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 3hy1_1_B DATA FIRST_RESID 1 DATA SEQUENCE SKSTAEIRQA FLDFFHSKGH QVVASSSLVP HNDPTLLFTN AGMNQFKDVF DATA SEQUENCE LGLDKRNYSR ATTSQRCVRA GGKHNDLENV GYTARHHTFF EMLGNFSFGD DATA SEQUENCE YFKLDAILFA WLLLTSEKWF ALPKERLWVT VYESDDEAYE IWEKEVGIPR DATA SEQUENCE ERIIRIGDNK GAPYASDNFW QMGDTGPCGP CTEIFYDHXX XXXXXXXXXX DATA SEQUENCE XXXXXRYIEI WNIVFMQFNR QADGTMEPLP KPSVDTAMGL ERIAAVLQHV DATA SEQUENCE NSNYDIDLFR TLIQAVAKVT GATDLSNKSL RVIADHIRSC AFLIADGVMP DATA SEQUENCE SNENRGYVLR RIIRRAVRHG NMLGAKETFF YKLVGPLIDV MGSAGEDLKR DATA SEQUENCE QQAQVEQVLK TEEEQFARTL ERGLALLDEE LAKLSGDTLD GETAFRLYDT DATA SEQUENCE YGFPVDLTAD VCRERNIKVD EAGFEAAMEE QRRRARE 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.603 174.600 0.005 0.000 1.055 1 S CA 0.000 58.225 58.200 0.041 0.000 1.107 1 S CB 0.000 63.243 63.200 0.072 0.000 0.593 2 K N 1.287 121.675 120.400 -0.020 0.000 2.350 2 K HA 0.400 4.661 4.320 -0.098 0.000 0.279 2 K C 0.489 177.062 176.600 -0.045 0.000 1.027 2 K CA -0.182 56.088 56.287 -0.029 0.000 0.969 2 K CB 1.098 33.575 32.500 -0.039 0.000 0.954 2 K HN 0.636 nan 8.250 nan 0.000 0.474 3 S N 1.317 117.001 115.700 -0.027 0.000 2.600 3 S HA 0.024 4.435 4.470 -0.098 0.000 0.265 3 S C 1.219 175.789 174.600 -0.051 0.000 1.325 3 S CA -0.421 57.760 58.200 -0.031 0.000 1.002 3 S CB 0.900 64.090 63.200 -0.016 0.000 0.921 3 S HN 0.602 nan 8.310 nan 0.000 0.554 4 T N 3.410 117.930 114.554 -0.057 0.000 2.746 4 T HA -0.065 4.226 4.350 -0.098 0.000 0.267 4 T C 2.022 176.691 174.700 -0.052 0.000 1.039 4 T CA 1.510 63.566 62.100 -0.074 0.000 1.142 4 T CB -0.687 68.135 68.868 -0.078 0.000 0.866 4 T HN 0.736 nan 8.240 nan 0.000 0.444 5 A N 1.557 124.358 122.820 -0.032 0.000 1.930 5 A HA -0.108 4.153 4.320 -0.098 0.000 0.217 5 A C 2.216 179.808 177.584 0.014 0.000 1.175 5 A CA 1.405 53.436 52.037 -0.010 0.000 0.627 5 A CB -0.446 18.549 19.000 -0.007 0.000 0.815 5 A HN 0.560 nan 8.150 nan 0.000 0.443 6 E N -0.311 119.898 120.200 0.016 0.000 2.072 6 E HA -0.118 4.173 4.350 -0.098 0.000 0.191 6 E C 1.867 178.520 176.600 0.088 0.000 0.985 6 E CA 1.110 57.539 56.400 0.049 0.000 0.801 6 E CB -0.271 29.452 29.700 0.039 0.000 0.750 6 E HN 0.704 nan 8.360 nan 0.000 0.452 7 I N 0.906 121.502 120.570 0.043 0.000 2.179 7 I HA -0.278 3.833 4.170 -0.098 0.000 0.242 7 I C 2.765 178.963 176.117 0.135 0.000 1.088 7 I CA 1.036 62.375 61.300 0.065 0.000 1.357 7 I CB -0.277 37.635 38.000 -0.147 0.000 1.051 7 I HN 0.026 nan 8.210 nan 0.000 0.409 8 R N 0.693 121.225 120.500 0.054 0.000 2.105 8 R HA -0.271 4.010 4.340 -0.098 0.000 0.239 8 R C 2.335 178.727 176.300 0.154 0.000 1.135 8 R CA 1.928 58.071 56.100 0.072 0.000 0.967 8 R CB -0.147 30.159 30.300 0.010 0.000 0.861 8 R HN 0.280 nan 8.270 nan 0.000 0.442 9 Q N 0.157 120.035 119.800 0.130 0.000 2.046 9 Q HA -0.034 4.248 4.340 -0.098 0.000 0.200 9 Q C 1.833 177.946 176.000 0.187 0.000 0.975 9 Q CA 2.090 57.973 55.803 0.133 0.000 0.836 9 Q CB -0.272 28.524 28.738 0.097 0.000 0.896 9 Q HN 0.405 nan 8.270 nan 0.000 0.428 10 A N -0.285 122.682 122.820 0.245 0.000 1.902 10 A HA -0.157 4.104 4.320 -0.098 0.000 0.217 10 A C 2.040 179.750 177.584 0.211 0.000 1.181 10 A CA 1.438 53.672 52.037 0.328 0.000 0.623 10 A CB -1.068 18.205 19.000 0.455 0.000 0.818 10 A HN 0.574 nan 8.150 nan 0.000 0.443 11 F N 0.587 120.602 119.950 0.110 0.000 2.102 11 F HA -0.146 4.321 4.527 -0.099 0.000 0.298 11 F C 1.909 177.777 175.800 0.114 0.000 1.105 11 F CA 1.870 59.902 58.000 0.055 0.000 1.239 11 F CB -0.185 38.873 39.000 0.097 0.000 0.991 11 F HN 0.137 nan 8.300 nan 0.000 0.474 12 L N -0.229 121.151 121.223 0.261 0.000 2.141 12 L HA -0.171 4.110 4.340 -0.098 0.000 0.209 12 L C 1.921 178.823 176.870 0.054 0.000 1.094 12 L CA 1.329 56.267 54.840 0.163 0.000 0.763 12 L CB -0.802 41.374 42.059 0.194 0.000 0.908 12 L HN 0.094 nan 8.230 nan 0.000 0.437 13 D N -0.064 120.366 120.400 0.051 0.000 2.084 13 D HA -0.213 4.368 4.640 -0.098 0.000 0.196 13 D C 1.832 178.092 176.300 -0.066 0.000 0.985 13 D CA 1.095 55.121 54.000 0.043 0.000 0.826 13 D CB -0.233 40.652 40.800 0.141 0.000 0.978 13 D HN 0.154 nan 8.370 nan 0.000 0.456 14 F N 0.377 120.034 119.950 -0.487 0.000 2.065 14 F HA -0.247 4.224 4.527 -0.094 0.000 0.298 14 F C 1.829 177.135 175.800 -0.823 0.000 1.112 14 F CA 1.436 58.843 58.000 -0.990 0.000 1.212 14 F CB -0.408 37.534 39.000 -1.763 0.000 0.975 14 F HN -0.098 nan 8.300 nan 0.000 0.476 15 F N -0.370 119.133 119.950 -0.745 0.000 2.259 15 F HA -0.120 4.348 4.527 -0.099 0.000 0.298 15 F C 2.780 178.266 175.800 -0.524 0.000 1.088 15 F CA 1.573 59.015 58.000 -0.929 0.000 1.358 15 F CB -1.166 37.245 39.000 -0.981 0.000 1.040 15 F HN 0.199 nan 8.300 nan 0.000 0.505 16 H N 0.048 119.004 119.070 -0.190 0.000 2.421 16 H HA -0.129 4.368 4.556 -0.099 0.000 0.298 16 H C 2.173 177.417 175.328 -0.140 0.000 1.087 16 H CA 1.702 57.698 56.048 -0.087 0.000 1.330 16 H CB -0.086 29.648 29.762 -0.047 0.000 1.388 16 H HN 0.305 nan 8.280 nan 0.000 0.526 17 S N -0.021 115.585 115.700 -0.157 0.000 2.515 17 S HA -0.011 4.401 4.470 -0.098 0.000 0.231 17 S C 1.265 175.665 174.600 -0.333 0.000 0.987 17 S CA 0.324 58.405 58.200 -0.198 0.000 0.936 17 S CB 0.036 63.140 63.200 -0.161 0.000 0.766 17 S HN 0.195 nan 8.310 nan 0.000 0.528 18 K N 0.985 121.121 120.400 -0.440 0.000 2.493 18 K HA 0.345 4.606 4.320 -0.098 0.000 0.207 18 K C 1.070 177.552 176.600 -0.196 0.000 1.033 18 K CA 0.342 56.373 56.287 -0.426 0.000 1.161 18 K CB -0.110 31.833 32.500 -0.927 0.000 0.873 18 K HN 0.508 nan 8.250 nan 0.000 0.491 19 G N 1.583 110.254 108.800 -0.216 0.000 2.137 19 G HA2 -0.257 3.644 3.960 -0.098 0.000 0.237 19 G HA3 -0.257 3.644 3.960 -0.098 0.000 0.237 19 G C -0.506 174.264 174.900 -0.217 0.000 1.002 19 G CA 0.007 44.977 45.100 -0.217 0.000 0.702 19 G HN 0.472 nan 8.290 nan 0.000 0.515 20 H N -0.353 118.583 119.070 -0.224 0.000 2.580 20 H HA 0.543 5.041 4.556 -0.097 0.000 0.322 20 H C 0.479 175.744 175.328 -0.105 0.000 1.082 20 H CA -0.204 55.774 56.048 -0.117 0.000 1.383 20 H CB 1.291 30.997 29.762 -0.093 0.000 1.450 20 H HN 0.269 nan 8.280 nan 0.000 0.505 21 Q N 2.641 122.433 119.800 -0.014 0.000 2.307 21 Q HA 0.170 4.451 4.340 -0.098 0.000 0.261 21 Q C -0.942 175.033 176.000 -0.042 0.000 1.051 21 Q CA -0.300 55.434 55.803 -0.114 0.000 0.911 21 Q CB 0.266 28.699 28.738 -0.508 0.000 1.227 21 Q HN 0.508 nan 8.270 nan 0.000 0.418 22 V N 6.048 126.012 119.914 0.083 0.000 2.409 22 V HA 0.101 4.162 4.120 -0.098 0.000 0.270 22 V C -0.123 175.996 176.094 0.042 0.000 1.019 22 V CA -0.154 62.205 62.300 0.099 0.000 1.066 22 V CB 0.240 32.129 31.823 0.110 0.000 1.021 22 V HN 0.552 nan 8.190 nan 0.000 0.476 23 V N 4.856 124.818 119.914 0.081 0.000 2.483 23 V HA 0.662 4.723 4.120 -0.098 0.000 0.295 23 V C 0.713 176.876 176.094 0.115 0.000 1.035 23 V CA -0.747 61.606 62.300 0.088 0.000 0.896 23 V CB 1.664 33.600 31.823 0.189 0.000 0.986 23 V HN 0.947 nan 8.190 nan 0.000 0.447 24 A N 3.312 126.178 122.820 0.075 0.000 2.520 24 A HA 0.336 4.597 4.320 -0.098 0.000 0.235 24 A C 0.817 178.430 177.584 0.048 0.000 1.065 24 A CA 0.421 52.494 52.037 0.060 0.000 0.764 24 A CB 0.151 19.179 19.000 0.047 0.000 1.002 24 A HN 1.013 nan 8.150 nan 0.000 0.502 25 S N 1.106 116.825 115.700 0.032 0.000 2.558 25 S HA 0.310 4.721 4.470 -0.098 0.000 0.288 25 S C 0.844 175.428 174.600 -0.026 0.000 1.318 25 S CA 0.033 58.228 58.200 -0.008 0.000 1.056 25 S CB -0.206 62.973 63.200 -0.035 0.000 0.853 25 S HN 1.609 nan 8.310 nan 0.000 0.505 26 S N 3.966 119.621 115.700 -0.074 0.000 2.655 26 S HA 0.427 4.838 4.470 -0.098 0.000 0.265 26 S C 0.444 175.013 174.600 -0.050 0.000 1.240 26 S CA -0.601 57.555 58.200 -0.074 0.000 0.986 26 S CB 0.950 64.061 63.200 -0.148 0.000 0.985 26 S HN 0.846 nan 8.310 nan 0.000 0.562 27 S N -0.519 115.163 115.700 -0.030 0.000 2.576 27 S HA 0.161 4.572 4.470 -0.098 0.000 0.272 27 S C 1.121 175.689 174.600 -0.054 0.000 1.352 27 S CA -0.637 57.557 58.200 -0.011 0.000 1.021 27 S CB -0.438 62.771 63.200 0.016 0.000 0.887 27 S HN 0.631 nan 8.310 nan 0.000 0.542 28 L N 2.715 123.941 121.223 0.005 0.000 2.376 28 L HA 0.095 4.376 4.340 -0.098 0.000 0.219 28 L C 0.197 177.138 176.870 0.118 0.000 1.133 28 L CA 0.221 55.076 54.840 0.026 0.000 0.816 28 L CB -0.131 41.934 42.059 0.011 0.000 0.933 28 L HN 0.379 nan 8.230 nan 0.000 0.449 29 V N 1.607 121.551 119.914 0.049 0.000 2.406 29 V HA 0.209 4.270 4.120 -0.098 0.000 0.272 29 V C -2.188 173.723 176.094 -0.305 0.000 1.043 29 V CA -1.413 60.883 62.300 -0.005 0.000 0.915 29 V CB 0.850 32.699 31.823 0.044 0.000 0.988 29 V HN -0.006 nan 8.190 nan 0.000 0.466 30 P HA 0.373 nan 4.420 nan 0.000 0.288 30 P C 0.022 177.204 177.300 -0.197 0.000 1.363 30 P CA -0.311 62.644 63.100 -0.242 0.000 0.837 30 P CB 0.431 32.076 31.700 -0.092 0.000 0.981 31 H N 1.247 120.318 119.070 0.001 0.000 2.423 31 H HA -0.010 4.487 4.556 -0.098 0.000 0.297 31 H C 1.057 176.382 175.328 -0.006 0.000 1.075 31 H CA 1.096 57.143 56.048 -0.001 0.000 1.342 31 H CB -0.021 29.737 29.762 -0.007 0.000 1.395 31 H HN 0.325 nan 8.280 nan 0.000 0.530 32 N N 0.384 119.130 118.700 0.077 0.000 2.270 32 N HA -0.007 4.674 4.740 -0.098 0.000 0.198 32 N C -0.664 174.860 175.510 0.024 0.000 1.117 32 N CA 0.338 53.413 53.050 0.042 0.000 0.845 32 N CB 0.662 39.163 38.487 0.023 0.000 0.980 32 N HN 0.303 nan 8.380 nan 0.000 0.486 33 D N -0.387 120.022 120.400 0.014 0.000 2.788 33 D HA 0.269 4.850 4.640 -0.098 0.000 0.247 33 D C -2.198 174.107 176.300 0.008 0.000 1.236 33 D CA -1.625 52.385 54.000 0.016 0.000 0.898 33 D CB 2.686 43.498 40.800 0.021 0.000 1.401 33 D HN -0.067 nan 8.370 nan 0.000 0.549 34 P HA 0.116 nan 4.420 nan 0.000 0.264 34 P C 0.699 177.997 177.300 -0.004 0.000 1.259 34 P CA 0.206 63.307 63.100 0.003 0.000 0.841 34 P CB 0.243 31.949 31.700 0.010 0.000 1.232 35 T N -2.496 112.061 114.554 0.006 0.000 3.278 35 T HA 0.361 4.652 4.350 -0.098 0.000 0.251 35 T C 0.152 174.858 174.700 0.011 0.000 1.039 35 T CA -0.291 61.814 62.100 0.008 0.000 0.935 35 T CB -0.461 68.418 68.868 0.019 0.000 1.034 35 T HN -0.124 nan 8.240 nan 0.000 0.575 36 L N 0.939 122.159 121.223 -0.005 0.000 2.410 36 L HA 0.564 4.845 4.340 -0.098 0.000 0.270 36 L C 0.508 177.328 176.870 -0.083 0.000 0.983 36 L CA -1.073 53.765 54.840 -0.004 0.000 0.822 36 L CB 1.921 43.995 42.059 0.024 0.000 1.285 36 L HN 0.035 nan 8.230 nan 0.000 0.409 37 L N 4.235 125.380 121.223 -0.131 0.000 1.993 37 L HA 0.287 4.568 4.340 -0.098 0.000 0.206 37 L C -0.334 176.150 176.870 -0.644 0.000 1.074 37 L CA 1.791 56.386 54.840 -0.409 0.000 0.746 37 L CB -0.080 41.752 42.059 -0.378 0.000 0.896 37 L HN 0.511 nan 8.230 nan 0.000 0.435 38 F N -1.802 118.176 119.950 0.045 0.000 2.613 38 F HA 0.361 4.830 4.527 -0.098 0.000 0.314 38 F C 0.363 176.155 175.800 -0.014 0.000 1.075 38 F CA -1.263 56.745 58.000 0.013 0.000 0.945 38 F CB 0.664 39.680 39.000 0.027 0.000 1.310 38 F HN -0.436 nan 8.300 nan 0.000 0.467 39 T N 2.161 116.806 114.554 0.150 0.000 2.831 39 T HA 0.052 4.343 4.350 -0.098 0.000 0.291 39 T C 0.846 175.533 174.700 -0.022 0.000 0.981 39 T CA 0.054 62.162 62.100 0.013 0.000 1.174 39 T CB -0.200 68.629 68.868 -0.065 0.000 0.929 39 T HN 0.742 nan 8.240 nan 0.000 0.532 40 N N 0.775 119.449 118.700 -0.043 0.000 2.143 40 N HA 0.384 5.065 4.740 -0.098 0.000 0.222 40 N C -0.099 175.343 175.510 -0.112 0.000 1.264 40 N CA -0.617 52.380 53.050 -0.087 0.000 0.897 40 N CB 0.945 39.371 38.487 -0.102 0.000 1.092 40 N HN 0.546 nan 8.380 nan 0.000 0.516 41 A N -0.298 122.472 122.820 -0.084 0.000 2.606 41 A HA 0.661 4.922 4.320 -0.098 0.000 0.293 41 A C 0.704 178.293 177.584 0.008 0.000 1.082 41 A CA -0.240 51.782 52.037 -0.025 0.000 0.685 41 A CB 0.937 19.959 19.000 0.037 0.000 1.284 41 A HN 0.015 nan 8.150 nan 0.000 0.408 42 G N 0.153 109.019 108.800 0.109 0.000 2.484 42 G HA2 -0.011 3.890 3.960 -0.098 0.000 0.218 42 G HA3 -0.011 3.890 3.960 -0.098 0.000 0.218 42 G C 1.224 176.258 174.900 0.223 0.000 1.130 42 G CA 1.360 46.601 45.100 0.235 0.000 0.784 42 G HN 1.007 nan 8.290 nan 0.000 0.543 43 M N -0.619 119.145 119.600 0.274 0.000 2.492 43 M HA 0.198 4.619 4.480 -0.098 0.000 0.262 43 M C 1.774 178.161 176.300 0.145 0.000 1.090 43 M CA 1.087 56.558 55.300 0.285 0.000 1.110 43 M CB -0.626 32.221 32.600 0.411 0.000 1.407 43 M HN 0.079 nan 8.290 nan 0.000 0.470 44 N N 1.860 120.589 118.700 0.049 0.000 2.060 44 N HA -0.268 4.413 4.740 -0.098 0.000 0.195 44 N C 1.835 177.277 175.510 -0.113 0.000 1.028 44 N CA 2.072 55.120 53.050 -0.003 0.000 0.861 44 N CB -0.369 38.099 38.487 -0.032 0.000 1.029 44 N HN 0.734 nan 8.380 nan 0.000 0.428 45 Q N -0.297 119.315 119.800 -0.314 0.000 2.436 45 Q HA -0.047 4.234 4.340 -0.098 0.000 0.209 45 Q C 0.272 175.901 176.000 -0.619 0.000 0.965 45 Q CA 1.020 56.522 55.803 -0.502 0.000 0.910 45 Q CB 0.031 28.352 28.738 -0.694 0.000 0.980 45 Q HN 0.353 nan 8.270 nan 0.000 0.491 46 F N 0.391 120.231 119.950 -0.183 0.000 2.668 46 F HA 0.383 4.850 4.527 -0.099 0.000 0.301 46 F C 1.552 177.199 175.800 -0.254 0.000 1.106 46 F CA -0.896 56.883 58.000 -0.369 0.000 1.289 46 F CB 0.400 39.053 39.000 -0.578 0.000 1.006 46 F HN -0.025 nan 8.300 nan 0.000 0.535 47 K N 0.689 121.144 120.400 0.092 0.000 2.032 47 K HA -0.179 4.082 4.320 -0.098 0.000 0.209 47 K C 1.305 177.992 176.600 0.144 0.000 1.048 47 K CA 2.030 58.445 56.287 0.213 0.000 0.927 47 K CB 0.037 32.623 32.500 0.142 0.000 0.712 47 K HN 0.053 nan 8.250 nan 0.000 0.441 48 D N -0.023 120.390 120.400 0.022 0.000 2.178 48 D HA -0.110 4.471 4.640 -0.098 0.000 0.202 48 D C 1.882 178.142 176.300 -0.067 0.000 0.974 48 D CA 0.852 54.847 54.000 -0.008 0.000 0.841 48 D CB -0.047 40.731 40.800 -0.038 0.000 0.953 48 D HN 0.042 nan 8.370 nan 0.000 0.478 49 V N 0.682 120.471 119.914 -0.209 0.000 2.407 49 V HA -0.223 3.838 4.120 -0.098 0.000 0.248 49 V C 2.087 178.047 176.094 -0.224 0.000 1.055 49 V CA 1.196 63.259 62.300 -0.395 0.000 1.049 49 V CB -0.603 30.671 31.823 -0.915 0.000 0.662 49 V HN 0.055 nan 8.190 nan 0.000 0.455 50 F N -0.316 119.642 119.950 0.014 0.000 2.293 50 F HA 0.011 4.478 4.527 -0.099 0.000 0.300 50 F C 2.050 177.901 175.800 0.085 0.000 1.086 50 F CA 0.815 58.880 58.000 0.108 0.000 1.375 50 F CB -0.618 38.489 39.000 0.177 0.000 1.045 50 F HN 0.064 nan 8.300 nan 0.000 0.516 51 L N -1.624 119.736 121.223 0.229 0.000 2.179 51 L HA 0.108 4.389 4.340 -0.098 0.000 0.208 51 L C 2.129 179.049 176.870 0.084 0.000 1.096 51 L CA 1.245 56.172 54.840 0.146 0.000 0.779 51 L CB -0.492 41.632 42.059 0.107 0.000 0.922 51 L HN 0.387 nan 8.230 nan 0.000 0.443 52 G N -0.931 107.895 108.800 0.043 0.000 3.435 52 G HA2 -0.239 3.662 3.960 -0.098 0.000 0.197 52 G HA3 -0.239 3.662 3.960 -0.098 0.000 0.197 52 G C 0.892 175.777 174.900 -0.026 0.000 1.497 52 G CA 0.067 45.173 45.100 0.009 0.000 1.043 52 G HN 0.104 nan 8.290 nan 0.000 0.466 53 L N 0.827 122.037 121.223 -0.021 0.000 2.042 53 L HA 0.174 4.455 4.340 -0.098 0.000 0.210 53 L C 0.239 177.070 176.870 -0.066 0.000 1.076 53 L CA 1.421 56.241 54.840 -0.034 0.000 0.749 53 L CB -0.594 41.453 42.059 -0.021 0.000 0.893 53 L HN 0.143 nan 8.230 nan 0.000 0.432 54 D N 0.480 120.819 120.400 -0.101 0.000 2.278 54 D HA 0.447 5.028 4.640 -0.098 0.000 0.245 54 D C -0.515 175.648 176.300 -0.229 0.000 1.052 54 D CA -0.179 53.729 54.000 -0.153 0.000 0.834 54 D CB 2.362 43.065 40.800 -0.161 0.000 1.194 54 D HN -0.006 nan 8.370 nan 0.000 0.481 55 K N 1.811 122.078 120.400 -0.222 0.000 2.426 55 K HA 0.600 4.861 4.320 -0.098 0.000 0.251 55 K C -0.745 175.676 176.600 -0.299 0.000 0.941 55 K CA -0.705 55.414 56.287 -0.280 0.000 0.808 55 K CB 2.089 34.481 32.500 -0.179 0.000 1.265 55 K HN 0.298 nan 8.250 nan 0.000 0.432 56 R N 1.286 121.537 120.500 -0.415 0.000 2.930 56 R HA 0.331 4.612 4.340 -0.098 0.000 0.257 56 R C 0.703 176.776 176.300 -0.379 0.000 1.107 56 R CA -1.026 54.781 56.100 -0.488 0.000 0.999 56 R CB 0.656 30.399 30.300 -0.929 0.000 1.209 56 R HN 0.643 nan 8.270 nan 0.000 0.486 57 N N 0.684 119.226 118.700 -0.263 0.000 2.205 57 N HA -0.120 4.561 4.740 -0.098 0.000 0.186 57 N C 0.302 175.825 175.510 0.022 0.000 1.015 57 N CA 1.501 54.518 53.050 -0.055 0.000 0.862 57 N CB -0.239 38.287 38.487 0.065 0.000 0.986 57 N HN 0.426 nan 8.380 nan 0.000 0.429 58 Y N -0.200 120.117 120.300 0.028 0.000 2.307 58 Y HA 0.380 4.871 4.550 -0.098 0.000 0.324 58 Y C 1.363 177.319 175.900 0.093 0.000 1.238 58 Y CA -0.993 57.134 58.100 0.045 0.000 1.280 58 Y CB 0.786 39.285 38.460 0.065 0.000 1.248 58 Y HN -0.149 nan 8.280 nan 0.000 0.508 59 S N 0.600 116.408 115.700 0.180 0.000 2.559 59 S HA 0.433 4.844 4.470 -0.098 0.000 0.226 59 S C 0.055 174.660 174.600 0.008 0.000 1.000 59 S CA -0.620 57.675 58.200 0.159 0.000 0.948 59 S CB -0.015 63.219 63.200 0.057 0.000 0.870 59 S HN 0.743 nan 8.310 nan 0.000 0.497 60 R N 0.458 120.961 120.500 0.004 0.000 2.673 60 R HA 0.836 5.117 4.340 -0.098 0.000 0.281 60 R C -1.268 175.013 176.300 -0.033 0.000 0.991 60 R CA -0.362 55.580 56.100 -0.264 0.000 0.896 60 R CB 2.238 32.177 30.300 -0.602 0.000 1.201 60 R HN 0.274 nan 8.270 nan 0.000 0.457 61 A N 0.804 123.648 122.820 0.040 0.000 2.556 61 A HA 0.787 5.048 4.320 -0.098 0.000 0.294 61 A C -1.194 176.601 177.584 0.353 0.000 1.091 61 A CA -0.673 51.480 52.037 0.193 0.000 0.704 61 A CB 2.505 21.578 19.000 0.121 0.000 1.300 61 A HN 0.496 nan 8.150 nan 0.000 0.406 62 T N 0.321 115.044 114.554 0.283 0.000 2.993 62 T HA 0.749 5.040 4.350 -0.098 0.000 0.312 62 T C -0.854 174.047 174.700 0.335 0.000 1.115 62 T CA 0.392 62.614 62.100 0.202 0.000 1.027 62 T CB 1.308 70.171 68.868 -0.008 0.000 1.116 62 T HN 1.874 nan 8.240 nan 0.000 0.464 63 T N 0.248 115.045 114.554 0.405 0.000 2.868 63 T HA 0.650 4.941 4.350 -0.098 0.000 0.306 63 T C -0.691 174.138 174.700 0.215 0.000 1.224 63 T CA -0.809 61.492 62.100 0.334 0.000 1.012 63 T CB 1.769 70.883 68.868 0.410 0.000 1.221 63 T HN 0.453 nan 8.240 nan 0.000 0.499 64 S N 1.282 117.045 115.700 0.107 0.000 2.457 64 S HA 0.335 4.746 4.470 -0.098 0.000 0.216 64 S C -0.365 174.187 174.600 -0.081 0.000 1.392 64 S CA -0.548 57.638 58.200 -0.025 0.000 1.102 64 S CB -0.159 63.023 63.200 -0.029 0.000 1.114 64 S HN 0.730 nan 8.310 nan 0.000 0.484 65 Q N 3.899 123.638 119.800 -0.101 0.000 2.296 65 Q HA 0.245 4.526 4.340 -0.098 0.000 0.262 65 Q C 0.228 176.009 176.000 -0.366 0.000 0.981 65 Q CA -0.305 55.399 55.803 -0.165 0.000 0.905 65 Q CB 0.525 29.203 28.738 -0.100 0.000 1.186 65 Q HN 0.725 nan 8.270 nan 0.000 0.399 66 R N 2.278 122.533 120.500 -0.408 0.000 2.389 66 R HA 0.502 4.784 4.340 -0.098 0.000 0.295 66 R C -0.889 174.985 176.300 -0.709 0.000 1.075 66 R CA -0.475 55.194 56.100 -0.717 0.000 1.005 66 R CB 0.243 30.159 30.300 -0.640 0.000 0.987 66 R HN 0.514 nan 8.270 nan 0.000 0.452 67 C N 2.396 121.084 119.300 -1.019 0.000 2.707 67 C HA 0.669 5.070 4.460 -0.098 0.000 0.313 67 C C -0.448 174.187 174.990 -0.592 0.000 1.209 67 C CA -0.751 57.808 59.018 -0.765 0.000 1.635 67 C CB 1.935 29.081 27.740 -0.991 0.000 2.206 67 C HN 0.686 nan 8.230 nan 0.000 0.485 68 V N 2.365 122.156 119.914 -0.205 0.000 2.525 68 V HA 0.484 4.545 4.120 -0.098 0.000 0.299 68 V C -0.505 175.695 176.094 0.177 0.000 1.034 68 V CA -0.559 61.743 62.300 0.004 0.000 0.863 68 V CB 1.677 33.456 31.823 -0.075 0.000 0.999 68 V HN 0.873 nan 8.190 nan 0.000 0.423 69 R N 3.763 124.426 120.500 0.272 0.000 2.278 69 R HA 0.713 4.994 4.340 -0.098 0.000 0.322 69 R C 0.298 176.747 176.300 0.249 0.000 1.058 69 R CA -0.190 56.084 56.100 0.290 0.000 0.991 69 R CB 1.303 31.792 30.300 0.315 0.000 1.140 69 R HN 0.769 nan 8.270 nan 0.000 0.518 70 A N 1.715 124.698 122.820 0.272 0.000 2.624 70 A HA 0.395 4.656 4.320 -0.098 0.000 0.287 70 A C 0.265 177.978 177.584 0.216 0.000 1.087 70 A CA -0.274 51.897 52.037 0.223 0.000 0.964 70 A CB 0.982 20.106 19.000 0.206 0.000 1.231 70 A HN 0.669 nan 8.150 nan 0.000 0.551 71 G N -0.580 108.349 108.800 0.215 0.000 2.662 71 G HA2 0.525 4.426 3.960 -0.098 0.000 0.302 71 G HA3 0.525 4.426 3.960 -0.098 0.000 0.302 71 G C 0.102 175.069 174.900 0.111 0.000 1.389 71 G CA 0.031 45.216 45.100 0.142 0.000 0.998 71 G HN 0.657 nan 8.290 nan 0.000 0.502 72 G N 0.176 109.006 108.800 0.050 0.000 2.432 72 G HA2 0.367 4.268 3.960 -0.098 0.000 0.239 72 G HA3 0.367 4.268 3.960 -0.098 0.000 0.239 72 G C 0.753 175.625 174.900 -0.047 0.000 1.291 72 G CA -0.406 44.687 45.100 -0.011 0.000 0.863 72 G HN 0.755 nan 8.290 nan 0.000 0.560 73 K N 0.211 120.476 120.400 -0.225 0.000 2.417 73 K HA 0.101 4.362 4.320 -0.098 0.000 0.196 73 K C -0.401 175.919 176.600 -0.467 0.000 1.023 73 K CA 0.129 56.201 56.287 -0.357 0.000 1.122 73 K CB 0.309 32.553 32.500 -0.427 0.000 0.850 73 K HN 0.622 nan 8.250 nan 0.000 0.521 74 H N 0.637 119.768 119.070 0.100 0.000 2.423 74 H HA 0.272 4.769 4.556 -0.098 0.000 0.237 74 H C -1.248 174.152 175.328 0.120 0.000 1.391 74 H CA -0.919 55.200 56.048 0.117 0.000 1.453 74 H CB 0.232 30.083 29.762 0.149 0.000 1.484 74 H HN 0.015 nan 8.280 nan 0.000 0.505 75 N N 1.343 120.137 118.700 0.157 0.000 2.417 75 N HA 0.138 4.820 4.740 -0.098 0.000 0.274 75 N C -0.465 175.096 175.510 0.085 0.000 0.987 75 N CA -0.528 52.601 53.050 0.131 0.000 0.912 75 N CB 1.415 39.956 38.487 0.091 0.000 1.177 75 N HN 0.388 nan 8.380 nan 0.000 0.490 76 D N 2.711 123.171 120.400 0.100 0.000 2.469 76 D HA 0.022 4.603 4.640 -0.098 0.000 0.213 76 D C 1.612 177.945 176.300 0.055 0.000 1.135 76 D CA -0.246 53.773 54.000 0.033 0.000 0.834 76 D CB 0.431 41.295 40.800 0.107 0.000 1.009 76 D HN 0.389 nan 8.370 nan 0.000 0.507 77 L N 1.580 122.855 121.223 0.087 0.000 1.997 77 L HA -0.196 4.085 4.340 -0.098 0.000 0.216 77 L C 1.661 178.599 176.870 0.114 0.000 1.074 77 L CA 2.006 56.910 54.840 0.108 0.000 0.763 77 L CB -0.260 41.848 42.059 0.082 0.000 0.890 77 L HN -0.101 nan 8.230 nan 0.000 0.434 78 E N -0.514 119.718 120.200 0.054 0.000 2.409 78 E HA -0.114 4.177 4.350 -0.098 0.000 0.198 78 E C 1.623 178.226 176.600 0.005 0.000 1.024 78 E CA 0.625 57.041 56.400 0.027 0.000 0.861 78 E CB -0.468 29.216 29.700 -0.027 0.000 0.788 78 E HN 0.606 nan 8.360 nan 0.000 0.521 79 N N 0.063 118.755 118.700 -0.014 0.000 2.373 79 N HA -0.008 4.673 4.740 -0.098 0.000 0.181 79 N C 0.119 175.734 175.510 0.174 0.000 1.082 79 N CA 0.070 53.108 53.050 -0.019 0.000 0.885 79 N CB 0.460 38.710 38.487 -0.396 0.000 0.977 79 N HN -0.078 nan 8.380 nan 0.000 0.462 80 V N 0.702 120.729 119.914 0.188 0.000 2.485 80 V HA 0.284 4.345 4.120 -0.098 0.000 0.287 80 V C 1.469 177.605 176.094 0.070 0.000 1.022 80 V CA 0.991 63.397 62.300 0.177 0.000 1.067 80 V CB 0.222 32.199 31.823 0.256 0.000 0.967 80 V HN 0.590 nan 8.190 nan 0.000 0.479 81 G N 4.281 113.002 108.800 -0.132 0.000 2.232 81 G HA2 -0.304 3.597 3.960 -0.098 0.000 0.226 81 G HA3 -0.304 3.597 3.960 -0.098 0.000 0.226 81 G C 0.374 174.996 174.900 -0.464 0.000 0.996 81 G CA 0.468 45.313 45.100 -0.425 0.000 0.626 81 G HN 0.698 nan 8.290 nan 0.000 0.509 82 Y N 1.615 121.868 120.300 -0.078 0.000 2.442 82 Y HA 0.390 4.881 4.550 -0.098 0.000 0.250 82 Y C 1.743 177.642 175.900 -0.003 0.000 1.113 82 Y CA 1.029 59.106 58.100 -0.038 0.000 1.273 82 Y CB 0.896 39.346 38.460 -0.016 0.000 1.138 82 Y HN 0.472 nan 8.280 nan 0.000 0.522 83 T N -3.753 110.893 114.554 0.153 0.000 2.901 83 T HA 0.678 4.969 4.350 -0.098 0.000 0.293 83 T C 0.833 175.579 174.700 0.077 0.000 1.084 83 T CA -0.431 61.753 62.100 0.139 0.000 1.008 83 T CB 1.875 70.914 68.868 0.284 0.000 1.170 83 T HN -0.044 nan 8.240 nan 0.000 0.509 84 A N 0.235 123.078 122.820 0.040 0.000 2.208 84 A HA 0.227 4.488 4.320 -0.098 0.000 0.209 84 A C 1.865 179.422 177.584 -0.046 0.000 1.161 84 A CA 0.219 52.281 52.037 0.041 0.000 0.782 84 A CB -0.415 18.598 19.000 0.021 0.000 0.816 84 A HN 0.814 nan 8.150 nan 0.000 0.477 85 R N -1.597 118.807 120.500 -0.160 0.000 2.531 85 R HA 0.195 4.476 4.340 -0.098 0.000 0.316 85 R C -0.703 175.298 176.300 -0.498 0.000 0.955 85 R CA -0.120 55.791 56.100 -0.314 0.000 1.120 85 R CB 0.322 30.435 30.300 -0.311 0.000 1.361 85 R HN 0.547 nan 8.270 nan 0.000 0.534 86 H N 0.566 119.474 119.070 -0.270 0.000 2.488 86 H HA 0.361 4.859 4.556 -0.096 0.000 0.322 86 H C -0.241 174.852 175.328 -0.392 0.000 1.078 86 H CA -0.383 55.523 56.048 -0.237 0.000 1.260 86 H CB 0.866 30.593 29.762 -0.058 0.000 1.425 86 H HN 0.016 nan 8.280 nan 0.000 0.471 87 H N 0.389 119.546 119.070 0.146 0.000 2.894 87 H HA 0.137 4.632 4.556 -0.101 0.000 0.368 87 H C 0.539 176.016 175.328 0.249 0.000 1.181 87 H CA -0.357 55.819 56.048 0.214 0.000 1.146 87 H CB 2.001 31.885 29.762 0.204 0.000 1.839 87 H HN 0.736 nan 8.280 nan 0.000 0.557 88 T N -1.064 113.743 114.554 0.421 0.000 2.815 88 T HA 0.000 4.291 4.350 -0.098 0.000 0.244 88 T C 0.831 175.764 174.700 0.388 0.000 1.040 88 T CA 0.156 62.448 62.100 0.320 0.000 1.176 88 T CB -0.221 68.758 68.868 0.185 0.000 0.880 88 T HN 0.312 nan 8.240 nan 0.000 0.414 89 F N 3.647 123.733 119.950 0.227 0.000 2.427 89 F HA 0.511 4.977 4.527 -0.100 0.000 0.352 89 F C -0.757 175.166 175.800 0.205 0.000 1.100 89 F CA -1.682 56.391 58.000 0.121 0.000 1.191 89 F CB 0.456 39.474 39.000 0.030 0.000 1.128 89 F HN 0.397 nan 8.300 nan 0.000 0.533 90 F N 2.656 122.221 119.950 -0.643 0.000 2.693 90 F HA 0.506 4.975 4.527 -0.098 0.000 0.309 90 F C -1.763 173.628 175.800 -0.682 0.000 1.129 90 F CA -1.200 56.499 58.000 -0.502 0.000 0.948 90 F CB 1.081 39.934 39.000 -0.246 0.000 1.315 90 F HN 0.361 nan 8.300 nan 0.000 0.447 91 E N 2.733 122.658 120.200 -0.458 0.000 2.197 91 E HA 0.384 4.675 4.350 -0.098 0.000 0.281 91 E C -1.244 175.158 176.600 -0.330 0.000 0.995 91 E CA -0.931 55.176 56.400 -0.489 0.000 0.808 91 E CB 2.035 31.556 29.700 -0.298 0.000 1.093 91 E HN 0.726 nan 8.360 nan 0.000 0.394 92 M N 5.126 124.487 119.600 -0.397 0.000 2.114 92 M HA 0.313 4.734 4.480 -0.098 0.000 0.332 92 M C -1.558 174.581 176.300 -0.268 0.000 1.014 92 M CA -0.618 54.536 55.300 -0.243 0.000 0.956 92 M CB 0.525 33.006 32.600 -0.198 0.000 1.551 92 M HN 0.392 nan 8.290 nan 0.000 0.427 93 L N 5.005 125.967 121.223 -0.435 0.000 2.281 93 L HA 0.715 4.996 4.340 -0.098 0.000 0.285 93 L C 0.453 177.005 176.870 -0.529 0.000 1.074 93 L CA -0.527 53.855 54.840 -0.764 0.000 0.817 93 L CB 0.757 41.839 42.059 -1.627 0.000 1.168 93 L HN 0.841 nan 8.230 nan 0.000 0.434 94 G N 2.621 111.336 108.800 -0.142 0.000 2.667 94 G HA2 0.466 4.367 3.960 -0.098 0.000 0.298 94 G HA3 0.466 4.367 3.960 -0.098 0.000 0.298 94 G C -1.485 173.146 174.900 -0.448 0.000 1.377 94 G CA -0.672 44.321 45.100 -0.178 0.000 0.964 94 G HN 0.607 nan 8.290 nan 0.000 0.493 95 N N -0.101 118.155 118.700 -0.740 0.000 2.314 95 N HA 0.700 5.381 4.740 -0.098 0.000 0.304 95 N C -1.599 173.372 175.510 -0.898 0.000 1.073 95 N CA -0.579 51.869 53.050 -1.003 0.000 0.822 95 N CB 2.287 39.827 38.487 -1.577 0.000 1.280 95 N HN 0.248 nan 8.380 nan 0.000 0.489 96 F N -0.099 119.805 119.950 -0.077 0.000 2.576 96 F HA 0.500 4.968 4.527 -0.097 0.000 0.313 96 F C 0.289 175.772 175.800 -0.529 0.000 1.078 96 F CA -0.942 56.920 58.000 -0.229 0.000 0.921 96 F CB 2.194 41.008 39.000 -0.309 0.000 1.232 96 F HN 0.546 nan 8.300 nan 0.000 0.459 97 S N 1.135 116.528 115.700 -0.512 0.000 2.532 97 S HA 0.694 5.105 4.470 -0.098 0.000 0.299 97 S C -1.238 173.051 174.600 -0.518 0.000 1.105 97 S CA -0.690 57.036 58.200 -0.789 0.000 1.018 97 S CB 0.411 62.860 63.200 -1.253 0.000 1.021 97 S HN 0.456 nan 8.310 nan 0.000 0.483 98 F N 2.284 122.189 119.950 -0.074 0.000 2.384 98 F HA 0.562 5.030 4.527 -0.098 0.000 0.359 98 F C 1.570 177.337 175.800 -0.055 0.000 1.143 98 F CA -0.334 57.629 58.000 -0.061 0.000 1.216 98 F CB 0.387 39.254 39.000 -0.222 0.000 1.512 98 F HN 1.070 nan 8.300 nan 0.000 0.573 99 G N 1.695 110.546 108.800 0.085 0.000 2.283 99 G HA2 -0.359 3.542 3.960 -0.098 0.000 0.280 99 G HA3 -0.359 3.542 3.960 -0.098 0.000 0.280 99 G C -0.002 174.882 174.900 -0.025 0.000 1.029 99 G CA 0.832 45.934 45.100 0.004 0.000 0.840 99 G HN 0.624 nan 8.290 nan 0.000 0.505 100 D N -0.908 119.449 120.400 -0.071 0.000 2.825 100 D HA 0.429 5.010 4.640 -0.098 0.000 0.249 100 D C 1.371 177.684 176.300 0.022 0.000 1.286 100 D CA 0.323 54.303 54.000 -0.032 0.000 1.168 100 D CB 0.094 40.868 40.800 -0.043 0.000 0.926 100 D HN 0.494 nan 8.370 nan 0.000 0.216 101 Y N -1.161 119.170 120.300 0.050 0.000 2.260 101 Y HA 0.465 4.956 4.550 -0.098 0.000 0.339 101 Y C -0.291 175.731 175.900 0.203 0.000 1.317 101 Y CA -0.999 57.157 58.100 0.092 0.000 1.514 101 Y CB 0.261 38.773 38.460 0.087 0.000 1.382 101 Y HN 0.185 nan 8.280 nan 0.000 0.581 102 F N -0.242 119.773 119.950 0.108 0.000 3.456 102 F HA 0.273 4.742 4.527 -0.097 0.000 0.329 102 F C 1.283 177.072 175.800 -0.018 0.000 1.251 102 F CA -1.245 56.747 58.000 -0.013 0.000 0.964 102 F CB 0.548 39.490 39.000 -0.097 0.000 1.587 102 F HN 0.552 nan 8.300 nan 0.000 0.522 103 K N 0.926 120.748 120.400 -0.964 0.000 2.074 103 K HA -0.197 4.064 4.320 -0.098 0.000 0.209 103 K C 1.685 177.994 176.600 -0.485 0.000 1.048 103 K CA 2.445 58.077 56.287 -1.091 0.000 0.926 103 K CB -0.821 30.771 32.500 -1.514 0.000 0.713 103 K HN 0.443 nan 8.250 nan 0.000 0.444 104 L N 2.092 123.108 121.223 -0.345 0.000 1.994 104 L HA -0.147 4.135 4.340 -0.098 0.000 0.208 104 L C 1.669 178.330 176.870 -0.349 0.000 1.071 104 L CA 2.013 56.667 54.840 -0.309 0.000 0.745 104 L CB -0.518 41.410 42.059 -0.217 0.000 0.892 104 L HN 0.179 nan 8.230 nan 0.000 0.431 105 D N -0.178 120.032 120.400 -0.317 0.000 2.149 105 D HA -0.094 4.487 4.640 -0.098 0.000 0.201 105 D C 2.214 178.107 176.300 -0.679 0.000 0.972 105 D CA 1.357 54.950 54.000 -0.678 0.000 0.835 105 D CB -0.171 40.217 40.800 -0.686 0.000 0.966 105 D HN 0.503 nan 8.370 nan 0.000 0.476 106 A N 1.485 124.243 122.820 -0.103 0.000 1.892 106 A HA -0.200 4.061 4.320 -0.098 0.000 0.218 106 A C 2.315 179.849 177.584 -0.084 0.000 1.188 106 A CA 1.866 53.977 52.037 0.123 0.000 0.631 106 A CB -0.883 18.291 19.000 0.291 0.000 0.822 106 A HN 0.442 nan 8.150 nan 0.000 0.447 107 I N -3.208 117.224 120.570 -0.231 0.000 2.876 107 I HA 0.021 4.132 4.170 -0.098 0.000 0.264 107 I C 1.988 177.881 176.117 -0.372 0.000 1.204 107 I CA 0.777 61.845 61.300 -0.386 0.000 1.485 107 I CB -0.145 37.377 38.000 -0.797 0.000 1.103 107 I HN 0.222 nan 8.210 nan 0.000 0.446 108 L N 0.371 121.367 121.223 -0.379 0.000 2.027 108 L HA -0.115 4.166 4.340 -0.098 0.000 0.206 108 L C 2.610 179.469 176.870 -0.019 0.000 1.074 108 L CA 1.725 56.414 54.840 -0.251 0.000 0.745 108 L CB -0.640 41.197 42.059 -0.370 0.000 0.898 108 L HN 0.243 nan 8.230 nan 0.000 0.433 109 F N -0.165 119.771 119.950 -0.022 0.000 2.126 109 F HA -0.292 4.176 4.527 -0.099 0.000 0.299 109 F C 2.672 178.492 175.800 0.034 0.000 1.096 109 F CA 0.577 58.621 58.000 0.074 0.000 1.255 109 F CB -0.405 38.671 39.000 0.126 0.000 0.997 109 F HN 0.102 nan 8.300 nan 0.000 0.479 110 A N 0.340 123.216 122.820 0.093 0.000 1.877 110 A HA -0.252 4.009 4.320 -0.098 0.000 0.216 110 A C 2.097 179.763 177.584 0.137 0.000 1.186 110 A CA 1.326 53.252 52.037 -0.185 0.000 0.620 110 A CB -1.443 17.184 19.000 -0.622 0.000 0.822 110 A HN 0.720 nan 8.150 nan 0.000 0.443 111 W N 0.134 121.431 121.300 -0.006 0.000 2.358 111 W HA -0.181 4.422 4.660 -0.094 0.000 0.303 111 W C 1.762 178.300 176.519 0.032 0.000 1.208 111 W CA 1.694 59.088 57.345 0.081 0.000 1.274 111 W CB -0.270 29.217 29.460 0.046 0.000 1.138 111 W HN 0.344 nan 8.180 nan 0.000 0.515 112 L N 1.261 122.526 121.223 0.071 0.000 1.989 112 L HA -0.234 4.047 4.340 -0.098 0.000 0.211 112 L C 2.561 179.224 176.870 -0.344 0.000 1.071 112 L CA 1.969 56.780 54.840 -0.048 0.000 0.749 112 L CB -1.562 40.598 42.059 0.168 0.000 0.890 112 L HN 0.067 nan 8.230 nan 0.000 0.431 113 L N -1.236 119.525 121.223 -0.770 0.000 2.083 113 L HA -0.166 4.115 4.340 -0.098 0.000 0.209 113 L C 2.243 178.684 176.870 -0.715 0.000 1.083 113 L CA 1.686 55.773 54.840 -1.255 0.000 0.752 113 L CB -0.444 40.657 42.059 -1.596 0.000 0.899 113 L HN 0.273 nan 8.230 nan 0.000 0.433 114 L N -1.760 119.278 121.223 -0.307 0.000 2.156 114 L HA -0.116 4.165 4.340 -0.098 0.000 0.208 114 L C 2.107 178.882 176.870 -0.158 0.000 1.095 114 L CA 1.529 56.321 54.840 -0.081 0.000 0.770 114 L CB -0.396 41.721 42.059 0.096 0.000 0.914 114 L HN 0.286 nan 8.230 nan 0.000 0.439 115 T N -2.310 112.037 114.554 -0.344 0.000 2.969 115 T HA 0.062 4.354 4.350 -0.098 0.000 0.250 115 T C 0.906 175.472 174.700 -0.224 0.000 1.021 115 T CA -0.004 61.840 62.100 -0.426 0.000 1.003 115 T CB 0.309 68.559 68.868 -1.031 0.000 1.040 115 T HN 0.103 nan 8.240 nan 0.000 0.492 116 S N 1.020 116.634 115.700 -0.143 0.000 2.585 116 S HA 0.094 4.505 4.470 -0.098 0.000 0.273 116 S C 1.285 175.843 174.600 -0.070 0.000 1.339 116 S CA -0.251 57.922 58.200 -0.046 0.000 1.028 116 S CB 0.624 63.891 63.200 0.113 0.000 0.906 116 S HN 0.326 nan 8.310 nan 0.000 0.528 117 E N 1.677 121.819 120.200 -0.097 0.000 2.285 117 E HA -0.076 4.215 4.350 -0.098 0.000 0.194 117 E C 1.493 177.959 176.600 -0.224 0.000 0.997 117 E CA 0.260 56.592 56.400 -0.113 0.000 0.845 117 E CB -0.028 29.621 29.700 -0.084 0.000 0.782 117 E HN 0.434 nan 8.360 nan 0.000 0.491 118 K N 0.390 120.541 120.400 -0.414 0.000 2.148 118 K HA -0.116 4.145 4.320 -0.098 0.000 0.204 118 K C 0.597 176.612 176.600 -0.975 0.000 1.050 118 K CA 0.966 56.765 56.287 -0.812 0.000 0.942 118 K CB -0.010 31.788 32.500 -1.170 0.000 0.724 118 K HN 0.064 nan 8.250 nan 0.000 0.446 119 W N -0.882 120.324 121.300 -0.156 0.000 2.429 119 W HA 0.314 4.913 4.660 -0.102 0.000 0.625 119 W C 0.379 176.878 176.519 -0.033 0.000 1.384 119 W CA -1.208 55.994 57.345 -0.237 0.000 0.963 119 W CB -0.728 28.352 29.460 -0.633 0.000 3.353 119 W HN -0.345 nan 8.180 nan 0.000 0.742 120 F N 1.009 121.026 119.950 0.111 0.000 2.539 120 F HA 0.365 4.835 4.527 -0.094 0.000 0.340 120 F C 0.717 176.494 175.800 -0.038 0.000 1.185 120 F CA -1.913 56.078 58.000 -0.014 0.000 1.333 120 F CB -0.712 38.248 39.000 -0.067 0.000 1.152 120 F HN 0.239 nan 8.300 nan 0.000 0.602 121 A N 3.471 126.372 122.820 0.135 0.000 3.214 121 A HA 0.523 4.784 4.320 -0.098 0.000 0.304 121 A C -0.423 177.185 177.584 0.040 0.000 0.969 121 A CA -0.506 51.558 52.037 0.045 0.000 0.986 121 A CB -0.740 18.277 19.000 0.028 0.000 1.073 121 A HN 0.658 nan 8.150 nan 0.000 0.487 122 L N 1.120 122.365 121.223 0.036 0.000 2.410 122 L HA 0.220 4.501 4.340 -0.098 0.000 0.273 122 L C -2.115 174.807 176.870 0.086 0.000 1.152 122 L CA -1.653 53.236 54.840 0.081 0.000 0.855 122 L CB 0.431 42.546 42.059 0.094 0.000 1.129 122 L HN 0.249 nan 8.230 nan 0.000 0.463 123 P HA -0.017 nan 4.420 nan 0.000 0.262 123 P C 0.143 177.517 177.300 0.123 0.000 1.182 123 P CA 0.138 63.314 63.100 0.128 0.000 0.761 123 P CB 0.463 32.255 31.700 0.152 0.000 0.795 124 K N 3.021 123.481 120.400 0.100 0.000 2.063 124 K HA -0.194 4.067 4.320 -0.098 0.000 0.208 124 K C 1.428 178.127 176.600 0.164 0.000 1.048 124 K CA 1.500 57.898 56.287 0.185 0.000 0.928 124 K CB -0.119 32.548 32.500 0.278 0.000 0.713 124 K HN 0.557 nan 8.250 nan 0.000 0.442 125 E N 0.644 120.904 120.200 0.100 0.000 2.267 125 E HA -0.178 4.113 4.350 -0.098 0.000 0.197 125 E C 2.040 178.653 176.600 0.022 0.000 0.998 125 E CA 0.832 57.256 56.400 0.041 0.000 0.830 125 E CB -0.012 29.712 29.700 0.041 0.000 0.751 125 E HN 0.228 nan 8.360 nan 0.000 0.491 126 R N 0.100 120.634 120.500 0.057 0.000 2.161 126 R HA 0.095 4.376 4.340 -0.098 0.000 0.213 126 R C 0.634 177.042 176.300 0.180 0.000 1.055 126 R CA 0.082 56.197 56.100 0.025 0.000 0.996 126 R CB 0.202 30.338 30.300 -0.273 0.000 0.901 126 R HN 0.022 nan 8.270 nan 0.000 0.456 127 L N 0.858 122.208 121.223 0.211 0.000 2.426 127 L HA 0.107 4.388 4.340 -0.098 0.000 0.271 127 L C -0.758 176.222 176.870 0.183 0.000 1.169 127 L CA 0.069 55.108 54.840 0.332 0.000 0.836 127 L CB 0.383 42.673 42.059 0.384 0.000 1.112 127 L HN -0.003 nan 8.230 nan 0.000 0.465 128 W N 2.234 123.634 121.300 0.166 0.000 2.819 128 W HA 0.629 5.226 4.660 -0.105 0.000 0.337 128 W C -0.918 175.627 176.519 0.042 0.000 1.077 128 W CA -0.514 56.875 57.345 0.073 0.000 1.226 128 W CB 1.677 31.175 29.460 0.064 0.000 1.419 128 W HN -0.014 nan 8.180 nan 0.000 0.502 129 V N 2.418 122.345 119.914 0.021 0.000 2.604 129 V HA 0.672 4.733 4.120 -0.098 0.000 0.305 129 V C -0.125 175.941 176.094 -0.046 0.000 1.043 129 V CA -0.916 61.259 62.300 -0.208 0.000 0.888 129 V CB 1.861 33.086 31.823 -0.995 0.000 0.995 129 V HN 0.530 nan 8.190 nan 0.000 0.429 130 T N 1.785 116.396 114.554 0.095 0.000 2.807 130 T HA 0.823 5.114 4.350 -0.098 0.000 0.279 130 T C -0.596 174.209 174.700 0.176 0.000 0.993 130 T CA -0.638 61.552 62.100 0.150 0.000 0.970 130 T CB 1.526 70.544 68.868 0.249 0.000 0.950 130 T HN 0.830 nan 8.240 nan 0.000 0.441 131 V N 1.147 121.187 119.914 0.209 0.000 3.046 131 V HA 0.682 4.743 4.120 -0.098 0.000 0.316 131 V C -0.633 175.667 176.094 0.343 0.000 1.104 131 V CA -1.617 60.870 62.300 0.312 0.000 1.006 131 V CB 1.373 33.411 31.823 0.359 0.000 1.058 131 V HN 0.897 nan 8.190 nan 0.000 0.440 132 Y N 1.089 121.560 120.300 0.286 0.000 2.425 132 Y HA 0.231 4.722 4.550 -0.099 0.000 0.331 132 Y C 1.669 177.713 175.900 0.239 0.000 1.157 132 Y CA 0.475 58.749 58.100 0.289 0.000 1.372 132 Y CB 1.011 39.706 38.460 0.392 0.000 1.253 132 Y HN 0.932 nan 8.280 nan 0.000 0.536 133 E N 1.545 121.557 120.200 -0.314 0.000 2.130 133 E HA -0.236 4.055 4.350 -0.098 0.000 0.196 133 E C 1.868 178.445 176.600 -0.038 0.000 0.998 133 E CA 1.810 58.099 56.400 -0.185 0.000 0.806 133 E CB 0.038 29.567 29.700 -0.284 0.000 0.738 133 E HN 0.725 nan 8.360 nan 0.000 0.459 134 S N 0.359 116.097 115.700 0.063 0.000 2.528 134 S HA -0.074 4.337 4.470 -0.098 0.000 0.219 134 S C 0.813 175.605 174.600 0.320 0.000 0.985 134 S CA 0.118 58.460 58.200 0.237 0.000 0.914 134 S CB 0.280 63.700 63.200 0.366 0.000 0.776 134 S HN -0.029 nan 8.310 nan 0.000 0.526 135 D N 1.956 122.599 120.400 0.405 0.000 2.619 135 D HA 0.265 4.846 4.640 -0.098 0.000 0.224 135 D C -0.206 176.250 176.300 0.259 0.000 1.133 135 D CA -0.174 54.037 54.000 0.352 0.000 1.017 135 D CB 0.149 41.205 40.800 0.428 0.000 1.077 135 D HN 0.148 nan 8.370 nan 0.000 0.503 136 D N 0.974 121.482 120.400 0.180 0.000 2.347 136 D HA -0.066 4.515 4.640 -0.098 0.000 0.215 136 D C 1.584 177.978 176.300 0.156 0.000 0.976 136 D CA 0.564 54.649 54.000 0.143 0.000 0.884 136 D CB 0.426 41.254 40.800 0.047 0.000 0.915 136 D HN 0.539 nan 8.370 nan 0.000 0.526 137 E N 0.516 120.782 120.200 0.111 0.000 2.047 137 E HA -0.141 4.150 4.350 -0.098 0.000 0.191 137 E C 2.079 178.678 176.600 -0.002 0.000 0.987 137 E CA 1.074 57.493 56.400 0.032 0.000 0.799 137 E CB -0.097 29.590 29.700 -0.021 0.000 0.752 137 E HN 0.229 nan 8.360 nan 0.000 0.449 138 A N 1.028 123.865 122.820 0.029 0.000 1.898 138 A HA -0.189 4.072 4.320 -0.098 0.000 0.216 138 A C 2.057 179.794 177.584 0.257 0.000 1.181 138 A CA 1.187 53.263 52.037 0.065 0.000 0.620 138 A CB -0.827 18.298 19.000 0.207 0.000 0.819 138 A HN 0.384 nan 8.150 nan 0.000 0.442 139 Y N 0.410 120.821 120.300 0.185 0.000 2.165 139 Y HA -0.244 4.247 4.550 -0.097 0.000 0.286 139 Y C 2.403 178.385 175.900 0.137 0.000 1.155 139 Y CA 2.341 60.558 58.100 0.194 0.000 1.164 139 Y CB -0.100 38.435 38.460 0.125 0.000 0.978 139 Y HN 0.502 nan 8.280 nan 0.000 0.513 140 E N 0.072 120.452 120.200 0.300 0.000 2.047 140 E HA -0.202 4.089 4.350 -0.098 0.000 0.191 140 E C 2.118 178.722 176.600 0.008 0.000 0.987 140 E CA 1.550 58.047 56.400 0.163 0.000 0.799 140 E CB -0.150 29.613 29.700 0.105 0.000 0.752 140 E HN 0.502 nan 8.360 nan 0.000 0.449 141 I N -0.052 120.472 120.570 -0.076 0.000 2.151 141 I HA -0.296 3.815 4.170 -0.098 0.000 0.243 141 I C 2.124 178.084 176.117 -0.262 0.000 1.080 141 I CA 1.464 62.626 61.300 -0.230 0.000 1.339 141 I CB -1.376 36.388 38.000 -0.393 0.000 1.039 141 I HN 0.369 nan 8.210 nan 0.000 0.409 142 W N 1.295 122.471 121.300 -0.207 0.000 2.342 142 W HA -0.193 4.408 4.660 -0.098 0.000 0.297 142 W C 2.721 179.044 176.519 -0.326 0.000 1.213 142 W CA 1.196 58.365 57.345 -0.294 0.000 1.251 142 W CB -0.238 29.045 29.460 -0.295 0.000 1.136 142 W HN 0.227 nan 8.180 nan 0.000 0.526 143 E N 0.346 120.512 120.200 -0.058 0.000 2.112 143 E HA -0.205 4.086 4.350 -0.098 0.000 0.190 143 E C 2.078 178.632 176.600 -0.078 0.000 0.979 143 E CA 1.147 57.489 56.400 -0.098 0.000 0.814 143 E CB 0.017 29.680 29.700 -0.062 0.000 0.762 143 E HN 0.218 nan 8.360 nan 0.000 0.460 144 K N -0.467 119.887 120.400 -0.077 0.000 2.286 144 K HA 0.003 4.264 4.320 -0.098 0.000 0.203 144 K C 1.895 178.435 176.600 -0.101 0.000 1.078 144 K CA 0.149 56.395 56.287 -0.068 0.000 0.957 144 K CB 0.344 32.819 32.500 -0.041 0.000 1.018 144 K HN -0.110 nan 8.250 nan 0.000 0.484 145 E N 0.695 120.808 120.200 -0.145 0.000 2.060 145 E HA -0.063 4.228 4.350 -0.098 0.000 0.189 145 E C 2.076 178.549 176.600 -0.212 0.000 0.974 145 E CA 0.997 57.294 56.400 -0.170 0.000 0.808 145 E CB 0.112 29.686 29.700 -0.210 0.000 0.768 145 E HN 0.098 nan 8.360 nan 0.000 0.453 146 V N 0.156 119.886 119.914 -0.307 0.000 2.591 146 V HA 0.004 4.065 4.120 -0.098 0.000 0.249 146 V C 1.121 176.998 176.094 -0.362 0.000 1.053 146 V CA 1.034 63.061 62.300 -0.454 0.000 1.068 146 V CB -0.636 30.791 31.823 -0.660 0.000 0.689 146 V HN 0.487 nan 8.190 nan 0.000 0.462 147 G N 1.022 109.682 108.800 -0.232 0.000 2.531 147 G HA2 -0.226 3.675 3.960 -0.098 0.000 0.283 147 G HA3 -0.226 3.675 3.960 -0.098 0.000 0.283 147 G C -0.540 174.254 174.900 -0.177 0.000 1.068 147 G CA 0.247 45.255 45.100 -0.154 0.000 1.273 147 G HN 0.389 nan 8.290 nan 0.000 0.532 148 I N 2.154 122.616 120.570 -0.180 0.000 2.608 148 I HA 0.453 4.564 4.170 -0.098 0.000 0.295 148 I C -1.830 174.189 176.117 -0.164 0.000 1.049 148 I CA -2.856 58.328 61.300 -0.194 0.000 1.063 148 I CB 2.531 40.387 38.000 -0.241 0.000 1.248 148 I HN 0.097 nan 8.210 nan 0.000 0.424 149 P HA 0.103 nan 4.420 nan 0.000 0.265 149 P C -0.079 177.123 177.300 -0.164 0.000 1.193 149 P CA 0.021 63.036 63.100 -0.141 0.000 0.765 149 P CB 0.501 32.108 31.700 -0.155 0.000 0.823 150 R N 2.391 122.833 120.500 -0.097 0.000 2.105 150 R HA -0.147 4.134 4.340 -0.098 0.000 0.239 150 R C 1.901 178.173 176.300 -0.047 0.000 1.135 150 R CA 1.285 57.357 56.100 -0.047 0.000 0.967 150 R CB -0.346 29.994 30.300 0.067 0.000 0.861 150 R HN 0.579 nan 8.270 nan 0.000 0.442 151 E N 1.057 121.214 120.200 -0.071 0.000 2.209 151 E HA -0.212 4.079 4.350 -0.098 0.000 0.196 151 E C 1.256 177.777 176.600 -0.132 0.000 0.993 151 E CA 1.179 57.540 56.400 -0.065 0.000 0.819 151 E CB -0.208 29.449 29.700 -0.071 0.000 0.745 151 E HN 0.325 nan 8.360 nan 0.000 0.477 152 R N 0.331 120.662 120.500 -0.282 0.000 2.507 152 R HA 0.338 4.620 4.340 -0.098 0.000 0.298 152 R C 0.076 176.241 176.300 -0.224 0.000 0.999 152 R CA -0.163 55.669 56.100 -0.448 0.000 1.082 152 R CB 0.382 30.110 30.300 -0.954 0.000 1.246 152 R HN 0.086 nan 8.270 nan 0.000 0.553 153 I N 1.624 122.095 120.570 -0.164 0.000 2.312 153 I HA 0.296 4.407 4.170 -0.098 0.000 0.290 153 I C -0.227 175.912 176.117 0.036 0.000 1.008 153 I CA -0.510 60.696 61.300 -0.158 0.000 1.226 153 I CB 1.481 39.245 38.000 -0.393 0.000 1.371 153 I HN -0.111 nan 8.210 nan 0.000 0.468 154 I N 6.414 127.024 120.570 0.065 0.000 2.330 154 I HA 0.363 4.474 4.170 -0.098 0.000 0.289 154 I C 0.335 176.522 176.117 0.117 0.000 1.001 154 I CA -0.630 60.726 61.300 0.094 0.000 1.193 154 I CB 0.910 38.939 38.000 0.048 0.000 1.345 154 I HN 0.499 nan 8.210 nan 0.000 0.461 155 R N 6.465 127.039 120.500 0.123 0.000 2.442 155 R HA 0.507 4.788 4.340 -0.098 0.000 0.291 155 R C -0.573 175.753 176.300 0.044 0.000 1.069 155 R CA -0.075 56.084 56.100 0.098 0.000 1.022 155 R CB 0.825 31.154 30.300 0.049 0.000 0.976 155 R HN 0.483 nan 8.270 nan 0.000 0.443 156 I N 0.499 121.094 120.570 0.041 0.000 2.934 156 I HA 0.588 4.699 4.170 -0.098 0.000 0.306 156 I C 0.511 176.566 176.117 -0.103 0.000 1.110 156 I CA -0.713 60.601 61.300 0.024 0.000 1.019 156 I CB 2.059 40.132 38.000 0.122 0.000 1.227 156 I HN 0.749 nan 8.210 nan 0.000 0.434 157 G N 1.480 110.240 108.800 -0.067 0.000 2.788 157 G HA2 0.448 4.349 3.960 -0.098 0.000 0.293 157 G HA3 0.448 4.349 3.960 -0.098 0.000 0.293 157 G C -1.542 173.368 174.900 0.016 0.000 1.392 157 G CA -0.506 44.478 45.100 -0.193 0.000 0.810 157 G HN 0.517 nan 8.290 nan 0.000 0.508 158 D N 1.264 121.674 120.400 0.016 0.000 2.745 158 D HA 0.059 4.640 4.640 -0.098 0.000 0.229 158 D C 1.598 177.929 176.300 0.051 0.000 1.088 158 D CA -0.222 53.829 54.000 0.084 0.000 1.054 158 D CB 0.231 41.030 40.800 -0.002 0.000 1.132 158 D HN 0.407 nan 8.370 nan 0.000 0.464 159 N N 1.168 119.912 118.700 0.072 0.000 2.244 159 N HA -0.221 4.460 4.740 -0.098 0.000 0.183 159 N C 1.088 176.632 175.510 0.056 0.000 1.016 159 N CA 0.770 53.850 53.050 0.050 0.000 0.866 159 N CB -0.053 38.467 38.487 0.055 0.000 0.980 159 N HN 0.223 nan 8.380 nan 0.000 0.430 160 K N -0.127 120.323 120.400 0.084 0.000 2.360 160 K HA 0.003 4.264 4.320 -0.098 0.000 0.201 160 K C 1.120 177.751 176.600 0.051 0.000 1.046 160 K CA 0.873 57.206 56.287 0.077 0.000 0.945 160 K CB -0.022 32.540 32.500 0.104 0.000 0.750 160 K HN 0.540 nan 8.250 nan 0.000 0.464 161 G N 0.111 108.934 108.800 0.038 0.000 2.906 161 G HA2 -0.150 3.751 3.960 -0.098 0.000 0.196 161 G HA3 -0.150 3.751 3.960 -0.098 0.000 0.196 161 G C -0.110 174.789 174.900 -0.003 0.000 2.215 161 G CA -0.271 44.838 45.100 0.014 0.000 1.518 161 G HN 0.398 nan 8.290 nan 0.000 0.495 162 A N 2.801 125.623 122.820 0.003 0.000 2.366 162 A HA 0.632 4.893 4.320 -0.098 0.000 0.250 162 A C -1.858 175.697 177.584 -0.048 0.000 1.099 162 A CA -0.014 52.013 52.037 -0.017 0.000 0.794 162 A CB -0.364 18.637 19.000 0.002 0.000 1.056 162 A HN 0.449 nan 8.150 nan 0.000 0.499 163 P HA 0.134 nan 4.420 nan 0.000 0.267 163 P C -0.852 176.317 177.300 -0.218 0.000 1.205 163 P CA 0.676 63.609 63.100 -0.278 0.000 0.765 163 P CB -0.033 31.461 31.700 -0.344 0.000 0.828 164 Y N -0.187 120.039 120.300 -0.123 0.000 4.841 164 Y HA -0.245 4.246 4.550 -0.099 0.000 0.242 164 Y C 0.850 176.740 175.900 -0.016 0.000 1.002 164 Y CA 0.670 58.604 58.100 -0.276 0.000 2.011 164 Y CB -2.713 35.474 38.460 -0.455 0.000 1.554 164 Y HN 0.551 nan 8.280 nan 0.000 0.618 165 A N 0.679 123.584 122.820 0.143 0.000 2.621 165 A HA 0.690 4.952 4.320 -0.098 0.000 0.329 165 A C 0.424 178.126 177.584 0.197 0.000 1.458 165 A CA 0.547 52.682 52.037 0.162 0.000 1.052 165 A CB 0.637 19.697 19.000 0.099 0.000 1.142 165 A HN 0.358 nan 8.150 nan 0.000 0.523 166 S N 0.801 116.672 115.700 0.286 0.000 2.579 166 S HA 0.417 4.828 4.470 -0.098 0.000 0.272 166 S C -0.121 174.668 174.600 0.316 0.000 1.141 166 S CA -0.536 57.856 58.200 0.320 0.000 0.843 166 S CB 1.259 64.756 63.200 0.495 0.000 1.122 166 S HN 0.502 nan 8.310 nan 0.000 0.468 167 D N 1.638 122.205 120.400 0.279 0.000 2.269 167 D HA 0.039 4.620 4.640 -0.098 0.000 0.208 167 D C 0.314 176.796 176.300 0.303 0.000 0.963 167 D CA 1.110 55.269 54.000 0.264 0.000 0.864 167 D CB -0.155 40.784 40.800 0.232 0.000 0.936 167 D HN 0.491 nan 8.370 nan 0.000 0.505 168 N N -0.809 118.126 118.700 0.391 0.000 2.328 168 N HA 0.178 4.859 4.740 -0.098 0.000 0.247 168 N C -1.065 174.741 175.510 0.494 0.000 1.165 168 N CA -0.193 53.118 53.050 0.434 0.000 0.873 168 N CB 0.503 39.280 38.487 0.483 0.000 1.125 168 N HN -0.033 nan 8.380 nan 0.000 0.513 169 F N -0.117 119.982 119.950 0.249 0.000 2.581 169 F HA 0.514 4.982 4.527 -0.098 0.000 0.311 169 F C -1.589 174.349 175.800 0.230 0.000 1.113 169 F CA -1.145 56.923 58.000 0.113 0.000 0.935 169 F CB 1.430 40.403 39.000 -0.046 0.000 1.232 169 F HN -0.016 nan 8.300 nan 0.000 0.445 170 W N 5.902 127.027 121.300 -0.292 0.000 2.936 170 W HA 0.712 5.314 4.660 -0.097 0.000 0.338 170 W C -1.951 174.510 176.519 -0.096 0.000 1.121 170 W CA -0.432 56.855 57.345 -0.098 0.000 1.209 170 W CB 1.852 31.235 29.460 -0.127 0.000 1.420 170 W HN 0.529 nan 8.180 nan 0.000 0.516 171 Q N 5.146 124.341 119.800 -1.009 0.000 2.289 171 Q HA 0.277 4.558 4.340 -0.098 0.000 0.270 171 Q C 0.587 175.706 176.000 -1.468 0.000 1.038 171 Q CA -0.706 54.499 55.803 -0.997 0.000 0.812 171 Q CB 2.701 31.239 28.738 -0.332 0.000 1.300 171 Q HN 0.771 nan 8.270 nan 0.000 0.427 172 M N 0.633 119.457 119.600 -1.293 0.000 2.254 172 M HA 0.123 4.544 4.480 -0.098 0.000 0.265 172 M C 0.383 176.515 176.300 -0.281 0.000 1.066 172 M CA 1.760 56.658 55.300 -0.669 0.000 1.123 172 M CB 0.354 32.819 32.600 -0.224 0.000 1.388 172 M HN 0.792 nan 8.290 nan 0.000 0.425 173 G N -1.735 106.921 108.800 -0.241 0.000 2.772 173 G HA2 0.139 4.040 3.960 -0.098 0.000 0.284 173 G HA3 0.139 4.040 3.960 -0.098 0.000 0.284 173 G C -0.889 173.953 174.900 -0.097 0.000 1.217 173 G CA -0.228 44.802 45.100 -0.117 0.000 0.831 173 G HN 0.047 nan 8.290 nan 0.000 0.523 174 D N 0.158 120.529 120.400 -0.049 0.000 2.183 174 D HA 0.116 4.697 4.640 -0.098 0.000 0.203 174 D C 1.406 177.690 176.300 -0.027 0.000 0.969 174 D CA 1.822 55.804 54.000 -0.029 0.000 0.842 174 D CB 0.177 40.970 40.800 -0.012 0.000 0.957 174 D HN 0.547 nan 8.370 nan 0.000 0.484 175 T N -3.036 111.502 114.554 -0.027 0.000 2.906 175 T HA 0.661 4.952 4.350 -0.098 0.000 0.295 175 T C 0.352 175.042 174.700 -0.017 0.000 1.061 175 T CA -0.231 61.860 62.100 -0.015 0.000 1.000 175 T CB 2.852 71.720 68.868 -0.000 0.000 1.103 175 T HN 0.216 nan 8.240 nan 0.000 0.486 176 G N 1.618 110.418 108.800 0.001 0.000 2.362 176 G HA2 0.173 4.074 3.960 -0.098 0.000 0.517 176 G HA3 0.173 4.074 3.960 -0.098 0.000 0.517 176 G C -3.169 171.748 174.900 0.028 0.000 1.256 176 G CA -0.894 44.218 45.100 0.020 0.000 1.027 176 G HN 0.825 nan 8.290 nan 0.000 0.491 177 P HA 0.389 nan 4.420 nan 0.000 0.263 177 P C 0.514 177.856 177.300 0.070 0.000 1.175 177 P CA 0.943 64.115 63.100 0.120 0.000 0.761 177 P CB 0.100 31.927 31.700 0.211 0.000 0.794 178 C N 1.229 120.607 119.300 0.130 0.000 3.295 178 C HA 0.986 5.387 4.460 -0.098 0.000 0.341 178 C C -0.095 174.930 174.990 0.058 0.000 1.418 178 C CA -0.000 59.057 59.018 0.066 0.000 1.240 178 C CB 1.284 29.038 27.740 0.025 0.000 1.562 178 C HN 0.864 nan 8.230 nan 0.000 0.457 179 G N -0.026 108.546 108.800 -0.379 0.000 2.337 179 G HA2 0.584 4.485 3.960 -0.098 0.000 0.298 179 G HA3 0.584 4.485 3.960 -0.098 0.000 0.298 179 G C -3.653 170.628 174.900 -1.032 0.000 1.335 179 G CA -0.242 44.565 45.100 -0.488 0.000 0.875 179 G HN 0.758 nan 8.290 nan 0.000 0.579 180 P HA 0.529 nan 4.420 nan 0.000 0.274 180 P C -0.279 177.058 177.300 0.063 0.000 1.246 180 P CA -0.235 62.807 63.100 -0.097 0.000 0.795 180 P CB 1.200 33.071 31.700 0.285 0.000 1.006 181 C N -0.403 118.979 119.300 0.137 0.000 2.779 181 C HA 0.751 5.153 4.460 -0.098 0.000 0.314 181 C C 0.252 175.336 174.990 0.156 0.000 1.231 181 C CA -0.212 58.819 59.018 0.022 0.000 1.652 181 C CB 1.791 29.539 27.740 0.012 0.000 2.198 181 C HN 0.597 nan 8.230 nan 0.000 0.483 182 T N 1.326 115.905 114.554 0.042 0.000 2.881 182 T HA 0.473 4.764 4.350 -0.098 0.000 0.290 182 T C -1.179 173.579 174.700 0.098 0.000 1.000 182 T CA -0.205 62.003 62.100 0.180 0.000 0.978 182 T CB 0.704 69.809 68.868 0.396 0.000 0.997 182 T HN 0.769 nan 8.240 nan 0.000 0.443 183 E N 3.717 123.996 120.200 0.132 0.000 2.207 183 E HA 0.525 4.817 4.350 -0.098 0.000 0.270 183 E C -0.645 175.986 176.600 0.052 0.000 0.927 183 E CA -0.906 55.524 56.400 0.049 0.000 0.799 183 E CB 2.390 32.086 29.700 -0.007 0.000 1.172 183 E HN 0.570 nan 8.360 nan 0.000 0.404 184 I N 2.596 123.160 120.570 -0.010 0.000 2.378 184 I HA 0.326 4.437 4.170 -0.098 0.000 0.291 184 I C -0.819 175.291 176.117 -0.011 0.000 0.992 184 I CA -0.576 60.786 61.300 0.102 0.000 1.154 184 I CB 0.616 38.765 38.000 0.249 0.000 1.315 184 I HN 0.314 nan 8.210 nan 0.000 0.448 185 F N 5.277 125.366 119.950 0.232 0.000 2.458 185 F HA 0.441 4.907 4.527 -0.102 0.000 0.330 185 F C -0.371 175.637 175.800 0.345 0.000 1.082 185 F CA -0.735 57.415 58.000 0.250 0.000 0.995 185 F CB 1.320 40.438 39.000 0.196 0.000 1.170 185 F HN 0.283 nan 8.300 nan 0.000 0.478 186 Y N 1.889 122.364 120.300 0.292 0.000 2.364 186 Y HA 0.345 4.823 4.550 -0.118 0.000 0.340 186 Y C -0.668 175.266 175.900 0.057 0.000 0.975 186 Y CA -1.124 57.081 58.100 0.175 0.000 1.089 186 Y CB 1.056 39.527 38.460 0.018 0.000 1.192 186 Y HN 0.548 nan 8.280 nan 0.000 0.454 187 D N 4.812 124.913 120.400 -0.499 0.000 2.295 187 D HA 0.120 4.701 4.640 -0.098 0.000 0.248 187 D C 0.001 175.917 176.300 -0.640 0.000 1.154 187 D CA 0.185 53.847 54.000 -0.563 0.000 0.857 187 D CB 0.379 41.010 40.800 -0.282 0.000 1.117 187 D HN 0.645 nan 8.370 nan 0.000 0.468 207 Y N 4.209 124.510 120.300 0.002 0.000 2.486 207 Y HA 0.377 4.875 4.550 -0.087 0.000 0.348 207 Y C 0.494 176.490 175.900 0.160 0.000 1.000 207 Y CA -0.448 57.641 58.100 -0.018 0.000 1.253 207 Y CB 0.687 39.011 38.460 -0.228 0.000 1.140 207 Y HN 0.215 nan 8.280 nan 0.000 0.526 208 I N -0.148 120.596 120.570 0.290 0.000 2.493 208 I HA 0.532 4.644 4.170 -0.098 0.000 0.298 208 I C -0.443 175.777 176.117 0.170 0.000 0.998 208 I CA -1.083 60.359 61.300 0.237 0.000 1.137 208 I CB 1.665 39.727 38.000 0.104 0.000 1.310 208 I HN 0.448 nan 8.210 nan 0.000 0.445 209 E N 5.061 125.255 120.200 -0.009 0.000 2.417 209 E HA 0.071 4.362 4.350 -0.098 0.000 0.261 209 E C 0.120 176.609 176.600 -0.185 0.000 1.000 209 E CA -0.091 56.076 56.400 -0.389 0.000 0.919 209 E CB 1.387 30.897 29.700 -0.316 0.000 0.955 209 E HN 0.581 nan 8.360 nan 0.000 0.455 210 I N 1.877 122.353 120.570 -0.156 0.000 3.718 210 I HA 0.102 4.213 4.170 -0.098 0.000 0.297 210 I C -0.034 176.106 176.117 0.038 0.000 1.220 210 I CA 0.540 61.819 61.300 -0.035 0.000 1.381 210 I CB 0.273 38.312 38.000 0.065 0.000 1.238 210 I HN 0.584 nan 8.210 nan 0.000 0.448 211 W N 2.330 123.572 121.300 -0.097 0.000 3.132 211 W HA 0.331 4.932 4.660 -0.098 0.000 0.337 211 W C -0.989 175.488 176.519 -0.069 0.000 1.082 211 W CA -1.441 55.883 57.345 -0.036 0.000 1.242 211 W CB 1.108 30.611 29.460 0.070 0.000 1.354 211 W HN -0.079 nan 8.180 nan 0.000 0.461 212 N N 4.268 123.156 118.700 0.315 0.000 2.421 212 N HA 0.599 5.280 4.740 -0.098 0.000 0.285 212 N C -1.172 174.338 175.510 -0.001 0.000 1.027 212 N CA -0.108 52.996 53.050 0.091 0.000 0.918 212 N CB 0.949 39.459 38.487 0.037 0.000 1.152 212 N HN 0.298 nan 8.380 nan 0.000 0.485 213 I N 3.461 123.917 120.570 -0.191 0.000 2.420 213 I HA 0.255 4.366 4.170 -0.098 0.000 0.282 213 I C -0.676 175.022 176.117 -0.698 0.000 1.019 213 I CA -1.016 60.022 61.300 -0.438 0.000 1.130 213 I CB 1.629 39.312 38.000 -0.529 0.000 1.262 213 I HN 0.189 nan 8.210 nan 0.000 0.454 214 V N 6.745 126.287 119.914 -0.619 0.000 2.432 214 V HA 0.275 4.336 4.120 -0.098 0.000 0.271 214 V C -0.319 175.394 176.094 -0.635 0.000 1.046 214 V CA -0.165 61.757 62.300 -0.630 0.000 0.945 214 V CB 0.762 32.131 31.823 -0.757 0.000 0.992 214 V HN 0.316 nan 8.190 nan 0.000 0.471 215 F N 4.988 124.823 119.950 -0.192 0.000 2.404 215 F HA 0.521 4.989 4.527 -0.098 0.000 0.354 215 F C 0.560 176.337 175.800 -0.038 0.000 1.122 215 F CA -0.913 57.012 58.000 -0.125 0.000 1.080 215 F CB 1.186 40.047 39.000 -0.231 0.000 1.131 215 F HN 0.314 nan 8.300 nan 0.000 0.471 216 M N 4.336 124.055 119.600 0.199 0.000 2.923 216 M HA 0.198 4.619 4.480 -0.098 0.000 0.311 216 M C 0.878 177.187 176.300 0.016 0.000 1.376 216 M CA 0.144 55.507 55.300 0.105 0.000 1.468 216 M CB 0.494 33.122 32.600 0.046 0.000 1.151 216 M HN 0.727 nan 8.290 nan 0.000 0.517 217 Q N 1.045 120.750 119.800 -0.159 0.000 2.204 217 Q HA 0.127 4.408 4.340 -0.098 0.000 0.198 217 Q C -0.336 175.269 176.000 -0.659 0.000 0.946 217 Q CA 0.992 56.441 55.803 -0.590 0.000 0.859 217 Q CB 0.501 28.522 28.738 -1.195 0.000 0.946 217 Q HN 0.493 nan 8.270 nan 0.000 0.474 218 F N -0.215 119.765 119.950 0.050 0.000 2.579 218 F HA 0.352 4.820 4.527 -0.098 0.000 0.324 218 F C -0.078 175.735 175.800 0.023 0.000 1.058 218 F CA -1.465 56.554 58.000 0.031 0.000 0.944 218 F CB 0.921 39.944 39.000 0.038 0.000 1.245 218 F HN -0.237 nan 8.300 nan 0.000 0.477 219 N N 1.146 119.976 118.700 0.216 0.000 2.706 219 N HA 0.192 4.873 4.740 -0.098 0.000 0.240 219 N C -0.876 174.690 175.510 0.093 0.000 1.039 219 N CA -0.591 52.532 53.050 0.121 0.000 0.888 219 N CB 0.608 39.145 38.487 0.083 0.000 1.128 219 N HN 0.562 nan 8.380 nan 0.000 0.512 220 R N 2.443 122.983 120.500 0.067 0.000 2.458 220 R HA 0.040 4.321 4.340 -0.098 0.000 0.303 220 R C -0.106 176.204 176.300 0.016 0.000 1.013 220 R CA -0.051 56.061 56.100 0.020 0.000 1.026 220 R CB 0.311 30.604 30.300 -0.013 0.000 0.948 220 R HN 0.511 nan 8.270 nan 0.000 0.417 221 Q N 2.535 122.343 119.800 0.014 0.000 2.396 221 Q HA 0.097 4.378 4.340 -0.098 0.000 0.221 221 Q C 1.048 177.054 176.000 0.009 0.000 1.025 221 Q CA 0.450 56.261 55.803 0.014 0.000 0.946 221 Q CB 0.860 29.607 28.738 0.015 0.000 1.224 221 Q HN 0.809 nan 8.270 nan 0.000 0.539 222 A N 1.206 124.032 122.820 0.009 0.000 2.024 222 A HA -0.204 4.057 4.320 -0.098 0.000 0.220 222 A C 1.112 178.701 177.584 0.008 0.000 1.164 222 A CA 2.077 54.118 52.037 0.008 0.000 0.643 222 A CB -0.363 18.641 19.000 0.008 0.000 0.806 222 A HN 0.752 nan 8.150 nan 0.000 0.451 223 D N -3.065 117.340 120.400 0.008 0.000 2.350 223 D HA 0.298 4.879 4.640 -0.098 0.000 0.213 223 D C 1.161 177.467 176.300 0.011 0.000 1.031 223 D CA 0.989 54.995 54.000 0.009 0.000 0.861 223 D CB -0.333 40.472 40.800 0.008 0.000 0.926 223 D HN 0.763 nan 8.370 nan 0.000 0.520 224 G N -0.466 108.340 108.800 0.010 0.000 2.179 224 G HA2 -0.231 3.670 3.960 -0.098 0.000 0.220 224 G HA3 -0.231 3.670 3.960 -0.098 0.000 0.220 224 G C 0.335 175.236 174.900 0.002 0.000 0.990 224 G CA 0.079 45.186 45.100 0.012 0.000 0.646 224 G HN 0.404 nan 8.290 nan 0.000 0.517 225 T N 3.283 117.837 114.554 0.000 0.000 2.888 225 T HA 0.471 4.762 4.350 -0.098 0.000 0.301 225 T C 0.899 175.587 174.700 -0.020 0.000 1.001 225 T CA 0.356 62.452 62.100 -0.007 0.000 1.147 225 T CB 0.688 69.559 68.868 0.004 0.000 0.931 225 T HN 0.173 nan 8.240 nan 0.000 0.541 226 M N 3.608 123.174 119.600 -0.056 0.000 2.589 226 M HA 0.213 4.634 4.480 -0.098 0.000 0.340 226 M C 0.314 176.628 176.300 0.024 0.000 1.308 226 M CA -0.028 55.217 55.300 -0.091 0.000 1.332 226 M CB -0.382 32.001 32.600 -0.362 0.000 1.219 226 M HN 0.585 nan 8.290 nan 0.000 0.467 227 E N 3.925 124.176 120.200 0.086 0.000 2.220 227 E HA 0.172 4.463 4.350 -0.098 0.000 0.272 227 E C -2.158 174.569 176.600 0.212 0.000 1.099 227 E CA -1.660 54.810 56.400 0.116 0.000 0.907 227 E CB 0.323 30.069 29.700 0.076 0.000 1.022 227 E HN 0.288 nan 8.360 nan 0.000 0.428 228 P HA -0.065 nan 4.420 nan 0.000 0.264 228 P C -0.423 176.916 177.300 0.065 0.000 1.193 228 P CA 0.266 63.518 63.100 0.254 0.000 0.763 228 P CB 0.410 32.230 31.700 0.199 0.000 0.810 229 L N 6.948 128.152 121.223 -0.033 0.000 2.462 229 L HA 0.051 4.332 4.340 -0.098 0.000 0.272 229 L C -0.607 176.197 176.870 -0.110 0.000 1.166 229 L CA -1.152 53.645 54.840 -0.072 0.000 0.880 229 L CB 0.259 42.248 42.059 -0.116 0.000 1.142 229 L HN 0.392 nan 8.230 nan 0.000 0.473 230 P HA -0.167 nan 4.420 nan 0.000 0.217 230 P C -0.319 176.915 177.300 -0.110 0.000 1.148 230 P CA 1.459 64.518 63.100 -0.067 0.000 0.828 230 P CB 0.064 31.740 31.700 -0.039 0.000 0.783 231 K N -1.505 118.813 120.400 -0.137 0.000 2.729 231 K HA 0.395 4.656 4.320 -0.098 0.000 0.269 231 K C -3.306 173.163 176.600 -0.219 0.000 1.065 231 K CA -1.660 54.515 56.287 -0.186 0.000 1.000 231 K CB 1.752 34.186 32.500 -0.111 0.000 1.283 231 K HN -0.130 nan 8.250 nan 0.000 0.491 232 P HA 0.357 nan 4.420 nan 0.000 0.306 232 P C -0.565 176.612 177.300 -0.204 0.000 1.309 232 P CA -0.492 62.362 63.100 -0.410 0.000 0.759 232 P CB 0.997 32.155 31.700 -0.903 0.000 1.314 233 S N -1.744 113.957 115.700 0.002 0.000 2.704 233 S HA 0.659 5.070 4.470 -0.098 0.000 0.296 233 S C -0.828 173.882 174.600 0.183 0.000 1.138 233 S CA -0.589 57.689 58.200 0.131 0.000 0.875 233 S CB 1.418 64.791 63.200 0.287 0.000 1.151 233 S HN 0.235 nan 8.310 nan 0.000 0.500 234 V N 1.626 121.571 119.914 0.052 0.000 2.760 234 V HA 0.572 4.633 4.120 -0.098 0.000 0.309 234 V C -1.326 174.728 176.094 -0.067 0.000 1.077 234 V CA -0.639 61.646 62.300 -0.026 0.000 0.910 234 V CB 2.017 33.813 31.823 -0.044 0.000 1.008 234 V HN 0.917 nan 8.190 nan 0.000 0.424 235 D N 2.762 123.037 120.400 -0.208 0.000 2.788 235 D HA 0.495 5.076 4.640 -0.098 0.000 0.247 235 D C -0.706 175.465 176.300 -0.215 0.000 1.236 235 D CA -0.028 53.910 54.000 -0.103 0.000 0.898 235 D CB 2.573 43.216 40.800 -0.262 0.000 1.401 235 D HN 0.717 nan 8.370 nan 0.000 0.549 236 T N 0.066 114.512 114.554 -0.181 0.000 2.924 236 T HA 0.849 5.140 4.350 -0.098 0.000 0.291 236 T C -0.836 173.904 174.700 0.066 0.000 1.045 236 T CA -0.790 61.285 62.100 -0.042 0.000 1.015 236 T CB 1.883 70.813 68.868 0.103 0.000 1.103 236 T HN 0.443 nan 8.240 nan 0.000 0.496 237 A N 2.673 125.623 122.820 0.216 0.000 2.402 237 A HA 0.706 4.967 4.320 -0.098 0.000 0.291 237 A C -0.732 176.867 177.584 0.024 0.000 1.051 237 A CA -0.827 51.263 52.037 0.089 0.000 0.716 237 A CB 1.263 20.297 19.000 0.057 0.000 1.223 237 A HN 1.118 nan 8.150 nan 0.000 0.425 238 M N 3.303 122.733 119.600 -0.283 0.000 2.259 238 M HA 0.627 5.048 4.480 -0.098 0.000 0.304 238 M C 0.174 176.268 176.300 -0.342 0.000 1.019 238 M CA -0.180 54.830 55.300 -0.484 0.000 0.922 238 M CB 1.643 33.598 32.600 -1.075 0.000 1.600 238 M HN 0.839 nan 8.290 nan 0.000 0.433 239 G N 3.622 112.300 108.800 -0.203 0.000 2.361 239 G HA2 0.306 4.207 3.960 -0.098 0.000 0.260 239 G HA3 0.306 4.207 3.960 -0.098 0.000 0.260 239 G C 0.250 175.031 174.900 -0.198 0.000 1.261 239 G CA -0.570 44.465 45.100 -0.108 0.000 0.897 239 G HN 0.867 nan 8.290 nan 0.000 0.499 240 L N 2.154 123.270 121.223 -0.179 0.000 2.056 240 L HA 0.054 4.335 4.340 -0.098 0.000 0.207 240 L C 2.454 179.219 176.870 -0.174 0.000 1.078 240 L CA 1.931 56.640 54.840 -0.219 0.000 0.749 240 L CB -0.313 41.628 42.059 -0.198 0.000 0.901 240 L HN 0.580 nan 8.230 nan 0.000 0.433 241 E N -0.613 119.518 120.200 -0.116 0.000 2.106 241 E HA -0.119 4.172 4.350 -0.098 0.000 0.192 241 E C 2.233 178.781 176.600 -0.087 0.000 0.984 241 E CA 0.829 57.181 56.400 -0.079 0.000 0.806 241 E CB -0.215 29.445 29.700 -0.067 0.000 0.750 241 E HN 0.297 nan 8.360 nan 0.000 0.458 242 R N 0.242 120.679 120.500 -0.106 0.000 2.080 242 R HA -0.114 4.167 4.340 -0.098 0.000 0.236 242 R C 2.371 178.573 176.300 -0.163 0.000 1.137 242 R CA 1.049 57.081 56.100 -0.114 0.000 0.943 242 R CB -0.820 29.405 30.300 -0.125 0.000 0.846 242 R HN 0.233 nan 8.270 nan 0.000 0.431 243 I N 1.036 121.466 120.570 -0.232 0.000 2.546 243 I HA -0.098 4.013 4.170 -0.098 0.000 0.255 243 I C 2.095 177.998 176.117 -0.355 0.000 1.163 243 I CA 0.892 61.994 61.300 -0.331 0.000 1.457 243 I CB -0.334 37.412 38.000 -0.423 0.000 1.092 243 I HN 0.117 nan 8.210 nan 0.000 0.434 244 A N 0.309 122.965 122.820 -0.273 0.000 1.930 244 A HA -0.043 4.218 4.320 -0.098 0.000 0.217 244 A C 2.479 179.963 177.584 -0.167 0.000 1.175 244 A CA 1.524 53.427 52.037 -0.223 0.000 0.627 244 A CB -1.109 17.801 19.000 -0.151 0.000 0.815 244 A HN 0.469 nan 8.150 nan 0.000 0.443 245 A N -0.651 122.095 122.820 -0.123 0.000 1.969 245 A HA 0.061 4.322 4.320 -0.098 0.000 0.218 245 A C 2.170 179.699 177.584 -0.092 0.000 1.169 245 A CA 1.683 53.682 52.037 -0.064 0.000 0.635 245 A CB -0.647 18.345 19.000 -0.014 0.000 0.810 245 A HN 0.348 nan 8.150 nan 0.000 0.445 246 V N -0.197 119.601 119.914 -0.193 0.000 2.407 246 V HA -0.148 3.913 4.120 -0.098 0.000 0.245 246 V C 2.394 178.220 176.094 -0.447 0.000 1.041 246 V CA 1.597 63.710 62.300 -0.313 0.000 1.040 246 V CB -0.573 30.943 31.823 -0.512 0.000 0.671 246 V HN 0.556 nan 8.190 nan 0.000 0.455 247 L N -0.542 120.429 121.223 -0.420 0.000 2.395 247 L HA -0.072 4.209 4.340 -0.098 0.000 0.218 247 L C 2.142 178.806 176.870 -0.343 0.000 1.130 247 L CA 1.100 55.688 54.840 -0.420 0.000 0.826 247 L CB -0.269 41.554 42.059 -0.392 0.000 0.941 247 L HN 0.393 nan 8.230 nan 0.000 0.451 248 Q N -1.539 118.121 119.800 -0.234 0.000 2.282 248 Q HA 0.083 4.364 4.340 -0.098 0.000 0.206 248 Q C -0.287 175.746 176.000 0.056 0.000 0.878 248 Q CA -0.169 55.598 55.803 -0.060 0.000 0.944 248 Q CB 0.527 29.249 28.738 -0.028 0.000 1.100 248 Q HN 0.380 nan 8.270 nan 0.000 0.509 249 H N -1.274 117.796 119.070 -0.001 0.000 2.903 249 H HA -0.126 4.446 4.556 0.027 0.000 0.285 249 H C -0.165 175.187 175.328 0.040 0.000 1.231 249 H CA 0.897 56.968 56.048 0.038 0.000 1.135 249 H CB -2.289 27.492 29.762 0.032 0.000 1.328 249 H HN 0.204 nan 8.280 nan 0.000 0.388 250 V N -3.079 116.894 119.914 0.098 0.000 2.994 250 V HA 0.375 4.436 4.120 -0.098 0.000 0.318 250 V C 0.988 177.110 176.094 0.047 0.000 1.085 250 V CA -0.359 61.980 62.300 0.065 0.000 0.998 250 V CB 2.070 33.924 31.823 0.052 0.000 1.063 250 V HN 0.162 nan 8.190 nan 0.000 0.447 251 N N 0.486 119.183 118.700 -0.004 0.000 2.305 251 N HA 0.034 4.715 4.740 -0.098 0.000 0.179 251 N C 0.916 176.426 175.510 0.000 0.000 1.019 251 N CA 0.744 53.756 53.050 -0.064 0.000 0.869 251 N CB 0.152 38.571 38.487 -0.114 0.000 1.000 251 N HN 0.705 nan 8.380 nan 0.000 0.431 252 S N 0.084 115.796 115.700 0.020 0.000 2.578 252 S HA 0.231 4.642 4.470 -0.098 0.000 0.283 252 S C 0.625 175.244 174.600 0.033 0.000 1.195 252 S CA -0.774 57.453 58.200 0.045 0.000 1.050 252 S CB 0.822 64.071 63.200 0.081 0.000 1.012 252 S HN 0.087 nan 8.310 nan 0.000 0.511 253 N N 2.104 120.790 118.700 -0.024 0.000 2.381 253 N HA -0.038 4.643 4.740 -0.098 0.000 0.182 253 N C 0.481 175.880 175.510 -0.186 0.000 1.025 253 N CA 1.166 54.159 53.050 -0.096 0.000 0.888 253 N CB -0.390 38.037 38.487 -0.100 0.000 0.965 253 N HN 0.684 nan 8.380 nan 0.000 0.438 254 Y N 0.209 120.423 120.300 -0.143 0.000 2.529 254 Y HA 0.087 4.576 4.550 -0.101 0.000 0.290 254 Y C 0.759 176.671 175.900 0.020 0.000 1.177 254 Y CA 0.183 58.151 58.100 -0.219 0.000 1.305 254 Y CB 0.314 38.584 38.460 -0.316 0.000 1.047 254 Y HN -0.063 nan 8.280 nan 0.000 0.522 255 D N 0.417 120.903 120.400 0.142 0.000 2.402 255 D HA 0.143 4.724 4.640 -0.098 0.000 0.216 255 D C 0.466 176.830 176.300 0.107 0.000 1.128 255 D CA 0.130 54.200 54.000 0.116 0.000 0.833 255 D CB 0.038 40.882 40.800 0.074 0.000 0.971 255 D HN 0.375 nan 8.370 nan 0.000 0.503 256 I N -1.266 119.387 120.570 0.139 0.000 2.577 256 I HA 0.188 4.299 4.170 -0.098 0.000 0.300 256 I C 1.518 177.693 176.117 0.098 0.000 0.990 256 I CA -0.755 60.603 61.300 0.098 0.000 1.283 256 I CB 1.276 39.325 38.000 0.082 0.000 1.411 256 I HN -0.264 nan 8.210 nan 0.000 0.515 257 D N 4.212 124.637 120.400 0.043 0.000 2.157 257 D HA -0.324 4.257 4.640 -0.098 0.000 0.191 257 D C 1.821 178.129 176.300 0.013 0.000 1.004 257 D CA 1.951 55.966 54.000 0.025 0.000 0.854 257 D CB -0.272 40.529 40.800 0.001 0.000 0.936 257 D HN 0.799 nan 8.370 nan 0.000 0.446 258 L N -0.794 120.413 121.223 -0.026 0.000 1.990 258 L HA -0.221 4.060 4.340 -0.098 0.000 0.213 258 L C 2.733 179.517 176.870 -0.144 0.000 1.072 258 L CA 1.718 56.480 54.840 -0.131 0.000 0.755 258 L CB -0.347 41.569 42.059 -0.238 0.000 0.889 258 L HN -0.079 nan 8.230 nan 0.000 0.432 259 F N -0.515 119.449 119.950 0.023 0.000 2.187 259 F HA -0.068 4.398 4.527 -0.102 0.000 0.295 259 F C 2.657 178.503 175.800 0.076 0.000 1.091 259 F CA 0.849 58.892 58.000 0.072 0.000 1.308 259 F CB -0.197 38.872 39.000 0.115 0.000 1.030 259 F HN -0.068 nan 8.300 nan 0.000 0.487 260 R N -0.246 120.396 120.500 0.236 0.000 2.096 260 R HA -0.166 4.116 4.340 -0.098 0.000 0.240 260 R C 2.004 178.363 176.300 0.098 0.000 1.139 260 R CA 2.066 58.254 56.100 0.145 0.000 0.952 260 R CB -1.377 28.982 30.300 0.099 0.000 0.854 260 R HN 0.234 nan 8.270 nan 0.000 0.436 261 T N 1.660 116.253 114.554 0.064 0.000 2.777 261 T HA -0.100 4.191 4.350 -0.098 0.000 0.266 261 T C 1.759 176.480 174.700 0.035 0.000 1.040 261 T CA 0.890 63.008 62.100 0.031 0.000 1.141 261 T CB -0.186 68.683 68.868 0.001 0.000 0.868 261 T HN 0.042 nan 8.240 nan 0.000 0.444 262 L N 0.794 122.043 121.223 0.042 0.000 2.093 262 L HA 0.156 4.437 4.340 -0.098 0.000 0.208 262 L C 2.081 179.018 176.870 0.111 0.000 1.085 262 L CA 1.299 56.168 54.840 0.048 0.000 0.755 262 L CB -0.577 41.484 42.059 0.003 0.000 0.904 262 L HN 0.275 nan 8.230 nan 0.000 0.435 263 I N -1.141 119.525 120.570 0.161 0.000 2.252 263 I HA -0.316 3.795 4.170 -0.098 0.000 0.245 263 I C 2.393 178.558 176.117 0.079 0.000 1.102 263 I CA 1.095 62.479 61.300 0.140 0.000 1.385 263 I CB -0.244 37.844 38.000 0.148 0.000 1.064 263 I HN 0.367 nan 8.210 nan 0.000 0.414 264 Q N 0.507 120.345 119.800 0.062 0.000 2.170 264 Q HA -0.180 4.102 4.340 -0.098 0.000 0.203 264 Q C 2.406 178.422 176.000 0.028 0.000 0.976 264 Q CA 1.638 57.462 55.803 0.036 0.000 0.858 264 Q CB -0.247 28.508 28.738 0.028 0.000 0.907 264 Q HN 0.576 nan 8.270 nan 0.000 0.433 265 A N 0.176 123.015 122.820 0.032 0.000 1.969 265 A HA -0.096 4.165 4.320 -0.098 0.000 0.218 265 A C 2.248 179.857 177.584 0.041 0.000 1.169 265 A CA 0.988 53.038 52.037 0.022 0.000 0.635 265 A CB -0.344 18.661 19.000 0.007 0.000 0.810 265 A HN 0.204 nan 8.150 nan 0.000 0.445 266 V N -0.290 119.664 119.914 0.066 0.000 2.453 266 V HA -0.178 3.883 4.120 -0.098 0.000 0.247 266 V C 2.975 179.092 176.094 0.038 0.000 1.048 266 V CA 1.677 64.032 62.300 0.093 0.000 1.049 266 V CB -1.060 30.834 31.823 0.118 0.000 0.672 266 V HN 0.579 nan 8.190 nan 0.000 0.457 267 A N -0.402 122.429 122.820 0.018 0.000 2.015 267 A HA -0.184 4.077 4.320 -0.098 0.000 0.219 267 A C 2.305 179.879 177.584 -0.018 0.000 1.163 267 A CA 1.590 53.621 52.037 -0.010 0.000 0.646 267 A CB -0.325 18.672 19.000 -0.005 0.000 0.806 267 A HN 0.527 nan 8.150 nan 0.000 0.448 268 K N -0.267 120.131 120.400 -0.004 0.000 2.031 268 K HA -0.078 4.183 4.320 -0.098 0.000 0.205 268 K C 1.878 178.471 176.600 -0.011 0.000 1.049 268 K CA 1.612 57.894 56.287 -0.008 0.000 0.939 268 K CB -0.364 32.134 32.500 -0.003 0.000 0.717 268 K HN 0.501 nan 8.250 nan 0.000 0.438 269 V N -0.698 119.220 119.914 0.007 0.000 3.041 269 V HA -0.084 3.977 4.120 -0.098 0.000 0.260 269 V C 1.943 178.007 176.094 -0.051 0.000 1.105 269 V CA 1.791 64.107 62.300 0.028 0.000 1.125 269 V CB -0.741 31.159 31.823 0.128 0.000 0.730 269 V HN 0.336 nan 8.190 nan 0.000 0.479 270 T N -3.359 111.114 114.554 -0.134 0.000 3.015 270 T HA 0.399 4.690 4.350 -0.098 0.000 0.250 270 T C 1.617 176.224 174.700 -0.156 0.000 1.057 270 T CA 0.734 62.671 62.100 -0.272 0.000 1.066 270 T CB 0.194 68.858 68.868 -0.340 0.000 0.959 270 T HN 1.629 nan 8.240 nan 0.000 0.488 271 G N 1.668 110.413 108.800 -0.092 0.000 2.256 271 G HA2 0.119 4.020 3.960 -0.098 0.000 0.272 271 G HA3 0.119 4.020 3.960 -0.098 0.000 0.272 271 G C 0.126 174.988 174.900 -0.063 0.000 1.076 271 G CA -0.110 44.952 45.100 -0.063 0.000 0.882 271 G HN 1.095 nan 8.290 nan 0.000 0.497 272 A N -0.923 121.859 122.820 -0.062 0.000 2.264 272 A HA 0.935 5.196 4.320 -0.098 0.000 0.304 272 A C 1.338 178.900 177.584 -0.037 0.000 1.100 272 A CA 0.828 52.832 52.037 -0.054 0.000 0.839 272 A CB 0.887 19.852 19.000 -0.058 0.000 1.121 272 A HN 1.335 nan 8.150 nan 0.000 0.496 273 T N -2.602 111.932 114.554 -0.034 0.000 3.028 273 T HA 0.156 4.447 4.350 -0.098 0.000 0.250 273 T C 0.052 174.738 174.700 -0.024 0.000 0.979 273 T CA 0.587 62.671 62.100 -0.026 0.000 1.004 273 T CB -0.278 68.575 68.868 -0.025 0.000 1.120 273 T HN 0.473 nan 8.240 nan 0.000 0.482 274 D N 2.040 122.423 120.400 -0.029 0.000 2.453 274 D HA 0.253 4.834 4.640 -0.098 0.000 0.223 274 D C 1.165 177.447 176.300 -0.030 0.000 1.183 274 D CA -0.484 53.499 54.000 -0.029 0.000 0.933 274 D CB 0.180 40.960 40.800 -0.034 0.000 1.038 274 D HN 0.066 nan 8.370 nan 0.000 0.513 275 L N 2.100 123.310 121.223 -0.022 0.000 2.450 275 L HA -0.142 4.139 4.340 -0.098 0.000 0.224 275 L C 2.035 178.889 176.870 -0.026 0.000 1.149 275 L CA 0.984 55.814 54.840 -0.016 0.000 0.816 275 L CB -0.922 41.135 42.059 -0.003 0.000 0.932 275 L HN 0.388 nan 8.230 nan 0.000 0.449 276 S N -1.509 114.170 115.700 -0.035 0.000 2.436 276 S HA -0.086 4.326 4.470 -0.098 0.000 0.228 276 S C 1.141 175.695 174.600 -0.077 0.000 1.014 276 S CA -0.164 58.006 58.200 -0.050 0.000 0.950 276 S CB -0.396 62.778 63.200 -0.043 0.000 0.784 276 S HN 0.427 nan 8.310 nan 0.000 0.504 277 N N 3.031 121.688 118.700 -0.071 0.000 2.356 277 N HA -0.043 4.638 4.740 -0.098 0.000 0.252 277 N C 1.104 176.535 175.510 -0.131 0.000 1.241 277 N CA 0.409 53.407 53.050 -0.087 0.000 0.861 277 N CB 0.802 39.250 38.487 -0.064 0.000 1.075 277 N HN 0.657 nan 8.380 nan 0.000 0.461 278 K N 1.277 121.576 120.400 -0.169 0.000 2.148 278 K HA -0.045 4.216 4.320 -0.098 0.000 0.204 278 K C 1.594 178.042 176.600 -0.253 0.000 1.050 278 K CA 1.105 57.233 56.287 -0.266 0.000 0.942 278 K CB -0.107 32.183 32.500 -0.350 0.000 0.724 278 K HN 0.268 nan 8.250 nan 0.000 0.446 279 S N 1.491 117.115 115.700 -0.127 0.000 2.400 279 S HA -0.065 4.346 4.470 -0.098 0.000 0.232 279 S C 1.825 176.348 174.600 -0.128 0.000 1.025 279 S CA 1.253 59.417 58.200 -0.061 0.000 0.993 279 S CB -0.362 62.915 63.200 0.128 0.000 0.808 279 S HN 0.253 nan 8.310 nan 0.000 0.478 280 L N 0.650 121.813 121.223 -0.100 0.000 2.046 280 L HA -0.112 4.169 4.340 -0.098 0.000 0.208 280 L C 2.694 179.525 176.870 -0.064 0.000 1.077 280 L CA 1.337 56.145 54.840 -0.054 0.000 0.747 280 L CB -0.423 41.614 42.059 -0.037 0.000 0.896 280 L HN 0.219 nan 8.230 nan 0.000 0.432 281 R N -0.670 119.717 120.500 -0.189 0.000 2.092 281 R HA -0.096 4.185 4.340 -0.098 0.000 0.231 281 R C 2.252 178.417 176.300 -0.226 0.000 1.119 281 R CA 0.972 56.896 56.100 -0.295 0.000 0.970 281 R CB -0.399 29.434 30.300 -0.779 0.000 0.864 281 R HN 0.164 nan 8.270 nan 0.000 0.440 282 V N 1.500 121.206 119.914 -0.347 0.000 2.255 282 V HA -0.260 3.801 4.120 -0.098 0.000 0.247 282 V C 2.225 178.083 176.094 -0.393 0.000 1.051 282 V CA 1.857 63.864 62.300 -0.487 0.000 1.018 282 V CB -0.384 30.897 31.823 -0.903 0.000 0.641 282 V HN 0.281 nan 8.190 nan 0.000 0.445 283 I N 0.447 120.897 120.570 -0.200 0.000 2.286 283 I HA -0.206 3.905 4.170 -0.098 0.000 0.248 283 I C 2.649 178.926 176.117 0.268 0.000 1.115 283 I CA 1.315 62.672 61.300 0.095 0.000 1.392 283 I CB -0.638 37.496 38.000 0.222 0.000 1.065 283 I HN 0.287 nan 8.210 nan 0.000 0.418 284 A N 0.727 123.691 122.820 0.240 0.000 1.902 284 A HA -0.305 3.956 4.320 -0.098 0.000 0.217 284 A C 2.005 179.895 177.584 0.509 0.000 1.181 284 A CA 2.397 54.658 52.037 0.372 0.000 0.623 284 A CB -0.729 18.561 19.000 0.484 0.000 0.818 284 A HN 0.500 nan 8.150 nan 0.000 0.443 285 D N -1.846 118.885 120.400 0.551 0.000 2.123 285 D HA -0.161 4.420 4.640 -0.098 0.000 0.200 285 D C 1.672 178.301 176.300 0.548 0.000 0.976 285 D CA 1.233 55.619 54.000 0.643 0.000 0.831 285 D CB -0.130 41.060 40.800 0.649 0.000 0.974 285 D HN 0.513 nan 8.370 nan 0.000 0.469 286 H N -0.641 118.599 119.070 0.283 0.000 2.495 286 H HA 0.063 4.560 4.556 -0.099 0.000 0.287 286 H C 1.670 177.211 175.328 0.356 0.000 1.033 286 H CA 0.628 56.841 56.048 0.275 0.000 1.307 286 H CB -0.193 29.690 29.762 0.202 0.000 1.401 286 H HN 0.235 nan 8.280 nan 0.000 0.555 287 I N 0.582 121.399 120.570 0.412 0.000 2.546 287 I HA -0.144 3.967 4.170 -0.098 0.000 0.255 287 I C 1.997 178.083 176.117 -0.052 0.000 1.163 287 I CA 1.048 62.374 61.300 0.043 0.000 1.457 287 I CB -0.115 37.787 38.000 -0.165 0.000 1.092 287 I HN 0.040 nan 8.210 nan 0.000 0.434 288 R N -0.178 120.318 120.500 -0.007 0.000 2.062 288 R HA -0.074 4.207 4.340 -0.098 0.000 0.231 288 R C 2.304 178.493 176.300 -0.186 0.000 1.136 288 R CA 1.691 57.653 56.100 -0.230 0.000 0.948 288 R CB -0.877 29.190 30.300 -0.389 0.000 0.845 288 R HN 0.341 nan 8.270 nan 0.000 0.430 289 S N 1.106 116.835 115.700 0.049 0.000 2.351 289 S HA -0.186 4.225 4.470 -0.098 0.000 0.220 289 S C 2.365 176.997 174.600 0.053 0.000 1.035 289 S CA 1.569 59.845 58.200 0.127 0.000 1.031 289 S CB -0.554 62.700 63.200 0.090 0.000 0.928 289 S HN 0.401 nan 8.310 nan 0.000 0.433 290 C N 1.896 121.232 119.300 0.060 0.000 2.432 290 C HA 0.037 4.438 4.460 -0.098 0.000 0.277 290 C C 3.155 178.134 174.990 -0.019 0.000 1.249 290 C CA 0.422 59.473 59.018 0.054 0.000 1.725 290 C CB -1.679 26.185 27.740 0.206 0.000 2.028 290 C HN 0.684 nan 8.230 nan 0.000 0.477 291 A N -0.061 122.698 122.820 -0.102 0.000 1.877 291 A HA -0.101 4.160 4.320 -0.098 0.000 0.216 291 A C 1.871 179.311 177.584 -0.239 0.000 1.186 291 A CA 1.529 53.429 52.037 -0.228 0.000 0.620 291 A CB -0.812 17.965 19.000 -0.371 0.000 0.822 291 A HN 0.506 nan 8.150 nan 0.000 0.443 292 F N -0.145 119.705 119.950 -0.166 0.000 2.206 292 F HA -0.021 4.447 4.527 -0.098 0.000 0.298 292 F C 2.113 177.891 175.800 -0.037 0.000 1.090 292 F CA 0.996 58.942 58.000 -0.090 0.000 1.323 292 F CB -0.315 38.655 39.000 -0.049 0.000 1.028 292 F HN 0.092 nan 8.300 nan 0.000 0.492 293 L N -0.318 120.970 121.223 0.108 0.000 2.017 293 L HA -0.255 4.026 4.340 -0.098 0.000 0.208 293 L C 2.333 179.225 176.870 0.037 0.000 1.073 293 L CA 1.475 56.327 54.840 0.020 0.000 0.745 293 L CB -0.626 41.378 42.059 -0.092 0.000 0.894 293 L HN 0.126 nan 8.230 nan 0.000 0.432 294 I N -0.315 120.261 120.570 0.011 0.000 2.226 294 I HA -0.276 3.835 4.170 -0.098 0.000 0.245 294 I C 2.761 178.879 176.117 0.001 0.000 1.100 294 I CA 1.116 62.420 61.300 0.007 0.000 1.374 294 I CB -0.512 37.477 38.000 -0.018 0.000 1.057 294 I HN 0.200 nan 8.210 nan 0.000 0.413 295 A N 0.113 122.916 122.820 -0.028 0.000 2.024 295 A HA -0.239 4.022 4.320 -0.098 0.000 0.220 295 A C 1.768 179.373 177.584 0.035 0.000 1.164 295 A CA 2.007 54.026 52.037 -0.030 0.000 0.643 295 A CB -0.470 18.469 19.000 -0.101 0.000 0.806 295 A HN 0.354 nan 8.150 nan 0.000 0.451 296 D N -1.909 118.535 120.400 0.073 0.000 2.340 296 D HA 0.292 4.873 4.640 -0.098 0.000 0.220 296 D C 1.300 177.663 176.300 0.106 0.000 1.039 296 D CA 1.110 55.171 54.000 0.102 0.000 0.866 296 D CB 0.343 41.215 40.800 0.119 0.000 0.913 296 D HN 0.588 nan 8.370 nan 0.000 0.523 297 G N -0.124 108.725 108.800 0.082 0.000 2.184 297 G HA2 -0.242 3.659 3.960 -0.098 0.000 0.206 297 G HA3 -0.242 3.659 3.960 -0.098 0.000 0.206 297 G C 0.268 175.224 174.900 0.093 0.000 0.995 297 G CA -0.056 45.094 45.100 0.083 0.000 0.651 297 G HN 0.214 nan 8.290 nan 0.000 0.511 298 V N 3.175 123.152 119.914 0.105 0.000 2.427 298 V HA 0.561 4.622 4.120 -0.098 0.000 0.268 298 V C 0.677 176.826 176.094 0.091 0.000 1.046 298 V CA -0.014 62.362 62.300 0.126 0.000 0.970 298 V CB 1.235 33.164 31.823 0.177 0.000 1.001 298 V HN 0.311 nan 8.190 nan 0.000 0.476 299 M N 6.690 126.342 119.600 0.087 0.000 2.300 299 M HA 0.453 4.874 4.480 -0.098 0.000 0.348 299 M C -2.546 173.801 176.300 0.078 0.000 1.151 299 M CA -2.706 52.634 55.300 0.067 0.000 1.046 299 M CB 1.324 33.956 32.600 0.055 0.000 1.647 299 M HN 0.260 nan 8.290 nan 0.000 0.451 300 P HA 0.084 nan 4.420 nan 0.000 0.263 300 P C -0.554 176.795 177.300 0.082 0.000 1.195 300 P CA 0.253 63.391 63.100 0.064 0.000 0.762 300 P CB 0.446 32.167 31.700 0.036 0.000 0.799 301 S N 1.991 117.763 115.700 0.121 0.000 2.752 301 S HA 0.402 4.813 4.470 -0.098 0.000 0.284 301 S C 0.119 174.863 174.600 0.239 0.000 1.189 301 S CA -0.728 57.556 58.200 0.139 0.000 0.835 301 S CB 0.919 64.187 63.200 0.113 0.000 1.192 301 S HN 0.178 nan 8.310 nan 0.000 0.506 302 N N 0.524 119.337 118.700 0.189 0.000 2.230 302 N HA 0.303 4.984 4.740 -0.098 0.000 0.202 302 N C -1.004 174.515 175.510 0.014 0.000 1.119 302 N CA 0.214 53.364 53.050 0.166 0.000 0.851 302 N CB 0.243 38.770 38.487 0.067 0.000 0.990 302 N HN 0.558 nan 8.380 nan 0.000 0.497 303 E N 0.383 120.639 120.200 0.092 0.000 2.171 303 E HA 0.310 4.601 4.350 -0.098 0.000 0.271 303 E C 0.278 176.943 176.600 0.109 0.000 0.916 303 E CA -0.567 55.866 56.400 0.056 0.000 0.774 303 E CB 1.507 31.237 29.700 0.049 0.000 1.128 303 E HN 0.018 nan 8.360 nan 0.000 0.403 304 N N 1.941 120.689 118.700 0.081 0.000 1.222 304 N HA -0.361 4.320 4.740 -0.098 0.000 0.134 304 N C 0.774 176.352 175.510 0.113 0.000 0.787 304 N CA 2.169 55.262 53.050 0.071 0.000 0.929 304 N CB -0.320 38.189 38.487 0.036 0.000 1.170 304 N HN 0.536 nan 8.380 nan 0.000 0.541 305 R N -0.497 120.040 120.500 0.062 0.000 2.081 305 R HA 0.036 4.318 4.340 -0.098 0.000 0.235 305 R C 2.165 178.617 176.300 0.253 0.000 1.131 305 R CA 1.637 57.799 56.100 0.103 0.000 0.960 305 R CB -0.854 29.479 30.300 0.056 0.000 0.856 305 R HN 0.617 nan 8.270 nan 0.000 0.436 306 G N -0.481 108.438 108.800 0.198 0.000 2.448 306 G HA2 -0.303 3.598 3.960 -0.098 0.000 0.219 306 G HA3 -0.303 3.598 3.960 -0.098 0.000 0.219 306 G C 1.114 176.136 174.900 0.204 0.000 1.127 306 G CA 0.508 45.719 45.100 0.185 0.000 0.766 306 G HN 0.321 nan 8.290 nan 0.000 0.552 307 Y N 0.919 121.276 120.300 0.095 0.000 2.243 307 Y HA 0.018 4.510 4.550 -0.098 0.000 0.293 307 Y C 2.812 178.766 175.900 0.091 0.000 1.124 307 Y CA 0.837 58.986 58.100 0.082 0.000 1.159 307 Y CB -0.180 38.331 38.460 0.085 0.000 1.008 307 Y HN 0.030 nan 8.280 nan 0.000 0.527 308 V N 0.339 120.356 119.914 0.173 0.000 2.324 308 V HA -0.323 3.738 4.120 -0.098 0.000 0.250 308 V C 2.371 178.493 176.094 0.047 0.000 1.060 308 V CA 1.870 64.248 62.300 0.129 0.000 1.042 308 V CB -1.069 30.951 31.823 0.328 0.000 0.650 308 V HN 0.441 nan 8.190 nan 0.000 0.450 309 L N 0.471 121.752 121.223 0.097 0.000 1.994 309 L HA -0.169 4.112 4.340 -0.098 0.000 0.208 309 L C 2.614 179.448 176.870 -0.060 0.000 1.071 309 L CA 2.347 57.203 54.840 0.026 0.000 0.745 309 L CB -0.799 41.303 42.059 0.071 0.000 0.892 309 L HN 0.239 nan 8.230 nan 0.000 0.431 310 R N -0.773 119.667 120.500 -0.101 0.000 2.091 310 R HA -0.177 4.104 4.340 -0.098 0.000 0.238 310 R C 2.437 178.545 176.300 -0.320 0.000 1.136 310 R CA 1.642 57.623 56.100 -0.198 0.000 0.959 310 R CB -0.188 29.996 30.300 -0.193 0.000 0.856 310 R HN 0.371 nan 8.270 nan 0.000 0.437 311 R N 0.067 120.334 120.500 -0.388 0.000 2.073 311 R HA -0.116 4.165 4.340 -0.098 0.000 0.234 311 R C 2.365 178.537 176.300 -0.213 0.000 1.134 311 R CA 1.883 57.771 56.100 -0.352 0.000 0.952 311 R CB -0.386 29.722 30.300 -0.320 0.000 0.850 311 R HN 0.331 nan 8.270 nan 0.000 0.433 312 I N 0.557 121.032 120.570 -0.159 0.000 2.252 312 I HA -0.246 3.865 4.170 -0.098 0.000 0.245 312 I C 2.300 178.363 176.117 -0.089 0.000 1.102 312 I CA 1.148 62.367 61.300 -0.136 0.000 1.385 312 I CB -0.272 37.608 38.000 -0.199 0.000 1.064 312 I HN 0.112 nan 8.210 nan 0.000 0.414 313 I N 0.690 121.181 120.570 -0.132 0.000 2.099 313 I HA -0.306 3.805 4.170 -0.098 0.000 0.239 313 I C 2.772 178.685 176.117 -0.341 0.000 1.066 313 I CA 1.617 62.789 61.300 -0.212 0.000 1.324 313 I CB -0.480 37.454 38.000 -0.109 0.000 1.037 313 I HN 0.153 nan 8.210 nan 0.000 0.401 314 R N 0.429 120.703 120.500 -0.377 0.000 2.096 314 R HA -0.114 4.167 4.340 -0.098 0.000 0.235 314 R C 2.443 178.577 176.300 -0.277 0.000 1.127 314 R CA 1.098 56.867 56.100 -0.552 0.000 0.968 314 R CB -0.345 29.298 30.300 -1.095 0.000 0.861 314 R HN 0.374 nan 8.270 nan 0.000 0.440 315 R N 0.320 120.723 120.500 -0.162 0.000 2.120 315 R HA -0.069 4.212 4.340 -0.098 0.000 0.234 315 R C 2.270 178.642 176.300 0.119 0.000 1.123 315 R CA 1.328 57.443 56.100 0.025 0.000 0.975 315 R CB -0.238 30.134 30.300 0.121 0.000 0.866 315 R HN 0.208 nan 8.270 nan 0.000 0.446 316 A N 0.424 123.239 122.820 -0.007 0.000 1.929 316 A HA -0.062 4.199 4.320 -0.098 0.000 0.216 316 A C 2.266 179.817 177.584 -0.056 0.000 1.176 316 A CA 0.974 52.935 52.037 -0.126 0.000 0.628 316 A CB -0.264 18.462 19.000 -0.458 0.000 0.816 316 A HN 0.101 nan 8.150 nan 0.000 0.444 317 V N 0.299 120.133 119.914 -0.135 0.000 2.427 317 V HA -0.201 3.860 4.120 -0.098 0.000 0.248 317 V C 2.700 178.925 176.094 0.218 0.000 1.051 317 V CA 1.977 64.342 62.300 0.108 0.000 1.048 317 V CB -0.825 31.065 31.823 0.113 0.000 0.666 317 V HN 0.546 nan 8.190 nan 0.000 0.456 318 R N -0.509 120.077 120.500 0.143 0.000 2.081 318 R HA -0.154 4.127 4.340 -0.098 0.000 0.235 318 R C 2.272 178.572 176.300 -0.000 0.000 1.131 318 R CA 1.685 57.823 56.100 0.064 0.000 0.960 318 R CB -0.618 29.682 30.300 -0.001 0.000 0.856 318 R HN 0.600 nan 8.270 nan 0.000 0.436 319 H N -1.194 117.884 119.070 0.013 0.000 2.353 319 H HA -0.062 4.436 4.556 -0.098 0.000 0.300 319 H C 1.855 177.160 175.328 -0.038 0.000 1.090 319 H CA 1.561 57.596 56.048 -0.022 0.000 1.327 319 H CB -0.148 29.579 29.762 -0.058 0.000 1.383 319 H HN 0.398 nan 8.280 nan 0.000 0.508 320 G N 1.039 109.921 108.800 0.136 0.000 2.421 320 G HA2 -0.316 3.585 3.960 -0.098 0.000 0.216 320 G HA3 -0.316 3.585 3.960 -0.098 0.000 0.216 320 G C 1.662 176.423 174.900 -0.231 0.000 1.171 320 G CA 0.653 45.613 45.100 -0.234 0.000 0.775 320 G HN 0.412 nan 8.290 nan 0.000 0.543 321 N N 0.206 118.882 118.700 -0.040 0.000 2.061 321 N HA -0.134 4.547 4.740 -0.098 0.000 0.193 321 N C 2.289 177.759 175.510 -0.068 0.000 1.030 321 N CA 1.423 54.450 53.050 -0.039 0.000 0.856 321 N CB -0.267 38.225 38.487 0.009 0.000 1.023 321 N HN 0.286 nan 8.380 nan 0.000 0.424 322 M N 0.539 120.098 119.600 -0.069 0.000 2.149 322 M HA -0.144 4.277 4.480 -0.098 0.000 0.261 322 M C 2.037 178.292 176.300 -0.075 0.000 1.064 322 M CA 1.228 56.484 55.300 -0.074 0.000 1.102 322 M CB -0.106 32.437 32.600 -0.095 0.000 1.369 322 M HN 0.210 nan 8.290 nan 0.000 0.408 323 L N -1.307 119.859 121.223 -0.095 0.000 2.376 323 L HA -0.029 4.253 4.340 -0.098 0.000 0.219 323 L C 1.514 178.318 176.870 -0.110 0.000 1.133 323 L CA 0.830 55.609 54.840 -0.102 0.000 0.816 323 L CB -0.287 41.695 42.059 -0.129 0.000 0.933 323 L HN 0.633 nan 8.230 nan 0.000 0.449 324 G N -1.074 107.655 108.800 -0.119 0.000 2.205 324 G HA2 -0.173 3.728 3.960 -0.098 0.000 0.180 324 G HA3 -0.173 3.728 3.960 -0.098 0.000 0.180 324 G C 0.436 175.266 174.900 -0.116 0.000 1.004 324 G CA -0.273 44.769 45.100 -0.097 0.000 0.670 324 G HN 0.403 nan 8.290 nan 0.000 0.496 325 A N 0.118 122.816 122.820 -0.203 0.000 2.583 325 A HA 0.445 4.706 4.320 -0.098 0.000 0.249 325 A C 1.311 178.851 177.584 -0.073 0.000 1.035 325 A CA 1.774 53.672 52.037 -0.231 0.000 0.777 325 A CB 0.329 19.010 19.000 -0.533 0.000 0.942 325 A HN 0.313 nan 8.150 nan 0.000 0.516 326 K N 0.635 121.020 120.400 -0.024 0.000 2.335 326 K HA 0.110 4.371 4.320 -0.098 0.000 0.195 326 K C 0.603 177.237 176.600 0.056 0.000 1.058 326 K CA 1.454 57.749 56.287 0.012 0.000 0.988 326 K CB 0.358 32.860 32.500 0.003 0.000 0.880 326 K HN 0.940 nan 8.250 nan 0.000 0.513 327 E N -1.178 119.076 120.200 0.091 0.000 2.359 327 E HA 0.337 4.629 4.350 -0.098 0.000 0.266 327 E C -0.957 175.782 176.600 0.232 0.000 0.920 327 E CA -0.900 55.581 56.400 0.135 0.000 0.788 327 E CB 0.927 30.694 29.700 0.111 0.000 1.279 327 E HN -0.222 nan 8.360 nan 0.000 0.438 328 T N 2.030 116.730 114.554 0.243 0.000 2.765 328 T HA -0.033 4.259 4.350 -0.098 0.000 0.275 328 T C 0.083 174.967 174.700 0.308 0.000 1.007 328 T CA 0.763 63.046 62.100 0.305 0.000 1.175 328 T CB -0.408 68.648 68.868 0.313 0.000 0.993 328 T HN 0.541 nan 8.240 nan 0.000 0.510 329 F N 0.977 120.996 119.950 0.115 0.000 2.729 329 F HA 0.384 4.852 4.527 -0.099 0.000 0.304 329 F C 1.503 177.291 175.800 -0.019 0.000 1.008 329 F CA -0.580 57.410 58.000 -0.017 0.000 1.188 329 F CB -0.329 38.690 39.000 0.032 0.000 0.980 329 F HN 0.448 nan 8.300 nan 0.000 0.627 330 F N 2.531 121.812 119.950 -1.115 0.000 2.161 330 F HA -0.158 4.310 4.527 -0.099 0.000 0.300 330 F C 2.519 178.126 175.800 -0.322 0.000 1.089 330 F CA 1.792 59.278 58.000 -0.856 0.000 1.282 330 F CB -0.883 37.684 39.000 -0.723 0.000 1.010 330 F HN 0.284 nan 8.300 nan 0.000 0.485 331 Y N -0.370 119.795 120.300 -0.224 0.000 2.421 331 Y HA 0.012 4.504 4.550 -0.097 0.000 0.292 331 Y C 1.800 177.591 175.900 -0.183 0.000 1.136 331 Y CA 1.023 58.989 58.100 -0.223 0.000 1.255 331 Y CB -1.343 37.049 38.460 -0.113 0.000 0.991 331 Y HN -0.058 nan 8.280 nan 0.000 0.552 332 K N 0.824 120.743 120.400 -0.802 0.000 2.574 332 K HA 0.042 4.303 4.320 -0.098 0.000 0.193 332 K C 1.100 177.541 176.600 -0.265 0.000 1.035 332 K CA 0.795 56.757 56.287 -0.541 0.000 0.982 332 K CB -0.117 32.092 32.500 -0.484 0.000 0.795 332 K HN 0.466 nan 8.250 nan 0.000 0.491 333 L N -0.268 120.789 121.223 -0.277 0.000 2.616 333 L HA 0.008 4.289 4.340 -0.098 0.000 0.229 333 L C 1.716 178.446 176.870 -0.232 0.000 1.110 333 L CA -0.115 54.594 54.840 -0.217 0.000 0.884 333 L CB 0.267 42.191 42.059 -0.224 0.000 1.115 333 L HN -0.084 nan 8.230 nan 0.000 0.481 334 V N 0.380 120.148 119.914 -0.243 0.000 2.270 334 V HA -0.170 3.891 4.120 -0.098 0.000 0.245 334 V C 2.634 178.621 176.094 -0.179 0.000 1.043 334 V CA 2.180 64.342 62.300 -0.229 0.000 1.014 334 V CB -1.144 30.563 31.823 -0.194 0.000 0.645 334 V HN 0.541 nan 8.190 nan 0.000 0.447 335 G N 0.864 109.586 108.800 -0.131 0.000 2.514 335 G HA2 -0.223 3.678 3.960 -0.098 0.000 0.217 335 G HA3 -0.223 3.678 3.960 -0.098 0.000 0.217 335 G C -0.174 174.668 174.900 -0.098 0.000 1.198 335 G CA 1.327 46.367 45.100 -0.101 0.000 0.780 335 G HN 0.514 nan 8.290 nan 0.000 0.565 336 P HA -0.090 nan 4.420 nan 0.000 0.216 336 P C 1.991 179.234 177.300 -0.095 0.000 1.150 336 P CA 0.611 63.663 63.100 -0.080 0.000 0.843 336 P CB -0.103 31.555 31.700 -0.071 0.000 0.787 337 L N -0.803 120.344 121.223 -0.127 0.000 2.056 337 L HA -0.100 4.181 4.340 -0.098 0.000 0.207 337 L C 2.147 178.941 176.870 -0.127 0.000 1.078 337 L CA 1.681 56.435 54.840 -0.142 0.000 0.749 337 L CB -1.156 40.787 42.059 -0.194 0.000 0.901 337 L HN -0.128 nan 8.230 nan 0.000 0.433 338 I N -0.322 120.165 120.570 -0.140 0.000 2.286 338 I HA -0.269 3.842 4.170 -0.098 0.000 0.248 338 I C 1.925 178.001 176.117 -0.069 0.000 1.115 338 I CA 1.228 62.460 61.300 -0.113 0.000 1.392 338 I CB -0.591 37.336 38.000 -0.122 0.000 1.065 338 I HN 0.268 nan 8.210 nan 0.000 0.418 339 D N 0.502 120.861 120.400 -0.067 0.000 2.178 339 D HA -0.133 4.448 4.640 -0.098 0.000 0.201 339 D C 2.183 178.455 176.300 -0.046 0.000 0.980 339 D CA 1.646 55.616 54.000 -0.050 0.000 0.842 339 D CB -0.121 40.651 40.800 -0.047 0.000 0.948 339 D HN 0.399 nan 8.370 nan 0.000 0.472 340 V N -2.557 117.321 119.914 -0.060 0.000 3.506 340 V HA 0.088 4.149 4.120 -0.098 0.000 0.263 340 V C 1.855 177.912 176.094 -0.063 0.000 1.203 340 V CA 0.278 62.537 62.300 -0.067 0.000 1.133 340 V CB -0.001 31.764 31.823 -0.096 0.000 0.802 340 V HN -0.058 nan 8.190 nan 0.000 0.459 341 M N 0.961 120.538 119.600 -0.038 0.000 2.506 341 M HA 0.324 4.746 4.480 -0.098 0.000 0.260 341 M C 1.642 177.950 176.300 0.013 0.000 1.104 341 M CA 1.120 56.421 55.300 0.002 0.000 1.112 341 M CB -0.881 31.778 32.600 0.099 0.000 1.401 341 M HN 0.709 nan 8.290 nan 0.000 0.473 342 G N 1.083 109.884 108.800 0.002 0.000 2.556 342 G HA2 -0.362 3.539 3.960 -0.098 0.000 0.283 342 G HA3 -0.362 3.539 3.960 -0.098 0.000 0.283 342 G C 0.837 175.750 174.900 0.022 0.000 1.177 342 G CA 1.266 46.370 45.100 0.006 0.000 0.978 342 G HN 0.474 nan 8.290 nan 0.000 0.554 343 S N 0.218 115.933 115.700 0.026 0.000 2.453 343 S HA 0.321 4.732 4.470 -0.098 0.000 0.231 343 S C 2.419 177.052 174.600 0.055 0.000 1.005 343 S CA 1.645 59.865 58.200 0.034 0.000 0.949 343 S CB -0.235 62.983 63.200 0.030 0.000 0.774 343 S HN 2.099 nan 8.310 nan 0.000 0.510 344 A N 0.873 123.731 122.820 0.063 0.000 2.235 344 A HA 0.485 4.746 4.320 -0.098 0.000 0.208 344 A C 1.817 179.528 177.584 0.213 0.000 1.172 344 A CA 0.613 52.705 52.037 0.092 0.000 0.786 344 A CB -0.847 18.177 19.000 0.040 0.000 0.804 344 A HN 0.649 nan 8.150 nan 0.000 0.479 345 G N -1.318 107.590 108.800 0.179 0.000 3.277 345 G HA2 0.235 4.136 3.960 -0.098 0.000 0.243 345 G HA3 0.235 4.136 3.960 -0.098 0.000 0.243 345 G C 0.929 175.865 174.900 0.061 0.000 1.107 345 G CA 0.483 45.695 45.100 0.186 0.000 0.771 345 G HN 0.419 nan 8.290 nan 0.000 0.544 346 E N 1.457 121.700 120.200 0.072 0.000 2.085 346 E HA -0.130 4.161 4.350 -0.098 0.000 0.194 346 E C 1.655 178.267 176.600 0.020 0.000 0.994 346 E CA 1.710 58.130 56.400 0.033 0.000 0.801 346 E CB 0.039 29.763 29.700 0.040 0.000 0.743 346 E HN 0.424 nan 8.360 nan 0.000 0.453 347 D N -0.623 119.813 120.400 0.059 0.000 2.219 347 D HA -0.115 4.466 4.640 -0.098 0.000 0.205 347 D C 1.638 177.917 176.300 -0.036 0.000 0.970 347 D CA 0.502 54.527 54.000 0.043 0.000 0.851 347 D CB -0.069 40.796 40.800 0.108 0.000 0.943 347 D HN 0.150 nan 8.370 nan 0.000 0.488 348 L N 0.864 122.010 121.223 -0.127 0.000 2.068 348 L HA -0.010 4.271 4.340 -0.098 0.000 0.204 348 L C 1.898 178.643 176.870 -0.209 0.000 1.076 348 L CA 1.714 56.359 54.840 -0.325 0.000 0.753 348 L CB -0.442 41.176 42.059 -0.735 0.000 0.910 348 L HN -0.184 nan 8.230 nan 0.000 0.439 349 K N -0.691 119.621 120.400 -0.147 0.000 2.103 349 K HA -0.199 4.063 4.320 -0.098 0.000 0.207 349 K C 2.275 178.831 176.600 -0.073 0.000 1.048 349 K CA 1.244 57.470 56.287 -0.102 0.000 0.930 349 K CB -0.106 32.352 32.500 -0.070 0.000 0.716 349 K HN 0.247 nan 8.250 nan 0.000 0.444 350 R N 0.192 120.658 120.500 -0.057 0.000 2.119 350 R HA -0.159 4.122 4.340 -0.098 0.000 0.246 350 R C 0.974 177.248 176.300 -0.044 0.000 1.146 350 R CA 1.871 57.948 56.100 -0.038 0.000 0.962 350 R CB -0.030 30.257 30.300 -0.022 0.000 0.863 350 R HN 0.409 nan 8.270 nan 0.000 0.442 351 Q N -0.585 119.177 119.800 -0.063 0.000 2.182 351 Q HA 0.044 4.325 4.340 -0.098 0.000 0.305 351 Q C 0.734 176.686 176.000 -0.080 0.000 0.880 351 Q CA -0.186 55.581 55.803 -0.061 0.000 1.131 351 Q CB 1.269 29.975 28.738 -0.053 0.000 1.237 351 Q HN 0.310 nan 8.270 nan 0.000 0.447 352 Q N 1.254 121.003 119.800 -0.085 0.000 2.112 352 Q HA -0.253 4.028 4.340 -0.098 0.000 0.206 352 Q C 1.789 177.748 176.000 -0.069 0.000 0.987 352 Q CA 2.024 57.772 55.803 -0.091 0.000 0.858 352 Q CB 0.053 28.744 28.738 -0.080 0.000 0.905 352 Q HN 0.517 nan 8.270 nan 0.000 0.420 353 A N 0.992 123.780 122.820 -0.053 0.000 1.855 353 A HA -0.236 4.025 4.320 -0.098 0.000 0.215 353 A C 2.061 179.613 177.584 -0.053 0.000 1.191 353 A CA 1.655 53.665 52.037 -0.046 0.000 0.613 353 A CB -0.648 18.330 19.000 -0.038 0.000 0.829 353 A HN 0.633 nan 8.150 nan 0.000 0.442 354 Q N -0.136 119.634 119.800 -0.050 0.000 2.172 354 Q HA -0.047 4.234 4.340 -0.098 0.000 0.200 354 Q C 2.032 178.000 176.000 -0.053 0.000 0.964 354 Q CA 1.616 57.391 55.803 -0.047 0.000 0.855 354 Q CB -1.157 27.560 28.738 -0.035 0.000 0.918 354 Q HN 0.389 nan 8.270 nan 0.000 0.444 355 V N 1.951 121.826 119.914 -0.067 0.000 2.515 355 V HA -0.216 3.845 4.120 -0.098 0.000 0.250 355 V C 2.139 178.189 176.094 -0.074 0.000 1.058 355 V CA 1.956 64.207 62.300 -0.081 0.000 1.064 355 V CB -0.465 31.282 31.823 -0.127 0.000 0.675 355 V HN 0.357 nan 8.190 nan 0.000 0.461 356 E N -0.385 119.776 120.200 -0.064 0.000 2.072 356 E HA -0.249 4.042 4.350 -0.098 0.000 0.190 356 E C 2.237 178.781 176.600 -0.093 0.000 0.982 356 E CA 1.137 57.518 56.400 -0.031 0.000 0.803 356 E CB -0.064 29.645 29.700 0.015 0.000 0.755 356 E HN 0.534 nan 8.360 nan 0.000 0.453 357 Q N 0.847 120.581 119.800 -0.109 0.000 2.079 357 Q HA -0.120 4.161 4.340 -0.098 0.000 0.200 357 Q C 2.037 177.983 176.000 -0.090 0.000 0.974 357 Q CA 1.309 57.032 55.803 -0.133 0.000 0.840 357 Q CB -0.146 28.534 28.738 -0.097 0.000 0.898 357 Q HN 0.085 nan 8.270 nan 0.000 0.430 358 V N 0.508 120.391 119.914 -0.051 0.000 2.343 358 V HA -0.249 3.812 4.120 -0.098 0.000 0.247 358 V C 2.306 178.401 176.094 0.001 0.000 1.051 358 V CA 1.729 64.017 62.300 -0.021 0.000 1.036 358 V CB -0.548 31.269 31.823 -0.010 0.000 0.654 358 V HN 0.392 nan 8.190 nan 0.000 0.451 359 L N -0.304 120.925 121.223 0.010 0.000 2.093 359 L HA -0.177 4.104 4.340 -0.098 0.000 0.208 359 L C 2.597 179.518 176.870 0.086 0.000 1.085 359 L CA 1.753 56.641 54.840 0.080 0.000 0.755 359 L CB -0.559 41.549 42.059 0.081 0.000 0.904 359 L HN 0.318 nan 8.230 nan 0.000 0.435 360 K N -0.200 120.191 120.400 -0.015 0.000 2.026 360 K HA -0.166 4.095 4.320 -0.098 0.000 0.208 360 K C 1.958 178.539 176.600 -0.032 0.000 1.048 360 K CA 1.918 58.147 56.287 -0.097 0.000 0.929 360 K CB -0.029 32.181 32.500 -0.483 0.000 0.713 360 K HN 0.202 nan 8.250 nan 0.000 0.439 361 T N 1.270 115.801 114.554 -0.039 0.000 2.821 361 T HA -0.084 4.207 4.350 -0.098 0.000 0.267 361 T C 1.616 176.336 174.700 0.034 0.000 1.046 361 T CA 0.914 63.010 62.100 -0.007 0.000 1.139 361 T CB -0.066 68.793 68.868 -0.015 0.000 0.871 361 T HN 0.252 nan 8.240 nan 0.000 0.454 362 E N 1.192 121.417 120.200 0.042 0.000 2.072 362 E HA -0.101 4.190 4.350 -0.098 0.000 0.190 362 E C 2.211 178.866 176.600 0.091 0.000 0.982 362 E CA 0.941 57.373 56.400 0.053 0.000 0.803 362 E CB -0.133 29.587 29.700 0.034 0.000 0.755 362 E HN 0.659 nan 8.360 nan 0.000 0.453 363 E N 0.469 120.732 120.200 0.104 0.000 2.152 363 E HA -0.167 4.124 4.350 -0.098 0.000 0.192 363 E C 1.861 178.559 176.600 0.163 0.000 0.983 363 E CA 0.811 57.298 56.400 0.145 0.000 0.818 363 E CB 0.081 29.851 29.700 0.116 0.000 0.758 363 E HN 0.198 nan 8.360 nan 0.000 0.467 364 E N 0.187 120.458 120.200 0.117 0.000 2.047 364 E HA -0.168 4.123 4.350 -0.098 0.000 0.191 364 E C 1.968 178.626 176.600 0.097 0.000 0.987 364 E CA 1.132 57.589 56.400 0.095 0.000 0.799 364 E CB 0.140 29.874 29.700 0.056 0.000 0.752 364 E HN 0.316 nan 8.360 nan 0.000 0.449 365 Q N -0.945 118.920 119.800 0.108 0.000 2.451 365 Q HA -0.058 4.223 4.340 -0.098 0.000 0.206 365 Q C 1.285 177.393 176.000 0.181 0.000 0.947 365 Q CA 0.164 56.033 55.803 0.111 0.000 0.937 365 Q CB 0.223 29.014 28.738 0.088 0.000 1.025 365 Q HN 0.247 nan 8.270 nan 0.000 0.511 366 F N 0.304 120.274 119.950 0.033 0.000 2.530 366 F HA 0.250 4.718 4.527 -0.099 0.000 0.292 366 F C 1.912 177.749 175.800 0.062 0.000 1.109 366 F CA 0.491 58.512 58.000 0.035 0.000 1.450 366 F CB -0.090 38.903 39.000 -0.011 0.000 1.114 366 F HN -0.055 nan 8.300 nan 0.000 0.560 367 A N 0.863 123.664 122.820 -0.032 0.000 2.070 367 A HA -0.155 4.106 4.320 -0.098 0.000 0.220 367 A C 2.250 179.787 177.584 -0.078 0.000 1.159 367 A CA 1.337 53.315 52.037 -0.097 0.000 0.656 367 A CB -0.690 18.323 19.000 0.022 0.000 0.800 367 A HN 0.455 nan 8.150 nan 0.000 0.453 368 R N -0.538 119.946 120.500 -0.027 0.000 2.096 368 R HA -0.094 4.187 4.340 -0.098 0.000 0.235 368 R C 1.859 178.165 176.300 0.009 0.000 1.127 368 R CA 1.847 57.949 56.100 0.003 0.000 0.968 368 R CB -0.453 29.863 30.300 0.028 0.000 0.861 368 R HN 0.687 nan 8.270 nan 0.000 0.440 369 T N -2.159 112.392 114.554 -0.005 0.000 3.044 369 T HA 0.133 4.424 4.350 -0.098 0.000 0.260 369 T C 1.485 176.258 174.700 0.122 0.000 1.019 369 T CA -0.325 61.855 62.100 0.134 0.000 0.921 369 T CB 0.233 69.243 68.868 0.236 0.000 1.053 369 T HN 0.000 nan 8.240 nan 0.000 0.533 370 L N 1.908 123.012 121.223 -0.199 0.000 2.005 370 L HA 0.159 4.440 4.340 -0.098 0.000 0.207 370 L C 2.286 179.165 176.870 0.015 0.000 1.072 370 L CA 1.930 56.613 54.840 -0.261 0.000 0.744 370 L CB -0.622 41.102 42.059 -0.559 0.000 0.895 370 L HN 0.207 nan 8.230 nan 0.000 0.433 371 E N -0.873 119.310 120.200 -0.027 0.000 2.076 371 E HA -0.142 4.149 4.350 -0.098 0.000 0.190 371 E C 2.259 178.836 176.600 -0.037 0.000 0.979 371 E CA 0.868 57.258 56.400 -0.017 0.000 0.807 371 E CB -0.059 29.631 29.700 -0.016 0.000 0.761 371 E HN 0.390 nan 8.360 nan 0.000 0.454 372 R N 0.044 120.535 120.500 -0.014 0.000 2.152 372 R HA -0.075 4.206 4.340 -0.098 0.000 0.232 372 R C 2.300 178.401 176.300 -0.330 0.000 1.117 372 R CA 1.147 57.226 56.100 -0.035 0.000 0.981 372 R CB -0.276 30.122 30.300 0.163 0.000 0.870 372 R HN 0.183 nan 8.270 nan 0.000 0.451 373 G N 0.524 109.063 108.800 -0.435 0.000 2.395 373 G HA2 -0.170 3.731 3.960 -0.098 0.000 0.214 373 G HA3 -0.170 3.731 3.960 -0.098 0.000 0.214 373 G C 1.352 175.893 174.900 -0.599 0.000 1.177 373 G CA 0.150 44.647 45.100 -1.005 0.000 0.794 373 G HN 0.124 nan 8.290 nan 0.000 0.532 374 L N 0.733 121.863 121.223 -0.154 0.000 2.191 374 L HA -0.025 4.256 4.340 -0.098 0.000 0.212 374 L C 3.301 180.106 176.870 -0.110 0.000 1.103 374 L CA 0.781 55.597 54.840 -0.041 0.000 0.769 374 L CB -0.236 41.851 42.059 0.047 0.000 0.908 374 L HN 0.326 nan 8.230 nan 0.000 0.438 375 A N -0.236 122.497 122.820 -0.146 0.000 1.872 375 A HA -0.154 4.107 4.320 -0.098 0.000 0.214 375 A C 2.213 179.701 177.584 -0.161 0.000 1.187 375 A CA 0.904 52.868 52.037 -0.123 0.000 0.614 375 A CB -0.570 18.372 19.000 -0.097 0.000 0.826 375 A HN 0.255 nan 8.150 nan 0.000 0.442 376 L N -0.471 120.585 121.223 -0.278 0.000 2.042 376 L HA -0.166 4.115 4.340 -0.098 0.000 0.210 376 L C 2.430 179.172 176.870 -0.212 0.000 1.076 376 L CA 2.213 56.880 54.840 -0.288 0.000 0.749 376 L CB -1.000 40.731 42.059 -0.546 0.000 0.893 376 L HN 0.450 nan 8.230 nan 0.000 0.432 377 L N -0.082 121.001 121.223 -0.233 0.000 2.131 377 L HA -0.187 4.094 4.340 -0.098 0.000 0.210 377 L C 2.055 178.881 176.870 -0.074 0.000 1.092 377 L CA 1.719 56.479 54.840 -0.134 0.000 0.759 377 L CB -0.743 41.255 42.059 -0.101 0.000 0.903 377 L HN 0.206 nan 8.230 nan 0.000 0.435 378 D N -0.461 119.895 120.400 -0.074 0.000 2.117 378 D HA -0.159 4.422 4.640 -0.098 0.000 0.198 378 D C 2.109 178.385 176.300 -0.040 0.000 0.982 378 D CA 1.065 55.038 54.000 -0.046 0.000 0.828 378 D CB 0.068 40.842 40.800 -0.043 0.000 0.967 378 D HN 0.461 nan 8.370 nan 0.000 0.464 379 E N 0.342 120.512 120.200 -0.050 0.000 2.058 379 E HA -0.168 4.123 4.350 -0.098 0.000 0.194 379 E C 1.730 178.315 176.600 -0.025 0.000 0.997 379 E CA 0.839 57.218 56.400 -0.035 0.000 0.801 379 E CB 0.135 29.812 29.700 -0.040 0.000 0.746 379 E HN 0.280 nan 8.360 nan 0.000 0.450 380 E N 0.221 120.402 120.200 -0.031 0.000 2.285 380 E HA -0.064 4.227 4.350 -0.098 0.000 0.194 380 E C 2.128 178.724 176.600 -0.006 0.000 0.997 380 E CA 0.311 56.702 56.400 -0.014 0.000 0.845 380 E CB 0.048 29.740 29.700 -0.014 0.000 0.782 380 E HN 0.321 nan 8.360 nan 0.000 0.491 381 L N 0.248 121.464 121.223 -0.011 0.000 2.395 381 L HA -0.009 4.272 4.340 -0.098 0.000 0.218 381 L C 2.260 179.128 176.870 -0.003 0.000 1.130 381 L CA 0.646 55.483 54.840 -0.004 0.000 0.826 381 L CB -0.229 41.826 42.059 -0.006 0.000 0.941 381 L HN 0.032 nan 8.230 nan 0.000 0.451 382 A N 0.052 122.869 122.820 -0.006 0.000 1.935 382 A HA -0.078 4.183 4.320 -0.098 0.000 0.214 382 A C 1.980 179.564 177.584 -0.000 0.000 1.178 382 A CA 0.634 52.669 52.037 -0.004 0.000 0.640 382 A CB -0.100 18.895 19.000 -0.007 0.000 0.825 382 A HN 0.261 nan 8.150 nan 0.000 0.447 383 K N -0.692 119.708 120.400 0.001 0.000 2.611 383 K HA 0.121 4.382 4.320 -0.098 0.000 0.193 383 K C -0.650 175.954 176.600 0.008 0.000 1.026 383 K CA -0.044 56.246 56.287 0.005 0.000 1.063 383 K CB -0.280 32.224 32.500 0.007 0.000 0.839 383 K HN 0.277 nan 8.250 nan 0.000 0.505 384 L N 1.018 122.245 121.223 0.007 0.000 2.287 384 L HA 0.160 4.441 4.340 -0.098 0.000 0.287 384 L C -0.289 176.586 176.870 0.008 0.000 1.022 384 L CA -0.211 54.634 54.840 0.009 0.000 0.814 384 L CB 1.629 43.694 42.059 0.010 0.000 1.217 384 L HN -0.135 nan 8.230 nan 0.000 0.420 385 S N 3.848 119.554 115.700 0.009 0.000 2.545 385 S HA 0.705 5.116 4.470 -0.098 0.000 0.275 385 S C 0.531 175.136 174.600 0.008 0.000 1.299 385 S CA 0.374 58.578 58.200 0.008 0.000 1.048 385 S CB 0.209 63.413 63.200 0.008 0.000 0.938 385 S HN 1.371 nan 8.310 nan 0.000 0.496 386 G N 4.375 113.179 108.800 0.007 0.000 2.601 386 G HA2 -0.242 3.659 3.960 -0.098 0.000 0.252 386 G HA3 -0.242 3.659 3.960 -0.098 0.000 0.252 386 G C -0.196 174.708 174.900 0.008 0.000 1.294 386 G CA 0.342 45.447 45.100 0.007 0.000 0.912 386 G HN 0.986 nan 8.290 nan 0.000 0.574 387 D N -1.030 119.375 120.400 0.008 0.000 2.440 387 D HA 0.324 4.905 4.640 -0.098 0.000 0.216 387 D C 0.653 176.959 176.300 0.010 0.000 1.150 387 D CA 0.583 54.588 54.000 0.008 0.000 0.832 387 D CB 0.257 41.060 40.800 0.006 0.000 0.992 387 D HN 0.474 nan 8.370 nan 0.000 0.502 388 T N 1.405 115.968 114.554 0.014 0.000 2.791 388 T HA 0.357 4.648 4.350 -0.098 0.000 0.288 388 T C -0.386 174.328 174.700 0.024 0.000 0.999 388 T CA -0.678 61.433 62.100 0.018 0.000 0.952 388 T CB 1.654 70.533 68.868 0.019 0.000 0.938 388 T HN 0.038 nan 8.240 nan 0.000 0.444 389 L N 5.301 126.541 121.223 0.027 0.000 2.416 389 L HA 0.295 4.576 4.340 -0.098 0.000 0.272 389 L C 0.389 177.289 176.870 0.050 0.000 1.161 389 L CA -0.333 54.528 54.840 0.035 0.000 0.845 389 L CB 0.348 42.427 42.059 0.035 0.000 1.119 389 L HN 0.617 nan 8.230 nan 0.000 0.464 390 D N 3.013 123.447 120.400 0.057 0.000 2.382 390 D HA 0.031 4.612 4.640 -0.098 0.000 0.240 390 D C 0.927 177.295 176.300 0.113 0.000 1.146 390 D CA 0.232 54.276 54.000 0.073 0.000 0.897 390 D CB 0.987 41.827 40.800 0.066 0.000 1.197 390 D HN 0.691 nan 8.370 nan 0.000 0.432 391 G N 0.801 109.682 108.800 0.135 0.000 2.448 391 G HA2 -0.234 3.667 3.960 -0.098 0.000 0.218 391 G HA3 -0.234 3.667 3.960 -0.098 0.000 0.218 391 G C 1.191 176.263 174.900 0.287 0.000 1.135 391 G CA 0.203 45.439 45.100 0.227 0.000 0.784 391 G HN 0.608 nan 8.290 nan 0.000 0.543 392 E N 0.774 121.091 120.200 0.196 0.000 2.150 392 E HA -0.091 4.200 4.350 -0.098 0.000 0.193 392 E C 2.236 179.007 176.600 0.285 0.000 0.985 392 E CA 1.284 57.823 56.400 0.232 0.000 0.814 392 E CB -1.018 28.763 29.700 0.135 0.000 0.752 392 E HN 0.273 nan 8.360 nan 0.000 0.466 393 T N 1.631 116.302 114.554 0.195 0.000 2.777 393 T HA -0.005 4.286 4.350 -0.098 0.000 0.266 393 T C 2.054 176.858 174.700 0.174 0.000 1.040 393 T CA 1.585 63.772 62.100 0.145 0.000 1.141 393 T CB -0.267 68.648 68.868 0.079 0.000 0.868 393 T HN 0.369 nan 8.240 nan 0.000 0.444 394 A N 1.181 124.130 122.820 0.215 0.000 1.908 394 A HA -0.078 4.183 4.320 -0.098 0.000 0.218 394 A C 2.014 179.832 177.584 0.391 0.000 1.181 394 A CA 1.573 53.738 52.037 0.214 0.000 0.627 394 A CB -0.973 18.111 19.000 0.140 0.000 0.818 394 A HN 0.524 nan 8.150 nan 0.000 0.445 395 F N 0.634 120.857 119.950 0.456 0.000 2.102 395 F HA -0.135 4.333 4.527 -0.098 0.000 0.298 395 F C 2.327 178.377 175.800 0.418 0.000 1.105 395 F CA 1.844 60.173 58.000 0.548 0.000 1.239 395 F CB -0.297 38.877 39.000 0.290 0.000 0.991 395 F HN 0.110 nan 8.300 nan 0.000 0.474 396 R N 0.308 120.875 120.500 0.112 0.000 2.081 396 R HA -0.122 4.159 4.340 -0.098 0.000 0.235 396 R C 2.335 178.669 176.300 0.056 0.000 1.131 396 R CA 1.802 57.886 56.100 -0.027 0.000 0.960 396 R CB -0.707 29.666 30.300 0.122 0.000 0.856 396 R HN 0.372 nan 8.270 nan 0.000 0.436 397 L N -0.459 120.817 121.223 0.089 0.000 2.131 397 L HA -0.224 4.057 4.340 -0.098 0.000 0.210 397 L C 2.370 179.375 176.870 0.226 0.000 1.092 397 L CA 1.252 56.105 54.840 0.022 0.000 0.759 397 L CB -0.407 41.569 42.059 -0.139 0.000 0.903 397 L HN 0.252 nan 8.230 nan 0.000 0.435 398 Y N 0.606 120.980 120.300 0.123 0.000 2.176 398 Y HA -0.243 4.248 4.550 -0.098 0.000 0.291 398 Y C 2.292 178.228 175.900 0.060 0.000 1.122 398 Y CA 1.889 60.093 58.100 0.174 0.000 1.128 398 Y CB -0.187 38.419 38.460 0.243 0.000 1.005 398 Y HN 0.149 nan 8.280 nan 0.000 0.509 399 D N -1.007 119.260 120.400 -0.222 0.000 2.144 399 D HA -0.117 4.464 4.640 -0.098 0.000 0.200 399 D C 1.704 177.838 176.300 -0.278 0.000 0.978 399 D CA 2.032 55.785 54.000 -0.412 0.000 0.833 399 D CB 0.017 40.376 40.800 -0.735 0.000 0.961 399 D HN 0.437 nan 8.370 nan 0.000 0.470 400 T N -1.810 112.621 114.554 -0.206 0.000 3.046 400 T HA 0.045 4.336 4.350 -0.098 0.000 0.242 400 T C 0.914 175.420 174.700 -0.324 0.000 1.018 400 T CA 0.342 62.273 62.100 -0.281 0.000 1.131 400 T CB -0.171 68.479 68.868 -0.364 0.000 0.904 400 T HN 0.152 nan 8.240 nan 0.000 0.459 401 Y N 0.945 121.225 120.300 -0.034 0.000 2.458 401 Y HA 0.435 4.926 4.550 -0.098 0.000 0.256 401 Y C 1.710 177.825 175.900 0.358 0.000 1.159 401 Y CA -0.394 57.753 58.100 0.077 0.000 1.261 401 Y CB 0.159 38.530 38.460 -0.149 0.000 1.119 401 Y HN 0.319 nan 8.280 nan 0.000 0.524 402 G N 0.476 109.471 108.800 0.324 0.000 2.249 402 G HA2 -0.326 3.576 3.960 -0.098 0.000 0.273 402 G HA3 -0.326 3.576 3.960 -0.098 0.000 0.273 402 G C -0.387 174.809 174.900 0.493 0.000 1.036 402 G CA -0.226 45.053 45.100 0.298 0.000 0.824 402 G HN 0.193 nan 8.290 nan 0.000 0.504 403 F N 2.107 122.212 119.950 0.260 0.000 2.375 403 F HA 0.372 4.840 4.527 -0.098 0.000 0.362 403 F C -1.247 174.711 175.800 0.264 0.000 1.129 403 F CA -3.014 55.146 58.000 0.267 0.000 1.154 403 F CB 1.135 40.275 39.000 0.233 0.000 1.205 403 F HN -0.043 nan 8.300 nan 0.000 0.513 404 P HA -0.071 nan 4.420 nan 0.000 0.264 404 P C 1.014 178.411 177.300 0.161 0.000 1.193 404 P CA 0.300 63.575 63.100 0.292 0.000 0.763 404 P CB 1.430 33.156 31.700 0.044 0.000 0.810 405 V N 3.455 123.390 119.914 0.034 0.000 2.568 405 V HA -0.244 3.817 4.120 -0.098 0.000 0.253 405 V C 1.691 177.743 176.094 -0.070 0.000 1.072 405 V CA 2.533 64.743 62.300 -0.149 0.000 1.084 405 V CB -1.078 30.349 31.823 -0.661 0.000 0.676 405 V HN 0.582 nan 8.190 nan 0.000 0.469 406 D N 0.035 120.416 120.400 -0.031 0.000 2.219 406 D HA -0.192 4.389 4.640 -0.098 0.000 0.205 406 D C 2.100 178.413 176.300 0.021 0.000 0.970 406 D CA 1.493 55.491 54.000 -0.004 0.000 0.851 406 D CB -0.280 40.527 40.800 0.011 0.000 0.943 406 D HN 0.549 nan 8.370 nan 0.000 0.488 407 L N 1.508 122.743 121.223 0.020 0.000 2.027 407 L HA -0.080 4.201 4.340 -0.098 0.000 0.206 407 L C 2.239 179.152 176.870 0.072 0.000 1.074 407 L CA 1.920 56.771 54.840 0.018 0.000 0.745 407 L CB -1.151 40.869 42.059 -0.065 0.000 0.898 407 L HN -0.078 nan 8.230 nan 0.000 0.433 408 T N 0.340 114.975 114.554 0.135 0.000 2.684 408 T HA -0.213 4.078 4.350 -0.098 0.000 0.267 408 T C 1.915 176.664 174.700 0.083 0.000 1.036 408 T CA 1.652 63.854 62.100 0.170 0.000 1.148 408 T CB -0.681 68.287 68.868 0.167 0.000 0.863 408 T HN 0.552 nan 8.240 nan 0.000 0.436 409 A N 1.393 124.238 122.820 0.043 0.000 1.972 409 A HA -0.160 4.101 4.320 -0.098 0.000 0.219 409 A C 2.103 179.707 177.584 0.034 0.000 1.169 409 A CA 2.040 54.091 52.037 0.024 0.000 0.635 409 A CB -0.747 18.254 19.000 0.001 0.000 0.810 409 A HN 0.503 nan 8.150 nan 0.000 0.446 410 D N -0.638 119.792 120.400 0.050 0.000 2.178 410 D HA -0.085 4.496 4.640 -0.098 0.000 0.202 410 D C 1.744 178.076 176.300 0.054 0.000 0.974 410 D CA 1.326 55.369 54.000 0.073 0.000 0.841 410 D CB 0.003 40.869 40.800 0.109 0.000 0.953 410 D HN 0.184 nan 8.370 nan 0.000 0.478 411 V N -0.241 119.696 119.914 0.038 0.000 2.323 411 V HA -0.222 3.839 4.120 -0.098 0.000 0.244 411 V C 2.748 178.857 176.094 0.025 0.000 1.041 411 V CA 1.417 63.729 62.300 0.019 0.000 1.025 411 V CB -0.568 31.282 31.823 0.044 0.000 0.656 411 V HN 0.390 nan 8.190 nan 0.000 0.451 412 C N 0.020 119.339 119.300 0.032 0.000 2.413 412 C HA -0.156 4.246 4.460 -0.098 0.000 0.277 412 C C 2.912 177.915 174.990 0.021 0.000 1.265 412 C CA 1.258 60.290 59.018 0.023 0.000 1.752 412 C CB -1.152 26.601 27.740 0.022 0.000 1.998 412 C HN 0.610 nan 8.230 nan 0.000 0.489 413 R N 1.694 122.208 120.500 0.024 0.000 2.112 413 R HA -0.215 4.066 4.340 -0.098 0.000 0.242 413 R C 1.917 178.245 176.300 0.046 0.000 1.137 413 R CA 2.193 58.305 56.100 0.021 0.000 0.944 413 R CB -0.476 29.841 30.300 0.027 0.000 0.857 413 R HN 0.626 nan 8.270 nan 0.000 0.435 414 E N -0.727 119.512 120.200 0.066 0.000 2.204 414 E HA -0.146 4.145 4.350 -0.098 0.000 0.194 414 E C 1.810 178.434 176.600 0.040 0.000 0.989 414 E CA 0.909 57.352 56.400 0.072 0.000 0.824 414 E CB 0.035 29.763 29.700 0.046 0.000 0.756 414 E HN 0.305 nan 8.360 nan 0.000 0.477 415 R N 0.193 120.708 120.500 0.025 0.000 2.393 415 R HA 0.120 4.401 4.340 -0.098 0.000 0.244 415 R C -0.098 176.211 176.300 0.015 0.000 0.920 415 R CA 0.048 56.157 56.100 0.016 0.000 1.076 415 R CB 0.051 30.357 30.300 0.009 0.000 1.119 415 R HN 0.119 nan 8.270 nan 0.000 0.524 416 N N 0.235 118.945 118.700 0.017 0.000 2.815 416 N HA -0.160 4.521 4.740 -0.098 0.000 0.248 416 N C -1.264 174.249 175.510 0.006 0.000 1.110 416 N CA 0.068 53.123 53.050 0.009 0.000 0.699 416 N CB -0.504 37.989 38.487 0.010 0.000 1.040 416 N HN 0.130 nan 8.380 nan 0.000 0.555 417 I N 0.816 121.390 120.570 0.007 0.000 2.465 417 I HA 0.300 4.411 4.170 -0.098 0.000 0.291 417 I C 0.251 176.372 176.117 0.006 0.000 1.014 417 I CA -0.764 60.540 61.300 0.007 0.000 1.093 417 I CB 1.724 39.731 38.000 0.011 0.000 1.267 417 I HN 0.016 nan 8.210 nan 0.000 0.431 418 K N 3.843 124.247 120.400 0.006 0.000 2.107 418 K HA 0.584 4.845 4.320 -0.098 0.000 0.251 418 K C -0.916 175.692 176.600 0.013 0.000 1.012 418 K CA -0.635 55.655 56.287 0.005 0.000 0.920 418 K CB 1.805 34.307 32.500 0.003 0.000 1.033 418 K HN 0.252 nan 8.250 nan 0.000 0.478 419 V N 1.731 121.653 119.914 0.013 0.000 2.435 419 V HA 0.015 4.076 4.120 -0.098 0.000 0.290 419 V C -0.441 175.674 176.094 0.034 0.000 1.030 419 V CA -0.681 61.632 62.300 0.023 0.000 0.881 419 V CB 1.527 33.355 31.823 0.008 0.000 0.983 419 V HN 0.694 nan 8.190 nan 0.000 0.445 420 D N 3.702 124.133 120.400 0.053 0.000 2.398 420 D HA 0.016 4.597 4.640 -0.098 0.000 0.250 420 D C 1.174 177.533 176.300 0.097 0.000 1.287 420 D CA 0.279 54.318 54.000 0.064 0.000 0.992 420 D CB 0.673 41.512 40.800 0.066 0.000 1.071 420 D HN 0.535 nan 8.370 nan 0.000 0.514 421 E N 3.045 123.294 120.200 0.082 0.000 2.031 421 E HA -0.196 4.095 4.350 -0.098 0.000 0.193 421 E C 1.704 178.391 176.600 0.144 0.000 0.994 421 E CA 1.100 57.569 56.400 0.116 0.000 0.800 421 E CB -0.151 29.593 29.700 0.073 0.000 0.752 421 E HN 0.585 nan 8.360 nan 0.000 0.447 422 A N 0.544 123.415 122.820 0.084 0.000 1.940 422 A HA -0.135 4.127 4.320 -0.098 0.000 0.219 422 A C 2.455 180.068 177.584 0.049 0.000 1.176 422 A CA 2.091 54.161 52.037 0.055 0.000 0.631 422 A CB -1.066 17.952 19.000 0.031 0.000 0.814 422 A HN 0.385 nan 8.150 nan 0.000 0.446 423 G N -1.382 107.461 108.800 0.071 0.000 2.418 423 G HA2 -0.207 3.694 3.960 -0.098 0.000 0.217 423 G HA3 -0.207 3.694 3.960 -0.098 0.000 0.217 423 G C 1.479 176.428 174.900 0.081 0.000 1.158 423 G CA 1.058 46.195 45.100 0.061 0.000 0.771 423 G HN 0.562 nan 8.290 nan 0.000 0.545 424 F N 1.565 121.522 119.950 0.011 0.000 2.134 424 F HA -0.047 4.422 4.527 -0.098 0.000 0.299 424 F C 2.661 178.448 175.800 -0.022 0.000 1.097 424 F CA 1.771 59.786 58.000 0.025 0.000 1.264 424 F CB 0.172 39.194 39.000 0.037 0.000 1.001 424 F HN 0.065 nan 8.300 nan 0.000 0.479 425 E N 0.891 121.017 120.200 -0.124 0.000 2.106 425 E HA -0.177 4.114 4.350 -0.098 0.000 0.192 425 E C 2.421 178.874 176.600 -0.244 0.000 0.984 425 E CA 1.113 57.371 56.400 -0.236 0.000 0.806 425 E CB -0.895 28.776 29.700 -0.048 0.000 0.750 425 E HN 0.536 nan 8.360 nan 0.000 0.458 426 A N 1.640 124.366 122.820 -0.157 0.000 1.902 426 A HA -0.084 4.177 4.320 -0.098 0.000 0.217 426 A C 2.442 179.884 177.584 -0.235 0.000 1.181 426 A CA 2.087 54.035 52.037 -0.149 0.000 0.623 426 A CB -0.581 18.367 19.000 -0.085 0.000 0.818 426 A HN 0.270 nan 8.150 nan 0.000 0.443 427 A N -0.987 121.654 122.820 -0.298 0.000 1.902 427 A HA -0.106 4.155 4.320 -0.098 0.000 0.217 427 A C 2.204 179.338 177.584 -0.749 0.000 1.181 427 A CA 1.907 53.662 52.037 -0.469 0.000 0.623 427 A CB -0.485 18.282 19.000 -0.388 0.000 0.818 427 A HN 0.418 nan 8.150 nan 0.000 0.443 428 M N -0.799 118.357 119.600 -0.739 0.000 2.080 428 M HA -0.157 4.264 4.480 -0.098 0.000 0.260 428 M C 2.087 178.166 176.300 -0.369 0.000 1.068 428 M CA 2.160 57.099 55.300 -0.602 0.000 1.109 428 M CB -1.105 31.156 32.600 -0.564 0.000 1.342 428 M HN 0.604 nan 8.290 nan 0.000 0.405 429 E N 0.523 120.547 120.200 -0.293 0.000 2.006 429 E HA -0.145 4.146 4.350 -0.098 0.000 0.192 429 E C 2.038 178.536 176.600 -0.169 0.000 0.993 429 E CA 2.510 58.799 56.400 -0.184 0.000 0.808 429 E CB -0.392 29.224 29.700 -0.141 0.000 0.764 429 E HN 0.463 nan 8.360 nan 0.000 0.449 430 E N 0.645 120.737 120.200 -0.180 0.000 2.033 430 E HA -0.315 3.976 4.350 -0.098 0.000 0.199 430 E C 2.027 178.532 176.600 -0.158 0.000 1.011 430 E CA 1.942 58.257 56.400 -0.141 0.000 0.815 430 E CB -1.165 28.454 29.700 -0.136 0.000 0.755 430 E HN 0.366 nan 8.360 nan 0.000 0.451 431 Q N -0.525 119.119 119.800 -0.260 0.000 2.030 431 Q HA -0.142 4.139 4.340 -0.098 0.000 0.204 431 Q C 2.252 178.168 176.000 -0.140 0.000 0.986 431 Q CA 2.380 58.030 55.803 -0.254 0.000 0.843 431 Q CB 0.007 28.402 28.738 -0.572 0.000 0.904 431 Q HN 0.333 nan 8.270 nan 0.000 0.420 432 R N -0.788 119.621 120.500 -0.152 0.000 2.254 432 R HA 0.265 4.546 4.340 -0.098 0.000 0.193 432 R C 1.814 178.106 176.300 -0.013 0.000 0.929 432 R CA 0.549 56.632 56.100 -0.029 0.000 1.038 432 R CB 0.145 30.459 30.300 0.023 0.000 1.009 432 R HN 0.263 nan 8.270 nan 0.000 0.512 433 R N -0.014 120.457 120.500 -0.049 0.000 2.127 433 R HA 0.166 4.447 4.340 -0.098 0.000 0.217 433 R C 0.347 176.633 176.300 -0.023 0.000 1.074 433 R CA 0.407 56.488 56.100 -0.031 0.000 0.991 433 R CB 0.209 30.482 30.300 -0.046 0.000 0.895 433 R HN -0.085 nan 8.270 nan 0.000 0.450 434 R N 1.861 122.342 120.500 -0.032 0.000 4.390 434 R HA 0.291 4.572 4.340 -0.098 0.000 0.229 434 R C -0.517 175.777 176.300 -0.011 0.000 1.674 434 R CA -0.183 55.904 56.100 -0.022 0.000 1.526 434 R CB 0.700 30.982 30.300 -0.030 0.000 1.418 434 R HN 0.021 nan 8.270 nan 0.000 0.790 435 A N 1.430 124.250 122.820 -0.000 0.000 2.492 435 A HA 0.405 4.666 4.320 -0.098 0.000 0.254 435 A C 0.702 178.286 177.584 0.001 0.000 1.091 435 A CA -0.247 51.793 52.037 0.006 0.000 0.768 435 A CB 0.123 19.130 19.000 0.012 0.000 1.028 435 A HN 0.714 nan 8.150 nan 0.000 0.498 436 R N 1.143 121.643 120.500 0.001 0.000 2.255 436 R HA 0.748 5.029 4.340 -0.098 0.000 0.326 436 R C 0.023 176.324 176.300 0.002 0.000 0.986 436 R CA 0.713 56.812 56.100 -0.001 0.000 0.847 436 R CB -0.248 30.051 30.300 -0.002 0.000 1.111 436 R HN 2.428 nan 8.270 nan 0.000 0.452 437 E N 0.000 120.201 120.200 0.002 0.000 2.725 437 E HA 0.000 4.291 4.350 -0.098 0.000 0.291 437 E CA 0.000 56.402 56.400 0.003 0.000 0.976 437 E CB 0.000 29.703 29.700 0.006 0.000 0.812 437 E HN 0.000 nan 8.360 nan 0.000 0.440