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 1nyq_1_A DATA FIRST_RESID 4 DATA SEQUENCE INIQFPDGNK KAFDKGTTTE DIAQSISPGL RKKAVAGKFN GQLVDLTKPL DATA SEQUENCE ETDGSIEIVT PGSEEALEVL RHSTAHLMAH AIKRLYGNVK FGVGPVIEGG DATA SEQUENCE FYYDFDIDQN ISSDDFEQIE KTMKQIVNEN MKIERKVVSR DEAKELFSND DATA SEQUENCE EYKLELIDAI PEDENVTLYS QGDFTDLCRG VHVPSTAKIK EFKLLSTAGA DATA SEQUENCE YWRGDSNNKM LQRIYGTAFF DKKELKAHLQ MLEERKERDH RKIGKELELF DATA SEQUENCE TNSQLVGAGL PLWLPNGATI RREIERYIVD KEVSMGYDHV YTPVLANVDL DATA SEQUENCE YKTSGHWDHY QEDMFPPMQL DETESMVLRP MNCPHHMMIY ANKPHSYREL DATA SEQUENCE PIRIAELGTM HRYEASGAVS GLQRVRGMTL NDSHIFVRPD QIKEEFKRVV DATA SEQUENCE NMIIDVYKDF GFEDYSFRLS YRDPEDKEKY FDDDDMWNKA ENMLKEAADE DATA SEQUENCE LGLSYEEAIG EAAFYGPKLD VQVKTAMGKE ETLSTAQLDF LLPERFDLTY DATA SEQUENCE IGQDGEHHRP VVIHRGVVST MERFVAFLTE ETKGAFPTWL APKQVQIIPV DATA SEQUENCE NVDLHYDYAR QLQDELKSQG VRVSIDDRNE KMGYKIREAQ MQKIPYQIVV DATA SEQUENCE GDKEVENNQV NVRQYGSQDQ ETVEKDEFIW NLVDEIRLKK HR 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.227 176.117 0.183 0.000 1.063 4 I CA 0.000 61.387 61.300 0.144 0.000 1.566 4 I CB 0.000 38.087 38.000 0.144 0.000 1.214 5 N N 3.783 122.572 118.700 0.148 0.000 2.000 5 N HA -0.065 4.674 4.740 -0.002 0.000 0.272 5 N C -0.496 175.129 175.510 0.191 0.000 1.342 5 N CA 0.868 54.008 53.050 0.150 0.000 1.082 5 N CB -0.005 38.542 38.487 0.100 0.000 1.491 5 N HN 0.660 nan 8.380 nan 0.000 0.473 6 I N 1.992 122.720 120.570 0.263 0.000 2.342 6 I HA 0.094 4.263 4.170 -0.002 0.000 0.291 6 I C 0.533 176.833 176.117 0.305 0.000 1.010 6 I CA -0.578 60.902 61.300 0.300 0.000 1.308 6 I CB 1.257 39.446 38.000 0.315 0.000 1.400 6 I HN 0.360 nan 8.210 nan 0.000 0.488 7 Q N 6.312 126.255 119.800 0.238 0.000 2.331 7 Q HA 0.316 4.655 4.340 -0.002 0.000 0.257 7 Q C -0.884 175.279 176.000 0.271 0.000 0.957 7 Q CA -0.570 55.366 55.803 0.221 0.000 0.923 7 Q CB 1.056 29.860 28.738 0.110 0.000 1.212 7 Q HN 0.366 nan 8.270 nan 0.000 0.443 8 F N 5.106 125.094 119.950 0.062 0.000 2.435 8 F HA 0.154 4.679 4.527 -0.002 0.000 0.316 8 F C -0.833 174.987 175.800 0.033 0.000 1.220 8 F CA -1.567 56.463 58.000 0.051 0.000 1.241 8 F CB 0.052 39.088 39.000 0.060 0.000 1.234 8 F HN 0.488 nan 8.300 nan 0.000 0.569 9 P HA -0.144 nan 4.420 nan 0.000 0.215 9 P C -0.069 177.281 177.300 0.082 0.000 1.153 9 P CA 1.549 64.666 63.100 0.029 0.000 0.853 9 P CB 0.150 31.837 31.700 -0.022 0.000 0.788 10 D N -0.229 120.257 120.400 0.143 0.000 2.496 10 D HA 0.224 4.863 4.640 -0.002 0.000 0.283 10 D C 0.996 177.359 176.300 0.105 0.000 1.214 10 D CA -0.302 53.763 54.000 0.108 0.000 1.089 10 D CB -0.364 40.502 40.800 0.111 0.000 1.141 10 D HN -0.068 nan 8.370 nan 0.000 0.580 11 G N 0.043 108.888 108.800 0.075 0.000 3.209 11 G HA2 0.380 4.338 3.960 -0.002 0.000 0.274 11 G HA3 0.380 4.338 3.960 -0.002 0.000 0.274 11 G C -0.620 174.314 174.900 0.057 0.000 0.850 11 G CA -0.335 44.800 45.100 0.060 0.000 1.907 11 G HN 0.404 nan 8.290 nan 0.000 0.591 12 N N 0.008 118.757 118.700 0.082 0.000 2.598 12 N HA 0.516 5.255 4.740 -0.002 0.000 0.263 12 N C -1.227 174.332 175.510 0.081 0.000 1.254 12 N CA -0.949 52.129 53.050 0.047 0.000 0.863 12 N CB 1.825 40.309 38.487 -0.005 0.000 1.586 12 N HN 0.102 nan 8.380 nan 0.000 0.491 13 K N 0.396 120.819 120.400 0.039 0.000 2.426 13 K HA 0.566 4.885 4.320 -0.002 0.000 0.251 13 K C -1.264 175.359 176.600 0.038 0.000 0.941 13 K CA -1.044 55.293 56.287 0.084 0.000 0.808 13 K CB 2.031 34.578 32.500 0.079 0.000 1.265 13 K HN 0.327 nan 8.250 nan 0.000 0.432 14 K N 1.011 121.484 120.400 0.121 0.000 2.482 14 K HA 0.410 4.729 4.320 -0.002 0.000 0.251 14 K C -1.254 175.463 176.600 0.195 0.000 0.936 14 K CA -0.704 55.645 56.287 0.102 0.000 0.791 14 K CB 2.216 34.819 32.500 0.172 0.000 1.213 14 K HN 0.780 nan 8.250 nan 0.000 0.428 15 A N 4.133 126.970 122.820 0.027 0.000 2.350 15 A HA 0.558 4.876 4.320 -0.002 0.000 0.293 15 A C -0.749 176.811 177.584 -0.040 0.000 1.231 15 A CA -0.082 51.981 52.037 0.043 0.000 0.883 15 A CB -0.372 18.620 19.000 -0.015 0.000 1.133 15 A HN 0.521 nan 8.150 nan 0.000 0.533 16 F N 0.349 120.321 119.950 0.036 0.000 2.509 16 F HA 0.324 4.850 4.527 -0.002 0.000 0.334 16 F C 0.496 176.308 175.800 0.020 0.000 1.060 16 F CA -0.475 57.542 58.000 0.029 0.000 0.997 16 F CB 1.433 40.459 39.000 0.044 0.000 1.271 16 F HN 0.575 nan 8.300 nan 0.000 0.488 17 D N 1.686 122.209 120.400 0.205 0.000 2.342 17 D HA 0.089 4.728 4.640 -0.002 0.000 0.260 17 D C -0.497 175.875 176.300 0.119 0.000 1.278 17 D CA -0.140 53.929 54.000 0.115 0.000 0.910 17 D CB 0.270 41.121 40.800 0.085 0.000 1.079 17 D HN 0.216 nan 8.370 nan 0.000 0.496 18 K N 2.540 122.994 120.400 0.090 0.000 2.548 18 K HA 0.073 4.392 4.320 -0.002 0.000 0.277 18 K C 0.925 177.551 176.600 0.042 0.000 1.001 18 K CA 1.111 57.438 56.287 0.066 0.000 1.102 18 K CB -0.027 32.505 32.500 0.053 0.000 0.848 18 K HN 0.581 nan 8.250 nan 0.000 0.487 19 G N 2.193 111.005 108.800 0.019 0.000 2.130 19 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.216 19 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.216 19 G C 0.197 175.088 174.900 -0.015 0.000 0.999 19 G CA 0.167 45.266 45.100 -0.002 0.000 0.686 19 G HN 0.817 nan 8.290 nan 0.000 0.515 20 T N 1.005 115.545 114.554 -0.023 0.000 2.849 20 T HA 0.629 4.978 4.350 -0.002 0.000 0.284 20 T C 0.916 175.544 174.700 -0.120 0.000 1.004 20 T CA 0.814 62.891 62.100 -0.039 0.000 1.021 20 T CB 1.133 69.991 68.868 -0.016 0.000 1.013 20 T HN 0.942 nan 8.240 nan 0.000 0.527 21 T N -1.535 112.950 114.554 -0.115 0.000 2.932 21 T HA 0.354 4.703 4.350 -0.002 0.000 0.289 21 T C 1.405 176.000 174.700 -0.176 0.000 1.039 21 T CA -0.821 61.195 62.100 -0.141 0.000 1.024 21 T CB 1.206 70.026 68.868 -0.080 0.000 1.090 21 T HN 0.388 nan 8.240 nan 0.000 0.496 22 T N 0.626 115.065 114.554 -0.191 0.000 2.737 22 T HA -0.165 4.184 4.350 -0.002 0.000 0.269 22 T C 1.680 176.308 174.700 -0.120 0.000 1.040 22 T CA 2.012 64.002 62.100 -0.183 0.000 1.142 22 T CB -0.458 68.324 68.868 -0.144 0.000 0.861 22 T HN 0.890 nan 8.240 nan 0.000 0.456 23 E N 1.077 121.229 120.200 -0.080 0.000 2.049 23 E HA -0.234 4.115 4.350 -0.002 0.000 0.198 23 E C 1.826 178.408 176.600 -0.029 0.000 1.007 23 E CA 1.675 58.049 56.400 -0.042 0.000 0.809 23 E CB -0.131 29.554 29.700 -0.026 0.000 0.749 23 E HN 0.387 nan 8.360 nan 0.000 0.450 24 D N 0.365 120.743 120.400 -0.036 0.000 2.104 24 D HA -0.178 4.461 4.640 -0.002 0.000 0.194 24 D C 2.170 178.485 176.300 0.026 0.000 0.994 24 D CA 1.427 55.431 54.000 0.006 0.000 0.830 24 D CB -0.235 40.571 40.800 0.011 0.000 0.959 24 D HN 0.352 nan 8.370 nan 0.000 0.452 25 I N 1.356 121.860 120.570 -0.111 0.000 2.179 25 I HA -0.267 3.902 4.170 -0.002 0.000 0.242 25 I C 2.607 178.744 176.117 0.034 0.000 1.088 25 I CA 1.059 62.243 61.300 -0.194 0.000 1.357 25 I CB -0.243 37.500 38.000 -0.429 0.000 1.051 25 I HN -0.081 nan 8.210 nan 0.000 0.409 26 A N 0.230 123.049 122.820 -0.001 0.000 1.877 26 A HA -0.302 4.017 4.320 -0.002 0.000 0.216 26 A C 2.244 179.868 177.584 0.066 0.000 1.186 26 A CA 2.072 54.130 52.037 0.035 0.000 0.620 26 A CB -0.676 18.320 19.000 -0.006 0.000 0.822 26 A HN 0.431 nan 8.150 nan 0.000 0.443 27 Q N 0.985 120.819 119.800 0.057 0.000 2.084 27 Q HA -0.160 4.178 4.340 -0.002 0.000 0.202 27 Q C 2.201 178.257 176.000 0.094 0.000 0.978 27 Q CA 2.682 58.523 55.803 0.062 0.000 0.844 27 Q CB -0.669 28.099 28.738 0.051 0.000 0.898 27 Q HN 0.727 nan 8.270 nan 0.000 0.426 28 S N -0.346 115.445 115.700 0.151 0.000 2.359 28 S HA -0.207 4.262 4.470 -0.002 0.000 0.223 28 S C 2.011 176.703 174.600 0.154 0.000 1.039 28 S CA 1.609 59.928 58.200 0.198 0.000 1.042 28 S CB -0.751 62.712 63.200 0.438 0.000 0.915 28 S HN 0.497 nan 8.310 nan 0.000 0.439 29 I N 1.516 122.191 120.570 0.176 0.000 2.202 29 I HA -0.021 4.148 4.170 -0.002 0.000 0.242 29 I C 1.080 177.249 176.117 0.086 0.000 1.091 29 I CA 1.024 62.407 61.300 0.138 0.000 1.368 29 I CB -0.391 37.717 38.000 0.180 0.000 1.058 29 I HN 0.656 nan 8.210 nan 0.000 0.410 30 S N -2.444 113.302 115.700 0.076 0.000 2.712 30 S HA 0.199 4.667 4.470 -0.002 0.000 0.279 30 S C -2.626 171.998 174.600 0.039 0.000 1.025 30 S CA -1.013 57.217 58.200 0.050 0.000 0.861 30 S CB 1.243 64.469 63.200 0.042 0.000 1.091 30 S HN -0.266 nan 8.310 nan 0.000 0.457 31 P HA 0.192 nan 4.420 nan 0.000 0.221 31 P C 1.709 179.019 177.300 0.016 0.000 1.155 31 P CA 1.379 64.492 63.100 0.022 0.000 0.812 31 P CB -0.322 31.390 31.700 0.019 0.000 0.801 32 G N 0.098 108.907 108.800 0.016 0.000 2.432 32 G HA2 -0.232 3.726 3.960 -0.002 0.000 0.219 32 G HA3 -0.232 3.726 3.960 -0.002 0.000 0.219 32 G C 1.405 176.308 174.900 0.005 0.000 1.135 32 G CA 0.536 45.642 45.100 0.010 0.000 0.767 32 G HN 0.220 nan 8.290 nan 0.000 0.550 33 L N 0.825 122.055 121.223 0.012 0.000 2.127 33 L HA 0.189 4.528 4.340 -0.002 0.000 0.203 33 L C 3.004 179.874 176.870 -0.002 0.000 1.080 33 L CA 1.595 56.438 54.840 0.006 0.000 0.768 33 L CB -0.352 41.720 42.059 0.022 0.000 0.924 33 L HN 0.373 nan 8.230 nan 0.000 0.444 34 R N -0.093 120.412 120.500 0.008 0.000 2.066 34 R HA -0.121 4.218 4.340 -0.002 0.000 0.232 34 R C 1.585 177.884 176.300 -0.002 0.000 1.131 34 R CA 1.465 57.566 56.100 0.002 0.000 0.955 34 R CB -0.922 29.385 30.300 0.011 0.000 0.851 34 R HN 0.150 nan 8.270 nan 0.000 0.432 35 K N 1.366 121.767 120.400 0.002 0.000 2.732 35 K HA -0.092 4.226 4.320 -0.002 0.000 0.206 35 K C 0.881 177.478 176.600 -0.006 0.000 0.992 35 K CA 1.279 57.568 56.287 0.003 0.000 1.035 35 K CB -0.041 32.463 32.500 0.007 0.000 0.843 35 K HN 0.570 nan 8.250 nan 0.000 0.488 36 K N -2.170 118.217 120.400 -0.022 0.000 2.611 36 K HA 0.195 4.514 4.320 -0.002 0.000 0.209 36 K C 0.320 176.874 176.600 -0.076 0.000 1.658 36 K CA -0.147 56.110 56.287 -0.050 0.000 1.080 36 K CB 0.213 32.675 32.500 -0.063 0.000 1.430 36 K HN 0.006 nan 8.250 nan 0.000 0.596 37 A N 1.616 124.404 122.820 -0.054 0.000 2.507 37 A HA 0.286 4.604 4.320 -0.002 0.000 0.235 37 A C 1.149 178.712 177.584 -0.036 0.000 1.070 37 A CA 0.373 52.376 52.037 -0.057 0.000 0.768 37 A CB 0.395 19.370 19.000 -0.042 0.000 1.011 37 A HN 0.474 nan 8.150 nan 0.000 0.502 38 V N -1.839 118.058 119.914 -0.029 0.000 3.484 38 V HA 0.659 4.778 4.120 -0.002 0.000 0.252 38 V C 0.659 176.774 176.094 0.034 0.000 1.282 38 V CA 1.019 63.338 62.300 0.030 0.000 1.104 38 V CB -1.097 30.782 31.823 0.094 0.000 0.868 38 V HN 2.066 nan 8.190 nan 0.000 0.457 39 A N -0.767 122.057 122.820 0.007 0.000 2.483 39 A HA 0.850 5.169 4.320 -0.002 0.000 0.294 39 A C -0.399 177.174 177.584 -0.019 0.000 1.077 39 A CA -0.092 51.948 52.037 0.004 0.000 0.633 39 A CB 0.597 19.608 19.000 0.018 0.000 1.318 39 A HN 1.256 nan 8.150 nan 0.000 0.455 40 G N -0.387 108.402 108.800 -0.020 0.000 2.563 40 G HA2 0.584 4.543 3.960 -0.002 0.000 0.302 40 G HA3 0.584 4.543 3.960 -0.002 0.000 0.302 40 G C -1.140 173.764 174.900 0.005 0.000 1.301 40 G CA -0.518 44.565 45.100 -0.029 0.000 0.965 40 G HN 0.667 nan 8.290 nan 0.000 0.480 41 K N 1.361 121.767 120.400 0.010 0.000 2.423 41 K HA 0.342 4.661 4.320 -0.002 0.000 0.234 41 K C -1.297 175.355 176.600 0.086 0.000 1.051 41 K CA -0.700 55.605 56.287 0.030 0.000 1.021 41 K CB 0.402 32.897 32.500 -0.008 0.000 1.474 41 K HN 0.255 nan 8.250 nan 0.000 0.474 42 F N 4.497 124.406 119.950 -0.068 0.000 2.368 42 F HA 0.232 4.758 4.527 -0.001 0.000 0.362 42 F C -0.315 175.457 175.800 -0.047 0.000 1.137 42 F CA -0.393 57.568 58.000 -0.066 0.000 1.161 42 F CB -0.029 38.935 39.000 -0.059 0.000 1.265 42 F HN 0.674 nan 8.300 nan 0.000 0.530 43 N N 3.559 122.050 118.700 -0.348 0.000 2.814 43 N HA -0.142 4.597 4.740 -0.002 0.000 0.247 43 N C 0.750 176.170 175.510 -0.151 0.000 1.089 43 N CA 0.896 53.749 53.050 -0.330 0.000 0.682 43 N CB -1.395 36.827 38.487 -0.443 0.000 0.970 43 N HN 1.118 nan 8.380 nan 0.000 0.554 44 G N -1.400 107.343 108.800 -0.095 0.000 2.212 44 G HA2 -0.365 3.593 3.960 -0.002 0.000 0.267 44 G HA3 -0.365 3.593 3.960 -0.002 0.000 0.267 44 G C -0.059 174.818 174.900 -0.037 0.000 1.002 44 G CA 0.932 45.998 45.100 -0.056 0.000 0.729 44 G HN 0.537 nan 8.290 nan 0.000 0.517 45 Q N -0.272 119.515 119.800 -0.022 0.000 2.339 45 Q HA 0.597 4.936 4.340 -0.002 0.000 0.268 45 Q C 0.339 176.357 176.000 0.030 0.000 1.027 45 Q CA -0.921 54.882 55.803 -0.000 0.000 0.759 45 Q CB 0.837 29.575 28.738 -0.000 0.000 1.244 45 Q HN 0.445 nan 8.270 nan 0.000 0.464 46 L N 3.025 124.254 121.223 0.010 0.000 2.640 46 L HA 0.283 4.622 4.340 -0.002 0.000 0.280 46 L C 0.339 177.224 176.870 0.024 0.000 1.229 46 L CA -0.006 54.841 54.840 0.011 0.000 0.919 46 L CB -0.828 41.223 42.059 -0.013 0.000 1.168 46 L HN 0.322 nan 8.230 nan 0.000 0.496 47 V N -0.963 118.969 119.914 0.031 0.000 3.160 47 V HA 0.733 4.852 4.120 -0.002 0.000 0.310 47 V C -0.548 175.555 176.094 0.014 0.000 1.181 47 V CA -1.036 61.281 62.300 0.028 0.000 1.047 47 V CB 2.040 33.882 31.823 0.031 0.000 1.068 47 V HN 0.710 nan 8.190 nan 0.000 0.441 48 D N 1.229 121.640 120.400 0.018 0.000 2.339 48 D HA 0.371 5.010 4.640 -0.002 0.000 0.245 48 D C 1.212 177.507 176.300 -0.008 0.000 1.115 48 D CA -0.333 53.681 54.000 0.024 0.000 0.917 48 D CB 1.193 42.022 40.800 0.048 0.000 1.192 48 D HN 0.565 nan 8.370 nan 0.000 0.428 49 L N 0.826 122.048 121.223 -0.001 0.000 2.129 49 L HA -0.227 4.112 4.340 -0.002 0.000 0.212 49 L C 2.169 179.018 176.870 -0.035 0.000 1.087 49 L CA 1.793 56.619 54.840 -0.022 0.000 0.757 49 L CB -0.571 41.484 42.059 -0.007 0.000 0.896 49 L HN 0.651 nan 8.230 nan 0.000 0.434 50 T N -3.806 110.736 114.554 -0.020 0.000 3.051 50 T HA -0.062 4.286 4.350 -0.002 0.000 0.255 50 T C 1.013 175.690 174.700 -0.039 0.000 1.085 50 T CA -0.304 61.780 62.100 -0.026 0.000 1.109 50 T CB -0.052 68.810 68.868 -0.010 0.000 0.921 50 T HN -0.068 nan 8.240 nan 0.000 0.488 51 K N 4.329 124.709 120.400 -0.034 0.000 2.365 51 K HA 0.045 4.364 4.320 -0.002 0.000 0.268 51 K C -2.742 173.810 176.600 -0.080 0.000 1.173 51 K CA -1.354 54.909 56.287 -0.039 0.000 1.204 51 K CB -0.574 31.910 32.500 -0.026 0.000 0.832 51 K HN 0.183 nan 8.250 nan 0.000 0.481 52 P HA -0.023 nan 4.420 nan 0.000 0.264 52 P C -0.919 176.314 177.300 -0.112 0.000 1.193 52 P CA 0.278 63.329 63.100 -0.080 0.000 0.763 52 P CB 0.466 32.141 31.700 -0.041 0.000 0.810 53 L N 3.269 124.381 121.223 -0.185 0.000 2.305 53 L HA 0.365 4.704 4.340 -0.002 0.000 0.284 53 L C 1.036 177.851 176.870 -0.091 0.000 1.013 53 L CA -0.539 54.151 54.840 -0.250 0.000 0.819 53 L CB 1.611 43.229 42.059 -0.735 0.000 1.227 53 L HN 0.284 nan 8.230 nan 0.000 0.417 54 E N 0.950 121.162 120.200 0.020 0.000 2.115 54 E HA 0.023 4.371 4.350 -0.002 0.000 0.213 54 E C 0.546 177.221 176.600 0.124 0.000 0.936 54 E CA 0.286 56.721 56.400 0.059 0.000 0.947 54 E CB -0.079 29.656 29.700 0.059 0.000 1.169 54 E HN 0.615 nan 8.360 nan 0.000 0.497 55 T N 2.648 117.295 114.554 0.155 0.000 2.830 55 T HA -0.085 4.264 4.350 -0.002 0.000 0.282 55 T C -0.219 174.648 174.700 0.277 0.000 1.024 55 T CA -0.189 62.012 62.100 0.168 0.000 1.144 55 T CB -0.213 68.734 68.868 0.132 0.000 1.035 55 T HN 0.198 nan 8.240 nan 0.000 0.507 56 D N 3.012 123.531 120.400 0.199 0.000 2.344 56 D HA 0.566 5.205 4.640 -0.002 0.000 0.244 56 D C 0.522 176.901 176.300 0.133 0.000 1.134 56 D CA -0.224 53.924 54.000 0.247 0.000 0.930 56 D CB 1.060 41.958 40.800 0.162 0.000 1.175 56 D HN 0.916 nan 8.370 nan 0.000 0.437 57 G N -0.504 108.367 108.800 0.119 0.000 2.322 57 G HA2 0.378 4.337 3.960 -0.002 0.000 0.295 57 G HA3 0.378 4.337 3.960 -0.002 0.000 0.295 57 G C -1.211 173.615 174.900 -0.123 0.000 1.369 57 G CA -0.594 44.376 45.100 -0.216 0.000 0.821 57 G HN 0.634 nan 8.290 nan 0.000 0.536 58 S N -0.791 114.784 115.700 -0.210 0.000 2.549 58 S HA 0.680 5.149 4.470 -0.002 0.000 0.279 58 S C -0.043 174.524 174.600 -0.054 0.000 1.321 58 S CA -0.298 57.852 58.200 -0.084 0.000 1.054 58 S CB 1.390 64.538 63.200 -0.087 0.000 0.899 58 S HN 0.948 nan 8.310 nan 0.000 0.497 59 I N 1.060 121.626 120.570 -0.006 0.000 2.827 59 I HA 0.434 4.603 4.170 -0.002 0.000 0.298 59 I C -1.320 174.677 176.117 -0.200 0.000 1.235 59 I CA -0.611 60.686 61.300 -0.004 0.000 1.021 59 I CB 2.195 40.258 38.000 0.106 0.000 1.259 59 I HN 0.773 nan 8.210 nan 0.000 0.427 60 E N 6.466 126.577 120.200 -0.147 0.000 2.312 60 E HA 0.473 4.822 4.350 -0.002 0.000 0.267 60 E C -1.296 175.214 176.600 -0.151 0.000 0.894 60 E CA -0.896 55.400 56.400 -0.173 0.000 0.773 60 E CB 2.700 32.341 29.700 -0.099 0.000 1.241 60 E HN 0.293 nan 8.360 nan 0.000 0.432 61 I N 2.556 123.036 120.570 -0.151 0.000 2.347 61 I HA 0.111 4.280 4.170 -0.002 0.000 0.283 61 I C -0.103 175.968 176.117 -0.078 0.000 1.058 61 I CA -0.813 60.420 61.300 -0.111 0.000 1.202 61 I CB 0.614 38.550 38.000 -0.106 0.000 1.386 61 I HN 0.320 nan 8.210 nan 0.000 0.475 62 V N 5.425 125.302 119.914 -0.061 0.000 2.484 62 V HA -0.033 4.086 4.120 -0.002 0.000 0.276 62 V C 1.138 177.190 176.094 -0.070 0.000 0.976 62 V CA 0.342 62.613 62.300 -0.049 0.000 1.141 62 V CB -0.763 31.045 31.823 -0.024 0.000 0.975 62 V HN 0.875 nan 8.190 nan 0.000 0.466 63 T N 6.414 120.914 114.554 -0.089 0.000 2.945 63 T HA 0.531 4.880 4.350 -0.002 0.000 0.286 63 T C -2.711 171.858 174.700 -0.219 0.000 1.025 63 T CA -2.333 59.682 62.100 -0.143 0.000 1.039 63 T CB 2.086 70.887 68.868 -0.110 0.000 1.068 63 T HN 0.499 nan 8.240 nan 0.000 0.497 64 P HA 0.356 nan 4.420 nan 0.000 0.271 64 P C 0.514 177.673 177.300 -0.236 0.000 1.226 64 P CA 0.245 62.970 63.100 -0.626 0.000 0.765 64 P CB 0.763 31.607 31.700 -1.426 0.000 0.835 65 G N 1.598 110.359 108.800 -0.065 0.000 2.559 65 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.202 65 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.202 65 G C -0.058 174.867 174.900 0.041 0.000 0.992 65 G CA -0.320 44.790 45.100 0.017 0.000 0.764 65 G HN 0.537 nan 8.290 nan 0.000 0.525 66 S N 0.071 115.794 115.700 0.038 0.000 2.651 66 S HA 0.569 5.038 4.470 -0.002 0.000 0.291 66 S C 0.871 175.522 174.600 0.085 0.000 1.141 66 S CA -0.091 58.136 58.200 0.045 0.000 1.027 66 S CB 2.386 65.596 63.200 0.016 0.000 1.043 66 S HN 0.232 nan 8.310 nan 0.000 0.530 67 E N 1.580 121.816 120.200 0.062 0.000 2.072 67 E HA -0.137 4.212 4.350 -0.002 0.000 0.190 67 E C 1.507 178.139 176.600 0.053 0.000 0.982 67 E CA 1.509 57.945 56.400 0.061 0.000 0.803 67 E CB -0.166 29.558 29.700 0.039 0.000 0.755 67 E HN 0.712 nan 8.360 nan 0.000 0.453 68 E N 0.253 120.475 120.200 0.037 0.000 2.058 68 E HA -0.240 4.109 4.350 -0.002 0.000 0.194 68 E C 2.100 178.735 176.600 0.057 0.000 0.997 68 E CA 1.123 57.538 56.400 0.025 0.000 0.801 68 E CB -0.320 29.386 29.700 0.009 0.000 0.746 68 E HN 0.379 nan 8.360 nan 0.000 0.450 69 A N 1.329 124.206 122.820 0.095 0.000 1.940 69 A HA -0.186 4.133 4.320 -0.002 0.000 0.219 69 A C 2.219 180.011 177.584 0.348 0.000 1.176 69 A CA 1.134 53.284 52.037 0.189 0.000 0.631 69 A CB -0.610 18.458 19.000 0.112 0.000 0.814 69 A HN 0.156 nan 8.150 nan 0.000 0.446 70 L N -0.103 121.272 121.223 0.253 0.000 2.017 70 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 70 L C 2.586 179.430 176.870 -0.043 0.000 1.073 70 L CA 1.980 56.876 54.840 0.092 0.000 0.745 70 L CB -0.435 41.647 42.059 0.038 0.000 0.894 70 L HN 0.406 nan 8.230 nan 0.000 0.432 71 E N -0.606 119.585 120.200 -0.016 0.000 2.048 71 E HA -0.264 4.085 4.350 -0.002 0.000 0.202 71 E C 2.271 178.836 176.600 -0.059 0.000 1.021 71 E CA 1.803 58.173 56.400 -0.049 0.000 0.825 71 E CB -1.015 28.658 29.700 -0.044 0.000 0.756 71 E HN 0.360 nan 8.360 nan 0.000 0.454 72 V N 1.973 121.874 119.914 -0.022 0.000 2.219 72 V HA -0.285 3.833 4.120 -0.002 0.000 0.248 72 V C 2.589 178.642 176.094 -0.067 0.000 1.053 72 V CA 2.072 64.358 62.300 -0.023 0.000 1.009 72 V CB -0.741 31.108 31.823 0.044 0.000 0.636 72 V HN 0.191 nan 8.190 nan 0.000 0.445 73 L N 0.497 121.676 121.223 -0.074 0.000 2.051 73 L HA -0.222 4.117 4.340 -0.002 0.000 0.214 73 L C 2.579 179.269 176.870 -0.301 0.000 1.076 73 L CA 2.033 56.720 54.840 -0.255 0.000 0.758 73 L CB -0.842 40.782 42.059 -0.726 0.000 0.890 73 L HN 0.268 nan 8.230 nan 0.000 0.433 74 R N -1.481 118.866 120.500 -0.254 0.000 2.090 74 R HA -0.169 4.169 4.340 -0.002 0.000 0.228 74 R C 2.259 178.364 176.300 -0.325 0.000 1.110 74 R CA 1.390 57.352 56.100 -0.230 0.000 0.973 74 R CB -0.993 29.263 30.300 -0.074 0.000 0.869 74 R HN 0.573 nan 8.270 nan 0.000 0.440 75 H N 1.137 120.012 119.070 -0.325 0.000 2.357 75 H HA 0.048 4.603 4.556 -0.002 0.000 0.301 75 H C 1.841 176.926 175.328 -0.405 0.000 1.082 75 H CA 1.945 57.761 56.048 -0.386 0.000 1.342 75 H CB -0.019 29.506 29.762 -0.395 0.000 1.389 75 H HN -0.028 nan 8.280 nan 0.000 0.511 76 S N -0.686 114.749 115.700 -0.442 0.000 2.399 76 S HA -0.149 4.320 4.470 -0.002 0.000 0.231 76 S C 1.969 176.332 174.600 -0.395 0.000 1.022 76 S CA 1.540 59.544 58.200 -0.325 0.000 0.983 76 S CB -0.277 62.838 63.200 -0.142 0.000 0.803 76 S HN 0.616 nan 8.310 nan 0.000 0.480 77 T N 2.101 116.300 114.554 -0.591 0.000 2.942 77 T HA 0.131 4.480 4.350 -0.002 0.000 0.265 77 T C 2.185 176.288 174.700 -0.994 0.000 1.062 77 T CA 0.887 62.504 62.100 -0.805 0.000 1.139 77 T CB -0.390 67.915 68.868 -0.938 0.000 0.883 77 T HN 0.444 nan 8.240 nan 0.000 0.468 78 A N 1.936 124.062 122.820 -1.157 0.000 1.865 78 A HA -0.222 4.097 4.320 -0.002 0.000 0.217 78 A C 2.158 179.590 177.584 -0.255 0.000 1.191 78 A CA 1.551 53.165 52.037 -0.706 0.000 0.623 78 A CB -0.946 17.811 19.000 -0.404 0.000 0.826 78 A HN 0.463 nan 8.150 nan 0.000 0.444 79 H N -0.883 118.027 119.070 -0.266 0.000 2.267 79 H HA -0.150 4.406 4.556 -0.002 0.000 0.297 79 H C 2.140 177.420 175.328 -0.080 0.000 1.080 79 H CA 1.966 57.966 56.048 -0.080 0.000 1.278 79 H CB -0.795 28.807 29.762 -0.266 0.000 1.365 79 H HN 0.408 nan 8.280 nan 0.000 0.489 80 L N 0.503 121.707 121.223 -0.032 0.000 2.021 80 L HA -0.206 4.133 4.340 -0.002 0.000 0.215 80 L C 2.516 179.306 176.870 -0.134 0.000 1.074 80 L CA 1.696 56.472 54.840 -0.107 0.000 0.760 80 L CB -0.761 41.127 42.059 -0.284 0.000 0.889 80 L HN 0.193 nan 8.230 nan 0.000 0.433 81 M N -1.039 118.445 119.600 -0.193 0.000 2.073 81 M HA -0.268 4.211 4.480 -0.002 0.000 0.258 81 M C 2.261 178.564 176.300 0.004 0.000 1.070 81 M CA 2.250 57.520 55.300 -0.050 0.000 1.103 81 M CB -0.638 31.997 32.600 0.057 0.000 1.321 81 M HN 0.522 nan 8.290 nan 0.000 0.405 82 A N -0.997 121.736 122.820 -0.146 0.000 1.851 82 A HA -0.292 4.027 4.320 -0.002 0.000 0.216 82 A C 1.836 179.075 177.584 -0.576 0.000 1.195 82 A CA 2.351 54.195 52.037 -0.320 0.000 0.622 82 A CB -1.492 17.015 19.000 -0.822 0.000 0.831 82 A HN 0.735 nan 8.150 nan 0.000 0.444 83 H N -0.455 118.095 119.070 -0.867 0.000 2.362 83 H HA -0.170 4.385 4.556 -0.003 0.000 0.294 83 H C 2.107 177.239 175.328 -0.326 0.000 1.113 83 H CA 2.089 57.701 56.048 -0.727 0.000 1.253 83 H CB -0.105 29.526 29.762 -0.218 0.000 1.363 83 H HN 0.464 nan 8.280 nan 0.000 0.494 84 A N 0.324 123.156 122.820 0.018 0.000 2.067 84 A HA -0.072 4.247 4.320 -0.002 0.000 0.219 84 A C 2.168 179.765 177.584 0.021 0.000 1.158 84 A CA 1.146 53.212 52.037 0.048 0.000 0.661 84 A CB -0.215 18.813 19.000 0.047 0.000 0.801 84 A HN 0.441 nan 8.150 nan 0.000 0.452 85 I N -0.361 120.203 120.570 -0.010 0.000 2.333 85 I HA -0.098 4.071 4.170 -0.002 0.000 0.246 85 I C 2.331 178.500 176.117 0.086 0.000 1.106 85 I CA 1.163 62.460 61.300 -0.005 0.000 1.411 85 I CB -0.982 36.740 38.000 -0.463 0.000 1.082 85 I HN 0.250 nan 8.210 nan 0.000 0.420 86 K N 1.320 121.804 120.400 0.139 0.000 2.032 86 K HA -0.208 4.111 4.320 -0.002 0.000 0.209 86 K C 2.197 178.806 176.600 0.015 0.000 1.048 86 K CA 1.438 57.801 56.287 0.127 0.000 0.927 86 K CB -0.244 32.135 32.500 -0.201 0.000 0.712 86 K HN 0.153 nan 8.250 nan 0.000 0.441 87 R N 0.176 120.657 120.500 -0.032 0.000 2.237 87 R HA -0.015 4.324 4.340 -0.002 0.000 0.219 87 R C 2.040 178.303 176.300 -0.061 0.000 1.080 87 R CA 0.775 56.863 56.100 -0.020 0.000 0.995 87 R CB 0.102 30.427 30.300 0.041 0.000 0.875 87 R HN 0.152 nan 8.270 nan 0.000 0.462 88 L N -1.562 119.588 121.223 -0.122 0.000 2.500 88 L HA 0.194 4.533 4.340 -0.002 0.000 0.219 88 L C 0.037 176.597 176.870 -0.516 0.000 1.057 88 L CA -0.178 54.466 54.840 -0.326 0.000 0.854 88 L CB 0.122 41.908 42.059 -0.455 0.000 1.078 88 L HN -0.002 nan 8.230 nan 0.000 0.480 89 Y N -0.572 119.700 120.300 -0.047 0.000 2.403 89 Y HA 0.398 4.947 4.550 -0.001 0.000 0.323 89 Y C 1.393 177.277 175.900 -0.028 0.000 1.226 89 Y CA -0.151 57.920 58.100 -0.048 0.000 1.235 89 Y CB 0.924 39.329 38.460 -0.092 0.000 1.248 89 Y HN -0.168 nan 8.280 nan 0.000 0.489 90 G N 0.424 109.313 108.800 0.149 0.000 2.396 90 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.214 90 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.214 90 G C 0.221 175.168 174.900 0.078 0.000 1.166 90 G CA 0.557 45.706 45.100 0.083 0.000 0.793 90 G HN 0.555 nan 8.290 nan 0.000 0.533 91 N N -0.135 118.616 118.700 0.084 0.000 2.762 91 N HA 0.370 5.108 4.740 -0.002 0.000 0.252 91 N C -1.267 174.267 175.510 0.039 0.000 1.269 91 N CA -0.380 52.706 53.050 0.059 0.000 0.799 91 N CB 1.308 39.822 38.487 0.045 0.000 1.173 91 N HN -0.070 nan 8.380 nan 0.000 0.516 92 V N 2.276 122.220 119.914 0.049 0.000 2.581 92 V HA 0.564 4.683 4.120 -0.002 0.000 0.303 92 V C -0.264 175.868 176.094 0.063 0.000 1.041 92 V CA -0.664 61.609 62.300 -0.045 0.000 0.907 92 V CB 1.785 33.504 31.823 -0.173 0.000 0.994 92 V HN 0.424 nan 8.190 nan 0.000 0.442 93 K N 3.805 124.213 120.400 0.012 0.000 2.507 93 K HA 0.623 4.942 4.320 -0.002 0.000 0.251 93 K C -1.556 175.193 176.600 0.249 0.000 0.943 93 K CA -0.439 56.018 56.287 0.283 0.000 0.794 93 K CB 2.001 34.704 32.500 0.340 0.000 1.188 93 K HN 0.355 nan 8.250 nan 0.000 0.428 94 F N 0.468 120.702 119.950 0.474 0.000 2.380 94 F HA 0.564 5.090 4.527 -0.002 0.000 0.321 94 F C 1.354 177.479 175.800 0.541 0.000 1.103 94 F CA 0.028 58.370 58.000 0.570 0.000 1.067 94 F CB 1.331 40.701 39.000 0.617 0.000 1.265 94 F HN 0.709 nan 8.300 nan 0.000 0.517 95 G N -0.151 109.029 108.800 0.633 0.000 3.364 95 G HA2 0.555 4.514 3.960 -0.002 0.000 0.191 95 G HA3 0.555 4.514 3.960 -0.002 0.000 0.191 95 G C -1.025 173.957 174.900 0.138 0.000 1.352 95 G CA -0.266 45.012 45.100 0.297 0.000 0.758 95 G HN 0.578 nan 8.290 nan 0.000 0.730 96 V N -1.304 118.484 119.914 -0.211 0.000 2.630 96 V HA 0.834 4.953 4.120 -0.002 0.000 0.305 96 V C 0.271 175.759 176.094 -1.010 0.000 1.046 96 V CA -0.260 61.774 62.300 -0.444 0.000 0.934 96 V CB 1.265 32.864 31.823 -0.374 0.000 1.003 96 V HN 1.058 nan 8.190 nan 0.000 0.451 97 G N 3.968 112.088 108.800 -1.133 0.000 3.378 97 G HA2 0.689 4.647 3.960 -0.002 0.000 0.332 97 G HA3 0.689 4.647 3.960 -0.002 0.000 0.332 97 G C -2.639 171.863 174.900 -0.663 0.000 1.490 97 G CA -1.105 43.224 45.100 -1.285 0.000 1.068 97 G HN 0.670 nan 8.290 nan 0.000 0.492 98 P HA 0.493 nan 4.420 nan 0.000 0.287 98 P C -0.360 176.708 177.300 -0.388 0.000 1.279 98 P CA -0.691 62.075 63.100 -0.556 0.000 0.867 98 P CB 2.770 34.115 31.700 -0.592 0.000 1.127 99 V N 3.495 123.281 119.914 -0.213 0.000 2.461 99 V HA 0.269 4.388 4.120 -0.002 0.000 0.275 99 V C 0.873 176.923 176.094 -0.074 0.000 1.047 99 V CA -0.076 62.164 62.300 -0.100 0.000 0.955 99 V CB 0.316 32.086 31.823 -0.089 0.000 0.988 99 V HN 0.464 nan 8.190 nan 0.000 0.471 100 I N 1.137 121.699 120.570 -0.014 0.000 3.294 100 I HA 0.638 4.806 4.170 -0.002 0.000 0.311 100 I C 0.111 176.243 176.117 0.025 0.000 1.111 100 I CA -1.103 60.217 61.300 0.034 0.000 0.976 100 I CB 1.876 39.959 38.000 0.138 0.000 1.260 100 I HN 0.563 nan 8.210 nan 0.000 0.474 101 E N 1.427 121.651 120.200 0.040 0.000 2.585 101 E HA 0.136 4.485 4.350 -0.002 0.000 0.252 101 E C 0.812 177.441 176.600 0.048 0.000 0.981 101 E CA 0.986 57.410 56.400 0.041 0.000 0.943 101 E CB 0.171 29.900 29.700 0.049 0.000 0.923 101 E HN 1.040 nan 8.360 nan 0.000 0.486 102 G N 3.159 111.976 108.800 0.028 0.000 2.390 102 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.299 102 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.299 102 G C 0.412 175.252 174.900 -0.101 0.000 1.002 102 G CA 0.616 45.708 45.100 -0.014 0.000 0.979 102 G HN 1.084 nan 8.290 nan 0.000 0.513 103 G N -1.608 107.125 108.800 -0.112 0.000 2.345 103 G HA2 0.701 4.660 3.960 -0.002 0.000 0.285 103 G HA3 0.701 4.660 3.960 -0.002 0.000 0.285 103 G C -0.664 174.202 174.900 -0.057 0.000 1.297 103 G CA -0.145 44.864 45.100 -0.152 0.000 0.875 103 G HN 1.719 nan 8.290 nan 0.000 0.506 104 F N -1.303 118.616 119.950 -0.053 0.000 2.662 104 F HA 0.915 5.441 4.527 -0.002 0.000 0.312 104 F C -0.846 174.909 175.800 -0.074 0.000 1.113 104 F CA -1.816 56.110 58.000 -0.124 0.000 0.951 104 F CB 1.335 40.224 39.000 -0.185 0.000 1.344 104 F HN 1.127 nan 8.300 nan 0.000 0.462 105 Y N -0.559 119.628 120.300 -0.189 0.000 2.644 105 Y HA 0.807 5.356 4.550 -0.002 0.000 0.338 105 Y C -2.396 173.344 175.900 -0.266 0.000 1.119 105 Y CA -2.411 55.429 58.100 -0.434 0.000 1.060 105 Y CB 1.637 39.576 38.460 -0.869 0.000 1.294 105 Y HN 0.799 nan 8.280 nan 0.000 0.472 106 Y N 1.625 121.788 120.300 -0.228 0.000 2.317 106 Y HA 0.316 4.865 4.550 -0.002 0.000 0.329 106 Y C -1.251 174.174 175.900 -0.792 0.000 1.101 106 Y CA -1.377 56.440 58.100 -0.471 0.000 1.228 106 Y CB 0.917 39.041 38.460 -0.560 0.000 1.123 106 Y HN 0.746 nan 8.280 nan 0.000 0.457 107 D N 4.837 125.054 120.400 -0.305 0.000 2.450 107 D HA 0.115 4.754 4.640 -0.002 0.000 0.247 107 D C -0.269 175.956 176.300 -0.124 0.000 1.162 107 D CA 1.161 55.019 54.000 -0.237 0.000 0.879 107 D CB 0.391 41.088 40.800 -0.171 0.000 1.163 107 D HN 0.191 nan 8.370 nan 0.000 0.472 108 F N 0.581 120.536 119.950 0.008 0.000 2.780 108 F HA 0.417 4.943 4.527 -0.002 0.000 0.394 108 F C 0.613 176.343 175.800 -0.118 0.000 1.244 108 F CA -1.036 56.901 58.000 -0.103 0.000 1.133 108 F CB 0.718 39.604 39.000 -0.191 0.000 1.528 108 F HN 0.069 nan 8.300 nan 0.000 0.496 109 D N 0.771 121.228 120.400 0.096 0.000 2.684 109 D HA 0.231 4.870 4.640 -0.002 0.000 0.233 109 D C -1.287 175.002 176.300 -0.018 0.000 1.374 109 D CA 0.179 54.227 54.000 0.080 0.000 0.906 109 D CB 0.011 40.963 40.800 0.254 0.000 1.526 109 D HN 0.305 nan 8.370 nan 0.000 0.518 110 I N 1.139 121.655 120.570 -0.090 0.000 2.577 110 I HA 0.219 4.388 4.170 -0.002 0.000 0.305 110 I C 1.602 177.677 176.117 -0.069 0.000 0.986 110 I CA -0.738 60.464 61.300 -0.162 0.000 1.189 110 I CB 1.588 39.359 38.000 -0.381 0.000 1.355 110 I HN 0.113 nan 8.210 nan 0.000 0.476 111 D N 2.256 122.631 120.400 -0.041 0.000 2.104 111 D HA -0.163 4.476 4.640 -0.002 0.000 0.194 111 D C 0.813 177.105 176.300 -0.013 0.000 0.994 111 D CA 1.588 55.586 54.000 -0.003 0.000 0.830 111 D CB 0.285 41.096 40.800 0.018 0.000 0.959 111 D HN 0.629 nan 8.370 nan 0.000 0.452 112 Q N -0.184 119.596 119.800 -0.034 0.000 2.207 112 Q HA 0.259 4.598 4.340 -0.002 0.000 0.237 112 Q C 0.173 176.124 176.000 -0.081 0.000 0.998 112 Q CA -1.025 54.760 55.803 -0.031 0.000 0.951 112 Q CB 0.606 29.352 28.738 0.014 0.000 1.213 112 Q HN 0.112 nan 8.270 nan 0.000 0.499 113 N N 0.485 119.156 118.700 -0.048 0.000 2.256 113 N HA 0.221 4.959 4.740 -0.002 0.000 0.252 113 N C -0.109 175.346 175.510 -0.091 0.000 1.274 113 N CA 0.174 53.192 53.050 -0.053 0.000 0.872 113 N CB 0.048 38.522 38.487 -0.023 0.000 0.982 113 N HN 0.753 nan 8.380 nan 0.000 0.445 114 I N -6.120 114.419 120.570 -0.051 0.000 2.784 114 I HA 0.255 4.424 4.170 -0.002 0.000 0.279 114 I C -1.499 174.586 176.117 -0.053 0.000 1.613 114 I CA -0.876 60.404 61.300 -0.033 0.000 1.161 114 I CB 0.460 38.447 38.000 -0.022 0.000 1.576 114 I HN 0.731 nan 8.210 nan 0.000 0.414 115 S N 2.520 118.149 115.700 -0.118 0.000 2.671 115 S HA 0.510 4.978 4.470 -0.002 0.000 0.299 115 S C 0.860 175.127 174.600 -0.556 0.000 1.116 115 S CA 0.012 58.073 58.200 -0.231 0.000 0.912 115 S CB 1.889 65.000 63.200 -0.149 0.000 1.130 115 S HN 0.847 nan 8.310 nan 0.000 0.501 116 S N -0.083 115.210 115.700 -0.677 0.000 2.481 116 S HA -0.204 4.264 4.470 -0.002 0.000 0.253 116 S C 0.957 175.171 174.600 -0.643 0.000 0.998 116 S CA 2.006 59.586 58.200 -1.033 0.000 0.972 116 S CB -0.998 62.002 63.200 -0.332 0.000 0.751 116 S HN 0.726 nan 8.310 nan 0.000 0.515 117 D N 0.582 120.763 120.400 -0.364 0.000 2.234 117 D HA 0.019 4.658 4.640 -0.002 0.000 0.205 117 D C 1.340 177.589 176.300 -0.085 0.000 0.962 117 D CA 0.868 54.774 54.000 -0.155 0.000 0.855 117 D CB -0.026 40.720 40.800 -0.090 0.000 0.951 117 D HN 0.423 nan 8.370 nan 0.000 0.500 118 D N -0.606 119.728 120.400 -0.110 0.000 2.350 118 D HA -0.034 4.605 4.640 -0.002 0.000 0.213 118 D C 1.285 177.715 176.300 0.217 0.000 1.031 118 D CA 0.007 54.045 54.000 0.063 0.000 0.861 118 D CB 0.062 40.940 40.800 0.129 0.000 0.926 118 D HN 0.194 nan 8.370 nan 0.000 0.520 119 F N 1.698 121.714 119.950 0.111 0.000 2.236 119 F HA -0.118 4.407 4.527 -0.002 0.000 0.302 119 F C 2.225 178.092 175.800 0.112 0.000 1.073 119 F CA 0.577 58.651 58.000 0.123 0.000 1.336 119 F CB -0.561 38.506 39.000 0.111 0.000 1.040 119 F HN 0.062 nan 8.300 nan 0.000 0.507 120 E N -0.735 119.626 120.200 0.268 0.000 2.502 120 E HA -0.104 4.245 4.350 -0.002 0.000 0.194 120 E C 1.837 178.518 176.600 0.134 0.000 1.062 120 E CA 0.089 56.592 56.400 0.171 0.000 0.867 120 E CB 0.233 30.005 29.700 0.120 0.000 0.888 120 E HN 0.295 nan 8.360 nan 0.000 0.510 121 Q N -0.236 119.652 119.800 0.146 0.000 2.499 121 Q HA 0.119 4.458 4.340 -0.002 0.000 0.213 121 Q C 2.172 178.243 176.000 0.119 0.000 0.929 121 Q CA 0.210 56.073 55.803 0.100 0.000 0.904 121 Q CB 0.078 28.856 28.738 0.065 0.000 1.052 121 Q HN 0.329 nan 8.270 nan 0.000 0.589 122 I N 1.172 121.846 120.570 0.174 0.000 2.248 122 I HA -0.290 3.879 4.170 -0.002 0.000 0.248 122 I C 2.160 178.393 176.117 0.193 0.000 1.107 122 I CA 1.329 62.742 61.300 0.188 0.000 1.373 122 I CB -0.120 38.049 38.000 0.281 0.000 1.055 122 I HN 0.277 nan 8.210 nan 0.000 0.418 123 E N 0.948 121.284 120.200 0.227 0.000 2.028 123 E HA -0.268 4.081 4.350 -0.002 0.000 0.191 123 E C 2.195 178.923 176.600 0.213 0.000 0.988 123 E CA 1.167 57.731 56.400 0.273 0.000 0.799 123 E CB -0.012 29.824 29.700 0.227 0.000 0.755 123 E HN 0.286 nan 8.360 nan 0.000 0.447 124 K N -0.046 120.437 120.400 0.139 0.000 2.160 124 K HA -0.181 4.138 4.320 -0.002 0.000 0.206 124 K C 1.969 178.622 176.600 0.089 0.000 1.047 124 K CA 1.837 58.181 56.287 0.095 0.000 0.930 124 K CB -0.068 32.472 32.500 0.067 0.000 0.720 124 K HN 0.019 nan 8.250 nan 0.000 0.450 125 T N 1.288 115.895 114.554 0.089 0.000 2.852 125 T HA -0.040 4.309 4.350 -0.002 0.000 0.256 125 T C 1.602 176.343 174.700 0.067 0.000 1.038 125 T CA 1.339 63.477 62.100 0.062 0.000 1.141 125 T CB -0.107 68.786 68.868 0.042 0.000 0.869 125 T HN 0.434 nan 8.240 nan 0.000 0.439 126 M N 0.455 120.111 119.600 0.092 0.000 2.530 126 M HA 0.019 4.498 4.480 -0.002 0.000 0.261 126 M C 1.967 178.323 176.300 0.093 0.000 1.067 126 M CA 1.560 56.885 55.300 0.042 0.000 1.071 126 M CB -0.422 32.163 32.600 -0.026 0.000 1.405 126 M HN 0.025 nan 8.290 nan 0.000 0.478 127 K N 1.038 121.535 120.400 0.163 0.000 2.029 127 K HA -0.075 4.244 4.320 -0.002 0.000 0.205 127 K C 2.052 178.694 176.600 0.070 0.000 1.042 127 K CA 1.329 57.712 56.287 0.160 0.000 0.949 127 K CB -0.058 32.524 32.500 0.136 0.000 0.740 127 K HN 0.448 nan 8.250 nan 0.000 0.442 128 Q N 0.526 120.355 119.800 0.049 0.000 2.156 128 Q HA -0.230 4.109 4.340 -0.002 0.000 0.211 128 Q C 2.109 178.109 176.000 -0.001 0.000 0.995 128 Q CA 2.095 57.912 55.803 0.024 0.000 0.877 128 Q CB -0.448 28.303 28.738 0.022 0.000 0.920 128 Q HN 0.487 nan 8.270 nan 0.000 0.416 129 I N -2.054 118.499 120.570 -0.029 0.000 2.546 129 I HA -0.110 4.058 4.170 -0.002 0.000 0.255 129 I C 1.752 177.810 176.117 -0.099 0.000 1.163 129 I CA 0.953 62.191 61.300 -0.103 0.000 1.457 129 I CB -0.022 37.820 38.000 -0.262 0.000 1.092 129 I HN -0.111 nan 8.210 nan 0.000 0.434 130 V N 2.347 122.234 119.914 -0.046 0.000 2.548 130 V HA -0.169 3.950 4.120 -0.002 0.000 0.249 130 V C 2.210 178.304 176.094 0.001 0.000 1.055 130 V CA 1.942 64.232 62.300 -0.016 0.000 1.065 130 V CB -1.154 30.696 31.823 0.045 0.000 0.681 130 V HN 0.548 nan 8.190 nan 0.000 0.462 131 N N 0.155 118.860 118.700 0.009 0.000 2.270 131 N HA -0.147 4.591 4.740 -0.002 0.000 0.181 131 N C 1.705 177.215 175.510 0.001 0.000 1.016 131 N CA 0.952 54.009 53.050 0.011 0.000 0.870 131 N CB -0.199 38.298 38.487 0.016 0.000 0.979 131 N HN 0.566 nan 8.380 nan 0.000 0.431 132 E N 0.936 121.130 120.200 -0.009 0.000 2.160 132 E HA -0.118 4.231 4.350 -0.002 0.000 0.195 132 E C 0.015 176.608 176.600 -0.012 0.000 0.991 132 E CA 0.162 56.555 56.400 -0.011 0.000 0.810 132 E CB -0.192 29.497 29.700 -0.019 0.000 0.742 132 E HN 0.361 nan 8.360 nan 0.000 0.466 133 N N 0.264 118.955 118.700 -0.016 0.000 2.756 133 N HA -0.201 4.538 4.740 -0.002 0.000 0.248 133 N C -0.559 174.942 175.510 -0.014 0.000 1.062 133 N CA -0.251 52.793 53.050 -0.010 0.000 0.696 133 N CB -0.807 37.680 38.487 0.001 0.000 0.946 133 N HN 0.101 nan 8.380 nan 0.000 0.548 134 M N 0.697 120.282 119.600 -0.026 0.000 2.113 134 M HA 0.017 4.495 4.480 -0.002 0.000 0.288 134 M C 0.655 176.943 176.300 -0.020 0.000 1.225 134 M CA 0.525 55.811 55.300 -0.024 0.000 1.148 134 M CB 0.404 32.986 32.600 -0.029 0.000 1.388 134 M HN 0.253 nan 8.290 nan 0.000 0.469 135 K N 1.501 121.885 120.400 -0.027 0.000 2.265 135 K HA 0.469 4.788 4.320 -0.002 0.000 0.267 135 K C -1.343 175.232 176.600 -0.042 0.000 0.994 135 K CA -0.177 56.096 56.287 -0.023 0.000 0.860 135 K CB 0.487 32.973 32.500 -0.022 0.000 1.099 135 K HN 0.560 nan 8.250 nan 0.000 0.448 136 I N 4.117 124.674 120.570 -0.022 0.000 2.556 136 I HA 0.089 4.257 4.170 -0.002 0.000 0.284 136 I C 0.217 176.302 176.117 -0.053 0.000 1.114 136 I CA 0.220 61.494 61.300 -0.042 0.000 1.418 136 I CB 0.774 38.809 38.000 0.058 0.000 1.394 136 I HN 0.681 nan 8.210 nan 0.000 0.552 137 E N 5.816 125.954 120.200 -0.104 0.000 2.312 137 E HA 0.445 4.794 4.350 -0.002 0.000 0.267 137 E C -0.768 175.778 176.600 -0.090 0.000 0.894 137 E CA -1.082 55.270 56.400 -0.080 0.000 0.773 137 E CB 2.725 32.375 29.700 -0.083 0.000 1.241 137 E HN 0.337 nan 8.360 nan 0.000 0.432 138 R N 2.440 122.910 120.500 -0.051 0.000 2.393 138 R HA 0.321 4.660 4.340 -0.002 0.000 0.310 138 R C -1.060 175.221 176.300 -0.032 0.000 0.968 138 R CA -0.297 55.782 56.100 -0.034 0.000 0.867 138 R CB 0.861 31.160 30.300 -0.002 0.000 1.124 138 R HN 0.511 nan 8.270 nan 0.000 0.450 139 K N 2.658 123.040 120.400 -0.030 0.000 2.207 139 K HA 0.395 4.713 4.320 -0.002 0.000 0.255 139 K C -0.506 176.095 176.600 0.002 0.000 0.941 139 K CA -0.871 55.403 56.287 -0.022 0.000 0.825 139 K CB 2.341 34.820 32.500 -0.035 0.000 1.119 139 K HN 0.328 nan 8.250 nan 0.000 0.430 140 V N 1.514 121.431 119.914 0.004 0.000 2.326 140 V HA 0.173 4.292 4.120 -0.002 0.000 0.254 140 V C 0.010 176.114 176.094 0.015 0.000 1.022 140 V CA -0.938 61.371 62.300 0.014 0.000 1.074 140 V CB -0.113 31.718 31.823 0.012 0.000 1.305 140 V HN 0.465 nan 8.190 nan 0.000 0.506 141 V N -0.466 119.462 119.914 0.023 0.000 3.134 141 V HA 0.684 4.802 4.120 -0.002 0.000 0.313 141 V C 0.587 176.702 176.094 0.035 0.000 1.069 141 V CA -0.436 61.879 62.300 0.024 0.000 1.048 141 V CB 1.439 33.277 31.823 0.024 0.000 1.119 141 V HN 0.490 nan 8.190 nan 0.000 0.461 142 S N -0.045 115.674 115.700 0.032 0.000 2.646 142 S HA 0.413 4.882 4.470 -0.002 0.000 0.276 142 S C 1.116 175.745 174.600 0.049 0.000 1.222 142 S CA -0.644 57.577 58.200 0.035 0.000 1.014 142 S CB 1.331 64.546 63.200 0.025 0.000 0.991 142 S HN 0.727 nan 8.310 nan 0.000 0.533 143 R N 1.220 121.748 120.500 0.046 0.000 2.159 143 R HA -0.214 4.125 4.340 -0.002 0.000 0.249 143 R C 1.369 177.705 176.300 0.060 0.000 1.136 143 R CA 2.340 58.472 56.100 0.053 0.000 0.951 143 R CB -0.582 29.741 30.300 0.038 0.000 0.876 143 R HN 0.657 nan 8.270 nan 0.000 0.440 144 D N 0.307 120.732 120.400 0.043 0.000 2.137 144 D HA -0.196 4.443 4.640 -0.002 0.000 0.189 144 D C 1.855 178.181 176.300 0.043 0.000 0.998 144 D CA 1.712 55.735 54.000 0.037 0.000 0.839 144 D CB -0.381 40.433 40.800 0.024 0.000 0.962 144 D HN 0.300 nan 8.370 nan 0.000 0.446 145 E N 1.260 121.482 120.200 0.037 0.000 2.049 145 E HA -0.147 4.202 4.350 -0.002 0.000 0.198 145 E C 2.085 178.716 176.600 0.052 0.000 1.007 145 E CA 1.414 57.830 56.400 0.027 0.000 0.809 145 E CB -0.481 29.229 29.700 0.016 0.000 0.749 145 E HN 0.314 nan 8.360 nan 0.000 0.450 146 A N 1.555 124.445 122.820 0.116 0.000 1.841 146 A HA -0.270 4.049 4.320 -0.002 0.000 0.216 146 A C 2.113 179.899 177.584 0.338 0.000 1.199 146 A CA 1.887 54.086 52.037 0.270 0.000 0.621 146 A CB -0.615 18.570 19.000 0.308 0.000 0.835 146 A HN 0.060 nan 8.150 nan 0.000 0.445 147 K N -0.140 120.395 120.400 0.225 0.000 2.077 147 K HA -0.257 4.062 4.320 -0.002 0.000 0.213 147 K C 1.876 178.565 176.600 0.148 0.000 1.051 147 K CA 2.446 58.843 56.287 0.183 0.000 0.929 147 K CB -0.385 32.174 32.500 0.097 0.000 0.715 147 K HN 0.529 nan 8.250 nan 0.000 0.451 148 E N 0.500 120.751 120.200 0.084 0.000 2.047 148 E HA -0.152 4.197 4.350 -0.002 0.000 0.191 148 E C 1.857 178.465 176.600 0.013 0.000 0.987 148 E CA 0.973 57.397 56.400 0.039 0.000 0.799 148 E CB -0.347 29.361 29.700 0.013 0.000 0.752 148 E HN 0.215 nan 8.360 nan 0.000 0.449 149 L N 0.084 121.290 121.223 -0.028 0.000 1.997 149 L HA -0.172 4.167 4.340 -0.002 0.000 0.216 149 L C 0.518 177.209 176.870 -0.298 0.000 1.074 149 L CA 1.715 56.431 54.840 -0.207 0.000 0.763 149 L CB -0.520 41.331 42.059 -0.347 0.000 0.890 149 L HN 0.053 nan 8.230 nan 0.000 0.434 150 F N 0.219 120.184 119.950 0.024 0.000 2.626 150 F HA 0.199 4.725 4.527 -0.001 0.000 0.353 150 F C 1.736 177.554 175.800 0.030 0.000 1.230 150 F CA 0.370 58.396 58.000 0.043 0.000 1.298 150 F CB -0.442 38.599 39.000 0.068 0.000 1.670 150 F HN 0.096 nan 8.300 nan 0.000 0.633 151 S N 1.881 117.634 115.700 0.089 0.000 2.412 151 S HA -0.198 4.271 4.470 -0.002 0.000 0.199 151 S C 1.873 176.510 174.600 0.061 0.000 1.099 151 S CA 1.338 59.572 58.200 0.056 0.000 1.243 151 S CB -0.292 62.917 63.200 0.014 0.000 0.996 151 S HN 0.613 nan 8.310 nan 0.000 0.402 152 N N 1.623 120.353 118.700 0.050 0.000 2.661 152 N HA -0.055 4.684 4.740 -0.002 0.000 0.196 152 N C -0.644 174.898 175.510 0.054 0.000 1.129 152 N CA 0.733 53.807 53.050 0.042 0.000 0.938 152 N CB -0.103 38.414 38.487 0.050 0.000 0.966 152 N HN 0.279 nan 8.380 nan 0.000 0.450 153 D N -0.076 120.394 120.400 0.116 0.000 2.485 153 D HA 0.012 4.651 4.640 -0.002 0.000 0.256 153 D C 0.804 177.120 176.300 0.026 0.000 1.141 153 D CA -0.197 53.888 54.000 0.142 0.000 0.942 153 D CB 0.278 41.299 40.800 0.369 0.000 1.003 153 D HN 0.239 nan 8.370 nan 0.000 0.507 154 E N 1.688 121.756 120.200 -0.220 0.000 2.171 154 E HA -0.264 4.085 4.350 -0.002 0.000 0.197 154 E C 0.835 177.273 176.600 -0.270 0.000 0.997 154 E CA 1.241 57.462 56.400 -0.299 0.000 0.810 154 E CB -0.428 28.986 29.700 -0.478 0.000 0.738 154 E HN 0.503 nan 8.360 nan 0.000 0.467 155 Y N 1.690 121.974 120.300 -0.026 0.000 2.200 155 Y HA -0.048 4.500 4.550 -0.002 0.000 0.290 155 Y C 2.439 178.453 175.900 0.190 0.000 1.137 155 Y CA 0.929 59.045 58.100 0.027 0.000 1.163 155 Y CB -0.358 38.326 38.460 0.374 0.000 0.988 155 Y HN -0.070 nan 8.280 nan 0.000 0.518 156 K N 0.466 121.034 120.400 0.279 0.000 2.057 156 K HA -0.074 4.245 4.320 -0.002 0.000 0.206 156 K C 2.136 178.709 176.600 -0.045 0.000 1.050 156 K CA 0.950 57.264 56.287 0.044 0.000 0.935 156 K CB -0.956 31.481 32.500 -0.105 0.000 0.715 156 K HN 0.363 nan 8.250 nan 0.000 0.439 157 L N 1.386 122.627 121.223 0.030 0.000 1.989 157 L HA -0.209 4.130 4.340 -0.002 0.000 0.211 157 L C 2.426 179.311 176.870 0.025 0.000 1.071 157 L CA 1.355 56.211 54.840 0.027 0.000 0.749 157 L CB -0.588 41.488 42.059 0.028 0.000 0.890 157 L HN 0.172 nan 8.230 nan 0.000 0.431 158 E N 0.208 120.427 120.200 0.031 0.000 2.086 158 E HA -0.263 4.086 4.350 -0.002 0.000 0.200 158 E C 2.247 178.932 176.600 0.141 0.000 1.012 158 E CA 1.491 57.932 56.400 0.069 0.000 0.812 158 E CB -0.462 29.263 29.700 0.042 0.000 0.743 158 E HN 0.307 nan 8.360 nan 0.000 0.453 159 L N 0.543 121.876 121.223 0.183 0.000 1.976 159 L HA -0.174 4.165 4.340 -0.002 0.000 0.209 159 L C 2.588 179.484 176.870 0.044 0.000 1.071 159 L CA 1.163 56.084 54.840 0.134 0.000 0.746 159 L CB -0.767 41.363 42.059 0.118 0.000 0.890 159 L HN 0.134 nan 8.230 nan 0.000 0.432 160 I N -0.207 120.353 120.570 -0.016 0.000 2.315 160 I HA -0.244 3.925 4.170 -0.002 0.000 0.251 160 I C 0.662 176.787 176.117 0.013 0.000 1.125 160 I CA 0.780 62.064 61.300 -0.027 0.000 1.392 160 I CB -0.402 37.562 38.000 -0.059 0.000 1.065 160 I HN 0.236 nan 8.210 nan 0.000 0.424 161 D N 1.319 121.735 120.400 0.027 0.000 2.451 161 D HA 0.418 5.057 4.640 -0.002 0.000 0.254 161 D C -0.483 175.836 176.300 0.032 0.000 1.204 161 D CA 1.098 55.116 54.000 0.031 0.000 0.896 161 D CB 0.106 40.925 40.800 0.032 0.000 1.136 161 D HN 0.447 nan 8.370 nan 0.000 0.499 162 A N 4.168 127.004 122.820 0.025 0.000 2.104 162 A HA 0.227 4.546 4.320 -0.002 0.000 0.294 162 A C -0.225 177.370 177.584 0.018 0.000 0.988 162 A CA -0.631 51.419 52.037 0.022 0.000 0.992 162 A CB -0.289 18.724 19.000 0.021 0.000 1.198 162 A HN 0.496 nan 8.150 nan 0.000 0.345 163 I N 2.100 122.679 120.570 0.016 0.000 3.816 163 I HA 0.161 4.329 4.170 -0.002 0.000 0.334 163 I C -1.337 174.786 176.117 0.011 0.000 1.551 163 I CA -1.023 60.286 61.300 0.014 0.000 1.153 163 I CB -0.344 37.664 38.000 0.013 0.000 1.197 163 I HN 0.460 nan 8.210 nan 0.000 0.439 164 P HA 0.079 nan 4.420 nan 0.000 0.313 164 P C 1.034 178.339 177.300 0.008 0.000 1.419 164 P CA 0.450 63.555 63.100 0.009 0.000 0.842 164 P CB 0.363 32.068 31.700 0.008 0.000 2.041 165 E N -0.122 120.083 120.200 0.007 0.000 2.182 165 E HA 0.067 4.416 4.350 -0.002 0.000 0.195 165 E C -0.286 176.319 176.600 0.008 0.000 0.933 165 E CA 0.636 57.041 56.400 0.007 0.000 0.940 165 E CB -1.104 28.599 29.700 0.006 0.000 0.945 165 E HN 0.313 nan 8.360 nan 0.000 0.477 166 D N 1.445 121.849 120.400 0.007 0.000 2.313 166 D HA 0.457 5.096 4.640 -0.002 0.000 0.239 166 D C -0.596 175.709 176.300 0.008 0.000 1.142 166 D CA 0.118 54.123 54.000 0.007 0.000 0.847 166 D CB 1.416 42.219 40.800 0.006 0.000 1.082 166 D HN 0.060 nan 8.370 nan 0.000 0.480 167 E N 1.781 121.987 120.200 0.010 0.000 2.388 167 E HA 0.339 4.688 4.350 -0.002 0.000 0.280 167 E C -1.570 175.038 176.600 0.014 0.000 1.019 167 E CA -0.825 55.582 56.400 0.012 0.000 0.806 167 E CB 1.506 31.214 29.700 0.013 0.000 1.246 167 E HN 0.333 nan 8.360 nan 0.000 0.443 168 N N 1.683 120.392 118.700 0.015 0.000 2.533 168 N HA 0.314 5.053 4.740 -0.002 0.000 0.289 168 N C -1.547 173.976 175.510 0.022 0.000 1.103 168 N CA -0.519 52.542 53.050 0.019 0.000 0.877 168 N CB 2.130 40.627 38.487 0.018 0.000 1.419 168 N HN 0.207 nan 8.380 nan 0.000 0.517 169 V N 0.689 120.620 119.914 0.027 0.000 2.370 169 V HA 0.740 4.859 4.120 -0.002 0.000 0.283 169 V C 0.274 176.393 176.094 0.041 0.000 1.023 169 V CA -0.236 62.084 62.300 0.033 0.000 0.857 169 V CB 0.755 32.601 31.823 0.037 0.000 0.985 169 V HN 0.612 nan 8.190 nan 0.000 0.443 170 T N 3.465 118.046 114.554 0.046 0.000 2.926 170 T HA 0.847 5.195 4.350 -0.002 0.000 0.289 170 T C -0.637 174.102 174.700 0.065 0.000 1.054 170 T CA -0.941 61.188 62.100 0.049 0.000 1.015 170 T CB 1.906 70.802 68.868 0.045 0.000 1.167 170 T HN 0.715 nan 8.240 nan 0.000 0.526 171 L N 1.482 122.736 121.223 0.051 0.000 2.408 171 L HA 0.501 4.840 4.340 -0.002 0.000 0.268 171 L C -1.214 175.656 176.870 -0.000 0.000 0.986 171 L CA -1.426 53.443 54.840 0.048 0.000 0.820 171 L CB 2.102 44.184 42.059 0.040 0.000 1.303 171 L HN 0.857 nan 8.230 nan 0.000 0.411 172 Y N 2.015 122.206 120.300 -0.181 0.000 2.383 172 Y HA 0.575 5.125 4.550 -0.001 0.000 0.344 172 Y C -0.316 175.370 175.900 -0.357 0.000 0.986 172 Y CA -0.190 57.708 58.100 -0.338 0.000 1.175 172 Y CB 1.571 39.684 38.460 -0.579 0.000 1.152 172 Y HN 0.497 nan 8.280 nan 0.000 0.511 173 S N 5.355 120.678 115.700 -0.627 0.000 2.552 173 S HA 0.247 4.715 4.470 -0.002 0.000 0.314 173 S C -0.795 173.441 174.600 -0.605 0.000 1.099 173 S CA -0.779 57.017 58.200 -0.674 0.000 1.070 173 S CB 1.034 64.019 63.200 -0.358 0.000 0.998 173 S HN 0.873 nan 8.310 nan 0.000 0.474 174 Q N 4.124 123.543 119.800 -0.636 0.000 2.824 174 Q HA 0.456 4.795 4.340 -0.002 0.000 0.371 174 Q C 1.193 177.119 176.000 -0.124 0.000 1.071 174 Q CA 0.376 56.001 55.803 -0.297 0.000 1.064 174 Q CB -0.390 28.246 28.738 -0.170 0.000 1.332 174 Q HN 1.111 nan 8.270 nan 0.000 0.445 175 G N 2.097 110.808 108.800 -0.147 0.000 3.815 175 G HA2 -0.487 3.471 3.960 -0.002 0.000 0.223 175 G HA3 -0.487 3.471 3.960 -0.002 0.000 0.223 175 G C 0.814 175.663 174.900 -0.084 0.000 1.393 175 G CA 1.030 46.075 45.100 -0.092 0.000 1.209 175 G HN 0.619 nan 8.290 nan 0.000 0.635 176 D N -0.009 120.371 120.400 -0.034 0.000 2.306 176 D HA 0.139 4.778 4.640 -0.002 0.000 0.239 176 D C 1.082 177.299 176.300 -0.137 0.000 1.105 176 D CA 0.107 54.074 54.000 -0.055 0.000 0.950 176 D CB -0.385 40.425 40.800 0.017 0.000 1.036 176 D HN 0.284 nan 8.370 nan 0.000 0.428 177 F N 1.623 121.310 119.950 -0.439 0.000 2.538 177 F HA 0.300 4.825 4.527 -0.003 0.000 0.371 177 F C -0.496 175.081 175.800 -0.372 0.000 1.087 177 F CA 0.078 57.786 58.000 -0.487 0.000 1.250 177 F CB 0.583 39.129 39.000 -0.757 0.000 1.110 177 F HN -0.202 nan 8.300 nan 0.000 0.570 178 T N 5.973 119.997 114.554 -0.882 0.000 2.841 178 T HA 0.317 4.666 4.350 -0.002 0.000 0.285 178 T C -1.351 172.879 174.700 -0.783 0.000 0.991 178 T CA -0.616 61.020 62.100 -0.774 0.000 0.966 178 T CB 1.400 70.038 68.868 -0.384 0.000 0.962 178 T HN 0.648 nan 8.240 nan 0.000 0.438 179 D N 1.432 121.463 120.400 -0.616 0.000 2.450 179 D HA 0.482 5.121 4.640 -0.002 0.000 0.238 179 D C -0.668 175.703 176.300 0.118 0.000 1.020 179 D CA -0.765 53.158 54.000 -0.129 0.000 1.010 179 D CB 1.616 42.473 40.800 0.095 0.000 1.342 179 D HN 0.352 nan 8.370 nan 0.000 0.530 180 L N 2.237 123.541 121.223 0.134 0.000 2.956 180 L HA 0.370 4.709 4.340 -0.002 0.000 0.232 180 L C -0.848 176.094 176.870 0.120 0.000 1.291 180 L CA -0.371 54.502 54.840 0.055 0.000 1.122 180 L CB -0.104 41.832 42.059 -0.205 0.000 1.461 180 L HN 0.412 nan 8.230 nan 0.000 0.470 181 C N 0.092 119.527 119.300 0.225 0.000 2.401 181 C HA 0.501 4.960 4.460 -0.002 0.000 0.356 181 C C 1.478 176.588 174.990 0.200 0.000 1.192 181 C CA -0.521 58.648 59.018 0.252 0.000 2.028 181 C CB 1.498 29.543 27.740 0.508 0.000 2.344 181 C HN 0.838 nan 8.230 nan 0.000 0.525 182 R N 1.122 121.703 120.500 0.135 0.000 2.517 182 R HA 0.233 4.572 4.340 -0.002 0.000 0.265 182 R C 0.934 177.275 176.300 0.069 0.000 0.921 182 R CA 0.182 56.340 56.100 0.096 0.000 1.054 182 R CB 0.492 30.817 30.300 0.042 0.000 1.340 182 R HN 0.819 nan 8.270 nan 0.000 0.551 183 G N 0.855 109.645 108.800 -0.016 0.000 2.527 183 G HA2 0.259 4.218 3.960 -0.002 0.000 0.248 183 G HA3 0.259 4.218 3.960 -0.002 0.000 0.248 183 G C 0.039 174.889 174.900 -0.083 0.000 1.231 183 G CA -0.393 44.601 45.100 -0.176 0.000 0.838 183 G HN -0.088 nan 8.290 nan 0.000 0.570 184 V N 2.066 121.924 119.914 -0.093 0.000 2.599 184 V HA 0.100 4.219 4.120 -0.002 0.000 0.300 184 V C 0.283 176.332 176.094 -0.075 0.000 1.034 184 V CA 0.267 62.574 62.300 0.010 0.000 1.115 184 V CB 0.078 31.901 31.823 -0.001 0.000 0.934 184 V HN 0.728 nan 8.190 nan 0.000 0.485 185 H N 1.864 120.988 119.070 0.090 0.000 2.615 185 H HA 0.534 5.089 4.556 -0.002 0.000 0.346 185 H C -0.035 175.327 175.328 0.056 0.000 1.200 185 H CA -0.774 55.324 56.048 0.083 0.000 1.264 185 H CB 1.447 31.239 29.762 0.050 0.000 1.699 185 H HN 0.448 nan 8.280 nan 0.000 0.567 186 V N 3.211 123.223 119.914 0.163 0.000 2.999 186 V HA 0.058 4.176 4.120 -0.002 0.000 0.307 186 V C -1.450 174.716 176.094 0.120 0.000 1.084 186 V CA -1.046 61.327 62.300 0.121 0.000 1.155 186 V CB 1.053 32.931 31.823 0.093 0.000 0.975 186 V HN 0.827 nan 8.190 nan 0.000 0.490 187 P HA 0.168 nan 4.420 nan 0.000 0.253 187 P C -0.322 177.012 177.300 0.057 0.000 1.459 187 P CA 0.303 63.443 63.100 0.066 0.000 0.908 187 P CB 0.470 32.197 31.700 0.046 0.000 1.470 188 S N -0.784 114.956 115.700 0.066 0.000 2.754 188 S HA 0.108 4.577 4.470 -0.002 0.000 0.302 188 S C 0.564 175.198 174.600 0.057 0.000 0.922 188 S CA -0.173 58.059 58.200 0.053 0.000 0.822 188 S CB -0.226 63.002 63.200 0.046 0.000 1.020 188 S HN 0.114 nan 8.310 nan 0.000 0.475 189 T N 1.186 115.765 114.554 0.041 0.000 3.148 189 T HA 0.323 4.672 4.350 -0.002 0.000 0.253 189 T C 1.457 176.178 174.700 0.035 0.000 1.134 189 T CA 0.746 62.862 62.100 0.026 0.000 1.051 189 T CB 0.001 68.868 68.868 -0.001 0.000 0.959 189 T HN 0.956 nan 8.240 nan 0.000 0.525 190 A N 1.453 124.301 122.820 0.046 0.000 2.218 190 A HA 0.263 4.582 4.320 -0.002 0.000 0.209 190 A C 2.062 179.695 177.584 0.081 0.000 1.168 190 A CA 0.074 52.145 52.037 0.056 0.000 0.804 190 A CB -0.238 18.788 19.000 0.045 0.000 0.834 190 A HN 0.503 nan 8.150 nan 0.000 0.482 191 K N -0.241 120.215 120.400 0.093 0.000 2.444 191 K HA 0.268 4.587 4.320 -0.002 0.000 0.193 191 K C -0.512 176.174 176.600 0.143 0.000 1.024 191 K CA 0.250 56.621 56.287 0.140 0.000 1.077 191 K CB 0.182 32.783 32.500 0.168 0.000 0.833 191 K HN 0.445 nan 8.250 nan 0.000 0.517 192 I N 1.697 122.332 120.570 0.109 0.000 2.377 192 I HA 0.099 4.268 4.170 -0.002 0.000 0.282 192 I C 0.631 176.905 176.117 0.262 0.000 1.091 192 I CA -0.082 61.292 61.300 0.123 0.000 1.207 192 I CB 0.703 38.709 38.000 0.010 0.000 1.429 192 I HN 0.002 nan 8.210 nan 0.000 0.491 193 K N 2.342 122.878 120.400 0.226 0.000 2.403 193 K HA 0.195 4.514 4.320 -0.002 0.000 0.199 193 K C 0.065 176.662 176.600 -0.005 0.000 1.199 193 K CA 0.043 56.415 56.287 0.142 0.000 0.924 193 K CB 0.819 33.371 32.500 0.087 0.000 1.137 193 K HN 0.257 nan 8.250 nan 0.000 0.510 194 E N 1.811 122.049 120.200 0.063 0.000 2.042 194 E HA 0.211 4.560 4.350 -0.002 0.000 0.260 194 E C -0.847 175.798 176.600 0.074 0.000 0.975 194 E CA -0.203 56.195 56.400 -0.002 0.000 0.799 194 E CB 0.147 29.899 29.700 0.087 0.000 1.131 194 E HN 0.091 nan 8.360 nan 0.000 0.423 195 F N -0.264 119.718 119.950 0.054 0.000 2.662 195 F HA 0.781 5.306 4.527 -0.002 0.000 0.312 195 F C -0.808 175.035 175.800 0.072 0.000 1.113 195 F CA -1.486 56.554 58.000 0.066 0.000 0.951 195 F CB 1.650 40.682 39.000 0.052 0.000 1.344 195 F HN -0.062 nan 8.300 nan 0.000 0.462 196 K N 1.581 122.150 120.400 0.281 0.000 2.542 196 K HA 0.606 4.925 4.320 -0.002 0.000 0.259 196 K C -2.283 174.340 176.600 0.040 0.000 0.932 196 K CA -0.555 55.808 56.287 0.126 0.000 0.820 196 K CB 2.110 34.641 32.500 0.052 0.000 1.345 196 K HN 0.904 nan 8.250 nan 0.000 0.432 197 L N 6.678 127.819 121.223 -0.136 0.000 2.265 197 L HA 0.314 4.653 4.340 -0.002 0.000 0.288 197 L C 0.622 177.028 176.870 -0.773 0.000 1.058 197 L CA -0.421 54.079 54.840 -0.566 0.000 0.809 197 L CB 0.750 42.268 42.059 -0.901 0.000 1.179 197 L HN 0.707 nan 8.230 nan 0.000 0.429 198 L N 1.717 122.645 121.223 -0.491 0.000 2.194 198 L HA 0.175 4.514 4.340 -0.002 0.000 0.197 198 L C 0.782 177.762 176.870 0.183 0.000 1.106 198 L CA 0.366 55.127 54.840 -0.133 0.000 0.785 198 L CB -0.225 41.821 42.059 -0.023 0.000 0.960 198 L HN 0.646 nan 8.230 nan 0.000 0.465 199 S N -0.973 114.887 115.700 0.268 0.000 2.632 199 S HA 0.611 5.079 4.470 -0.002 0.000 0.289 199 S C -0.470 174.471 174.600 0.567 0.000 1.115 199 S CA -0.659 57.801 58.200 0.435 0.000 0.889 199 S CB 1.829 65.131 63.200 0.171 0.000 1.116 199 S HN 0.226 nan 8.310 nan 0.000 0.486 200 T N -1.029 113.747 114.554 0.371 0.000 2.864 200 T HA 0.800 5.149 4.350 -0.002 0.000 0.310 200 T C 0.042 174.832 174.700 0.149 0.000 1.040 200 T CA -0.597 61.656 62.100 0.255 0.000 0.977 200 T CB 0.892 69.824 68.868 0.107 0.000 0.976 200 T HN 0.981 nan 8.240 nan 0.000 0.459 201 A N 2.771 125.690 122.820 0.165 0.000 2.806 201 A HA 1.085 5.404 4.320 -0.002 0.000 0.254 201 A C 0.495 178.088 177.584 0.016 0.000 1.437 201 A CA -0.610 51.480 52.037 0.088 0.000 0.903 201 A CB 0.669 19.763 19.000 0.157 0.000 1.609 201 A HN 1.377 nan 8.150 nan 0.000 0.505 202 G N -2.597 106.182 108.800 -0.035 0.000 2.742 202 G HA2 0.750 4.709 3.960 -0.002 0.000 0.296 202 G HA3 0.750 4.709 3.960 -0.002 0.000 0.296 202 G C -1.040 173.773 174.900 -0.145 0.000 1.436 202 G CA 0.299 45.358 45.100 -0.069 0.000 0.928 202 G HN 1.953 nan 8.290 nan 0.000 0.520 203 A N 0.143 122.856 122.820 -0.178 0.000 2.599 203 A HA 0.742 5.061 4.320 -0.002 0.000 0.294 203 A C -1.005 176.458 177.584 -0.202 0.000 1.055 203 A CA -0.844 50.993 52.037 -0.334 0.000 0.683 203 A CB 0.607 19.397 19.000 -0.351 0.000 1.278 203 A HN 1.847 nan 8.150 nan 0.000 0.412 204 Y N -0.554 119.750 120.300 0.007 0.000 2.356 204 Y HA 0.715 5.264 4.550 -0.002 0.000 0.341 204 Y C 0.599 176.551 175.900 0.086 0.000 1.343 204 Y CA -2.279 55.862 58.100 0.068 0.000 1.570 204 Y CB 0.245 38.754 38.460 0.081 0.000 1.558 204 Y HN 0.744 nan 8.280 nan 0.000 0.557 205 W N 2.608 124.076 121.300 0.280 0.000 2.170 205 W HA 0.203 4.862 4.660 -0.002 0.000 0.336 205 W C 0.858 177.480 176.519 0.172 0.000 1.283 205 W CA -0.227 57.210 57.345 0.153 0.000 1.224 205 W CB 0.692 30.222 29.460 0.117 0.000 1.132 205 W HN 0.823 nan 8.180 nan 0.000 0.571 206 R N 1.707 122.063 120.500 -0.240 0.000 3.988 206 R HA -0.274 4.065 4.340 -0.002 0.000 0.370 206 R C 0.996 177.347 176.300 0.084 0.000 1.201 206 R CA 1.975 58.033 56.100 -0.070 0.000 1.414 206 R CB -1.702 28.692 30.300 0.156 0.000 1.932 206 R HN 0.978 nan 8.270 nan 0.000 0.576 207 G N 1.059 110.014 108.800 0.258 0.000 2.309 207 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.183 207 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.183 207 G C -0.796 174.104 174.900 -0.000 0.000 1.063 207 G CA 0.096 45.408 45.100 0.353 0.000 0.768 207 G HN 0.474 nan 8.290 nan 0.000 0.490 208 D N -0.674 119.417 120.400 -0.515 0.000 2.575 208 D HA 0.578 5.217 4.640 -0.002 0.000 0.250 208 D C 1.318 176.860 176.300 -1.263 0.000 1.279 208 D CA 0.070 53.697 54.000 -0.622 0.000 0.925 208 D CB 1.049 41.702 40.800 -0.245 0.000 1.261 208 D HN -0.090 nan 8.370 nan 0.000 0.567 209 S N 2.674 117.705 115.700 -1.116 0.000 2.520 209 S HA -0.173 4.295 4.470 -0.002 0.000 0.249 209 S C 1.486 175.915 174.600 -0.285 0.000 0.983 209 S CA 0.780 58.571 58.200 -0.681 0.000 0.958 209 S CB -0.408 62.712 63.200 -0.133 0.000 0.750 209 S HN 0.630 nan 8.310 nan 0.000 0.527 210 N N 0.886 119.420 118.700 -0.277 0.000 2.083 210 N HA -0.039 4.700 4.740 -0.002 0.000 0.190 210 N C 0.736 176.224 175.510 -0.037 0.000 1.047 210 N CA 0.329 53.309 53.050 -0.117 0.000 0.845 210 N CB -0.025 38.399 38.487 -0.105 0.000 1.025 210 N HN 0.259 nan 8.380 nan 0.000 0.428 211 N N 1.311 120.000 118.700 -0.019 0.000 2.119 211 N HA -0.143 4.596 4.740 -0.002 0.000 0.211 211 N C -0.113 175.489 175.510 0.153 0.000 1.334 211 N CA 0.501 53.603 53.050 0.086 0.000 0.880 211 N CB 0.264 38.855 38.487 0.173 0.000 1.067 211 N HN 0.147 nan 8.380 nan 0.000 0.436 212 K N 0.404 120.919 120.400 0.192 0.000 2.276 212 K HA 0.081 4.400 4.320 -0.002 0.000 0.259 212 K C -0.199 176.525 176.600 0.208 0.000 1.001 212 K CA 0.126 56.528 56.287 0.191 0.000 0.927 212 K CB 0.375 33.013 32.500 0.230 0.000 0.969 212 K HN 0.488 nan 8.250 nan 0.000 0.490 213 M N 5.621 125.312 119.600 0.150 0.000 2.201 213 M HA 0.145 4.624 4.480 -0.002 0.000 0.345 213 M C -1.280 175.067 176.300 0.079 0.000 1.352 213 M CA -0.752 54.615 55.300 0.112 0.000 1.218 213 M CB 0.133 32.778 32.600 0.075 0.000 1.512 213 M HN 0.386 nan 8.290 nan 0.000 0.447 214 L N 5.467 126.725 121.223 0.060 0.000 2.278 214 L HA 0.245 4.584 4.340 -0.002 0.000 0.287 214 L C 0.088 176.948 176.870 -0.017 0.000 1.072 214 L CA 0.481 55.331 54.840 0.017 0.000 0.819 214 L CB 1.182 43.224 42.059 -0.028 0.000 1.176 214 L HN 0.621 nan 8.230 nan 0.000 0.435 215 Q N 4.015 123.823 119.800 0.013 0.000 2.324 215 Q HA 0.194 4.532 4.340 -0.002 0.000 0.257 215 Q C 0.002 175.986 176.000 -0.027 0.000 1.080 215 Q CA 0.066 55.876 55.803 0.011 0.000 0.907 215 Q CB 0.638 29.401 28.738 0.043 0.000 1.274 215 Q HN 0.357 nan 8.270 nan 0.000 0.434 216 R N 3.281 123.723 120.500 -0.097 0.000 2.410 216 R HA 0.415 4.754 4.340 -0.002 0.000 0.288 216 R C -0.797 175.408 176.300 -0.158 0.000 1.051 216 R CA -0.250 55.719 56.100 -0.218 0.000 1.021 216 R CB 0.662 30.778 30.300 -0.307 0.000 1.032 216 R HN 0.588 nan 8.270 nan 0.000 0.481 217 I N 4.562 124.989 120.570 -0.239 0.000 2.418 217 I HA 0.212 4.381 4.170 -0.002 0.000 0.287 217 I C -1.055 174.908 176.117 -0.257 0.000 1.008 217 I CA -0.892 60.369 61.300 -0.065 0.000 1.104 217 I CB 1.551 39.632 38.000 0.135 0.000 1.264 217 I HN 0.596 nan 8.210 nan 0.000 0.438 218 Y N 4.265 124.541 120.300 -0.040 0.000 2.327 218 Y HA 0.620 5.169 4.550 -0.002 0.000 0.336 218 Y C 0.823 176.513 175.900 -0.350 0.000 1.035 218 Y CA -0.035 57.965 58.100 -0.166 0.000 1.165 218 Y CB 1.716 40.108 38.460 -0.114 0.000 1.181 218 Y HN 0.587 nan 8.280 nan 0.000 0.494 219 G N 0.786 109.231 108.800 -0.592 0.000 2.708 219 G HA2 0.564 4.523 3.960 -0.002 0.000 0.289 219 G HA3 0.564 4.523 3.960 -0.002 0.000 0.289 219 G C -1.438 172.791 174.900 -1.117 0.000 1.416 219 G CA -0.753 43.848 45.100 -0.832 0.000 0.829 219 G HN 0.516 nan 8.290 nan 0.000 0.480 220 T N -1.860 112.400 114.554 -0.489 0.000 2.843 220 T HA 0.827 5.176 4.350 -0.002 0.000 0.302 220 T C -1.280 173.502 174.700 0.137 0.000 1.232 220 T CA 0.395 62.375 62.100 -0.199 0.000 1.009 220 T CB 1.633 70.395 68.868 -0.177 0.000 1.254 220 T HN 2.006 nan 8.240 nan 0.000 0.504 221 A N 1.772 124.543 122.820 -0.082 0.000 2.594 221 A HA 0.852 5.170 4.320 -0.002 0.000 0.295 221 A C -2.017 175.239 177.584 -0.546 0.000 1.071 221 A CA -0.593 51.407 52.037 -0.062 0.000 0.685 221 A CB 1.146 20.173 19.000 0.045 0.000 1.285 221 A HN 0.633 nan 8.150 nan 0.000 0.405 222 F N -0.377 119.521 119.950 -0.088 0.000 2.629 222 F HA 0.634 5.159 4.527 -0.002 0.000 0.316 222 F C 0.476 176.179 175.800 -0.162 0.000 1.081 222 F CA -0.368 57.548 58.000 -0.141 0.000 0.954 222 F CB 1.686 40.657 39.000 -0.048 0.000 1.337 222 F HN 0.570 nan 8.300 nan 0.000 0.474 223 F N -0.200 119.892 119.950 0.237 0.000 2.335 223 F HA 0.018 4.543 4.527 -0.002 0.000 0.296 223 F C 0.943 176.822 175.800 0.132 0.000 1.091 223 F CA 0.678 58.764 58.000 0.142 0.000 1.399 223 F CB 0.008 39.072 39.000 0.106 0.000 1.067 223 F HN 0.241 nan 8.300 nan 0.000 0.520 224 D N 0.012 120.616 120.400 0.339 0.000 2.303 224 D HA 0.100 4.739 4.640 -0.002 0.000 0.236 224 D C 1.010 177.377 176.300 0.111 0.000 1.068 224 D CA -0.187 53.925 54.000 0.185 0.000 0.830 224 D CB 1.313 42.196 40.800 0.138 0.000 1.109 224 D HN -0.009 nan 8.370 nan 0.000 0.496 225 K N 3.506 123.953 120.400 0.079 0.000 2.173 225 K HA -0.220 4.099 4.320 -0.002 0.000 0.207 225 K C 1.468 178.067 176.600 -0.002 0.000 1.046 225 K CA 1.243 57.554 56.287 0.040 0.000 0.929 225 K CB 0.225 32.740 32.500 0.025 0.000 0.720 225 K HN 0.326 nan 8.250 nan 0.000 0.453 226 K N 0.693 121.086 120.400 -0.012 0.000 1.965 226 K HA -0.178 4.141 4.320 -0.002 0.000 0.218 226 K C 1.925 178.452 176.600 -0.121 0.000 1.048 226 K CA 2.086 58.344 56.287 -0.047 0.000 0.960 226 K CB -0.170 32.312 32.500 -0.031 0.000 0.732 226 K HN 0.240 nan 8.250 nan 0.000 0.444 227 E N 0.820 120.909 120.200 -0.185 0.000 2.284 227 E HA -0.234 4.115 4.350 -0.002 0.000 0.200 227 E C 1.878 178.053 176.600 -0.709 0.000 1.008 227 E CA 0.749 56.897 56.400 -0.420 0.000 0.829 227 E CB -0.068 29.354 29.700 -0.463 0.000 0.744 227 E HN 0.160 nan 8.360 nan 0.000 0.491 228 L N 1.107 122.076 121.223 -0.423 0.000 1.993 228 L HA -0.170 4.169 4.340 -0.002 0.000 0.206 228 L C 2.045 178.870 176.870 -0.074 0.000 1.074 228 L CA 1.696 56.418 54.840 -0.197 0.000 0.746 228 L CB -0.195 41.907 42.059 0.071 0.000 0.896 228 L HN -0.160 nan 8.230 nan 0.000 0.435 229 K N 0.065 120.432 120.400 -0.055 0.000 2.032 229 K HA -0.266 4.053 4.320 -0.002 0.000 0.218 229 K C 2.086 178.661 176.600 -0.042 0.000 1.054 229 K CA 1.834 58.102 56.287 -0.031 0.000 0.941 229 K CB -1.062 31.418 32.500 -0.034 0.000 0.720 229 K HN 0.525 nan 8.250 nan 0.000 0.449 230 A N 0.798 123.570 122.820 -0.080 0.000 1.896 230 A HA -0.291 4.027 4.320 -0.002 0.000 0.220 230 A C 2.153 179.697 177.584 -0.066 0.000 1.206 230 A CA 2.473 54.461 52.037 -0.082 0.000 0.647 230 A CB -1.032 17.899 19.000 -0.116 0.000 0.828 230 A HN 0.540 nan 8.150 nan 0.000 0.455 231 H N -0.319 118.635 119.070 -0.194 0.000 2.290 231 H HA -0.040 4.515 4.556 -0.002 0.000 0.298 231 H C 1.846 177.157 175.328 -0.029 0.000 1.087 231 H CA 2.005 57.987 56.048 -0.110 0.000 1.291 231 H CB -0.205 29.496 29.762 -0.103 0.000 1.369 231 H HN 0.319 nan 8.280 nan 0.000 0.492 232 L N 0.201 121.454 121.223 0.051 0.000 2.131 232 L HA -0.195 4.144 4.340 -0.002 0.000 0.210 232 L C 2.303 179.143 176.870 -0.050 0.000 1.092 232 L CA 1.493 56.337 54.840 0.006 0.000 0.759 232 L CB -0.661 41.429 42.059 0.052 0.000 0.903 232 L HN 0.548 nan 8.230 nan 0.000 0.435 233 Q N -0.852 118.916 119.800 -0.054 0.000 2.046 233 Q HA -0.226 4.113 4.340 -0.002 0.000 0.200 233 Q C 2.266 178.218 176.000 -0.081 0.000 0.975 233 Q CA 1.171 56.940 55.803 -0.055 0.000 0.836 233 Q CB -0.203 28.506 28.738 -0.048 0.000 0.896 233 Q HN 0.392 nan 8.270 nan 0.000 0.428 234 M N 0.958 120.489 119.600 -0.114 0.000 2.144 234 M HA -0.173 4.306 4.480 -0.002 0.000 0.260 234 M C 1.765 177.971 176.300 -0.157 0.000 1.067 234 M CA 1.612 56.828 55.300 -0.138 0.000 1.095 234 M CB -0.334 32.160 32.600 -0.176 0.000 1.365 234 M HN 0.269 nan 8.290 nan 0.000 0.406 235 L N -0.302 120.805 121.223 -0.193 0.000 2.395 235 L HA -0.129 4.210 4.340 -0.002 0.000 0.218 235 L C 2.009 178.825 176.870 -0.090 0.000 1.130 235 L CA 0.505 55.252 54.840 -0.154 0.000 0.826 235 L CB -0.293 41.669 42.059 -0.161 0.000 0.941 235 L HN 0.230 nan 8.230 nan 0.000 0.451 236 E N 0.205 120.361 120.200 -0.074 0.000 2.102 236 E HA -0.123 4.225 4.350 -0.002 0.000 0.190 236 E C 1.955 178.523 176.600 -0.054 0.000 0.971 236 E CA 0.713 57.083 56.400 -0.051 0.000 0.821 236 E CB 0.160 29.838 29.700 -0.038 0.000 0.777 236 E HN 0.354 nan 8.360 nan 0.000 0.460 237 E N 0.123 120.286 120.200 -0.061 0.000 2.118 237 E HA -0.195 4.154 4.350 -0.002 0.000 0.195 237 E C 2.154 178.716 176.600 -0.063 0.000 0.992 237 E CA 0.932 57.297 56.400 -0.058 0.000 0.804 237 E CB -0.061 29.604 29.700 -0.060 0.000 0.741 237 E HN 0.089 nan 8.360 nan 0.000 0.458 238 R N 0.986 121.444 120.500 -0.070 0.000 2.070 238 R HA -0.110 4.228 4.340 -0.002 0.000 0.233 238 R C 2.208 178.472 176.300 -0.060 0.000 1.137 238 R CA 1.398 57.456 56.100 -0.069 0.000 0.945 238 R CB -0.132 30.122 30.300 -0.076 0.000 0.845 238 R HN 0.051 nan 8.270 nan 0.000 0.430 239 K N 0.361 120.728 120.400 -0.056 0.000 2.286 239 K HA -0.198 4.121 4.320 -0.002 0.000 0.203 239 K C 1.815 178.386 176.600 -0.049 0.000 1.045 239 K CA 1.208 57.466 56.287 -0.048 0.000 0.935 239 K CB -0.026 32.449 32.500 -0.041 0.000 0.737 239 K HN 0.358 nan 8.250 nan 0.000 0.460 240 E N 0.378 120.547 120.200 -0.051 0.000 2.170 240 E HA -0.070 4.279 4.350 -0.002 0.000 0.191 240 E C 1.492 178.057 176.600 -0.060 0.000 0.981 240 E CA 0.486 56.854 56.400 -0.053 0.000 0.830 240 E CB 0.240 29.910 29.700 -0.050 0.000 0.775 240 E HN 0.246 nan 8.360 nan 0.000 0.470 241 R N 1.306 121.767 120.500 -0.066 0.000 2.313 241 R HA 0.041 4.380 4.340 -0.002 0.000 0.199 241 R C 0.531 176.798 176.300 -0.055 0.000 0.958 241 R CA 0.044 56.096 56.100 -0.080 0.000 1.047 241 R CB -0.025 30.214 30.300 -0.102 0.000 0.955 241 R HN 0.037 nan 8.270 nan 0.000 0.481 242 D N 1.841 122.220 120.400 -0.035 0.000 2.450 242 D HA -0.107 4.532 4.640 -0.002 0.000 0.247 242 D C 1.191 177.507 176.300 0.026 0.000 1.162 242 D CA 0.199 54.205 54.000 0.010 0.000 0.879 242 D CB 0.671 41.460 40.800 -0.017 0.000 1.163 242 D HN 0.402 nan 8.370 nan 0.000 0.472 243 H N 4.791 123.839 119.070 -0.036 0.000 2.492 243 H HA -0.132 4.423 4.556 -0.002 0.000 0.296 243 H C 1.178 176.555 175.328 0.081 0.000 1.095 243 H CA 1.024 57.082 56.048 0.016 0.000 1.281 243 H CB -0.067 29.705 29.762 0.016 0.000 1.374 243 H HN 0.459 nan 8.280 nan 0.000 0.545 244 R N 0.504 120.718 120.500 -0.477 0.000 2.148 244 R HA -0.009 4.330 4.340 -0.002 0.000 0.223 244 R C 2.500 178.668 176.300 -0.220 0.000 1.088 244 R CA 1.154 57.026 56.100 -0.379 0.000 0.985 244 R CB 0.133 30.225 30.300 -0.347 0.000 0.880 244 R HN 0.330 nan 8.270 nan 0.000 0.451 245 K N 0.877 121.187 120.400 -0.149 0.000 2.044 245 K HA 0.028 4.347 4.320 -0.002 0.000 0.204 245 K C 1.909 178.441 176.600 -0.113 0.000 1.045 245 K CA 0.796 57.010 56.287 -0.122 0.000 0.951 245 K CB 0.118 32.565 32.500 -0.088 0.000 0.738 245 K HN 0.015 nan 8.250 nan 0.000 0.443 246 I N 1.047 121.570 120.570 -0.078 0.000 2.423 246 I HA -0.202 3.967 4.170 -0.002 0.000 0.254 246 I C 2.295 178.385 176.117 -0.044 0.000 1.151 246 I CA 1.231 62.498 61.300 -0.055 0.000 1.421 246 I CB -0.737 37.238 38.000 -0.041 0.000 1.079 246 I HN 0.398 nan 8.210 nan 0.000 0.431 247 G N 1.187 109.946 108.800 -0.069 0.000 2.484 247 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.215 247 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.215 247 G C 1.699 176.372 174.900 -0.378 0.000 1.219 247 G CA 0.824 45.805 45.100 -0.198 0.000 0.791 247 G HN 0.280 nan 8.290 nan 0.000 0.550 248 K N 0.244 120.404 120.400 -0.400 0.000 2.009 248 K HA -0.149 4.170 4.320 -0.002 0.000 0.210 248 K C 2.408 178.899 176.600 -0.181 0.000 1.049 248 K CA 1.782 57.884 56.287 -0.308 0.000 0.929 248 K CB -0.252 32.103 32.500 -0.242 0.000 0.714 248 K HN 0.355 nan 8.250 nan 0.000 0.440 249 E N 0.069 120.187 120.200 -0.137 0.000 2.082 249 E HA -0.214 4.135 4.350 -0.002 0.000 0.215 249 E C 0.872 177.432 176.600 -0.067 0.000 1.048 249 E CA 1.858 58.206 56.400 -0.088 0.000 0.869 249 E CB -0.024 29.631 29.700 -0.075 0.000 0.773 249 E HN 0.140 nan 8.360 nan 0.000 0.466 250 L N 1.471 122.663 121.223 -0.051 0.000 2.805 250 L HA 0.112 4.451 4.340 -0.002 0.000 0.237 250 L C -0.325 176.538 176.870 -0.011 0.000 1.252 250 L CA 0.594 55.425 54.840 -0.015 0.000 1.064 250 L CB -0.959 41.121 42.059 0.034 0.000 1.361 250 L HN 0.137 nan 8.230 nan 0.000 0.474 251 E N -0.768 119.400 120.200 -0.053 0.000 2.294 251 E HA -0.284 4.065 4.350 -0.002 0.000 0.228 251 E C 1.161 177.755 176.600 -0.010 0.000 1.253 251 E CA 0.177 56.547 56.400 -0.051 0.000 0.716 251 E CB -1.301 28.387 29.700 -0.020 0.000 1.184 251 E HN 0.549 nan 8.360 nan 0.000 0.374 252 L N -0.834 120.381 121.223 -0.013 0.000 2.162 252 L HA 0.097 4.435 4.340 -0.002 0.000 0.205 252 L C 0.995 178.009 176.870 0.240 0.000 1.086 252 L CA 1.035 55.966 54.840 0.152 0.000 0.778 252 L CB -0.084 42.154 42.059 0.298 0.000 0.928 252 L HN 0.324 nan 8.230 nan 0.000 0.446 253 F N -2.554 117.351 119.950 -0.075 0.000 2.952 253 F HA 0.507 5.032 4.527 -0.002 0.000 0.329 253 F C -0.864 174.868 175.800 -0.113 0.000 1.137 253 F CA -1.055 56.875 58.000 -0.116 0.000 0.889 253 F CB 0.596 39.413 39.000 -0.306 0.000 1.335 253 F HN -0.155 nan 8.300 nan 0.000 0.449 254 T N -1.655 112.834 114.554 -0.110 0.000 2.665 254 T HA 0.605 4.954 4.350 -0.002 0.000 0.303 254 T C -2.067 172.667 174.700 0.057 0.000 1.334 254 T CA -0.893 61.124 62.100 -0.138 0.000 1.011 254 T CB 2.023 70.813 68.868 -0.131 0.000 1.573 254 T HN 1.196 nan 8.240 nan 0.000 0.492 255 N N 0.043 118.756 118.700 0.021 0.000 2.558 255 N HA 0.367 5.106 4.740 -0.002 0.000 0.285 255 N C -1.199 174.325 175.510 0.023 0.000 1.112 255 N CA -0.719 52.359 53.050 0.046 0.000 0.857 255 N CB 2.111 40.635 38.487 0.060 0.000 1.376 255 N HN 0.545 nan 8.380 nan 0.000 0.526 256 S N 1.372 117.090 115.700 0.030 0.000 2.488 256 S HA -0.031 4.438 4.470 -0.002 0.000 0.278 256 S C 1.425 176.041 174.600 0.026 0.000 1.259 256 S CA -0.412 57.801 58.200 0.022 0.000 1.061 256 S CB 0.589 63.806 63.200 0.028 0.000 0.910 256 S HN 0.668 nan 8.310 nan 0.000 0.491 257 Q N 4.605 124.415 119.800 0.017 0.000 2.488 257 Q HA 0.044 4.383 4.340 -0.002 0.000 0.211 257 Q C 1.492 177.505 176.000 0.022 0.000 0.967 257 Q CA 0.799 56.614 55.803 0.019 0.000 0.926 257 Q CB -0.142 28.602 28.738 0.011 0.000 0.992 257 Q HN 0.758 nan 8.270 nan 0.000 0.506 258 L N 0.107 121.343 121.223 0.023 0.000 2.341 258 L HA 0.010 4.349 4.340 -0.002 0.000 0.214 258 L C 1.579 178.468 176.870 0.032 0.000 1.115 258 L CA 0.242 55.096 54.840 0.024 0.000 0.820 258 L CB 0.292 42.364 42.059 0.022 0.000 0.944 258 L HN 0.178 nan 8.230 nan 0.000 0.452 259 V N 0.081 120.017 119.914 0.037 0.000 2.446 259 V HA 0.300 4.419 4.120 -0.002 0.000 0.244 259 V C 0.972 177.098 176.094 0.053 0.000 1.039 259 V CA 0.887 63.215 62.300 0.047 0.000 1.045 259 V CB -0.466 31.390 31.823 0.055 0.000 0.681 259 V HN 0.578 nan 8.190 nan 0.000 0.459 260 G N -0.900 107.930 108.800 0.050 0.000 2.316 260 G HA2 0.473 4.432 3.960 -0.002 0.000 0.468 260 G HA3 0.473 4.432 3.960 -0.002 0.000 0.468 260 G C -0.963 173.969 174.900 0.052 0.000 1.523 260 G CA -0.390 44.742 45.100 0.052 0.000 0.972 260 G HN 0.645 nan 8.290 nan 0.000 0.667 261 A N -0.216 122.629 122.820 0.042 0.000 2.309 261 A HA 0.933 5.252 4.320 -0.002 0.000 0.298 261 A C 1.436 179.052 177.584 0.052 0.000 1.165 261 A CA 0.971 53.032 52.037 0.039 0.000 0.821 261 A CB 0.930 19.945 19.000 0.025 0.000 1.102 261 A HN 2.910 nan 8.150 nan 0.000 0.500 262 G N 0.568 109.403 108.800 0.059 0.000 2.176 262 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.232 262 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.232 262 G C -0.071 174.882 174.900 0.087 0.000 0.986 262 G CA 0.198 45.342 45.100 0.073 0.000 0.643 262 G HN 0.956 nan 8.290 nan 0.000 0.522 263 L N 2.299 123.572 121.223 0.084 0.000 2.581 263 L HA 0.320 4.659 4.340 -0.002 0.000 0.241 263 L C -1.817 175.102 176.870 0.081 0.000 1.265 263 L CA -1.754 53.142 54.840 0.094 0.000 0.954 263 L CB 0.983 43.110 42.059 0.114 0.000 1.269 263 L HN 0.015 nan 8.230 nan 0.000 0.475 264 P HA 0.076 nan 4.420 nan 0.000 0.270 264 P C -0.690 176.658 177.300 0.081 0.000 1.223 264 P CA -0.033 63.088 63.100 0.034 0.000 0.785 264 P CB 1.463 33.077 31.700 -0.143 0.000 0.923 265 L N 2.028 123.319 121.223 0.114 0.000 2.318 265 L HA 0.298 4.637 4.340 -0.002 0.000 0.277 265 L C -0.111 176.892 176.870 0.222 0.000 1.008 265 L CA -0.771 54.175 54.840 0.175 0.000 0.846 265 L CB 0.619 42.756 42.059 0.130 0.000 1.220 265 L HN 0.391 nan 8.230 nan 0.000 0.423 266 W N 4.773 126.143 121.300 0.116 0.000 2.469 266 W HA 0.253 4.912 4.660 -0.002 0.000 0.321 266 W C 0.213 176.793 176.519 0.101 0.000 1.415 266 W CA -0.011 57.410 57.345 0.126 0.000 1.308 266 W CB 0.059 29.550 29.460 0.051 0.000 1.368 266 W HN 0.323 nan 8.180 nan 0.000 0.546 267 L N 6.448 127.857 121.223 0.309 0.000 2.475 267 L HA 0.165 4.503 4.340 -0.002 0.000 0.253 267 L C -0.905 176.075 176.870 0.183 0.000 1.198 267 L CA -1.807 53.144 54.840 0.184 0.000 0.814 267 L CB 0.145 42.268 42.059 0.106 0.000 1.134 267 L HN 0.196 nan 8.230 nan 0.000 0.478 268 P HA -0.184 nan 4.420 nan 0.000 0.217 268 P C 0.806 178.151 177.300 0.074 0.000 1.158 268 P CA 1.360 64.507 63.100 0.079 0.000 0.887 268 P CB 0.096 31.827 31.700 0.050 0.000 0.792 269 N N -0.684 118.060 118.700 0.073 0.000 2.013 269 N HA -0.124 4.614 4.740 -0.002 0.000 0.195 269 N C 2.067 177.622 175.510 0.076 0.000 1.051 269 N CA 1.985 55.066 53.050 0.052 0.000 0.851 269 N CB -1.551 36.966 38.487 0.049 0.000 1.044 269 N HN 0.150 nan 8.380 nan 0.000 0.422 270 G N 0.503 109.416 108.800 0.190 0.000 2.440 270 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.218 270 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.218 270 G C 1.660 176.799 174.900 0.398 0.000 1.154 270 G CA 1.422 46.730 45.100 0.348 0.000 0.767 270 G HN 0.487 nan 8.290 nan 0.000 0.552 271 A N 0.281 123.286 122.820 0.309 0.000 1.873 271 A HA -0.107 4.212 4.320 -0.002 0.000 0.218 271 A C 2.508 180.057 177.584 -0.058 0.000 1.193 271 A CA 2.649 54.718 52.037 0.054 0.000 0.629 271 A CB -1.247 17.786 19.000 0.054 0.000 0.826 271 A HN 0.301 nan 8.150 nan 0.000 0.447 272 T N 0.332 114.871 114.554 -0.024 0.000 2.635 272 T HA -0.172 4.177 4.350 -0.002 0.000 0.267 272 T C 1.783 176.414 174.700 -0.114 0.000 1.040 272 T CA 1.696 63.757 62.100 -0.065 0.000 1.156 272 T CB -0.509 68.329 68.868 -0.050 0.000 0.863 272 T HN 0.424 nan 8.240 nan 0.000 0.430 273 I N 0.632 121.114 120.570 -0.146 0.000 2.194 273 I HA -0.266 3.903 4.170 -0.002 0.000 0.246 273 I C 2.765 178.777 176.117 -0.175 0.000 1.093 273 I CA 1.610 62.765 61.300 -0.242 0.000 1.355 273 I CB -0.457 37.326 38.000 -0.361 0.000 1.046 273 I HN 0.219 nan 8.210 nan 0.000 0.413 274 R N 1.275 121.685 120.500 -0.150 0.000 2.082 274 R HA -0.233 4.106 4.340 -0.002 0.000 0.234 274 R C 2.550 178.744 176.300 -0.177 0.000 1.136 274 R CA 1.855 57.821 56.100 -0.224 0.000 0.935 274 R CB -0.378 29.586 30.300 -0.561 0.000 0.842 274 R HN 0.161 nan 8.270 nan 0.000 0.430 275 R N 0.196 120.594 120.500 -0.170 0.000 2.134 275 R HA -0.213 4.125 4.340 -0.002 0.000 0.248 275 R C 2.068 178.336 176.300 -0.053 0.000 1.143 275 R CA 2.149 58.183 56.100 -0.110 0.000 0.957 275 R CB -0.196 30.052 30.300 -0.088 0.000 0.867 275 R HN 0.351 nan 8.270 nan 0.000 0.441 276 E N 0.460 120.627 120.200 -0.056 0.000 2.038 276 E HA -0.219 4.130 4.350 -0.002 0.000 0.195 276 E C 2.082 178.732 176.600 0.083 0.000 1.000 276 E CA 1.586 57.986 56.400 -0.000 0.000 0.803 276 E CB -0.308 29.329 29.700 -0.104 0.000 0.750 276 E HN 0.481 nan 8.360 nan 0.000 0.448 277 I N 1.051 121.632 120.570 0.019 0.000 2.286 277 I HA -0.242 3.927 4.170 -0.002 0.000 0.248 277 I C 2.247 178.444 176.117 0.133 0.000 1.115 277 I CA 1.086 62.466 61.300 0.133 0.000 1.392 277 I CB -0.278 37.746 38.000 0.041 0.000 1.065 277 I HN 0.113 nan 8.210 nan 0.000 0.418 278 E N 0.567 120.773 120.200 0.009 0.000 2.150 278 E HA -0.167 4.182 4.350 -0.002 0.000 0.193 278 E C 2.269 178.856 176.600 -0.022 0.000 0.985 278 E CA 0.791 57.167 56.400 -0.039 0.000 0.814 278 E CB 0.013 29.653 29.700 -0.100 0.000 0.752 278 E HN 0.466 nan 8.360 nan 0.000 0.466 279 R N -0.338 120.178 120.500 0.027 0.000 2.153 279 R HA -0.078 4.261 4.340 -0.002 0.000 0.218 279 R C 2.162 178.500 176.300 0.063 0.000 1.072 279 R CA 0.649 56.757 56.100 0.014 0.000 0.990 279 R CB -0.167 30.149 30.300 0.027 0.000 0.889 279 R HN 0.244 nan 8.270 nan 0.000 0.452 280 Y N 1.475 121.795 120.300 0.034 0.000 2.089 280 Y HA -0.231 4.318 4.550 -0.002 0.000 0.282 280 Y C 2.035 177.937 175.900 0.003 0.000 1.139 280 Y CA 1.299 59.440 58.100 0.070 0.000 1.123 280 Y CB -0.384 38.224 38.460 0.247 0.000 0.980 280 Y HN -0.147 nan 8.280 nan 0.000 0.493 281 I N -0.057 120.435 120.570 -0.131 0.000 2.076 281 I HA -0.265 3.904 4.170 -0.002 0.000 0.237 281 I C 2.405 178.353 176.117 -0.281 0.000 1.059 281 I CA 1.544 62.658 61.300 -0.309 0.000 1.317 281 I CB -1.080 36.848 38.000 -0.120 0.000 1.037 281 I HN 0.208 nan 8.210 nan 0.000 0.398 282 V N 0.857 120.637 119.914 -0.223 0.000 2.380 282 V HA -0.342 3.776 4.120 -0.002 0.000 0.251 282 V C 2.218 178.167 176.094 -0.243 0.000 1.063 282 V CA 2.183 64.290 62.300 -0.321 0.000 1.055 282 V CB -0.918 30.605 31.823 -0.501 0.000 0.657 282 V HN 0.418 nan 8.190 nan 0.000 0.455 283 D N -0.215 120.066 120.400 -0.200 0.000 2.078 283 D HA -0.177 4.462 4.640 -0.002 0.000 0.193 283 D C 2.142 178.336 176.300 -0.176 0.000 0.990 283 D CA 1.679 55.587 54.000 -0.154 0.000 0.827 283 D CB -0.257 40.475 40.800 -0.114 0.000 0.975 283 D HN 0.431 nan 8.370 nan 0.000 0.451 284 K N 0.707 120.939 120.400 -0.279 0.000 1.988 284 K HA -0.238 4.081 4.320 -0.002 0.000 0.221 284 K C 2.028 178.496 176.600 -0.219 0.000 1.053 284 K CA 1.829 57.941 56.287 -0.292 0.000 0.959 284 K CB -0.116 32.096 32.500 -0.480 0.000 0.728 284 K HN 0.022 nan 8.250 nan 0.000 0.447 285 E N -0.185 119.838 120.200 -0.295 0.000 2.065 285 E HA -0.240 4.109 4.350 -0.002 0.000 0.201 285 E C 1.998 178.561 176.600 -0.062 0.000 1.016 285 E CA 1.919 58.089 56.400 -0.383 0.000 0.818 285 E CB -0.130 29.255 29.700 -0.525 0.000 0.749 285 E HN 0.151 nan 8.360 nan 0.000 0.453 286 V N 0.758 120.665 119.914 -0.010 0.000 2.255 286 V HA -0.304 3.815 4.120 -0.002 0.000 0.247 286 V C 2.441 178.550 176.094 0.025 0.000 1.051 286 V CA 2.079 64.408 62.300 0.049 0.000 1.018 286 V CB -0.655 31.172 31.823 0.007 0.000 0.641 286 V HN 0.426 nan 8.190 nan 0.000 0.445 287 S N -0.958 114.729 115.700 -0.022 0.000 2.469 287 S HA -0.143 4.326 4.470 -0.002 0.000 0.238 287 S C 1.538 176.142 174.600 0.005 0.000 0.998 287 S CA 1.446 59.635 58.200 -0.019 0.000 0.957 287 S CB -0.489 62.684 63.200 -0.046 0.000 0.764 287 S HN 0.576 nan 8.310 nan 0.000 0.514 288 M N 0.999 120.623 119.600 0.041 0.000 2.551 288 M HA 0.291 4.770 4.480 -0.002 0.000 0.252 288 M C 1.092 177.472 176.300 0.133 0.000 1.219 288 M CA 0.373 55.726 55.300 0.088 0.000 0.978 288 M CB 0.274 32.950 32.600 0.126 0.000 1.533 288 M HN 0.518 nan 8.290 nan 0.000 0.474 289 G N 0.313 109.168 108.800 0.092 0.000 2.198 289 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.257 289 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.257 289 G C -0.574 174.347 174.900 0.035 0.000 1.042 289 G CA -0.189 44.932 45.100 0.035 0.000 0.791 289 G HN 0.452 nan 8.290 nan 0.000 0.502 290 Y N 0.262 120.518 120.300 -0.072 0.000 2.419 290 Y HA 0.527 5.076 4.550 -0.002 0.000 0.328 290 Y C 0.426 176.265 175.900 -0.101 0.000 1.162 290 Y CA -1.070 56.962 58.100 -0.113 0.000 1.174 290 Y CB 1.343 39.711 38.460 -0.153 0.000 1.228 290 Y HN 0.089 nan 8.280 nan 0.000 0.473 291 D N 1.678 122.084 120.400 0.010 0.000 2.427 291 D HA 0.121 4.760 4.640 -0.002 0.000 0.226 291 D C -0.470 175.778 176.300 -0.086 0.000 1.076 291 D CA -0.246 53.739 54.000 -0.024 0.000 0.849 291 D CB 0.488 41.249 40.800 -0.065 0.000 1.052 291 D HN 0.516 nan 8.370 nan 0.000 0.515 292 H N 0.885 119.924 119.070 -0.051 0.000 2.582 292 H HA 0.306 4.861 4.556 -0.002 0.000 0.345 292 H C 0.384 175.629 175.328 -0.137 0.000 1.104 292 H CA -0.136 55.839 56.048 -0.122 0.000 1.390 292 H CB 1.864 31.527 29.762 -0.165 0.000 1.461 292 H HN 0.206 nan 8.280 nan 0.000 0.551 293 V N 2.048 121.903 119.914 -0.099 0.000 3.156 293 V HA 0.571 4.690 4.120 -0.002 0.000 0.310 293 V C -1.758 174.231 176.094 -0.175 0.000 1.234 293 V CA -0.850 61.421 62.300 -0.048 0.000 1.065 293 V CB 2.410 34.217 31.823 -0.026 0.000 1.088 293 V HN 0.563 nan 8.190 nan 0.000 0.451 294 Y N 0.099 120.446 120.300 0.078 0.000 2.386 294 Y HA 0.782 5.331 4.550 -0.002 0.000 0.334 294 Y C 0.241 176.179 175.900 0.064 0.000 1.002 294 Y CA -0.077 58.064 58.100 0.068 0.000 1.068 294 Y CB 2.326 40.809 38.460 0.039 0.000 1.203 294 Y HN 1.021 nan 8.280 nan 0.000 0.443 295 T N 0.461 115.121 114.554 0.176 0.000 2.906 295 T HA 0.654 5.003 4.350 -0.002 0.000 0.295 295 T C -2.954 171.734 174.700 -0.021 0.000 1.061 295 T CA -2.635 59.525 62.100 0.100 0.000 1.000 295 T CB 1.938 70.863 68.868 0.095 0.000 1.103 295 T HN 0.139 nan 8.240 nan 0.000 0.486 296 P HA 0.078 nan 4.420 nan 0.000 0.269 296 P C 0.345 177.574 177.300 -0.119 0.000 1.205 296 P CA -0.359 62.753 63.100 0.020 0.000 0.780 296 P CB 0.421 32.223 31.700 0.171 0.000 0.858 297 V N 1.591 121.501 119.914 -0.006 0.000 3.271 297 V HA 0.222 4.341 4.120 -0.002 0.000 0.327 297 V C -0.262 175.882 176.094 0.084 0.000 1.389 297 V CA 0.165 62.461 62.300 -0.007 0.000 1.156 297 V CB -1.019 30.826 31.823 0.038 0.000 1.103 297 V HN 0.373 nan 8.190 nan 0.000 0.453 298 L N -1.780 119.547 121.223 0.173 0.000 2.622 298 L HA 1.061 5.399 4.340 -0.002 0.000 0.258 298 L C -0.913 176.148 176.870 0.319 0.000 0.996 298 L CA -0.668 54.311 54.840 0.231 0.000 0.858 298 L CB 1.320 43.456 42.059 0.128 0.000 1.449 298 L HN -0.086 nan 8.230 nan 0.000 0.411 299 A N 0.809 123.813 122.820 0.306 0.000 2.608 299 A HA 0.593 4.911 4.320 -0.002 0.000 0.292 299 A C -1.212 176.453 177.584 0.135 0.000 1.066 299 A CA -0.592 51.552 52.037 0.177 0.000 0.676 299 A CB 1.246 20.251 19.000 0.008 0.000 1.277 299 A HN 1.002 nan 8.150 nan 0.000 0.413 300 N N 1.045 119.763 118.700 0.031 0.000 2.357 300 N HA -0.020 4.719 4.740 -0.002 0.000 0.257 300 N C 1.321 176.815 175.510 -0.028 0.000 1.250 300 N CA 0.662 53.711 53.050 -0.002 0.000 0.862 300 N CB 1.057 39.521 38.487 -0.039 0.000 1.066 300 N HN 0.460 nan 8.380 nan 0.000 0.468 301 V N 3.470 123.361 119.914 -0.039 0.000 2.370 301 V HA -0.284 3.834 4.120 -0.002 0.000 0.252 301 V C 1.724 177.703 176.094 -0.192 0.000 1.068 301 V CA 1.993 64.221 62.300 -0.120 0.000 1.061 301 V CB -0.482 31.054 31.823 -0.479 0.000 0.656 301 V HN 0.705 nan 8.190 nan 0.000 0.455 302 D N -0.398 119.882 120.400 -0.199 0.000 2.228 302 D HA -0.204 4.435 4.640 -0.002 0.000 0.203 302 D C 1.990 178.184 176.300 -0.176 0.000 0.988 302 D CA 1.329 55.219 54.000 -0.183 0.000 0.864 302 D CB -0.128 40.587 40.800 -0.142 0.000 0.928 302 D HN 0.411 nan 8.370 nan 0.000 0.469 303 L N 0.062 121.138 121.223 -0.244 0.000 2.083 303 L HA -0.193 4.146 4.340 -0.002 0.000 0.209 303 L C 1.886 178.526 176.870 -0.384 0.000 1.083 303 L CA 1.564 56.198 54.840 -0.343 0.000 0.752 303 L CB -0.597 41.114 42.059 -0.580 0.000 0.899 303 L HN -0.024 nan 8.230 nan 0.000 0.433 304 Y N -0.595 119.798 120.300 0.154 0.000 2.365 304 Y HA -0.039 4.510 4.550 -0.002 0.000 0.293 304 Y C 2.357 178.451 175.900 0.323 0.000 1.119 304 Y CA 0.488 58.776 58.100 0.312 0.000 1.203 304 Y CB -0.483 38.210 38.460 0.389 0.000 1.026 304 Y HN 0.071 nan 8.280 nan 0.000 0.549 305 K N -0.081 120.440 120.400 0.202 0.000 1.991 305 K HA -0.127 4.192 4.320 -0.002 0.000 0.212 305 K C 1.979 178.641 176.600 0.103 0.000 1.049 305 K CA 1.959 58.330 56.287 0.140 0.000 0.932 305 K CB -1.271 31.194 32.500 -0.058 0.000 0.717 305 K HN 0.256 nan 8.250 nan 0.000 0.441 306 T N 1.686 116.211 114.554 -0.048 0.000 2.699 306 T HA -0.160 4.189 4.350 -0.002 0.000 0.268 306 T C 2.187 176.769 174.700 -0.197 0.000 1.036 306 T CA 2.096 64.051 62.100 -0.241 0.000 1.147 306 T CB -0.357 68.192 68.868 -0.531 0.000 0.862 306 T HN 0.459 nan 8.240 nan 0.000 0.446 307 S N 0.472 116.263 115.700 0.151 0.000 2.406 307 S HA 0.246 4.715 4.470 -0.002 0.000 0.228 307 S C 2.003 176.991 174.600 0.647 0.000 1.020 307 S CA 1.119 59.693 58.200 0.622 0.000 0.965 307 S CB -0.359 63.370 63.200 0.881 0.000 0.798 307 S HN 0.841 nan 8.310 nan 0.000 0.488 308 G N 0.015 109.146 108.800 0.551 0.000 2.192 308 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.193 308 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.193 308 G C 0.378 175.418 174.900 0.233 0.000 0.999 308 G CA 0.343 45.702 45.100 0.432 0.000 0.659 308 G HN 0.603 nan 8.290 nan 0.000 0.503 309 H N -1.443 117.930 119.070 0.505 0.000 2.495 309 H HA 0.113 4.668 4.556 -0.002 0.000 0.287 309 H C 1.964 177.512 175.328 0.365 0.000 1.033 309 H CA 1.403 57.720 56.048 0.449 0.000 1.307 309 H CB 0.034 30.155 29.762 0.599 0.000 1.401 309 H HN 0.561 nan 8.280 nan 0.000 0.555 310 W N 1.310 122.794 121.300 0.307 0.000 2.584 310 W HA -0.086 4.573 4.660 -0.002 0.000 0.264 310 W C 0.197 176.726 176.519 0.015 0.000 1.264 310 W CA 0.889 58.342 57.345 0.181 0.000 1.306 310 W CB 0.322 29.891 29.460 0.182 0.000 1.110 310 W HN 0.218 nan 8.180 nan 0.000 0.606 311 D N -1.785 118.629 120.400 0.023 0.000 2.354 311 D HA -0.018 4.621 4.640 -0.002 0.000 0.209 311 D C 0.878 176.661 176.300 -0.860 0.000 1.015 311 D CA 0.946 54.704 54.000 -0.404 0.000 0.867 311 D CB 0.113 40.626 40.800 -0.479 0.000 0.933 311 D HN 0.421 nan 8.370 nan 0.000 0.520 312 H N -2.418 116.512 119.070 -0.235 0.000 3.650 312 H HA 0.093 4.648 4.556 -0.002 0.000 0.260 312 H C 0.107 175.366 175.328 -0.116 0.000 1.194 312 H CA -0.069 55.816 56.048 -0.272 0.000 1.135 312 H CB 0.700 30.122 29.762 -0.567 0.000 1.612 312 H HN 0.066 nan 8.280 nan 0.000 0.703 313 Y N 0.924 121.211 120.300 -0.022 0.000 2.540 313 Y HA 0.033 4.582 4.550 -0.002 0.000 0.257 313 Y C 2.282 178.175 175.900 -0.012 0.000 1.090 313 Y CA 0.123 58.277 58.100 0.090 0.000 1.242 313 Y CB 1.044 39.680 38.460 0.293 0.000 1.325 313 Y HN -0.053 nan 8.280 nan 0.000 0.544 314 Q N 1.343 121.107 119.800 -0.062 0.000 2.318 314 Q HA -0.311 4.028 4.340 -0.002 0.000 0.216 314 Q C 1.386 177.275 176.000 -0.184 0.000 1.004 314 Q CA 2.708 58.340 55.803 -0.285 0.000 0.932 314 Q CB 0.008 28.444 28.738 -0.504 0.000 0.946 314 Q HN 0.613 nan 8.270 nan 0.000 0.419 315 E N -0.736 119.375 120.200 -0.149 0.000 2.046 315 E HA -0.133 4.216 4.350 -0.002 0.000 0.190 315 E C 1.149 177.704 176.600 -0.074 0.000 0.982 315 E CA 1.209 57.510 56.400 -0.164 0.000 0.800 315 E CB 0.014 29.607 29.700 -0.180 0.000 0.756 315 E HN 0.545 nan 8.360 nan 0.000 0.449 316 D N -0.009 120.419 120.400 0.048 0.000 2.349 316 D HA -0.000 4.638 4.640 -0.002 0.000 0.224 316 D C 0.257 176.830 176.300 0.455 0.000 1.029 316 D CA 0.585 54.742 54.000 0.262 0.000 0.879 316 D CB 0.004 40.983 40.800 0.299 0.000 0.906 316 D HN 0.139 nan 8.370 nan 0.000 0.528 317 M N 0.223 120.048 119.600 0.375 0.000 2.314 317 M HA 0.294 4.773 4.480 -0.002 0.000 0.342 317 M C -0.170 176.399 176.300 0.447 0.000 1.171 317 M CA -0.815 54.729 55.300 0.406 0.000 1.098 317 M CB 1.103 33.861 32.600 0.263 0.000 1.559 317 M HN -0.269 nan 8.290 nan 0.000 0.459 318 F N 2.604 122.696 119.950 0.237 0.000 2.435 318 F HA 0.279 4.805 4.527 -0.002 0.000 0.316 318 F C -1.486 174.438 175.800 0.207 0.000 1.220 318 F CA -1.685 56.465 58.000 0.249 0.000 1.241 318 F CB -0.406 38.672 39.000 0.129 0.000 1.234 318 F HN 0.341 nan 8.300 nan 0.000 0.569 319 P HA 0.136 nan 4.420 nan 0.000 0.271 319 P C -2.579 174.876 177.300 0.258 0.000 1.218 319 P CA -0.919 62.323 63.100 0.238 0.000 0.780 319 P CB 0.166 31.974 31.700 0.181 0.000 0.901 320 P HA 0.318 nan 4.420 nan 0.000 0.289 320 P C -0.297 177.105 177.300 0.171 0.000 1.299 320 P CA -0.097 63.149 63.100 0.244 0.000 0.766 320 P CB 0.639 32.515 31.700 0.294 0.000 1.226 321 M N -3.084 116.597 119.600 0.136 0.000 3.079 321 M HA 0.613 5.092 4.480 -0.002 0.000 0.277 321 M C -0.949 175.397 176.300 0.077 0.000 1.317 321 M CA -0.813 54.547 55.300 0.100 0.000 0.793 321 M CB 1.657 34.311 32.600 0.090 0.000 1.690 321 M HN 0.168 nan 8.290 nan 0.000 0.451 322 Q N 0.344 120.180 119.800 0.060 0.000 2.550 322 Q HA 0.122 4.461 4.340 -0.002 0.000 0.301 322 Q C -2.183 173.839 176.000 0.037 0.000 0.840 322 Q CA -0.466 55.364 55.803 0.045 0.000 0.947 322 Q CB -0.338 28.424 28.738 0.040 0.000 1.731 322 Q HN 0.968 nan 8.270 nan 0.000 0.516 323 L N 1.190 122.431 121.223 0.029 0.000 2.371 323 L HA 0.469 4.808 4.340 -0.002 0.000 0.262 323 L C -0.284 176.596 176.870 0.018 0.000 1.054 323 L CA -0.717 54.137 54.840 0.023 0.000 0.924 323 L CB -0.096 41.974 42.059 0.020 0.000 1.295 323 L HN 0.558 nan 8.230 nan 0.000 0.441 324 D N 0.698 121.109 120.400 0.019 0.000 3.595 324 D HA -0.331 4.308 4.640 -0.002 0.000 0.056 324 D C 0.590 176.895 176.300 0.008 0.000 0.866 324 D CA 1.329 55.338 54.000 0.015 0.000 0.368 324 D CB 0.248 41.057 40.800 0.015 0.000 0.907 324 D HN 0.965 nan 8.370 nan 0.000 0.408 325 E N 0.192 120.394 120.200 0.004 0.000 3.436 325 E HA -0.404 3.945 4.350 -0.002 0.000 0.284 325 E C 0.780 177.376 176.600 -0.007 0.000 0.830 325 E CA 2.177 58.575 56.400 -0.004 0.000 0.908 325 E CB -0.891 28.808 29.700 -0.003 0.000 1.458 325 E HN 0.737 nan 8.360 nan 0.000 0.467 326 T N -0.332 114.221 114.554 -0.002 0.000 2.668 326 T HA -0.030 4.319 4.350 -0.002 0.000 0.258 326 T C 0.422 175.118 174.700 -0.008 0.000 1.051 326 T CA 1.542 63.640 62.100 -0.002 0.000 1.155 326 T CB -0.039 68.832 68.868 0.005 0.000 0.864 326 T HN 0.298 nan 8.240 nan 0.000 0.413 327 E N -0.858 119.340 120.200 -0.004 0.000 2.396 327 E HA 0.424 4.772 4.350 -0.002 0.000 0.280 327 E C -1.677 174.925 176.600 0.003 0.000 1.065 327 E CA -0.461 55.934 56.400 -0.009 0.000 0.831 327 E CB 1.795 31.494 29.700 -0.002 0.000 1.272 327 E HN -0.107 nan 8.360 nan 0.000 0.443 328 S N 1.778 117.476 115.700 -0.004 0.000 2.653 328 S HA 0.329 4.798 4.470 -0.002 0.000 0.272 328 S C -0.519 174.113 174.600 0.054 0.000 1.221 328 S CA -0.689 57.526 58.200 0.024 0.000 1.149 328 S CB 0.231 63.432 63.200 0.002 0.000 1.029 328 S HN 0.275 nan 8.310 nan 0.000 0.481 329 M N 3.660 123.310 119.600 0.083 0.000 2.233 329 M HA 0.440 4.919 4.480 -0.002 0.000 0.350 329 M C -0.017 176.384 176.300 0.168 0.000 1.176 329 M CA -0.355 55.016 55.300 0.118 0.000 1.150 329 M CB 0.307 32.965 32.600 0.097 0.000 1.530 329 M HN 0.289 nan 8.290 nan 0.000 0.459 330 V N 1.607 121.653 119.914 0.220 0.000 3.040 330 V HA 0.568 4.687 4.120 -0.002 0.000 0.312 330 V C -0.272 175.934 176.094 0.187 0.000 1.115 330 V CA -1.103 61.343 62.300 0.242 0.000 0.998 330 V CB 2.256 34.276 31.823 0.328 0.000 1.042 330 V HN 0.696 nan 8.190 nan 0.000 0.433 331 L N 3.109 124.404 121.223 0.120 0.000 2.283 331 L HA 0.429 4.768 4.340 -0.002 0.000 0.287 331 L C 0.971 177.861 176.870 0.033 0.000 1.073 331 L CA -0.466 54.393 54.840 0.032 0.000 0.822 331 L CB 0.845 42.794 42.059 -0.182 0.000 1.186 331 L HN 0.857 nan 8.230 nan 0.000 0.436 332 R N 5.080 125.627 120.500 0.077 0.000 2.501 332 R HA 0.000 4.339 4.340 -0.002 0.000 0.319 332 R C -2.059 174.208 176.300 -0.055 0.000 0.913 332 R CA -0.739 55.356 56.100 -0.008 0.000 1.104 332 R CB 0.013 30.445 30.300 0.220 0.000 0.901 332 R HN 0.377 nan 8.270 nan 0.000 0.407 333 P HA 0.081 nan 4.420 nan 0.000 0.262 333 P C -0.432 176.802 177.300 -0.110 0.000 1.304 333 P CA 0.361 63.425 63.100 -0.060 0.000 0.859 333 P CB 0.622 32.303 31.700 -0.031 0.000 1.310 334 M N -0.484 119.041 119.600 -0.125 0.000 2.426 334 M HA 0.216 4.695 4.480 -0.002 0.000 0.289 334 M C 0.132 176.429 176.300 -0.006 0.000 1.168 334 M CA -0.574 54.699 55.300 -0.045 0.000 0.933 334 M CB 2.262 34.859 32.600 -0.004 0.000 1.750 334 M HN -0.362 nan 8.290 nan 0.000 0.494 335 N N 0.110 118.808 118.700 -0.003 0.000 2.416 335 N HA -0.010 4.729 4.740 -0.002 0.000 0.177 335 N C 1.274 176.654 175.510 -0.218 0.000 1.036 335 N CA 0.749 53.724 53.050 -0.124 0.000 0.901 335 N CB -0.242 38.087 38.487 -0.264 0.000 0.976 335 N HN 0.713 nan 8.380 nan 0.000 0.444 336 C N 2.533 121.702 119.300 -0.217 0.000 2.284 336 C HA -0.199 4.260 4.460 -0.002 0.000 0.269 336 C C 0.261 174.970 174.990 -0.467 0.000 1.133 336 C CA 1.266 59.836 59.018 -0.747 0.000 1.794 336 C CB -1.958 25.570 27.740 -0.354 0.000 1.976 336 C HN 0.362 nan 8.230 nan 0.000 0.424 337 P HA -0.234 nan 4.420 nan 0.000 0.214 337 P C 0.795 177.938 177.300 -0.262 0.000 1.164 337 P CA 2.497 65.439 63.100 -0.265 0.000 0.942 337 P CB -0.487 31.167 31.700 -0.078 0.000 0.791 338 H N -1.098 117.890 119.070 -0.137 0.000 2.289 338 H HA -0.173 4.382 4.556 -0.002 0.000 0.294 338 H C 2.371 177.706 175.328 0.012 0.000 1.095 338 H CA 2.092 58.113 56.048 -0.045 0.000 1.256 338 H CB -1.479 28.289 29.762 0.011 0.000 1.359 338 H HN 0.467 nan 8.280 nan 0.000 0.487 339 H N -1.328 117.743 119.070 0.002 0.000 2.426 339 H HA -0.182 4.373 4.556 -0.002 0.000 0.298 339 H C 2.035 177.341 175.328 -0.036 0.000 1.107 339 H CA 0.766 56.799 56.048 -0.026 0.000 1.298 339 H CB 0.044 29.775 29.762 -0.051 0.000 1.377 339 H HN 0.225 nan 8.280 nan 0.000 0.519 340 M N -0.021 119.531 119.600 -0.080 0.000 2.059 340 M HA -0.199 4.280 4.480 -0.002 0.000 0.259 340 M C 2.202 178.456 176.300 -0.077 0.000 1.072 340 M CA 1.495 56.691 55.300 -0.173 0.000 1.117 340 M CB -0.198 31.853 32.600 -0.914 0.000 1.320 340 M HN 0.210 nan 8.290 nan 0.000 0.408 341 M N -0.393 119.134 119.600 -0.122 0.000 2.108 341 M HA -0.249 4.230 4.480 -0.002 0.000 0.257 341 M C 2.189 178.491 176.300 0.003 0.000 1.071 341 M CA 1.645 56.935 55.300 -0.017 0.000 1.093 341 M CB -1.487 31.104 32.600 -0.015 0.000 1.345 341 M HN 0.262 nan 8.290 nan 0.000 0.403 342 I N -0.849 119.732 120.570 0.018 0.000 2.099 342 I HA -0.331 3.838 4.170 -0.002 0.000 0.239 342 I C 2.536 178.619 176.117 -0.056 0.000 1.066 342 I CA 1.707 63.003 61.300 -0.006 0.000 1.324 342 I CB -1.229 36.767 38.000 -0.007 0.000 1.037 342 I HN 0.259 nan 8.210 nan 0.000 0.401 343 Y N 2.007 122.162 120.300 -0.242 0.000 2.114 343 Y HA -0.317 4.232 4.550 -0.002 0.000 0.282 343 Y C 2.578 178.424 175.900 -0.090 0.000 1.165 343 Y CA 2.092 59.979 58.100 -0.355 0.000 1.148 343 Y CB -0.479 37.395 38.460 -0.978 0.000 0.972 343 Y HN 0.173 nan 8.280 nan 0.000 0.504 344 A N 0.471 123.256 122.820 -0.059 0.000 1.873 344 A HA -0.343 3.976 4.320 -0.002 0.000 0.218 344 A C 2.088 179.569 177.584 -0.172 0.000 1.193 344 A CA 2.053 54.046 52.037 -0.073 0.000 0.629 344 A CB -1.405 17.626 19.000 0.050 0.000 0.826 344 A HN 0.700 nan 8.150 nan 0.000 0.447 345 N N -0.467 118.158 118.700 -0.124 0.000 2.338 345 N HA -0.271 4.467 4.740 -0.002 0.000 0.193 345 N C 0.438 175.839 175.510 -0.182 0.000 0.880 345 N CA 2.346 55.322 53.050 -0.124 0.000 0.941 345 N CB -0.323 38.105 38.487 -0.098 0.000 1.060 345 N HN 0.845 nan 8.380 nan 0.000 0.781 346 K N -3.011 117.194 120.400 -0.324 0.000 2.579 346 K HA 0.486 4.804 4.320 -0.002 0.000 0.284 346 K C -3.105 173.096 176.600 -0.664 0.000 0.990 346 K CA -1.696 54.365 56.287 -0.377 0.000 0.880 346 K CB 1.563 33.879 32.500 -0.307 0.000 1.488 346 K HN -0.298 nan 8.250 nan 0.000 0.425 347 P HA 0.022 nan 4.420 nan 0.000 0.272 347 P C -1.133 175.717 177.300 -0.749 0.000 1.243 347 P CA 0.026 62.854 63.100 -0.454 0.000 0.803 347 P CB 0.200 31.777 31.700 -0.205 0.000 0.974 348 H N -1.574 117.430 119.070 -0.111 0.000 3.179 348 H HA 0.198 4.753 4.556 -0.002 0.000 0.331 348 H C -0.651 174.720 175.328 0.070 0.000 1.013 348 H CA -0.514 55.489 56.048 -0.075 0.000 1.430 348 H CB 1.231 30.905 29.762 -0.147 0.000 1.895 348 H HN 0.233 nan 8.280 nan 0.000 0.468 349 S N 2.014 117.820 115.700 0.176 0.000 2.564 349 S HA 0.008 4.477 4.470 -0.002 0.000 0.278 349 S C 1.466 176.144 174.600 0.129 0.000 1.333 349 S CA -0.378 57.929 58.200 0.179 0.000 1.048 349 S CB 0.209 63.438 63.200 0.048 0.000 0.900 349 S HN 0.555 nan 8.310 nan 0.000 0.505 350 Y N 3.560 124.021 120.300 0.268 0.000 2.465 350 Y HA 0.015 4.564 4.550 -0.002 0.000 0.289 350 Y C 1.960 177.860 175.900 -0.001 0.000 1.150 350 Y CA 1.276 59.487 58.100 0.186 0.000 1.293 350 Y CB -0.448 38.227 38.460 0.359 0.000 0.977 350 Y HN 0.675 nan 8.280 nan 0.000 0.556 351 R N 1.041 120.850 120.500 -1.152 0.000 2.275 351 R HA -0.027 4.312 4.340 -0.002 0.000 0.199 351 R C 1.472 177.544 176.300 -0.380 0.000 0.989 351 R CA 0.993 56.571 56.100 -0.870 0.000 1.016 351 R CB 0.044 29.899 30.300 -0.743 0.000 0.918 351 R HN 0.799 nan 8.270 nan 0.000 0.473 352 E N -0.523 119.521 120.200 -0.260 0.000 2.489 352 E HA -0.023 4.326 4.350 -0.002 0.000 0.204 352 E C 1.610 178.105 176.600 -0.176 0.000 1.006 352 E CA -0.237 56.060 56.400 -0.170 0.000 0.936 352 E CB 0.012 29.652 29.700 -0.099 0.000 1.002 352 E HN 0.114 nan 8.360 nan 0.000 0.488 353 L N 1.274 122.381 121.223 -0.194 0.000 2.151 353 L HA -0.077 4.262 4.340 -0.002 0.000 0.215 353 L C -1.228 175.536 176.870 -0.176 0.000 1.084 353 L CA 1.459 56.184 54.840 -0.192 0.000 0.764 353 L CB -1.248 40.621 42.059 -0.316 0.000 0.891 353 L HN 0.101 nan 8.230 nan 0.000 0.435 354 P HA 0.152 nan 4.420 nan 0.000 0.273 354 P C -0.569 176.628 177.300 -0.170 0.000 1.319 354 P CA 0.522 63.522 63.100 -0.167 0.000 0.885 354 P CB 0.279 31.881 31.700 -0.164 0.000 1.015 355 I N 5.234 125.725 120.570 -0.132 0.000 2.362 355 I HA 0.345 4.514 4.170 -0.002 0.000 0.289 355 I C 0.527 176.596 176.117 -0.080 0.000 0.994 355 I CA -0.714 60.503 61.300 -0.139 0.000 1.158 355 I CB 1.205 39.100 38.000 -0.176 0.000 1.315 355 I HN 0.104 nan 8.210 nan 0.000 0.451 356 R N 7.325 127.716 120.500 -0.181 0.000 2.388 356 R HA 0.504 4.843 4.340 -0.002 0.000 0.314 356 R C -1.320 174.894 176.300 -0.143 0.000 0.959 356 R CA -0.903 55.065 56.100 -0.220 0.000 0.851 356 R CB 1.519 31.422 30.300 -0.662 0.000 1.168 356 R HN 0.327 nan 8.270 nan 0.000 0.472 357 I N 2.754 123.271 120.570 -0.088 0.000 2.301 357 I HA 0.329 4.497 4.170 -0.002 0.000 0.292 357 I C 0.555 176.506 176.117 -0.275 0.000 1.046 357 I CA -0.849 60.299 61.300 -0.254 0.000 1.282 357 I CB 0.654 38.417 38.000 -0.396 0.000 1.409 357 I HN 0.692 nan 8.210 nan 0.000 0.484 358 A N 6.050 128.663 122.820 -0.344 0.000 2.330 358 A HA 0.868 5.187 4.320 -0.002 0.000 0.329 358 A C -0.337 176.998 177.584 -0.416 0.000 1.135 358 A CA -0.437 51.341 52.037 -0.432 0.000 0.817 358 A CB 1.869 20.354 19.000 -0.859 0.000 1.269 358 A HN 0.729 nan 8.150 nan 0.000 0.469 359 E N 0.649 120.786 120.200 -0.105 0.000 2.400 359 E HA 0.318 4.667 4.350 -0.002 0.000 0.285 359 E C -2.033 174.600 176.600 0.055 0.000 1.005 359 E CA -0.636 55.802 56.400 0.064 0.000 0.816 359 E CB 1.116 30.947 29.700 0.218 0.000 1.220 359 E HN 0.418 nan 8.360 nan 0.000 0.426 360 L N 3.581 124.818 121.223 0.024 0.000 2.536 360 L HA 0.384 4.723 4.340 -0.002 0.000 0.242 360 L C 0.454 177.305 176.870 -0.031 0.000 1.280 360 L CA 0.301 55.129 54.840 -0.021 0.000 1.221 360 L CB 0.359 42.384 42.059 -0.057 0.000 1.449 360 L HN 0.550 nan 8.230 nan 0.000 0.405 361 G N 0.313 109.095 108.800 -0.030 0.000 2.403 361 G HA2 0.317 4.276 3.960 -0.002 0.000 0.259 361 G HA3 0.317 4.276 3.960 -0.002 0.000 0.259 361 G C -0.084 174.778 174.900 -0.062 0.000 1.244 361 G CA -0.298 44.772 45.100 -0.050 0.000 0.849 361 G HN 0.318 nan 8.290 nan 0.000 0.532 362 T N 3.100 117.617 114.554 -0.061 0.000 2.794 362 T HA 0.456 4.805 4.350 -0.002 0.000 0.296 362 T C 0.367 175.007 174.700 -0.100 0.000 0.949 362 T CA 0.326 62.376 62.100 -0.085 0.000 1.101 362 T CB 0.483 69.324 68.868 -0.044 0.000 0.905 362 T HN 0.400 nan 8.240 nan 0.000 0.516 363 M N 2.853 122.353 119.600 -0.167 0.000 2.457 363 M HA 0.459 4.938 4.480 -0.002 0.000 0.300 363 M C -1.022 175.103 176.300 -0.291 0.000 1.141 363 M CA -0.853 54.372 55.300 -0.126 0.000 0.901 363 M CB 2.154 34.722 32.600 -0.053 0.000 1.687 363 M HN 0.550 nan 8.290 nan 0.000 0.449 364 H N 1.246 120.245 119.070 -0.118 0.000 2.489 364 H HA 0.657 5.212 4.556 -0.002 0.000 0.343 364 H C -1.052 174.308 175.328 0.055 0.000 1.086 364 H CA -0.676 55.248 56.048 -0.207 0.000 1.198 364 H CB 1.521 30.839 29.762 -0.740 0.000 1.490 364 H HN 0.452 nan 8.280 nan 0.000 0.504 365 R N 2.132 122.890 120.500 0.431 0.000 2.532 365 R HA 0.137 4.476 4.340 -0.002 0.000 0.297 365 R C -1.234 175.468 176.300 0.670 0.000 0.984 365 R CA -1.036 55.399 56.100 0.560 0.000 0.884 365 R CB 1.796 32.325 30.300 0.382 0.000 1.182 365 R HN 0.554 nan 8.270 nan 0.000 0.442 366 Y N 3.618 124.155 120.300 0.394 0.000 2.601 366 Y HA -0.004 4.545 4.550 -0.002 0.000 0.350 366 Y C -0.199 175.723 175.900 0.037 0.000 1.230 366 Y CA 0.142 58.210 58.100 -0.053 0.000 1.733 366 Y CB 0.033 38.364 38.460 -0.216 0.000 1.497 366 Y HN 0.356 nan 8.280 nan 0.000 0.472 367 E N 3.662 124.013 120.200 0.253 0.000 2.249 367 E HA 0.386 4.734 4.350 -0.002 0.000 0.280 367 E C -0.103 176.624 176.600 0.211 0.000 1.016 367 E CA -0.521 56.011 56.400 0.220 0.000 0.830 367 E CB 1.312 31.104 29.700 0.154 0.000 1.081 367 E HN 0.694 nan 8.360 nan 0.000 0.395 368 A N 2.335 125.273 122.820 0.197 0.000 2.587 368 A HA -0.046 4.273 4.320 -0.002 0.000 0.235 368 A C 1.495 179.148 177.584 0.114 0.000 1.044 368 A CA 0.660 52.801 52.037 0.174 0.000 0.754 368 A CB 0.012 19.099 19.000 0.144 0.000 0.968 368 A HN 0.729 nan 8.150 nan 0.000 0.509 369 S N 2.431 118.192 115.700 0.102 0.000 2.402 369 S HA -0.153 4.316 4.470 -0.002 0.000 0.233 369 S C 1.723 176.346 174.600 0.037 0.000 1.030 369 S CA 1.449 59.682 58.200 0.055 0.000 1.003 369 S CB -0.639 62.592 63.200 0.050 0.000 0.813 369 S HN 1.316 nan 8.310 nan 0.000 0.477 370 G N 0.565 109.385 108.800 0.033 0.000 2.572 370 G HA2 0.338 4.296 3.960 -0.002 0.000 0.216 370 G HA3 0.338 4.296 3.960 -0.002 0.000 0.216 370 G C 1.380 176.278 174.900 -0.002 0.000 1.133 370 G CA 0.410 45.513 45.100 0.003 0.000 0.791 370 G HN 0.719 nan 8.290 nan 0.000 0.538 371 A N 0.108 122.939 122.820 0.018 0.000 2.021 371 A HA 0.337 4.656 4.320 -0.002 0.000 0.216 371 A C 1.228 178.829 177.584 0.028 0.000 1.163 371 A CA 0.099 52.148 52.037 0.020 0.000 0.676 371 A CB -0.086 18.941 19.000 0.045 0.000 0.818 371 A HN 0.137 nan 8.150 nan 0.000 0.453 372 V N 1.878 121.814 119.914 0.036 0.000 2.442 372 V HA 0.081 4.200 4.120 -0.002 0.000 0.272 372 V C 0.449 176.561 176.094 0.030 0.000 0.989 372 V CA 0.735 63.058 62.300 0.038 0.000 1.123 372 V CB -0.165 31.680 31.823 0.037 0.000 1.008 372 V HN 0.337 nan 8.190 nan 0.000 0.469 373 S N 4.795 120.517 115.700 0.038 0.000 2.718 373 S HA 0.569 5.038 4.470 -0.002 0.000 0.294 373 S C 0.560 175.207 174.600 0.077 0.000 1.157 373 S CA -0.263 57.964 58.200 0.046 0.000 1.121 373 S CB 0.636 63.865 63.200 0.048 0.000 1.015 373 S HN 1.102 nan 8.310 nan 0.000 0.479 374 G N 3.640 112.481 108.800 0.068 0.000 2.382 374 G HA2 -0.012 3.946 3.960 -0.002 0.000 0.239 374 G HA3 -0.012 3.946 3.960 -0.002 0.000 0.239 374 G C 0.883 175.854 174.900 0.117 0.000 0.948 374 G CA 0.423 45.573 45.100 0.084 0.000 0.908 374 G HN 1.160 nan 8.290 nan 0.000 0.415 375 L N -1.066 120.094 121.223 -0.104 0.000 5.385 375 L HA -0.344 3.995 4.340 -0.002 0.000 0.450 375 L C 2.458 179.251 176.870 -0.129 0.000 0.995 375 L CA 2.290 56.978 54.840 -0.253 0.000 1.055 375 L CB -0.831 40.903 42.059 -0.541 0.000 1.558 375 L HN 0.723 nan 8.230 nan 0.000 0.723 376 Q N 0.439 120.229 119.800 -0.016 0.000 2.165 376 Q HA -0.018 4.321 4.340 -0.002 0.000 0.197 376 Q C 0.926 176.912 176.000 -0.023 0.000 0.952 376 Q CA 1.144 56.899 55.803 -0.080 0.000 0.848 376 Q CB 0.523 29.242 28.738 -0.031 0.000 0.931 376 Q HN 0.474 nan 8.270 nan 0.000 0.470 377 R N 0.486 120.995 120.500 0.015 0.000 2.539 377 R HA 0.364 4.703 4.340 -0.002 0.000 0.295 377 R C -1.259 175.066 176.300 0.043 0.000 1.138 377 R CA -0.368 55.751 56.100 0.031 0.000 0.936 377 R CB 1.089 31.410 30.300 0.034 0.000 1.182 377 R HN -0.018 nan 8.270 nan 0.000 0.459 378 V N 1.269 121.211 119.914 0.047 0.000 3.158 378 V HA 0.649 4.768 4.120 -0.002 0.000 0.315 378 V C 0.602 176.753 176.094 0.094 0.000 1.148 378 V CA -0.850 61.483 62.300 0.056 0.000 1.042 378 V CB 2.399 34.239 31.823 0.029 0.000 1.101 378 V HN 0.736 nan 8.190 nan 0.000 0.448 379 R N 1.404 121.979 120.500 0.125 0.000 2.064 379 R HA 0.322 4.661 4.340 -0.002 0.000 0.221 379 R C 1.238 177.609 176.300 0.119 0.000 1.136 379 R CA 0.844 57.079 56.100 0.224 0.000 0.980 379 R CB -0.232 30.278 30.300 0.349 0.000 0.876 379 R HN 0.913 nan 8.270 nan 0.000 0.437 380 G N 1.894 110.719 108.800 0.041 0.000 2.339 380 G HA2 0.471 4.429 3.960 -0.002 0.000 0.287 380 G HA3 0.471 4.429 3.960 -0.002 0.000 0.287 380 G C -0.240 174.552 174.900 -0.180 0.000 1.163 380 G CA -0.366 44.571 45.100 -0.272 0.000 0.872 380 G HN 0.121 nan 8.290 nan 0.000 0.464 381 M N 0.519 119.963 119.600 -0.261 0.000 2.569 381 M HA 0.664 5.143 4.480 -0.002 0.000 0.279 381 M C -1.423 174.821 176.300 -0.093 0.000 1.253 381 M CA -0.786 54.461 55.300 -0.088 0.000 0.867 381 M CB 2.250 34.833 32.600 -0.028 0.000 1.727 381 M HN 0.196 nan 8.290 nan 0.000 0.467 382 T N 2.724 117.262 114.554 -0.025 0.000 2.815 382 T HA 0.582 4.931 4.350 -0.002 0.000 0.289 382 T C -1.221 173.464 174.700 -0.024 0.000 1.000 382 T CA -0.500 61.574 62.100 -0.043 0.000 0.958 382 T CB 1.270 70.101 68.868 -0.061 0.000 0.944 382 T HN 0.580 nan 8.240 nan 0.000 0.442 383 L N 4.311 125.515 121.223 -0.031 0.000 2.292 383 L HA 0.517 4.856 4.340 -0.002 0.000 0.284 383 L C 0.482 177.328 176.870 -0.039 0.000 1.065 383 L CA -0.524 54.301 54.840 -0.024 0.000 0.806 383 L CB 0.917 42.966 42.059 -0.016 0.000 1.175 383 L HN 0.532 nan 8.230 nan 0.000 0.431 384 N N 3.064 121.733 118.700 -0.051 0.000 2.971 384 N HA 0.017 4.756 4.740 -0.002 0.000 0.294 384 N C -0.728 174.738 175.510 -0.072 0.000 1.210 384 N CA -0.021 52.986 53.050 -0.071 0.000 1.157 384 N CB -0.363 38.056 38.487 -0.113 0.000 1.450 384 N HN 0.599 nan 8.380 nan 0.000 0.527 385 D N 0.142 120.506 120.400 -0.060 0.000 2.340 385 D HA 0.543 5.181 4.640 -0.002 0.000 0.251 385 D C -1.020 175.227 176.300 -0.089 0.000 1.080 385 D CA -0.211 53.734 54.000 -0.092 0.000 0.971 385 D CB 1.300 42.053 40.800 -0.079 0.000 1.137 385 D HN 0.337 nan 8.370 nan 0.000 0.475 386 S N 0.667 116.253 115.700 -0.191 0.000 2.580 386 S HA 0.361 4.830 4.470 -0.002 0.000 0.281 386 S C -2.106 172.279 174.600 -0.359 0.000 1.129 386 S CA -0.665 57.474 58.200 -0.101 0.000 0.862 386 S CB 0.333 63.584 63.200 0.084 0.000 1.090 386 S HN 0.499 nan 8.310 nan 0.000 0.451 387 H N 2.188 121.257 119.070 -0.001 0.000 2.970 387 H HA 0.511 5.066 4.556 -0.002 0.000 0.315 387 H C -0.846 174.347 175.328 -0.225 0.000 0.992 387 H CA -0.434 55.487 56.048 -0.212 0.000 1.363 387 H CB 0.772 30.348 29.762 -0.310 0.000 1.532 387 H HN 0.407 nan 8.280 nan 0.000 0.514 388 I N 3.174 123.633 120.570 -0.186 0.000 2.441 388 I HA 0.074 4.243 4.170 -0.002 0.000 0.287 388 I C -0.339 175.585 176.117 -0.322 0.000 1.049 388 I CA -0.145 61.041 61.300 -0.190 0.000 1.381 388 I CB -0.177 37.692 38.000 -0.217 0.000 1.409 388 I HN 0.403 nan 8.210 nan 0.000 0.523 389 F N 6.434 126.215 119.950 -0.281 0.000 2.385 389 F HA 0.570 5.096 4.527 -0.002 0.000 0.360 389 F C 0.373 176.000 175.800 -0.289 0.000 1.122 389 F CA -0.635 57.156 58.000 -0.349 0.000 1.090 389 F CB 1.207 39.887 39.000 -0.533 0.000 1.150 389 F HN 0.274 nan 8.300 nan 0.000 0.472 390 V N 1.404 121.218 119.914 -0.166 0.000 3.126 390 V HA 0.694 4.813 4.120 -0.002 0.000 0.314 390 V C -0.420 175.560 176.094 -0.190 0.000 1.138 390 V CA -1.356 60.839 62.300 -0.175 0.000 1.034 390 V CB 2.116 33.843 31.823 -0.160 0.000 1.075 390 V HN 0.658 nan 8.190 nan 0.000 0.442 391 R N 1.390 121.751 120.500 -0.232 0.000 2.536 391 R HA 0.425 4.764 4.340 -0.002 0.000 0.279 391 R C -1.914 174.354 176.300 -0.052 0.000 1.001 391 R CA -1.613 54.355 56.100 -0.222 0.000 1.027 391 R CB 1.412 31.496 30.300 -0.360 0.000 1.096 391 R HN 0.530 nan 8.270 nan 0.000 0.502 392 P HA -0.302 nan 4.420 nan 0.000 0.220 392 P C 0.681 178.008 177.300 0.045 0.000 1.155 392 P CA 1.700 64.857 63.100 0.096 0.000 0.880 392 P CB 0.080 31.863 31.700 0.139 0.000 0.790 393 D N -0.500 119.911 120.400 0.019 0.000 2.269 393 D HA -0.166 4.473 4.640 -0.002 0.000 0.208 393 D C 1.299 177.591 176.300 -0.014 0.000 0.963 393 D CA 0.888 54.891 54.000 0.005 0.000 0.864 393 D CB -0.414 40.389 40.800 0.005 0.000 0.936 393 D HN 0.403 nan 8.370 nan 0.000 0.505 394 Q N 0.013 119.789 119.800 -0.040 0.000 2.179 394 Q HA 0.240 4.579 4.340 -0.002 0.000 0.213 394 Q C 1.973 177.948 176.000 -0.043 0.000 0.833 394 Q CA -0.294 55.481 55.803 -0.047 0.000 0.990 394 Q CB 0.263 28.954 28.738 -0.078 0.000 1.132 394 Q HN 0.216 nan 8.270 nan 0.000 0.493 395 I N 1.895 122.441 120.570 -0.040 0.000 2.032 395 I HA -0.333 3.836 4.170 -0.002 0.000 0.228 395 I C 2.157 178.285 176.117 0.018 0.000 1.030 395 I CA 1.561 62.835 61.300 -0.043 0.000 1.318 395 I CB -0.419 37.540 38.000 -0.069 0.000 1.049 395 I HN 0.191 nan 8.210 nan 0.000 0.387 396 K N 0.374 120.778 120.400 0.007 0.000 2.107 396 K HA -0.305 4.014 4.320 -0.002 0.000 0.211 396 K C 2.054 178.714 176.600 0.100 0.000 1.049 396 K CA 2.076 58.394 56.287 0.051 0.000 0.927 396 K CB -0.434 32.071 32.500 0.009 0.000 0.714 396 K HN 0.461 nan 8.250 nan 0.000 0.452 397 E N 1.162 121.389 120.200 0.045 0.000 2.031 397 E HA -0.245 4.104 4.350 -0.002 0.000 0.193 397 E C 2.066 178.678 176.600 0.021 0.000 0.994 397 E CA 1.436 57.852 56.400 0.027 0.000 0.800 397 E CB 0.047 29.747 29.700 0.001 0.000 0.752 397 E HN 0.163 nan 8.360 nan 0.000 0.447 398 E N 0.203 120.408 120.200 0.008 0.000 2.110 398 E HA -0.188 4.161 4.350 -0.002 0.000 0.193 398 E C 1.823 178.426 176.600 0.004 0.000 0.988 398 E CA 1.065 57.451 56.400 -0.023 0.000 0.804 398 E CB -0.644 29.024 29.700 -0.055 0.000 0.745 398 E HN 0.340 nan 8.360 nan 0.000 0.458 399 F N 1.040 120.938 119.950 -0.087 0.000 2.134 399 F HA -0.062 4.464 4.527 -0.002 0.000 0.299 399 F C 1.857 177.610 175.800 -0.079 0.000 1.097 399 F CA 1.585 59.533 58.000 -0.087 0.000 1.264 399 F CB 0.038 38.986 39.000 -0.086 0.000 1.001 399 F HN -0.038 nan 8.300 nan 0.000 0.479 400 K N -0.528 119.901 120.400 0.049 0.000 2.288 400 K HA -0.121 4.198 4.320 -0.002 0.000 0.201 400 K C 2.132 178.678 176.600 -0.091 0.000 1.048 400 K CA 0.770 57.040 56.287 -0.028 0.000 0.956 400 K CB -0.084 32.442 32.500 0.043 0.000 0.746 400 K HN 0.108 nan 8.250 nan 0.000 0.461 401 R N 0.648 121.099 120.500 -0.081 0.000 2.062 401 R HA -0.107 4.231 4.340 -0.002 0.000 0.231 401 R C 2.017 178.252 176.300 -0.109 0.000 1.136 401 R CA 1.316 57.373 56.100 -0.071 0.000 0.948 401 R CB -0.380 29.885 30.300 -0.058 0.000 0.845 401 R HN -0.043 nan 8.270 nan 0.000 0.430 402 V N -0.017 119.792 119.914 -0.174 0.000 2.282 402 V HA -0.280 3.838 4.120 -0.002 0.000 0.249 402 V C 2.296 178.242 176.094 -0.247 0.000 1.057 402 V CA 2.024 64.200 62.300 -0.207 0.000 1.032 402 V CB -0.748 30.878 31.823 -0.329 0.000 0.645 402 V HN 0.167 nan 8.190 nan 0.000 0.447 403 V N 0.731 120.434 119.914 -0.351 0.000 2.295 403 V HA -0.253 3.866 4.120 -0.002 0.000 0.246 403 V C 2.404 178.409 176.094 -0.148 0.000 1.049 403 V CA 2.288 64.404 62.300 -0.307 0.000 1.024 403 V CB -1.037 30.569 31.823 -0.361 0.000 0.648 403 V HN 0.539 nan 8.190 nan 0.000 0.447 404 N N 0.235 118.877 118.700 -0.096 0.000 2.104 404 N HA -0.218 4.520 4.740 -0.002 0.000 0.190 404 N C 1.839 177.341 175.510 -0.012 0.000 1.024 404 N CA 2.163 55.200 53.050 -0.022 0.000 0.853 404 N CB -0.565 37.917 38.487 -0.008 0.000 1.008 404 N HN 0.659 nan 8.380 nan 0.000 0.424 405 M N 0.565 120.144 119.600 -0.036 0.000 2.073 405 M HA -0.144 4.335 4.480 -0.002 0.000 0.258 405 M C 1.800 178.093 176.300 -0.012 0.000 1.070 405 M CA 1.636 56.925 55.300 -0.018 0.000 1.103 405 M CB -0.272 32.310 32.600 -0.031 0.000 1.321 405 M HN 0.012 nan 8.290 nan 0.000 0.405 406 I N 0.336 120.863 120.570 -0.072 0.000 2.208 406 I HA -0.289 3.880 4.170 -0.002 0.000 0.245 406 I C 2.380 178.377 176.117 -0.200 0.000 1.097 406 I CA 1.404 62.623 61.300 -0.135 0.000 1.363 406 I CB -0.534 37.331 38.000 -0.224 0.000 1.051 406 I HN 0.392 nan 8.210 nan 0.000 0.413 407 I N 0.810 121.328 120.570 -0.087 0.000 2.179 407 I HA -0.315 3.853 4.170 -0.002 0.000 0.242 407 I C 2.099 178.278 176.117 0.103 0.000 1.088 407 I CA 1.632 62.945 61.300 0.022 0.000 1.357 407 I CB -0.384 37.704 38.000 0.147 0.000 1.051 407 I HN 0.193 nan 8.210 nan 0.000 0.409 408 D N -0.040 120.419 120.400 0.098 0.000 2.144 408 D HA -0.122 4.516 4.640 -0.002 0.000 0.200 408 D C 2.428 178.853 176.300 0.208 0.000 0.978 408 D CA 1.116 55.196 54.000 0.133 0.000 0.833 408 D CB -0.334 40.519 40.800 0.089 0.000 0.961 408 D HN 0.152 nan 8.370 nan 0.000 0.470 409 V N 0.838 120.902 119.914 0.250 0.000 2.295 409 V HA -0.267 3.851 4.120 -0.002 0.000 0.246 409 V C 2.159 178.559 176.094 0.510 0.000 1.049 409 V CA 1.328 63.884 62.300 0.426 0.000 1.024 409 V CB -0.679 31.403 31.823 0.432 0.000 0.648 409 V HN 0.130 nan 8.190 nan 0.000 0.447 410 Y N 0.655 121.037 120.300 0.137 0.000 2.241 410 Y HA -0.246 4.303 4.550 -0.002 0.000 0.286 410 Y C 2.490 178.454 175.900 0.107 0.000 1.166 410 Y CA 1.551 59.688 58.100 0.061 0.000 1.203 410 Y CB -0.680 37.753 38.460 -0.044 0.000 0.977 410 Y HN 0.237 nan 8.280 nan 0.000 0.529 411 K N 0.089 120.687 120.400 0.329 0.000 2.057 411 K HA -0.185 4.134 4.320 -0.002 0.000 0.207 411 K C 1.664 178.412 176.600 0.247 0.000 1.049 411 K CA 1.699 58.148 56.287 0.271 0.000 0.931 411 K CB -0.109 32.519 32.500 0.212 0.000 0.714 411 K HN 0.165 nan 8.250 nan 0.000 0.440 412 D N -0.025 120.495 120.400 0.200 0.000 2.123 412 D HA -0.165 4.474 4.640 -0.002 0.000 0.196 412 D C 1.325 177.612 176.300 -0.022 0.000 0.992 412 D CA 1.250 55.284 54.000 0.056 0.000 0.833 412 D CB -0.123 40.692 40.800 0.025 0.000 0.954 412 D HN 0.209 nan 8.370 nan 0.000 0.455 413 F N -0.299 119.586 119.950 -0.108 0.000 2.773 413 F HA 0.253 4.779 4.527 -0.002 0.000 0.304 413 F C 1.763 177.171 175.800 -0.652 0.000 1.129 413 F CA 0.299 58.075 58.000 -0.372 0.000 1.378 413 F CB 0.131 38.591 39.000 -0.900 0.000 1.095 413 F HN -0.029 nan 8.300 nan 0.000 0.565 414 G N 0.204 108.801 108.800 -0.339 0.000 2.198 414 G HA2 -0.315 3.643 3.960 -0.002 0.000 0.260 414 G HA3 -0.315 3.643 3.960 -0.002 0.000 0.260 414 G C -0.017 174.947 174.900 0.107 0.000 1.025 414 G CA -0.430 44.438 45.100 -0.386 0.000 0.769 414 G HN 0.111 nan 8.290 nan 0.000 0.507 415 F N 0.971 120.979 119.950 0.096 0.000 2.462 415 F HA 0.359 4.885 4.527 -0.002 0.000 0.360 415 F C 1.392 177.386 175.800 0.324 0.000 1.134 415 F CA -1.232 56.853 58.000 0.141 0.000 1.148 415 F CB 0.820 39.816 39.000 -0.008 0.000 1.147 415 F HN 0.136 nan 8.300 nan 0.000 0.550 416 E N 1.071 121.534 120.200 0.438 0.000 2.251 416 E HA 0.004 4.352 4.350 -0.002 0.000 0.194 416 E C -0.283 176.479 176.600 0.270 0.000 0.964 416 E CA 0.559 57.162 56.400 0.338 0.000 0.868 416 E CB 0.344 30.164 29.700 0.200 0.000 0.828 416 E HN 0.517 nan 8.360 nan 0.000 0.481 417 D N 1.081 121.644 120.400 0.271 0.000 2.373 417 D HA 0.313 4.952 4.640 -0.002 0.000 0.227 417 D C -0.178 176.292 176.300 0.282 0.000 1.091 417 D CA -0.215 53.880 54.000 0.158 0.000 0.840 417 D CB 0.680 41.537 40.800 0.096 0.000 1.060 417 D HN 0.021 nan 8.370 nan 0.000 0.502 418 Y N -1.195 119.118 120.300 0.020 0.000 2.741 418 Y HA 0.549 5.098 4.550 -0.002 0.000 0.339 418 Y C -1.308 174.507 175.900 -0.143 0.000 1.226 418 Y CA -1.175 56.908 58.100 -0.028 0.000 1.072 418 Y CB 0.789 39.307 38.460 0.097 0.000 1.331 418 Y HN 0.220 nan 8.280 nan 0.000 0.453 419 S N 0.364 116.057 115.700 -0.012 0.000 2.579 419 S HA 0.806 5.275 4.470 -0.002 0.000 0.272 419 S C -1.671 172.891 174.600 -0.063 0.000 1.141 419 S CA -0.785 57.306 58.200 -0.181 0.000 0.843 419 S CB 1.962 65.124 63.200 -0.062 0.000 1.122 419 S HN 0.536 nan 8.310 nan 0.000 0.468 420 F N 0.963 120.993 119.950 0.133 0.000 2.461 420 F HA 0.822 5.348 4.527 -0.002 0.000 0.332 420 F C 0.756 176.628 175.800 0.120 0.000 1.073 420 F CA -1.067 57.012 58.000 0.132 0.000 1.017 420 F CB 1.109 40.203 39.000 0.157 0.000 1.301 420 F HN 0.865 nan 8.300 nan 0.000 0.492 421 R N 1.512 122.189 120.500 0.295 0.000 3.008 421 R HA 0.345 4.684 4.340 -0.002 0.000 0.284 421 R C -2.566 173.710 176.300 -0.041 0.000 1.187 421 R CA -0.474 55.709 56.100 0.137 0.000 1.139 421 R CB 0.431 30.785 30.300 0.090 0.000 1.273 421 R HN 0.695 nan 8.270 nan 0.000 0.410 422 L N 4.268 125.378 121.223 -0.187 0.000 2.325 422 L HA 0.334 4.673 4.340 -0.002 0.000 0.284 422 L C 0.106 176.597 176.870 -0.632 0.000 1.089 422 L CA -0.586 53.984 54.840 -0.451 0.000 0.836 422 L CB 1.236 42.913 42.059 -0.636 0.000 1.184 422 L HN 0.650 nan 8.230 nan 0.000 0.444 423 S N 2.404 117.862 115.700 -0.404 0.000 2.499 423 S HA 0.615 5.084 4.470 -0.002 0.000 0.279 423 S C -0.726 173.748 174.600 -0.209 0.000 1.219 423 S CA -0.758 57.274 58.200 -0.280 0.000 1.062 423 S CB 0.761 63.905 63.200 -0.093 0.000 0.978 423 S HN 0.275 nan 8.310 nan 0.000 0.489 424 Y N 0.718 121.030 120.300 0.020 0.000 2.487 424 Y HA 0.525 5.074 4.550 -0.002 0.000 0.337 424 Y C 0.828 176.638 175.900 -0.150 0.000 1.076 424 Y CA -1.733 56.366 58.100 -0.001 0.000 1.115 424 Y CB 0.753 39.207 38.460 -0.010 0.000 1.235 424 Y HN 0.740 nan 8.280 nan 0.000 0.468 425 R N 2.770 123.165 120.500 -0.174 0.000 3.790 425 R HA -0.229 4.110 4.340 -0.002 0.000 0.108 425 R C -1.311 174.551 176.300 -0.730 0.000 0.589 425 R CA 1.096 56.547 56.100 -1.082 0.000 0.746 425 R CB -0.372 29.310 30.300 -1.029 0.000 1.151 425 R HN 0.867 nan 8.270 nan 0.000 0.227 426 D N 4.369 124.312 120.400 -0.761 0.000 2.781 426 D HA 0.300 4.939 4.640 -0.002 0.000 0.295 426 D C -2.493 173.722 176.300 -0.142 0.000 1.143 426 D CA -1.093 52.737 54.000 -0.283 0.000 1.076 426 D CB 1.317 42.063 40.800 -0.090 0.000 1.444 426 D HN 0.394 nan 8.370 nan 0.000 0.567 427 P HA -0.055 nan 4.420 nan 0.000 0.238 427 P C -0.107 177.234 177.300 0.068 0.000 1.434 427 P CA 0.609 63.762 63.100 0.089 0.000 1.292 427 P CB -0.002 31.792 31.700 0.156 0.000 1.804 428 E N 2.679 122.972 120.200 0.155 0.000 2.280 428 E HA 0.299 4.648 4.350 -0.002 0.000 0.264 428 E C -1.167 175.544 176.600 0.186 0.000 1.064 428 E CA -0.242 56.300 56.400 0.236 0.000 0.900 428 E CB 1.441 31.616 29.700 0.793 0.000 1.123 428 E HN 0.189 nan 8.360 nan 0.000 0.418 429 D N 0.990 121.500 120.400 0.183 0.000 2.531 429 D HA 0.395 5.034 4.640 -0.002 0.000 0.244 429 D C -1.034 175.422 176.300 0.260 0.000 1.090 429 D CA -0.490 53.690 54.000 0.300 0.000 0.989 429 D CB 2.219 43.330 40.800 0.519 0.000 1.433 429 D HN 0.374 nan 8.370 nan 0.000 0.492 430 K N 0.046 120.588 120.400 0.237 0.000 2.439 430 K HA 0.182 4.501 4.320 -0.002 0.000 0.260 430 K C 0.664 177.383 176.600 0.199 0.000 1.032 430 K CA -0.519 55.898 56.287 0.216 0.000 0.882 430 K CB 1.866 34.506 32.500 0.234 0.000 1.420 430 K HN 0.375 nan 8.250 nan 0.000 0.455 431 E N 0.662 120.970 120.200 0.180 0.000 2.158 431 E HA -0.060 4.289 4.350 -0.002 0.000 0.191 431 E C 0.110 176.800 176.600 0.150 0.000 0.982 431 E CA 0.917 57.406 56.400 0.149 0.000 0.823 431 E CB 0.385 30.159 29.700 0.122 0.000 0.766 431 E HN 0.125 nan 8.360 nan 0.000 0.468 432 K N 0.757 121.274 120.400 0.196 0.000 2.847 432 K HA 0.006 4.325 4.320 -0.002 0.000 0.213 432 K C -1.134 175.474 176.600 0.013 0.000 1.174 432 K CA -0.870 55.517 56.287 0.166 0.000 1.095 432 K CB -0.390 32.282 32.500 0.287 0.000 1.581 432 K HN 0.179 nan 8.250 nan 0.000 0.514 433 Y N -0.128 120.085 120.300 -0.145 0.000 3.086 433 Y HA -0.341 4.208 4.550 -0.002 0.000 0.214 433 Y C -1.228 174.412 175.900 -0.434 0.000 1.174 433 Y CA 0.823 58.771 58.100 -0.253 0.000 1.167 433 Y CB -1.378 36.907 38.460 -0.293 0.000 1.285 433 Y HN 0.230 nan 8.280 nan 0.000 0.562 434 F N -0.579 119.399 119.950 0.047 0.000 2.640 434 F HA 0.464 4.990 4.527 -0.002 0.000 0.324 434 F C 0.084 175.900 175.800 0.027 0.000 1.077 434 F CA -1.549 56.455 58.000 0.006 0.000 0.965 434 F CB 1.155 40.183 39.000 0.047 0.000 1.351 434 F HN -0.161 nan 8.300 nan 0.000 0.487 435 D N 0.729 121.282 120.400 0.255 0.000 2.683 435 D HA 0.050 4.689 4.640 -0.002 0.000 0.309 435 D C -0.677 175.772 176.300 0.248 0.000 1.238 435 D CA -0.142 53.985 54.000 0.212 0.000 0.936 435 D CB 0.200 41.083 40.800 0.139 0.000 1.001 435 D HN 0.431 nan 8.370 nan 0.000 0.505 436 D N 1.610 122.147 120.400 0.229 0.000 6.755 436 D HA -0.187 4.452 4.640 -0.002 0.000 0.179 436 D C 0.632 177.051 176.300 0.199 0.000 1.247 436 D CA 0.560 54.656 54.000 0.159 0.000 0.816 436 D CB 0.027 40.887 40.800 0.101 0.000 1.460 436 D HN 0.231 nan 8.370 nan 0.000 0.805 437 D N 0.560 121.050 120.400 0.149 0.000 2.149 437 D HA -0.163 4.476 4.640 -0.002 0.000 0.198 437 D C 1.550 177.906 176.300 0.092 0.000 0.990 437 D CA 1.248 55.330 54.000 0.137 0.000 0.839 437 D CB 0.044 40.874 40.800 0.050 0.000 0.948 437 D HN 0.517 nan 8.370 nan 0.000 0.460 438 D N -0.397 120.012 120.400 0.015 0.000 2.108 438 D HA -0.213 4.425 4.640 -0.002 0.000 0.190 438 D C 2.037 178.291 176.300 -0.076 0.000 0.995 438 D CA 1.227 55.201 54.000 -0.042 0.000 0.834 438 D CB -0.174 40.581 40.800 -0.074 0.000 0.967 438 D HN 0.102 nan 8.370 nan 0.000 0.446 439 M N -0.709 118.822 119.600 -0.116 0.000 2.706 439 M HA -0.289 4.190 4.480 -0.002 0.000 0.266 439 M C 2.005 178.151 176.300 -0.257 0.000 1.060 439 M CA 2.405 57.538 55.300 -0.278 0.000 1.070 439 M CB -0.768 31.668 32.600 -0.274 0.000 1.241 439 M HN 0.325 nan 8.290 nan 0.000 0.488 440 W N 0.834 122.087 121.300 -0.079 0.000 2.274 440 W HA -0.296 4.363 4.660 -0.002 0.000 0.314 440 W C 2.186 178.653 176.519 -0.087 0.000 1.254 440 W CA 2.228 59.541 57.345 -0.053 0.000 1.265 440 W CB -0.896 28.544 29.460 -0.034 0.000 1.141 440 W HN 0.511 nan 8.180 nan 0.000 0.505 441 N N -0.194 118.566 118.700 0.100 0.000 2.135 441 N HA -0.177 4.562 4.740 -0.002 0.000 0.186 441 N C 1.756 177.229 175.510 -0.063 0.000 1.027 441 N CA 1.232 54.287 53.050 0.007 0.000 0.849 441 N CB -0.465 38.011 38.487 -0.019 0.000 1.002 441 N HN 0.130 nan 8.380 nan 0.000 0.425 442 K N 1.441 121.751 120.400 -0.151 0.000 2.044 442 K HA -0.170 4.149 4.320 -0.002 0.000 0.210 442 K C 2.017 178.504 176.600 -0.188 0.000 1.049 442 K CA 1.562 57.712 56.287 -0.228 0.000 0.927 442 K CB -0.094 32.142 32.500 -0.439 0.000 0.713 442 K HN 0.117 nan 8.250 nan 0.000 0.443 443 A N 0.935 123.638 122.820 -0.196 0.000 1.929 443 A HA -0.136 4.183 4.320 -0.002 0.000 0.216 443 A C 1.818 179.429 177.584 0.044 0.000 1.176 443 A CA 1.521 53.563 52.037 0.008 0.000 0.628 443 A CB -0.333 18.680 19.000 0.023 0.000 0.816 443 A HN 0.487 nan 8.150 nan 0.000 0.444 444 E N 0.074 120.317 120.200 0.072 0.000 2.076 444 E HA -0.114 4.235 4.350 -0.002 0.000 0.190 444 E C 1.378 178.007 176.600 0.049 0.000 0.979 444 E CA 0.862 57.338 56.400 0.127 0.000 0.807 444 E CB -0.277 29.474 29.700 0.086 0.000 0.761 444 E HN 0.516 nan 8.360 nan 0.000 0.454 445 N N 0.840 119.535 118.700 -0.008 0.000 2.443 445 N HA -0.150 4.588 4.740 -0.002 0.000 0.184 445 N C 1.643 177.143 175.510 -0.017 0.000 1.037 445 N CA 0.955 53.995 53.050 -0.017 0.000 0.896 445 N CB -0.104 38.364 38.487 -0.032 0.000 0.959 445 N HN 0.225 nan 8.380 nan 0.000 0.442 446 M N -0.010 119.574 119.600 -0.027 0.000 2.299 446 M HA 0.085 4.564 4.480 -0.002 0.000 0.264 446 M C 1.980 178.205 176.300 -0.125 0.000 1.095 446 M CA 0.645 55.913 55.300 -0.054 0.000 1.165 446 M CB 0.128 32.713 32.600 -0.025 0.000 1.349 446 M HN 0.077 nan 8.290 nan 0.000 0.446 447 L N 0.641 121.779 121.223 -0.143 0.000 2.012 447 L HA -0.248 4.091 4.340 -0.002 0.000 0.210 447 L C 2.361 179.133 176.870 -0.164 0.000 1.073 447 L CA 1.980 56.663 54.840 -0.263 0.000 0.748 447 L CB -0.480 41.475 42.059 -0.174 0.000 0.891 447 L HN 0.355 nan 8.230 nan 0.000 0.431 448 K N -0.319 120.047 120.400 -0.057 0.000 2.147 448 K HA -0.224 4.095 4.320 -0.002 0.000 0.205 448 K C 1.833 178.411 176.600 -0.037 0.000 1.049 448 K CA 1.776 58.030 56.287 -0.055 0.000 0.936 448 K CB -0.071 32.470 32.500 0.067 0.000 0.722 448 K HN 0.514 nan 8.250 nan 0.000 0.446 449 E N 0.061 120.244 120.200 -0.028 0.000 2.028 449 E HA -0.166 4.182 4.350 -0.002 0.000 0.191 449 E C 2.064 178.662 176.600 -0.004 0.000 0.988 449 E CA 0.997 57.395 56.400 -0.005 0.000 0.799 449 E CB -0.173 29.521 29.700 -0.010 0.000 0.755 449 E HN 0.441 nan 8.360 nan 0.000 0.447 450 A N 1.800 124.600 122.820 -0.033 0.000 1.892 450 A HA -0.269 4.050 4.320 -0.002 0.000 0.218 450 A C 2.437 180.043 177.584 0.037 0.000 1.188 450 A CA 2.186 54.230 52.037 0.012 0.000 0.631 450 A CB -1.010 17.989 19.000 -0.001 0.000 0.822 450 A HN 0.324 nan 8.150 nan 0.000 0.447 451 A N 0.108 122.924 122.820 -0.006 0.000 1.869 451 A HA -0.306 4.013 4.320 -0.002 0.000 0.218 451 A C 1.803 179.423 177.584 0.060 0.000 1.203 451 A CA 2.149 54.167 52.037 -0.031 0.000 0.638 451 A CB -0.860 18.010 19.000 -0.216 0.000 0.831 451 A HN 0.570 nan 8.150 nan 0.000 0.450 452 D N -0.588 119.864 120.400 0.085 0.000 2.178 452 D HA -0.104 4.535 4.640 -0.002 0.000 0.202 452 D C 1.847 178.199 176.300 0.087 0.000 0.974 452 D CA 1.290 55.366 54.000 0.127 0.000 0.841 452 D CB -0.406 40.472 40.800 0.130 0.000 0.953 452 D HN 0.692 nan 8.370 nan 0.000 0.478 453 E N 0.158 120.395 120.200 0.063 0.000 2.204 453 E HA -0.131 4.218 4.350 -0.002 0.000 0.195 453 E C 1.919 178.553 176.600 0.056 0.000 0.990 453 E CA 0.305 56.737 56.400 0.052 0.000 0.821 453 E CB 0.116 29.841 29.700 0.042 0.000 0.750 453 E HN 0.127 nan 8.360 nan 0.000 0.477 454 L N -0.594 120.666 121.223 0.062 0.000 2.127 454 L HA 0.103 4.442 4.340 -0.002 0.000 0.203 454 L C 1.297 178.216 176.870 0.082 0.000 1.080 454 L CA 1.688 56.564 54.840 0.060 0.000 0.768 454 L CB 0.061 42.144 42.059 0.040 0.000 0.924 454 L HN 0.257 nan 8.230 nan 0.000 0.444 455 G N -0.958 107.905 108.800 0.105 0.000 2.309 455 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.183 455 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.183 455 G C -0.277 174.723 174.900 0.167 0.000 1.063 455 G CA -0.009 45.165 45.100 0.122 0.000 0.768 455 G HN 0.103 nan 8.290 nan 0.000 0.490 456 L N 0.244 121.605 121.223 0.229 0.000 2.657 456 L HA 0.912 5.251 4.340 -0.002 0.000 0.240 456 L C 0.958 178.030 176.870 0.336 0.000 1.151 456 L CA -0.795 54.251 54.840 0.343 0.000 0.831 456 L CB 0.828 43.119 42.059 0.387 0.000 1.539 456 L HN 0.233 nan 8.230 nan 0.000 0.511 457 S N -1.533 114.393 115.700 0.376 0.000 2.541 457 S HA 0.790 5.259 4.470 -0.002 0.000 0.280 457 S C -1.229 173.516 174.600 0.242 0.000 1.112 457 S CA -0.530 57.722 58.200 0.086 0.000 0.925 457 S CB 1.847 65.052 63.200 0.010 0.000 1.067 457 S HN 0.518 nan 8.310 nan 0.000 0.479 458 Y N -0.468 119.907 120.300 0.124 0.000 3.080 458 Y HA 0.786 5.335 4.550 -0.002 0.000 0.254 458 Y C -1.260 174.682 175.900 0.070 0.000 2.152 458 Y CA -1.122 57.052 58.100 0.124 0.000 1.006 458 Y CB 0.591 39.126 38.460 0.125 0.000 2.289 458 Y HN 0.404 nan 8.280 nan 0.000 0.403 459 E N 0.627 121.056 120.200 0.382 0.000 2.347 459 E HA 0.227 4.576 4.350 -0.002 0.000 0.285 459 E C -1.503 175.250 176.600 0.255 0.000 0.925 459 E CA -0.783 55.740 56.400 0.206 0.000 0.779 459 E CB 2.700 32.467 29.700 0.112 0.000 1.233 459 E HN 0.518 nan 8.360 nan 0.000 0.414 460 E N 0.764 121.111 120.200 0.245 0.000 2.371 460 E HA 0.610 4.959 4.350 -0.002 0.000 0.257 460 E C -0.376 176.290 176.600 0.111 0.000 1.134 460 E CA -0.590 55.947 56.400 0.228 0.000 0.919 460 E CB 1.171 31.101 29.700 0.384 0.000 1.025 460 E HN 0.544 nan 8.360 nan 0.000 0.438 461 A N 1.676 124.540 122.820 0.073 0.000 2.495 461 A HA 0.308 4.627 4.320 -0.002 0.000 0.297 461 A C -1.147 176.500 177.584 0.105 0.000 1.036 461 A CA -0.691 51.381 52.037 0.058 0.000 0.982 461 A CB 0.236 19.230 19.000 -0.010 0.000 1.476 461 A HN 0.380 nan 8.150 nan 0.000 0.393 462 I N 2.288 122.942 120.570 0.139 0.000 2.365 462 I HA 0.670 4.838 4.170 -0.002 0.000 0.291 462 I C 1.032 177.165 176.117 0.026 0.000 1.004 462 I CA 1.401 62.769 61.300 0.113 0.000 1.311 462 I CB 1.304 39.344 38.000 0.068 0.000 1.401 462 I HN 1.810 nan 8.210 nan 0.000 0.491 463 G N 5.266 114.063 108.800 -0.005 0.000 2.148 463 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.203 463 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.203 463 G C 0.473 175.363 174.900 -0.017 0.000 0.993 463 G CA 0.086 45.169 45.100 -0.030 0.000 0.661 463 G HN 0.575 nan 8.290 nan 0.000 0.518 464 E N -0.465 119.730 120.200 -0.008 0.000 2.562 464 E HA 0.479 4.828 4.350 -0.002 0.000 0.214 464 E C 1.467 178.064 176.600 -0.005 0.000 0.979 464 E CA 0.640 57.035 56.400 -0.008 0.000 1.002 464 E CB 0.863 30.553 29.700 -0.016 0.000 1.048 464 E HN 0.795 nan 8.360 nan 0.000 0.488 465 A N 1.159 123.985 122.820 0.010 0.000 2.250 465 A HA 0.695 5.014 4.320 -0.002 0.000 0.283 465 A C 0.287 177.868 177.584 -0.005 0.000 1.206 465 A CA 0.097 52.159 52.037 0.041 0.000 0.840 465 A CB 0.330 19.447 19.000 0.195 0.000 1.220 465 A HN 0.112 nan 8.150 nan 0.000 0.505 466 A N -1.059 121.700 122.820 -0.103 0.000 2.304 466 A HA 0.523 4.842 4.320 -0.002 0.000 0.301 466 A C 0.482 177.873 177.584 -0.321 0.000 1.132 466 A CA -0.117 51.657 52.037 -0.439 0.000 0.819 466 A CB -0.134 18.164 19.000 -1.170 0.000 1.094 466 A HN 1.639 nan 8.150 nan 0.000 0.492 467 F N 0.897 120.659 119.950 -0.314 0.000 2.529 467 F HA -0.166 4.359 4.527 -0.002 0.000 0.297 467 F C 0.788 176.547 175.800 -0.070 0.000 1.114 467 F CA 1.374 59.297 58.000 -0.128 0.000 1.467 467 F CB -0.948 37.996 39.000 -0.093 0.000 1.096 467 F HN 0.567 nan 8.300 nan 0.000 0.586 468 Y N -1.060 119.093 120.300 -0.245 0.000 2.527 468 Y HA 0.745 5.294 4.550 -0.002 0.000 0.247 468 Y C 0.617 176.296 175.900 -0.367 0.000 1.138 468 Y CA -1.034 56.900 58.100 -0.277 0.000 1.228 468 Y CB -0.187 37.955 38.460 -0.530 0.000 1.252 468 Y HN 0.147 nan 8.280 nan 0.000 0.531 469 G N 0.366 108.943 108.800 -0.371 0.000 2.328 469 G HA2 0.394 4.353 3.960 -0.002 0.000 0.295 469 G HA3 0.394 4.353 3.960 -0.002 0.000 0.295 469 G C -3.549 171.316 174.900 -0.058 0.000 1.413 469 G CA -1.201 43.657 45.100 -0.404 0.000 0.817 469 G HN -0.149 nan 8.290 nan 0.000 0.546 470 P HA 0.462 nan 4.420 nan 0.000 0.282 470 P C -1.047 176.278 177.300 0.043 0.000 1.259 470 P CA -0.294 62.917 63.100 0.186 0.000 0.826 470 P CB 1.902 33.777 31.700 0.293 0.000 1.064 471 K N 0.800 121.211 120.400 0.018 0.000 2.395 471 K HA 0.617 4.936 4.320 -0.002 0.000 0.245 471 K C -0.775 175.836 176.600 0.018 0.000 1.017 471 K CA -1.052 55.254 56.287 0.032 0.000 0.852 471 K CB 1.847 34.357 32.500 0.016 0.000 1.311 471 K HN 0.332 nan 8.250 nan 0.000 0.452 472 L N 2.430 123.704 121.223 0.085 0.000 2.313 472 L HA 0.286 4.625 4.340 -0.002 0.000 0.273 472 L C -1.386 175.494 176.870 0.018 0.000 1.028 472 L CA -0.688 54.170 54.840 0.030 0.000 0.871 472 L CB 0.696 42.821 42.059 0.110 0.000 1.242 472 L HN 0.567 nan 8.230 nan 0.000 0.434 473 D N 3.978 124.402 120.400 0.041 0.000 2.313 473 D HA 0.192 4.831 4.640 -0.002 0.000 0.239 473 D C -0.120 176.291 176.300 0.186 0.000 1.142 473 D CA -0.059 53.990 54.000 0.082 0.000 0.847 473 D CB 2.131 42.965 40.800 0.057 0.000 1.082 473 D HN 0.127 nan 8.370 nan 0.000 0.480 474 V N 4.167 124.201 119.914 0.200 0.000 2.387 474 V HA 0.056 4.175 4.120 -0.002 0.000 0.260 474 V C 0.501 176.691 176.094 0.159 0.000 1.054 474 V CA -0.561 61.916 62.300 0.294 0.000 0.967 474 V CB 0.235 32.173 31.823 0.192 0.000 1.036 474 V HN 0.296 nan 8.190 nan 0.000 0.481 475 Q N 3.458 123.343 119.800 0.142 0.000 2.261 475 Q HA 0.633 4.972 4.340 -0.002 0.000 0.252 475 Q C -0.445 175.554 176.000 -0.001 0.000 0.915 475 Q CA -0.256 55.575 55.803 0.046 0.000 0.915 475 Q CB 2.564 31.330 28.738 0.046 0.000 1.204 475 Q HN 0.517 nan 8.270 nan 0.000 0.421 476 V N 1.678 121.512 119.914 -0.133 0.000 3.040 476 V HA 0.405 4.524 4.120 -0.002 0.000 0.312 476 V C -0.737 175.247 176.094 -0.183 0.000 1.115 476 V CA -0.850 61.287 62.300 -0.272 0.000 0.998 476 V CB 2.806 34.117 31.823 -0.854 0.000 1.042 476 V HN 0.627 nan 8.190 nan 0.000 0.433 477 K N 1.958 122.311 120.400 -0.080 0.000 2.265 477 K HA 0.459 4.778 4.320 -0.002 0.000 0.267 477 K C -0.075 176.552 176.600 0.045 0.000 0.994 477 K CA -0.317 55.961 56.287 -0.015 0.000 0.860 477 K CB 1.474 33.978 32.500 0.008 0.000 1.099 477 K HN 0.838 nan 8.250 nan 0.000 0.448 478 T N 2.034 116.591 114.554 0.006 0.000 2.716 478 T HA -0.053 4.296 4.350 -0.002 0.000 0.335 478 T C 1.494 176.201 174.700 0.011 0.000 1.081 478 T CA 0.474 62.587 62.100 0.022 0.000 1.073 478 T CB 0.710 69.569 68.868 -0.015 0.000 0.993 478 T HN 0.735 nan 8.240 nan 0.000 0.547 479 A N 1.389 124.205 122.820 -0.007 0.000 1.968 479 A HA -0.038 4.281 4.320 -0.002 0.000 0.217 479 A C 2.165 179.728 177.584 -0.036 0.000 1.169 479 A CA 1.596 53.612 52.037 -0.035 0.000 0.638 479 A CB -0.732 18.245 19.000 -0.038 0.000 0.812 479 A HN 0.920 nan 8.150 nan 0.000 0.446 480 M N -2.439 117.143 119.600 -0.029 0.000 2.659 480 M HA 0.330 4.809 4.480 -0.002 0.000 0.243 480 M C 1.232 177.495 176.300 -0.062 0.000 1.111 480 M CA 1.318 56.587 55.300 -0.051 0.000 1.070 480 M CB -0.098 32.469 32.600 -0.054 0.000 1.525 480 M HN 0.596 nan 8.290 nan 0.000 0.517 481 G N 0.453 109.226 108.800 -0.045 0.000 2.258 481 G HA2 -0.204 3.754 3.960 -0.002 0.000 0.233 481 G HA3 -0.204 3.754 3.960 -0.002 0.000 0.233 481 G C 0.119 174.996 174.900 -0.038 0.000 1.006 481 G CA -0.088 44.988 45.100 -0.039 0.000 0.620 481 G HN 0.425 nan 8.290 nan 0.000 0.511 482 K N 1.857 122.226 120.400 -0.051 0.000 2.561 482 K HA 0.108 4.427 4.320 -0.002 0.000 0.280 482 K C 0.460 177.035 176.600 -0.042 0.000 0.975 482 K CA 0.501 56.757 56.287 -0.052 0.000 1.024 482 K CB 0.259 32.725 32.500 -0.057 0.000 0.883 482 K HN 0.535 nan 8.250 nan 0.000 0.496 483 E N 2.751 122.928 120.200 -0.038 0.000 2.266 483 E HA 0.112 4.461 4.350 -0.002 0.000 0.277 483 E C -0.243 176.328 176.600 -0.048 0.000 1.018 483 E CA -0.284 56.093 56.400 -0.039 0.000 0.840 483 E CB 1.228 30.915 29.700 -0.022 0.000 1.082 483 E HN 0.538 nan 8.360 nan 0.000 0.395 484 E N 0.478 120.634 120.200 -0.073 0.000 2.408 484 E HA 0.408 4.757 4.350 -0.002 0.000 0.275 484 E C -1.154 175.401 176.600 -0.075 0.000 0.935 484 E CA -0.888 55.468 56.400 -0.074 0.000 0.775 484 E CB 1.260 30.902 29.700 -0.097 0.000 1.277 484 E HN 0.042 nan 8.360 nan 0.000 0.455 485 T N 2.352 116.883 114.554 -0.037 0.000 2.749 485 T HA 0.158 4.507 4.350 -0.002 0.000 0.295 485 T C 0.233 174.919 174.700 -0.024 0.000 0.936 485 T CA -0.308 61.786 62.100 -0.010 0.000 1.060 485 T CB 0.761 69.642 68.868 0.021 0.000 0.904 485 T HN 0.450 nan 8.240 nan 0.000 0.500 486 L N 3.775 124.987 121.223 -0.018 0.000 2.296 486 L HA 0.386 4.724 4.340 -0.002 0.000 0.193 486 L C 1.067 178.006 176.870 0.116 0.000 1.123 486 L CA 1.164 56.007 54.840 0.005 0.000 0.805 486 L CB -0.020 42.001 42.059 -0.062 0.000 1.004 486 L HN 0.496 nan 8.230 nan 0.000 0.478 487 S N -1.422 114.374 115.700 0.159 0.000 2.690 487 S HA 0.636 5.104 4.470 -0.002 0.000 0.291 487 S C -0.360 174.273 174.600 0.055 0.000 1.138 487 S CA -0.394 57.873 58.200 0.112 0.000 1.013 487 S CB 1.662 64.914 63.200 0.087 0.000 1.053 487 S HN 0.339 nan 8.310 nan 0.000 0.539 488 T N 0.070 114.635 114.554 0.018 0.000 3.225 488 T HA 0.559 4.908 4.350 -0.002 0.000 0.356 488 T C -2.071 172.620 174.700 -0.014 0.000 1.460 488 T CA -0.427 61.681 62.100 0.013 0.000 1.126 488 T CB 0.935 69.827 68.868 0.040 0.000 1.321 488 T HN 0.863 nan 8.240 nan 0.000 0.478 489 A N 4.966 127.774 122.820 -0.019 0.000 2.466 489 A HA 0.695 5.014 4.320 -0.002 0.000 0.291 489 A C -0.073 177.636 177.584 0.208 0.000 1.234 489 A CA -0.720 51.307 52.037 -0.017 0.000 0.752 489 A CB 0.808 19.591 19.000 -0.361 0.000 1.153 489 A HN 0.775 nan 8.150 nan 0.000 0.458 490 Q N 1.736 121.641 119.800 0.174 0.000 2.195 490 Q HA 0.791 5.130 4.340 -0.002 0.000 0.250 490 Q C -1.316 174.754 176.000 0.118 0.000 0.988 490 Q CA -0.806 55.076 55.803 0.133 0.000 0.911 490 Q CB 1.628 30.378 28.738 0.020 0.000 1.258 490 Q HN 0.534 nan 8.270 nan 0.000 0.475 491 L N 1.191 122.412 121.223 -0.004 0.000 2.325 491 L HA 0.373 4.712 4.340 -0.002 0.000 0.281 491 L C -1.182 175.617 176.870 -0.117 0.000 1.004 491 L CA -0.454 54.323 54.840 -0.106 0.000 0.823 491 L CB 1.788 43.753 42.059 -0.157 0.000 1.236 491 L HN 0.672 nan 8.230 nan 0.000 0.415 492 D N 1.913 122.195 120.400 -0.196 0.000 2.481 492 D HA 0.337 4.976 4.640 -0.002 0.000 0.246 492 D C -0.117 176.011 176.300 -0.288 0.000 1.109 492 D CA -0.175 53.746 54.000 -0.131 0.000 0.845 492 D CB 1.061 41.865 40.800 0.008 0.000 1.160 492 D HN 0.238 nan 8.370 nan 0.000 0.534 493 F N 2.265 122.160 119.950 -0.091 0.000 2.694 493 F HA 0.181 4.707 4.527 -0.002 0.000 0.292 493 F C 1.639 177.427 175.800 -0.020 0.000 1.121 493 F CA -0.342 57.618 58.000 -0.067 0.000 1.352 493 F CB 0.134 39.073 39.000 -0.102 0.000 1.107 493 F HN 0.325 nan 8.300 nan 0.000 0.597 494 L N 0.133 121.454 121.223 0.164 0.000 1.937 494 L HA -0.168 4.170 4.340 -0.002 0.000 0.213 494 L C 2.105 179.088 176.870 0.188 0.000 1.077 494 L CA 1.847 56.784 54.840 0.162 0.000 0.758 494 L CB -0.932 41.233 42.059 0.177 0.000 0.888 494 L HN -0.014 nan 8.230 nan 0.000 0.433 495 L N -0.186 121.156 121.223 0.199 0.000 2.137 495 L HA -0.189 4.149 4.340 -0.002 0.000 0.213 495 L C -0.536 176.528 176.870 0.323 0.000 1.085 495 L CA 2.101 57.130 54.840 0.317 0.000 0.760 495 L CB -2.262 39.929 42.059 0.219 0.000 0.893 495 L HN 0.267 nan 8.230 nan 0.000 0.434 496 P HA -0.121 nan 4.420 nan 0.000 0.222 496 P C 1.572 178.993 177.300 0.201 0.000 1.147 496 P CA 0.919 64.122 63.100 0.172 0.000 0.790 496 P CB 0.194 31.943 31.700 0.083 0.000 0.780 497 E N -0.555 119.756 120.200 0.184 0.000 2.042 497 E HA -0.023 4.325 4.350 -0.002 0.000 0.189 497 E C 2.103 178.783 176.600 0.133 0.000 0.974 497 E CA 0.759 57.248 56.400 0.149 0.000 0.806 497 E CB -0.349 29.432 29.700 0.136 0.000 0.769 497 E HN 0.087 nan 8.360 nan 0.000 0.451 498 R N -0.088 120.499 120.500 0.145 0.000 2.139 498 R HA -0.142 4.197 4.340 -0.002 0.000 0.243 498 R C 1.856 178.051 176.300 -0.176 0.000 1.145 498 R CA 0.951 57.064 56.100 0.022 0.000 0.976 498 R CB -0.629 29.718 30.300 0.079 0.000 0.866 498 R HN 0.185 nan 8.270 nan 0.000 0.449 499 F N 0.582 120.586 119.950 0.089 0.000 2.641 499 F HA 0.101 4.627 4.527 -0.002 0.000 0.302 499 F C 0.266 176.113 175.800 0.080 0.000 1.098 499 F CA -0.685 57.361 58.000 0.078 0.000 1.318 499 F CB -0.121 38.931 39.000 0.087 0.000 1.035 499 F HN -0.011 nan 8.300 nan 0.000 0.551 500 D N 1.541 122.039 120.400 0.163 0.000 2.686 500 D HA -0.225 4.414 4.640 -0.002 0.000 0.235 500 D C -0.164 176.236 176.300 0.168 0.000 1.160 500 D CA 0.396 54.474 54.000 0.131 0.000 0.645 500 D CB -0.937 39.912 40.800 0.081 0.000 1.039 500 D HN 0.215 nan 8.370 nan 0.000 0.423 501 L N -0.539 120.818 121.223 0.222 0.000 2.479 501 L HA 0.670 5.009 4.340 -0.002 0.000 0.249 501 L C 1.118 178.108 176.870 0.199 0.000 1.178 501 L CA 0.145 55.139 54.840 0.256 0.000 0.811 501 L CB 1.577 43.823 42.059 0.313 0.000 1.187 501 L HN 0.340 nan 8.230 nan 0.000 0.480 502 T N -0.670 114.045 114.554 0.269 0.000 2.927 502 T HA 0.374 4.723 4.350 -0.002 0.000 0.350 502 T C -1.437 173.436 174.700 0.288 0.000 1.746 502 T CA -0.656 61.531 62.100 0.144 0.000 1.081 502 T CB 0.870 69.638 68.868 -0.166 0.000 1.551 502 T HN 0.491 nan 8.240 nan 0.000 0.489 503 Y N 1.757 122.180 120.300 0.205 0.000 2.675 503 Y HA 0.932 5.481 4.550 -0.002 0.000 0.328 503 Y C -0.949 175.076 175.900 0.209 0.000 1.092 503 Y CA -1.605 56.644 58.100 0.249 0.000 1.190 503 Y CB 1.050 39.683 38.460 0.288 0.000 1.350 503 Y HN 0.635 nan 8.280 nan 0.000 0.525 504 I N 1.638 122.453 120.570 0.409 0.000 2.436 504 I HA 0.520 4.688 4.170 -0.002 0.000 0.289 504 I C 0.592 176.974 176.117 0.442 0.000 1.010 504 I CA -0.706 60.786 61.300 0.321 0.000 1.098 504 I CB 1.794 39.952 38.000 0.263 0.000 1.266 504 I HN 0.997 nan 8.210 nan 0.000 0.434 505 G N 3.202 112.179 108.800 0.294 0.000 2.684 505 G HA2 0.005 3.964 3.960 -0.002 0.000 0.255 505 G HA3 0.005 3.964 3.960 -0.002 0.000 0.255 505 G C 0.554 175.409 174.900 -0.076 0.000 1.219 505 G CA -0.133 45.041 45.100 0.123 0.000 0.901 505 G HN 0.755 nan 8.290 nan 0.000 0.548 506 Q N -1.061 118.515 119.800 -0.375 0.000 2.112 506 Q HA -0.168 4.171 4.340 -0.002 0.000 0.206 506 Q C 1.428 177.388 176.000 -0.068 0.000 0.987 506 Q CA 2.344 57.961 55.803 -0.310 0.000 0.858 506 Q CB 0.018 28.575 28.738 -0.302 0.000 0.905 506 Q HN 0.676 nan 8.270 nan 0.000 0.420 507 D N -2.507 117.869 120.400 -0.040 0.000 2.355 507 D HA 0.098 4.737 4.640 -0.002 0.000 0.233 507 D C 1.263 177.570 176.300 0.011 0.000 0.997 507 D CA 1.412 55.407 54.000 -0.008 0.000 0.920 507 D CB 0.479 41.270 40.800 -0.016 0.000 1.063 507 D HN 0.428 nan 8.370 nan 0.000 0.465 508 G N 0.225 109.031 108.800 0.010 0.000 4.452 508 G HA2 -0.061 3.898 3.960 -0.002 0.000 0.157 508 G HA3 -0.061 3.898 3.960 -0.002 0.000 0.157 508 G C -0.456 174.442 174.900 -0.004 0.000 0.823 508 G CA -0.372 44.738 45.100 0.017 0.000 0.808 508 G HN 0.146 nan 8.290 nan 0.000 0.443 509 E N 1.297 121.474 120.200 -0.039 0.000 2.467 509 E HA 0.259 4.607 4.350 -0.002 0.000 0.264 509 E C -0.270 176.286 176.600 -0.074 0.000 1.020 509 E CA 0.258 56.582 56.400 -0.126 0.000 0.945 509 E CB 0.155 29.752 29.700 -0.171 0.000 0.942 509 E HN 0.571 nan 8.360 nan 0.000 0.449 510 H N 1.377 120.277 119.070 -0.285 0.000 2.502 510 H HA 0.250 4.804 4.556 -0.002 0.000 0.327 510 H C -0.315 174.676 175.328 -0.561 0.000 1.099 510 H CA -0.629 55.246 56.048 -0.288 0.000 1.323 510 H CB 0.729 30.402 29.762 -0.148 0.000 1.450 510 H HN 0.429 nan 8.280 nan 0.000 0.502 511 H N 2.406 121.286 119.070 -0.317 0.000 2.589 511 H HA 0.189 4.743 4.556 -0.002 0.000 0.351 511 H C -0.311 174.847 175.328 -0.282 0.000 1.074 511 H CA -0.786 54.975 56.048 -0.479 0.000 1.203 511 H CB 1.873 30.896 29.762 -1.232 0.000 1.558 511 H HN 0.503 nan 8.280 nan 0.000 0.522 512 R N 4.054 124.606 120.500 0.087 0.000 2.316 512 R HA 0.171 4.510 4.340 -0.002 0.000 0.314 512 R C -2.229 174.254 176.300 0.304 0.000 1.069 512 R CA -1.007 55.197 56.100 0.172 0.000 0.959 512 R CB 0.516 30.907 30.300 0.151 0.000 0.987 512 R HN 0.404 nan 8.270 nan 0.000 0.446 513 P HA 0.169 nan 4.420 nan 0.000 0.279 513 P C -1.030 176.301 177.300 0.052 0.000 1.276 513 P CA -0.404 62.869 63.100 0.289 0.000 0.801 513 P CB 1.176 33.020 31.700 0.240 0.000 1.127 514 V N 0.129 119.984 119.914 -0.099 0.000 2.715 514 V HA 0.325 4.444 4.120 -0.002 0.000 0.310 514 V C 0.158 176.004 176.094 -0.413 0.000 1.054 514 V CA -0.831 61.280 62.300 -0.315 0.000 0.928 514 V CB 2.236 33.780 31.823 -0.465 0.000 1.007 514 V HN 0.259 nan 8.190 nan 0.000 0.437 515 V N 5.140 124.761 119.914 -0.489 0.000 2.459 515 V HA 0.514 4.633 4.120 -0.002 0.000 0.295 515 V C -0.306 175.629 176.094 -0.266 0.000 1.029 515 V CA -0.377 61.604 62.300 -0.531 0.000 0.874 515 V CB 1.764 33.155 31.823 -0.719 0.000 0.985 515 V HN 0.652 nan 8.190 nan 0.000 0.438 516 I N 5.291 125.741 120.570 -0.198 0.000 2.354 516 I HA 0.445 4.614 4.170 -0.002 0.000 0.292 516 I C -0.173 175.982 176.117 0.065 0.000 0.989 516 I CA -0.463 60.845 61.300 0.014 0.000 1.188 516 I CB 0.976 38.995 38.000 0.033 0.000 1.342 516 I HN 0.590 nan 8.210 nan 0.000 0.457 517 H N 6.316 125.355 119.070 -0.052 0.000 2.459 517 H HA 0.621 5.175 4.556 -0.002 0.000 0.332 517 H C -0.799 174.472 175.328 -0.095 0.000 1.094 517 H CA -1.190 54.795 56.048 -0.105 0.000 1.224 517 H CB 1.461 31.222 29.762 -0.002 0.000 1.449 517 H HN 0.464 nan 8.280 nan 0.000 0.484 518 R N 1.073 121.546 120.500 -0.044 0.000 2.651 518 R HA 0.511 4.850 4.340 -0.002 0.000 0.278 518 R C -0.689 175.570 176.300 -0.068 0.000 1.010 518 R CA -1.252 54.819 56.100 -0.048 0.000 0.896 518 R CB 0.743 31.000 30.300 -0.072 0.000 1.211 518 R HN 0.716 nan 8.270 nan 0.000 0.456 519 G N 1.068 109.844 108.800 -0.041 0.000 3.114 519 G HA2 0.431 4.390 3.960 -0.002 0.000 0.320 519 G HA3 0.431 4.390 3.960 -0.002 0.000 0.320 519 G C 0.015 174.900 174.900 -0.025 0.000 1.453 519 G CA -0.683 44.395 45.100 -0.037 0.000 1.084 519 G HN 0.359 nan 8.290 nan 0.000 0.516 520 V N 2.343 122.224 119.914 -0.056 0.000 2.237 520 V HA -0.122 3.997 4.120 -0.002 0.000 0.245 520 V C 2.169 178.272 176.094 0.015 0.000 1.046 520 V CA 1.682 63.962 62.300 -0.033 0.000 1.007 520 V CB -0.062 31.718 31.823 -0.072 0.000 0.638 520 V HN 0.407 nan 8.190 nan 0.000 0.445 521 V N 0.058 119.903 119.914 -0.114 0.000 3.039 521 V HA 0.327 4.446 4.120 -0.002 0.000 0.369 521 V C 0.810 176.771 176.094 -0.222 0.000 1.344 521 V CA 0.762 62.844 62.300 -0.363 0.000 1.270 521 V CB -0.603 30.792 31.823 -0.713 0.000 1.284 521 V HN 0.739 nan 8.190 nan 0.000 0.518 522 S N 0.718 116.432 115.700 0.023 0.000 2.962 522 S HA -0.226 4.243 4.470 -0.002 0.000 0.632 522 S C 0.609 175.240 174.600 0.053 0.000 3.058 522 S CA 1.472 59.724 58.200 0.088 0.000 3.371 522 S CB -1.068 62.253 63.200 0.202 0.000 0.324 522 S HN 1.283 nan 8.310 nan 0.000 1.722 523 T N 0.484 115.091 114.554 0.089 0.000 2.897 523 T HA 0.513 4.861 4.350 -0.002 0.000 0.294 523 T C 1.722 176.503 174.700 0.135 0.000 1.004 523 T CA -0.273 61.871 62.100 0.073 0.000 1.106 523 T CB 0.840 69.749 68.868 0.067 0.000 0.949 523 T HN 0.479 nan 8.240 nan 0.000 0.520 524 M N 1.498 121.160 119.600 0.104 0.000 2.088 524 M HA -0.126 4.353 4.480 -0.002 0.000 0.256 524 M C 2.022 178.538 176.300 0.359 0.000 1.071 524 M CA 1.786 57.184 55.300 0.164 0.000 1.097 524 M CB -1.740 30.854 32.600 -0.011 0.000 1.315 524 M HN 0.758 nan 8.290 nan 0.000 0.406 525 E N -0.282 120.146 120.200 0.379 0.000 2.021 525 E HA -0.194 4.155 4.350 -0.002 0.000 0.200 525 E C 2.204 178.839 176.600 0.058 0.000 1.015 525 E CA 1.718 58.269 56.400 0.251 0.000 0.824 525 E CB -0.415 29.365 29.700 0.133 0.000 0.762 525 E HN 0.399 nan 8.360 nan 0.000 0.454 526 R N -0.470 120.064 120.500 0.056 0.000 2.091 526 R HA -0.157 4.182 4.340 -0.002 0.000 0.238 526 R C 2.281 178.592 176.300 0.018 0.000 1.136 526 R CA 1.327 57.423 56.100 -0.007 0.000 0.959 526 R CB -0.405 29.900 30.300 0.009 0.000 0.856 526 R HN 0.224 nan 8.270 nan 0.000 0.437 527 F N 0.527 120.478 119.950 0.002 0.000 2.134 527 F HA -0.184 4.341 4.527 -0.002 0.000 0.299 527 F C 1.993 177.827 175.800 0.057 0.000 1.097 527 F CA 1.333 59.344 58.000 0.020 0.000 1.264 527 F CB -0.094 38.897 39.000 -0.014 0.000 1.001 527 F HN -0.193 nan 8.300 nan 0.000 0.479 528 V N -0.087 119.921 119.914 0.157 0.000 2.453 528 V HA -0.216 3.903 4.120 -0.002 0.000 0.247 528 V C 2.616 178.683 176.094 -0.045 0.000 1.048 528 V CA 1.428 63.792 62.300 0.106 0.000 1.049 528 V CB -1.208 30.775 31.823 0.267 0.000 0.672 528 V HN 0.439 nan 8.190 nan 0.000 0.457 529 A N -0.201 122.516 122.820 -0.171 0.000 1.877 529 A HA -0.254 4.065 4.320 -0.002 0.000 0.216 529 A C 2.107 179.496 177.584 -0.325 0.000 1.186 529 A CA 2.120 53.922 52.037 -0.392 0.000 0.620 529 A CB -0.703 17.818 19.000 -0.798 0.000 0.822 529 A HN 0.510 nan 8.150 nan 0.000 0.443 530 F N 0.205 119.891 119.950 -0.440 0.000 2.084 530 F HA -0.113 4.413 4.527 -0.002 0.000 0.296 530 F C 1.896 177.429 175.800 -0.444 0.000 1.111 530 F CA 1.647 59.358 58.000 -0.482 0.000 1.224 530 F CB -0.549 38.087 39.000 -0.607 0.000 0.991 530 F HN 0.193 nan 8.300 nan 0.000 0.471 531 L N 0.089 121.030 121.223 -0.471 0.000 2.043 531 L HA -0.223 4.116 4.340 -0.002 0.000 0.212 531 L C 2.209 178.975 176.870 -0.173 0.000 1.075 531 L CA 2.545 57.216 54.840 -0.282 0.000 0.752 531 L CB -1.217 40.843 42.059 0.003 0.000 0.891 531 L HN 0.230 nan 8.230 nan 0.000 0.432 532 T N -0.522 114.000 114.554 -0.052 0.000 2.674 532 T HA -0.191 4.158 4.350 -0.002 0.000 0.265 532 T C 1.667 176.202 174.700 -0.276 0.000 1.039 532 T CA 1.823 63.872 62.100 -0.084 0.000 1.150 532 T CB -0.269 68.689 68.868 0.150 0.000 0.864 532 T HN 0.488 nan 8.240 nan 0.000 0.427 533 E N 0.694 120.729 120.200 -0.275 0.000 2.058 533 E HA -0.183 4.166 4.350 -0.002 0.000 0.194 533 E C 2.298 178.650 176.600 -0.414 0.000 0.997 533 E CA 1.094 57.319 56.400 -0.292 0.000 0.801 533 E CB -0.151 29.398 29.700 -0.251 0.000 0.746 533 E HN 0.309 nan 8.360 nan 0.000 0.450 534 E N -0.112 119.683 120.200 -0.676 0.000 2.267 534 E HA -0.130 4.219 4.350 -0.002 0.000 0.197 534 E C 1.557 177.931 176.600 -0.376 0.000 0.998 534 E CA 1.123 57.124 56.400 -0.666 0.000 0.830 534 E CB 0.020 29.053 29.700 -1.112 0.000 0.751 534 E HN 0.098 nan 8.360 nan 0.000 0.491 535 T N -1.231 113.099 114.554 -0.372 0.000 3.084 535 T HA 0.110 4.459 4.350 -0.002 0.000 0.270 535 T C -0.043 174.434 174.700 -0.373 0.000 1.008 535 T CA 0.126 62.019 62.100 -0.344 0.000 0.900 535 T CB -0.196 68.425 68.868 -0.412 0.000 1.084 535 T HN 0.198 nan 8.240 nan 0.000 0.538 536 K N 0.564 120.773 120.400 -0.318 0.000 2.905 536 K HA -0.283 4.036 4.320 -0.002 0.000 0.256 536 K C 1.105 177.515 176.600 -0.316 0.000 1.008 536 K CA 0.705 56.843 56.287 -0.249 0.000 0.752 536 K CB -1.949 30.456 32.500 -0.157 0.000 1.216 536 K HN 0.639 nan 8.250 nan 0.000 0.479 537 G N -0.653 107.817 108.800 -0.550 0.000 2.284 537 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.216 537 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.216 537 G C 0.380 174.841 174.900 -0.732 0.000 1.009 537 G CA 0.028 44.742 45.100 -0.643 0.000 0.625 537 G HN 0.848 nan 8.290 nan 0.000 0.501 538 A N 1.180 123.659 122.820 -0.568 0.000 3.048 538 A HA 0.631 4.950 4.320 -0.002 0.000 0.264 538 A C 0.272 177.663 177.584 -0.322 0.000 1.796 538 A CA -0.186 51.585 52.037 -0.444 0.000 1.445 538 A CB -0.988 17.856 19.000 -0.260 0.000 1.074 538 A HN 0.498 nan 8.150 nan 0.000 0.621 539 F N 2.105 121.965 119.950 -0.149 0.000 2.563 539 F HA 0.212 4.738 4.527 -0.002 0.000 0.363 539 F C -1.285 174.468 175.800 -0.079 0.000 1.123 539 F CA -1.527 56.404 58.000 -0.116 0.000 1.307 539 F CB 0.174 39.092 39.000 -0.136 0.000 1.115 539 F HN 0.358 nan 8.300 nan 0.000 0.592 540 P HA 0.002 nan 4.420 nan 0.000 0.269 540 P C 0.616 178.017 177.300 0.168 0.000 1.209 540 P CA 0.067 63.279 63.100 0.188 0.000 0.776 540 P CB 0.528 32.420 31.700 0.320 0.000 0.876 541 T N 1.812 116.497 114.554 0.218 0.000 2.620 541 T HA -0.205 4.144 4.350 -0.002 0.000 0.267 541 T C 1.589 176.409 174.700 0.201 0.000 1.044 541 T CA 2.119 64.347 62.100 0.213 0.000 1.161 541 T CB -0.780 68.246 68.868 0.265 0.000 0.862 541 T HN 0.637 nan 8.240 nan 0.000 0.438 542 W N 2.058 123.351 121.300 -0.011 0.000 2.318 542 W HA -0.110 4.549 4.660 -0.002 0.000 0.313 542 W C 1.553 178.044 176.519 -0.047 0.000 1.221 542 W CA 0.863 58.176 57.345 -0.053 0.000 1.266 542 W CB -1.558 27.838 29.460 -0.107 0.000 1.150 542 W HN 0.284 nan 8.180 nan 0.000 0.496 543 L N 1.379 122.238 121.223 -0.607 0.000 2.313 543 L HA 0.199 4.538 4.340 -0.002 0.000 0.214 543 L C 1.852 178.509 176.870 -0.355 0.000 1.119 543 L CA 0.340 54.779 54.840 -0.668 0.000 0.809 543 L CB -1.216 40.301 42.059 -0.904 0.000 0.933 543 L HN -0.101 nan 8.230 nan 0.000 0.449 544 A N 0.909 123.640 122.820 -0.148 0.000 2.561 544 A HA 0.069 4.388 4.320 -0.002 0.000 0.251 544 A C -1.412 176.130 177.584 -0.070 0.000 1.062 544 A CA -0.797 51.213 52.037 -0.045 0.000 0.761 544 A CB -0.134 18.898 19.000 0.053 0.000 0.986 544 A HN 0.029 nan 8.150 nan 0.000 0.510 545 P HA -0.150 nan 4.420 nan 0.000 0.216 545 P C 0.340 177.632 177.300 -0.013 0.000 1.154 545 P CA 1.846 64.911 63.100 -0.058 0.000 0.865 545 P CB 0.167 31.843 31.700 -0.039 0.000 0.789 546 K N -1.058 119.349 120.400 0.012 0.000 2.471 546 K HA 0.219 4.538 4.320 -0.002 0.000 0.252 546 K C 0.332 176.967 176.600 0.059 0.000 0.938 546 K CA -0.426 55.880 56.287 0.032 0.000 0.796 546 K CB 1.379 33.898 32.500 0.032 0.000 1.161 546 K HN -0.191 nan 8.250 nan 0.000 0.425 547 Q N 1.177 121.026 119.800 0.082 0.000 2.297 547 Q HA 0.138 4.476 4.340 -0.002 0.000 0.203 547 Q C -0.266 175.870 176.000 0.225 0.000 0.931 547 Q CA 0.404 56.295 55.803 0.146 0.000 0.885 547 Q CB 0.893 29.706 28.738 0.124 0.000 0.991 547 Q HN 0.387 nan 8.270 nan 0.000 0.498 548 V N 0.765 120.780 119.914 0.168 0.000 2.808 548 V HA 0.280 4.399 4.120 -0.002 0.000 0.308 548 V C -1.245 174.920 176.094 0.117 0.000 1.099 548 V CA -0.928 61.491 62.300 0.199 0.000 0.920 548 V CB 1.962 33.909 31.823 0.207 0.000 1.014 548 V HN -0.037 nan 8.190 nan 0.000 0.425 549 Q N 3.961 123.825 119.800 0.106 0.000 2.357 549 Q HA 0.616 4.955 4.340 -0.002 0.000 0.266 549 Q C -1.087 174.937 176.000 0.040 0.000 1.021 549 Q CA -0.194 55.646 55.803 0.061 0.000 0.784 549 Q CB 1.298 30.067 28.738 0.051 0.000 1.243 549 Q HN 0.730 nan 8.270 nan 0.000 0.465 550 I N 4.968 125.548 120.570 0.018 0.000 2.315 550 I HA 0.404 4.573 4.170 -0.002 0.000 0.291 550 I C -0.214 175.909 176.117 0.010 0.000 1.006 550 I CA -0.617 60.676 61.300 -0.011 0.000 1.265 550 I CB 0.741 38.709 38.000 -0.053 0.000 1.387 550 I HN 0.516 nan 8.210 nan 0.000 0.475 551 I N 8.421 129.001 120.570 0.017 0.000 2.382 551 I HA 0.359 4.528 4.170 -0.002 0.000 0.285 551 I C -2.219 173.933 176.117 0.059 0.000 1.007 551 I CA -1.945 59.384 61.300 0.047 0.000 1.142 551 I CB 1.656 39.683 38.000 0.046 0.000 1.289 551 I HN 0.353 nan 8.210 nan 0.000 0.453 552 P HA 0.175 nan 4.420 nan 0.000 0.276 552 P C 0.640 178.052 177.300 0.187 0.000 1.252 552 P CA -0.325 62.865 63.100 0.151 0.000 0.802 552 P CB 2.145 33.976 31.700 0.219 0.000 1.035 553 V N 0.936 121.029 119.914 0.299 0.000 2.273 553 V HA -0.072 4.047 4.120 -0.002 0.000 0.242 553 V C 1.350 177.619 176.094 0.293 0.000 1.035 553 V CA 1.608 64.099 62.300 0.317 0.000 1.013 553 V CB -0.953 31.074 31.823 0.341 0.000 0.652 553 V HN 0.705 nan 8.190 nan 0.000 0.452 554 N N 0.038 118.930 118.700 0.321 0.000 2.479 554 N HA 0.202 4.941 4.740 -0.002 0.000 0.261 554 N C 0.342 175.873 175.510 0.035 0.000 0.979 554 N CA -0.165 52.870 53.050 -0.025 0.000 0.930 554 N CB 1.937 40.232 38.487 -0.319 0.000 1.172 554 N HN 0.065 nan 8.380 nan 0.000 0.499 555 V N 2.469 122.435 119.914 0.087 0.000 3.330 555 V HA -0.043 4.075 4.120 -0.002 0.000 0.273 555 V C 0.068 176.219 176.094 0.096 0.000 1.179 555 V CA 1.571 63.955 62.300 0.141 0.000 1.174 555 V CB -0.490 31.399 31.823 0.110 0.000 0.794 555 V HN 0.755 nan 8.190 nan 0.000 0.527 556 D N -1.116 119.302 120.400 0.031 0.000 2.602 556 D HA 0.110 4.748 4.640 -0.002 0.000 0.284 556 D C 1.580 177.892 176.300 0.020 0.000 1.065 556 D CA 0.574 54.577 54.000 0.004 0.000 0.923 556 D CB 0.370 41.149 40.800 -0.035 0.000 1.373 556 D HN 0.444 nan 8.370 nan 0.000 0.492 557 L N 1.349 122.526 121.223 -0.077 0.000 1.973 557 L HA -0.093 4.246 4.340 -0.002 0.000 0.208 557 L C 1.931 178.794 176.870 -0.012 0.000 1.073 557 L CA 2.090 56.842 54.840 -0.147 0.000 0.746 557 L CB -0.706 41.095 42.059 -0.430 0.000 0.891 557 L HN 0.122 nan 8.230 nan 0.000 0.433 558 H N -3.291 115.852 119.070 0.122 0.000 2.547 558 H HA -0.093 4.462 4.556 -0.002 0.000 0.272 558 H C 1.502 176.949 175.328 0.198 0.000 0.989 558 H CA 0.615 56.752 56.048 0.149 0.000 1.214 558 H CB 0.023 29.862 29.762 0.127 0.000 1.389 558 H HN 0.368 nan 8.280 nan 0.000 0.577 559 Y N 2.369 122.774 120.300 0.175 0.000 2.009 559 Y HA -0.346 4.202 4.550 -0.002 0.000 0.260 559 Y C 1.881 177.859 175.900 0.131 0.000 1.118 559 Y CA 2.043 60.220 58.100 0.127 0.000 1.087 559 Y CB -0.482 38.023 38.460 0.076 0.000 0.970 559 Y HN 0.069 nan 8.280 nan 0.000 0.481 560 D N -1.071 119.533 120.400 0.339 0.000 2.263 560 D HA -0.305 4.333 4.640 -0.002 0.000 0.193 560 D C 1.845 178.204 176.300 0.099 0.000 1.013 560 D CA 1.975 56.090 54.000 0.193 0.000 0.892 560 D CB -0.698 40.231 40.800 0.216 0.000 0.909 560 D HN 0.560 nan 8.370 nan 0.000 0.449 561 Y N 0.813 121.117 120.300 0.006 0.000 2.163 561 Y HA -0.111 4.438 4.550 -0.002 0.000 0.288 561 Y C 2.195 178.052 175.900 -0.071 0.000 1.136 561 Y CA 1.514 59.608 58.100 -0.011 0.000 1.147 561 Y CB -0.701 37.772 38.460 0.020 0.000 0.987 561 Y HN -0.030 nan 8.280 nan 0.000 0.509 562 A N 1.092 123.810 122.820 -0.170 0.000 1.865 562 A HA -0.209 4.109 4.320 -0.002 0.000 0.217 562 A C 2.439 179.804 177.584 -0.365 0.000 1.191 562 A CA 1.822 53.667 52.037 -0.320 0.000 0.623 562 A CB -0.817 18.028 19.000 -0.258 0.000 0.826 562 A HN 0.412 nan 8.150 nan 0.000 0.444 563 R N -0.115 120.096 120.500 -0.481 0.000 2.091 563 R HA -0.198 4.141 4.340 -0.002 0.000 0.238 563 R C 2.399 178.589 176.300 -0.184 0.000 1.136 563 R CA 2.075 57.959 56.100 -0.360 0.000 0.959 563 R CB -0.673 29.427 30.300 -0.333 0.000 0.856 563 R HN 0.825 nan 8.270 nan 0.000 0.437 564 Q N 0.321 120.029 119.800 -0.153 0.000 2.002 564 Q HA -0.217 4.122 4.340 -0.002 0.000 0.204 564 Q C 2.251 178.167 176.000 -0.140 0.000 0.988 564 Q CA 2.108 57.853 55.803 -0.097 0.000 0.843 564 Q CB -0.343 28.369 28.738 -0.042 0.000 0.908 564 Q HN 0.289 nan 8.270 nan 0.000 0.420 565 L N 1.199 122.267 121.223 -0.258 0.000 1.997 565 L HA -0.299 4.040 4.340 -0.002 0.000 0.216 565 L C 2.594 179.390 176.870 -0.123 0.000 1.074 565 L CA 2.556 57.259 54.840 -0.228 0.000 0.763 565 L CB -0.936 40.915 42.059 -0.347 0.000 0.890 565 L HN 0.450 nan 8.230 nan 0.000 0.434 566 Q N -0.647 119.074 119.800 -0.133 0.000 1.967 566 Q HA -0.314 4.025 4.340 -0.002 0.000 0.210 566 Q C 1.953 177.919 176.000 -0.056 0.000 1.005 566 Q CA 2.563 58.317 55.803 -0.081 0.000 0.862 566 Q CB -0.333 28.350 28.738 -0.092 0.000 0.939 566 Q HN 0.615 nan 8.270 nan 0.000 0.417 567 D N 0.067 120.433 120.400 -0.057 0.000 2.172 567 D HA -0.198 4.441 4.640 -0.002 0.000 0.196 567 D C 1.700 177.982 176.300 -0.030 0.000 0.999 567 D CA 1.459 55.439 54.000 -0.033 0.000 0.856 567 D CB -0.176 40.609 40.800 -0.024 0.000 0.934 567 D HN 0.392 nan 8.370 nan 0.000 0.453 568 E N -0.290 119.887 120.200 -0.038 0.000 2.007 568 E HA -0.132 4.217 4.350 -0.002 0.000 0.194 568 E C 2.321 178.899 176.600 -0.035 0.000 0.999 568 E CA 0.642 57.025 56.400 -0.030 0.000 0.811 568 E CB -0.099 29.583 29.700 -0.029 0.000 0.762 568 E HN 0.171 nan 8.360 nan 0.000 0.450 569 L N 0.890 122.089 121.223 -0.041 0.000 1.990 569 L HA -0.279 4.060 4.340 -0.002 0.000 0.213 569 L C 2.622 179.466 176.870 -0.044 0.000 1.072 569 L CA 1.785 56.594 54.840 -0.051 0.000 0.755 569 L CB -0.539 41.501 42.059 -0.033 0.000 0.889 569 L HN 0.091 nan 8.230 nan 0.000 0.432 570 K N 0.235 120.617 120.400 -0.030 0.000 2.286 570 K HA -0.198 4.121 4.320 -0.002 0.000 0.203 570 K C 1.946 178.532 176.600 -0.022 0.000 1.045 570 K CA 1.599 57.873 56.287 -0.022 0.000 0.935 570 K CB -0.075 32.416 32.500 -0.015 0.000 0.737 570 K HN 0.455 nan 8.250 nan 0.000 0.460 571 S N -0.765 114.920 115.700 -0.025 0.000 2.593 571 S HA 0.029 4.497 4.470 -0.002 0.000 0.217 571 S C 1.059 175.642 174.600 -0.029 0.000 0.966 571 S CA -0.068 58.119 58.200 -0.021 0.000 0.914 571 S CB 0.398 63.588 63.200 -0.016 0.000 0.776 571 S HN 0.352 nan 8.310 nan 0.000 0.523 572 Q N 0.343 120.118 119.800 -0.041 0.000 2.141 572 Q HA 0.372 4.711 4.340 -0.002 0.000 0.248 572 Q C 0.610 176.575 176.000 -0.058 0.000 0.834 572 Q CA 0.056 55.827 55.803 -0.055 0.000 1.096 572 Q CB 0.641 29.334 28.738 -0.076 0.000 1.189 572 Q HN 0.688 nan 8.270 nan 0.000 0.471 573 G N 0.271 109.047 108.800 -0.040 0.000 2.153 573 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.252 573 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.252 573 G C 0.160 175.043 174.900 -0.028 0.000 0.994 573 G CA 0.282 45.364 45.100 -0.030 0.000 0.698 573 G HN 0.265 nan 8.290 nan 0.000 0.521 574 V N 0.188 120.080 119.914 -0.036 0.000 2.546 574 V HA 0.430 4.549 4.120 -0.002 0.000 0.284 574 V C 1.093 177.183 176.094 -0.006 0.000 1.050 574 V CA -0.401 61.881 62.300 -0.029 0.000 0.981 574 V CB 1.458 33.250 31.823 -0.053 0.000 0.990 574 V HN 0.337 nan 8.190 nan 0.000 0.474 575 R N 2.830 123.336 120.500 0.010 0.000 2.287 575 R HA 0.610 4.948 4.340 -0.002 0.000 0.327 575 R C -0.839 175.482 176.300 0.035 0.000 1.109 575 R CA -0.073 56.038 56.100 0.018 0.000 1.013 575 R CB 1.308 31.618 30.300 0.018 0.000 1.126 575 R HN 0.563 nan 8.270 nan 0.000 0.503 576 V N 1.794 121.725 119.914 0.028 0.000 3.049 576 V HA 0.741 4.860 4.120 -0.002 0.000 0.309 576 V C -1.345 174.763 176.094 0.024 0.000 1.148 576 V CA -0.385 61.938 62.300 0.037 0.000 0.990 576 V CB 2.626 34.469 31.823 0.034 0.000 1.039 576 V HN 0.811 nan 8.190 nan 0.000 0.430 577 S N 4.675 120.391 115.700 0.027 0.000 2.570 577 S HA 0.742 5.211 4.470 -0.002 0.000 0.270 577 S C -1.283 173.328 174.600 0.019 0.000 1.149 577 S CA -0.738 57.476 58.200 0.023 0.000 0.837 577 S CB 1.587 64.808 63.200 0.035 0.000 1.124 577 S HN 0.716 nan 8.310 nan 0.000 0.465 578 I N 2.369 122.952 120.570 0.021 0.000 2.304 578 I HA 0.279 4.448 4.170 -0.002 0.000 0.291 578 I C -0.097 176.069 176.117 0.081 0.000 1.018 578 I CA -0.014 61.300 61.300 0.023 0.000 1.260 578 I CB 0.954 38.938 38.000 -0.026 0.000 1.390 578 I HN 0.700 nan 8.210 nan 0.000 0.475 579 D N 6.475 126.921 120.400 0.076 0.000 2.470 579 D HA 0.012 4.651 4.640 -0.002 0.000 0.226 579 D C 0.028 176.402 176.300 0.123 0.000 1.196 579 D CA -0.213 53.842 54.000 0.091 0.000 0.979 579 D CB 0.283 41.127 40.800 0.073 0.000 1.059 579 D HN 0.479 nan 8.370 nan 0.000 0.515 580 D N 2.168 122.659 120.400 0.151 0.000 2.722 580 D HA 0.054 4.693 4.640 -0.002 0.000 0.239 580 D C 0.151 176.517 176.300 0.109 0.000 1.249 580 D CA -0.477 53.626 54.000 0.172 0.000 0.830 580 D CB -0.187 40.771 40.800 0.265 0.000 1.025 580 D HN 0.193 nan 8.370 nan 0.000 0.486 581 R N 0.160 120.722 120.500 0.103 0.000 2.531 581 R HA 0.222 4.561 4.340 -0.002 0.000 0.273 581 R C 0.588 176.931 176.300 0.070 0.000 1.070 581 R CA -0.475 55.674 56.100 0.083 0.000 1.112 581 R CB 0.609 30.972 30.300 0.105 0.000 1.049 581 R HN 0.140 nan 8.270 nan 0.000 0.508 582 N N 1.979 120.703 118.700 0.040 0.000 3.103 582 N HA -0.037 4.702 4.740 -0.002 0.000 0.305 582 N C -0.977 174.533 175.510 0.001 0.000 1.232 582 N CA 0.245 53.306 53.050 0.018 0.000 1.190 582 N CB 0.324 38.810 38.487 -0.001 0.000 1.461 582 N HN 0.448 nan 8.380 nan 0.000 0.538 583 E N 0.582 120.799 120.200 0.028 0.000 2.433 583 E HA 0.214 4.563 4.350 -0.002 0.000 0.278 583 E C -1.011 175.624 176.600 0.059 0.000 0.976 583 E CA -0.916 55.477 56.400 -0.012 0.000 0.793 583 E CB 1.781 31.439 29.700 -0.071 0.000 1.311 583 E HN 0.191 nan 8.360 nan 0.000 0.460 584 K N 1.852 122.274 120.400 0.038 0.000 2.382 584 K HA -0.003 4.316 4.320 -0.002 0.000 0.286 584 K C 0.959 177.648 176.600 0.148 0.000 1.062 584 K CA -0.016 56.321 56.287 0.084 0.000 1.000 584 K CB 0.308 32.840 32.500 0.054 0.000 0.954 584 K HN 0.506 nan 8.250 nan 0.000 0.470 585 M N 3.952 123.618 119.600 0.111 0.000 2.622 585 M HA -0.330 4.149 4.480 -0.002 0.000 0.257 585 M C 1.828 178.188 176.300 0.101 0.000 1.047 585 M CA 2.785 58.145 55.300 0.100 0.000 1.054 585 M CB -1.196 31.449 32.600 0.074 0.000 1.295 585 M HN 0.852 nan 8.290 nan 0.000 0.462 586 G N -1.855 107.000 108.800 0.092 0.000 2.556 586 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.220 586 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.220 586 G C 1.383 176.345 174.900 0.103 0.000 1.156 586 G CA 1.515 46.663 45.100 0.080 0.000 0.766 586 G HN 0.725 nan 8.290 nan 0.000 0.583 587 Y N 1.480 121.789 120.300 0.016 0.000 2.070 587 Y HA -0.110 4.439 4.550 -0.002 0.000 0.280 587 Y C 2.905 178.818 175.900 0.021 0.000 1.148 587 Y CA 2.343 60.453 58.100 0.016 0.000 1.125 587 Y CB -0.297 38.172 38.460 0.016 0.000 0.975 587 Y HN 0.152 nan 8.280 nan 0.000 0.492 588 K N 0.014 120.472 120.400 0.096 0.000 2.113 588 K HA -0.181 4.138 4.320 -0.002 0.000 0.208 588 K C 1.945 178.520 176.600 -0.043 0.000 1.047 588 K CA 1.911 58.203 56.287 0.008 0.000 0.928 588 K CB -0.301 32.259 32.500 0.099 0.000 0.716 588 K HN 0.426 nan 8.250 nan 0.000 0.446 589 I N 0.060 120.622 120.570 -0.013 0.000 3.251 589 I HA -0.130 4.039 4.170 -0.002 0.000 0.277 589 I C 2.353 178.446 176.117 -0.040 0.000 1.268 589 I CA 0.541 61.832 61.300 -0.015 0.000 1.449 589 I CB 0.001 38.004 38.000 0.004 0.000 1.083 589 I HN 0.133 nan 8.210 nan 0.000 0.464 590 R N 0.866 121.316 120.500 -0.083 0.000 2.225 590 R HA -0.029 4.310 4.340 -0.002 0.000 0.194 590 R C 2.043 178.259 176.300 -0.139 0.000 0.957 590 R CA 0.366 56.413 56.100 -0.089 0.000 1.042 590 R CB 0.210 30.466 30.300 -0.073 0.000 1.004 590 R HN 0.218 nan 8.270 nan 0.000 0.509 591 E N 0.104 120.151 120.200 -0.255 0.000 2.204 591 E HA -0.142 4.207 4.350 -0.002 0.000 0.194 591 E C 1.426 177.952 176.600 -0.123 0.000 0.989 591 E CA 1.173 57.413 56.400 -0.268 0.000 0.824 591 E CB 0.071 29.519 29.700 -0.420 0.000 0.756 591 E HN 0.449 nan 8.360 nan 0.000 0.477 592 A N 0.511 123.284 122.820 -0.079 0.000 1.975 592 A HA -0.081 4.238 4.320 -0.002 0.000 0.215 592 A C 2.004 179.606 177.584 0.030 0.000 1.170 592 A CA 0.605 52.630 52.037 -0.019 0.000 0.656 592 A CB -0.100 18.900 19.000 0.000 0.000 0.821 592 A HN 0.212 nan 8.150 nan 0.000 0.449 593 Q N -0.934 118.893 119.800 0.045 0.000 2.369 593 Q HA -0.032 4.307 4.340 -0.002 0.000 0.206 593 Q C 1.933 178.030 176.000 0.162 0.000 0.963 593 Q CA 0.903 56.793 55.803 0.145 0.000 0.894 593 Q CB -0.229 28.540 28.738 0.051 0.000 0.965 593 Q HN 0.761 nan 8.270 nan 0.000 0.475 594 M N 0.492 120.118 119.600 0.045 0.000 2.193 594 M HA -0.124 4.355 4.480 -0.002 0.000 0.265 594 M C 1.202 177.500 176.300 -0.004 0.000 1.071 594 M CA 1.422 56.732 55.300 0.017 0.000 1.140 594 M CB 0.161 32.742 32.600 -0.031 0.000 1.369 594 M HN 0.112 nan 8.290 nan 0.000 0.423 595 Q N 0.656 120.444 119.800 -0.020 0.000 2.466 595 Q HA -0.009 4.330 4.340 -0.002 0.000 0.210 595 Q C -0.383 175.570 176.000 -0.078 0.000 0.961 595 Q CA 0.150 55.930 55.803 -0.037 0.000 0.953 595 Q CB -0.153 28.569 28.738 -0.026 0.000 1.011 595 Q HN 0.408 nan 8.270 nan 0.000 0.516 596 K N 0.869 121.194 120.400 -0.125 0.000 3.177 596 K HA -0.204 4.115 4.320 -0.002 0.000 0.266 596 K C -0.598 175.812 176.600 -0.316 0.000 0.937 596 K CA 0.410 56.427 56.287 -0.450 0.000 0.702 596 K CB -1.802 30.291 32.500 -0.680 0.000 1.365 596 K HN 0.403 nan 8.250 nan 0.000 0.466 597 I N 0.506 121.022 120.570 -0.090 0.000 2.533 597 I HA -0.016 4.152 4.170 -0.002 0.000 0.284 597 I C -0.912 175.194 176.117 -0.018 0.000 1.109 597 I CA -2.079 59.207 61.300 -0.023 0.000 1.412 597 I CB 0.656 38.674 38.000 0.030 0.000 1.396 597 I HN -0.040 nan 8.210 nan 0.000 0.543 598 P HA -0.174 nan 4.420 nan 0.000 0.216 598 P C -0.705 176.344 177.300 -0.417 0.000 1.157 598 P CA 1.676 64.686 63.100 -0.150 0.000 0.880 598 P CB 0.072 31.788 31.700 0.026 0.000 0.791 599 Y N -1.903 118.468 120.300 0.119 0.000 2.346 599 Y HA 0.393 4.942 4.550 -0.002 0.000 0.332 599 Y C 0.286 176.223 175.900 0.061 0.000 0.985 599 Y CA -0.808 57.360 58.100 0.114 0.000 1.112 599 Y CB 1.670 40.249 38.460 0.199 0.000 1.170 599 Y HN -0.230 nan 8.280 nan 0.000 0.447 600 Q N 4.709 124.588 119.800 0.131 0.000 2.425 600 Q HA 0.436 4.774 4.340 -0.002 0.000 0.254 600 Q C -1.478 174.532 176.000 0.017 0.000 1.032 600 Q CA -0.593 55.248 55.803 0.064 0.000 0.798 600 Q CB 0.629 29.388 28.738 0.035 0.000 1.210 600 Q HN 0.564 nan 8.270 nan 0.000 0.491 601 I N 4.832 125.391 120.570 -0.019 0.000 2.304 601 I HA 0.241 4.410 4.170 -0.002 0.000 0.291 601 I C -0.162 175.912 176.117 -0.071 0.000 1.018 601 I CA -0.575 60.655 61.300 -0.116 0.000 1.260 601 I CB 1.201 39.079 38.000 -0.203 0.000 1.390 601 I HN 0.380 nan 8.210 nan 0.000 0.475 602 V N 7.668 127.543 119.914 -0.065 0.000 2.407 602 V HA 0.351 4.470 4.120 -0.002 0.000 0.278 602 V C 0.184 176.252 176.094 -0.043 0.000 1.037 602 V CA -0.637 61.642 62.300 -0.035 0.000 0.900 602 V CB 2.245 34.055 31.823 -0.022 0.000 0.983 602 V HN 0.424 nan 8.190 nan 0.000 0.459 603 V N 5.133 125.031 119.914 -0.028 0.000 2.349 603 V HA 0.717 4.836 4.120 -0.002 0.000 0.284 603 V C 0.662 176.641 176.094 -0.192 0.000 1.014 603 V CA 0.345 62.629 62.300 -0.027 0.000 0.826 603 V CB 1.274 33.133 31.823 0.061 0.000 1.009 603 V HN 0.988 nan 8.190 nan 0.000 0.431 604 G N 3.086 111.695 108.800 -0.318 0.000 3.134 604 G HA2 0.231 4.190 3.960 -0.002 0.000 0.158 604 G HA3 0.231 4.190 3.960 -0.002 0.000 0.158 604 G C 0.220 174.621 174.900 -0.832 0.000 1.334 604 G CA 0.232 44.916 45.100 -0.693 0.000 1.001 604 G HN 0.564 nan 8.290 nan 0.000 0.600 605 D N -1.303 118.892 120.400 -0.343 0.000 2.338 605 D HA 0.062 4.701 4.640 -0.002 0.000 0.224 605 D C 2.159 178.398 176.300 -0.103 0.000 0.967 605 D CA 0.369 54.311 54.000 -0.096 0.000 0.896 605 D CB 0.218 41.071 40.800 0.089 0.000 1.028 605 D HN 0.294 nan 8.370 nan 0.000 0.493 606 K N 0.841 121.192 120.400 -0.082 0.000 2.089 606 K HA -0.258 4.061 4.320 -0.002 0.000 0.210 606 K C 1.321 177.867 176.600 -0.091 0.000 1.048 606 K CA 1.417 57.665 56.287 -0.064 0.000 0.926 606 K CB 0.116 32.590 32.500 -0.045 0.000 0.714 606 K HN 0.012 nan 8.250 nan 0.000 0.448 607 E N 0.343 120.474 120.200 -0.116 0.000 2.001 607 E HA -0.125 4.224 4.350 -0.002 0.000 0.193 607 E C 2.022 178.436 176.600 -0.310 0.000 0.994 607 E CA 1.450 57.787 56.400 -0.104 0.000 0.815 607 E CB -0.392 29.302 29.700 -0.009 0.000 0.770 607 E HN 0.064 nan 8.360 nan 0.000 0.453 608 V N 1.480 121.103 119.914 -0.486 0.000 2.370 608 V HA -0.322 3.797 4.120 -0.002 0.000 0.252 608 V C 2.303 178.063 176.094 -0.556 0.000 1.068 608 V CA 2.256 64.004 62.300 -0.921 0.000 1.061 608 V CB -0.542 31.030 31.823 -0.419 0.000 0.656 608 V HN 0.308 nan 8.190 nan 0.000 0.455 609 E N 0.641 120.674 120.200 -0.279 0.000 2.005 609 E HA -0.213 4.136 4.350 -0.002 0.000 0.191 609 E C 1.910 178.428 176.600 -0.136 0.000 0.987 609 E CA 1.505 57.809 56.400 -0.160 0.000 0.814 609 E CB -0.142 29.504 29.700 -0.090 0.000 0.772 609 E HN 0.623 nan 8.360 nan 0.000 0.453 610 N N 0.968 119.603 118.700 -0.108 0.000 2.573 610 N HA -0.058 4.680 4.740 -0.002 0.000 0.187 610 N C -0.490 174.992 175.510 -0.047 0.000 1.107 610 N CA 0.609 53.622 53.050 -0.062 0.000 0.918 610 N CB -0.138 38.325 38.487 -0.038 0.000 0.966 610 N HN 0.276 nan 8.380 nan 0.000 0.448 611 N N -0.142 118.499 118.700 -0.097 0.000 2.756 611 N HA -0.206 4.533 4.740 -0.002 0.000 0.248 611 N C -0.957 174.629 175.510 0.127 0.000 1.062 611 N CA 0.242 53.300 53.050 0.013 0.000 0.696 611 N CB -0.542 37.970 38.487 0.041 0.000 0.946 611 N HN 0.514 nan 8.380 nan 0.000 0.548 612 Q N -1.906 117.974 119.800 0.133 0.000 2.991 612 Q HA 0.809 5.148 4.340 -0.002 0.000 0.322 612 Q C -0.660 175.431 176.000 0.152 0.000 0.978 612 Q CA -0.953 54.926 55.803 0.128 0.000 0.787 612 Q CB 1.948 30.720 28.738 0.057 0.000 1.492 612 Q HN 0.071 nan 8.270 nan 0.000 0.498 613 V N -1.817 118.127 119.914 0.051 0.000 2.888 613 V HA 0.551 4.670 4.120 -0.002 0.000 0.309 613 V C -1.261 174.781 176.094 -0.086 0.000 1.114 613 V CA -0.911 61.370 62.300 -0.032 0.000 0.940 613 V CB 1.851 33.576 31.823 -0.164 0.000 1.021 613 V HN 0.915 nan 8.190 nan 0.000 0.426 614 N N 2.917 121.563 118.700 -0.090 0.000 2.437 614 N HA 0.394 5.133 4.740 -0.002 0.000 0.243 614 N C -0.905 174.532 175.510 -0.122 0.000 1.041 614 N CA -0.040 52.962 53.050 -0.080 0.000 0.940 614 N CB 1.606 40.061 38.487 -0.053 0.000 1.133 614 N HN 0.677 nan 8.380 nan 0.000 0.506 615 V N 3.898 123.738 119.914 -0.123 0.000 2.612 615 V HA 0.502 4.621 4.120 -0.002 0.000 0.301 615 V C 0.407 176.493 176.094 -0.013 0.000 1.046 615 V CA -0.741 61.488 62.300 -0.119 0.000 0.946 615 V CB 1.553 33.294 31.823 -0.137 0.000 1.003 615 V HN 0.610 nan 8.190 nan 0.000 0.459 616 R N 2.819 123.333 120.500 0.024 0.000 2.510 616 R HA 0.402 4.741 4.340 -0.002 0.000 0.294 616 R C -0.564 175.740 176.300 0.007 0.000 1.056 616 R CA -0.500 55.608 56.100 0.015 0.000 0.918 616 R CB 1.611 31.905 30.300 -0.010 0.000 1.187 616 R HN 0.851 nan 8.270 nan 0.000 0.437 617 Q N 1.635 121.417 119.800 -0.030 0.000 2.500 617 Q HA -0.010 4.329 4.340 -0.002 0.000 0.215 617 Q C 0.247 176.184 176.000 -0.105 0.000 1.062 617 Q CA -0.111 55.588 55.803 -0.173 0.000 0.996 617 Q CB 0.475 29.142 28.738 -0.118 0.000 1.239 617 Q HN 0.605 nan 8.270 nan 0.000 0.578 618 Y N 0.460 120.626 120.300 -0.223 0.000 2.373 618 Y HA 0.027 4.576 4.550 -0.002 0.000 0.293 618 Y C 1.788 177.629 175.900 -0.098 0.000 1.129 618 Y CA 1.209 59.225 58.100 -0.139 0.000 1.226 618 Y CB -0.536 37.845 38.460 -0.132 0.000 1.000 618 Y HN 0.842 nan 8.280 nan 0.000 0.549 619 G N 0.455 109.173 108.800 -0.137 0.000 3.484 619 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.219 619 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.219 619 G C 0.961 175.725 174.900 -0.227 0.000 1.084 619 G CA 1.424 46.430 45.100 -0.155 0.000 0.668 619 G HN 0.981 nan 8.290 nan 0.000 0.678 620 S N -3.136 112.357 115.700 -0.345 0.000 3.698 620 S HA -0.263 4.205 4.470 -0.002 0.000 0.338 620 S C 0.369 174.876 174.600 -0.156 0.000 1.089 620 S CA 1.874 59.903 58.200 -0.285 0.000 0.991 620 S CB -2.103 60.922 63.200 -0.292 0.000 0.909 620 S HN 0.898 nan 8.310 nan 0.000 0.485 621 Q N 0.760 120.489 119.800 -0.117 0.000 3.083 621 Q HA 0.451 4.790 4.340 -0.002 0.000 0.205 621 Q C -1.169 174.798 176.000 -0.055 0.000 1.165 621 Q CA -0.456 55.304 55.803 -0.073 0.000 0.365 621 Q CB 0.765 29.473 28.738 -0.051 0.000 5.649 621 Q HN 0.643 nan 8.270 nan 0.000 0.298 622 D N 1.727 122.105 120.400 -0.035 0.000 2.342 622 D HA 0.150 4.789 4.640 -0.002 0.000 0.243 622 D C -0.770 175.521 176.300 -0.016 0.000 1.019 622 D CA -0.506 53.480 54.000 -0.024 0.000 0.864 622 D CB 1.448 42.238 40.800 -0.017 0.000 1.315 622 D HN 0.401 nan 8.370 nan 0.000 0.468 623 Q N 0.363 120.154 119.800 -0.014 0.000 2.340 623 Q HA 0.396 4.735 4.340 -0.002 0.000 0.249 623 Q C -0.738 175.260 176.000 -0.004 0.000 0.957 623 Q CA -0.122 55.675 55.803 -0.010 0.000 0.882 623 Q CB 1.406 30.134 28.738 -0.017 0.000 1.235 623 Q HN 0.313 nan 8.270 nan 0.000 0.439 624 E N 0.940 121.141 120.200 0.002 0.000 2.275 624 E HA 0.304 4.653 4.350 -0.002 0.000 0.270 624 E C -1.260 175.343 176.600 0.005 0.000 0.882 624 E CA -0.443 55.962 56.400 0.008 0.000 0.758 624 E CB 2.030 31.743 29.700 0.021 0.000 1.195 624 E HN 0.608 nan 8.360 nan 0.000 0.419 625 T N 1.501 116.056 114.554 0.002 0.000 2.855 625 T HA 0.400 4.749 4.350 -0.002 0.000 0.314 625 T C -0.465 174.245 174.700 0.017 0.000 1.077 625 T CA -0.068 62.032 62.100 0.000 0.000 1.095 625 T CB 0.361 69.230 68.868 0.001 0.000 0.987 625 T HN 0.246 nan 8.240 nan 0.000 0.546 626 V N 1.282 121.207 119.914 0.019 0.000 3.120 626 V HA 0.362 4.481 4.120 -0.002 0.000 0.303 626 V C -0.516 175.619 176.094 0.069 0.000 1.238 626 V CA -1.190 61.144 62.300 0.056 0.000 1.008 626 V CB 2.286 34.159 31.823 0.083 0.000 1.064 626 V HN 0.827 nan 8.190 nan 0.000 0.434 627 E N 2.173 122.428 120.200 0.092 0.000 2.344 627 E HA 0.212 4.560 4.350 -0.002 0.000 0.270 627 E C 0.988 177.674 176.600 0.143 0.000 1.021 627 E CA 0.201 56.659 56.400 0.096 0.000 0.887 627 E CB 1.146 30.893 29.700 0.078 0.000 0.997 627 E HN 0.593 nan 8.360 nan 0.000 0.429 628 K N 3.410 123.896 120.400 0.144 0.000 2.052 628 K HA -0.296 4.022 4.320 -0.002 0.000 0.215 628 K C 1.002 177.711 176.600 0.182 0.000 1.053 628 K CA 2.236 58.629 56.287 0.177 0.000 0.934 628 K CB -0.104 32.495 32.500 0.164 0.000 0.717 628 K HN 0.645 nan 8.250 nan 0.000 0.450 629 D N 0.398 120.876 120.400 0.130 0.000 2.126 629 D HA -0.187 4.452 4.640 -0.002 0.000 0.190 629 D C 1.859 178.238 176.300 0.131 0.000 1.001 629 D CA 1.471 55.534 54.000 0.106 0.000 0.841 629 D CB -0.108 40.734 40.800 0.069 0.000 0.949 629 D HN 0.325 nan 8.370 nan 0.000 0.446 630 E N -0.758 119.525 120.200 0.137 0.000 2.012 630 E HA -0.195 4.154 4.350 -0.002 0.000 0.197 630 E C 2.094 178.815 176.600 0.201 0.000 1.007 630 E CA 0.775 57.275 56.400 0.166 0.000 0.816 630 E CB -0.383 29.402 29.700 0.141 0.000 0.762 630 E HN 0.271 nan 8.360 nan 0.000 0.451 631 F N 1.979 121.964 119.950 0.059 0.000 2.085 631 F HA -0.291 4.235 4.527 -0.002 0.000 0.299 631 F C 2.070 177.842 175.800 -0.047 0.000 1.096 631 F CA 1.632 59.627 58.000 -0.008 0.000 1.227 631 F CB -0.399 38.580 39.000 -0.036 0.000 0.983 631 F HN -0.033 nan 8.300 nan 0.000 0.482 632 I N -0.595 119.780 120.570 -0.324 0.000 2.163 632 I HA -0.358 3.811 4.170 -0.002 0.000 0.243 632 I C 2.535 178.452 176.117 -0.333 0.000 1.085 632 I CA 1.741 62.783 61.300 -0.430 0.000 1.347 632 I CB -1.017 36.903 38.000 -0.134 0.000 1.044 632 I HN 0.516 nan 8.210 nan 0.000 0.408 633 W N 3.123 124.288 121.300 -0.226 0.000 2.298 633 W HA -0.310 4.349 4.660 -0.002 0.000 0.328 633 W C 2.378 178.776 176.519 -0.202 0.000 1.259 633 W CA 2.089 59.335 57.345 -0.165 0.000 1.251 633 W CB -0.618 28.784 29.460 -0.097 0.000 1.161 633 W HN 0.235 nan 8.180 nan 0.000 0.466 634 N N 1.192 119.740 118.700 -0.253 0.000 2.036 634 N HA -0.247 4.491 4.740 -0.002 0.000 0.195 634 N C 1.711 176.951 175.510 -0.450 0.000 1.037 634 N CA 2.132 55.006 53.050 -0.294 0.000 0.855 634 N CB -1.263 37.188 38.487 -0.060 0.000 1.033 634 N HN 0.243 nan 8.380 nan 0.000 0.423 635 L N 1.357 122.195 121.223 -0.642 0.000 1.943 635 L HA -0.096 4.243 4.340 -0.002 0.000 0.215 635 L C 2.183 178.770 176.870 -0.471 0.000 1.074 635 L CA 1.361 55.804 54.840 -0.661 0.000 0.759 635 L CB -0.885 40.550 42.059 -1.041 0.000 0.888 635 L HN -0.081 nan 8.230 nan 0.000 0.433 636 V N 0.445 120.068 119.914 -0.485 0.000 2.636 636 V HA -0.338 3.781 4.120 -0.002 0.000 0.258 636 V C 2.335 178.153 176.094 -0.459 0.000 1.092 636 V CA 2.051 64.111 62.300 -0.400 0.000 1.110 636 V CB -0.878 30.722 31.823 -0.372 0.000 0.685 636 V HN 0.659 nan 8.190 nan 0.000 0.481 637 D N -0.292 119.747 120.400 -0.603 0.000 2.202 637 D HA -0.150 4.489 4.640 -0.002 0.000 0.214 637 D C 2.194 178.286 176.300 -0.346 0.000 0.967 637 D CA 1.237 54.882 54.000 -0.591 0.000 0.871 637 D CB 0.083 40.395 40.800 -0.812 0.000 1.020 637 D HN 0.608 nan 8.370 nan 0.000 0.474 638 E N 0.252 120.288 120.200 -0.273 0.000 2.171 638 E HA -0.184 4.165 4.350 -0.002 0.000 0.197 638 E C 2.305 178.828 176.600 -0.128 0.000 0.997 638 E CA 0.930 57.242 56.400 -0.147 0.000 0.810 638 E CB -0.086 29.579 29.700 -0.057 0.000 0.738 638 E HN 0.357 nan 8.360 nan 0.000 0.467 639 I N 0.317 120.801 120.570 -0.144 0.000 2.130 639 I HA -0.220 3.949 4.170 -0.002 0.000 0.234 639 I C 2.905 178.919 176.117 -0.172 0.000 1.067 639 I CA 1.096 62.343 61.300 -0.087 0.000 1.339 639 I CB -0.469 37.487 38.000 -0.074 0.000 1.073 639 I HN 0.101 nan 8.210 nan 0.000 0.405 640 R N 0.947 121.326 120.500 -0.203 0.000 2.165 640 R HA -0.246 4.092 4.340 -0.002 0.000 0.254 640 R C 1.802 177.950 176.300 -0.254 0.000 1.153 640 R CA 1.942 57.914 56.100 -0.213 0.000 0.971 640 R CB -0.351 29.810 30.300 -0.232 0.000 0.878 640 R HN 0.220 nan 8.270 nan 0.000 0.449 641 L N 1.463 122.529 121.223 -0.262 0.000 2.627 641 L HA 0.103 4.442 4.340 -0.002 0.000 0.232 641 L C 0.199 176.844 176.870 -0.375 0.000 1.150 641 L CA 0.809 55.486 54.840 -0.273 0.000 0.917 641 L CB -0.215 41.717 42.059 -0.211 0.000 1.104 641 L HN 0.118 nan 8.230 nan 0.000 0.445 642 K N -0.080 120.000 120.400 -0.534 0.000 3.010 642 K HA -0.275 4.044 4.320 -0.002 0.000 0.255 642 K C 0.537 176.856 176.600 -0.468 0.000 0.929 642 K CA 0.795 56.536 56.287 -0.908 0.000 0.687 642 K CB -1.197 30.393 32.500 -1.517 0.000 1.304 642 K HN 0.309 nan 8.250 nan 0.000 0.479 643 K N 0.944 121.193 120.400 -0.252 0.000 2.382 643 K HA 0.052 4.371 4.320 -0.002 0.000 0.275 643 K C 0.586 177.168 176.600 -0.029 0.000 1.009 643 K CA 0.148 56.318 56.287 -0.196 0.000 0.970 643 K CB 0.405 32.830 32.500 -0.125 0.000 0.934 643 K HN 0.383 nan 8.250 nan 0.000 0.479 644 H N 1.505 120.600 119.070 0.042 0.000 4.163 644 H HA 0.524 5.079 4.556 -0.002 0.000 0.404 644 H C -0.505 174.866 175.328 0.072 0.000 1.538 644 H CA -0.576 55.529 56.048 0.095 0.000 1.059 644 H CB 0.145 29.982 29.762 0.125 0.000 1.175 644 H HN 0.786 nan 8.280 nan 0.000 0.763 645 R N 0.000 120.833 120.500 0.556 0.000 2.786 645 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 645 R CA 0.000 56.288 56.100 0.313 0.000 0.921 645 R CB 0.000 30.478 30.300 0.296 0.000 0.687 645 R HN 0.000 nan 8.270 nan 0.000 0.535