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 3ede_1_A DATA FIRST_RESID 3 DATA SEQUENCE PTAIEHMEPP FWWAGMQHKG LQLMVHGRDI GRMEAALDYP GVRLVSPTRV DATA SEQUENCE PNANYLFVDL EIGPEAQPGS FDIVFKGDGR SERYRYRLLA REQGSAQRQG DATA SEQUENCE FGPGDAIYQI MPDRFANGDP SNDNVAGMRE QADRRHGGGR HGGDIRGTID DATA SEQUENCE HLDYIAGLGF TQLWPTPLVE NDAAAYSYHG YAATDHYRID PRYGSNEDFV DATA SEQUENCE RLSTEARKRG MGLIQDVVLS HIGKHHWWMK DLPTPDWINY GGKFVPTQHH DATA SEQUENCE RVAVQDPYAA QADSENFTKG WFVEGMPDLN QTNPLVANYL IQNNIWWIEY DATA SEQUENCE AGLSGLRIDT YGYSDGAFLT EYTRRLMAEY PRLNMVGEEW STRVPVVARW DATA SEQUENCE QRGKANFDGY TSHLPSLMDF PLVDAMRNAL SKTGEENGLN EVYETLSLDY DATA SEQUENCE LYPEPQNLVL FGGNHDMARM FSAAGEDFDR WRMNLVFLMT MPRIPQFYSG DATA SEQUENCE DEILMTSTVK GRDDASYRRD FPGGWAGDKA NAFSGAGLTS QQRAAQDLVR DATA SEQUENCE KLANWRKNQP VIHNGRLMHF GPEENTWVYF RYNKDKRIMV AMNNNDKPMT DATA SEQUENCE LPTARFQEML KGAPSGVDFL SGKTVGLGRE LRLAPKSVVV IELPGLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.212 177.300 -0.147 0.000 1.155 3 P CA 0.000 63.034 63.100 -0.110 0.000 0.800 3 P CB 0.000 31.624 31.700 -0.127 0.000 0.726 4 T N 0.509 114.966 114.554 -0.163 0.000 2.923 4 T HA 0.235 4.585 4.350 0.000 0.000 0.320 4 T C 1.473 176.050 174.700 -0.205 0.000 1.074 4 T CA 0.904 62.900 62.100 -0.173 0.000 1.131 4 T CB 0.287 69.040 68.868 -0.192 0.000 1.058 4 T HN 0.583 nan 8.240 nan 0.000 0.535 5 A N 3.940 126.663 122.820 -0.162 0.000 1.953 5 A HA -0.073 4.247 4.320 0.000 0.000 0.212 5 A C 0.957 178.409 177.584 -0.220 0.000 1.250 5 A CA 1.164 53.107 52.037 -0.156 0.000 0.726 5 A CB -0.446 18.492 19.000 -0.103 0.000 0.837 5 A HN 0.685 nan 8.150 nan 0.000 0.481 6 I N 0.119 120.571 120.570 -0.197 0.000 2.307 6 I HA 0.250 4.420 4.170 0.000 0.000 0.289 6 I C 0.997 176.954 176.117 -0.267 0.000 1.021 6 I CA 0.108 61.259 61.300 -0.247 0.000 1.224 6 I CB 0.720 38.623 38.000 -0.161 0.000 1.376 6 I HN 0.726 nan 8.210 nan 0.000 0.470 7 E N 5.250 125.222 120.200 -0.380 0.000 2.140 7 E HA 0.032 4.382 4.350 0.000 0.000 0.191 7 E C -0.156 176.024 176.600 -0.700 0.000 0.973 7 E CA 0.791 56.891 56.400 -0.501 0.000 0.829 7 E CB 0.510 29.900 29.700 -0.516 0.000 0.781 7 E HN 0.544 nan 8.360 nan 0.000 0.466 8 H N -0.521 118.412 119.070 -0.229 0.000 2.771 8 H HA 0.345 4.901 4.556 -0.000 0.000 0.361 8 H C -1.288 173.937 175.328 -0.171 0.000 1.108 8 H CA -0.821 55.112 56.048 -0.191 0.000 1.201 8 H CB 1.680 31.320 29.762 -0.203 0.000 1.681 8 H HN 0.058 nan 8.280 nan 0.000 0.534 9 M N 2.717 122.242 119.600 -0.125 0.000 2.142 9 M HA 0.295 4.775 4.480 0.000 0.000 0.299 9 M C -1.446 174.671 176.300 -0.305 0.000 0.960 9 M CA -0.033 55.090 55.300 -0.294 0.000 0.920 9 M CB 1.175 33.322 32.600 -0.755 0.000 1.541 9 M HN 0.516 nan 8.290 nan 0.000 0.429 10 E N 6.558 126.613 120.200 -0.241 0.000 2.260 10 E HA 0.479 4.829 4.350 0.000 0.000 0.266 10 E C -2.690 173.757 176.600 -0.255 0.000 0.887 10 E CA -1.992 54.142 56.400 -0.442 0.000 0.777 10 E CB 1.955 31.524 29.700 -0.219 0.000 1.205 10 E HN 0.430 nan 8.360 nan 0.000 0.414 11 P HA 0.064 nan 4.420 nan 0.000 0.272 11 P C -2.122 174.906 177.300 -0.454 0.000 1.223 11 P CA -1.307 61.400 63.100 -0.655 0.000 0.784 11 P CB 0.606 32.253 31.700 -0.089 0.000 0.923 12 P HA 0.009 nan 4.420 nan 0.000 0.229 12 P C -0.086 177.077 177.300 -0.228 0.000 1.160 12 P CA 1.159 64.062 63.100 -0.327 0.000 0.777 12 P CB -0.055 31.478 31.700 -0.279 0.000 0.814 13 F N -4.727 115.097 119.950 -0.211 0.000 2.779 13 F HA 0.683 5.210 4.527 -0.000 0.000 0.316 13 F C -0.919 174.936 175.800 0.092 0.000 1.164 13 F CA -1.552 56.162 58.000 -0.477 0.000 0.924 13 F CB 0.569 39.297 39.000 -0.452 0.000 1.348 13 F HN -0.161 nan 8.300 nan 0.000 0.467 14 W N 0.267 121.555 121.300 -0.019 0.000 3.483 14 W HA 0.537 5.197 4.660 -0.000 0.000 0.378 14 W C -1.878 174.481 176.519 -0.266 0.000 1.097 14 W CA -0.871 56.492 57.345 0.030 0.000 1.075 14 W CB 1.837 31.559 29.460 0.437 0.000 1.534 14 W HN 0.556 nan 8.180 nan 0.000 0.610 15 W N 1.341 122.687 121.300 0.077 0.000 2.936 15 W HA 0.547 5.207 4.660 -0.000 0.000 0.338 15 W C -0.268 176.351 176.519 0.166 0.000 1.121 15 W CA -0.868 56.502 57.345 0.040 0.000 1.209 15 W CB 1.464 30.823 29.460 -0.167 0.000 1.420 15 W HN 0.367 nan 8.180 nan 0.000 0.516 16 A N 0.671 123.715 122.820 0.373 0.000 2.371 16 A HA 0.560 4.880 4.320 0.000 0.000 0.257 16 A C 0.931 178.665 177.584 0.249 0.000 1.089 16 A CA 0.869 53.092 52.037 0.310 0.000 0.794 16 A CB -0.045 19.110 19.000 0.258 0.000 1.029 16 A HN 1.526 nan 8.150 nan 0.000 0.488 17 G N 0.816 109.738 108.800 0.204 0.000 2.160 17 G HA2 -0.169 3.791 3.960 0.000 0.000 0.244 17 G HA3 -0.169 3.791 3.960 0.000 0.000 0.244 17 G C 0.180 175.137 174.900 0.095 0.000 1.022 17 G CA 0.333 45.512 45.100 0.132 0.000 0.741 17 G HN 0.567 nan 8.290 nan 0.000 0.508 18 M N -0.637 119.045 119.600 0.136 0.000 2.198 18 M HA 0.283 4.763 4.480 0.000 0.000 0.315 18 M C 1.544 177.892 176.300 0.080 0.000 1.134 18 M CA -0.170 55.179 55.300 0.082 0.000 1.171 18 M CB 0.622 33.334 32.600 0.186 0.000 1.413 18 M HN 0.216 nan 8.290 nan 0.000 0.467 19 Q N 0.917 120.732 119.800 0.025 0.000 2.046 19 Q HA -0.097 4.243 4.340 0.000 0.000 0.200 19 Q C 0.152 176.211 176.000 0.098 0.000 0.975 19 Q CA 1.721 57.540 55.803 0.026 0.000 0.836 19 Q CB -0.137 28.576 28.738 -0.041 0.000 0.896 19 Q HN 0.636 nan 8.270 nan 0.000 0.428 20 H N 0.272 119.379 119.070 0.062 0.000 2.620 20 H HA 0.184 4.740 4.556 0.000 0.000 0.313 20 H C 0.363 175.782 175.328 0.152 0.000 1.075 20 H CA -0.331 55.771 56.048 0.090 0.000 1.397 20 H CB 0.829 30.649 29.762 0.097 0.000 1.446 20 H HN -0.060 nan 8.280 nan 0.000 0.493 21 K N 3.212 123.476 120.400 -0.227 0.000 2.167 21 K HA 0.097 4.417 4.320 0.000 0.000 0.203 21 K C 0.993 177.580 176.600 -0.022 0.000 1.052 21 K CA 0.701 56.954 56.287 -0.058 0.000 0.956 21 K CB -0.172 32.281 32.500 -0.078 0.000 0.735 21 K HN 0.744 nan 8.250 nan 0.000 0.451 22 G N 1.702 110.386 108.800 -0.195 0.000 2.441 22 G HA2 0.327 4.287 3.960 0.000 0.000 0.243 22 G HA3 0.327 4.287 3.960 0.000 0.000 0.243 22 G C -0.909 174.060 174.900 0.116 0.000 1.281 22 G CA -0.231 44.875 45.100 0.011 0.000 0.854 22 G HN 0.145 nan 8.290 nan 0.000 0.560 23 L N 0.740 121.953 121.223 -0.017 0.000 2.476 23 L HA 0.491 4.831 4.340 0.000 0.000 0.269 23 L C -0.518 176.274 176.870 -0.130 0.000 0.965 23 L CA -0.662 54.057 54.840 -0.201 0.000 0.845 23 L CB 2.305 44.131 42.059 -0.387 0.000 1.259 23 L HN 0.592 nan 8.230 nan 0.000 0.403 24 Q N 4.918 124.657 119.800 -0.103 0.000 2.372 24 Q HA 0.590 4.930 4.340 0.000 0.000 0.259 24 Q C -1.639 174.372 176.000 0.017 0.000 0.993 24 Q CA -0.567 55.246 55.803 0.017 0.000 0.854 24 Q CB 1.150 29.958 28.738 0.116 0.000 1.231 24 Q HN 0.777 nan 8.270 nan 0.000 0.462 25 L N 4.155 125.380 121.223 0.002 0.000 2.292 25 L HA 0.447 4.787 4.340 0.000 0.000 0.284 25 L C -0.003 176.883 176.870 0.027 0.000 1.065 25 L CA -0.363 54.461 54.840 -0.027 0.000 0.806 25 L CB 1.163 43.156 42.059 -0.111 0.000 1.175 25 L HN 0.628 nan 8.230 nan 0.000 0.431 26 M N 4.472 124.083 119.600 0.018 0.000 2.061 26 M HA 0.436 4.916 4.480 0.000 0.000 0.346 26 M C -1.304 174.928 176.300 -0.114 0.000 1.112 26 M CA -0.513 54.693 55.300 -0.155 0.000 1.021 26 M CB 1.040 33.715 32.600 0.126 0.000 1.530 26 M HN 0.321 nan 8.290 nan 0.000 0.437 27 V N 4.338 124.122 119.914 -0.217 0.000 2.459 27 V HA 0.435 4.555 4.120 0.000 0.000 0.295 27 V C -0.896 175.122 176.094 -0.126 0.000 1.029 27 V CA -0.684 61.505 62.300 -0.184 0.000 0.874 27 V CB 1.443 33.087 31.823 -0.298 0.000 0.985 27 V HN 0.846 nan 8.190 nan 0.000 0.438 28 H N 2.193 121.135 119.070 -0.214 0.000 2.689 28 H HA 0.814 5.370 4.556 0.000 0.000 0.346 28 H C -0.282 174.846 175.328 -0.334 0.000 1.037 28 H CA 0.254 56.106 56.048 -0.326 0.000 1.234 28 H CB 1.802 31.483 29.762 -0.135 0.000 1.572 28 H HN 1.002 nan 8.280 nan 0.000 0.524 29 G N 3.542 111.839 108.800 -0.838 0.000 2.411 29 G HA2 0.173 4.133 3.960 0.000 0.000 0.295 29 G HA3 0.173 4.133 3.960 0.000 0.000 0.295 29 G C -1.491 173.115 174.900 -0.491 0.000 1.542 29 G CA -1.291 43.391 45.100 -0.697 0.000 0.814 29 G HN 0.772 nan 8.290 nan 0.000 0.557 30 R N 1.149 121.431 120.500 -0.363 0.000 2.486 30 R HA 0.162 4.502 4.340 0.000 0.000 0.303 30 R C 0.070 176.267 176.300 -0.171 0.000 0.958 30 R CA 1.109 57.077 56.100 -0.221 0.000 1.077 30 R CB -0.098 30.108 30.300 -0.157 0.000 0.921 30 R HN 0.612 nan 8.270 nan 0.000 0.406 31 D N 2.968 123.293 120.400 -0.126 0.000 3.070 31 D HA -0.272 4.368 4.640 0.000 0.000 0.220 31 D C 1.030 177.274 176.300 -0.092 0.000 1.176 31 D CA 0.979 54.931 54.000 -0.080 0.000 0.924 31 D CB -0.462 40.306 40.800 -0.053 0.000 1.124 31 D HN 0.577 nan 8.370 nan 0.000 0.411 32 I N 0.637 121.111 120.570 -0.160 0.000 2.335 32 I HA -0.165 4.005 4.170 0.000 0.000 0.251 32 I C 2.418 178.480 176.117 -0.092 0.000 1.129 32 I CA 2.123 63.308 61.300 -0.191 0.000 1.402 32 I CB -0.811 36.984 38.000 -0.342 0.000 1.069 32 I HN 0.170 nan 8.210 nan 0.000 0.424 33 G N -0.017 108.757 108.800 -0.043 0.000 2.509 33 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 33 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 33 G C 1.752 176.677 174.900 0.042 0.000 1.124 33 G CA 0.010 45.129 45.100 0.031 0.000 0.776 33 G HN 0.351 nan 8.290 nan 0.000 0.547 34 R N -0.600 119.912 120.500 0.020 0.000 2.313 34 R HA 0.271 4.611 4.340 0.000 0.000 0.199 34 R C 0.679 177.005 176.300 0.043 0.000 0.958 34 R CA -0.036 56.081 56.100 0.029 0.000 1.047 34 R CB -0.007 30.302 30.300 0.014 0.000 0.955 34 R HN 0.361 nan 8.270 nan 0.000 0.481 35 M N -0.399 119.237 119.600 0.060 0.000 2.613 35 M HA 0.286 4.766 4.480 0.000 0.000 0.301 35 M C -0.394 175.987 176.300 0.135 0.000 1.205 35 M CA -0.530 54.832 55.300 0.104 0.000 0.950 35 M CB 1.623 34.309 32.600 0.144 0.000 1.585 35 M HN -0.189 nan 8.290 nan 0.000 0.490 36 E N 0.570 120.850 120.200 0.134 0.000 2.187 36 E HA 0.615 4.965 4.350 0.000 0.000 0.268 36 E C -1.444 175.204 176.600 0.079 0.000 0.896 36 E CA -0.535 55.928 56.400 0.104 0.000 0.766 36 E CB 1.890 31.625 29.700 0.057 0.000 1.142 36 E HN 0.744 nan 8.360 nan 0.000 0.408 37 A N 2.820 125.663 122.820 0.037 0.000 2.302 37 A HA 0.798 5.118 4.320 0.000 0.000 0.285 37 A C -0.639 176.850 177.584 -0.158 0.000 1.105 37 A CA 0.119 52.039 52.037 -0.194 0.000 0.816 37 A CB 1.036 19.912 19.000 -0.208 0.000 1.067 37 A HN 0.653 nan 8.150 nan 0.000 0.489 38 A N 0.780 123.463 122.820 -0.229 0.000 2.549 38 A HA 0.746 5.066 4.320 0.000 0.000 0.297 38 A C -0.998 176.524 177.584 -0.103 0.000 1.061 38 A CA -0.324 51.641 52.037 -0.120 0.000 0.690 38 A CB 1.043 19.998 19.000 -0.075 0.000 1.287 38 A HN 2.184 nan 8.150 nan 0.000 0.402 39 L N -1.369 119.826 121.223 -0.046 0.000 2.671 39 L HA 0.973 5.313 4.340 0.000 0.000 0.259 39 L C -1.292 175.570 176.870 -0.013 0.000 1.021 39 L CA -0.544 54.301 54.840 0.008 0.000 0.871 39 L CB 2.159 44.248 42.059 0.050 0.000 1.472 39 L HN 0.498 nan 8.230 nan 0.000 0.410 40 D N 0.223 120.631 120.400 0.014 0.000 2.386 40 D HA 0.523 5.163 4.640 0.000 0.000 0.247 40 D C -2.142 174.181 176.300 0.039 0.000 1.336 40 D CA 0.137 54.138 54.000 0.001 0.000 0.976 40 D CB 0.966 41.779 40.800 0.021 0.000 1.257 40 D HN 0.677 nan 8.370 nan 0.000 0.570 41 Y N 2.999 123.149 120.300 -0.250 0.000 2.442 41 Y HA 0.463 5.013 4.550 0.000 0.000 0.330 41 Y C -2.670 173.108 175.900 -0.204 0.000 1.100 41 Y CA -1.988 55.950 58.100 -0.270 0.000 1.034 41 Y CB 2.000 40.063 38.460 -0.661 0.000 1.285 41 Y HN 0.185 nan 8.280 nan 0.000 0.440 42 P HA 0.299 nan 4.420 nan 0.000 0.267 42 P C 0.520 177.685 177.300 -0.225 0.000 1.205 42 P CA 1.754 64.666 63.100 -0.312 0.000 0.765 42 P CB 0.866 32.371 31.700 -0.325 0.000 0.828 43 G N 1.360 110.102 108.800 -0.097 0.000 2.234 43 G HA2 -0.196 3.764 3.960 0.000 0.000 0.235 43 G HA3 -0.196 3.764 3.960 0.000 0.000 0.235 43 G C -0.073 174.837 174.900 0.018 0.000 0.997 43 G CA -0.120 44.968 45.100 -0.020 0.000 0.623 43 G HN 0.541 nan 8.290 nan 0.000 0.514 44 V N 1.692 121.604 119.914 -0.004 0.000 2.398 44 V HA 0.666 4.786 4.120 0.000 0.000 0.286 44 V C 0.532 176.584 176.094 -0.071 0.000 1.026 44 V CA -0.610 61.668 62.300 -0.037 0.000 0.868 44 V CB 1.569 33.290 31.823 -0.170 0.000 0.982 44 V HN 0.474 nan 8.190 nan 0.000 0.443 45 R N 5.060 125.534 120.500 -0.043 0.000 2.387 45 R HA 0.468 4.808 4.340 0.000 0.000 0.314 45 R C -1.043 175.235 176.300 -0.035 0.000 0.958 45 R CA -0.754 55.322 56.100 -0.040 0.000 0.846 45 R CB 1.261 31.546 30.300 -0.025 0.000 1.147 45 R HN 0.634 nan 8.270 nan 0.000 0.447 46 L N 7.156 128.356 121.223 -0.038 0.000 2.315 46 L HA 0.126 4.466 4.340 0.000 0.000 0.283 46 L C 0.469 177.333 176.870 -0.011 0.000 1.089 46 L CA 0.393 55.218 54.840 -0.026 0.000 0.833 46 L CB 1.495 43.534 42.059 -0.033 0.000 1.170 46 L HN 0.697 nan 8.230 nan 0.000 0.442 47 V N 4.140 124.054 119.914 -0.000 0.000 2.453 47 V HA -0.070 4.050 4.120 0.000 0.000 0.247 47 V C 0.857 176.960 176.094 0.014 0.000 1.048 47 V CA 1.276 63.581 62.300 0.007 0.000 1.049 47 V CB -0.600 31.231 31.823 0.013 0.000 0.672 47 V HN 1.102 nan 8.190 nan 0.000 0.457 48 S N -1.954 113.759 115.700 0.022 0.000 2.707 48 S HA -0.029 4.441 4.470 0.000 0.000 0.850 48 S C -2.831 171.795 174.600 0.043 0.000 0.806 48 S CA -1.254 56.962 58.200 0.028 0.000 1.560 48 S CB -1.774 61.438 63.200 0.019 0.000 1.124 48 S HN 0.211 nan 8.310 nan 0.000 0.215 49 P HA 0.298 nan 4.420 nan 0.000 0.264 49 P C -0.280 177.060 177.300 0.067 0.000 1.183 49 P CA 0.235 63.381 63.100 0.076 0.000 0.763 49 P CB 0.313 32.061 31.700 0.079 0.000 0.807 50 T N 3.219 117.820 114.554 0.080 0.000 2.874 50 T HA 0.346 4.696 4.350 0.000 0.000 0.321 50 T C 0.224 174.975 174.700 0.084 0.000 1.075 50 T CA -0.828 61.308 62.100 0.059 0.000 0.966 50 T CB 0.267 69.155 68.868 0.033 0.000 1.001 50 T HN 0.362 nan 8.240 nan 0.000 0.476 51 R N 1.662 122.207 120.500 0.076 0.000 2.641 51 R HA 0.571 4.911 4.340 0.000 0.000 0.269 51 R C -0.112 176.243 176.300 0.092 0.000 1.074 51 R CA -0.742 55.416 56.100 0.097 0.000 1.133 51 R CB 0.150 30.495 30.300 0.075 0.000 1.029 51 R HN 0.361 nan 8.270 nan 0.000 0.488 52 V N -0.888 119.105 119.914 0.132 0.000 2.667 52 V HA 0.449 4.569 4.120 0.000 0.000 0.308 52 V C -1.950 174.200 176.094 0.094 0.000 1.048 52 V CA -2.287 60.078 62.300 0.109 0.000 0.928 52 V CB 1.646 33.568 31.823 0.166 0.000 1.004 52 V HN 0.702 nan 8.190 nan 0.000 0.444 53 P HA -0.115 nan 4.420 nan 0.000 0.217 53 P C 0.463 177.807 177.300 0.073 0.000 1.148 53 P CA 1.131 64.265 63.100 0.056 0.000 0.828 53 P CB -0.040 31.683 31.700 0.038 0.000 0.783 54 N N 0.116 118.874 118.700 0.096 0.000 2.416 54 N HA 0.104 4.844 4.740 0.000 0.000 0.265 54 N C 0.998 176.602 175.510 0.157 0.000 1.195 54 N CA 0.186 53.319 53.050 0.139 0.000 0.943 54 N CB 0.625 39.227 38.487 0.192 0.000 1.115 54 N HN -0.098 nan 8.380 nan 0.000 0.481 55 A N 4.085 126.966 122.820 0.101 0.000 2.178 55 A HA -0.116 4.204 4.320 0.000 0.000 0.218 55 A C 1.308 178.906 177.584 0.023 0.000 1.157 55 A CA 0.930 53.002 52.037 0.059 0.000 0.689 55 A CB -0.106 18.913 19.000 0.032 0.000 0.787 55 A HN 0.696 nan 8.150 nan 0.000 0.465 56 N N -1.356 117.370 118.700 0.043 0.000 2.336 56 N HA 0.151 4.891 4.740 0.000 0.000 0.189 56 N C -1.009 174.302 175.510 -0.332 0.000 1.113 56 N CA 0.409 53.374 53.050 -0.142 0.000 0.858 56 N CB 0.077 38.476 38.487 -0.146 0.000 0.970 56 N HN 0.583 nan 8.380 nan 0.000 0.471 57 Y N -0.289 120.005 120.300 -0.010 0.000 2.512 57 Y HA 0.536 5.086 4.550 -0.000 0.000 0.348 57 Y C -0.627 175.207 175.900 -0.110 0.000 0.990 57 Y CA -1.169 56.876 58.100 -0.091 0.000 1.033 57 Y CB 2.058 40.432 38.460 -0.142 0.000 1.259 57 Y HN -0.232 nan 8.280 nan 0.000 0.461 58 L N 3.081 124.259 121.223 -0.074 0.000 2.410 58 L HA 0.636 4.976 4.340 0.000 0.000 0.270 58 L C -1.996 174.771 176.870 -0.172 0.000 0.983 58 L CA -0.783 54.043 54.840 -0.023 0.000 0.822 58 L CB 0.935 42.990 42.059 -0.007 0.000 1.285 58 L HN 0.439 nan 8.230 nan 0.000 0.409 59 F N 4.761 124.775 119.950 0.107 0.000 2.404 59 F HA 0.572 5.099 4.527 -0.000 0.000 0.354 59 F C 0.037 175.889 175.800 0.086 0.000 1.122 59 F CA -0.641 57.418 58.000 0.098 0.000 1.080 59 F CB 1.682 40.737 39.000 0.090 0.000 1.131 59 F HN 0.088 nan 8.300 nan 0.000 0.471 60 V N 3.648 123.677 119.914 0.191 0.000 2.357 60 V HA 0.254 4.374 4.120 0.000 0.000 0.284 60 V C -0.570 175.573 176.094 0.081 0.000 1.018 60 V CA -0.911 61.464 62.300 0.125 0.000 0.841 60 V CB 1.252 33.137 31.823 0.102 0.000 0.991 60 V HN 0.545 nan 8.190 nan 0.000 0.437 61 D N 5.437 125.881 120.400 0.073 0.000 2.313 61 D HA 0.498 5.138 4.640 0.000 0.000 0.239 61 D C -0.527 175.779 176.300 0.010 0.000 1.142 61 D CA -0.208 53.819 54.000 0.045 0.000 0.847 61 D CB 2.082 42.915 40.800 0.054 0.000 1.082 61 D HN 0.160 nan 8.370 nan 0.000 0.480 62 L N 1.850 123.065 121.223 -0.014 0.000 2.334 62 L HA 0.389 4.729 4.340 0.000 0.000 0.273 62 L C 0.225 177.090 176.870 -0.007 0.000 1.013 62 L CA -0.881 53.947 54.840 -0.021 0.000 0.816 62 L CB 1.467 43.500 42.059 -0.043 0.000 1.278 62 L HN 0.224 nan 8.230 nan 0.000 0.431 63 E N 1.998 122.196 120.200 -0.003 0.000 2.145 63 E HA 0.515 4.865 4.350 0.000 0.000 0.262 63 E C -1.324 175.293 176.600 0.028 0.000 0.883 63 E CA -0.131 56.270 56.400 0.002 0.000 0.748 63 E CB 0.820 30.513 29.700 -0.012 0.000 1.140 63 E HN 0.477 nan 8.360 nan 0.000 0.417 64 I N 4.779 125.391 120.570 0.070 0.000 2.307 64 I HA 0.364 4.534 4.170 0.000 0.000 0.287 64 I C 0.926 177.108 176.117 0.108 0.000 1.054 64 I CA -0.711 60.666 61.300 0.128 0.000 1.218 64 I CB 1.209 39.353 38.000 0.241 0.000 1.398 64 I HN 0.602 nan 8.210 nan 0.000 0.475 65 G N 6.975 115.820 108.800 0.075 0.000 2.594 65 G HA2 0.167 4.127 3.960 0.000 0.000 0.243 65 G HA3 0.167 4.127 3.960 0.000 0.000 0.243 65 G C -1.314 173.630 174.900 0.073 0.000 1.229 65 G CA -0.865 44.266 45.100 0.053 0.000 0.843 65 G HN 0.436 nan 8.290 nan 0.000 0.578 66 P HA -0.113 nan 4.420 nan 0.000 0.225 66 P C 1.321 178.655 177.300 0.057 0.000 1.148 66 P CA 1.108 64.243 63.100 0.058 0.000 0.779 66 P CB 0.255 31.977 31.700 0.037 0.000 0.780 67 E N 0.291 120.516 120.200 0.042 0.000 2.435 67 E HA 0.025 4.375 4.350 0.000 0.000 0.195 67 E C 0.647 177.270 176.600 0.039 0.000 1.029 67 E CA 0.016 56.433 56.400 0.028 0.000 0.865 67 E CB -0.662 29.040 29.700 0.004 0.000 0.833 67 E HN 0.049 nan 8.360 nan 0.000 0.510 68 A N 1.396 124.266 122.820 0.083 0.000 2.488 68 A HA 0.204 4.524 4.320 0.000 0.000 0.249 68 A C -0.025 177.673 177.584 0.190 0.000 1.083 68 A CA -0.171 51.954 52.037 0.146 0.000 0.768 68 A CB 0.355 19.497 19.000 0.237 0.000 1.017 68 A HN 0.173 nan 8.150 nan 0.000 0.496 69 Q N 1.534 121.462 119.800 0.213 0.000 2.215 69 Q HA 0.548 4.888 4.340 0.000 0.000 0.256 69 Q C -2.558 173.640 176.000 0.329 0.000 0.972 69 Q CA -1.877 54.052 55.803 0.210 0.000 0.889 69 Q CB 1.097 29.905 28.738 0.116 0.000 1.281 69 Q HN 0.495 nan 8.270 nan 0.000 0.456 70 P HA 0.292 nan 4.420 nan 0.000 0.266 70 P C -0.604 176.854 177.300 0.264 0.000 1.195 70 P CA 0.398 63.630 63.100 0.220 0.000 0.768 70 P CB 0.693 32.480 31.700 0.145 0.000 0.838 71 G N 0.617 109.546 108.800 0.216 0.000 2.360 71 G HA2 0.483 4.443 3.960 0.000 0.000 0.276 71 G HA3 0.483 4.443 3.960 0.000 0.000 0.276 71 G C -1.492 173.429 174.900 0.034 0.000 1.256 71 G CA -0.101 45.120 45.100 0.203 0.000 0.890 71 G HN 0.688 nan 8.290 nan 0.000 0.486 72 S N -1.187 114.527 115.700 0.023 0.000 2.579 72 S HA 0.913 5.383 4.470 0.000 0.000 0.272 72 S C -1.062 173.536 174.600 -0.004 0.000 1.141 72 S CA -0.483 57.633 58.200 -0.140 0.000 0.843 72 S CB 2.064 65.176 63.200 -0.148 0.000 1.122 72 S HN 2.086 nan 8.310 nan 0.000 0.468 73 F N -1.463 118.412 119.950 -0.126 0.000 2.678 73 F HA 0.673 5.200 4.527 0.000 0.000 0.308 73 F C -1.445 174.376 175.800 0.036 0.000 1.118 73 F CA -1.037 56.946 58.000 -0.029 0.000 0.959 73 F CB 0.651 39.613 39.000 -0.063 0.000 1.305 73 F HN 0.384 nan 8.300 nan 0.000 0.443 74 D N 2.785 123.309 120.400 0.208 0.000 2.308 74 D HA 0.415 5.055 4.640 0.000 0.000 0.251 74 D C -0.103 176.308 176.300 0.185 0.000 1.127 74 D CA 0.264 54.342 54.000 0.130 0.000 0.876 74 D CB 1.905 42.756 40.800 0.086 0.000 1.176 74 D HN 0.511 nan 8.370 nan 0.000 0.446 75 I N 1.905 122.547 120.570 0.119 0.000 2.336 75 I HA 0.210 4.380 4.170 0.000 0.000 0.292 75 I C -0.142 175.826 176.117 -0.249 0.000 0.991 75 I CA -0.816 60.443 61.300 -0.069 0.000 1.227 75 I CB 1.566 39.500 38.000 -0.109 0.000 1.366 75 I HN -0.111 nan 8.210 nan 0.000 0.466 76 V N 6.879 126.566 119.914 -0.378 0.000 2.448 76 V HA 0.426 4.546 4.120 0.000 0.000 0.295 76 V C -0.651 175.194 176.094 -0.416 0.000 1.025 76 V CA -0.572 61.581 62.300 -0.246 0.000 0.859 76 V CB 1.482 33.263 31.823 -0.070 0.000 0.988 76 V HN 0.368 nan 8.190 nan 0.000 0.431 77 F N 3.451 123.422 119.950 0.034 0.000 2.426 77 F HA 0.657 5.184 4.527 0.000 0.000 0.348 77 F C 0.192 176.000 175.800 0.013 0.000 1.124 77 F CA -0.573 57.439 58.000 0.019 0.000 1.008 77 F CB 1.568 40.571 39.000 0.006 0.000 1.139 77 F HN 0.281 nan 8.300 nan 0.000 0.452 78 K N 1.860 122.349 120.400 0.148 0.000 2.371 78 K HA 0.870 5.190 4.320 0.000 0.000 0.251 78 K C -0.423 176.223 176.600 0.076 0.000 0.934 78 K CA -0.741 55.599 56.287 0.088 0.000 0.798 78 K CB 2.307 34.836 32.500 0.049 0.000 1.204 78 K HN 0.905 nan 8.250 nan 0.000 0.427 79 G N 1.399 110.231 108.800 0.055 0.000 2.352 79 G HA2 0.082 4.042 3.960 0.000 0.000 0.302 79 G HA3 0.082 4.042 3.960 0.000 0.000 0.302 79 G C -1.335 173.583 174.900 0.029 0.000 1.370 79 G CA -0.563 44.562 45.100 0.041 0.000 0.918 79 G HN 0.644 nan 8.290 nan 0.000 0.610 80 D N -1.027 119.385 120.400 0.021 0.000 2.792 80 D HA -0.103 4.537 4.640 0.000 0.000 0.231 80 D C 1.592 177.899 176.300 0.011 0.000 1.160 80 D CA 3.019 57.027 54.000 0.013 0.000 0.697 80 D CB -1.257 39.547 40.800 0.007 0.000 1.070 80 D HN 2.337 nan 8.370 nan 0.000 0.426 81 G N 0.230 109.039 108.800 0.014 0.000 2.356 81 G HA2 -0.335 3.625 3.960 0.000 0.000 0.296 81 G HA3 -0.335 3.625 3.960 0.000 0.000 0.296 81 G C 0.324 175.232 174.900 0.013 0.000 1.022 81 G CA 1.076 46.184 45.100 0.013 0.000 0.961 81 G HN 0.878 nan 8.290 nan 0.000 0.510 82 R N -2.585 117.926 120.500 0.018 0.000 2.795 82 R HA 0.835 5.175 4.340 0.000 0.000 0.268 82 R C -1.102 175.220 176.300 0.036 0.000 1.041 82 R CA -0.848 55.264 56.100 0.020 0.000 0.927 82 R CB 0.986 31.292 30.300 0.010 0.000 1.235 82 R HN 0.277 nan 8.270 nan 0.000 0.463 83 S N 0.287 116.011 115.700 0.041 0.000 2.614 83 S HA 0.335 4.805 4.470 0.000 0.000 0.275 83 S C -1.471 173.177 174.600 0.080 0.000 1.161 83 S CA -0.850 57.390 58.200 0.067 0.000 0.969 83 S CB 1.732 64.964 63.200 0.053 0.000 1.059 83 S HN 0.503 nan 8.310 nan 0.000 0.482 84 E N 2.290 122.577 120.200 0.145 0.000 2.227 84 E HA 0.541 4.891 4.350 0.000 0.000 0.268 84 E C -0.484 176.289 176.600 0.289 0.000 0.907 84 E CA -0.810 55.691 56.400 0.168 0.000 0.786 84 E CB 1.889 31.653 29.700 0.107 0.000 1.191 84 E HN 0.450 nan 8.360 nan 0.000 0.411 85 R N 1.085 121.721 120.500 0.226 0.000 2.854 85 R HA 0.546 4.886 4.340 0.000 0.000 0.271 85 R C -1.136 175.346 176.300 0.304 0.000 0.996 85 R CA -0.988 55.251 56.100 0.232 0.000 0.961 85 R CB 2.032 32.395 30.300 0.106 0.000 1.182 85 R HN 0.551 nan 8.270 nan 0.000 0.479 86 Y N 0.653 121.055 120.300 0.170 0.000 2.396 86 Y HA 0.287 4.837 4.550 -0.000 0.000 0.332 86 Y C -0.930 174.997 175.900 0.046 0.000 1.034 86 Y CA -1.038 57.134 58.100 0.121 0.000 1.057 86 Y CB 1.417 40.010 38.460 0.221 0.000 1.220 86 Y HN 0.414 nan 8.280 nan 0.000 0.440 87 R N 4.942 125.219 120.500 -0.371 0.000 2.248 87 R HA 0.208 4.548 4.340 0.000 0.000 0.337 87 R C -2.039 174.057 176.300 -0.340 0.000 1.085 87 R CA -0.055 55.871 56.100 -0.290 0.000 0.934 87 R CB -0.565 29.559 30.300 -0.293 0.000 1.034 87 R HN 0.660 nan 8.270 nan 0.000 0.465 88 Y N 3.586 123.681 120.300 -0.342 0.000 2.327 88 Y HA 0.338 4.888 4.550 0.000 0.000 0.336 88 Y C 0.187 175.734 175.900 -0.588 0.000 1.035 88 Y CA -0.310 57.549 58.100 -0.402 0.000 1.165 88 Y CB 0.686 38.769 38.460 -0.628 0.000 1.181 88 Y HN 0.496 nan 8.280 nan 0.000 0.494 89 R N 4.986 125.131 120.500 -0.591 0.000 2.393 89 R HA 0.487 4.827 4.340 0.000 0.000 0.310 89 R C -1.924 174.277 176.300 -0.165 0.000 0.968 89 R CA -0.790 55.100 56.100 -0.351 0.000 0.867 89 R CB 0.617 30.710 30.300 -0.344 0.000 1.124 89 R HN 0.560 nan 8.270 nan 0.000 0.450 90 L N 5.809 127.015 121.223 -0.029 0.000 2.277 90 L HA 0.346 4.686 4.340 0.000 0.000 0.284 90 L C -0.929 175.940 176.870 -0.001 0.000 1.028 90 L CA -0.586 54.319 54.840 0.109 0.000 0.835 90 L CB 1.114 43.341 42.059 0.280 0.000 1.215 90 L HN 0.561 nan 8.230 nan 0.000 0.425 91 L N 2.796 123.914 121.223 -0.175 0.000 2.418 91 L HA 0.563 4.903 4.340 0.000 0.000 0.265 91 L C 0.779 177.723 176.870 0.123 0.000 1.143 91 L CA -0.045 54.709 54.840 -0.143 0.000 0.809 91 L CB 0.516 42.347 42.059 -0.379 0.000 1.124 91 L HN 0.678 nan 8.230 nan 0.000 0.456 92 A N 2.799 125.705 122.820 0.144 0.000 2.401 92 A HA 0.419 4.739 4.320 0.000 0.000 0.259 92 A C 0.245 177.993 177.584 0.275 0.000 1.103 92 A CA -0.446 51.704 52.037 0.189 0.000 0.789 92 A CB -0.068 19.002 19.000 0.117 0.000 1.035 92 A HN 0.679 nan 8.150 nan 0.000 0.491 93 R N 2.253 122.901 120.500 0.247 0.000 2.491 93 R HA 0.166 4.506 4.340 0.000 0.000 0.283 93 R C -0.243 176.108 176.300 0.086 0.000 1.072 93 R CA -0.501 55.691 56.100 0.153 0.000 1.048 93 R CB 0.557 30.885 30.300 0.048 0.000 0.983 93 R HN 0.685 nan 8.270 nan 0.000 0.450 94 E N 2.250 122.483 120.200 0.054 0.000 2.467 94 E HA -0.122 4.228 4.350 0.000 0.000 0.264 94 E C -0.074 176.535 176.600 0.014 0.000 1.020 94 E CA 0.251 56.667 56.400 0.028 0.000 0.945 94 E CB 0.451 30.154 29.700 0.005 0.000 0.942 94 E HN 0.302 nan 8.360 nan 0.000 0.449 95 Q N -0.069 119.738 119.800 0.013 0.000 2.300 95 Q HA 0.226 4.566 4.340 0.000 0.000 0.280 95 Q C 0.817 176.817 176.000 0.000 0.000 1.033 95 Q CA 1.354 57.163 55.803 0.009 0.000 0.903 95 Q CB 0.336 29.079 28.738 0.008 0.000 1.195 95 Q HN 0.747 nan 8.270 nan 0.000 0.386 96 G N 2.344 111.145 108.800 0.001 0.000 2.162 96 G HA2 -0.349 3.611 3.960 0.000 0.000 0.260 96 G HA3 -0.349 3.611 3.960 0.000 0.000 0.260 96 G C 0.981 175.882 174.900 0.001 0.000 0.976 96 G CA 0.842 45.941 45.100 -0.001 0.000 0.655 96 G HN 0.699 nan 8.290 nan 0.000 0.533 97 S N 0.146 115.846 115.700 0.000 0.000 2.353 97 S HA 0.038 4.508 4.470 0.000 0.000 0.222 97 S C 2.839 177.488 174.600 0.083 0.000 1.035 97 S CA 2.246 60.451 58.200 0.009 0.000 1.025 97 S CB -0.409 62.775 63.200 -0.027 0.000 0.902 97 S HN 1.703 nan 8.310 nan 0.000 0.440 98 A N 0.558 123.409 122.820 0.050 0.000 1.969 98 A HA -0.005 4.315 4.320 0.000 0.000 0.218 98 A C 2.035 179.670 177.584 0.085 0.000 1.169 98 A CA 1.226 53.293 52.037 0.051 0.000 0.635 98 A CB -0.430 18.539 19.000 -0.051 0.000 0.810 98 A HN 0.574 nan 8.150 nan 0.000 0.445 99 Q N 0.139 119.965 119.800 0.043 0.000 2.365 99 Q HA 0.015 4.355 4.340 0.000 0.000 0.203 99 Q C 0.236 176.246 176.000 0.017 0.000 0.929 99 Q CA 0.035 55.853 55.803 0.024 0.000 0.948 99 Q CB -0.257 28.485 28.738 0.005 0.000 1.043 99 Q HN 0.854 nan 8.270 nan 0.000 0.505 100 R N 0.546 121.061 120.500 0.026 0.000 2.583 100 R HA 0.012 4.352 4.340 0.000 0.000 0.274 100 R C 0.020 176.301 176.300 -0.031 0.000 0.998 100 R CA -0.011 56.079 56.100 -0.018 0.000 1.081 100 R CB 0.143 30.407 30.300 -0.060 0.000 0.940 100 R HN -0.236 nan 8.270 nan 0.000 0.413 101 Q N 2.476 122.253 119.800 -0.039 0.000 2.314 101 Q HA 0.268 4.608 4.340 0.000 0.000 0.257 101 Q C -0.213 175.749 176.000 -0.063 0.000 0.975 101 Q CA 0.231 56.005 55.803 -0.049 0.000 0.933 101 Q CB 1.407 30.121 28.738 -0.039 0.000 1.195 101 Q HN 0.791 nan 8.270 nan 0.000 0.426 102 G N 3.100 111.834 108.800 -0.109 0.000 2.634 102 G HA2 0.304 4.264 3.960 0.000 0.000 0.255 102 G HA3 0.304 4.264 3.960 0.000 0.000 0.255 102 G C -0.547 174.268 174.900 -0.142 0.000 1.205 102 G CA -0.582 44.411 45.100 -0.179 0.000 0.884 102 G HN 0.739 nan 8.290 nan 0.000 0.549 103 F N -0.290 119.632 119.950 -0.047 0.000 2.563 103 F HA 0.570 5.097 4.527 0.000 0.000 0.363 103 F C 0.604 176.373 175.800 -0.051 0.000 1.123 103 F CA -0.485 57.489 58.000 -0.043 0.000 1.307 103 F CB 0.387 39.372 39.000 -0.025 0.000 1.115 103 F HN 0.620 nan 8.300 nan 0.000 0.592 104 G N 1.858 110.718 108.800 0.099 0.000 2.870 104 G HA2 0.494 4.454 3.960 0.000 0.000 0.299 104 G HA3 0.494 4.454 3.960 0.000 0.000 0.299 104 G C -2.711 172.187 174.900 -0.003 0.000 1.324 104 G CA -1.338 43.761 45.100 -0.002 0.000 0.808 104 G HN 0.272 nan 8.290 nan 0.000 0.535 105 P HA -0.056 nan 4.420 nan 0.000 0.217 105 P C 1.833 178.998 177.300 -0.225 0.000 1.148 105 P CA 1.886 64.945 63.100 -0.069 0.000 0.834 105 P CB 0.137 31.815 31.700 -0.037 0.000 0.783 106 G N -1.619 106.936 108.800 -0.409 0.000 2.650 106 G HA2 -0.075 3.885 3.960 0.000 0.000 0.214 106 G HA3 -0.075 3.885 3.960 0.000 0.000 0.214 106 G C 0.462 175.075 174.900 -0.478 0.000 1.136 106 G CA 0.167 44.701 45.100 -0.942 0.000 0.789 106 G HN 0.229 nan 8.290 nan 0.000 0.536 107 D N 0.045 120.329 120.400 -0.193 0.000 2.340 107 D HA 0.573 5.213 4.640 0.000 0.000 0.251 107 D C -0.242 176.065 176.300 0.011 0.000 1.080 107 D CA 0.068 54.039 54.000 -0.048 0.000 0.971 107 D CB 1.909 42.746 40.800 0.062 0.000 1.137 107 D HN 0.112 nan 8.370 nan 0.000 0.475 108 A N 1.249 124.119 122.820 0.083 0.000 2.398 108 A HA 0.571 4.891 4.320 0.000 0.000 0.301 108 A C -0.700 177.136 177.584 0.419 0.000 1.041 108 A CA -0.625 51.546 52.037 0.222 0.000 0.711 108 A CB 0.815 19.872 19.000 0.095 0.000 1.240 108 A HN 0.462 nan 8.150 nan 0.000 0.420 109 I N 1.939 122.744 120.570 0.390 0.000 2.359 109 I HA 0.274 4.444 4.170 0.000 0.000 0.294 109 I C -0.842 175.407 176.117 0.220 0.000 0.987 109 I CA -0.539 60.917 61.300 0.261 0.000 1.225 109 I CB 1.347 39.403 38.000 0.093 0.000 1.366 109 I HN 0.722 nan 8.210 nan 0.000 0.466 110 Y N 6.315 126.540 120.300 -0.124 0.000 2.328 110 Y HA 0.306 4.856 4.550 -0.000 0.000 0.337 110 Y C -0.129 175.629 175.900 -0.237 0.000 1.008 110 Y CA -0.272 57.570 58.100 -0.430 0.000 1.129 110 Y CB 1.042 39.132 38.460 -0.617 0.000 1.185 110 Y HN 0.504 nan 8.280 nan 0.000 0.476 111 Q N 7.680 127.170 119.800 -0.516 0.000 2.271 111 Q HA 0.589 4.929 4.340 0.000 0.000 0.258 111 Q C -1.230 174.362 176.000 -0.680 0.000 0.936 111 Q CA -0.826 54.623 55.803 -0.591 0.000 0.909 111 Q CB 1.214 29.558 28.738 -0.657 0.000 1.253 111 Q HN 0.863 nan 8.270 nan 0.000 0.440 112 I N -0.028 120.167 120.570 -0.625 0.000 2.892 112 I HA 0.517 4.687 4.170 0.000 0.000 0.306 112 I C -0.929 174.977 176.117 -0.351 0.000 1.078 112 I CA -1.298 59.709 61.300 -0.488 0.000 1.032 112 I CB 2.359 39.995 38.000 -0.605 0.000 1.229 112 I HN 0.527 nan 8.210 nan 0.000 0.435 113 M N 4.649 124.179 119.600 -0.117 0.000 2.061 113 M HA 0.331 4.811 4.480 0.000 0.000 0.346 113 M C -1.778 174.563 176.300 0.070 0.000 1.112 113 M CA -1.598 53.683 55.300 -0.033 0.000 1.021 113 M CB 1.480 34.169 32.600 0.148 0.000 1.530 113 M HN 0.442 nan 8.290 nan 0.000 0.437 114 P HA -0.207 nan 4.420 nan 0.000 0.216 114 P C 0.728 178.185 177.300 0.262 0.000 1.150 114 P CA 1.622 64.718 63.100 -0.006 0.000 0.843 114 P CB 0.118 31.553 31.700 -0.442 0.000 0.787 115 D N -0.877 119.764 120.400 0.401 0.000 2.263 115 D HA -0.141 4.499 4.640 0.000 0.000 0.208 115 D C 1.535 178.163 176.300 0.546 0.000 0.971 115 D CA 0.874 55.199 54.000 0.542 0.000 0.867 115 D CB 0.017 41.133 40.800 0.526 0.000 0.929 115 D HN -0.092 nan 8.370 nan 0.000 0.492 116 R N -0.915 119.883 120.500 0.496 0.000 2.437 116 R HA 0.129 4.469 4.340 0.000 0.000 0.257 116 R C 0.889 177.622 176.300 0.721 0.000 0.927 116 R CA -0.166 56.266 56.100 0.553 0.000 1.078 116 R CB -0.392 30.096 30.300 0.313 0.000 1.161 116 R HN 0.255 nan 8.270 nan 0.000 0.529 117 F N 0.791 120.990 119.950 0.416 0.000 2.202 117 F HA 0.492 5.019 4.527 0.000 0.000 0.279 117 F C -0.078 175.890 175.800 0.281 0.000 1.077 117 F CA -0.025 58.151 58.000 0.293 0.000 1.193 117 F CB 0.165 39.235 39.000 0.116 0.000 1.090 117 F HN -0.114 nan 8.300 nan 0.000 0.516 118 A N 0.726 123.462 122.820 -0.140 0.000 2.465 118 A HA 0.436 4.756 4.320 0.000 0.000 0.292 118 A C -1.535 175.732 177.584 -0.529 0.000 1.041 118 A CA -0.613 51.138 52.037 -0.477 0.000 0.718 118 A CB 0.414 19.158 19.000 -0.427 0.000 1.266 118 A HN 0.248 nan 8.150 nan 0.000 0.403 119 N N 2.154 120.281 118.700 -0.955 0.000 2.767 119 N HA 0.309 5.049 4.740 0.000 0.000 0.238 119 N C 1.095 176.377 175.510 -0.379 0.000 1.083 119 N CA 0.437 53.056 53.050 -0.718 0.000 0.964 119 N CB 0.953 38.725 38.487 -1.191 0.000 1.252 119 N HN 0.725 nan 8.380 nan 0.000 0.512 120 G N 1.049 109.725 108.800 -0.207 0.000 2.623 120 G HA2 -0.097 3.863 3.960 0.000 0.000 0.214 120 G HA3 -0.097 3.863 3.960 0.000 0.000 0.214 120 G C 0.072 174.917 174.900 -0.092 0.000 1.138 120 G CA 0.136 45.156 45.100 -0.134 0.000 0.794 120 G HN 0.531 nan 8.290 nan 0.000 0.535 121 D N -0.908 119.447 120.400 -0.075 0.000 2.358 121 D HA 0.324 4.964 4.640 0.000 0.000 0.253 121 D C -2.077 174.206 176.300 -0.028 0.000 1.288 121 D CA -1.889 52.089 54.000 -0.038 0.000 0.950 121 D CB 1.893 42.687 40.800 -0.010 0.000 1.197 121 D HN -0.117 nan 8.370 nan 0.000 0.550 122 P HA -0.109 nan 4.420 nan 0.000 0.225 122 P C 1.327 178.638 177.300 0.018 0.000 1.148 122 P CA 0.844 63.947 63.100 0.006 0.000 0.779 122 P CB 0.257 31.968 31.700 0.020 0.000 0.780 123 S N 0.036 115.742 115.700 0.009 0.000 2.481 123 S HA -0.115 4.355 4.470 0.000 0.000 0.231 123 S C 1.503 176.110 174.600 0.011 0.000 0.996 123 S CA 1.022 59.229 58.200 0.011 0.000 0.942 123 S CB -1.269 61.935 63.200 0.008 0.000 0.768 123 S HN 0.201 nan 8.310 nan 0.000 0.520 124 N N 0.811 119.518 118.700 0.012 0.000 2.270 124 N HA 0.107 4.847 4.740 0.000 0.000 0.198 124 N C 0.282 175.792 175.510 0.000 0.000 1.117 124 N CA 0.277 53.331 53.050 0.007 0.000 0.845 124 N CB -0.367 38.129 38.487 0.015 0.000 0.980 124 N HN 0.149 nan 8.380 nan 0.000 0.486 125 D N 0.343 120.755 120.400 0.019 0.000 2.149 125 D HA -0.074 4.566 4.640 0.000 0.000 0.198 125 D C -0.177 176.129 176.300 0.010 0.000 0.990 125 D CA 1.187 55.209 54.000 0.035 0.000 0.839 125 D CB -0.066 40.780 40.800 0.076 0.000 0.948 125 D HN 0.320 nan 8.370 nan 0.000 0.460 126 N N -0.243 118.459 118.700 0.003 0.000 2.314 126 N HA 0.357 5.097 4.740 0.000 0.000 0.304 126 N C -1.002 174.499 175.510 -0.015 0.000 1.073 126 N CA -0.423 52.620 53.050 -0.011 0.000 0.822 126 N CB 2.911 41.395 38.487 -0.006 0.000 1.280 126 N HN -0.247 nan 8.380 nan 0.000 0.489 127 V N 0.951 120.850 119.914 -0.025 0.000 2.531 127 V HA 0.487 4.607 4.120 0.000 0.000 0.301 127 V C 0.187 176.269 176.094 -0.021 0.000 1.034 127 V CA -1.177 61.111 62.300 -0.020 0.000 0.865 127 V CB 1.497 33.305 31.823 -0.024 0.000 0.995 127 V HN 0.820 nan 8.190 nan 0.000 0.424 128 A N 3.533 126.344 122.820 -0.015 0.000 2.566 128 A HA 0.491 4.811 4.320 0.000 0.000 0.245 128 A C 1.540 179.112 177.584 -0.020 0.000 1.056 128 A CA 1.099 53.126 52.037 -0.016 0.000 0.757 128 A CB -0.519 18.474 19.000 -0.012 0.000 0.979 128 A HN 2.234 nan 8.150 nan 0.000 0.508 129 G N 1.517 110.302 108.800 -0.024 0.000 2.279 129 G HA2 -0.217 3.743 3.960 0.000 0.000 0.223 129 G HA3 -0.217 3.743 3.960 0.000 0.000 0.223 129 G C 0.426 175.304 174.900 -0.038 0.000 1.015 129 G CA 0.216 45.300 45.100 -0.027 0.000 0.621 129 G HN 0.770 nan 8.290 nan 0.000 0.506 130 M N 0.403 119.978 119.600 -0.042 0.000 2.226 130 M HA 0.362 4.842 4.480 0.000 0.000 0.324 130 M C 1.756 178.014 176.300 -0.071 0.000 1.112 130 M CA -0.039 55.225 55.300 -0.059 0.000 1.176 130 M CB 0.503 33.068 32.600 -0.059 0.000 1.430 130 M HN 0.162 nan 8.290 nan 0.000 0.462 131 R N 0.321 120.761 120.500 -0.099 0.000 2.200 131 R HA 0.044 4.384 4.340 0.000 0.000 0.208 131 R C 0.277 176.520 176.300 -0.094 0.000 1.033 131 R CA 0.678 56.707 56.100 -0.118 0.000 1.000 131 R CB 0.192 30.369 30.300 -0.204 0.000 0.906 131 R HN 0.626 nan 8.270 nan 0.000 0.462 132 E N 0.917 121.068 120.200 -0.081 0.000 2.199 132 E HA 0.103 4.453 4.350 0.000 0.000 0.269 132 E C -0.844 175.724 176.600 -0.053 0.000 0.899 132 E CA -0.625 55.733 56.400 -0.070 0.000 0.772 132 E CB 1.210 30.871 29.700 -0.066 0.000 1.155 132 E HN -0.138 nan 8.360 nan 0.000 0.408 133 Q N 1.372 121.142 119.800 -0.050 0.000 2.235 133 Q HA 0.407 4.747 4.340 0.000 0.000 0.250 133 Q C -0.496 175.494 176.000 -0.018 0.000 0.909 133 Q CA -0.438 55.346 55.803 -0.033 0.000 0.910 133 Q CB 1.696 30.413 28.738 -0.034 0.000 1.223 133 Q HN 0.628 nan 8.270 nan 0.000 0.432 134 A N 2.102 124.927 122.820 0.009 0.000 2.498 134 A HA 0.212 4.532 4.320 0.000 0.000 0.239 134 A C -0.174 177.430 177.584 0.034 0.000 1.068 134 A CA 0.144 52.209 52.037 0.046 0.000 0.766 134 A CB 0.162 19.208 19.000 0.077 0.000 1.003 134 A HN 0.619 nan 8.150 nan 0.000 0.497 135 D N 0.689 121.124 120.400 0.058 0.000 2.319 135 D HA 0.163 4.803 4.640 0.000 0.000 0.237 135 D C 0.720 177.011 176.300 -0.015 0.000 1.353 135 D CA -0.460 53.551 54.000 0.018 0.000 0.992 135 D CB 0.662 41.465 40.800 0.005 0.000 1.368 135 D HN 0.559 nan 8.370 nan 0.000 0.564 136 R N 2.223 122.629 120.500 -0.156 0.000 2.193 136 R HA 0.023 4.363 4.340 0.000 0.000 0.229 136 R C 1.262 177.178 176.300 -0.640 0.000 1.110 136 R CA 1.097 56.857 56.100 -0.567 0.000 0.988 136 R CB 0.289 30.329 30.300 -0.433 0.000 0.871 136 R HN 0.252 nan 8.270 nan 0.000 0.458 137 R N -1.023 119.311 120.500 -0.276 0.000 2.313 137 R HA 0.031 4.371 4.340 0.000 0.000 0.199 137 R C 0.213 176.475 176.300 -0.064 0.000 0.958 137 R CA 0.115 56.108 56.100 -0.178 0.000 1.047 137 R CB 0.055 30.295 30.300 -0.100 0.000 0.955 137 R HN 0.242 nan 8.270 nan 0.000 0.481 138 H N -0.457 118.551 119.070 -0.103 0.000 2.488 138 H HA 0.121 4.677 4.556 0.000 0.000 0.322 138 H C 0.803 176.178 175.328 0.077 0.000 1.078 138 H CA -0.228 55.808 56.048 -0.020 0.000 1.260 138 H CB 1.713 31.460 29.762 -0.025 0.000 1.425 138 H HN 0.139 nan 8.280 nan 0.000 0.471 139 G N 2.722 111.285 108.800 -0.395 0.000 2.432 139 G HA2 -0.216 3.744 3.960 0.000 0.000 0.219 139 G HA3 -0.216 3.744 3.960 0.000 0.000 0.219 139 G C 1.281 176.050 174.900 -0.219 0.000 1.135 139 G CA 0.654 45.618 45.100 -0.226 0.000 0.767 139 G HN 0.654 nan 8.290 nan 0.000 0.550 140 G N -0.154 108.527 108.800 -0.198 0.000 3.337 140 G HA2 0.489 4.449 3.960 0.000 0.000 0.246 140 G HA3 0.489 4.449 3.960 0.000 0.000 0.246 140 G C 0.649 175.678 174.900 0.216 0.000 1.131 140 G CA 0.428 45.656 45.100 0.214 0.000 0.773 140 G HN 0.594 nan 8.290 nan 0.000 0.544 141 G N -0.154 108.756 108.800 0.183 0.000 2.535 141 G HA2 0.504 4.464 3.960 0.000 0.000 0.303 141 G HA3 0.504 4.464 3.960 0.000 0.000 0.303 141 G C -0.280 174.643 174.900 0.038 0.000 1.237 141 G CA -0.992 44.202 45.100 0.156 0.000 0.986 141 G HN 0.243 nan 8.290 nan 0.000 0.494 142 R N -0.482 120.102 120.500 0.139 0.000 2.298 142 R HA 0.224 4.564 4.340 0.000 0.000 0.310 142 R C 0.368 176.862 176.300 0.323 0.000 1.068 142 R CA -0.162 56.043 56.100 0.176 0.000 0.957 142 R CB 0.754 31.127 30.300 0.123 0.000 1.003 142 R HN 0.743 nan 8.270 nan 0.000 0.454 143 H N 0.915 120.072 119.070 0.146 0.000 2.582 143 H HA 0.112 4.668 4.556 0.000 0.000 0.269 143 H C 1.123 176.752 175.328 0.502 0.000 0.962 143 H CA 0.270 56.438 56.048 0.200 0.000 1.230 143 H CB 0.867 30.652 29.762 0.038 0.000 1.445 143 H HN 0.988 nan 8.280 nan 0.000 0.528 144 G N 0.725 109.862 108.800 0.562 0.000 2.175 144 G HA2 -0.199 3.761 3.960 0.000 0.000 0.182 144 G HA3 -0.199 3.761 3.960 0.000 0.000 0.182 144 G C 0.640 175.698 174.900 0.263 0.000 1.003 144 G CA -0.254 45.071 45.100 0.376 0.000 0.666 144 G HN 0.610 nan 8.290 nan 0.000 0.506 145 G N 0.339 109.380 108.800 0.402 0.000 2.484 145 G HA2 0.548 4.508 3.960 0.000 0.000 0.235 145 G HA3 0.548 4.508 3.960 0.000 0.000 0.235 145 G C 0.037 175.107 174.900 0.283 0.000 1.282 145 G CA 1.048 46.258 45.100 0.183 0.000 0.857 145 G HN 1.054 nan 8.290 nan 0.000 0.571 146 D N -0.517 119.994 120.400 0.186 0.000 2.759 146 D HA 0.203 4.843 4.640 0.000 0.000 0.321 146 D C 1.014 177.420 176.300 0.176 0.000 1.267 146 D CA -0.876 53.290 54.000 0.277 0.000 0.933 146 D CB 0.366 41.276 40.800 0.183 0.000 1.431 146 D HN 0.195 nan 8.370 nan 0.000 0.504 147 I N -0.542 120.138 120.570 0.182 0.000 2.252 147 I HA -0.129 4.041 4.170 0.000 0.000 0.245 147 I C 2.593 178.758 176.117 0.081 0.000 1.102 147 I CA 0.818 62.199 61.300 0.135 0.000 1.385 147 I CB -0.200 37.901 38.000 0.169 0.000 1.064 147 I HN 0.397 nan 8.210 nan 0.000 0.414 148 R N 1.139 121.673 120.500 0.056 0.000 2.096 148 R HA -0.180 4.160 4.340 0.000 0.000 0.240 148 R C 2.313 178.589 176.300 -0.041 0.000 1.139 148 R CA 1.907 58.007 56.100 0.000 0.000 0.952 148 R CB -0.613 29.680 30.300 -0.012 0.000 0.854 148 R HN 0.423 nan 8.270 nan 0.000 0.436 149 G N -0.819 107.960 108.800 -0.034 0.000 2.418 149 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 149 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 149 G C 1.331 176.244 174.900 0.021 0.000 1.158 149 G CA 1.232 46.293 45.100 -0.065 0.000 0.771 149 G HN 0.362 nan 8.290 nan 0.000 0.545 150 T N 1.405 116.043 114.554 0.139 0.000 2.708 150 T HA -0.076 4.274 4.350 0.000 0.000 0.266 150 T C 2.393 177.171 174.700 0.130 0.000 1.037 150 T CA 1.095 63.365 62.100 0.283 0.000 1.146 150 T CB -0.198 68.818 68.868 0.247 0.000 0.865 150 T HN 0.244 nan 8.240 nan 0.000 0.435 151 I N 1.375 121.963 120.570 0.029 0.000 2.208 151 I HA -0.204 3.966 4.170 0.000 0.000 0.245 151 I C 2.251 178.294 176.117 -0.122 0.000 1.097 151 I CA 1.217 62.497 61.300 -0.033 0.000 1.363 151 I CB -0.437 37.540 38.000 -0.038 0.000 1.051 151 I HN 0.143 nan 8.210 nan 0.000 0.413 152 D N -0.103 120.155 120.400 -0.237 0.000 2.228 152 D HA -0.181 4.459 4.640 0.000 0.000 0.203 152 D C 1.522 177.371 176.300 -0.752 0.000 0.988 152 D CA 1.364 55.061 54.000 -0.505 0.000 0.864 152 D CB -0.191 40.179 40.800 -0.716 0.000 0.928 152 D HN 0.482 nan 8.370 nan 0.000 0.469 153 H N -0.769 118.162 119.070 -0.232 0.000 2.581 153 H HA 0.237 4.793 4.556 0.000 0.000 0.275 153 H C 1.896 177.231 175.328 0.012 0.000 1.126 153 H CA -0.162 55.714 56.048 -0.286 0.000 1.097 153 H CB 0.468 29.737 29.762 -0.822 0.000 1.626 153 H HN 0.112 nan 8.280 nan 0.000 0.565 154 L N 0.147 121.403 121.223 0.055 0.000 2.083 154 L HA -0.170 4.170 4.340 0.000 0.000 0.209 154 L C 1.839 178.742 176.870 0.054 0.000 1.083 154 L CA 1.162 56.037 54.840 0.060 0.000 0.752 154 L CB -0.043 42.021 42.059 0.009 0.000 0.899 154 L HN 0.086 nan 8.230 nan 0.000 0.433 155 D N -0.934 119.492 120.400 0.043 0.000 2.144 155 D HA -0.228 4.412 4.640 0.000 0.000 0.199 155 D C 1.849 178.214 176.300 0.108 0.000 0.984 155 D CA 1.092 55.123 54.000 0.052 0.000 0.834 155 D CB -0.162 40.660 40.800 0.037 0.000 0.955 155 D HN 0.315 nan 8.370 nan 0.000 0.465 156 Y N 1.500 121.839 120.300 0.065 0.000 2.097 156 Y HA -0.201 4.349 4.550 0.000 0.000 0.282 156 Y C 2.154 178.100 175.900 0.076 0.000 1.152 156 Y CA 1.444 59.627 58.100 0.138 0.000 1.136 156 Y CB -0.450 38.184 38.460 0.291 0.000 0.975 156 Y HN -0.092 nan 8.280 nan 0.000 0.498 157 I N 0.196 120.740 120.570 -0.043 0.000 2.179 157 I HA -0.305 3.865 4.170 0.000 0.000 0.242 157 I C 2.702 178.742 176.117 -0.129 0.000 1.088 157 I CA 1.249 62.376 61.300 -0.288 0.000 1.357 157 I CB -0.848 36.995 38.000 -0.262 0.000 1.051 157 I HN 0.343 nan 8.210 nan 0.000 0.409 158 A N 1.036 123.825 122.820 -0.051 0.000 1.902 158 A HA -0.121 4.199 4.320 0.000 0.000 0.217 158 A C 2.451 180.000 177.584 -0.058 0.000 1.181 158 A CA 1.849 53.869 52.037 -0.027 0.000 0.623 158 A CB -1.482 17.511 19.000 -0.011 0.000 0.818 158 A HN 0.462 nan 8.150 nan 0.000 0.443 159 G N -0.437 108.322 108.800 -0.069 0.000 2.462 159 G HA2 -0.161 3.799 3.960 0.000 0.000 0.220 159 G HA3 -0.161 3.799 3.960 0.000 0.000 0.220 159 G C 1.431 176.262 174.900 -0.115 0.000 1.121 159 G CA 0.938 45.997 45.100 -0.069 0.000 0.758 159 G HN 0.443 nan 8.290 nan 0.000 0.559 160 L N -0.155 120.952 121.223 -0.193 0.000 2.465 160 L HA 0.176 4.516 4.340 0.000 0.000 0.224 160 L C 2.111 178.825 176.870 -0.260 0.000 1.145 160 L CA 0.744 55.477 54.840 -0.179 0.000 0.834 160 L CB 0.036 42.014 42.059 -0.136 0.000 0.944 160 L HN 0.445 nan 8.230 nan 0.000 0.451 161 G N -1.151 107.496 108.800 -0.255 0.000 2.168 161 G HA2 -0.240 3.720 3.960 0.000 0.000 0.197 161 G HA3 -0.240 3.720 3.960 0.000 0.000 0.197 161 G C 0.024 174.628 174.900 -0.494 0.000 0.997 161 G CA -0.634 44.258 45.100 -0.348 0.000 0.658 161 G HN 0.100 nan 8.290 nan 0.000 0.513 162 F N 1.147 121.053 119.950 -0.074 0.000 2.375 162 F HA 0.561 5.088 4.527 -0.000 0.000 0.333 162 F C 1.663 177.447 175.800 -0.026 0.000 1.104 162 F CA 0.663 58.647 58.000 -0.027 0.000 1.149 162 F CB 1.772 40.771 39.000 -0.002 0.000 1.190 162 F HN 0.087 nan 8.300 nan 0.000 0.533 163 T N -2.160 112.495 114.554 0.168 0.000 3.058 163 T HA 0.297 4.647 4.350 0.000 0.000 0.278 163 T C -0.013 174.740 174.700 0.088 0.000 0.974 163 T CA -0.214 61.933 62.100 0.079 0.000 0.893 163 T CB 0.115 68.997 68.868 0.024 0.000 1.138 163 T HN 0.439 nan 8.240 nan 0.000 0.529 164 Q N 0.689 120.568 119.800 0.133 0.000 2.377 164 Q HA 0.586 4.926 4.340 0.000 0.000 0.279 164 Q C -2.057 174.004 176.000 0.101 0.000 1.049 164 Q CA -0.761 55.092 55.803 0.083 0.000 0.825 164 Q CB 3.039 31.796 28.738 0.031 0.000 1.401 164 Q HN 0.296 nan 8.270 nan 0.000 0.404 165 L N 2.214 123.474 121.223 0.062 0.000 2.356 165 L HA 0.626 4.966 4.340 0.000 0.000 0.277 165 L C -1.800 175.129 176.870 0.098 0.000 0.996 165 L CA -0.288 54.591 54.840 0.065 0.000 0.822 165 L CB 1.229 43.303 42.059 0.024 0.000 1.256 165 L HN 0.698 nan 8.230 nan 0.000 0.413 166 W N 9.697 130.930 121.300 -0.110 0.000 2.338 166 W HA 0.674 5.334 4.660 0.000 0.000 0.315 166 W C -2.803 173.635 176.519 -0.134 0.000 1.005 166 W CA -2.932 54.333 57.345 -0.133 0.000 1.380 166 W CB 0.923 30.278 29.460 -0.176 0.000 1.235 166 W HN 0.391 nan 8.180 nan 0.000 0.409 167 P HA 0.240 nan 4.420 nan 0.000 0.292 167 P C 0.300 177.486 177.300 -0.189 0.000 1.283 167 P CA -0.039 62.920 63.100 -0.234 0.000 0.835 167 P CB 1.432 33.068 31.700 -0.106 0.000 1.017 168 T N 0.740 115.068 114.554 -0.378 0.000 2.734 168 T HA 0.205 4.555 4.350 0.000 0.000 0.314 168 T C -2.274 172.257 174.700 -0.280 0.000 1.057 168 T CA -1.394 60.563 62.100 -0.239 0.000 1.047 168 T CB -1.195 67.466 68.868 -0.344 0.000 0.991 168 T HN 0.224 nan 8.240 nan 0.000 0.540 169 P HA 0.172 nan 4.420 nan 0.000 0.265 169 P C 0.036 177.133 177.300 -0.338 0.000 1.193 169 P CA -0.150 62.737 63.100 -0.354 0.000 0.765 169 P CB 0.277 31.734 31.700 -0.404 0.000 0.823 170 L N 2.734 123.730 121.223 -0.379 0.000 2.616 170 L HA 0.055 4.395 4.340 0.000 0.000 0.229 170 L C 0.768 177.574 176.870 -0.107 0.000 1.110 170 L CA 0.242 54.874 54.840 -0.347 0.000 0.884 170 L CB -0.234 41.526 42.059 -0.499 0.000 1.115 170 L HN 0.217 nan 8.230 nan 0.000 0.481 171 V N -1.867 117.930 119.914 -0.195 0.000 2.999 171 V HA 0.029 4.149 4.120 0.000 0.000 0.307 171 V C 0.696 176.790 176.094 0.001 0.000 1.084 171 V CA -0.997 61.262 62.300 -0.068 0.000 1.155 171 V CB 0.335 32.133 31.823 -0.041 0.000 0.975 171 V HN 0.291 nan 8.190 nan 0.000 0.490 172 E N 2.835 123.053 120.200 0.030 0.000 2.529 172 E HA -0.049 4.301 4.350 0.000 0.000 0.259 172 E C -0.207 176.365 176.600 -0.046 0.000 0.966 172 E CA 0.356 56.758 56.400 0.004 0.000 0.937 172 E CB 0.092 29.799 29.700 0.010 0.000 0.923 172 E HN 0.866 nan 8.360 nan 0.000 0.468 173 N N 4.731 123.402 118.700 -0.049 0.000 2.762 173 N HA 0.026 4.766 4.740 0.000 0.000 0.252 173 N C -1.408 174.068 175.510 -0.057 0.000 1.269 173 N CA -0.358 52.655 53.050 -0.061 0.000 0.799 173 N CB 0.704 39.136 38.487 -0.091 0.000 1.173 173 N HN 0.399 nan 8.380 nan 0.000 0.516 174 D N 2.085 122.458 120.400 -0.044 0.000 2.741 174 D HA 0.227 4.867 4.640 0.000 0.000 0.233 174 D C -0.280 175.969 176.300 -0.085 0.000 1.160 174 D CA -0.195 53.766 54.000 -0.065 0.000 1.003 174 D CB -0.068 40.695 40.800 -0.061 0.000 1.064 174 D HN 0.423 nan 8.370 nan 0.000 0.503 175 A N 0.605 123.397 122.820 -0.046 0.000 2.282 175 A HA 0.667 4.987 4.320 0.000 0.000 0.319 175 A C 1.264 178.803 177.584 -0.075 0.000 1.121 175 A CA -0.081 51.958 52.037 0.003 0.000 0.836 175 A CB 1.189 20.258 19.000 0.114 0.000 1.146 175 A HN 0.342 nan 8.150 nan 0.000 0.494 176 A N 0.089 122.873 122.820 -0.060 0.000 2.066 176 A HA 0.488 4.808 4.320 0.000 0.000 0.218 176 A C 1.054 178.604 177.584 -0.055 0.000 1.157 176 A CA 1.673 53.673 52.037 -0.062 0.000 0.670 176 A CB -0.402 18.581 19.000 -0.028 0.000 0.804 176 A HN 2.164 nan 8.150 nan 0.000 0.453 177 A N -3.816 118.991 122.820 -0.022 0.000 2.606 177 A HA 0.555 4.875 4.320 0.000 0.000 0.293 177 A C -0.138 177.446 177.584 0.001 0.000 1.082 177 A CA -0.401 51.550 52.037 -0.144 0.000 0.685 177 A CB 0.052 18.883 19.000 -0.282 0.000 1.284 177 A HN 0.942 nan 8.150 nan 0.000 0.408 178 Y N -0.026 120.363 120.300 0.148 0.000 4.079 178 Y HA -0.290 4.260 4.550 -0.000 0.000 0.223 178 Y C 1.941 177.779 175.900 -0.103 0.000 1.155 178 Y CA 1.148 59.364 58.100 0.192 0.000 1.805 178 Y CB -2.502 36.105 38.460 0.245 0.000 1.571 178 Y HN 1.080 nan 8.280 nan 0.000 0.654 179 S N -1.109 114.602 115.700 0.019 0.000 2.453 179 S HA -0.208 4.262 4.470 0.000 0.000 0.231 179 S C 1.730 176.223 174.600 -0.179 0.000 1.005 179 S CA 0.926 59.053 58.200 -0.122 0.000 0.949 179 S CB -0.747 62.418 63.200 -0.059 0.000 0.774 179 S HN 0.671 nan 8.310 nan 0.000 0.510 180 Y N 3.128 123.377 120.300 -0.085 0.000 2.333 180 Y HA -0.126 4.424 4.550 0.000 0.000 0.290 180 Y C 2.356 178.306 175.900 0.083 0.000 1.144 180 Y CA 1.263 59.378 58.100 0.025 0.000 1.228 180 Y CB -1.405 37.094 38.460 0.066 0.000 0.985 180 Y HN 0.655 nan 8.280 nan 0.000 0.542 181 H N -1.536 117.105 119.070 -0.714 0.000 2.512 181 H HA 0.283 4.839 4.556 -0.000 0.000 0.279 181 H C 1.931 177.075 175.328 -0.305 0.000 0.999 181 H CA 0.651 56.333 56.048 -0.610 0.000 1.283 181 H CB -0.215 29.202 29.762 -0.576 0.000 1.421 181 H HN 0.477 nan 8.280 nan 0.000 0.554 182 G N 0.823 109.481 108.800 -0.236 0.000 2.199 182 G HA2 -0.334 3.626 3.960 0.000 0.000 0.254 182 G HA3 -0.334 3.626 3.960 0.000 0.000 0.254 182 G C 0.319 175.097 174.900 -0.203 0.000 0.982 182 G CA 0.389 45.358 45.100 -0.218 0.000 0.632 182 G HN 0.519 nan 8.290 nan 0.000 0.529 183 Y N 0.816 121.306 120.300 0.316 0.000 2.471 183 Y HA 0.552 5.102 4.550 -0.000 0.000 0.286 183 Y C 1.764 177.779 175.900 0.192 0.000 1.188 183 Y CA 0.712 58.930 58.100 0.197 0.000 1.286 183 Y CB 0.547 39.064 38.460 0.095 0.000 1.072 183 Y HN 0.593 nan 8.280 nan 0.000 0.517 184 A N 0.444 123.404 122.820 0.233 0.000 2.978 184 A HA 0.741 5.061 4.320 0.000 0.000 0.341 184 A C 0.151 177.750 177.584 0.024 0.000 1.105 184 A CA -0.561 51.575 52.037 0.164 0.000 0.819 184 A CB -0.663 18.440 19.000 0.173 0.000 1.080 184 A HN 0.172 nan 8.150 nan 0.000 0.476 185 A N 1.175 123.959 122.820 -0.060 0.000 2.511 185 A HA 0.469 4.789 4.320 0.000 0.000 0.242 185 A C 1.311 178.792 177.584 -0.171 0.000 1.069 185 A CA 0.800 52.717 52.037 -0.201 0.000 0.763 185 A CB -0.002 18.672 19.000 -0.543 0.000 1.001 185 A HN 1.365 nan 8.150 nan 0.000 0.498 186 T N -1.852 112.574 114.554 -0.214 0.000 3.010 186 T HA 0.283 4.633 4.350 0.000 0.000 0.257 186 T C -0.180 174.108 174.700 -0.686 0.000 1.020 186 T CA 0.541 62.434 62.100 -0.346 0.000 0.938 186 T CB 0.149 68.936 68.868 -0.134 0.000 1.049 186 T HN 0.614 nan 8.240 nan 0.000 0.522 187 D N 0.208 120.364 120.400 -0.406 0.000 2.333 187 D HA 0.147 4.787 4.640 0.000 0.000 0.225 187 D C 0.028 176.347 176.300 0.033 0.000 1.345 187 D CA -0.374 53.517 54.000 -0.182 0.000 0.971 187 D CB 0.722 41.541 40.800 0.031 0.000 1.451 187 D HN 0.003 nan 8.370 nan 0.000 0.561 188 H N 2.212 121.387 119.070 0.177 0.000 2.545 188 H HA -0.032 4.524 4.556 0.000 0.000 0.282 188 H C 0.352 175.822 175.328 0.236 0.000 1.020 188 H CA 0.955 57.137 56.048 0.223 0.000 1.243 188 H CB 0.474 30.383 29.762 0.244 0.000 1.377 188 H HN 0.481 nan 8.280 nan 0.000 0.581 189 Y N -0.163 120.330 120.300 0.321 0.000 2.524 189 Y HA 0.215 4.765 4.550 0.000 0.000 0.266 189 Y C 0.740 176.770 175.900 0.218 0.000 1.180 189 Y CA -0.115 58.002 58.100 0.029 0.000 1.244 189 Y CB 0.772 39.038 38.460 -0.324 0.000 1.125 189 Y HN -0.123 nan 8.280 nan 0.000 0.524 190 R N 0.627 121.432 120.500 0.508 0.000 2.533 190 R HA 0.358 4.698 4.340 0.000 0.000 0.288 190 R C -1.224 175.307 176.300 0.385 0.000 1.039 190 R CA -0.668 55.691 56.100 0.432 0.000 0.909 190 R CB 0.894 31.351 30.300 0.262 0.000 1.195 190 R HN -0.065 nan 8.270 nan 0.000 0.438 191 I N 3.091 123.898 120.570 0.394 0.000 2.683 191 I HA -0.073 4.097 4.170 0.000 0.000 0.286 191 I C 0.694 176.922 176.117 0.186 0.000 1.175 191 I CA 0.447 61.876 61.300 0.215 0.000 1.429 191 I CB 0.201 38.339 38.000 0.230 0.000 1.371 191 I HN 0.708 nan 8.210 nan 0.000 0.569 192 D N 9.284 129.784 120.400 0.167 0.000 2.520 192 D HA -0.037 4.603 4.640 0.000 0.000 0.243 192 D C -1.525 174.805 176.300 0.050 0.000 1.160 192 D CA -0.942 53.102 54.000 0.073 0.000 0.877 192 D CB 1.378 42.167 40.800 -0.018 0.000 1.150 192 D HN 0.258 nan 8.370 nan 0.000 0.494 193 P HA -0.111 nan 4.420 nan 0.000 0.223 193 P C 1.008 178.301 177.300 -0.012 0.000 1.144 193 P CA 0.952 64.072 63.100 0.033 0.000 0.783 193 P CB 0.172 31.884 31.700 0.020 0.000 0.771 194 R N -2.124 118.304 120.500 -0.121 0.000 2.235 194 R HA -0.064 4.276 4.340 0.000 0.000 0.213 194 R C 1.681 177.881 176.300 -0.167 0.000 1.059 194 R CA 0.977 56.967 56.100 -0.184 0.000 0.997 194 R CB -0.445 29.685 30.300 -0.283 0.000 0.884 194 R HN 0.292 nan 8.270 nan 0.000 0.462 195 Y N -0.865 119.469 120.300 0.056 0.000 2.476 195 Y HA 0.280 4.830 4.550 -0.000 0.000 0.283 195 Y C 1.453 177.399 175.900 0.077 0.000 1.109 195 Y CA 0.582 58.721 58.100 0.065 0.000 1.246 195 Y CB 0.467 38.961 38.460 0.056 0.000 1.068 195 Y HN 0.161 nan 8.280 nan 0.000 0.552 196 G N -0.723 108.208 108.800 0.217 0.000 2.302 196 G HA2 0.203 4.163 3.960 0.000 0.000 0.264 196 G HA3 0.203 4.163 3.960 0.000 0.000 0.264 196 G C -0.969 174.046 174.900 0.192 0.000 1.335 196 G CA -0.518 44.688 45.100 0.177 0.000 0.982 196 G HN 0.290 nan 8.290 nan 0.000 0.473 197 S N -0.473 115.348 115.700 0.201 0.000 2.722 197 S HA 0.534 5.004 4.470 0.000 0.000 0.292 197 S C 1.123 175.920 174.600 0.328 0.000 1.135 197 S CA 0.155 58.494 58.200 0.232 0.000 1.003 197 S CB 1.717 65.034 63.200 0.195 0.000 1.067 197 S HN 0.598 nan 8.310 nan 0.000 0.546 198 N N 1.305 120.249 118.700 0.406 0.000 2.094 198 N HA -0.127 4.613 4.740 0.000 0.000 0.191 198 N C 1.460 177.274 175.510 0.506 0.000 1.023 198 N CA 1.870 55.279 53.050 0.597 0.000 0.857 198 N CB -0.718 38.195 38.487 0.711 0.000 1.013 198 N HN 0.754 nan 8.380 nan 0.000 0.426 199 E N 0.503 120.924 120.200 0.367 0.000 2.110 199 E HA -0.121 4.229 4.350 0.000 0.000 0.193 199 E C 1.339 178.040 176.600 0.169 0.000 0.988 199 E CA 0.985 57.525 56.400 0.233 0.000 0.804 199 E CB -0.177 29.634 29.700 0.186 0.000 0.745 199 E HN 0.348 nan 8.360 nan 0.000 0.458 200 D N -0.248 120.271 120.400 0.198 0.000 2.123 200 D HA -0.165 4.475 4.640 0.000 0.000 0.196 200 D C 1.641 178.053 176.300 0.187 0.000 0.992 200 D CA 0.747 54.845 54.000 0.163 0.000 0.833 200 D CB -0.300 40.605 40.800 0.175 0.000 0.954 200 D HN 0.133 nan 8.370 nan 0.000 0.455 201 F N 1.482 121.495 119.950 0.106 0.000 2.113 201 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 201 F C 2.236 178.047 175.800 0.018 0.000 1.103 201 F CA 0.832 58.879 58.000 0.078 0.000 1.248 201 F CB -0.399 38.692 39.000 0.152 0.000 0.999 201 F HN -0.224 nan 8.300 nan 0.000 0.475 202 V N 0.809 120.723 119.914 0.000 0.000 2.324 202 V HA -0.350 3.770 4.120 0.000 0.000 0.250 202 V C 2.590 178.577 176.094 -0.178 0.000 1.060 202 V CA 2.379 64.553 62.300 -0.211 0.000 1.042 202 V CB -0.847 30.804 31.823 -0.288 0.000 0.650 202 V HN 0.304 nan 8.190 nan 0.000 0.450 203 R N -0.486 119.962 120.500 -0.086 0.000 2.096 203 R HA -0.168 4.172 4.340 0.000 0.000 0.235 203 R C 2.249 178.488 176.300 -0.100 0.000 1.127 203 R CA 1.540 57.598 56.100 -0.070 0.000 0.968 203 R CB -0.358 29.930 30.300 -0.019 0.000 0.861 203 R HN 0.454 nan 8.270 nan 0.000 0.440 204 L N 0.278 121.425 121.223 -0.126 0.000 2.012 204 L HA -0.185 4.155 4.340 0.000 0.000 0.210 204 L C 2.230 178.976 176.870 -0.207 0.000 1.073 204 L CA 2.277 57.025 54.840 -0.153 0.000 0.748 204 L CB -0.995 40.955 42.059 -0.181 0.000 0.891 204 L HN 0.136 nan 8.230 nan 0.000 0.431 205 S N -1.449 114.063 115.700 -0.314 0.000 2.356 205 S HA -0.212 4.258 4.470 0.000 0.000 0.223 205 S C 2.077 176.579 174.600 -0.163 0.000 1.032 205 S CA 2.060 60.097 58.200 -0.272 0.000 1.005 205 S CB -0.672 62.329 63.200 -0.331 0.000 0.867 205 S HN 0.810 nan 8.310 nan 0.000 0.449 206 T N -0.235 114.233 114.554 -0.144 0.000 2.746 206 T HA -0.023 4.327 4.350 0.000 0.000 0.267 206 T C 1.665 176.320 174.700 -0.075 0.000 1.039 206 T CA 1.237 63.279 62.100 -0.097 0.000 1.142 206 T CB -0.551 68.267 68.868 -0.082 0.000 0.866 206 T HN 0.297 nan 8.240 nan 0.000 0.444 207 E N 1.793 121.948 120.200 -0.074 0.000 2.077 207 E HA 0.031 4.381 4.350 0.000 0.000 0.193 207 E C 2.652 179.221 176.600 -0.052 0.000 0.989 207 E CA 1.314 57.680 56.400 -0.058 0.000 0.800 207 E CB -0.796 28.872 29.700 -0.055 0.000 0.746 207 E HN 0.702 nan 8.360 nan 0.000 0.452 208 A N 1.482 124.264 122.820 -0.063 0.000 1.902 208 A HA -0.196 4.124 4.320 0.000 0.000 0.217 208 A C 2.237 179.796 177.584 -0.042 0.000 1.181 208 A CA 1.711 53.719 52.037 -0.049 0.000 0.623 208 A CB -0.509 18.454 19.000 -0.061 0.000 0.818 208 A HN 0.142 nan 8.150 nan 0.000 0.443 209 R N -0.004 120.463 120.500 -0.054 0.000 2.096 209 R HA -0.126 4.214 4.340 0.000 0.000 0.235 209 R C 1.960 178.239 176.300 -0.035 0.000 1.127 209 R CA 1.668 57.741 56.100 -0.045 0.000 0.968 209 R CB -0.231 30.036 30.300 -0.055 0.000 0.861 209 R HN 0.490 nan 8.270 nan 0.000 0.440 210 K N -0.034 120.344 120.400 -0.036 0.000 2.211 210 K HA -0.144 4.176 4.320 0.000 0.000 0.204 210 K C 1.453 178.039 176.600 -0.023 0.000 1.047 210 K CA 1.266 57.536 56.287 -0.029 0.000 0.935 210 K CB 0.012 32.494 32.500 -0.031 0.000 0.728 210 K HN 0.218 nan 8.250 nan 0.000 0.452 211 R N -0.450 120.036 120.500 -0.023 0.000 2.466 211 R HA 0.091 4.431 4.340 0.000 0.000 0.279 211 R C 0.528 176.820 176.300 -0.013 0.000 0.976 211 R CA 0.308 56.398 56.100 -0.016 0.000 1.081 211 R CB 0.813 31.105 30.300 -0.014 0.000 1.215 211 R HN 0.288 nan 8.270 nan 0.000 0.546 212 G N 1.193 109.984 108.800 -0.016 0.000 2.143 212 G HA2 -0.297 3.663 3.960 0.000 0.000 0.248 212 G HA3 -0.297 3.663 3.960 0.000 0.000 0.248 212 G C 0.031 174.927 174.900 -0.006 0.000 0.991 212 G CA 0.078 45.170 45.100 -0.013 0.000 0.689 212 G HN 0.220 nan 8.290 nan 0.000 0.522 213 M N 0.296 119.892 119.600 -0.006 0.000 2.393 213 M HA 0.578 5.058 4.480 0.000 0.000 0.316 213 M C 0.772 177.069 176.300 -0.004 0.000 1.087 213 M CA -0.206 55.098 55.300 0.007 0.000 0.937 213 M CB 2.157 34.765 32.600 0.014 0.000 1.668 213 M HN 0.216 nan 8.290 nan 0.000 0.438 214 G N 1.540 110.347 108.800 0.013 0.000 2.502 214 G HA2 0.656 4.616 3.960 0.000 0.000 0.305 214 G HA3 0.656 4.616 3.960 0.000 0.000 0.305 214 G C -1.783 173.116 174.900 -0.002 0.000 1.190 214 G CA -0.452 44.653 45.100 0.008 0.000 0.933 214 G HN 0.554 nan 8.290 nan 0.000 0.503 215 L N 0.450 121.660 121.223 -0.021 0.000 2.376 215 L HA 0.617 4.957 4.340 0.000 0.000 0.275 215 L C -0.752 176.127 176.870 0.014 0.000 0.987 215 L CA -0.624 54.195 54.840 -0.034 0.000 0.828 215 L CB 1.538 43.513 42.059 -0.140 0.000 1.249 215 L HN 0.397 nan 8.230 nan 0.000 0.409 216 I N 4.477 125.075 120.570 0.046 0.000 2.355 216 I HA 0.373 4.543 4.170 0.000 0.000 0.288 216 I C -0.195 175.984 176.117 0.103 0.000 0.999 216 I CA -0.455 60.873 61.300 0.046 0.000 1.163 216 I CB 1.660 39.593 38.000 -0.112 0.000 1.316 216 I HN 0.629 nan 8.210 nan 0.000 0.454 217 Q N 5.028 124.890 119.800 0.104 0.000 2.259 217 Q HA 0.149 4.489 4.340 0.000 0.000 0.249 217 Q C -0.844 175.182 176.000 0.042 0.000 0.914 217 Q CA -0.596 55.275 55.803 0.113 0.000 0.904 217 Q CB 1.447 30.241 28.738 0.092 0.000 1.213 217 Q HN 0.459 nan 8.270 nan 0.000 0.428 218 D N 3.242 123.686 120.400 0.073 0.000 2.347 218 D HA 0.260 4.900 4.640 0.000 0.000 0.235 218 D C -1.122 175.196 176.300 0.030 0.000 1.149 218 D CA -0.252 53.803 54.000 0.091 0.000 0.850 218 D CB 0.981 41.966 40.800 0.310 0.000 1.061 218 D HN 0.372 nan 8.370 nan 0.000 0.487 219 V N 1.645 121.593 119.914 0.056 0.000 2.555 219 V HA 0.663 4.783 4.120 0.000 0.000 0.302 219 V C -0.252 175.881 176.094 0.066 0.000 1.038 219 V CA -0.834 61.500 62.300 0.057 0.000 0.887 219 V CB 1.710 33.591 31.823 0.097 0.000 0.991 219 V HN 0.184 nan 8.190 nan 0.000 0.434 220 V N 5.693 125.634 119.914 0.045 0.000 2.435 220 V HA 0.430 4.550 4.120 0.000 0.000 0.290 220 V C 0.628 176.665 176.094 -0.095 0.000 1.030 220 V CA -0.253 62.011 62.300 -0.060 0.000 0.881 220 V CB 1.383 33.110 31.823 -0.161 0.000 0.983 220 V HN 0.932 nan 8.190 nan 0.000 0.445 221 L N 2.594 123.718 121.223 -0.165 0.000 2.500 221 L HA 0.112 4.452 4.340 0.000 0.000 0.219 221 L C 2.260 178.989 176.870 -0.234 0.000 1.057 221 L CA 0.648 55.385 54.840 -0.172 0.000 0.854 221 L CB -0.006 41.957 42.059 -0.161 0.000 1.078 221 L HN 0.726 nan 8.230 nan 0.000 0.480 222 S N -0.779 114.774 115.700 -0.244 0.000 2.387 222 S HA -0.045 4.425 4.470 0.000 0.000 0.226 222 S C 0.654 175.172 174.600 -0.136 0.000 1.026 222 S CA 0.377 58.472 58.200 -0.176 0.000 0.972 222 S CB -0.131 63.050 63.200 -0.031 0.000 0.814 222 S HN 0.542 nan 8.310 nan 0.000 0.477 223 H N -1.029 117.965 119.070 -0.126 0.000 2.960 223 H HA 0.656 5.212 4.556 0.000 0.000 0.338 223 H C -0.532 174.757 175.328 -0.065 0.000 1.261 223 H CA -0.884 55.075 56.048 -0.149 0.000 1.136 223 H CB 1.072 30.723 29.762 -0.186 0.000 1.875 223 H HN 0.353 nan 8.280 nan 0.000 0.550 224 I N -1.892 118.714 120.570 0.059 0.000 3.457 224 I HA 0.750 4.920 4.170 0.000 0.000 0.307 224 I C 0.039 176.184 176.117 0.047 0.000 1.138 224 I CA -1.493 59.820 61.300 0.022 0.000 0.974 224 I CB 2.058 40.026 38.000 -0.054 0.000 1.324 224 I HN 0.663 nan 8.210 nan 0.000 0.485 225 G N 0.601 109.422 108.800 0.035 0.000 2.448 225 G HA2 0.301 4.261 3.960 0.000 0.000 0.285 225 G HA3 0.301 4.261 3.960 0.000 0.000 0.285 225 G C 0.415 175.324 174.900 0.014 0.000 1.176 225 G CA -0.491 44.635 45.100 0.043 0.000 0.852 225 G HN 0.944 nan 8.290 nan 0.000 0.530 226 K N -0.312 120.073 120.400 -0.024 0.000 2.360 226 K HA -0.084 4.236 4.320 0.000 0.000 0.201 226 K C 0.978 177.489 176.600 -0.149 0.000 1.046 226 K CA 1.111 57.347 56.287 -0.086 0.000 0.945 226 K CB -0.013 32.421 32.500 -0.110 0.000 0.750 226 K HN 0.505 nan 8.250 nan 0.000 0.464 227 H N 0.200 119.305 119.070 0.057 0.000 2.533 227 H HA 0.034 4.590 4.556 0.000 0.000 0.271 227 H C 0.004 175.354 175.328 0.036 0.000 1.000 227 H CA 0.050 56.128 56.048 0.050 0.000 1.149 227 H CB -0.295 29.484 29.762 0.029 0.000 1.375 227 H HN 0.286 nan 8.280 nan 0.000 0.582 228 H N 1.669 120.729 119.070 -0.016 0.000 3.001 228 H HA -0.132 4.424 4.556 0.000 0.000 0.334 228 H C 1.275 176.522 175.328 -0.135 0.000 1.034 228 H CA 0.134 56.072 56.048 -0.184 0.000 1.420 228 H CB 0.401 29.943 29.762 -0.368 0.000 1.405 228 H HN 0.491 nan 8.280 nan 0.000 0.593 229 W N 4.919 126.146 121.300 -0.122 0.000 2.364 229 W HA -0.150 4.510 4.660 -0.000 0.000 0.281 229 W C 1.034 177.654 176.519 0.169 0.000 1.219 229 W CA -0.154 57.193 57.345 0.003 0.000 1.220 229 W CB -1.119 28.273 29.460 -0.113 0.000 1.127 229 W HN 0.541 nan 8.180 nan 0.000 0.556 230 W N 1.117 122.186 121.300 -0.385 0.000 2.325 230 W HA -0.207 4.453 4.660 0.000 0.000 0.299 230 W C 2.376 178.768 176.519 -0.212 0.000 1.215 230 W CA 0.996 58.010 57.345 -0.550 0.000 1.244 230 W CB -1.313 27.623 29.460 -0.872 0.000 1.140 230 W HN -0.086 nan 8.180 nan 0.000 0.523 231 M N 0.175 119.859 119.600 0.140 0.000 2.374 231 M HA -0.120 4.360 4.480 0.000 0.000 0.264 231 M C 1.626 178.001 176.300 0.126 0.000 1.067 231 M CA 1.139 56.507 55.300 0.113 0.000 1.103 231 M CB -1.301 31.359 32.600 0.099 0.000 1.402 231 M HN 0.048 nan 8.290 nan 0.000 0.444 232 K N -0.153 120.348 120.400 0.168 0.000 2.365 232 K HA -0.073 4.247 4.320 0.000 0.000 0.199 232 K C -0.048 176.656 176.600 0.174 0.000 1.045 232 K CA 0.650 57.043 56.287 0.176 0.000 0.962 232 K CB 0.133 32.766 32.500 0.222 0.000 0.759 232 K HN 0.141 nan 8.250 nan 0.000 0.469 233 D N 0.055 120.563 120.400 0.180 0.000 2.684 233 D HA 0.089 4.729 4.640 0.000 0.000 0.233 233 D C -1.119 175.257 176.300 0.127 0.000 1.374 233 D CA -0.145 53.973 54.000 0.197 0.000 0.906 233 D CB 0.026 41.006 40.800 0.300 0.000 1.526 233 D HN -0.104 nan 8.370 nan 0.000 0.518 234 L N 3.434 124.650 121.223 -0.012 0.000 2.513 234 L HA 0.176 4.516 4.340 0.000 0.000 0.272 234 L C -1.054 175.536 176.870 -0.466 0.000 1.187 234 L CA -1.046 53.656 54.840 -0.230 0.000 0.895 234 L CB 0.540 42.533 42.059 -0.111 0.000 1.147 234 L HN 0.226 nan 8.230 nan 0.000 0.483 235 P HA -0.120 nan 4.420 nan 0.000 0.216 235 P C 0.176 177.080 177.300 -0.661 0.000 1.153 235 P CA 1.201 63.353 63.100 -1.579 0.000 0.858 235 P CB 0.152 30.336 31.700 -2.527 0.000 0.789 236 T N -7.950 106.381 114.554 -0.371 0.000 2.883 236 T HA 0.426 4.776 4.350 0.000 0.000 0.301 236 T C -2.597 172.081 174.700 -0.037 0.000 1.158 236 T CA -2.134 59.910 62.100 -0.093 0.000 1.007 236 T CB 1.675 70.556 68.868 0.021 0.000 1.186 236 T HN -0.297 nan 8.240 nan 0.000 0.499 237 P HA 0.025 nan 4.420 nan 0.000 0.222 237 P C 0.589 177.899 177.300 0.017 0.000 1.147 237 P CA 0.986 64.090 63.100 0.006 0.000 0.790 237 P CB -0.046 31.658 31.700 0.007 0.000 0.780 238 D N -2.965 117.439 120.400 0.007 0.000 2.462 238 D HA -0.059 4.581 4.640 0.000 0.000 0.221 238 D C 1.342 177.615 176.300 -0.045 0.000 1.173 238 D CA -0.592 53.392 54.000 -0.026 0.000 0.831 238 D CB -1.241 39.521 40.800 -0.064 0.000 1.001 238 D HN 0.208 nan 8.370 nan 0.000 0.499 239 W N 0.990 122.147 121.300 -0.240 0.000 2.358 239 W HA 0.005 4.665 4.660 -0.000 0.000 0.303 239 W C -0.283 176.062 176.519 -0.290 0.000 1.208 239 W CA 0.603 57.741 57.345 -0.344 0.000 1.274 239 W CB 0.292 29.465 29.460 -0.478 0.000 1.138 239 W HN -0.119 nan 8.180 nan 0.000 0.515 240 I N 1.645 122.226 120.570 0.018 0.000 2.412 240 I HA 0.109 4.279 4.170 0.000 0.000 0.296 240 I C -0.068 176.063 176.117 0.024 0.000 0.987 240 I CA -1.034 60.261 61.300 -0.009 0.000 1.180 240 I CB 0.607 38.670 38.000 0.105 0.000 1.340 240 I HN -0.133 nan 8.210 nan 0.000 0.455 241 N N 5.042 123.739 118.700 -0.005 0.000 2.407 241 N HA 0.004 4.744 4.740 0.000 0.000 0.250 241 N C -0.756 174.865 175.510 0.185 0.000 1.236 241 N CA 0.228 53.244 53.050 -0.057 0.000 0.879 241 N CB 0.030 38.437 38.487 -0.134 0.000 1.088 241 N HN 0.415 nan 8.380 nan 0.000 0.450 242 Y N -0.346 120.034 120.300 0.134 0.000 3.929 242 Y HA -0.215 4.335 4.550 0.000 0.000 0.225 242 Y C 1.316 177.263 175.900 0.077 0.000 1.200 242 Y CA 0.781 58.925 58.100 0.074 0.000 1.791 242 Y CB -2.166 36.302 38.460 0.014 0.000 1.561 242 Y HN 0.904 nan 8.280 nan 0.000 0.657 243 G N -1.070 107.819 108.800 0.148 0.000 2.283 243 G HA2 0.098 4.058 3.960 0.000 0.000 0.280 243 G HA3 0.098 4.058 3.960 0.000 0.000 0.280 243 G C 1.435 176.438 174.900 0.171 0.000 1.029 243 G CA 1.242 46.416 45.100 0.123 0.000 0.840 243 G HN 2.128 nan 8.290 nan 0.000 0.505 244 G N -1.232 107.738 108.800 0.284 0.000 2.176 244 G HA2 -0.133 3.827 3.960 0.000 0.000 0.253 244 G HA3 -0.133 3.827 3.960 0.000 0.000 0.253 244 G C 0.351 175.502 174.900 0.418 0.000 0.979 244 G CA 1.283 46.609 45.100 0.377 0.000 0.641 244 G HN 2.000 nan 8.290 nan 0.000 0.530 245 K N -0.360 120.172 120.400 0.221 0.000 2.159 245 K HA 0.688 5.008 4.320 0.000 0.000 0.266 245 K C 0.063 176.264 176.600 -0.665 0.000 0.975 245 K CA -1.259 54.973 56.287 -0.091 0.000 0.865 245 K CB 1.283 33.740 32.500 -0.071 0.000 1.087 245 K HN 0.298 nan 8.250 nan 0.000 0.446 246 F N 4.057 123.311 119.950 -1.160 0.000 2.538 246 F HA 0.179 4.706 4.527 -0.000 0.000 0.382 246 F C -1.104 174.119 175.800 -0.961 0.000 1.069 246 F CA -0.027 57.000 58.000 -1.622 0.000 1.138 246 F CB 0.330 38.815 39.000 -0.859 0.000 1.068 246 F HN 0.240 nan 8.300 nan 0.000 0.556 247 V N 9.252 128.286 119.914 -1.467 0.000 2.447 247 V HA 0.326 4.446 4.120 0.000 0.000 0.292 247 V C -2.143 173.410 176.094 -0.902 0.000 1.021 247 V CA -1.635 59.952 62.300 -1.189 0.000 0.850 247 V CB 1.693 32.817 31.823 -1.165 0.000 1.005 247 V HN 0.636 nan 8.190 nan 0.000 0.426 248 P HA 0.124 nan 4.420 nan 0.000 0.275 248 P C 0.020 177.179 177.300 -0.234 0.000 1.227 248 P CA 0.142 63.010 63.100 -0.386 0.000 0.781 248 P CB 1.032 32.556 31.700 -0.293 0.000 0.906 249 T N 1.912 116.366 114.554 -0.167 0.000 2.918 249 T HA 0.050 4.400 4.350 0.000 0.000 0.302 249 T C 0.929 175.387 174.700 -0.403 0.000 1.045 249 T CA 0.200 62.139 62.100 -0.268 0.000 1.114 249 T CB 0.101 68.759 68.868 -0.349 0.000 0.965 249 T HN 0.262 nan 8.240 nan 0.000 0.540 250 Q N 1.499 121.109 119.800 -0.316 0.000 2.219 250 Q HA 0.257 4.597 4.340 0.000 0.000 0.209 250 Q C 0.026 175.810 176.000 -0.360 0.000 0.854 250 Q CA 0.069 55.686 55.803 -0.309 0.000 0.960 250 Q CB 0.003 28.580 28.738 -0.269 0.000 1.116 250 Q HN 0.815 nan 8.270 nan 0.000 0.500 251 H N -1.397 117.611 119.070 -0.103 0.000 2.903 251 H HA -0.172 4.384 4.556 0.000 0.000 0.285 251 H C -0.902 174.430 175.328 0.007 0.000 1.231 251 H CA 0.597 56.738 56.048 0.156 0.000 1.135 251 H CB -2.171 27.636 29.762 0.074 0.000 1.328 251 H HN 0.557 nan 8.280 nan 0.000 0.388 252 H N 1.539 120.716 119.070 0.179 0.000 2.998 252 H HA 0.060 4.616 4.556 -0.000 0.000 0.241 252 H C 1.852 176.846 175.328 -0.557 0.000 1.852 252 H CA 0.215 56.210 56.048 -0.088 0.000 1.419 252 H CB 0.343 30.089 29.762 -0.026 0.000 1.793 252 H HN 0.481 nan 8.280 nan 0.000 0.553 253 R N 0.725 120.778 120.500 -0.745 0.000 2.120 253 R HA -0.125 4.215 4.340 0.000 0.000 0.234 253 R C 1.462 177.377 176.300 -0.641 0.000 1.123 253 R CA 1.722 56.940 56.100 -1.470 0.000 0.975 253 R CB -0.501 29.387 30.300 -0.687 0.000 0.866 253 R HN 0.458 nan 8.270 nan 0.000 0.446 254 V N -1.660 118.082 119.914 -0.285 0.000 2.970 254 V HA 0.158 4.278 4.120 0.000 0.000 0.260 254 V C 2.397 178.414 176.094 -0.128 0.000 1.100 254 V CA 1.081 63.291 62.300 -0.149 0.000 1.122 254 V CB -0.430 31.346 31.823 -0.077 0.000 0.721 254 V HN 0.361 nan 8.190 nan 0.000 0.483 255 A N 1.478 124.211 122.820 -0.144 0.000 2.019 255 A HA -0.080 4.240 4.320 0.000 0.000 0.219 255 A C 2.309 179.874 177.584 -0.031 0.000 1.164 255 A CA 2.105 54.109 52.037 -0.055 0.000 0.644 255 A CB -0.805 18.194 19.000 -0.001 0.000 0.805 255 A HN 1.272 nan 8.150 nan 0.000 0.449 256 V N -2.003 117.873 119.914 -0.063 0.000 3.380 256 V HA -0.004 4.116 4.120 0.000 0.000 0.268 256 V C 0.880 176.907 176.094 -0.112 0.000 1.168 256 V CA 1.385 63.665 62.300 -0.033 0.000 1.156 256 V CB -0.980 30.881 31.823 0.064 0.000 0.785 256 V HN 0.801 nan 8.190 nan 0.000 0.487 257 Q N 0.089 119.839 119.800 -0.084 0.000 2.409 257 Q HA 0.458 4.798 4.340 0.000 0.000 0.345 257 Q C -0.886 175.196 176.000 0.137 0.000 0.847 257 Q CA -0.292 55.498 55.803 -0.021 0.000 1.092 257 Q CB 0.505 29.130 28.738 -0.189 0.000 1.377 257 Q HN 0.466 nan 8.270 nan 0.000 0.399 258 D N 1.297 121.778 120.400 0.135 0.000 2.788 258 D HA 0.262 4.902 4.640 0.000 0.000 0.247 258 D C -1.890 174.389 176.300 -0.035 0.000 1.236 258 D CA -2.127 51.852 54.000 -0.036 0.000 0.898 258 D CB 2.238 43.015 40.800 -0.038 0.000 1.401 258 D HN -0.027 nan 8.370 nan 0.000 0.549 259 P HA -0.107 nan 4.420 nan 0.000 0.220 259 P C 0.451 177.584 177.300 -0.279 0.000 1.148 259 P CA 0.878 63.766 63.100 -0.353 0.000 0.803 259 P CB 0.148 31.360 31.700 -0.814 0.000 0.782 260 Y N -0.246 120.032 120.300 -0.037 0.000 2.493 260 Y HA 0.468 5.018 4.550 0.000 0.000 0.275 260 Y C 1.458 177.345 175.900 -0.022 0.000 1.183 260 Y CA -1.383 56.698 58.100 -0.032 0.000 1.258 260 Y CB -1.082 37.345 38.460 -0.056 0.000 1.108 260 Y HN -0.103 nan 8.280 nan 0.000 0.521 261 A N 1.082 123.957 122.820 0.093 0.000 2.462 261 A HA 0.572 4.892 4.320 0.000 0.000 0.243 261 A C 0.557 178.173 177.584 0.054 0.000 1.076 261 A CA 0.033 52.104 52.037 0.057 0.000 0.773 261 A CB -0.043 18.981 19.000 0.040 0.000 1.010 261 A HN 0.363 nan 8.150 nan 0.000 0.493 262 A N 1.597 124.438 122.820 0.036 0.000 2.331 262 A HA 0.450 4.770 4.320 0.000 0.000 0.283 262 A C 1.011 178.621 177.584 0.044 0.000 1.142 262 A CA -0.543 51.514 52.037 0.033 0.000 0.812 262 A CB 0.351 19.361 19.000 0.018 0.000 1.074 262 A HN 0.866 nan 8.150 nan 0.000 0.497 263 Q N 1.726 121.553 119.800 0.045 0.000 2.181 263 Q HA -0.218 4.122 4.340 0.000 0.000 0.205 263 Q C 2.312 178.352 176.000 0.066 0.000 0.980 263 Q CA 1.758 57.592 55.803 0.053 0.000 0.862 263 Q CB -0.629 28.135 28.738 0.044 0.000 0.905 263 Q HN 0.938 nan 8.270 nan 0.000 0.429 264 A N 1.584 124.439 122.820 0.060 0.000 1.917 264 A HA -0.223 4.097 4.320 0.000 0.000 0.219 264 A C 1.750 179.395 177.584 0.101 0.000 1.182 264 A CA 1.950 54.030 52.037 0.072 0.000 0.633 264 A CB -0.371 18.659 19.000 0.050 0.000 0.819 264 A HN 0.228 nan 8.150 nan 0.000 0.448 265 D N -1.114 119.343 120.400 0.095 0.000 2.137 265 D HA -0.055 4.585 4.640 0.000 0.000 0.202 265 D C 2.308 178.709 176.300 0.169 0.000 0.970 265 D CA 1.374 55.462 54.000 0.146 0.000 0.837 265 D CB -0.313 40.539 40.800 0.086 0.000 0.981 265 D HN 0.395 nan 8.370 nan 0.000 0.475 266 S N 0.313 116.088 115.700 0.125 0.000 2.348 266 S HA -0.160 4.310 4.470 0.000 0.000 0.221 266 S C 1.739 176.444 174.600 0.175 0.000 1.033 266 S CA 1.062 59.347 58.200 0.141 0.000 1.010 266 S CB -0.041 63.214 63.200 0.093 0.000 0.891 266 S HN 0.088 nan 8.310 nan 0.000 0.442 267 E N 1.526 121.809 120.200 0.138 0.000 2.085 267 E HA -0.154 4.196 4.350 0.000 0.000 0.194 267 E C 2.058 178.769 176.600 0.186 0.000 0.994 267 E CA 0.818 57.298 56.400 0.135 0.000 0.801 267 E CB -0.781 28.989 29.700 0.117 0.000 0.743 267 E HN 0.669 nan 8.360 nan 0.000 0.453 268 N N -0.021 118.798 118.700 0.199 0.000 2.244 268 N HA -0.155 4.585 4.740 0.000 0.000 0.183 268 N C 1.768 177.391 175.510 0.190 0.000 1.016 268 N CA 0.558 53.722 53.050 0.191 0.000 0.866 268 N CB -0.112 38.459 38.487 0.140 0.000 0.980 268 N HN 0.049 nan 8.380 nan 0.000 0.430 269 F N 1.699 121.675 119.950 0.044 0.000 2.163 269 F HA -0.059 4.468 4.527 -0.000 0.000 0.297 269 F C 2.654 178.477 175.800 0.038 0.000 1.094 269 F CA 1.841 59.830 58.000 -0.019 0.000 1.290 269 F CB -0.620 38.345 39.000 -0.059 0.000 1.017 269 F HN 0.080 nan 8.300 nan 0.000 0.483 270 T N -3.389 111.222 114.554 0.095 0.000 3.057 270 T HA 0.084 4.434 4.350 0.000 0.000 0.254 270 T C 1.639 176.350 174.700 0.019 0.000 1.094 270 T CA 0.500 62.611 62.100 0.019 0.000 1.088 270 T CB -0.077 68.844 68.868 0.087 0.000 0.934 270 T HN 0.226 nan 8.240 nan 0.000 0.497 271 K N 0.645 121.091 120.400 0.077 0.000 2.399 271 K HA 0.306 4.626 4.320 0.000 0.000 0.196 271 K C 1.336 178.145 176.600 0.349 0.000 1.103 271 K CA -0.010 56.328 56.287 0.084 0.000 0.986 271 K CB 0.445 32.887 32.500 -0.097 0.000 0.952 271 K HN 0.372 nan 8.250 nan 0.000 0.541 272 G N 1.502 110.509 108.800 0.345 0.000 2.414 272 G HA2 -0.048 3.912 3.960 0.000 0.000 0.236 272 G HA3 -0.048 3.912 3.960 0.000 0.000 0.236 272 G C -0.842 174.278 174.900 0.365 0.000 1.293 272 G CA -0.243 45.050 45.100 0.323 0.000 0.869 272 G HN 0.079 nan 8.290 nan 0.000 0.556 273 W N 2.399 123.748 121.300 0.081 0.000 2.266 273 W HA 0.361 5.021 4.660 -0.000 0.000 0.317 273 W C 0.996 177.565 176.519 0.083 0.000 1.310 273 W CA -1.101 56.334 57.345 0.151 0.000 1.207 273 W CB 0.157 29.823 29.460 0.343 0.000 1.199 273 W HN 0.536 nan 8.180 nan 0.000 0.544 274 F N 2.435 122.416 119.950 0.053 0.000 2.095 274 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 274 F C 1.043 176.858 175.800 0.026 0.000 1.104 274 F CA 2.243 60.174 58.000 -0.116 0.000 1.232 274 F CB -0.056 38.677 39.000 -0.445 0.000 0.987 274 F HN 0.010 nan 8.300 nan 0.000 0.475 275 V N -3.852 116.231 119.914 0.282 0.000 3.232 275 V HA 0.312 4.432 4.120 0.000 0.000 0.303 275 V C 0.721 176.850 176.094 0.058 0.000 1.311 275 V CA -0.723 61.676 62.300 0.165 0.000 1.061 275 V CB 1.295 33.160 31.823 0.071 0.000 1.085 275 V HN 0.054 nan 8.190 nan 0.000 0.447 276 E N 1.372 121.274 120.200 -0.498 0.000 2.160 276 E HA -0.100 4.250 4.350 0.000 0.000 0.195 276 E C 1.688 178.239 176.600 -0.081 0.000 0.991 276 E CA 1.969 57.880 56.400 -0.816 0.000 0.810 276 E CB -0.348 28.653 29.700 -1.166 0.000 0.742 276 E HN 1.088 nan 8.360 nan 0.000 0.466 277 G N -0.240 108.533 108.800 -0.045 0.000 3.026 277 G HA2 0.042 4.002 3.960 0.000 0.000 0.208 277 G HA3 0.042 4.002 3.960 0.000 0.000 0.208 277 G C 0.471 175.384 174.900 0.022 0.000 1.169 277 G CA -0.257 44.854 45.100 0.018 0.000 0.788 277 G HN 0.098 nan 8.290 nan 0.000 0.533 278 M N 1.319 120.927 119.600 0.013 0.000 2.236 278 M HA 0.261 4.741 4.480 0.000 0.000 0.228 278 M C -2.771 173.286 176.300 -0.405 0.000 0.906 278 M CA -1.746 53.480 55.300 -0.122 0.000 0.761 278 M CB 2.369 34.824 32.600 -0.242 0.000 1.439 278 M HN -0.219 nan 8.290 nan 0.000 0.394 279 P HA -0.038 nan 4.420 nan 0.000 0.265 279 P C -0.918 175.810 177.300 -0.952 0.000 1.187 279 P CA 0.354 62.526 63.100 -1.546 0.000 0.766 279 P CB 0.468 31.705 31.700 -0.771 0.000 0.820 280 D N 2.156 121.843 120.400 -1.188 0.000 2.274 280 D HA 0.259 4.899 4.640 0.000 0.000 0.239 280 D C -0.406 175.702 176.300 -0.320 0.000 1.104 280 D CA -0.377 53.319 54.000 -0.507 0.000 0.840 280 D CB 0.314 40.921 40.800 -0.322 0.000 1.100 280 D HN 0.175 nan 8.370 nan 0.000 0.477 281 L N 3.510 124.572 121.223 -0.268 0.000 2.380 281 L HA 0.207 4.547 4.340 0.000 0.000 0.273 281 L C 0.563 177.208 176.870 -0.376 0.000 1.138 281 L CA -0.507 54.129 54.840 -0.341 0.000 0.832 281 L CB 0.483 42.328 42.059 -0.357 0.000 1.124 281 L HN 0.461 nan 8.230 nan 0.000 0.454 282 N N 2.681 121.121 118.700 -0.433 0.000 2.508 282 N HA 0.050 4.790 4.740 0.000 0.000 0.253 282 N C 0.465 175.697 175.510 -0.462 0.000 1.145 282 N CA 0.097 52.916 53.050 -0.384 0.000 0.973 282 N CB 0.695 38.985 38.487 -0.330 0.000 1.305 282 N HN 0.517 nan 8.380 nan 0.000 0.506 283 Q N 0.409 119.945 119.800 -0.441 0.000 2.482 283 Q HA -0.039 4.301 4.340 0.000 0.000 0.209 283 Q C 1.458 177.298 176.000 -0.266 0.000 0.961 283 Q CA 0.921 56.413 55.803 -0.519 0.000 0.945 283 Q CB 0.231 28.473 28.738 -0.827 0.000 1.012 283 Q HN 0.740 nan 8.270 nan 0.000 0.515 284 T N -1.872 112.559 114.554 -0.204 0.000 3.035 284 T HA -0.073 4.277 4.350 0.000 0.000 0.268 284 T C 0.934 175.542 174.700 -0.153 0.000 1.109 284 T CA 0.135 62.162 62.100 -0.123 0.000 1.119 284 T CB -0.051 68.759 68.868 -0.096 0.000 0.900 284 T HN 0.029 nan 8.240 nan 0.000 0.503 285 N N 3.130 121.682 118.700 -0.246 0.000 2.420 285 N HA 0.137 4.877 4.740 0.000 0.000 0.262 285 N C -1.529 173.824 175.510 -0.262 0.000 1.144 285 N CA -2.096 50.793 53.050 -0.268 0.000 0.952 285 N CB 1.717 39.978 38.487 -0.376 0.000 1.081 285 N HN 0.118 nan 8.380 nan 0.000 0.480 286 P HA -0.143 nan 4.420 nan 0.000 0.219 286 P C 1.475 178.686 177.300 -0.147 0.000 1.146 286 P CA 1.025 64.055 63.100 -0.117 0.000 0.808 286 P CB 0.411 32.064 31.700 -0.079 0.000 0.779 287 L N -1.035 120.036 121.223 -0.253 0.000 2.093 287 L HA -0.107 4.233 4.340 0.000 0.000 0.208 287 L C 2.681 179.401 176.870 -0.250 0.000 1.085 287 L CA 1.091 55.782 54.840 -0.248 0.000 0.755 287 L CB -1.082 40.711 42.059 -0.443 0.000 0.904 287 L HN -0.157 nan 8.230 nan 0.000 0.435 288 V N 0.086 119.622 119.914 -0.629 0.000 2.379 288 V HA -0.222 3.898 4.120 0.000 0.000 0.245 288 V C 2.784 178.706 176.094 -0.288 0.000 1.044 288 V CA 1.675 63.509 62.300 -0.778 0.000 1.036 288 V CB -0.832 30.329 31.823 -1.103 0.000 0.664 288 V HN 0.447 nan 8.190 nan 0.000 0.453 289 A N 0.698 123.404 122.820 -0.191 0.000 1.858 289 A HA -0.242 4.078 4.320 0.000 0.000 0.216 289 A C 2.076 179.809 177.584 0.249 0.000 1.190 289 A CA 2.143 54.251 52.037 0.118 0.000 0.617 289 A CB -0.740 18.406 19.000 0.245 0.000 0.827 289 A HN 0.576 nan 8.150 nan 0.000 0.443 290 N N -1.444 117.342 118.700 0.143 0.000 2.149 290 N HA -0.183 4.557 4.740 0.000 0.000 0.188 290 N C 1.553 177.191 175.510 0.213 0.000 1.019 290 N CA 1.706 54.848 53.050 0.154 0.000 0.857 290 N CB -0.651 37.906 38.487 0.118 0.000 0.997 290 N HN 0.698 nan 8.380 nan 0.000 0.426 291 Y N 1.436 121.826 120.300 0.150 0.000 2.145 291 Y HA -0.083 4.467 4.550 -0.000 0.000 0.286 291 Y C 2.180 178.230 175.900 0.249 0.000 1.145 291 Y CA 1.402 59.651 58.100 0.248 0.000 1.148 291 Y CB -0.314 38.326 38.460 0.300 0.000 0.981 291 Y HN -0.036 nan 8.280 nan 0.000 0.507 292 L N -0.652 120.767 121.223 0.327 0.000 2.072 292 L HA -0.182 4.158 4.340 0.000 0.000 0.205 292 L C 2.376 179.454 176.870 0.347 0.000 1.079 292 L CA 1.184 56.192 54.840 0.280 0.000 0.752 292 L CB -0.490 41.733 42.059 0.273 0.000 0.906 292 L HN 0.255 nan 8.230 nan 0.000 0.436 293 I N -0.453 120.360 120.570 0.405 0.000 2.142 293 I HA -0.334 3.836 4.170 0.000 0.000 0.240 293 I C 2.656 178.921 176.117 0.247 0.000 1.078 293 I CA 1.489 62.975 61.300 0.311 0.000 1.343 293 I CB -0.263 37.847 38.000 0.184 0.000 1.046 293 I HN 0.316 nan 8.210 nan 0.000 0.405 294 Q N 0.139 120.070 119.800 0.219 0.000 2.119 294 Q HA -0.219 4.121 4.340 0.000 0.000 0.201 294 Q C 2.097 178.340 176.000 0.405 0.000 0.972 294 Q CA 1.490 57.488 55.803 0.324 0.000 0.847 294 Q CB -0.380 28.405 28.738 0.078 0.000 0.903 294 Q HN 0.524 nan 8.270 nan 0.000 0.433 295 N N 0.816 119.593 118.700 0.129 0.000 2.120 295 N HA -0.176 4.564 4.740 0.000 0.000 0.188 295 N C 1.205 176.876 175.510 0.267 0.000 1.024 295 N CA 1.298 54.317 53.050 -0.051 0.000 0.852 295 N CB 0.070 38.298 38.487 -0.431 0.000 1.003 295 N HN 0.191 nan 8.380 nan 0.000 0.424 296 N N 0.963 119.865 118.700 0.337 0.000 2.216 296 N HA 0.020 4.760 4.740 0.000 0.000 0.183 296 N C 1.906 177.650 175.510 0.391 0.000 1.017 296 N CA 0.530 53.831 53.050 0.419 0.000 0.861 296 N CB -0.280 38.453 38.487 0.409 0.000 0.986 296 N HN 0.338 nan 8.380 nan 0.000 0.428 297 I N -0.670 120.117 120.570 0.361 0.000 2.208 297 I HA -0.260 3.910 4.170 0.000 0.000 0.245 297 I C 2.158 178.442 176.117 0.279 0.000 1.097 297 I CA 0.959 62.459 61.300 0.334 0.000 1.363 297 I CB -0.174 38.038 38.000 0.353 0.000 1.051 297 I HN 0.243 nan 8.210 nan 0.000 0.413 298 W N 0.954 122.405 121.300 0.252 0.000 2.335 298 W HA -0.241 4.418 4.660 -0.000 0.000 0.311 298 W C 2.187 178.834 176.519 0.214 0.000 1.213 298 W CA 1.441 58.937 57.345 0.253 0.000 1.274 298 W CB -0.575 29.080 29.460 0.324 0.000 1.148 298 W HN 0.081 nan 8.180 nan 0.000 0.498 299 W N 0.188 121.768 121.300 0.467 0.000 2.358 299 W HA -0.179 4.481 4.660 0.000 0.000 0.303 299 W C 2.331 178.911 176.519 0.102 0.000 1.208 299 W CA 1.384 58.916 57.345 0.312 0.000 1.274 299 W CB -0.752 28.911 29.460 0.339 0.000 1.138 299 W HN -0.182 nan 8.180 nan 0.000 0.515 300 I N -0.230 120.485 120.570 0.242 0.000 2.179 300 I HA -0.282 3.888 4.170 0.000 0.000 0.242 300 I C 2.348 178.353 176.117 -0.187 0.000 1.088 300 I CA 1.573 62.844 61.300 -0.047 0.000 1.357 300 I CB -0.507 37.325 38.000 -0.280 0.000 1.051 300 I HN -0.084 nan 8.210 nan 0.000 0.409 301 E N 0.373 120.409 120.200 -0.273 0.000 2.047 301 E HA -0.266 4.084 4.350 0.000 0.000 0.191 301 E C 2.110 178.543 176.600 -0.279 0.000 0.987 301 E CA 1.411 57.481 56.400 -0.549 0.000 0.799 301 E CB -0.329 28.513 29.700 -1.430 0.000 0.752 301 E HN 0.465 nan 8.360 nan 0.000 0.449 302 Y N -0.016 120.126 120.300 -0.262 0.000 2.200 302 Y HA 0.032 4.582 4.550 0.000 0.000 0.290 302 Y C 1.747 177.654 175.900 0.010 0.000 1.137 302 Y CA 1.669 59.744 58.100 -0.042 0.000 1.163 302 Y CB -0.423 37.730 38.460 -0.512 0.000 0.988 302 Y HN 0.083 nan 8.280 nan 0.000 0.518 303 A N -0.747 122.042 122.820 -0.053 0.000 2.308 303 A HA 0.412 4.732 4.320 0.000 0.000 0.217 303 A C 1.598 179.092 177.584 -0.149 0.000 1.216 303 A CA 0.442 52.404 52.037 -0.124 0.000 0.864 303 A CB -1.071 18.041 19.000 0.187 0.000 0.902 303 A HN 0.846 nan 8.150 nan 0.000 0.499 304 G N 0.217 108.941 108.800 -0.126 0.000 2.295 304 G HA2 -0.224 3.736 3.960 0.000 0.000 0.287 304 G HA3 -0.224 3.736 3.960 0.000 0.000 0.287 304 G C 0.033 174.850 174.900 -0.137 0.000 1.055 304 G CA 0.419 45.434 45.100 -0.141 0.000 0.922 304 G HN 0.488 nan 8.290 nan 0.000 0.503 305 L N -0.008 121.141 121.223 -0.123 0.000 2.452 305 L HA 0.370 4.710 4.340 0.000 0.000 0.267 305 L C 1.920 178.728 176.870 -0.102 0.000 1.188 305 L CA 0.277 55.066 54.840 -0.085 0.000 0.821 305 L CB 1.070 43.119 42.059 -0.017 0.000 1.102 305 L HN 0.415 nan 8.230 nan 0.000 0.470 306 S N -0.516 115.170 115.700 -0.023 0.000 2.575 306 S HA 0.404 4.874 4.470 0.000 0.000 0.215 306 S C 0.531 175.183 174.600 0.086 0.000 0.966 306 S CA 0.121 58.334 58.200 0.022 0.000 0.911 306 S CB 0.179 63.437 63.200 0.096 0.000 0.780 306 S HN 1.012 nan 8.310 nan 0.000 0.514 307 G N 0.028 108.888 108.800 0.099 0.000 2.341 307 G HA2 0.396 4.356 3.960 0.000 0.000 0.293 307 G HA3 0.396 4.356 3.960 0.000 0.000 0.293 307 G C -2.132 172.888 174.900 0.200 0.000 1.298 307 G CA -0.980 44.228 45.100 0.181 0.000 0.868 307 G HN 0.307 nan 8.290 nan 0.000 0.540 308 L N -0.198 121.162 121.223 0.228 0.000 2.350 308 L HA 0.766 5.106 4.340 0.000 0.000 0.260 308 L C -0.110 176.789 176.870 0.048 0.000 1.015 308 L CA -1.144 53.767 54.840 0.118 0.000 0.821 308 L CB 2.443 44.588 42.059 0.143 0.000 1.370 308 L HN 0.594 nan 8.230 nan 0.000 0.416 309 R N 2.417 122.831 120.500 -0.144 0.000 2.437 309 R HA 0.582 4.922 4.340 0.000 0.000 0.310 309 R C -1.533 174.705 176.300 -0.102 0.000 0.955 309 R CA -0.476 55.438 56.100 -0.310 0.000 0.851 309 R CB 1.233 30.955 30.300 -0.964 0.000 1.161 309 R HN 0.611 nan 8.270 nan 0.000 0.446 310 I N 3.766 124.334 120.570 -0.004 0.000 2.328 310 I HA 0.133 4.303 4.170 0.000 0.000 0.287 310 I C 0.228 176.426 176.117 0.135 0.000 1.012 310 I CA -0.789 60.581 61.300 0.117 0.000 1.195 310 I CB 1.499 39.654 38.000 0.259 0.000 1.350 310 I HN 0.530 nan 8.210 nan 0.000 0.464 311 D N 4.399 124.867 120.400 0.114 0.000 2.368 311 D HA 0.039 4.679 4.640 0.000 0.000 0.240 311 D C 0.590 176.934 176.300 0.073 0.000 1.169 311 D CA 0.648 54.706 54.000 0.097 0.000 0.906 311 D CB 0.740 41.604 40.800 0.107 0.000 1.187 311 D HN 0.773 nan 8.370 nan 0.000 0.435 312 T N 0.365 114.956 114.554 0.062 0.000 3.549 312 T HA -0.336 4.014 4.350 0.000 0.000 0.398 312 T C 0.809 175.660 174.700 0.251 0.000 0.766 312 T CA 1.225 63.403 62.100 0.130 0.000 2.007 312 T CB -2.256 66.501 68.868 -0.185 0.000 1.727 312 T HN 0.532 nan 8.240 nan 0.000 0.693 313 Y N 1.755 122.106 120.300 0.086 0.000 2.114 313 Y HA 0.111 4.661 4.550 -0.000 0.000 0.284 313 Y C 2.401 178.166 175.900 -0.226 0.000 1.143 313 Y CA 2.198 60.221 58.100 -0.129 0.000 1.135 313 Y CB -0.788 37.494 38.460 -0.295 0.000 0.980 313 Y HN 0.542 nan 8.280 nan 0.000 0.499 314 G N -2.315 106.382 108.800 -0.171 0.000 2.848 314 G HA2 -0.205 3.755 3.960 0.000 0.000 0.208 314 G HA3 -0.205 3.755 3.960 0.000 0.000 0.208 314 G C 0.921 175.818 174.900 -0.004 0.000 1.152 314 G CA 0.212 45.222 45.100 -0.149 0.000 0.789 314 G HN 0.529 nan 8.290 nan 0.000 0.531 315 Y N 1.139 121.318 120.300 -0.202 0.000 2.583 315 Y HA 0.170 4.720 4.550 -0.000 0.000 0.293 315 Y C 1.657 177.424 175.900 -0.222 0.000 1.157 315 Y CA -0.071 57.782 58.100 -0.412 0.000 1.315 315 Y CB 0.260 38.533 38.460 -0.310 0.000 1.021 315 Y HN 0.026 nan 8.280 nan 0.000 0.536 316 S N 0.047 115.708 115.700 -0.066 0.000 2.610 316 S HA 0.036 4.506 4.470 0.000 0.000 0.273 316 S C -0.456 174.165 174.600 0.035 0.000 1.274 316 S CA -0.957 57.207 58.200 -0.060 0.000 1.023 316 S CB 0.621 63.786 63.200 -0.057 0.000 0.962 316 S HN 0.249 nan 8.310 nan 0.000 0.523 317 D N 0.965 121.397 120.400 0.053 0.000 2.533 317 D HA 0.162 4.802 4.640 0.000 0.000 0.236 317 D C 1.411 177.857 176.300 0.244 0.000 1.137 317 D CA 0.620 54.697 54.000 0.128 0.000 0.867 317 D CB 0.427 41.279 40.800 0.086 0.000 1.170 317 D HN 0.511 nan 8.370 nan 0.000 0.474 318 G N 3.193 112.143 108.800 0.251 0.000 2.446 318 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 318 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 318 G C 1.468 176.635 174.900 0.445 0.000 1.168 318 G CA 0.834 46.160 45.100 0.377 0.000 0.771 318 G HN 0.650 nan 8.290 nan 0.000 0.551 319 A N 0.387 123.389 122.820 0.304 0.000 1.933 319 A HA 0.065 4.385 4.320 0.000 0.000 0.218 319 A C 2.166 179.863 177.584 0.187 0.000 1.175 319 A CA 1.646 53.813 52.037 0.217 0.000 0.628 319 A CB -0.553 18.535 19.000 0.147 0.000 0.814 319 A HN 0.490 nan 8.150 nan 0.000 0.444 320 F N 0.730 120.730 119.950 0.083 0.000 2.095 320 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 320 F C 1.817 177.683 175.800 0.110 0.000 1.104 320 F CA 1.838 59.871 58.000 0.055 0.000 1.232 320 F CB -0.400 38.590 39.000 -0.016 0.000 0.987 320 F HN 0.144 nan 8.300 nan 0.000 0.475 321 L N -0.213 120.977 121.223 -0.055 0.000 2.046 321 L HA -0.244 4.096 4.340 0.000 0.000 0.208 321 L C 2.405 179.314 176.870 0.066 0.000 1.077 321 L CA 1.843 56.622 54.840 -0.101 0.000 0.747 321 L CB -1.230 40.898 42.059 0.116 0.000 0.896 321 L HN 0.190 nan 8.230 nan 0.000 0.432 322 T N -0.974 113.656 114.554 0.127 0.000 2.684 322 T HA -0.279 4.071 4.350 0.000 0.000 0.267 322 T C 1.783 176.481 174.700 -0.004 0.000 1.036 322 T CA 1.815 63.940 62.100 0.042 0.000 1.148 322 T CB -0.174 68.663 68.868 -0.052 0.000 0.863 322 T HN 0.418 nan 8.240 nan 0.000 0.436 323 E N -0.331 119.835 120.200 -0.056 0.000 2.072 323 E HA -0.154 4.196 4.350 0.000 0.000 0.191 323 E C 2.095 178.610 176.600 -0.142 0.000 0.985 323 E CA 0.830 57.176 56.400 -0.090 0.000 0.801 323 E CB -0.225 29.442 29.700 -0.055 0.000 0.750 323 E HN 0.656 nan 8.360 nan 0.000 0.452 324 Y N 1.778 121.822 120.300 -0.426 0.000 2.145 324 Y HA -0.236 4.314 4.550 0.000 0.000 0.286 324 Y C 2.544 178.331 175.900 -0.187 0.000 1.145 324 Y CA 2.712 60.560 58.100 -0.421 0.000 1.148 324 Y CB -0.692 37.257 38.460 -0.852 0.000 0.981 324 Y HN 0.168 nan 8.280 nan 0.000 0.507 325 T N -1.295 113.300 114.554 0.069 0.000 2.821 325 T HA -0.180 4.170 4.350 0.000 0.000 0.267 325 T C 2.063 176.699 174.700 -0.105 0.000 1.046 325 T CA 1.351 63.496 62.100 0.076 0.000 1.139 325 T CB -0.533 68.505 68.868 0.283 0.000 0.871 325 T HN 0.416 nan 8.240 nan 0.000 0.454 326 R N 0.791 121.168 120.500 -0.205 0.000 2.073 326 R HA -0.030 4.310 4.340 0.000 0.000 0.234 326 R C 2.799 178.889 176.300 -0.349 0.000 1.134 326 R CA 0.892 56.688 56.100 -0.507 0.000 0.952 326 R CB -0.101 29.974 30.300 -0.375 0.000 0.850 326 R HN 0.239 nan 8.270 nan 0.000 0.433 327 R N 0.362 120.702 120.500 -0.267 0.000 2.073 327 R HA -0.116 4.224 4.340 0.000 0.000 0.234 327 R C 2.331 178.494 176.300 -0.228 0.000 1.134 327 R CA 1.024 56.981 56.100 -0.238 0.000 0.952 327 R CB -0.717 29.437 30.300 -0.243 0.000 0.850 327 R HN 0.215 nan 8.270 nan 0.000 0.433 328 L N 0.340 121.393 121.223 -0.283 0.000 2.017 328 L HA -0.129 4.211 4.340 0.000 0.000 0.208 328 L C 2.418 179.246 176.870 -0.070 0.000 1.073 328 L CA 1.525 56.257 54.840 -0.180 0.000 0.745 328 L CB -0.415 41.471 42.059 -0.289 0.000 0.894 328 L HN 0.090 nan 8.230 nan 0.000 0.432 329 M N -1.453 118.087 119.600 -0.099 0.000 2.394 329 M HA 0.002 4.482 4.480 0.000 0.000 0.264 329 M C 2.370 178.619 176.300 -0.085 0.000 1.073 329 M CA 1.299 56.574 55.300 -0.042 0.000 1.111 329 M CB -1.485 31.121 32.600 0.010 0.000 1.401 329 M HN 0.282 nan 8.290 nan 0.000 0.448 330 A N 0.220 122.948 122.820 -0.155 0.000 1.930 330 A HA -0.119 4.201 4.320 0.000 0.000 0.217 330 A C 2.126 179.603 177.584 -0.178 0.000 1.175 330 A CA 1.252 53.205 52.037 -0.140 0.000 0.627 330 A CB -0.315 18.607 19.000 -0.131 0.000 0.815 330 A HN 0.375 nan 8.150 nan 0.000 0.443 331 E N -0.940 119.084 120.200 -0.293 0.000 2.047 331 E HA -0.104 4.246 4.350 0.000 0.000 0.191 331 E C -0.339 175.862 176.600 -0.666 0.000 0.987 331 E CA 0.989 57.023 56.400 -0.610 0.000 0.799 331 E CB -0.207 28.881 29.700 -1.020 0.000 0.752 331 E HN 0.732 nan 8.360 nan 0.000 0.449 332 Y N 0.354 120.609 120.300 -0.075 0.000 2.748 332 Y HA 0.231 4.781 4.550 0.000 0.000 0.359 332 Y C -1.718 174.142 175.900 -0.066 0.000 1.030 332 Y CA -2.433 55.622 58.100 -0.076 0.000 1.169 332 Y CB 1.178 39.587 38.460 -0.086 0.000 1.127 332 Y HN -0.019 nan 8.280 nan 0.000 0.644 333 P HA -0.147 nan 4.420 nan 0.000 0.221 333 P C 0.710 178.017 177.300 0.012 0.000 1.145 333 P CA 1.367 64.478 63.100 0.019 0.000 0.795 333 P CB 0.413 32.114 31.700 0.002 0.000 0.775 334 R N -1.318 119.188 120.500 0.010 0.000 2.359 334 R HA 0.200 4.540 4.340 0.000 0.000 0.231 334 R C 0.809 177.068 176.300 -0.068 0.000 0.913 334 R CA -0.628 55.454 56.100 -0.029 0.000 1.075 334 R CB -0.274 30.010 30.300 -0.027 0.000 1.087 334 R HN 0.167 nan 8.270 nan 0.000 0.515 335 L N 0.986 122.182 121.223 -0.044 0.000 2.476 335 L HA 0.098 4.438 4.340 0.000 0.000 0.264 335 L C 0.002 176.735 176.870 -0.229 0.000 1.224 335 L CA 0.380 55.152 54.840 -0.114 0.000 0.821 335 L CB 0.493 42.525 42.059 -0.044 0.000 1.101 335 L HN -0.053 nan 8.230 nan 0.000 0.488 336 N N 2.586 121.030 118.700 -0.427 0.000 2.269 336 N HA 0.590 5.330 4.740 0.000 0.000 0.304 336 N C -1.601 173.659 175.510 -0.416 0.000 1.072 336 N CA -0.418 52.235 53.050 -0.661 0.000 0.802 336 N CB 1.439 39.009 38.487 -1.527 0.000 1.348 336 N HN 0.518 nan 8.380 nan 0.000 0.484 337 M N 1.809 121.300 119.600 -0.182 0.000 2.326 337 M HA 0.310 4.790 4.480 0.000 0.000 0.292 337 M C -1.116 175.222 176.300 0.063 0.000 1.081 337 M CA -1.049 54.280 55.300 0.049 0.000 0.919 337 M CB 2.542 35.200 32.600 0.096 0.000 1.634 337 M HN 0.145 nan 8.290 nan 0.000 0.451 338 V N 2.792 122.780 119.914 0.123 0.000 2.378 338 V HA 0.803 4.923 4.120 0.000 0.000 0.288 338 V C -0.007 176.043 176.094 -0.073 0.000 1.016 338 V CA -0.083 62.234 62.300 0.028 0.000 0.840 338 V CB 1.444 33.300 31.823 0.055 0.000 0.994 338 V HN 0.952 nan 8.190 nan 0.000 0.431 339 G N 4.177 112.877 108.800 -0.167 0.000 2.444 339 G HA2 0.370 4.330 3.960 0.000 0.000 0.268 339 G HA3 0.370 4.330 3.960 0.000 0.000 0.268 339 G C -0.358 174.512 174.900 -0.050 0.000 1.203 339 G CA -0.364 44.590 45.100 -0.245 0.000 0.835 339 G HN 0.784 nan 8.290 nan 0.000 0.543 340 E N 1.050 121.318 120.200 0.114 0.000 1.986 340 E HA 0.157 4.507 4.350 0.000 0.000 0.264 340 E C -0.802 176.018 176.600 0.368 0.000 1.023 340 E CA -0.411 56.167 56.400 0.297 0.000 0.834 340 E CB 0.759 30.635 29.700 0.293 0.000 1.111 340 E HN 0.396 nan 8.360 nan 0.000 0.417 341 E N 5.589 126.028 120.200 0.399 0.000 2.063 341 E HA 0.024 4.374 4.350 0.000 0.000 0.265 341 E C -1.131 175.723 176.600 0.422 0.000 0.919 341 E CA -0.587 56.045 56.400 0.386 0.000 0.756 341 E CB 0.275 30.177 29.700 0.337 0.000 1.120 341 E HN 0.480 nan 8.360 nan 0.000 0.414 342 W N 6.025 127.369 121.300 0.073 0.000 2.110 342 W HA 0.330 4.990 4.660 -0.000 0.000 0.450 342 W C -0.839 175.586 176.519 -0.157 0.000 0.893 342 W CA -0.020 57.117 57.345 -0.347 0.000 1.688 342 W CB 0.035 29.343 29.460 -0.254 0.000 1.779 342 W HN 0.469 nan 8.180 nan 0.000 0.300 343 S N 2.871 118.471 115.700 -0.166 0.000 2.536 343 S HA 0.205 4.675 4.470 0.000 0.000 0.271 343 S C 0.231 174.804 174.600 -0.045 0.000 1.134 343 S CA -0.391 57.775 58.200 -0.056 0.000 0.897 343 S CB 2.063 65.324 63.200 0.102 0.000 1.094 343 S HN 0.216 nan 8.310 nan 0.000 0.473 344 T N 2.695 117.209 114.554 -0.067 0.000 3.129 344 T HA 0.249 4.599 4.350 0.000 0.000 0.251 344 T C 0.343 175.056 174.700 0.021 0.000 1.117 344 T CA 0.303 62.395 62.100 -0.014 0.000 1.034 344 T CB -0.243 68.591 68.868 -0.056 0.000 0.968 344 T HN 0.484 nan 8.240 nan 0.000 0.526 345 R N 0.877 121.394 120.500 0.029 0.000 2.202 345 R HA 0.331 4.671 4.340 0.000 0.000 0.334 345 R C 1.251 177.564 176.300 0.021 0.000 1.036 345 R CA -0.391 55.717 56.100 0.014 0.000 0.878 345 R CB 1.348 31.649 30.300 0.002 0.000 1.067 345 R HN 0.071 nan 8.270 nan 0.000 0.457 346 V N 5.612 125.518 119.914 -0.013 0.000 2.282 346 V HA -0.201 3.919 4.120 0.000 0.000 0.249 346 V C -0.968 175.021 176.094 -0.176 0.000 1.057 346 V CA 1.827 64.085 62.300 -0.070 0.000 1.032 346 V CB -0.895 30.847 31.823 -0.135 0.000 0.645 346 V HN 0.660 nan 8.190 nan 0.000 0.447 347 P HA -0.111 nan 4.420 nan 0.000 0.216 347 P C 1.903 179.140 177.300 -0.104 0.000 1.150 347 P CA 1.250 64.251 63.100 -0.165 0.000 0.837 347 P CB -0.067 31.560 31.700 -0.122 0.000 0.786 348 V N -0.703 119.193 119.914 -0.031 0.000 2.358 348 V HA -0.181 3.939 4.120 0.000 0.000 0.246 348 V C 2.399 178.588 176.094 0.157 0.000 1.047 348 V CA 1.706 64.028 62.300 0.038 0.000 1.035 348 V CB -1.080 30.788 31.823 0.075 0.000 0.658 348 V HN -0.025 nan 8.190 nan 0.000 0.452 349 V N 0.269 120.307 119.914 0.207 0.000 2.379 349 V HA -0.165 3.955 4.120 0.000 0.000 0.245 349 V C 2.698 179.003 176.094 0.353 0.000 1.044 349 V CA 1.761 64.291 62.300 0.383 0.000 1.036 349 V CB -1.089 30.976 31.823 0.404 0.000 0.664 349 V HN 0.536 nan 8.190 nan 0.000 0.453 350 A N 0.086 122.946 122.820 0.066 0.000 2.024 350 A HA -0.247 4.073 4.320 0.000 0.000 0.220 350 A C 2.386 179.974 177.584 0.007 0.000 1.164 350 A CA 1.715 53.697 52.037 -0.092 0.000 0.643 350 A CB -0.635 18.003 19.000 -0.605 0.000 0.806 350 A HN 0.388 nan 8.150 nan 0.000 0.451 351 R N -0.960 119.485 120.500 -0.092 0.000 2.139 351 R HA -0.205 4.135 4.340 0.000 0.000 0.243 351 R C 1.468 177.680 176.300 -0.148 0.000 1.145 351 R CA 1.891 57.853 56.100 -0.229 0.000 0.976 351 R CB -0.390 29.598 30.300 -0.521 0.000 0.866 351 R HN 0.770 nan 8.270 nan 0.000 0.449 352 W N 0.730 122.128 121.300 0.162 0.000 3.003 352 W HA 0.156 4.816 4.660 -0.000 0.000 0.257 352 W C 0.971 177.581 176.519 0.152 0.000 1.308 352 W CA -0.495 56.979 57.345 0.216 0.000 1.529 352 W CB 0.181 29.728 29.460 0.144 0.000 1.115 352 W HN 0.097 nan 8.180 nan 0.000 0.659 353 Q N 2.504 122.482 119.800 0.296 0.000 2.314 353 Q HA 0.102 4.442 4.340 0.000 0.000 0.258 353 Q C 0.815 176.888 176.000 0.123 0.000 0.954 353 Q CA -0.651 55.270 55.803 0.196 0.000 0.890 353 Q CB 0.681 29.540 28.738 0.201 0.000 1.210 353 Q HN 0.127 nan 8.270 nan 0.000 0.410 354 R N 2.111 122.652 120.500 0.068 0.000 2.583 354 R HA 0.125 4.465 4.340 0.000 0.000 0.274 354 R C 0.614 176.896 176.300 -0.031 0.000 0.998 354 R CA 0.688 56.773 56.100 -0.025 0.000 1.081 354 R CB -0.111 30.149 30.300 -0.066 0.000 0.940 354 R HN 0.892 nan 8.270 nan 0.000 0.413 355 G N 1.354 110.109 108.800 -0.075 0.000 2.195 355 G HA2 -0.330 3.630 3.960 0.000 0.000 0.246 355 G HA3 -0.330 3.630 3.960 0.000 0.000 0.246 355 G C 0.020 174.907 174.900 -0.021 0.000 0.984 355 G CA 0.405 45.474 45.100 -0.053 0.000 0.633 355 G HN 0.722 nan 8.290 nan 0.000 0.525 356 K N 1.522 121.921 120.400 -0.002 0.000 2.368 356 K HA 0.638 4.958 4.320 0.000 0.000 0.282 356 K C 0.564 177.158 176.600 -0.009 0.000 1.035 356 K CA 0.573 56.864 56.287 0.007 0.000 0.973 356 K CB 0.696 33.211 32.500 0.024 0.000 0.957 356 K HN 0.855 nan 8.250 nan 0.000 0.474 357 A N 5.166 127.984 122.820 -0.004 0.000 2.415 357 A HA 0.262 4.582 4.320 0.000 0.000 0.309 357 A C -0.689 176.896 177.584 0.002 0.000 1.356 357 A CA -0.550 51.483 52.037 -0.007 0.000 0.998 357 A CB -0.558 18.443 19.000 0.002 0.000 1.145 357 A HN 0.935 nan 8.150 nan 0.000 0.545 358 N N 0.998 119.687 118.700 -0.019 0.000 2.498 358 N HA 0.402 5.142 4.740 0.000 0.000 0.287 358 N C 0.853 176.328 175.510 -0.058 0.000 1.097 358 N CA -0.528 52.505 53.050 -0.028 0.000 0.973 358 N CB 0.763 39.208 38.487 -0.070 0.000 1.153 358 N HN 0.676 nan 8.380 nan 0.000 0.472 359 F N 1.140 121.057 119.950 -0.055 0.000 2.202 359 F HA -0.137 4.390 4.527 0.000 0.000 0.301 359 F C 1.337 177.109 175.800 -0.046 0.000 1.082 359 F CA 0.938 58.904 58.000 -0.057 0.000 1.313 359 F CB -0.242 38.709 39.000 -0.083 0.000 1.024 359 F HN 0.426 nan 8.300 nan 0.000 0.495 360 D N -0.888 118.818 120.400 -1.157 0.000 2.340 360 D HA 0.186 4.826 4.640 0.000 0.000 0.217 360 D C 1.815 177.905 176.300 -0.349 0.000 1.081 360 D CA 0.333 53.827 54.000 -0.844 0.000 0.842 360 D CB -0.327 39.808 40.800 -1.108 0.000 0.934 360 D HN 0.512 nan 8.370 nan 0.000 0.511 361 G N 0.358 109.012 108.800 -0.243 0.000 2.166 361 G HA2 -0.368 3.592 3.960 0.000 0.000 0.260 361 G HA3 -0.368 3.592 3.960 0.000 0.000 0.260 361 G C -0.077 174.766 174.900 -0.096 0.000 0.986 361 G CA 0.252 45.276 45.100 -0.127 0.000 0.683 361 G HN 0.527 nan 8.290 nan 0.000 0.527 362 Y N 2.659 122.830 120.300 -0.215 0.000 2.632 362 Y HA 0.414 4.964 4.550 0.000 0.000 0.329 362 Y C 1.108 176.956 175.900 -0.087 0.000 1.174 362 Y CA 0.623 58.632 58.100 -0.152 0.000 1.469 362 Y CB 0.547 38.877 38.460 -0.216 0.000 1.242 362 Y HN 0.442 nan 8.280 nan 0.000 0.540 363 T N 2.401 116.529 114.554 -0.710 0.000 2.885 363 T HA 0.680 5.030 4.350 0.000 0.000 0.285 363 T C -0.596 173.774 174.700 -0.550 0.000 1.019 363 T CA -0.860 60.968 62.100 -0.453 0.000 1.010 363 T CB 1.670 70.397 68.868 -0.236 0.000 1.022 363 T HN 0.616 nan 8.240 nan 0.000 0.466 364 S N -0.114 115.467 115.700 -0.197 0.000 2.556 364 S HA 0.464 4.934 4.470 0.000 0.000 0.271 364 S C -0.966 173.645 174.600 0.018 0.000 1.135 364 S CA -0.650 57.574 58.200 0.039 0.000 0.858 364 S CB 1.300 64.676 63.200 0.294 0.000 1.114 364 S HN 0.871 nan 8.310 nan 0.000 0.468 365 H N 1.643 120.758 119.070 0.076 0.000 2.542 365 H HA 0.389 4.945 4.556 0.000 0.000 0.283 365 H C -0.069 175.304 175.328 0.076 0.000 1.059 365 H CA -0.225 55.854 56.048 0.052 0.000 1.162 365 H CB 0.400 30.172 29.762 0.018 0.000 1.539 365 H HN 0.330 nan 8.280 nan 0.000 0.543 366 L N 2.647 123.997 121.223 0.212 0.000 2.562 366 L HA 0.135 4.475 4.340 0.000 0.000 0.271 366 L C -1.773 175.136 176.870 0.064 0.000 1.167 366 L CA -1.201 53.726 54.840 0.144 0.000 0.917 366 L CB 0.984 43.110 42.059 0.111 0.000 1.187 366 L HN -0.014 nan 8.230 nan 0.000 0.482 367 P HA -0.007 nan 4.420 nan 0.000 0.222 367 P C -0.315 176.965 177.300 -0.033 0.000 1.153 367 P CA 0.562 63.647 63.100 -0.026 0.000 0.798 367 P CB 0.374 32.021 31.700 -0.087 0.000 0.796 368 S N -1.709 113.972 115.700 -0.032 0.000 2.579 368 S HA 0.685 5.155 4.470 0.000 0.000 0.272 368 S C -1.773 172.807 174.600 -0.033 0.000 1.141 368 S CA -0.621 57.564 58.200 -0.026 0.000 0.843 368 S CB 0.365 63.568 63.200 0.005 0.000 1.122 368 S HN -0.211 nan 8.310 nan 0.000 0.468 369 L N 2.416 123.626 121.223 -0.021 0.000 2.359 369 L HA 0.639 4.979 4.340 0.000 0.000 0.256 369 L C -0.525 176.340 176.870 -0.008 0.000 1.026 369 L CA -0.772 54.067 54.840 -0.002 0.000 0.828 369 L CB 1.749 43.868 42.059 0.100 0.000 1.406 369 L HN 0.560 nan 8.230 nan 0.000 0.413 370 M N 1.256 120.853 119.600 -0.005 0.000 2.219 370 M HA 0.086 4.566 4.480 0.000 0.000 0.353 370 M C -0.103 176.158 176.300 -0.065 0.000 1.304 370 M CA -0.038 55.203 55.300 -0.098 0.000 1.115 370 M CB 0.146 32.506 32.600 -0.401 0.000 1.664 370 M HN 0.425 nan 8.290 nan 0.000 0.459 371 D N 3.193 123.578 120.400 -0.025 0.000 2.713 371 D HA 0.103 4.743 4.640 0.000 0.000 0.229 371 D C 0.753 176.987 176.300 -0.111 0.000 1.136 371 D CA -0.099 53.867 54.000 -0.057 0.000 1.010 371 D CB -0.307 40.421 40.800 -0.121 0.000 1.084 371 D HN 0.335 nan 8.370 nan 0.000 0.495 372 F N 0.869 120.902 119.950 0.139 0.000 2.161 372 F HA -0.064 4.463 4.527 -0.000 0.000 0.300 372 F C -0.509 175.250 175.800 -0.068 0.000 1.089 372 F CA 0.719 58.728 58.000 0.016 0.000 1.282 372 F CB -1.471 37.480 39.000 -0.083 0.000 1.010 372 F HN 0.325 nan 8.300 nan 0.000 0.485 373 P HA -0.183 nan 4.420 nan 0.000 0.215 373 P C 1.929 179.251 177.300 0.037 0.000 1.153 373 P CA 1.196 64.347 63.100 0.084 0.000 0.853 373 P CB 0.011 31.778 31.700 0.111 0.000 0.788 374 L N -1.028 120.214 121.223 0.030 0.000 2.131 374 L HA -0.060 4.280 4.340 0.000 0.000 0.206 374 L C 2.137 179.012 176.870 0.009 0.000 1.087 374 L CA 1.501 56.372 54.840 0.052 0.000 0.767 374 L CB -1.028 41.088 42.059 0.095 0.000 0.917 374 L HN -0.208 nan 8.230 nan 0.000 0.441 375 V N -0.225 119.610 119.914 -0.132 0.000 2.295 375 V HA -0.289 3.831 4.120 0.000 0.000 0.246 375 V C 2.241 178.272 176.094 -0.105 0.000 1.049 375 V CA 1.951 64.118 62.300 -0.221 0.000 1.024 375 V CB -0.731 30.717 31.823 -0.625 0.000 0.648 375 V HN 0.416 nan 8.190 nan 0.000 0.447 376 D N 0.407 120.769 120.400 -0.064 0.000 2.123 376 D HA -0.145 4.495 4.640 0.000 0.000 0.196 376 D C 2.237 178.505 176.300 -0.053 0.000 0.992 376 D CA 1.720 55.695 54.000 -0.041 0.000 0.833 376 D CB -0.375 40.406 40.800 -0.032 0.000 0.954 376 D HN 0.441 nan 8.370 nan 0.000 0.455 377 A N 0.741 123.528 122.820 -0.056 0.000 1.877 377 A HA -0.197 4.123 4.320 0.000 0.000 0.216 377 A C 2.160 179.665 177.584 -0.132 0.000 1.186 377 A CA 2.017 54.007 52.037 -0.080 0.000 0.620 377 A CB -0.545 18.414 19.000 -0.068 0.000 0.822 377 A HN 0.179 nan 8.150 nan 0.000 0.443 378 M N -0.104 119.395 119.600 -0.168 0.000 2.132 378 M HA -0.060 4.420 4.480 0.000 0.000 0.263 378 M C 2.025 178.235 176.300 -0.150 0.000 1.065 378 M CA 1.483 56.626 55.300 -0.262 0.000 1.122 378 M CB -0.568 31.782 32.600 -0.418 0.000 1.365 378 M HN 0.390 nan 8.290 nan 0.000 0.411 379 R N -0.235 120.211 120.500 -0.089 0.000 2.091 379 R HA -0.157 4.183 4.340 0.000 0.000 0.238 379 R C 1.934 178.209 176.300 -0.042 0.000 1.136 379 R CA 1.606 57.680 56.100 -0.043 0.000 0.959 379 R CB -0.782 29.508 30.300 -0.017 0.000 0.856 379 R HN 0.474 nan 8.270 nan 0.000 0.437 380 N N 0.783 119.451 118.700 -0.053 0.000 2.084 380 N HA -0.137 4.603 4.740 0.000 0.000 0.190 380 N C 1.712 177.188 175.510 -0.057 0.000 1.030 380 N CA 1.607 54.629 53.050 -0.047 0.000 0.849 380 N CB -0.430 38.028 38.487 -0.049 0.000 1.012 380 N HN 0.220 nan 8.380 nan 0.000 0.423 381 A N 0.924 123.691 122.820 -0.088 0.000 1.933 381 A HA -0.047 4.273 4.320 0.000 0.000 0.218 381 A C 2.264 179.811 177.584 -0.063 0.000 1.175 381 A CA 1.019 52.999 52.037 -0.094 0.000 0.628 381 A CB -0.594 18.314 19.000 -0.153 0.000 0.814 381 A HN 0.247 nan 8.150 nan 0.000 0.444 382 L N -0.085 121.104 121.223 -0.056 0.000 2.446 382 L HA -0.031 4.309 4.340 0.000 0.000 0.219 382 L C 2.635 179.500 176.870 -0.008 0.000 1.116 382 L CA 1.092 55.917 54.840 -0.024 0.000 0.844 382 L CB -0.092 41.959 42.059 -0.013 0.000 0.970 382 L HN 0.590 nan 8.230 nan 0.000 0.457 383 S N -1.118 114.574 115.700 -0.014 0.000 2.468 383 S HA 0.013 4.483 4.470 0.000 0.000 0.226 383 S C 1.165 175.760 174.600 -0.009 0.000 1.051 383 S CA -0.183 58.013 58.200 -0.008 0.000 0.943 383 S CB -0.095 63.102 63.200 -0.006 0.000 0.810 383 S HN 0.204 nan 8.310 nan 0.000 0.509 384 K N 3.313 123.705 120.400 -0.014 0.000 2.480 384 K HA 0.157 4.477 4.320 0.000 0.000 0.241 384 K C 0.933 177.527 176.600 -0.011 0.000 1.261 384 K CA 0.380 56.659 56.287 -0.012 0.000 1.193 384 K CB -0.115 32.375 32.500 -0.017 0.000 1.598 384 K HN 0.597 nan 8.250 nan 0.000 0.278 385 T N -3.044 111.507 114.554 -0.005 0.000 3.035 385 T HA -0.074 4.276 4.350 0.000 0.000 0.268 385 T C 1.878 176.578 174.700 0.000 0.000 1.109 385 T CA 0.901 63.001 62.100 -0.001 0.000 1.119 385 T CB 0.069 68.941 68.868 0.006 0.000 0.900 385 T HN 0.414 nan 8.240 nan 0.000 0.503 386 G N 0.894 109.693 108.800 -0.001 0.000 2.650 386 G HA2 0.041 4.001 3.960 0.000 0.000 0.214 386 G HA3 0.041 4.001 3.960 0.000 0.000 0.214 386 G C 0.560 175.458 174.900 -0.002 0.000 1.136 386 G CA -0.254 44.846 45.100 0.000 0.000 0.789 386 G HN 0.433 nan 8.290 nan 0.000 0.536 387 E N 0.336 120.532 120.200 -0.007 0.000 2.392 387 E HA 0.038 4.388 4.350 0.000 0.000 0.264 387 E C 0.881 177.475 176.600 -0.009 0.000 1.024 387 E CA -0.139 56.255 56.400 -0.010 0.000 0.903 387 E CB 1.502 31.191 29.700 -0.018 0.000 0.963 387 E HN 0.462 nan 8.360 nan 0.000 0.432 388 E N 2.345 122.541 120.200 -0.007 0.000 2.106 388 E HA -0.198 4.152 4.350 0.000 0.000 0.192 388 E C 0.460 177.054 176.600 -0.009 0.000 0.984 388 E CA 0.960 57.357 56.400 -0.004 0.000 0.806 388 E CB 0.260 29.959 29.700 -0.002 0.000 0.750 388 E HN 0.254 nan 8.360 nan 0.000 0.458 389 N N -1.088 117.600 118.700 -0.019 0.000 2.622 389 N HA 0.151 4.891 4.740 0.000 0.000 0.293 389 N C 0.317 175.793 175.510 -0.055 0.000 1.788 389 N CA 0.461 53.492 53.050 -0.033 0.000 0.860 389 N CB 0.662 39.132 38.487 -0.028 0.000 1.388 389 N HN 0.142 nan 8.380 nan 0.000 0.496 390 G N 0.094 108.861 108.800 -0.054 0.000 2.475 390 G HA2 -0.213 3.747 3.960 0.000 0.000 0.220 390 G HA3 -0.213 3.747 3.960 0.000 0.000 0.220 390 G C 1.298 176.125 174.900 -0.121 0.000 1.125 390 G CA 0.605 45.662 45.100 -0.072 0.000 0.755 390 G HN 0.442 nan 8.290 nan 0.000 0.565 391 L N 0.288 121.421 121.223 -0.149 0.000 2.261 391 L HA -0.102 4.238 4.340 0.000 0.000 0.216 391 L C 2.594 179.247 176.870 -0.360 0.000 1.114 391 L CA 0.754 55.427 54.840 -0.279 0.000 0.777 391 L CB -0.359 41.548 42.059 -0.254 0.000 0.910 391 L HN 0.228 nan 8.230 nan 0.000 0.440 392 N N 0.462 119.033 118.700 -0.215 0.000 2.192 392 N HA -0.280 4.460 4.740 0.000 0.000 0.188 392 N C 1.780 177.239 175.510 -0.085 0.000 1.013 392 N CA 1.399 54.379 53.050 -0.118 0.000 0.863 392 N CB 0.030 38.496 38.487 -0.035 0.000 0.990 392 N HN 0.338 nan 8.380 nan 0.000 0.430 393 E N -0.728 119.400 120.200 -0.120 0.000 2.153 393 E HA -0.125 4.225 4.350 0.000 0.000 0.194 393 E C 1.607 178.127 176.600 -0.132 0.000 0.988 393 E CA 0.919 57.257 56.400 -0.102 0.000 0.811 393 E CB 0.142 29.787 29.700 -0.092 0.000 0.746 393 E HN 0.201 nan 8.360 nan 0.000 0.466 394 V N 0.561 120.333 119.914 -0.236 0.000 2.323 394 V HA -0.243 3.877 4.120 0.000 0.000 0.244 394 V C 2.113 178.103 176.094 -0.173 0.000 1.041 394 V CA 1.968 64.114 62.300 -0.257 0.000 1.025 394 V CB -0.810 30.701 31.823 -0.519 0.000 0.656 394 V HN 0.424 nan 8.190 nan 0.000 0.451 395 Y N 1.561 121.563 120.300 -0.497 0.000 2.097 395 Y HA -0.256 4.294 4.550 0.000 0.000 0.282 395 Y C 2.508 178.369 175.900 -0.064 0.000 1.152 395 Y CA 2.182 60.084 58.100 -0.329 0.000 1.136 395 Y CB -0.397 37.742 38.460 -0.534 0.000 0.975 395 Y HN 0.346 nan 8.280 nan 0.000 0.498 396 E N -0.656 119.385 120.200 -0.266 0.000 2.077 396 E HA -0.167 4.183 4.350 0.000 0.000 0.193 396 E C 2.092 178.615 176.600 -0.128 0.000 0.989 396 E CA 1.758 57.986 56.400 -0.287 0.000 0.800 396 E CB -0.236 29.382 29.700 -0.135 0.000 0.746 396 E HN 0.509 nan 8.360 nan 0.000 0.452 397 T N 1.900 116.418 114.554 -0.059 0.000 2.708 397 T HA -0.134 4.216 4.350 0.000 0.000 0.266 397 T C 1.949 176.676 174.700 0.045 0.000 1.037 397 T CA 0.690 62.787 62.100 -0.005 0.000 1.146 397 T CB -0.227 68.649 68.868 0.013 0.000 0.865 397 T HN 0.108 nan 8.240 nan 0.000 0.435 398 L N 1.582 122.868 121.223 0.105 0.000 2.127 398 L HA -0.143 4.197 4.340 0.000 0.000 0.211 398 L C 2.779 179.731 176.870 0.138 0.000 1.089 398 L CA 1.526 56.470 54.840 0.173 0.000 0.757 398 L CB -0.531 41.735 42.059 0.346 0.000 0.899 398 L HN 0.424 nan 8.230 nan 0.000 0.434 399 S N -0.476 115.286 115.700 0.104 0.000 2.469 399 S HA -0.132 4.338 4.470 0.000 0.000 0.238 399 S C 1.588 176.267 174.600 0.130 0.000 0.998 399 S CA 0.674 58.929 58.200 0.091 0.000 0.957 399 S CB -0.445 62.712 63.200 -0.072 0.000 0.764 399 S HN 0.489 nan 8.310 nan 0.000 0.514 400 L N 0.980 122.210 121.223 0.011 0.000 2.612 400 L HA 0.208 4.548 4.340 0.000 0.000 0.230 400 L C 1.378 178.037 176.870 -0.351 0.000 1.140 400 L CA 0.039 54.739 54.840 -0.234 0.000 0.896 400 L CB -0.407 41.521 42.059 -0.219 0.000 1.065 400 L HN 0.132 nan 8.230 nan 0.000 0.447 401 D N 0.355 120.737 120.400 -0.031 0.000 2.265 401 D HA -0.222 4.418 4.640 0.000 0.000 0.208 401 D C 1.934 178.264 176.300 0.050 0.000 0.977 401 D CA 1.187 55.256 54.000 0.115 0.000 0.871 401 D CB -0.026 40.846 40.800 0.120 0.000 0.925 401 D HN 0.565 nan 8.370 nan 0.000 0.485 402 Y N -0.448 119.887 120.300 0.058 0.000 2.465 402 Y HA -0.044 4.506 4.550 -0.000 0.000 0.289 402 Y C 1.806 177.702 175.900 -0.006 0.000 1.150 402 Y CA 0.533 58.649 58.100 0.027 0.000 1.293 402 Y CB -0.880 37.583 38.460 0.004 0.000 0.977 402 Y HN -0.048 nan 8.280 nan 0.000 0.556 403 L N -0.821 119.993 121.223 -0.681 0.000 2.275 403 L HA -0.097 4.243 4.340 0.000 0.000 0.215 403 L C 0.020 176.682 176.870 -0.346 0.000 1.119 403 L CA 0.490 55.018 54.840 -0.520 0.000 0.790 403 L CB -0.429 41.202 42.059 -0.712 0.000 0.919 403 L HN 0.196 nan 8.230 nan 0.000 0.443 404 Y N -0.710 119.531 120.300 -0.098 0.000 2.320 404 Y HA 0.215 4.765 4.550 -0.000 0.000 0.334 404 Y C -1.364 174.528 175.900 -0.014 0.000 1.055 404 Y CA -2.485 55.592 58.100 -0.038 0.000 1.143 404 Y CB 0.351 38.790 38.460 -0.034 0.000 1.193 404 Y HN -0.189 nan 8.280 nan 0.000 0.477 405 P HA -0.146 nan 4.420 nan 0.000 0.216 405 P C -0.536 176.810 177.300 0.077 0.000 1.150 405 P CA 1.589 64.743 63.100 0.090 0.000 0.837 405 P CB 0.378 32.114 31.700 0.060 0.000 0.786 406 E N -1.817 118.433 120.200 0.082 0.000 3.352 406 E HA 0.110 4.460 4.350 0.000 0.000 0.254 406 E C -1.974 174.606 176.600 -0.033 0.000 1.229 406 E CA -1.370 55.041 56.400 0.018 0.000 0.949 406 E CB 0.980 30.675 29.700 -0.008 0.000 1.373 406 E HN 0.208 nan 8.360 nan 0.000 0.392 407 P HA -0.263 nan 4.420 nan 0.000 0.218 407 P C 1.444 178.643 177.300 -0.169 0.000 1.149 407 P CA 1.182 64.173 63.100 -0.181 0.000 0.817 407 P CB 0.271 31.941 31.700 -0.050 0.000 0.785 408 Q N 0.002 119.745 119.800 -0.096 0.000 2.364 408 Q HA -0.154 4.186 4.340 0.000 0.000 0.209 408 Q C 1.187 177.139 176.000 -0.080 0.000 0.977 408 Q CA 1.515 57.268 55.803 -0.084 0.000 0.885 408 Q CB -1.396 27.305 28.738 -0.061 0.000 0.941 408 Q HN 0.210 nan 8.270 nan 0.000 0.464 409 N N -0.131 118.516 118.700 -0.088 0.000 2.280 409 N HA 0.202 4.942 4.740 0.000 0.000 0.192 409 N C -0.118 175.351 175.510 -0.067 0.000 1.109 409 N CA -0.082 52.925 53.050 -0.071 0.000 0.855 409 N CB 0.268 38.710 38.487 -0.074 0.000 0.974 409 N HN 0.155 nan 8.380 nan 0.000 0.482 410 L N 0.475 121.620 121.223 -0.130 0.000 2.452 410 L HA 0.215 4.555 4.340 0.000 0.000 0.267 410 L C 0.019 176.856 176.870 -0.056 0.000 1.188 410 L CA -0.574 54.181 54.840 -0.142 0.000 0.821 410 L CB 0.998 42.867 42.059 -0.317 0.000 1.102 410 L HN -0.212 nan 8.230 nan 0.000 0.470 411 V N 3.672 123.582 119.914 -0.007 0.000 2.383 411 V HA 0.238 4.358 4.120 0.000 0.000 0.275 411 V C -0.011 176.134 176.094 0.085 0.000 1.036 411 V CA -0.381 61.955 62.300 0.061 0.000 0.889 411 V CB 1.423 33.286 31.823 0.068 0.000 0.985 411 V HN 0.368 nan 8.190 nan 0.000 0.459 412 L N 7.449 128.703 121.223 0.051 0.000 2.322 412 L HA 0.813 5.153 4.340 0.000 0.000 0.279 412 L C -0.692 176.230 176.870 0.087 0.000 1.036 412 L CA -0.054 54.756 54.840 -0.049 0.000 0.807 412 L CB 1.326 43.301 42.059 -0.140 0.000 1.226 412 L HN 0.580 nan 8.230 nan 0.000 0.433 413 F N 1.013 120.964 119.950 0.001 0.000 2.599 413 F HA 0.721 5.248 4.527 0.000 0.000 0.311 413 F C 0.828 176.668 175.800 0.066 0.000 1.076 413 F CA -0.551 57.478 58.000 0.048 0.000 0.937 413 F CB 1.172 40.183 39.000 0.019 0.000 1.282 413 F HN 0.447 nan 8.300 nan 0.000 0.460 414 G N -0.093 108.845 108.800 0.230 0.000 2.421 414 G HA2 0.419 4.379 3.960 0.000 0.000 0.217 414 G HA3 0.419 4.379 3.960 0.000 0.000 0.217 414 G C 0.353 175.350 174.900 0.162 0.000 1.143 414 G CA 0.462 45.635 45.100 0.120 0.000 0.784 414 G HN 1.315 nan 8.290 nan 0.000 0.541 415 G N -0.764 108.220 108.800 0.306 0.000 2.340 415 G HA2 0.473 4.433 3.960 0.000 0.000 0.299 415 G HA3 0.473 4.433 3.960 0.000 0.000 0.299 415 G C -1.652 173.321 174.900 0.122 0.000 1.291 415 G CA -0.038 45.247 45.100 0.308 0.000 0.841 415 G HN 0.819 nan 8.290 nan 0.000 0.500 416 N N -3.205 115.376 118.700 -0.198 0.000 3.378 416 N HA 0.262 5.002 4.740 0.000 0.000 0.294 416 N C 0.581 175.550 175.510 -0.901 0.000 1.544 416 N CA -0.034 52.613 53.050 -0.672 0.000 0.872 416 N CB 0.150 38.443 38.487 -0.323 0.000 1.670 416 N HN 0.700 nan 8.380 nan 0.000 0.551 417 H N -1.930 116.557 119.070 -0.972 0.000 2.556 417 H HA 0.233 4.789 4.556 0.000 0.000 0.268 417 H C -0.689 174.641 175.328 0.003 0.000 0.996 417 H CA 0.626 56.419 56.048 -0.424 0.000 1.157 417 H CB -0.254 29.406 29.762 -0.170 0.000 1.355 417 H HN 0.523 nan 8.280 nan 0.000 0.597 418 D N 0.600 120.775 120.400 -0.376 0.000 2.398 418 D HA 0.143 4.783 4.640 0.000 0.000 0.210 418 D C 1.028 177.318 176.300 -0.017 0.000 1.094 418 D CA 0.158 54.054 54.000 -0.174 0.000 0.839 418 D CB 0.795 41.418 40.800 -0.295 0.000 0.963 418 D HN 0.564 nan 8.370 nan 0.000 0.506 419 M N -1.830 117.553 119.600 -0.363 0.000 2.664 419 M HA 0.712 5.192 4.480 0.000 0.000 0.279 419 M C -0.944 174.699 176.300 -1.094 0.000 1.275 419 M CA -1.221 53.772 55.300 -0.512 0.000 0.829 419 M CB 1.940 34.530 32.600 -0.016 0.000 1.727 419 M HN -0.259 nan 8.290 nan 0.000 0.459 420 A N 1.606 124.023 122.820 -0.672 0.000 2.561 420 A HA 0.282 4.602 4.320 0.000 0.000 0.234 420 A C 0.163 177.674 177.584 -0.122 0.000 1.055 420 A CA -0.094 51.742 52.037 -0.336 0.000 0.756 420 A CB 0.075 19.056 19.000 -0.032 0.000 0.986 420 A HN 0.737 nan 8.150 nan 0.000 0.505 421 R N 2.016 122.563 120.500 0.078 0.000 2.585 421 R HA -0.033 4.307 4.340 0.000 0.000 0.275 421 R C 1.462 177.889 176.300 0.212 0.000 1.018 421 R CA 0.281 56.499 56.100 0.197 0.000 1.072 421 R CB -0.007 30.447 30.300 0.258 0.000 0.953 421 R HN 1.003 nan 8.270 nan 0.000 0.419 422 M N 2.758 122.516 119.600 0.262 0.000 2.089 422 M HA -0.274 4.206 4.480 0.000 0.000 0.257 422 M C 1.520 178.097 176.300 0.461 0.000 1.071 422 M CA 2.046 57.541 55.300 0.325 0.000 1.096 422 M CB -0.180 32.637 32.600 0.362 0.000 1.330 422 M HN 0.572 nan 8.290 nan 0.000 0.403 423 F N 0.455 120.588 119.950 0.306 0.000 2.146 423 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 423 F C 2.329 178.226 175.800 0.162 0.000 1.096 423 F CA 1.824 59.955 58.000 0.218 0.000 1.275 423 F CB -0.671 38.328 39.000 -0.001 0.000 1.008 423 F HN 0.154 nan 8.300 nan 0.000 0.480 424 S N 0.333 116.091 115.700 0.096 0.000 2.368 424 S HA -0.119 4.351 4.470 0.000 0.000 0.224 424 S C 2.320 176.919 174.600 -0.003 0.000 1.029 424 S CA 0.983 59.175 58.200 -0.013 0.000 0.988 424 S CB -0.834 62.417 63.200 0.084 0.000 0.838 424 S HN 0.481 nan 8.310 nan 0.000 0.462 425 A N 1.102 123.961 122.820 0.065 0.000 2.019 425 A HA 0.187 4.507 4.320 0.000 0.000 0.219 425 A C 1.975 179.582 177.584 0.038 0.000 1.164 425 A CA 1.442 53.511 52.037 0.054 0.000 0.644 425 A CB -0.586 18.457 19.000 0.073 0.000 0.805 425 A HN 0.497 nan 8.150 nan 0.000 0.449 426 A N -1.404 121.448 122.820 0.054 0.000 2.337 426 A HA 0.444 4.764 4.320 0.000 0.000 0.227 426 A C 1.580 179.129 177.584 -0.058 0.000 1.259 426 A CA 0.895 52.962 52.037 0.050 0.000 0.870 426 A CB -1.139 17.985 19.000 0.206 0.000 0.927 426 A HN 1.807 nan 8.150 nan 0.000 0.497 427 G N -0.040 108.692 108.800 -0.114 0.000 2.249 427 G HA2 -0.296 3.664 3.960 0.000 0.000 0.273 427 G HA3 -0.296 3.664 3.960 0.000 0.000 0.273 427 G C 0.101 174.831 174.900 -0.283 0.000 1.036 427 G CA 0.484 45.497 45.100 -0.144 0.000 0.824 427 G HN 0.851 nan 8.290 nan 0.000 0.504 428 E N -1.170 118.636 120.200 -0.657 0.000 2.586 428 E HA -0.230 4.120 4.350 0.000 0.000 0.259 428 E C 0.003 176.290 176.600 -0.522 0.000 1.107 428 E CA 1.069 56.710 56.400 -1.265 0.000 0.754 428 E CB -0.651 28.688 29.700 -0.600 0.000 1.335 428 E HN 0.625 nan 8.360 nan 0.000 0.411 429 D N -0.331 119.938 120.400 -0.219 0.000 2.443 429 D HA 0.108 4.748 4.640 0.000 0.000 0.221 429 D C 0.294 176.815 176.300 0.369 0.000 1.097 429 D CA -0.419 53.648 54.000 0.110 0.000 0.865 429 D CB 0.324 41.166 40.800 0.070 0.000 1.034 429 D HN -0.000 nan 8.370 nan 0.000 0.511 430 F N 3.649 123.817 119.950 0.363 0.000 2.171 430 F HA -0.158 4.369 4.527 0.000 0.000 0.300 430 F C 1.598 177.630 175.800 0.387 0.000 1.090 430 F CA 1.357 59.612 58.000 0.425 0.000 1.293 430 F CB 0.342 39.480 39.000 0.230 0.000 1.013 430 F HN 0.342 nan 8.300 nan 0.000 0.486 431 D N -0.036 120.537 120.400 0.289 0.000 2.117 431 D HA -0.139 4.501 4.640 0.000 0.000 0.198 431 D C 2.370 178.730 176.300 0.101 0.000 0.982 431 D CA 1.132 55.221 54.000 0.148 0.000 0.828 431 D CB -0.297 40.599 40.800 0.160 0.000 0.967 431 D HN 0.367 nan 8.370 nan 0.000 0.464 432 R N -0.451 120.135 120.500 0.143 0.000 2.115 432 R HA -0.097 4.243 4.340 0.000 0.000 0.226 432 R C 2.161 178.549 176.300 0.147 0.000 1.100 432 R CA 0.660 56.828 56.100 0.114 0.000 0.980 432 R CB -0.295 30.063 30.300 0.096 0.000 0.875 432 R HN 0.263 nan 8.270 nan 0.000 0.445 433 W N 2.079 123.393 121.300 0.023 0.000 2.338 433 W HA -0.165 4.495 4.660 0.000 0.000 0.304 433 W C 1.882 178.379 176.519 -0.037 0.000 1.212 433 W CA 1.317 58.694 57.345 0.053 0.000 1.264 433 W CB -0.003 29.572 29.460 0.192 0.000 1.142 433 W HN -0.118 nan 8.180 nan 0.000 0.512 434 R N -0.393 120.101 120.500 -0.010 0.000 2.091 434 R HA -0.215 4.125 4.340 0.000 0.000 0.238 434 R C 2.287 178.490 176.300 -0.163 0.000 1.136 434 R CA 2.303 58.284 56.100 -0.198 0.000 0.959 434 R CB -0.699 29.514 30.300 -0.145 0.000 0.856 434 R HN 0.318 nan 8.270 nan 0.000 0.437 435 M N -0.134 119.429 119.600 -0.062 0.000 2.086 435 M HA -0.199 4.281 4.480 0.000 0.000 0.261 435 M C 2.096 178.409 176.300 0.022 0.000 1.067 435 M CA 1.677 56.978 55.300 0.002 0.000 1.116 435 M CB -0.556 32.064 32.600 0.033 0.000 1.348 435 M HN 0.267 nan 8.290 nan 0.000 0.407 436 N N 0.527 119.195 118.700 -0.053 0.000 2.104 436 N HA -0.206 4.534 4.740 0.000 0.000 0.190 436 N C 1.710 177.211 175.510 -0.016 0.000 1.024 436 N CA 0.942 53.979 53.050 -0.022 0.000 0.853 436 N CB 0.079 38.506 38.487 -0.101 0.000 1.008 436 N HN 0.128 nan 8.380 nan 0.000 0.424 437 L N 0.710 121.764 121.223 -0.281 0.000 2.027 437 L HA -0.061 4.279 4.340 0.000 0.000 0.206 437 L C 2.083 178.944 176.870 -0.015 0.000 1.074 437 L CA 1.212 55.910 54.840 -0.238 0.000 0.745 437 L CB -0.596 41.100 42.059 -0.604 0.000 0.898 437 L HN 0.006 nan 8.230 nan 0.000 0.433 438 V N -0.317 119.596 119.914 -0.001 0.000 2.287 438 V HA -0.339 3.781 4.120 0.000 0.000 0.248 438 V C 2.353 178.576 176.094 0.215 0.000 1.053 438 V CA 2.258 64.611 62.300 0.088 0.000 1.027 438 V CB -0.947 30.902 31.823 0.044 0.000 0.646 438 V HN 0.565 nan 8.190 nan 0.000 0.447 439 F N 0.569 120.583 119.950 0.106 0.000 2.095 439 F HA -0.217 4.310 4.527 0.000 0.000 0.298 439 F C 2.099 177.977 175.800 0.130 0.000 1.104 439 F CA 2.038 60.150 58.000 0.185 0.000 1.232 439 F CB -0.446 38.667 39.000 0.188 0.000 0.987 439 F HN 0.140 nan 8.300 nan 0.000 0.475 440 L N 0.319 121.597 121.223 0.093 0.000 2.042 440 L HA -0.211 4.129 4.340 0.000 0.000 0.210 440 L C 1.931 178.799 176.870 -0.004 0.000 1.076 440 L CA 1.891 56.723 54.840 -0.014 0.000 0.749 440 L CB -0.736 41.409 42.059 0.143 0.000 0.893 440 L HN 0.207 nan 8.230 nan 0.000 0.432 441 M N -1.158 118.490 119.600 0.081 0.000 2.561 441 M HA 0.086 4.566 4.480 0.000 0.000 0.238 441 M C 1.520 177.899 176.300 0.130 0.000 1.131 441 M CA 1.149 56.523 55.300 0.123 0.000 1.046 441 M CB -1.130 31.584 32.600 0.189 0.000 1.532 441 M HN 0.592 nan 8.290 nan 0.000 0.497 442 T N -4.319 110.291 114.554 0.095 0.000 2.975 442 T HA 0.268 4.618 4.350 0.000 0.000 0.261 442 T C 0.889 175.599 174.700 0.017 0.000 0.984 442 T CA -0.261 61.914 62.100 0.126 0.000 0.911 442 T CB 0.619 69.649 68.868 0.270 0.000 1.127 442 T HN -0.050 nan 8.240 nan 0.000 0.514 443 M N 3.192 122.691 119.600 -0.168 0.000 2.232 443 M HA 0.271 4.751 4.480 0.000 0.000 0.321 443 M C -2.280 173.921 176.300 -0.165 0.000 1.101 443 M CA -2.286 52.841 55.300 -0.288 0.000 1.181 443 M CB 0.006 32.283 32.600 -0.537 0.000 1.432 443 M HN -0.031 nan 8.290 nan 0.000 0.457 444 P HA 0.222 nan 4.420 nan 0.000 0.237 444 P C -0.662 176.571 177.300 -0.112 0.000 1.788 444 P CA 0.170 63.205 63.100 -0.107 0.000 1.061 444 P CB 0.154 31.792 31.700 -0.104 0.000 1.967 445 R N 1.355 121.796 120.500 -0.099 0.000 2.766 445 R HA 0.530 4.870 4.340 0.000 0.000 0.270 445 R C -0.185 176.093 176.300 -0.036 0.000 1.035 445 R CA -1.141 54.905 56.100 -0.090 0.000 0.911 445 R CB 1.195 31.418 30.300 -0.128 0.000 1.243 445 R HN 0.206 nan 8.270 nan 0.000 0.460 446 I N 4.186 124.755 120.570 -0.002 0.000 2.297 446 I HA 0.230 4.400 4.170 0.000 0.000 0.291 446 I C -1.903 174.261 176.117 0.078 0.000 1.033 446 I CA -1.803 59.530 61.300 0.054 0.000 1.253 446 I CB 1.477 39.551 38.000 0.124 0.000 1.396 446 I HN 0.058 nan 8.210 nan 0.000 0.476 447 P HA 0.120 nan 4.420 nan 0.000 0.284 447 P C -1.261 176.194 177.300 0.257 0.000 1.253 447 P CA -0.394 62.803 63.100 0.162 0.000 0.800 447 P CB 1.615 33.415 31.700 0.166 0.000 0.961 448 Q N 2.842 122.832 119.800 0.316 0.000 2.372 448 Q HA 0.494 4.834 4.340 0.000 0.000 0.273 448 Q C -2.248 174.014 176.000 0.436 0.000 1.078 448 Q CA -0.745 55.271 55.803 0.354 0.000 0.806 448 Q CB 2.075 30.993 28.738 0.299 0.000 1.332 448 Q HN 0.434 nan 8.270 nan 0.000 0.435 449 F N 2.924 122.972 119.950 0.164 0.000 2.565 449 F HA 0.431 4.958 4.527 -0.000 0.000 0.313 449 F C -1.775 173.972 175.800 -0.090 0.000 1.091 449 F CA -0.761 57.309 58.000 0.116 0.000 0.915 449 F CB 1.490 40.591 39.000 0.169 0.000 1.208 449 F HN 0.573 nan 8.300 nan 0.000 0.453 450 Y N 4.675 124.625 120.300 -0.583 0.000 2.335 450 Y HA 0.385 4.935 4.550 0.000 0.000 0.339 450 Y C 0.159 175.786 175.900 -0.454 0.000 0.987 450 Y CA -1.024 56.788 58.100 -0.481 0.000 1.140 450 Y CB 1.061 39.348 38.460 -0.288 0.000 1.173 450 Y HN 0.577 nan 8.280 nan 0.000 0.486 451 S N 4.320 119.505 115.700 -0.858 0.000 2.593 451 S HA 0.317 4.787 4.470 0.000 0.000 0.300 451 S C 1.196 175.641 174.600 -0.259 0.000 1.267 451 S CA 1.528 59.357 58.200 -0.617 0.000 1.065 451 S CB -0.591 62.229 63.200 -0.634 0.000 0.807 451 S HN 1.599 nan 8.310 nan 0.000 0.499 452 G N 4.771 113.760 108.800 0.315 0.000 2.279 452 G HA2 -0.209 3.751 3.960 0.000 0.000 0.223 452 G HA3 -0.209 3.751 3.960 0.000 0.000 0.223 452 G C 0.556 175.558 174.900 0.170 0.000 1.015 452 G CA 0.447 45.684 45.100 0.227 0.000 0.621 452 G HN 0.668 nan 8.290 nan 0.000 0.506 453 D N 1.457 121.940 120.400 0.139 0.000 2.263 453 D HA -0.015 4.625 4.640 0.000 0.000 0.208 453 D C 2.427 179.089 176.300 0.603 0.000 0.971 453 D CA 1.323 55.458 54.000 0.225 0.000 0.867 453 D CB -0.111 40.591 40.800 -0.163 0.000 0.929 453 D HN 0.765 nan 8.370 nan 0.000 0.492 454 E N 1.135 121.825 120.200 0.817 0.000 2.427 454 E HA -0.122 4.228 4.350 0.000 0.000 0.196 454 E C 1.607 178.412 176.600 0.342 0.000 1.028 454 E CA 0.429 57.263 56.400 0.723 0.000 0.864 454 E CB -0.331 29.757 29.700 0.647 0.000 0.813 454 E HN 0.470 nan 8.360 nan 0.000 0.514 455 I N -2.024 118.658 120.570 0.186 0.000 3.856 455 I HA 0.285 4.455 4.170 0.000 0.000 0.330 455 I C 0.202 176.211 176.117 -0.181 0.000 1.546 455 I CA -0.696 60.580 61.300 -0.040 0.000 1.132 455 I CB 0.085 38.026 38.000 -0.098 0.000 1.157 455 I HN -0.171 nan 8.210 nan 0.000 0.440 456 L N -0.205 120.894 121.223 -0.207 0.000 3.717 456 L HA -0.200 4.140 4.340 0.000 0.000 0.411 456 L C 0.270 177.066 176.870 -0.123 0.000 1.233 456 L CA 0.397 54.980 54.840 -0.429 0.000 0.917 456 L CB -1.892 39.498 42.059 -1.116 0.000 1.902 456 L HN 0.550 nan 8.230 nan 0.000 0.894 457 M N 0.392 119.990 119.600 -0.004 0.000 2.250 457 M HA 0.135 4.615 4.480 0.000 0.000 0.337 457 M C 1.141 177.543 176.300 0.170 0.000 1.161 457 M CA 1.394 56.726 55.300 0.054 0.000 1.088 457 M CB 0.463 33.084 32.600 0.036 0.000 1.639 457 M HN 0.376 nan 8.290 nan 0.000 0.447 458 T N -0.457 114.197 114.554 0.167 0.000 2.949 458 T HA 0.840 5.190 4.350 0.000 0.000 0.287 458 T C -0.265 174.545 174.700 0.183 0.000 1.034 458 T CA -0.721 61.501 62.100 0.202 0.000 1.018 458 T CB 1.838 70.813 68.868 0.179 0.000 1.135 458 T HN 0.809 nan 8.240 nan 0.000 0.532 459 S N -0.355 115.461 115.700 0.193 0.000 2.656 459 S HA 0.672 5.142 4.470 0.000 0.000 0.273 459 S C -0.064 174.646 174.600 0.182 0.000 1.168 459 S CA -0.542 57.792 58.200 0.224 0.000 0.817 459 S CB 0.711 64.160 63.200 0.415 0.000 1.146 459 S HN 1.333 nan 8.310 nan 0.000 0.475 460 T N -0.790 113.870 114.554 0.176 0.000 2.855 460 T HA 0.402 4.752 4.350 0.000 0.000 0.314 460 T C 1.371 176.202 174.700 0.218 0.000 1.077 460 T CA 0.097 62.289 62.100 0.153 0.000 1.095 460 T CB 0.438 69.369 68.868 0.106 0.000 0.987 460 T HN 1.663 nan 8.240 nan 0.000 0.546 461 V N -2.769 117.234 119.914 0.148 0.000 3.570 461 V HA 0.438 4.558 4.120 0.000 0.000 0.257 461 V C 0.694 176.866 176.094 0.130 0.000 1.272 461 V CA -0.166 62.215 62.300 0.135 0.000 1.079 461 V CB -0.648 31.223 31.823 0.079 0.000 0.829 461 V HN 0.742 nan 8.190 nan 0.000 0.454 462 K N 1.571 122.039 120.400 0.113 0.000 2.174 462 K HA 0.591 4.911 4.320 0.000 0.000 0.275 462 K C 0.911 177.577 176.600 0.111 0.000 1.015 462 K CA 1.163 57.505 56.287 0.092 0.000 0.933 462 K CB 0.715 33.254 32.500 0.063 0.000 1.025 462 K HN 0.667 nan 8.250 nan 0.000 0.463 463 G N 2.381 111.240 108.800 0.099 0.000 2.566 463 G HA2 -0.336 3.624 3.960 0.000 0.000 0.280 463 G HA3 -0.336 3.624 3.960 0.000 0.000 0.280 463 G C -1.010 173.975 174.900 0.142 0.000 1.225 463 G CA 0.474 45.631 45.100 0.095 0.000 0.966 463 G HN 0.713 nan 8.290 nan 0.000 0.560 464 R N 0.516 121.077 120.500 0.103 0.000 2.451 464 R HA 0.598 4.938 4.340 0.000 0.000 0.307 464 R C -1.485 174.815 176.300 0.001 0.000 0.965 464 R CA -0.004 56.166 56.100 0.118 0.000 0.865 464 R CB 1.445 31.779 30.300 0.056 0.000 1.174 464 R HN 0.595 nan 8.270 nan 0.000 0.455 465 D N 3.146 123.462 120.400 -0.140 0.000 2.621 465 D HA 0.176 4.816 4.640 0.000 0.000 0.274 465 D C -0.333 175.492 176.300 -0.792 0.000 1.215 465 D CA -0.260 53.527 54.000 -0.354 0.000 0.810 465 D CB 0.677 41.336 40.800 -0.234 0.000 1.248 465 D HN 0.505 nan 8.370 nan 0.000 0.517 466 D N 1.009 121.139 120.400 -0.449 0.000 2.133 466 D HA -0.193 4.447 4.640 0.000 0.000 0.192 466 D C 1.982 178.135 176.300 -0.245 0.000 1.001 466 D CA 1.705 55.515 54.000 -0.317 0.000 0.844 466 D CB 0.059 40.841 40.800 -0.029 0.000 0.944 466 D HN 0.505 nan 8.370 nan 0.000 0.447 467 A N 0.548 123.273 122.820 -0.157 0.000 1.940 467 A HA -0.197 4.123 4.320 0.000 0.000 0.219 467 A C 2.268 179.796 177.584 -0.093 0.000 1.176 467 A CA 2.529 54.519 52.037 -0.079 0.000 0.631 467 A CB -0.773 18.174 19.000 -0.088 0.000 0.814 467 A HN 0.348 nan 8.150 nan 0.000 0.446 468 S N -1.246 114.327 115.700 -0.211 0.000 2.447 468 S HA -0.138 4.332 4.470 0.000 0.000 0.233 468 S C 1.466 176.135 174.600 0.116 0.000 1.006 468 S CA 1.237 59.389 58.200 -0.080 0.000 0.957 468 S CB -0.680 62.481 63.200 -0.064 0.000 0.773 468 S HN 0.583 nan 8.310 nan 0.000 0.507 469 Y N 1.346 121.737 120.300 0.152 0.000 2.490 469 Y HA 0.442 4.992 4.550 -0.000 0.000 0.281 469 Y C 1.631 177.721 175.900 0.316 0.000 1.174 469 Y CA -0.702 57.537 58.100 0.232 0.000 1.295 469 Y CB -0.332 38.253 38.460 0.208 0.000 1.062 469 Y HN 0.283 nan 8.280 nan 0.000 0.522 470 R N -0.058 120.640 120.500 0.330 0.000 2.642 470 R HA 0.206 4.546 4.340 0.000 0.000 0.435 470 R C -0.100 176.299 176.300 0.164 0.000 1.046 470 R CA -0.468 55.815 56.100 0.305 0.000 1.103 470 R CB 0.692 31.191 30.300 0.331 0.000 1.425 470 R HN -0.117 nan 8.270 nan 0.000 0.586 471 R N 1.420 121.999 120.500 0.132 0.000 2.734 471 R HA 0.036 4.376 4.340 0.000 0.000 0.266 471 R C -0.090 176.258 176.300 0.080 0.000 1.044 471 R CA 0.063 56.206 56.100 0.072 0.000 1.128 471 R CB 0.224 30.546 30.300 0.036 0.000 1.010 471 R HN 0.051 nan 8.270 nan 0.000 0.461 472 D N 1.257 121.667 120.400 0.016 0.000 2.443 472 D HA -0.054 4.586 4.640 0.000 0.000 0.239 472 D C -0.031 176.346 176.300 0.130 0.000 1.136 472 D CA 0.132 54.141 54.000 0.015 0.000 0.879 472 D CB 0.218 40.747 40.800 -0.452 0.000 1.195 472 D HN 0.239 nan 8.370 nan 0.000 0.443 473 F N 3.388 123.446 119.950 0.180 0.000 2.543 473 F HA 0.179 4.706 4.527 0.000 0.000 0.375 473 F C -1.815 173.968 175.800 -0.028 0.000 1.075 473 F CA -1.863 56.176 58.000 0.064 0.000 1.225 473 F CB 0.570 39.633 39.000 0.104 0.000 1.099 473 F HN 0.105 nan 8.300 nan 0.000 0.561 474 P HA 0.212 nan 4.420 nan 0.000 0.271 474 P C 0.399 177.474 177.300 -0.375 0.000 1.233 474 P CA 0.767 63.634 63.100 -0.388 0.000 0.764 474 P CB 0.718 32.161 31.700 -0.428 0.000 0.825 475 G N 2.906 111.669 108.800 -0.061 0.000 2.201 475 G HA2 -0.201 3.759 3.960 0.000 0.000 0.212 475 G HA3 -0.201 3.759 3.960 0.000 0.000 0.212 475 G C 1.095 176.154 174.900 0.265 0.000 0.994 475 G CA 0.025 45.162 45.100 0.061 0.000 0.644 475 G HN 0.695 nan 8.290 nan 0.000 0.508 476 G N -1.073 107.945 108.800 0.362 0.000 2.650 476 G HA2 0.247 4.207 3.960 0.000 0.000 0.214 476 G HA3 0.247 4.207 3.960 0.000 0.000 0.214 476 G C 0.551 175.459 174.900 0.013 0.000 1.136 476 G CA 0.505 45.760 45.100 0.259 0.000 0.789 476 G HN 0.411 nan 8.290 nan 0.000 0.536 477 W N -0.199 121.142 121.300 0.068 0.000 2.785 477 W HA 0.634 5.294 4.660 0.000 0.000 0.333 477 W C -0.104 176.438 176.519 0.039 0.000 1.062 477 W CA -1.807 55.569 57.345 0.051 0.000 1.233 477 W CB 1.718 31.198 29.460 0.033 0.000 1.413 477 W HN 0.075 nan 8.180 nan 0.000 0.489 478 A N 1.300 124.226 122.820 0.175 0.000 2.565 478 A HA 0.406 4.726 4.320 0.000 0.000 0.237 478 A C 1.156 178.820 177.584 0.134 0.000 1.053 478 A CA 1.701 53.810 52.037 0.119 0.000 0.755 478 A CB -0.302 18.741 19.000 0.073 0.000 0.980 478 A HN 1.534 nan 8.150 nan 0.000 0.506 479 G N 1.894 110.748 108.800 0.091 0.000 2.199 479 G HA2 -0.204 3.756 3.960 0.000 0.000 0.254 479 G HA3 -0.204 3.756 3.960 0.000 0.000 0.254 479 G C -0.010 174.924 174.900 0.056 0.000 0.982 479 G CA 0.308 45.447 45.100 0.066 0.000 0.632 479 G HN 0.876 nan 8.290 nan 0.000 0.529 480 D N 0.830 121.278 120.400 0.081 0.000 2.493 480 D HA 0.287 4.927 4.640 0.000 0.000 0.240 480 D C 1.646 177.954 176.300 0.013 0.000 1.142 480 D CA -0.023 54.005 54.000 0.047 0.000 0.872 480 D CB 0.793 41.638 40.800 0.074 0.000 1.173 480 D HN 0.172 nan 8.370 nan 0.000 0.467 481 K N 1.005 121.397 120.400 -0.013 0.000 2.228 481 K HA 0.068 4.388 4.320 0.000 0.000 0.202 481 K C 0.548 177.129 176.600 -0.032 0.000 1.051 481 K CA 0.430 56.704 56.287 -0.021 0.000 0.960 481 K CB 0.226 32.708 32.500 -0.030 0.000 0.743 481 K HN 0.380 nan 8.250 nan 0.000 0.458 482 A N 1.765 124.553 122.820 -0.054 0.000 2.350 482 A HA 0.499 4.819 4.320 0.000 0.000 0.324 482 A C -0.873 176.651 177.584 -0.100 0.000 1.118 482 A CA -0.669 51.320 52.037 -0.080 0.000 0.783 482 A CB 0.992 19.924 19.000 -0.113 0.000 1.236 482 A HN 0.109 nan 8.150 nan 0.000 0.457 483 N N 1.324 119.963 118.700 -0.100 0.000 2.577 483 N HA 0.412 5.152 4.740 0.000 0.000 0.275 483 N C 0.401 175.812 175.510 -0.163 0.000 1.091 483 N CA 0.201 53.186 53.050 -0.108 0.000 0.843 483 N CB 1.742 40.234 38.487 0.008 0.000 1.295 483 N HN 0.609 nan 8.380 nan 0.000 0.530 484 A N 3.168 125.761 122.820 -0.378 0.000 2.066 484 A HA 0.038 4.358 4.320 0.000 0.000 0.218 484 A C 1.386 178.830 177.584 -0.233 0.000 1.157 484 A CA 0.780 52.606 52.037 -0.351 0.000 0.670 484 A CB -0.613 17.997 19.000 -0.649 0.000 0.804 484 A HN 0.658 nan 8.150 nan 0.000 0.453 485 F N 0.946 120.796 119.950 -0.168 0.000 2.134 485 F HA -0.203 4.324 4.527 0.000 0.000 0.299 485 F C 2.868 178.674 175.800 0.011 0.000 1.097 485 F CA 1.461 59.290 58.000 -0.285 0.000 1.264 485 F CB -0.086 38.736 39.000 -0.297 0.000 1.001 485 F HN 0.371 nan 8.300 nan 0.000 0.479 486 S N -1.072 114.743 115.700 0.192 0.000 2.492 486 S HA 0.361 4.831 4.470 0.000 0.000 0.218 486 S C 1.774 176.439 174.600 0.108 0.000 1.016 486 S CA 0.448 58.739 58.200 0.151 0.000 0.916 486 S CB 0.488 63.757 63.200 0.115 0.000 0.791 486 S HN 0.563 nan 8.310 nan 0.000 0.513 487 G N 1.185 110.028 108.800 0.072 0.000 2.195 487 G HA2 -0.125 3.835 3.960 0.000 0.000 0.246 487 G HA3 -0.125 3.835 3.960 0.000 0.000 0.246 487 G C 0.315 175.219 174.900 0.006 0.000 0.984 487 G CA -0.059 45.066 45.100 0.042 0.000 0.633 487 G HN 1.364 nan 8.290 nan 0.000 0.525 488 A N 0.174 122.998 122.820 0.008 0.000 2.546 488 A HA 0.606 4.926 4.320 0.000 0.000 0.243 488 A C 2.118 179.683 177.584 -0.032 0.000 1.063 488 A CA 1.951 53.985 52.037 -0.005 0.000 0.757 488 A CB -0.215 18.789 19.000 0.007 0.000 0.991 488 A HN 2.395 nan 8.150 nan 0.000 0.503 489 G N 1.307 110.087 108.800 -0.033 0.000 2.189 489 G HA2 -0.226 3.734 3.960 0.000 0.000 0.267 489 G HA3 -0.226 3.734 3.960 0.000 0.000 0.267 489 G C 0.193 175.053 174.900 -0.067 0.000 0.975 489 G CA 0.458 45.529 45.100 -0.048 0.000 0.644 489 G HN 0.818 nan 8.290 nan 0.000 0.537 490 L N 1.803 122.984 121.223 -0.069 0.000 2.426 490 L HA 0.395 4.735 4.340 0.000 0.000 0.271 490 L C 1.720 178.541 176.870 -0.081 0.000 1.169 490 L CA 0.180 54.969 54.840 -0.085 0.000 0.836 490 L CB 0.491 42.505 42.059 -0.075 0.000 1.112 490 L HN 0.428 nan 8.230 nan 0.000 0.465 491 T N -1.598 112.896 114.554 -0.100 0.000 2.766 491 T HA 0.052 4.402 4.350 0.000 0.000 0.295 491 T C 1.313 175.944 174.700 -0.116 0.000 1.024 491 T CA -0.234 61.804 62.100 -0.102 0.000 1.018 491 T CB 1.178 69.977 68.868 -0.115 0.000 1.002 491 T HN 0.748 nan 8.240 nan 0.000 0.532 492 S N 0.085 115.716 115.700 -0.116 0.000 2.382 492 S HA -0.249 4.221 4.470 0.000 0.000 0.228 492 S C 2.049 176.528 174.600 -0.202 0.000 1.027 492 S CA 1.249 59.371 58.200 -0.129 0.000 0.991 492 S CB -0.847 62.286 63.200 -0.112 0.000 0.823 492 S HN 0.828 nan 8.310 nan 0.000 0.469 493 Q N 0.906 120.546 119.800 -0.265 0.000 2.079 493 Q HA -0.159 4.181 4.340 0.000 0.000 0.200 493 Q C 2.446 178.208 176.000 -0.396 0.000 0.974 493 Q CA 1.498 57.035 55.803 -0.444 0.000 0.840 493 Q CB -0.213 28.258 28.738 -0.444 0.000 0.898 493 Q HN 0.751 nan 8.270 nan 0.000 0.430 494 Q N -0.266 119.365 119.800 -0.282 0.000 2.084 494 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 494 Q C 2.142 178.065 176.000 -0.129 0.000 0.978 494 Q CA 1.454 57.120 55.803 -0.228 0.000 0.844 494 Q CB -0.138 28.489 28.738 -0.185 0.000 0.898 494 Q HN 0.100 nan 8.270 nan 0.000 0.426 495 R N 0.964 121.403 120.500 -0.103 0.000 2.096 495 R HA -0.083 4.257 4.340 0.000 0.000 0.235 495 R C 1.918 178.215 176.300 -0.005 0.000 1.127 495 R CA 1.597 57.676 56.100 -0.035 0.000 0.968 495 R CB -0.739 29.540 30.300 -0.035 0.000 0.861 495 R HN 0.261 nan 8.270 nan 0.000 0.440 496 A N 0.256 123.040 122.820 -0.061 0.000 1.902 496 A HA -0.033 4.287 4.320 0.000 0.000 0.217 496 A C 2.380 180.091 177.584 0.210 0.000 1.181 496 A CA 1.792 53.836 52.037 0.012 0.000 0.623 496 A CB -1.098 17.797 19.000 -0.175 0.000 0.818 496 A HN 0.472 nan 8.150 nan 0.000 0.443 497 A N -0.814 122.108 122.820 0.171 0.000 1.865 497 A HA -0.269 4.051 4.320 0.000 0.000 0.217 497 A C 2.231 180.007 177.584 0.320 0.000 1.191 497 A CA 1.957 54.151 52.037 0.263 0.000 0.623 497 A CB -0.738 18.157 19.000 -0.175 0.000 0.826 497 A HN 0.645 nan 8.150 nan 0.000 0.444 498 Q N -0.768 119.153 119.800 0.201 0.000 2.084 498 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 498 Q C 1.392 177.504 176.000 0.187 0.000 0.978 498 Q CA 1.841 57.779 55.803 0.225 0.000 0.844 498 Q CB -0.187 28.669 28.738 0.197 0.000 0.898 498 Q HN 0.616 nan 8.270 nan 0.000 0.426 499 D N 0.287 120.777 120.400 0.151 0.000 2.149 499 D HA -0.166 4.474 4.640 0.000 0.000 0.198 499 D C 1.773 178.144 176.300 0.118 0.000 0.990 499 D CA 0.727 54.794 54.000 0.112 0.000 0.839 499 D CB -0.139 40.710 40.800 0.082 0.000 0.948 499 D HN 0.215 nan 8.370 nan 0.000 0.460 500 L N 0.348 121.685 121.223 0.189 0.000 2.109 500 L HA -0.082 4.258 4.340 0.000 0.000 0.207 500 L C 2.180 179.134 176.870 0.139 0.000 1.086 500 L CA 1.089 56.032 54.840 0.170 0.000 0.760 500 L CB -0.362 41.869 42.059 0.286 0.000 0.910 500 L HN -0.131 nan 8.230 nan 0.000 0.437 501 V N -0.064 119.963 119.914 0.189 0.000 2.295 501 V HA -0.301 3.819 4.120 0.000 0.000 0.246 501 V C 2.762 178.849 176.094 -0.012 0.000 1.049 501 V CA 2.143 64.484 62.300 0.067 0.000 1.024 501 V CB -0.740 31.117 31.823 0.057 0.000 0.648 501 V HN 0.505 nan 8.190 nan 0.000 0.447 502 R N 0.287 120.803 120.500 0.025 0.000 2.081 502 R HA -0.215 4.125 4.340 0.000 0.000 0.235 502 R C 2.407 178.718 176.300 0.019 0.000 1.131 502 R CA 2.077 58.170 56.100 -0.012 0.000 0.960 502 R CB -0.247 30.064 30.300 0.019 0.000 0.856 502 R HN 0.532 nan 8.270 nan 0.000 0.436 503 K N 0.423 120.855 120.400 0.054 0.000 1.985 503 K HA -0.140 4.180 4.320 0.000 0.000 0.210 503 K C 2.114 178.843 176.600 0.214 0.000 1.047 503 K CA 1.582 57.928 56.287 0.097 0.000 0.932 503 K CB -0.166 32.331 32.500 -0.005 0.000 0.716 503 K HN 0.189 nan 8.250 nan 0.000 0.439 504 L N 0.511 121.832 121.223 0.163 0.000 2.017 504 L HA -0.152 4.188 4.340 0.000 0.000 0.208 504 L C 2.688 179.703 176.870 0.241 0.000 1.073 504 L CA 1.285 56.278 54.840 0.255 0.000 0.745 504 L CB -0.528 41.618 42.059 0.145 0.000 0.894 504 L HN 0.359 nan 8.230 nan 0.000 0.432 505 A N -0.056 122.769 122.820 0.009 0.000 1.902 505 A HA -0.200 4.120 4.320 0.000 0.000 0.217 505 A C 2.080 179.604 177.584 -0.100 0.000 1.181 505 A CA 1.724 53.657 52.037 -0.174 0.000 0.623 505 A CB -0.577 18.057 19.000 -0.609 0.000 0.818 505 A HN 0.444 nan 8.150 nan 0.000 0.443 506 N N -1.438 117.245 118.700 -0.030 0.000 2.166 506 N HA -0.197 4.543 4.740 0.000 0.000 0.186 506 N C 1.569 177.138 175.510 0.098 0.000 1.019 506 N CA 1.623 54.682 53.050 0.015 0.000 0.856 506 N CB -0.411 38.097 38.487 0.036 0.000 0.993 506 N HN 0.800 nan 8.380 nan 0.000 0.426 507 W N 2.780 124.060 121.300 -0.034 0.000 2.335 507 W HA -0.089 4.571 4.660 0.000 0.000 0.311 507 W C 2.524 178.960 176.519 -0.139 0.000 1.213 507 W CA 1.336 58.610 57.345 -0.118 0.000 1.274 507 W CB -0.372 28.971 29.460 -0.194 0.000 1.148 507 W HN -0.072 nan 8.180 nan 0.000 0.498 508 R N 0.806 121.278 120.500 -0.048 0.000 2.105 508 R HA -0.193 4.147 4.340 0.000 0.000 0.239 508 R C 2.217 178.437 176.300 -0.134 0.000 1.135 508 R CA 1.877 57.819 56.100 -0.263 0.000 0.967 508 R CB -0.374 29.910 30.300 -0.026 0.000 0.861 508 R HN 0.175 nan 8.270 nan 0.000 0.442 509 K N -0.079 120.281 120.400 -0.067 0.000 2.160 509 K HA -0.113 4.207 4.320 0.000 0.000 0.206 509 K C 0.906 177.510 176.600 0.007 0.000 1.047 509 K CA 1.354 57.635 56.287 -0.010 0.000 0.930 509 K CB -0.025 32.445 32.500 -0.050 0.000 0.720 509 K HN 0.222 nan 8.250 nan 0.000 0.450 510 N N 0.786 119.396 118.700 -0.151 0.000 2.251 510 N HA -0.004 4.736 4.740 0.000 0.000 0.217 510 N C -0.601 174.676 175.510 -0.388 0.000 1.124 510 N CA 0.356 53.283 53.050 -0.205 0.000 0.843 510 N CB 0.836 39.215 38.487 -0.181 0.000 1.024 510 N HN 0.085 nan 8.380 nan 0.000 0.501 511 Q N 0.041 119.490 119.800 -0.586 0.000 2.644 511 Q HA 0.316 4.656 4.340 0.000 0.000 0.245 511 Q C -1.878 173.512 176.000 -1.017 0.000 1.064 511 Q CA -1.677 53.662 55.803 -0.773 0.000 0.860 511 Q CB 1.676 29.816 28.738 -0.997 0.000 1.145 511 Q HN 0.046 nan 8.270 nan 0.000 0.515 512 P HA -0.182 nan 4.420 nan 0.000 0.217 512 P C 1.506 178.559 177.300 -0.412 0.000 1.148 512 P CA 0.744 63.519 63.100 -0.543 0.000 0.828 512 P CB 0.450 32.008 31.700 -0.235 0.000 0.783 513 V N -0.695 119.008 119.914 -0.351 0.000 2.490 513 V HA -0.207 3.913 4.120 0.000 0.000 0.250 513 V C 1.943 177.903 176.094 -0.222 0.000 1.061 513 V CA 1.593 63.756 62.300 -0.229 0.000 1.064 513 V CB -0.813 30.921 31.823 -0.149 0.000 0.670 513 V HN 0.018 nan 8.190 nan 0.000 0.461 514 I N -0.614 119.760 120.570 -0.327 0.000 2.406 514 I HA -0.178 3.992 4.170 0.000 0.000 0.249 514 I C 2.250 178.317 176.117 -0.083 0.000 1.122 514 I CA 1.608 62.785 61.300 -0.205 0.000 1.431 514 I CB -0.479 37.373 38.000 -0.246 0.000 1.087 514 I HN 0.445 nan 8.210 nan 0.000 0.424 515 H N 0.991 119.977 119.070 -0.140 0.000 2.395 515 H HA -0.053 4.503 4.556 0.000 0.000 0.299 515 H C 1.139 176.408 175.328 -0.099 0.000 1.070 515 H CA 1.396 57.377 56.048 -0.111 0.000 1.356 515 H CB 0.024 29.723 29.762 -0.106 0.000 1.401 515 H HN 0.471 nan 8.280 nan 0.000 0.524 516 N N -0.671 118.023 118.700 -0.010 0.000 2.039 516 N HA 0.087 4.827 4.740 0.000 0.000 0.228 516 N C 0.475 175.925 175.510 -0.100 0.000 1.369 516 N CA 0.246 53.269 53.050 -0.046 0.000 0.806 516 N CB 0.080 38.551 38.487 -0.027 0.000 1.190 516 N HN 0.168 nan 8.380 nan 0.000 0.506 517 G N 0.456 109.176 108.800 -0.134 0.000 2.634 517 G HA2 0.305 4.265 3.960 0.000 0.000 0.255 517 G HA3 0.305 4.265 3.960 0.000 0.000 0.255 517 G C 0.151 174.896 174.900 -0.260 0.000 1.205 517 G CA -0.544 44.440 45.100 -0.194 0.000 0.884 517 G HN 0.068 nan 8.290 nan 0.000 0.549 518 R N -1.151 119.060 120.500 -0.482 0.000 2.707 518 R HA 0.292 4.632 4.340 0.000 0.000 0.270 518 R C -0.558 175.505 176.300 -0.396 0.000 1.083 518 R CA -0.588 55.161 56.100 -0.584 0.000 1.182 518 R CB 0.822 30.428 30.300 -1.157 0.000 1.084 518 R HN 0.328 nan 8.270 nan 0.000 0.528 519 L N 1.384 122.508 121.223 -0.165 0.000 2.362 519 L HA 0.512 4.852 4.340 0.000 0.000 0.275 519 L C -0.802 176.192 176.870 0.206 0.000 0.998 519 L CA -0.264 54.605 54.840 0.047 0.000 0.820 519 L CB 1.606 43.634 42.059 -0.051 0.000 1.270 519 L HN 0.622 nan 8.230 nan 0.000 0.415 520 M N 5.856 125.703 119.600 0.411 0.000 2.197 520 M HA 0.467 4.947 4.480 0.000 0.000 0.301 520 M C -1.459 175.069 176.300 0.381 0.000 0.987 520 M CA -0.372 55.114 55.300 0.309 0.000 0.921 520 M CB 0.994 33.740 32.600 0.244 0.000 1.569 520 M HN 0.912 nan 8.290 nan 0.000 0.431 521 H N 1.974 121.186 119.070 0.236 0.000 2.616 521 H HA 0.673 5.229 4.556 0.000 0.000 0.353 521 H C -1.810 173.618 175.328 0.167 0.000 1.170 521 H CA -1.042 55.224 56.048 0.363 0.000 1.212 521 H CB 1.477 31.560 29.762 0.535 0.000 1.653 521 H HN 0.546 nan 8.280 nan 0.000 0.537 522 F N 0.261 120.524 119.950 0.522 0.000 2.492 522 F HA 0.354 4.881 4.527 0.000 0.000 0.327 522 F C 1.054 176.849 175.800 -0.009 0.000 1.079 522 F CA -0.627 57.570 58.000 0.329 0.000 0.967 522 F CB 1.877 41.152 39.000 0.457 0.000 1.169 522 F HN 0.842 nan 8.300 nan 0.000 0.472 523 G N 3.072 111.689 108.800 -0.305 0.000 2.272 523 G HA2 0.290 4.250 3.960 0.000 0.000 0.247 523 G HA3 0.290 4.250 3.960 0.000 0.000 0.247 523 G C -2.699 172.023 174.900 -0.298 0.000 1.272 523 G CA -0.828 43.680 45.100 -0.987 0.000 0.921 523 G HN 0.253 nan 8.290 nan 0.000 0.495 524 P HA 0.164 nan 4.420 nan 0.000 0.269 524 P C -0.397 176.877 177.300 -0.043 0.000 1.209 524 P CA 0.162 63.218 63.100 -0.074 0.000 0.776 524 P CB 0.953 32.503 31.700 -0.250 0.000 0.876 525 E N 1.225 121.448 120.200 0.038 0.000 2.241 525 E HA 0.145 4.495 4.350 0.000 0.000 0.263 525 E C -0.616 176.004 176.600 0.034 0.000 0.882 525 E CA -0.584 55.833 56.400 0.028 0.000 0.769 525 E CB 1.076 30.802 29.700 0.044 0.000 1.185 525 E HN 0.398 nan 8.360 nan 0.000 0.415 526 E N 2.501 122.711 120.200 0.016 0.000 2.328 526 E HA -0.303 4.047 4.350 0.000 0.000 0.233 526 E C -0.352 176.261 176.600 0.022 0.000 1.219 526 E CA 0.117 56.527 56.400 0.016 0.000 0.717 526 E CB -0.996 28.716 29.700 0.021 0.000 1.210 526 E HN 0.633 nan 8.360 nan 0.000 0.381 527 N N -0.829 117.879 118.700 0.013 0.000 2.741 527 N HA -0.155 4.585 4.740 0.000 0.000 0.250 527 N C -0.579 174.967 175.510 0.060 0.000 1.115 527 N CA 1.888 54.948 53.050 0.017 0.000 0.724 527 N CB -1.059 37.432 38.487 0.008 0.000 1.090 527 N HN 0.624 nan 8.380 nan 0.000 0.558 528 T N -3.346 111.261 114.554 0.089 0.000 2.888 528 T HA 0.624 4.974 4.350 0.000 0.000 0.284 528 T C -0.671 174.183 174.700 0.257 0.000 1.017 528 T CA -0.664 61.518 62.100 0.138 0.000 1.022 528 T CB 2.375 71.308 68.868 0.109 0.000 1.013 528 T HN 0.268 nan 8.240 nan 0.000 0.465 529 W N 2.579 123.890 121.300 0.020 0.000 3.097 529 W HA 0.627 5.287 4.660 -0.000 0.000 0.335 529 W C -2.271 174.258 176.519 0.017 0.000 1.114 529 W CA -1.353 56.029 57.345 0.062 0.000 1.231 529 W CB 1.601 31.127 29.460 0.109 0.000 1.388 529 W HN 0.714 nan 8.180 nan 0.000 0.485 530 V N 7.758 127.612 119.914 -0.100 0.000 2.588 530 V HA 0.569 4.689 4.120 0.000 0.000 0.304 530 V C -0.980 174.953 176.094 -0.270 0.000 1.042 530 V CA -0.800 61.239 62.300 -0.434 0.000 0.877 530 V CB 1.194 32.570 31.823 -0.744 0.000 0.996 530 V HN 0.365 nan 8.190 nan 0.000 0.425 531 Y N 2.601 122.597 120.300 -0.508 0.000 2.615 531 Y HA 0.885 5.436 4.550 0.000 0.000 0.341 531 Y C -1.832 173.913 175.900 -0.258 0.000 1.089 531 Y CA -1.802 56.195 58.100 -0.171 0.000 1.049 531 Y CB 1.654 39.938 38.460 -0.294 0.000 1.296 531 Y HN 0.370 nan 8.280 nan 0.000 0.470 532 F N 1.515 121.648 119.950 0.305 0.000 2.556 532 F HA 0.663 5.190 4.527 -0.000 0.000 0.314 532 F C -0.376 175.621 175.800 0.327 0.000 1.106 532 F CA -1.078 57.062 58.000 0.233 0.000 0.911 532 F CB 1.991 41.124 39.000 0.223 0.000 1.190 532 F HN 0.325 nan 8.300 nan 0.000 0.448 533 R N 2.640 123.385 120.500 0.409 0.000 2.346 533 R HA 0.497 4.837 4.340 0.000 0.000 0.311 533 R C -1.351 175.137 176.300 0.313 0.000 0.983 533 R CA -0.753 55.503 56.100 0.260 0.000 0.880 533 R CB 1.226 31.594 30.300 0.114 0.000 1.100 533 R HN 0.814 nan 8.270 nan 0.000 0.453 534 Y N -0.158 120.194 120.300 0.086 0.000 2.571 534 Y HA 0.617 5.167 4.550 0.000 0.000 0.341 534 Y C -0.890 175.020 175.900 0.015 0.000 1.076 534 Y CA -1.310 56.825 58.100 0.060 0.000 1.029 534 Y CB 1.605 40.107 38.460 0.070 0.000 1.308 534 Y HN 0.688 nan 8.280 nan 0.000 0.461 535 N N 0.045 118.827 118.700 0.136 0.000 3.364 535 N HA 0.194 4.934 4.740 0.000 0.000 0.294 535 N C -0.392 175.179 175.510 0.101 0.000 1.562 535 N CA -0.697 52.391 53.050 0.063 0.000 0.862 535 N CB 0.713 39.176 38.487 -0.040 0.000 1.691 535 N HN 0.757 nan 8.380 nan 0.000 0.572 536 K N -1.435 118.998 120.400 0.055 0.000 2.442 536 K HA 0.040 4.360 4.320 0.000 0.000 0.198 536 K C -0.420 176.198 176.600 0.029 0.000 1.042 536 K CA 1.276 57.591 56.287 0.046 0.000 0.958 536 K CB -0.132 32.385 32.500 0.028 0.000 0.766 536 K HN 0.390 nan 8.250 nan 0.000 0.474 537 D N 0.566 120.976 120.400 0.017 0.000 2.338 537 D HA 0.058 4.698 4.640 0.000 0.000 0.208 537 D C 0.003 176.308 176.300 0.009 0.000 0.997 537 D CA 0.640 54.642 54.000 0.002 0.000 0.880 537 D CB 0.555 41.343 40.800 -0.022 0.000 0.980 537 D HN 0.193 nan 8.370 nan 0.000 0.509 538 K N -0.075 120.340 120.400 0.024 0.000 2.578 538 K HA 0.410 4.730 4.320 0.000 0.000 0.269 538 K C -1.491 175.162 176.600 0.088 0.000 0.941 538 K CA -0.596 55.712 56.287 0.034 0.000 0.847 538 K CB 2.341 34.833 32.500 -0.012 0.000 1.397 538 K HN -0.269 nan 8.250 nan 0.000 0.422 539 R N 2.886 123.457 120.500 0.117 0.000 2.599 539 R HA 0.554 4.894 4.340 0.000 0.000 0.295 539 R C -0.789 175.615 176.300 0.173 0.000 0.963 539 R CA -0.690 55.531 56.100 0.202 0.000 0.883 539 R CB 1.461 31.907 30.300 0.245 0.000 1.171 539 R HN 0.457 nan 8.270 nan 0.000 0.450 540 I N 3.379 124.060 120.570 0.185 0.000 2.389 540 I HA 0.329 4.499 4.170 0.000 0.000 0.288 540 I C -0.307 175.800 176.117 -0.016 0.000 0.999 540 I CA -0.493 60.871 61.300 0.106 0.000 1.129 540 I CB 1.905 39.980 38.000 0.126 0.000 1.288 540 I HN 0.434 nan 8.210 nan 0.000 0.444 541 M N 7.663 127.135 119.600 -0.213 0.000 2.088 541 M HA 0.472 4.952 4.480 0.000 0.000 0.346 541 M C -1.547 174.376 176.300 -0.628 0.000 1.111 541 M CA -0.530 54.337 55.300 -0.721 0.000 1.017 541 M CB 1.086 33.239 32.600 -0.746 0.000 1.568 541 M HN 0.305 nan 8.290 nan 0.000 0.445 542 V N 4.732 124.134 119.914 -0.852 0.000 2.427 542 V HA 0.825 4.945 4.120 0.000 0.000 0.286 542 V C -0.123 175.479 176.094 -0.820 0.000 1.034 542 V CA -0.550 61.253 62.300 -0.828 0.000 0.893 542 V CB 1.232 32.372 31.823 -1.140 0.000 0.982 542 V HN 0.918 nan 8.190 nan 0.000 0.452 543 A N 6.171 128.685 122.820 -0.509 0.000 2.398 543 A HA 0.885 5.205 4.320 0.000 0.000 0.301 543 A C -0.889 176.579 177.584 -0.194 0.000 1.041 543 A CA -0.556 51.254 52.037 -0.379 0.000 0.711 543 A CB 1.526 20.309 19.000 -0.362 0.000 1.240 543 A HN 0.772 nan 8.150 nan 0.000 0.420 544 M N 2.105 121.657 119.600 -0.081 0.000 2.393 544 M HA 0.349 4.829 4.480 0.000 0.000 0.316 544 M C -0.591 175.739 176.300 0.049 0.000 1.087 544 M CA -0.533 54.777 55.300 0.017 0.000 0.937 544 M CB 2.071 34.750 32.600 0.132 0.000 1.668 544 M HN 0.742 nan 8.290 nan 0.000 0.438 545 N N 2.378 121.099 118.700 0.035 0.000 2.706 545 N HA 0.179 4.919 4.740 0.000 0.000 0.240 545 N C -1.062 174.475 175.510 0.045 0.000 1.039 545 N CA -0.300 52.775 53.050 0.042 0.000 0.888 545 N CB 0.482 38.985 38.487 0.026 0.000 1.128 545 N HN 0.491 nan 8.380 nan 0.000 0.512 546 N N 3.347 122.078 118.700 0.052 0.000 3.259 546 N HA 0.178 4.918 4.740 0.000 0.000 0.308 546 N C -1.359 174.169 175.510 0.031 0.000 1.334 546 N CA -0.005 53.069 53.050 0.041 0.000 1.202 546 N CB -0.504 38.004 38.487 0.034 0.000 1.485 546 N HN 0.486 nan 8.380 nan 0.000 0.549 547 N N -0.127 118.592 118.700 0.033 0.000 2.396 547 N HA 0.028 4.768 4.740 0.000 0.000 0.275 547 N C -1.332 174.196 175.510 0.030 0.000 1.218 547 N CA -0.470 52.596 53.050 0.028 0.000 0.812 547 N CB 1.441 39.944 38.487 0.026 0.000 1.592 547 N HN 0.129 nan 8.380 nan 0.000 0.480 548 D N 1.253 121.670 120.400 0.028 0.000 2.690 548 D HA 0.098 4.738 4.640 0.000 0.000 0.236 548 D C -0.657 175.658 176.300 0.025 0.000 1.218 548 D CA 0.273 54.290 54.000 0.029 0.000 0.829 548 D CB -0.121 40.696 40.800 0.029 0.000 1.009 548 D HN 0.410 nan 8.370 nan 0.000 0.482 549 K N -1.280 119.135 120.400 0.024 0.000 2.532 549 K HA 0.577 4.897 4.320 0.000 0.000 0.265 549 K C -3.114 173.499 176.600 0.022 0.000 0.948 549 K CA -1.806 54.494 56.287 0.021 0.000 0.842 549 K CB 1.953 34.464 32.500 0.018 0.000 1.392 549 K HN -0.273 nan 8.250 nan 0.000 0.436 550 P HA 0.162 nan 4.420 nan 0.000 0.274 550 P C -0.847 176.465 177.300 0.019 0.000 1.231 550 P CA -0.230 62.881 63.100 0.018 0.000 0.790 550 P CB 0.561 32.270 31.700 0.015 0.000 0.951 551 M N 1.068 120.681 119.600 0.021 0.000 2.446 551 M HA 0.338 4.818 4.480 0.000 0.000 0.294 551 M C -0.460 175.855 176.300 0.026 0.000 1.158 551 M CA -0.251 55.064 55.300 0.025 0.000 0.899 551 M CB 2.140 34.759 32.600 0.032 0.000 1.687 551 M HN 0.175 nan 8.290 nan 0.000 0.455 552 T N 3.999 118.570 114.554 0.028 0.000 2.809 552 T HA 0.713 5.063 4.350 0.000 0.000 0.284 552 T C -0.374 174.352 174.700 0.043 0.000 0.992 552 T CA -0.537 61.581 62.100 0.031 0.000 0.957 552 T CB 1.043 69.924 68.868 0.021 0.000 0.942 552 T HN 0.464 nan 8.240 nan 0.000 0.439 553 L N 4.952 126.216 121.223 0.068 0.000 2.294 553 L HA 0.416 4.756 4.340 0.000 0.000 0.283 553 L C -2.471 174.457 176.870 0.097 0.000 1.015 553 L CA -2.501 52.404 54.840 0.108 0.000 0.831 553 L CB 1.277 43.470 42.059 0.224 0.000 1.217 553 L HN 0.273 nan 8.230 nan 0.000 0.420 554 P HA -0.015 nan 4.420 nan 0.000 0.262 554 P C 0.868 178.133 177.300 -0.057 0.000 1.182 554 P CA 0.119 63.202 63.100 -0.028 0.000 0.761 554 P CB 0.640 32.294 31.700 -0.077 0.000 0.795 555 T N -0.303 114.261 114.554 0.017 0.000 3.129 555 T HA 0.089 4.439 4.350 0.000 0.000 0.251 555 T C 1.653 176.316 174.700 -0.061 0.000 1.117 555 T CA 0.545 62.700 62.100 0.091 0.000 1.034 555 T CB -0.468 68.501 68.868 0.169 0.000 0.968 555 T HN 0.276 nan 8.240 nan 0.000 0.526 556 A N 2.312 125.062 122.820 -0.117 0.000 1.978 556 A HA -0.090 4.230 4.320 0.000 0.000 0.220 556 A C 2.471 179.926 177.584 -0.214 0.000 1.170 556 A CA 1.542 53.507 52.037 -0.119 0.000 0.636 556 A CB -0.802 18.143 19.000 -0.092 0.000 0.810 556 A HN 0.522 nan 8.150 nan 0.000 0.448 557 R N -1.470 118.763 120.500 -0.446 0.000 2.127 557 R HA -0.155 4.185 4.340 0.000 0.000 0.238 557 R C 0.559 176.495 176.300 -0.606 0.000 1.134 557 R CA 1.772 57.495 56.100 -0.628 0.000 0.975 557 R CB -0.255 29.392 30.300 -1.088 0.000 0.865 557 R HN 0.514 nan 8.270 nan 0.000 0.447 558 F N 0.212 120.034 119.950 -0.213 0.000 2.641 558 F HA 0.212 4.739 4.527 -0.000 0.000 0.302 558 F C 1.704 177.433 175.800 -0.118 0.000 1.098 558 F CA -0.323 57.485 58.000 -0.320 0.000 1.318 558 F CB 0.214 39.031 39.000 -0.305 0.000 1.035 558 F HN -0.125 nan 8.300 nan 0.000 0.551 559 Q N 1.208 121.029 119.800 0.035 0.000 2.226 559 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 559 Q C 2.020 178.009 176.000 -0.019 0.000 0.975 559 Q CA 1.494 57.303 55.803 0.010 0.000 0.866 559 Q CB -0.409 28.325 28.738 -0.006 0.000 0.915 559 Q HN 0.670 nan 8.270 nan 0.000 0.440 560 E N -1.011 119.197 120.200 0.015 0.000 2.338 560 E HA -0.155 4.195 4.350 0.000 0.000 0.197 560 E C 1.596 178.091 176.600 -0.175 0.000 1.007 560 E CA 0.795 57.170 56.400 -0.042 0.000 0.849 560 E CB -0.062 29.640 29.700 0.003 0.000 0.774 560 E HN 0.157 nan 8.360 nan 0.000 0.506 561 M N -0.065 119.377 119.600 -0.263 0.000 2.657 561 M HA 0.122 4.602 4.480 0.000 0.000 0.262 561 M C 1.573 177.598 176.300 -0.459 0.000 1.213 561 M CA 0.440 55.365 55.300 -0.625 0.000 1.182 561 M CB 0.335 32.065 32.600 -1.450 0.000 1.303 561 M HN 0.089 nan 8.290 nan 0.000 0.501 562 L N 0.343 121.428 121.223 -0.231 0.000 2.209 562 L HA 0.061 4.401 4.340 0.000 0.000 0.207 562 L C 0.591 177.441 176.870 -0.033 0.000 1.094 562 L CA 1.035 55.845 54.840 -0.049 0.000 0.790 562 L CB -0.549 41.551 42.059 0.069 0.000 0.932 562 L HN 0.216 nan 8.230 nan 0.000 0.447 563 K N 0.704 121.076 120.400 -0.048 0.000 3.156 563 K HA -0.241 4.079 4.320 0.000 0.000 0.266 563 K C 1.111 177.706 176.600 -0.009 0.000 0.966 563 K CA 0.792 57.060 56.287 -0.032 0.000 0.719 563 K CB -2.367 30.106 32.500 -0.044 0.000 1.333 563 K HN 0.581 nan 8.250 nan 0.000 0.468 564 G N -1.426 107.375 108.800 0.003 0.000 2.168 564 G HA2 -0.317 3.643 3.960 0.000 0.000 0.263 564 G HA3 -0.317 3.643 3.960 0.000 0.000 0.263 564 G C 0.340 175.251 174.900 0.019 0.000 0.977 564 G CA 0.746 45.852 45.100 0.011 0.000 0.659 564 G HN 1.092 nan 8.290 nan 0.000 0.533 565 A N 0.782 123.618 122.820 0.026 0.000 2.548 565 A HA 0.525 4.845 4.320 0.000 0.000 0.247 565 A C 0.165 177.769 177.584 0.035 0.000 1.067 565 A CA 0.216 52.273 52.037 0.034 0.000 0.757 565 A CB 0.451 19.481 19.000 0.050 0.000 0.996 565 A HN 0.245 nan 8.150 nan 0.000 0.504 566 P HA 0.018 nan 4.420 nan 0.000 0.227 566 P C 0.153 177.467 177.300 0.024 0.000 1.161 566 P CA 1.272 64.386 63.100 0.023 0.000 0.788 566 P CB 0.082 31.793 31.700 0.018 0.000 0.822 567 S N -2.853 112.862 115.700 0.026 0.000 2.645 567 S HA 0.643 5.113 4.470 0.000 0.000 0.268 567 S C -0.827 173.787 174.600 0.024 0.000 1.110 567 S CA -0.302 57.910 58.200 0.020 0.000 0.823 567 S CB 1.131 64.340 63.200 0.015 0.000 1.091 567 S HN 0.295 nan 8.310 nan 0.000 0.466 568 G N -0.275 108.535 108.800 0.016 0.000 2.677 568 G HA2 0.595 4.555 3.960 0.000 0.000 0.291 568 G HA3 0.595 4.555 3.960 0.000 0.000 0.291 568 G C -1.629 173.279 174.900 0.013 0.000 1.435 568 G CA -0.560 44.552 45.100 0.021 0.000 0.826 568 G HN 1.206 nan 8.290 nan 0.000 0.491 569 V N 1.275 121.204 119.914 0.025 0.000 2.432 569 V HA 0.245 4.365 4.120 0.000 0.000 0.271 569 V C 0.029 176.138 176.094 0.024 0.000 1.046 569 V CA -0.417 61.898 62.300 0.024 0.000 0.945 569 V CB 1.248 33.096 31.823 0.041 0.000 0.992 569 V HN 0.777 nan 8.190 nan 0.000 0.471 570 D N 3.369 123.765 120.400 -0.006 0.000 2.358 570 D HA 0.003 4.643 4.640 0.000 0.000 0.258 570 D C 0.650 176.940 176.300 -0.017 0.000 1.223 570 D CA -0.134 53.850 54.000 -0.026 0.000 0.886 570 D CB 0.611 41.376 40.800 -0.059 0.000 1.120 570 D HN 0.396 nan 8.370 nan 0.000 0.482 571 F N 4.185 124.024 119.950 -0.186 0.000 2.216 571 F HA -0.086 4.441 4.527 0.000 0.000 0.300 571 F C 1.359 177.006 175.800 -0.255 0.000 1.085 571 F CA 1.190 59.032 58.000 -0.264 0.000 1.326 571 F CB -0.014 38.688 39.000 -0.496 0.000 1.027 571 F HN 0.467 nan 8.300 nan 0.000 0.497 572 L N -0.436 120.574 121.223 -0.354 0.000 2.023 572 L HA -0.165 4.175 4.340 0.000 0.000 0.205 572 L C 2.588 179.282 176.870 -0.294 0.000 1.073 572 L CA 1.686 56.298 54.840 -0.380 0.000 0.745 572 L CB -1.008 40.927 42.059 -0.206 0.000 0.900 572 L HN 0.296 nan 8.230 nan 0.000 0.435 573 S N -1.379 114.209 115.700 -0.187 0.000 2.503 573 S HA 0.166 4.636 4.470 0.000 0.000 0.215 573 S C 1.597 176.128 174.600 -0.115 0.000 1.003 573 S CA 0.422 58.547 58.200 -0.126 0.000 0.910 573 S CB 0.770 63.924 63.200 -0.077 0.000 0.790 573 S HN 0.539 nan 8.310 nan 0.000 0.514 574 G N 1.298 110.024 108.800 -0.124 0.000 2.184 574 G HA2 -0.288 3.672 3.960 0.000 0.000 0.264 574 G HA3 -0.288 3.672 3.960 0.000 0.000 0.264 574 G C 0.016 174.893 174.900 -0.037 0.000 0.975 574 G CA 0.530 45.586 45.100 -0.073 0.000 0.642 574 G HN 0.604 nan 8.290 nan 0.000 0.536 575 K N 0.820 121.197 120.400 -0.039 0.000 2.118 575 K HA 0.489 4.809 4.320 0.000 0.000 0.264 575 K C 0.224 176.815 176.600 -0.016 0.000 1.000 575 K CA -0.135 56.137 56.287 -0.024 0.000 0.929 575 K CB 0.735 33.220 32.500 -0.026 0.000 1.021 575 K HN 0.075 nan 8.250 nan 0.000 0.463 576 T N 1.869 116.418 114.554 -0.008 0.000 2.814 576 T HA 0.164 4.514 4.350 0.000 0.000 0.297 576 T C -0.251 174.444 174.700 -0.007 0.000 0.956 576 T CA -0.495 61.603 62.100 -0.003 0.000 1.123 576 T CB 0.481 69.351 68.868 0.003 0.000 0.902 576 T HN 0.133 nan 8.240 nan 0.000 0.528 577 V N 3.353 123.261 119.914 -0.010 0.000 2.398 577 V HA 0.573 4.693 4.120 0.000 0.000 0.286 577 V C 0.986 177.077 176.094 -0.006 0.000 1.026 577 V CA -1.028 61.263 62.300 -0.015 0.000 0.868 577 V CB 1.619 33.423 31.823 -0.032 0.000 0.982 577 V HN 1.017 nan 8.190 nan 0.000 0.443 578 G N 3.488 112.287 108.800 -0.002 0.000 2.398 578 G HA2 0.450 4.410 3.960 0.000 0.000 0.246 578 G HA3 0.450 4.410 3.960 0.000 0.000 0.246 578 G C 0.168 175.075 174.900 0.012 0.000 1.289 578 G CA -0.121 44.983 45.100 0.006 0.000 0.869 578 G HN 0.747 nan 8.290 nan 0.000 0.543 579 L N 2.218 123.455 121.223 0.022 0.000 3.360 579 L HA 0.206 4.546 4.340 0.000 0.000 0.303 579 L C 2.432 179.329 176.870 0.045 0.000 1.218 579 L CA 0.292 55.155 54.840 0.038 0.000 1.059 579 L CB 0.636 42.722 42.059 0.045 0.000 1.468 579 L HN 0.720 nan 8.230 nan 0.000 0.614 580 G N 0.609 109.427 108.800 0.030 0.000 2.446 580 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 580 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 580 G C 1.632 176.547 174.900 0.024 0.000 1.168 580 G CA 1.010 46.125 45.100 0.025 0.000 0.771 580 G HN 0.276 nan 8.290 nan 0.000 0.551 581 R N -0.118 120.396 120.500 0.023 0.000 2.492 581 R HA 0.212 4.552 4.340 0.000 0.000 0.219 581 R C -0.199 176.115 176.300 0.023 0.000 0.886 581 R CA 0.547 56.657 56.100 0.016 0.000 1.003 581 R CB 0.622 30.927 30.300 0.008 0.000 1.345 581 R HN 0.519 nan 8.270 nan 0.000 0.631 582 E N 0.515 120.735 120.200 0.033 0.000 2.390 582 E HA 0.179 4.529 4.350 0.000 0.000 0.280 582 E C -1.910 174.717 176.600 0.046 0.000 0.992 582 E CA -0.915 55.511 56.400 0.042 0.000 0.790 582 E CB 1.393 31.109 29.700 0.026 0.000 1.248 582 E HN -0.007 nan 8.360 nan 0.000 0.447 583 L N 1.799 123.058 121.223 0.060 0.000 2.294 583 L HA 0.472 4.812 4.340 0.000 0.000 0.283 583 L C -0.797 176.085 176.870 0.021 0.000 1.015 583 L CA -0.504 54.354 54.840 0.031 0.000 0.831 583 L CB 1.231 43.301 42.059 0.018 0.000 1.217 583 L HN 0.577 nan 8.230 nan 0.000 0.420 584 R N 6.087 126.592 120.500 0.008 0.000 2.204 584 R HA 0.432 4.772 4.340 0.000 0.000 0.341 584 R C -1.520 174.779 176.300 -0.002 0.000 1.035 584 R CA -0.392 55.712 56.100 0.007 0.000 0.887 584 R CB 0.132 30.436 30.300 0.006 0.000 1.114 584 R HN 0.748 nan 8.270 nan 0.000 0.473 585 L N 3.657 124.881 121.223 0.002 0.000 2.282 585 L HA 0.462 4.802 4.340 0.000 0.000 0.288 585 L C 0.693 177.566 176.870 0.006 0.000 1.033 585 L CA -0.793 54.045 54.840 -0.003 0.000 0.807 585 L CB 1.718 43.775 42.059 -0.005 0.000 1.209 585 L HN 0.577 nan 8.230 nan 0.000 0.423 586 A N 5.239 128.062 122.820 0.005 0.000 2.346 586 A HA 0.488 4.808 4.320 0.000 0.000 0.252 586 A C -2.324 175.272 177.584 0.020 0.000 1.089 586 A CA -1.177 50.868 52.037 0.013 0.000 0.797 586 A CB -0.399 18.610 19.000 0.013 0.000 1.047 586 A HN 0.456 nan 8.150 nan 0.000 0.494 587 P HA 0.058 nan 4.420 nan 0.000 0.264 587 P C -0.476 176.847 177.300 0.039 0.000 1.183 587 P CA 0.595 63.714 63.100 0.031 0.000 0.763 587 P CB 0.079 31.799 31.700 0.033 0.000 0.807 588 K N -0.569 119.856 120.400 0.041 0.000 3.035 588 K HA -0.150 4.170 4.320 0.000 0.000 0.262 588 K C 0.035 176.663 176.600 0.046 0.000 1.024 588 K CA 0.646 56.963 56.287 0.050 0.000 0.748 588 K CB -2.090 30.450 32.500 0.067 0.000 1.247 588 K HN 0.668 nan 8.250 nan 0.000 0.482 589 S N -1.003 114.715 115.700 0.030 0.000 2.638 589 S HA 0.756 5.226 4.470 0.000 0.000 0.298 589 S C -0.249 174.350 174.600 -0.003 0.000 1.111 589 S CA -0.695 57.514 58.200 0.015 0.000 1.027 589 S CB 2.773 65.975 63.200 0.004 0.000 1.064 589 S HN 0.254 nan 8.310 nan 0.000 0.525 590 V N 1.479 121.380 119.914 -0.022 0.000 2.808 590 V HA 0.770 4.890 4.120 0.000 0.000 0.308 590 V C -0.970 175.076 176.094 -0.080 0.000 1.099 590 V CA -0.457 61.812 62.300 -0.053 0.000 0.920 590 V CB 1.799 33.598 31.823 -0.041 0.000 1.014 590 V HN 1.294 nan 8.190 nan 0.000 0.425 591 V N 4.135 123.977 119.914 -0.120 0.000 2.864 591 V HA 0.868 4.988 4.120 0.000 0.000 0.314 591 V C -0.872 175.119 176.094 -0.171 0.000 1.073 591 V CA -0.654 61.568 62.300 -0.131 0.000 0.956 591 V CB 1.965 33.714 31.823 -0.125 0.000 1.023 591 V HN 0.696 nan 8.190 nan 0.000 0.435 592 V N 4.772 124.600 119.914 -0.143 0.000 2.320 592 V HA 0.444 4.564 4.120 0.000 0.000 0.268 592 V C -0.175 175.871 176.094 -0.079 0.000 1.021 592 V CA -0.113 62.105 62.300 -0.138 0.000 0.813 592 V CB 0.768 32.499 31.823 -0.152 0.000 1.054 592 V HN 0.788 nan 8.190 nan 0.000 0.444 593 I N 3.480 123.984 120.570 -0.109 0.000 2.342 593 I HA 0.354 4.524 4.170 0.000 0.000 0.291 593 I C 0.436 176.554 176.117 0.002 0.000 1.010 593 I CA -0.109 61.157 61.300 -0.056 0.000 1.308 593 I CB 1.102 39.048 38.000 -0.091 0.000 1.400 593 I HN 0.531 nan 8.210 nan 0.000 0.488 594 E N 7.246 127.477 120.200 0.051 0.000 2.175 594 E HA 0.669 5.019 4.350 0.000 0.000 0.278 594 E C -1.010 175.633 176.600 0.071 0.000 0.969 594 E CA -0.590 55.861 56.400 0.084 0.000 0.796 594 E CB 2.173 31.942 29.700 0.115 0.000 1.104 594 E HN 0.430 nan 8.360 nan 0.000 0.395 595 L N 3.091 124.363 121.223 0.080 0.000 2.359 595 L HA 0.518 4.858 4.340 0.000 0.000 0.256 595 L C -2.411 174.499 176.870 0.066 0.000 1.026 595 L CA -2.475 52.411 54.840 0.076 0.000 0.828 595 L CB 1.899 44.021 42.059 0.104 0.000 1.406 595 L HN 0.326 nan 8.230 nan 0.000 0.413 596 P HA 0.083 nan 4.420 nan 0.000 0.272 596 P C -0.189 177.140 177.300 0.048 0.000 1.254 596 P CA -0.274 62.851 63.100 0.041 0.000 0.795 596 P CB 0.289 32.008 31.700 0.031 0.000 1.022 597 G N -0.064 108.759 108.800 0.039 0.000 2.647 597 G HA2 0.220 4.180 3.960 0.000 0.000 0.234 597 G HA3 0.220 4.180 3.960 0.000 0.000 0.234 597 G C -0.889 174.037 174.900 0.044 0.000 1.252 597 G CA -0.154 44.974 45.100 0.047 0.000 0.846 597 G HN 0.477 nan 8.290 nan 0.000 0.589 598 L N 2.873 124.132 121.223 0.060 0.000 2.265 598 L HA 0.472 4.812 4.340 0.000 0.000 0.289 598 L C -1.752 175.140 176.870 0.036 0.000 1.033 598 L CA -1.565 53.291 54.840 0.027 0.000 0.814 598 L CB 1.224 43.285 42.059 0.003 0.000 1.203 598 L HN 0.306 nan 8.230 nan 0.000 0.423 599 P HA 0.000 nan 4.420 nan 0.000 0.216 599 P CA 0.000 63.110 63.100 0.016 0.000 0.800 599 P CB 0.000 31.703 31.700 0.004 0.000 0.726