100 -0.042 0.000 1.410 477 G HN 0.412 nan 8.290 nan 0.000 0.731 478 F N 2.341 122.206 119.950 -0.143 0.000 2.043 478 F HA 0.237 4.764 4.527 0.001 0.000 0.297 478 F C 1.482 177.131 175.800 -0.251 0.000 1.121 478 F CA 2.363 60.272 58.000 -0.151 0.000 1.199 478 F CB -0.141 38.786 39.000 -0.121 0.000 0.968 478 F HN 0.478 nan 8.300 nan 0.000 0.478 479 G N -1.785 106.891 108.800 -0.207 0.000 2.788 479 G HA2 0.435 4.396 3.960 0.001 0.000 0.293 479 G HA3 0.435 4.396 3.960 0.001 0.000 0.293 479 G C -1.876 172.920 174.900 -0.173 0.000 1.305 479 G CA -0.531 44.368 45.100 -0.334 0.000 1.005 479 G HN 0.186 nan 8.290 nan 0.000 0.496 480 C N 1.101 120.386 119.300 -0.025 0.000 2.255 480 C HA 0.500 4.961 4.460 0.001 0.000 0.326 480 C C -0.184 174.913 174.990 0.179 0.000 1.258 480 C CA -0.784 58.270 59.018 0.060 0.000 1.676 480 C CB -0.685 27.097 27.740 0.070 0.000 2.314 480 C HN 0.377 nan 8.230 nan 0.000 0.509 481 I N 6.920 127.546 120.570 0.092 0.000 2.304 481 I HA 0.303 4.473 4.170 0.001 0.000 0.291 481 I C -1.748 174.347 176.117 -0.035 0.000 1.018 481 I CA -3.151 58.194 61.300 0.075 0.000 1.260 481 I CB 0.654 38.665 38.000 0.018 0.000 1.390 481 I HN 0.350 nan 8.210 nan 0.000 0.475 482 P HA 0.188 nan 4.420 nan 0.000 0.269 482 P C -2.596 174.567 177.300 -0.228 0.000 1.215 482 P CA -1.239 61.501 63.100 -0.599 0.000 0.780 482 P CB -0.379 30.739 31.700 -0.970 0.000 0.898 483 P HA 0.141 nan 4.420 nan 0.000 0.269 483 P C -0.002 177.318 177.300 0.033 0.000 1.209 483 P CA 0.119 63.188 63.100 -0.051 0.000 0.776 483 P CB 0.497 32.176 31.700 -0.036 0.000 0.876 484 R N 1.899 122.414 120.500 0.025 0.000 2.590 484 R HA 0.321 4.661 4.340 0.001 0.000 0.274 484 R C -0.056 176.292 176.300 0.080 0.000 1.061 484 R CA 0.505 56.601 56.100 -0.007 0.000 1.081 484 R CB -0.129 30.154 30.300 -0.028 0.000 0.984 484 R HN 0.617 nan 8.270 nan 0.000 0.448 485 Y N -1.962 118.266 120.300 -0.120 0.000 2.677 485 Y HA 0.506 5.056 4.550 0.001 0.000 0.334 485 Y C -1.557 174.248 175.900 -0.159 0.000 1.196 485 Y CA -1.456 56.569 58.100 -0.124 0.000 1.059 485 Y CB 1.414 39.797 38.460 -0.128 0.000 1.315 485 Y HN 0.277 nan 8.280 nan 0.000 0.455 486 K N 2.200 122.557 120.400 -0.072 0.000 2.318 486 K HA 0.738 5.058 4.320 0.001 0.000 0.249 486 K C -1.620 174.925 176.600 -0.091 0.000 0.942 486 K CA -1.016 55.143 56.287 -0.212 0.000 0.808 486 K CB 2.354 34.774 32.500 -0.133 0.000 1.189 486 K HN 0.638 nan 8.250 nan 0.000 0.428 487 L N -1.686 119.344 121.223 -0.321 0.000 2.322 487 L HA 0.680 5.020 4.340 0.001 0.000 0.252 487 L C -0.895 175.864 176.870 -0.184 0.000 1.055 487 L CA -1.221 53.507 54.840 -0.187 0.000 0.849 487 L CB 0.132 42.135 42.059 -0.093 0.000 1.446 487 L HN 0.599 nan 8.230 nan 0.000 0.416 488 C N 0.576 119.896 119.300 0.033 0.000 2.435 488 C HA 0.890 5.350 4.460 0.001 0.000 0.333 488 C C 0.221 175.346 174.990 0.225 0.000 1.202 488 C CA -0.708 58.430 59.018 0.199 0.000 1.830 488 C CB 1.285 29.118 27.740 0.155 0.000 2.326 488 C HN 0.742 nan 8.230 nan 0.000 0.507 489 V N 1.550 121.646 119.914 0.304 0.000 2.448 489 V HA 0.675 4.795 4.120 0.001 0.000 0.295 489 V C -0.786 175.505 176.094 0.328 0.000 1.025 489 V CA -0.391 62.050 62.300 0.235 0.000 0.859 489 V CB 1.244 33.045 31.823 -0.036 0.000 0.988 489 V HN 0.651 nan 8.190 nan 0.000 0.431 490 I N 5.244 126.039 120.570 0.376 0.000 2.382 490 I HA 0.506 4.677 4.170 0.001 0.000 0.286 490 I C -2.517 173.762 176.117 0.269 0.000 1.002 490 I CA -2.684 58.786 61.300 0.283 0.000 1.135 490 I CB 1.485 39.581 38.000 0.160 0.000 1.288 490 I HN 0.445 nan 8.210 nan 0.000 0.448 491 P HA 0.149 nan 4.420 nan 0.000 0.262 491 P C 0.497 177.733 177.300 -0.107 0.000 1.182 491 P CA 0.149 63.186 63.100 -0.105 0.000 0.761 491 P CB 0.530 32.191 31.700 -0.066 0.000 0.795 492 R N 1.548 121.934 120.500 -0.191 0.000 2.280 492 R HA 0.140 4.481 4.340 0.001 0.000 0.195 492 R C 0.555 176.774 176.300 -0.136 0.000 0.935 492 R CA 0.035 56.046 56.100 -0.148 0.000 1.033 492 R CB -0.109 30.089 30.300 -0.170 0.000 0.964 492 R HN 0.466 nan 8.270 nan 0.000 0.489 493 S N 0.000 115.606 115.700 -0.157 0.000 2.498 493 S HA 0.000 4.471 4.470 0.001 0.000 0.327 493 S CA 0.000 58.154 58.200 -0.076 0.000 1.107 493 S CB 0.000 63.166 63.200 -0.057 0.000 0.593 493 S HN 0.000 nan 8.310 nan 0.000 0.517