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 1oyw_1_A DATA FIRST_RESID 2 DATA SEQUENCE AQAEVLNLES GAKQVLQETF GYQQFRPGQE EIIDTVLSGR DCLVVXPTGG DATA SEQUENCE GKSLCYQIPA LLLNGLTVVV SPLISLXKDQ VDQLQANGVA AACLNSTQTR DATA SEQUENCE EQQLEVXTGC RTGQIRLLYI APERLXLDNF LEHLAHWNPV LLAVDEAHCI DATA SEQUENCE SQWGHDFRPE YAALGQLRQR FPTLPFXALT ATADDTTRQD IVRLLGLNDP DATA SEQUENCE LIQISSFDRP NIRYXLXEKF KPLDQLXRYV QEQRGKSGII YCNSRAKVED DATA SEQUENCE TAARLQSKGI SAAAYHAGLE NNVRADVQEK FQRDDLQIVV ATVAFGXGIN DATA SEQUENCE KPNVRFVVHF DIPRNIESYY QETGRAGRDG LPAEAXLFYD PADXAWLRRC DATA SEQUENCE LEEKPQGQLQ DIERHKLNAX GAFAEAQTCR RLVLLNYFGE GRQEPCGNCD DATA SEQUENCE ICLDPPKQYD GSTDAQIALS TIGRVNQRFG XGYVVEVIRG ANNQRIRDYG DATA SEQUENCE HDKLKVYGXG RDKSHEHWVS VIRQLIHLGL VTQNIAQHSA LQLTEAARPV DATA SEQUENCE LRGESSLQLA VPRIV 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.597 177.584 0.022 0.000 1.274 2 A CA 0.000 52.047 52.037 0.017 0.000 0.836 2 A CB 0.000 19.012 19.000 0.021 0.000 0.831 3 Q N 1.115 120.927 119.800 0.020 0.000 2.245 3 Q HA 0.676 5.017 4.340 0.002 0.000 0.256 3 Q C 0.349 176.364 176.000 0.025 0.000 0.942 3 Q CA -0.425 55.391 55.803 0.021 0.000 0.896 3 Q CB 2.099 30.846 28.738 0.016 0.000 1.272 3 Q HN 1.333 nan 8.270 nan 0.000 0.442 4 A N 1.860 124.697 122.820 0.028 0.000 2.540 4 A HA -0.049 4.272 4.320 0.002 0.000 0.239 4 A C 0.397 177.997 177.584 0.027 0.000 1.061 4 A CA 0.199 52.255 52.037 0.032 0.000 0.758 4 A CB 0.158 19.177 19.000 0.031 0.000 0.991 4 A HN 0.902 nan 8.150 nan 0.000 0.502 5 E N 0.784 121.003 120.200 0.031 0.000 2.400 5 E HA 0.121 4.472 4.350 0.002 0.000 0.195 5 E C -0.444 176.170 176.600 0.023 0.000 1.012 5 E CA 0.370 56.784 56.400 0.023 0.000 0.875 5 E CB 0.383 30.096 29.700 0.021 0.000 0.859 5 E HN 0.472 nan 8.360 nan 0.000 0.498 6 V N 1.442 121.374 119.914 0.030 0.000 2.735 6 V HA 0.100 4.221 4.120 0.002 0.000 0.310 6 V C 0.839 176.950 176.094 0.028 0.000 1.061 6 V CA -0.446 61.872 62.300 0.030 0.000 0.913 6 V CB 2.254 34.100 31.823 0.039 0.000 1.005 6 V HN 0.093 nan 8.190 nan 0.000 0.428 7 L N 2.518 123.755 121.223 0.024 0.000 2.005 7 L HA 0.051 4.392 4.340 0.002 0.000 0.207 7 L C 1.308 178.193 176.870 0.024 0.000 1.072 7 L CA 1.456 56.309 54.840 0.021 0.000 0.744 7 L CB 0.111 42.181 42.059 0.018 0.000 0.895 7 L HN 0.808 nan 8.230 nan 0.000 0.433 8 N N 0.126 118.842 118.700 0.026 0.000 2.426 8 N HA 0.093 4.834 4.740 0.002 0.000 0.257 8 N C 0.817 176.348 175.510 0.036 0.000 1.002 8 N CA -0.173 52.894 53.050 0.028 0.000 0.942 8 N CB 1.498 40.001 38.487 0.027 0.000 1.112 8 N HN 0.243 nan 8.380 nan 0.000 0.499 9 L N 2.313 123.557 121.223 0.035 0.000 2.046 9 L HA -0.160 4.181 4.340 0.002 0.000 0.208 9 L C 2.269 179.167 176.870 0.048 0.000 1.077 9 L CA 1.099 55.964 54.840 0.041 0.000 0.747 9 L CB -0.323 41.757 42.059 0.034 0.000 0.896 9 L HN 0.578 nan 8.230 nan 0.000 0.432 10 E N 0.860 121.085 120.200 0.041 0.000 2.051 10 E HA -0.220 4.131 4.350 0.002 0.000 0.192 10 E C 2.237 178.876 176.600 0.066 0.000 0.991 10 E CA 2.014 58.441 56.400 0.045 0.000 0.799 10 E CB -0.190 29.530 29.700 0.034 0.000 0.748 10 E HN 0.419 nan 8.360 nan 0.000 0.449 11 S N -1.010 114.726 115.700 0.059 0.000 2.461 11 S HA 0.080 4.550 4.470 0.002 0.000 0.228 11 S C 2.204 176.850 174.600 0.077 0.000 1.005 11 S CA 0.645 58.884 58.200 0.066 0.000 0.942 11 S CB -0.559 62.669 63.200 0.046 0.000 0.776 11 S HN 0.352 nan 8.310 nan 0.000 0.514 12 G N 1.620 110.465 108.800 0.074 0.000 2.442 12 G HA2 0.010 3.971 3.960 0.002 0.000 0.219 12 G HA3 0.010 3.971 3.960 0.002 0.000 0.219 12 G C 1.666 176.639 174.900 0.122 0.000 1.141 12 G CA 0.818 45.967 45.100 0.081 0.000 0.763 12 G HN 0.771 nan 8.290 nan 0.000 0.554 13 A N 0.945 123.861 122.820 0.160 0.000 1.873 13 A HA -0.111 4.210 4.320 0.002 0.000 0.218 13 A C 2.228 180.012 177.584 0.333 0.000 1.193 13 A CA 2.439 54.640 52.037 0.274 0.000 0.629 13 A CB -0.452 18.711 19.000 0.272 0.000 0.826 13 A HN 0.381 nan 8.150 nan 0.000 0.447 14 K N -0.442 120.111 120.400 0.255 0.000 2.097 14 K HA -0.139 4.182 4.320 0.002 0.000 0.205 14 K C 2.273 178.876 176.600 0.004 0.000 1.050 14 K CA 1.593 57.906 56.287 0.043 0.000 0.938 14 K CB -0.247 32.291 32.500 0.064 0.000 0.718 14 K HN 0.625 nan 8.250 nan 0.000 0.442 15 Q N -0.016 119.814 119.800 0.050 0.000 2.061 15 Q HA -0.161 4.180 4.340 0.002 0.000 0.204 15 Q C 1.805 177.827 176.000 0.037 0.000 0.984 15 Q CA 1.992 57.814 55.803 0.031 0.000 0.846 15 Q CB 0.014 28.773 28.738 0.036 0.000 0.902 15 Q HN 0.212 nan 8.270 nan 0.000 0.421 16 V N 1.158 121.121 119.914 0.081 0.000 2.358 16 V HA -0.253 3.868 4.120 0.002 0.000 0.246 16 V C 2.381 178.587 176.094 0.188 0.000 1.047 16 V CA 1.419 63.785 62.300 0.111 0.000 1.035 16 V CB -0.640 31.288 31.823 0.174 0.000 0.658 16 V HN 0.402 nan 8.190 nan 0.000 0.452 17 L N 0.110 121.437 121.223 0.173 0.000 1.990 17 L HA -0.278 4.063 4.340 0.002 0.000 0.213 17 L C 2.504 179.459 176.870 0.141 0.000 1.072 17 L CA 2.174 57.104 54.840 0.150 0.000 0.755 17 L CB -0.578 41.304 42.059 -0.295 0.000 0.889 17 L HN 0.376 nan 8.230 nan 0.000 0.432 18 Q N -1.020 118.791 119.800 0.018 0.000 2.033 18 Q HA -0.159 4.182 4.340 0.002 0.000 0.196 18 Q C 2.140 178.130 176.000 -0.017 0.000 0.970 18 Q CA 1.777 57.576 55.803 -0.006 0.000 0.828 18 Q CB -0.201 28.515 28.738 -0.036 0.000 0.895 18 Q HN 0.629 nan 8.270 nan 0.000 0.440 19 E N -0.133 120.053 120.200 -0.024 0.000 2.112 19 E HA -0.073 4.278 4.350 0.002 0.000 0.190 19 E C 1.800 178.338 176.600 -0.104 0.000 0.979 19 E CA 1.294 57.662 56.400 -0.054 0.000 0.814 19 E CB 0.182 29.856 29.700 -0.044 0.000 0.762 19 E HN 0.231 nan 8.360 nan 0.000 0.460 20 T N -0.028 114.434 114.554 -0.154 0.000 2.983 20 T HA 0.031 4.382 4.350 0.002 0.000 0.250 20 T C 1.146 175.562 174.700 -0.474 0.000 1.037 20 T CA 0.618 62.490 62.100 -0.380 0.000 1.142 20 T CB -0.025 68.482 68.868 -0.601 0.000 0.876 20 T HN 0.038 nan 8.240 nan 0.000 0.455 21 F N 0.583 120.546 119.950 0.021 0.000 2.731 21 F HA 0.411 4.939 4.527 0.002 0.000 0.298 21 F C 1.911 177.626 175.800 -0.143 0.000 1.106 21 F CA -0.067 57.960 58.000 0.045 0.000 1.329 21 F CB -0.097 39.045 39.000 0.236 0.000 1.100 21 F HN 0.289 nan 8.300 nan 0.000 0.592 22 G N -0.093 108.694 108.800 -0.022 0.000 2.143 22 G HA2 -0.319 3.642 3.960 0.002 0.000 0.248 22 G HA3 -0.319 3.642 3.960 0.002 0.000 0.248 22 G C -0.274 174.461 174.900 -0.276 0.000 0.991 22 G CA -0.333 44.662 45.100 -0.175 0.000 0.689 22 G HN 0.351 nan 8.290 nan 0.000 0.522 23 Y N -0.185 120.114 120.300 -0.002 0.000 2.320 23 Y HA 0.484 5.035 4.550 0.002 0.000 0.334 23 Y C 1.471 177.309 175.900 -0.102 0.000 1.055 23 Y CA -0.570 57.498 58.100 -0.053 0.000 1.143 23 Y CB 1.346 39.763 38.460 -0.072 0.000 1.193 23 Y HN 0.034 nan 8.280 nan 0.000 0.477 24 Q N 1.687 121.516 119.800 0.048 0.000 2.137 24 Q HA -0.080 4.261 4.340 0.002 0.000 0.198 24 Q C -0.243 175.722 176.000 -0.057 0.000 0.960 24 Q CA 1.123 56.917 55.803 -0.015 0.000 0.847 24 Q CB 0.411 29.143 28.738 -0.009 0.000 0.915 24 Q HN 0.869 nan 8.270 nan 0.000 0.448 25 Q N -1.958 117.808 119.800 -0.057 0.000 2.462 25 Q HA 0.389 4.729 4.340 0.002 0.000 0.285 25 Q C -1.159 174.771 176.000 -0.116 0.000 1.035 25 Q CA -0.775 54.969 55.803 -0.099 0.000 0.799 25 Q CB 0.754 29.486 28.738 -0.009 0.000 1.452 25 Q HN -0.184 nan 8.270 nan 0.000 0.404 26 F N 1.017 120.967 119.950 -0.000 0.000 2.450 26 F HA 0.363 4.891 4.527 0.002 0.000 0.339 26 F C 0.995 176.766 175.800 -0.048 0.000 1.146 26 F CA -0.130 57.847 58.000 -0.039 0.000 1.267 26 F CB 0.777 39.756 39.000 -0.035 0.000 1.178 26 F HN 0.386 nan 8.300 nan 0.000 0.585 27 R N 1.894 122.491 120.500 0.160 0.000 2.549 27 R HA 0.353 4.694 4.340 0.002 0.000 0.267 27 R C -2.408 173.912 176.300 0.033 0.000 1.045 27 R CA -1.782 54.348 56.100 0.050 0.000 1.115 27 R CB 0.107 30.399 30.300 -0.014 0.000 1.121 27 R HN 0.275 nan 8.270 nan 0.000 0.543 28 P HA -0.084 nan 4.420 nan 0.000 0.260 28 P C 0.504 177.777 177.300 -0.045 0.000 1.172 28 P CA 1.252 64.342 63.100 -0.015 0.000 0.760 28 P CB 0.390 32.080 31.700 -0.018 0.000 0.773 29 G N 2.552 111.316 108.800 -0.061 0.000 2.299 29 G HA2 -0.343 3.618 3.960 0.002 0.000 0.237 29 G HA3 -0.343 3.618 3.960 0.002 0.000 0.237 29 G C 1.202 176.023 174.900 -0.132 0.000 1.027 29 G CA 0.364 45.413 45.100 -0.085 0.000 0.619 29 G HN 0.511 nan 8.290 nan 0.000 0.513 30 Q N 0.048 119.755 119.800 -0.155 0.000 1.993 30 Q HA -0.050 4.291 4.340 0.002 0.000 0.202 30 Q C 2.329 178.019 176.000 -0.516 0.000 0.984 30 Q CA 1.712 57.362 55.803 -0.254 0.000 0.837 30 Q CB -0.212 28.450 28.738 -0.127 0.000 0.902 30 Q HN 0.736 nan 8.270 nan 0.000 0.423 31 E N 0.504 120.271 120.200 -0.720 0.000 2.058 31 E HA -0.256 4.095 4.350 0.002 0.000 0.194 31 E C 1.705 178.074 176.600 -0.386 0.000 0.997 31 E CA 1.454 57.362 56.400 -0.821 0.000 0.801 31 E CB 0.173 29.546 29.700 -0.545 0.000 0.746 31 E HN 0.259 nan 8.360 nan 0.000 0.450 32 E N 0.655 120.713 120.200 -0.237 0.000 2.049 32 E HA -0.225 4.126 4.350 0.002 0.000 0.198 32 E C 2.068 178.592 176.600 -0.126 0.000 1.007 32 E CA 1.435 57.751 56.400 -0.140 0.000 0.809 32 E CB -0.221 29.422 29.700 -0.096 0.000 0.749 32 E HN 0.322 nan 8.360 nan 0.000 0.450 33 I N 0.593 121.081 120.570 -0.137 0.000 2.127 33 I HA -0.258 3.913 4.170 0.002 0.000 0.241 33 I C 2.403 178.461 176.117 -0.098 0.000 1.075 33 I CA 1.429 62.670 61.300 -0.098 0.000 1.334 33 I CB -0.993 36.951 38.000 -0.093 0.000 1.040 33 I HN 0.151 nan 8.210 nan 0.000 0.405 34 I N 0.748 121.221 120.570 -0.162 0.000 2.163 34 I HA -0.315 3.856 4.170 0.002 0.000 0.243 34 I C 2.171 178.238 176.117 -0.084 0.000 1.085 34 I CA 1.455 62.680 61.300 -0.126 0.000 1.347 34 I CB -0.458 37.423 38.000 -0.197 0.000 1.044 34 I HN 0.217 nan 8.210 nan 0.000 0.408 35 D N 0.323 120.657 120.400 -0.110 0.000 2.144 35 D HA -0.134 4.507 4.640 0.002 0.000 0.199 35 D C 2.222 178.501 176.300 -0.035 0.000 0.984 35 D CA 1.553 55.517 54.000 -0.060 0.000 0.834 35 D CB -0.384 40.377 40.800 -0.066 0.000 0.955 35 D HN 0.296 nan 8.370 nan 0.000 0.465 36 T N 0.622 115.152 114.554 -0.040 0.000 2.746 36 T HA -0.086 4.265 4.350 0.002 0.000 0.267 36 T C 2.292 176.990 174.700 -0.004 0.000 1.039 36 T CA 0.734 62.822 62.100 -0.020 0.000 1.142 36 T CB -0.329 68.526 68.868 -0.021 0.000 0.866 36 T HN -0.020 nan 8.240 nan 0.000 0.444 37 V N 1.583 121.495 119.914 -0.003 0.000 2.343 37 V HA -0.114 4.007 4.120 0.002 0.000 0.247 37 V C 2.480 178.587 176.094 0.020 0.000 1.051 37 V CA 1.445 63.755 62.300 0.018 0.000 1.036 37 V CB -0.719 31.120 31.823 0.026 0.000 0.654 37 V HN 0.432 nan 8.190 nan 0.000 0.451 38 L N 0.928 122.159 121.223 0.013 0.000 2.191 38 L HA -0.140 4.201 4.340 0.002 0.000 0.212 38 L C 2.546 179.426 176.870 0.017 0.000 1.103 38 L CA 1.705 56.557 54.840 0.020 0.000 0.769 38 L CB -0.588 41.482 42.059 0.019 0.000 0.908 38 L HN 0.561 nan 8.230 nan 0.000 0.438 39 S N -0.696 115.010 115.700 0.010 0.000 2.522 39 S HA 0.068 4.539 4.470 0.002 0.000 0.227 39 S C 1.532 176.139 174.600 0.011 0.000 0.986 39 S CA 0.475 58.680 58.200 0.009 0.000 0.929 39 S CB 0.160 63.362 63.200 0.003 0.000 0.769 39 S HN 0.544 nan 8.310 nan 0.000 0.529 40 G N 1.065 109.875 108.800 0.015 0.000 2.132 40 G HA2 -0.260 3.701 3.960 0.002 0.000 0.234 40 G HA3 -0.260 3.701 3.960 0.002 0.000 0.234 40 G C -0.058 174.850 174.900 0.012 0.000 0.989 40 G CA 0.042 45.153 45.100 0.017 0.000 0.676 40 G HN 0.768 nan 8.290 nan 0.000 0.522 41 R N 0.535 121.042 120.500 0.012 0.000 2.368 41 R HA 0.469 4.810 4.340 0.002 0.000 0.302 41 R C -0.462 175.851 176.300 0.021 0.000 1.002 41 R CA -0.738 55.367 56.100 0.009 0.000 0.929 41 R CB 0.527 30.830 30.300 0.004 0.000 1.073 41 R HN 0.088 nan 8.270 nan 0.000 0.464 42 D N 1.642 122.054 120.400 0.019 0.000 2.419 42 D HA 0.047 4.687 4.640 0.002 0.000 0.236 42 D C -0.530 175.799 176.300 0.048 0.000 1.165 42 D CA 0.334 54.361 54.000 0.046 0.000 0.882 42 D CB 0.837 41.657 40.800 0.033 0.000 1.201 42 D HN 0.451 nan 8.370 nan 0.000 0.443 43 C N 2.125 121.466 119.300 0.068 0.000 2.880 43 C HA 0.650 5.111 4.460 0.002 0.000 0.320 43 C C -1.759 173.272 174.990 0.069 0.000 1.176 43 C CA -0.847 58.204 59.018 0.054 0.000 1.390 43 C CB 0.714 28.478 27.740 0.041 0.000 1.846 43 C HN 0.534 nan 8.230 nan 0.000 0.478 44 L N 6.004 127.263 121.223 0.060 0.000 2.325 44 L HA 0.820 5.161 4.340 0.002 0.000 0.281 44 L C -1.019 175.882 176.870 0.053 0.000 1.004 44 L CA -0.043 54.839 54.840 0.070 0.000 0.823 44 L CB 1.647 43.754 42.059 0.078 0.000 1.236 44 L HN 0.549 nan 8.230 nan 0.000 0.415 45 V N 6.250 126.198 119.914 0.056 0.000 2.357 45 V HA 0.601 4.722 4.120 0.002 0.000 0.284 45 V C 0.105 176.216 176.094 0.028 0.000 1.018 45 V CA -0.438 61.880 62.300 0.030 0.000 0.841 45 V CB 1.370 33.212 31.823 0.031 0.000 0.991 45 V HN 0.654 nan 8.190 nan 0.000 0.437 49 T N -0.634 113.880 114.554 -0.068 0.000 2.868 49 T HA 0.502 4.853 4.350 0.002 0.000 0.306 49 T C 0.805 175.479 174.700 -0.044 0.000 1.224 49 T CA 0.054 62.123 62.100 -0.053 0.000 1.012 49 T CB 2.046 70.877 68.868 -0.062 0.000 1.221 49 T HN 0.055 nan 8.240 nan 0.000 0.499 50 G N 0.537 109.322 108.800 -0.024 0.000 2.422 50 G HA2 -0.027 3.934 3.960 0.002 0.000 0.218 50 G HA3 -0.027 3.934 3.960 0.002 0.000 0.218 50 G C 1.613 176.479 174.900 -0.056 0.000 1.146 50 G CA 1.073 46.167 45.100 -0.010 0.000 0.769 50 G HN 0.870 nan 8.290 nan 0.000 0.547 51 G N 0.969 109.723 108.800 -0.076 0.000 2.514 51 G HA2 -0.032 3.929 3.960 0.002 0.000 0.217 51 G HA3 -0.032 3.929 3.960 0.002 0.000 0.217 51 G C 1.798 176.576 174.900 -0.204 0.000 1.198 51 G CA 1.455 46.482 45.100 -0.121 0.000 0.780 51 G HN 0.587 nan 8.290 nan 0.000 0.565 52 G N 0.053 108.743 108.800 -0.183 0.000 2.408 52 G HA2 -0.132 3.829 3.960 0.002 0.000 0.217 52 G HA3 -0.132 3.829 3.960 0.002 0.000 0.217 52 G C 1.703 176.492 174.900 -0.184 0.000 1.150 52 G CA 1.216 46.196 45.100 -0.200 0.000 0.776 52 G HN 0.500 nan 8.290 nan 0.000 0.542 53 K N 0.915 121.233 120.400 -0.138 0.000 2.009 53 K HA -0.150 4.171 4.320 0.002 0.000 0.210 53 K C 2.973 179.445 176.600 -0.213 0.000 1.049 53 K CA 1.766 57.989 56.287 -0.105 0.000 0.929 53 K CB -0.207 32.281 32.500 -0.020 0.000 0.714 53 K HN 0.440 nan 8.250 nan 0.000 0.440 54 S N 0.927 116.458 115.700 -0.282 0.000 2.399 54 S HA -0.136 4.335 4.470 0.002 0.000 0.231 54 S C 1.987 176.087 174.600 -0.834 0.000 1.022 54 S CA 1.047 58.873 58.200 -0.623 0.000 0.983 54 S CB -0.613 62.404 63.200 -0.305 0.000 0.803 54 S HN 0.305 nan 8.310 nan 0.000 0.480 55 L N 0.728 121.624 121.223 -0.545 0.000 2.275 55 L HA -0.060 4.281 4.340 0.002 0.000 0.215 55 L C 2.639 179.307 176.870 -0.336 0.000 1.119 55 L CA 0.561 55.098 54.840 -0.503 0.000 0.790 55 L CB -0.946 40.853 42.059 -0.433 0.000 0.919 55 L HN 0.452 nan 8.230 nan 0.000 0.443 56 C N -0.432 118.687 119.300 -0.302 0.000 2.419 56 C HA -0.182 4.279 4.460 0.002 0.000 0.281 56 C C 2.499 177.444 174.990 -0.075 0.000 1.336 56 C CA 0.810 59.733 59.018 -0.157 0.000 1.770 56 C CB -0.981 26.704 27.740 -0.091 0.000 1.929 56 C HN 0.704 nan 8.230 nan 0.000 0.509 57 Y N -0.890 119.387 120.300 -0.038 0.000 2.498 57 Y HA 0.265 4.816 4.550 0.001 0.000 0.259 57 Y C 2.136 178.030 175.900 -0.009 0.000 1.086 57 Y CA 0.068 58.151 58.100 -0.028 0.000 1.287 57 Y CB -1.142 37.290 38.460 -0.047 0.000 1.146 57 Y HN 0.163 nan 8.280 nan 0.000 0.523 58 Q N 1.114 120.800 119.800 -0.190 0.000 2.083 58 Q HA -0.023 4.318 4.340 0.002 0.000 0.198 58 Q C 2.093 178.175 176.000 0.136 0.000 0.969 58 Q CA 1.956 57.779 55.803 0.034 0.000 0.838 58 Q CB -0.049 28.645 28.738 -0.073 0.000 0.900 58 Q HN 0.558 nan 8.270 nan 0.000 0.436 59 I N 0.773 121.382 120.570 0.066 0.000 2.142 59 I HA -0.211 3.960 4.170 0.002 0.000 0.240 59 I C -0.830 175.370 176.117 0.138 0.000 1.078 59 I CA 1.017 62.421 61.300 0.175 0.000 1.343 59 I CB -1.258 36.841 38.000 0.165 0.000 1.046 59 I HN 0.109 nan 8.210 nan 0.000 0.405 60 P HA -0.222 nan 4.420 nan 0.000 0.216 60 P C 1.492 178.848 177.300 0.093 0.000 1.153 60 P CA 2.045 65.195 63.100 0.084 0.000 0.858 60 P CB -0.062 31.681 31.700 0.073 0.000 0.789 61 A N -0.889 121.998 122.820 0.112 0.000 1.940 61 A HA -0.174 4.147 4.320 0.002 0.000 0.219 61 A C 2.159 179.800 177.584 0.096 0.000 1.176 61 A CA 1.515 53.613 52.037 0.102 0.000 0.631 61 A CB -1.648 17.423 19.000 0.118 0.000 0.814 61 A HN 0.150 nan 8.150 nan 0.000 0.446 62 L N -1.097 120.197 121.223 0.119 0.000 2.313 62 L HA 0.015 4.356 4.340 0.002 0.000 0.214 62 L C 1.762 178.679 176.870 0.078 0.000 1.119 62 L CA 0.467 55.367 54.840 0.099 0.000 0.809 62 L CB -0.198 41.935 42.059 0.125 0.000 0.933 62 L HN 0.324 nan 8.230 nan 0.000 0.449 63 L N -0.397 120.876 121.223 0.083 0.000 2.592 63 L HA 0.175 4.516 4.340 0.002 0.000 0.227 63 L C 0.182 177.084 176.870 0.054 0.000 1.127 63 L CA -0.011 54.869 54.840 0.067 0.000 0.884 63 L CB 0.136 42.239 42.059 0.073 0.000 1.065 63 L HN 0.142 nan 8.230 nan 0.000 0.457 64 L N -0.659 120.596 121.223 0.053 0.000 2.333 64 L HA 0.407 4.748 4.340 0.002 0.000 0.269 64 L C -0.224 176.671 176.870 0.041 0.000 1.010 64 L CA -0.710 54.157 54.840 0.045 0.000 0.818 64 L CB 1.590 43.676 42.059 0.046 0.000 1.306 64 L HN -0.006 nan 8.230 nan 0.000 0.430 65 N N 1.547 120.269 118.700 0.036 0.000 2.444 65 N HA 0.582 5.323 4.740 0.002 0.000 0.271 65 N C 0.078 175.610 175.510 0.038 0.000 1.069 65 N CA 0.271 53.342 53.050 0.035 0.000 0.965 65 N CB 1.768 40.274 38.487 0.032 0.000 1.092 65 N HN 0.851 nan 8.380 nan 0.000 0.476 66 G N 0.435 109.259 108.800 0.039 0.000 2.343 66 G HA2 -0.025 3.936 3.960 0.002 0.000 0.465 66 G HA3 -0.025 3.936 3.960 0.002 0.000 0.465 66 G C -1.891 173.035 174.900 0.043 0.000 1.282 66 G CA -0.931 44.196 45.100 0.045 0.000 0.996 66 G HN 0.443 nan 8.290 nan 0.000 0.521 67 L N 0.602 121.855 121.223 0.050 0.000 2.282 67 L HA 0.796 5.137 4.340 0.002 0.000 0.288 67 L C 0.475 177.356 176.870 0.018 0.000 1.033 67 L CA -0.211 54.656 54.840 0.045 0.000 0.807 67 L CB 1.745 43.858 42.059 0.091 0.000 1.209 67 L HN 0.688 nan 8.230 nan 0.000 0.423 68 T N 4.581 119.135 114.554 -0.000 0.000 2.767 68 T HA 0.542 4.893 4.350 0.002 0.000 0.284 68 T C -0.533 174.106 174.700 -0.100 0.000 0.973 68 T CA -0.312 61.763 62.100 -0.041 0.000 0.996 68 T CB 1.160 70.018 68.868 -0.017 0.000 0.927 68 T HN 0.358 nan 8.240 nan 0.000 0.456 69 V N 4.475 124.302 119.914 -0.145 0.000 2.435 69 V HA 0.475 4.596 4.120 0.002 0.000 0.290 69 V C -0.238 175.661 176.094 -0.325 0.000 1.030 69 V CA -0.672 61.517 62.300 -0.185 0.000 0.881 69 V CB 1.818 33.563 31.823 -0.130 0.000 0.983 69 V HN 0.671 nan 8.190 nan 0.000 0.445 70 V N 5.754 125.411 119.914 -0.430 0.000 2.407 70 V HA 0.374 4.495 4.120 0.002 0.000 0.291 70 V C -0.138 175.760 176.094 -0.326 0.000 1.018 70 V CA -0.647 61.316 62.300 -0.563 0.000 0.842 70 V CB 1.840 33.050 31.823 -1.020 0.000 0.996 70 V HN 0.613 nan 8.190 nan 0.000 0.426 71 V N 4.167 123.915 119.914 -0.277 0.000 2.461 71 V HA 0.639 4.760 4.120 0.002 0.000 0.275 71 V C 0.372 176.409 176.094 -0.094 0.000 1.047 71 V CA 0.232 62.405 62.300 -0.211 0.000 0.955 71 V CB 1.331 32.965 31.823 -0.315 0.000 0.988 71 V HN 0.911 nan 8.190 nan 0.000 0.471 72 S N 5.616 121.309 115.700 -0.012 0.000 2.537 72 S HA 0.611 5.082 4.470 0.002 0.000 0.270 72 S C -2.388 172.267 174.600 0.092 0.000 1.142 72 S CA -1.005 57.253 58.200 0.096 0.000 0.870 72 S CB 2.618 65.906 63.200 0.146 0.000 1.112 72 S HN 0.525 nan 8.310 nan 0.000 0.466 73 P HA 0.244 nan 4.420 nan 0.000 0.251 73 P C -0.079 177.251 177.300 0.051 0.000 1.223 73 P CA 0.014 63.176 63.100 0.104 0.000 0.796 73 P CB 0.006 31.780 31.700 0.124 0.000 1.068 74 L N 0.561 121.814 121.223 0.051 0.000 2.423 74 L HA 0.143 4.484 4.340 0.002 0.000 0.249 74 L C 1.687 178.563 176.870 0.010 0.000 1.276 74 L CA -0.163 54.696 54.840 0.031 0.000 1.199 74 L CB -1.285 40.796 42.059 0.037 0.000 1.407 74 L HN -0.211 nan 8.230 nan 0.000 0.410 75 I N -0.041 120.533 120.570 0.007 0.000 2.091 75 I HA -0.265 3.906 4.170 0.002 0.000 0.239 75 I C 1.561 177.668 176.117 -0.016 0.000 1.061 75 I CA 1.400 62.696 61.300 -0.007 0.000 1.317 75 I CB -0.387 37.611 38.000 -0.004 0.000 1.031 75 I HN 0.617 nan 8.210 nan 0.000 0.401 76 S N 1.801 117.499 115.700 -0.003 0.000 3.869 76 S HA 0.582 5.053 4.470 0.002 0.000 0.241 76 S C -0.349 174.247 174.600 -0.007 0.000 1.363 76 S CA -0.416 57.783 58.200 -0.003 0.000 0.894 76 S CB -0.053 63.156 63.200 0.015 0.000 1.519 76 S HN 0.237 nan 8.310 nan 0.000 0.470 80 D N 1.504 121.851 120.400 -0.087 0.000 2.137 80 D HA -0.043 4.598 4.640 0.002 0.000 0.202 80 D C 1.719 177.975 176.300 -0.072 0.000 0.970 80 D CA 0.858 54.822 54.000 -0.060 0.000 0.837 80 D CB 0.398 41.171 40.800 -0.044 0.000 0.981 80 D HN 0.218 nan 8.370 nan 0.000 0.475 81 Q N 0.560 120.276 119.800 -0.140 0.000 2.061 81 Q HA -0.111 4.230 4.340 0.002 0.000 0.204 81 Q C 2.456 178.410 176.000 -0.077 0.000 0.984 81 Q CA 0.739 56.457 55.803 -0.142 0.000 0.846 81 Q CB -0.502 28.023 28.738 -0.354 0.000 0.902 81 Q HN 0.205 nan 8.270 nan 0.000 0.421 82 V N 1.960 121.800 119.914 -0.123 0.000 2.255 82 V HA -0.274 3.847 4.120 0.002 0.000 0.247 82 V C 1.879 177.985 176.094 0.020 0.000 1.051 82 V CA 2.188 64.484 62.300 -0.006 0.000 1.018 82 V CB -0.643 31.171 31.823 -0.014 0.000 0.641 82 V HN 0.286 nan 8.190 nan 0.000 0.445 83 D N -0.398 120.000 120.400 -0.003 0.000 2.104 83 D HA -0.200 4.441 4.640 0.002 0.000 0.194 83 D C 2.335 178.647 176.300 0.019 0.000 0.994 83 D CA 1.430 55.434 54.000 0.007 0.000 0.830 83 D CB -0.340 40.459 40.800 -0.002 0.000 0.959 83 D HN 0.558 nan 8.370 nan 0.000 0.452 84 Q N 0.081 119.895 119.800 0.024 0.000 2.096 84 Q HA -0.093 4.248 4.340 0.002 0.000 0.204 84 Q C 2.594 178.637 176.000 0.072 0.000 0.982 84 Q CA 0.750 56.579 55.803 0.044 0.000 0.850 84 Q CB -0.155 28.613 28.738 0.051 0.000 0.901 84 Q HN 0.305 nan 8.270 nan 0.000 0.422 85 L N 0.550 121.833 121.223 0.100 0.000 2.017 85 L HA -0.236 4.104 4.340 0.002 0.000 0.208 85 L C 2.625 179.539 176.870 0.074 0.000 1.073 85 L CA 1.070 55.990 54.840 0.133 0.000 0.745 85 L CB -0.422 41.753 42.059 0.193 0.000 0.894 85 L HN 0.283 nan 8.230 nan 0.000 0.432 86 Q N -0.397 119.437 119.800 0.056 0.000 2.170 86 Q HA -0.183 4.157 4.340 0.002 0.000 0.203 86 Q C 2.325 178.332 176.000 0.011 0.000 0.976 86 Q CA 1.646 57.467 55.803 0.031 0.000 0.858 86 Q CB -0.266 28.487 28.738 0.026 0.000 0.907 86 Q HN 0.562 nan 8.270 nan 0.000 0.433 87 A N 1.188 124.015 122.820 0.011 0.000 2.067 87 A HA -0.111 4.210 4.320 0.002 0.000 0.219 87 A C 1.447 179.020 177.584 -0.018 0.000 1.158 87 A CA 0.952 52.987 52.037 -0.002 0.000 0.661 87 A CB -0.106 18.896 19.000 0.003 0.000 0.801 87 A HN 0.251 nan 8.150 nan 0.000 0.452 88 N N -0.736 117.951 118.700 -0.022 0.000 2.322 88 N HA 0.194 4.935 4.740 0.002 0.000 0.194 88 N C 1.062 176.516 175.510 -0.093 0.000 1.126 88 N CA 0.929 53.933 53.050 -0.076 0.000 0.845 88 N CB 0.480 38.901 38.487 -0.110 0.000 0.976 88 N HN 0.587 nan 8.380 nan 0.000 0.475 89 G N -0.327 108.444 108.800 -0.049 0.000 2.159 89 G HA2 -0.265 3.696 3.960 0.002 0.000 0.256 89 G HA3 -0.265 3.696 3.960 0.002 0.000 0.256 89 G C -0.096 174.788 174.900 -0.027 0.000 0.977 89 G CA 0.198 45.273 45.100 -0.042 0.000 0.652 89 G HN 0.187 nan 8.290 nan 0.000 0.531 90 V N 0.923 120.832 119.914 -0.009 0.000 2.465 90 V HA 0.667 4.788 4.120 0.002 0.000 0.279 90 V C 1.035 177.158 176.094 0.048 0.000 1.045 90 V CA -0.083 62.234 62.300 0.028 0.000 0.938 90 V CB 1.583 33.450 31.823 0.074 0.000 0.986 90 V HN 1.115 nan 8.190 nan 0.000 0.467 91 A N 4.468 127.313 122.820 0.043 0.000 2.906 91 A HA 0.661 4.982 4.320 0.002 0.000 0.289 91 A C 0.544 178.165 177.584 0.063 0.000 1.675 91 A CA 0.187 52.247 52.037 0.039 0.000 1.372 91 A CB -0.619 18.393 19.000 0.020 0.000 1.091 91 A HN 1.175 nan 8.150 nan 0.000 0.579 92 A N 1.424 124.297 122.820 0.088 0.000 2.337 92 A HA 0.955 5.275 4.320 0.002 0.000 0.331 92 A C 0.114 177.767 177.584 0.116 0.000 1.137 92 A CA 0.084 52.204 52.037 0.138 0.000 0.807 92 A CB 1.371 20.504 19.000 0.221 0.000 1.250 92 A HN 2.065 nan 8.150 nan 0.000 0.468 93 A N -0.395 122.511 122.820 0.144 0.000 2.588 93 A HA 0.805 5.126 4.320 0.002 0.000 0.290 93 A C -0.459 177.219 177.584 0.156 0.000 1.136 93 A CA 0.045 52.145 52.037 0.105 0.000 0.681 93 A CB 0.649 19.680 19.000 0.051 0.000 1.282 93 A HN 2.546 nan 8.150 nan 0.000 0.421 94 C N -0.740 118.617 119.300 0.096 0.000 3.090 94 C HA 0.916 5.377 4.460 0.002 0.000 0.305 94 C C -1.514 173.502 174.990 0.043 0.000 1.292 94 C CA -0.814 58.265 59.018 0.101 0.000 1.482 94 C CB 0.667 28.451 27.740 0.075 0.000 1.897 94 C HN 1.397 nan 8.230 nan 0.000 0.469 95 L N 4.017 125.251 121.223 0.018 0.000 2.438 95 L HA 0.750 5.091 4.340 0.002 0.000 0.270 95 L C -0.813 176.017 176.870 -0.067 0.000 0.972 95 L CA 0.025 54.848 54.840 -0.028 0.000 0.831 95 L CB 1.538 43.567 42.059 -0.049 0.000 1.273 95 L HN 1.111 nan 8.230 nan 0.000 0.405 96 N N 1.312 119.979 118.700 -0.055 0.000 2.927 96 N HA 0.173 4.914 4.740 0.002 0.000 0.248 96 N C -0.631 174.852 175.510 -0.046 0.000 1.443 96 N CA -0.668 52.345 53.050 -0.061 0.000 0.870 96 N CB 1.416 39.879 38.487 -0.040 0.000 1.444 96 N HN 0.274 nan 8.380 nan 0.000 0.519 97 S N -0.384 115.289 115.700 -0.044 0.000 2.555 97 S HA -0.072 4.399 4.470 0.002 0.000 0.230 97 S C 1.429 176.019 174.600 -0.016 0.000 0.978 97 S CA 0.859 59.042 58.200 -0.029 0.000 0.934 97 S CB -0.348 62.835 63.200 -0.028 0.000 0.766 97 S HN 0.683 nan 8.310 nan 0.000 0.533 98 T N 1.573 116.118 114.554 -0.015 0.000 3.023 98 T HA 0.087 4.438 4.350 0.002 0.000 0.266 98 T C 0.692 175.388 174.700 -0.006 0.000 1.093 98 T CA 0.533 62.628 62.100 -0.008 0.000 1.129 98 T CB 0.020 68.884 68.868 -0.007 0.000 0.899 98 T HN 0.468 nan 8.240 nan 0.000 0.491 99 Q N 2.041 121.836 119.800 -0.008 0.000 2.417 99 Q HA 0.275 4.616 4.340 0.002 0.000 0.241 99 Q C 0.573 176.572 176.000 -0.001 0.000 1.008 99 Q CA -0.311 55.489 55.803 -0.004 0.000 0.901 99 Q CB 0.742 29.477 28.738 -0.005 0.000 1.259 99 Q HN 0.417 nan 8.270 nan 0.000 0.489 100 T N -1.910 112.645 114.554 0.001 0.000 2.856 100 T HA 0.059 4.410 4.350 0.002 0.000 0.306 100 T C 0.892 175.596 174.700 0.007 0.000 1.062 100 T CA -0.461 61.641 62.100 0.004 0.000 1.083 100 T CB 0.947 69.818 68.868 0.004 0.000 0.984 100 T HN 0.726 nan 8.240 nan 0.000 0.542 101 R N 0.424 120.930 120.500 0.010 0.000 2.120 101 R HA -0.121 4.220 4.340 0.002 0.000 0.234 101 R C 2.370 178.679 176.300 0.015 0.000 1.123 101 R CA 1.644 57.752 56.100 0.015 0.000 0.975 101 R CB -0.288 30.023 30.300 0.018 0.000 0.866 101 R HN 0.949 nan 8.270 nan 0.000 0.446 102 E N 0.359 120.567 120.200 0.012 0.000 2.070 102 E HA -0.324 4.027 4.350 0.002 0.000 0.197 102 E C 1.957 178.562 176.600 0.008 0.000 1.004 102 E CA 1.807 58.213 56.400 0.010 0.000 0.805 102 E CB -0.037 29.668 29.700 0.008 0.000 0.744 102 E HN 0.460 nan 8.360 nan 0.000 0.451 103 Q N -0.007 119.797 119.800 0.006 0.000 2.079 103 Q HA -0.226 4.115 4.340 0.002 0.000 0.200 103 Q C 2.215 178.219 176.000 0.007 0.000 0.974 103 Q CA 1.646 57.451 55.803 0.004 0.000 0.840 103 Q CB 0.055 28.795 28.738 0.003 0.000 0.898 103 Q HN 0.373 nan 8.270 nan 0.000 0.430 104 Q N 0.096 119.904 119.800 0.012 0.000 2.061 104 Q HA -0.179 4.162 4.340 0.002 0.000 0.204 104 Q C 2.232 178.252 176.000 0.033 0.000 0.984 104 Q CA 1.568 57.385 55.803 0.024 0.000 0.846 104 Q CB -0.138 28.615 28.738 0.025 0.000 0.902 104 Q HN 0.436 nan 8.270 nan 0.000 0.421 105 L N 0.507 121.745 121.223 0.025 0.000 2.083 105 L HA -0.197 4.144 4.340 0.002 0.000 0.209 105 L C 2.180 179.050 176.870 0.000 0.000 1.083 105 L CA 1.133 55.986 54.840 0.022 0.000 0.752 105 L CB -0.364 41.708 42.059 0.022 0.000 0.899 105 L HN 0.264 nan 8.230 nan 0.000 0.433 106 E N -0.517 119.679 120.200 -0.006 0.000 2.077 106 E HA -0.131 4.220 4.350 0.002 0.000 0.193 106 E C 1.056 177.630 176.600 -0.044 0.000 0.989 106 E CA 0.641 57.028 56.400 -0.022 0.000 0.800 106 E CB -0.018 29.673 29.700 -0.015 0.000 0.746 106 E HN 0.172 nan 8.360 nan 0.000 0.452 110 G N 0.478 109.148 108.800 -0.215 0.000 2.422 110 G HA2 -0.195 3.766 3.960 0.002 0.000 0.218 110 G HA3 -0.195 3.766 3.960 0.002 0.000 0.218 110 G C 1.681 176.412 174.900 -0.282 0.000 1.146 110 G CA 1.547 46.534 45.100 -0.189 0.000 0.769 110 G HN 0.605 nan 8.290 nan 0.000 0.547 111 C N -0.399 118.611 119.300 -0.483 0.000 2.466 111 C HA 0.122 4.583 4.460 0.002 0.000 0.278 111 C C 2.785 177.275 174.990 -0.834 0.000 1.288 111 C CA 0.739 59.363 59.018 -0.657 0.000 1.722 111 C CB -0.777 26.361 27.740 -1.003 0.000 2.017 111 C HN 0.544 nan 8.230 nan 0.000 0.488 112 R N 1.155 120.994 120.500 -1.102 0.000 2.091 112 R HA -0.160 4.181 4.340 0.002 0.000 0.238 112 R C 2.058 178.225 176.300 -0.222 0.000 1.136 112 R CA 2.198 57.901 56.100 -0.663 0.000 0.959 112 R CB -0.396 29.724 30.300 -0.300 0.000 0.856 112 R HN 0.699 nan 8.270 nan 0.000 0.437 113 T N -3.738 110.699 114.554 -0.195 0.000 3.100 113 T HA 0.184 4.535 4.350 0.002 0.000 0.253 113 T C 1.169 175.825 174.700 -0.073 0.000 1.118 113 T CA 0.487 62.531 62.100 -0.094 0.000 1.058 113 T CB 0.564 69.385 68.868 -0.079 0.000 0.953 113 T HN 0.435 nan 8.240 nan 0.000 0.515 114 G N 1.428 110.167 108.800 -0.100 0.000 2.137 114 G HA2 -0.232 3.729 3.960 0.002 0.000 0.237 114 G HA3 -0.232 3.729 3.960 0.002 0.000 0.237 114 G C 0.709 175.580 174.900 -0.048 0.000 1.002 114 G CA 0.243 45.309 45.100 -0.056 0.000 0.702 114 G HN 0.500 nan 8.290 nan 0.000 0.515 115 Q N -0.769 118.990 119.800 -0.068 0.000 2.408 115 Q HA 0.307 4.648 4.340 0.002 0.000 0.205 115 Q C 1.365 177.340 176.000 -0.040 0.000 0.919 115 Q CA 0.563 56.337 55.803 -0.048 0.000 0.932 115 Q CB 0.763 29.470 28.738 -0.051 0.000 1.058 115 Q HN 0.725 nan 8.270 nan 0.000 0.517 116 I N 0.969 121.505 120.570 -0.057 0.000 2.354 116 I HA 0.233 4.404 4.170 0.002 0.000 0.292 116 I C 1.348 177.458 176.117 -0.012 0.000 0.989 116 I CA -0.300 60.980 61.300 -0.033 0.000 1.188 116 I CB 1.877 39.846 38.000 -0.052 0.000 1.342 116 I HN -0.063 nan 8.210 nan 0.000 0.457 117 R N 5.727 126.235 120.500 0.014 0.000 2.105 117 R HA 0.308 4.649 4.340 0.002 0.000 0.214 117 R C 0.003 176.320 176.300 0.029 0.000 1.091 117 R CA 0.538 56.654 56.100 0.027 0.000 1.007 117 R CB 0.491 30.817 30.300 0.042 0.000 0.912 117 R HN 0.534 nan 8.270 nan 0.000 0.450 118 L N 2.346 123.591 121.223 0.037 0.000 2.372 118 L HA 0.407 4.748 4.340 0.002 0.000 0.273 118 L C -1.670 175.200 176.870 -0.000 0.000 0.989 118 L CA -1.014 53.830 54.840 0.006 0.000 0.841 118 L CB 1.902 43.996 42.059 0.059 0.000 1.225 118 L HN 0.097 nan 8.230 nan 0.000 0.414 119 L N 4.913 126.106 121.223 -0.050 0.000 2.280 119 L HA 0.468 4.809 4.340 0.002 0.000 0.287 119 L C -1.251 175.565 176.870 -0.089 0.000 1.023 119 L CA 0.057 54.900 54.840 0.004 0.000 0.819 119 L CB 0.937 43.039 42.059 0.071 0.000 1.212 119 L HN 0.324 nan 8.230 nan 0.000 0.420 120 Y N 5.868 126.161 120.300 -0.012 0.000 2.313 120 Y HA 0.542 5.093 4.550 0.002 0.000 0.332 120 Y C 0.156 176.016 175.900 -0.067 0.000 1.071 120 Y CA 0.060 58.133 58.100 -0.046 0.000 1.169 120 Y CB 1.303 39.751 38.460 -0.021 0.000 1.192 120 Y HN 0.549 nan 8.280 nan 0.000 0.487 121 I N 2.230 122.808 120.570 0.013 0.000 2.686 121 I HA 0.731 4.902 4.170 0.002 0.000 0.295 121 I C -0.822 175.234 176.117 -0.102 0.000 1.114 121 I CA -0.922 60.327 61.300 -0.084 0.000 1.038 121 I CB 1.390 39.276 38.000 -0.190 0.000 1.238 121 I HN 0.699 nan 8.210 nan 0.000 0.420 122 A N 8.378 131.131 122.820 -0.111 0.000 2.425 122 A HA 0.466 4.787 4.320 0.002 0.000 0.249 122 A C -1.919 175.568 177.584 -0.161 0.000 1.084 122 A CA -1.174 50.803 52.037 -0.100 0.000 0.781 122 A CB -0.142 18.813 19.000 -0.075 0.000 1.019 122 A HN 0.636 nan 8.150 nan 0.000 0.490 123 P HA -0.255 nan 4.420 nan 0.000 0.216 123 P C 1.006 178.199 177.300 -0.178 0.000 1.153 123 P CA 1.994 64.940 63.100 -0.257 0.000 0.858 123 P CB 0.057 31.537 31.700 -0.368 0.000 0.789 124 E N 0.235 120.360 120.200 -0.124 0.000 2.085 124 E HA -0.227 4.124 4.350 0.002 0.000 0.194 124 E C 2.191 178.727 176.600 -0.107 0.000 0.994 124 E CA 1.253 57.597 56.400 -0.092 0.000 0.801 124 E CB -1.037 28.625 29.700 -0.063 0.000 0.743 124 E HN 0.034 nan 8.360 nan 0.000 0.453 125 R N 0.337 120.746 120.500 -0.151 0.000 2.092 125 R HA 0.100 4.441 4.340 0.002 0.000 0.231 125 R C 0.812 176.922 176.300 -0.316 0.000 1.119 125 R CA 0.415 56.388 56.100 -0.211 0.000 0.970 125 R CB -0.733 29.416 30.300 -0.251 0.000 0.864 125 R HN 0.328 nan 8.270 nan 0.000 0.440 129 D N 2.665 123.122 120.400 0.095 0.000 2.686 129 D HA -0.172 4.469 4.640 0.002 0.000 0.235 129 D C 0.431 176.841 176.300 0.185 0.000 1.160 129 D CA 1.514 55.588 54.000 0.123 0.000 0.645 129 D CB -0.945 39.928 40.800 0.121 0.000 1.039 129 D HN 0.850 nan 8.370 nan 0.000 0.423 130 N N -1.513 117.272 118.700 0.141 0.000 2.701 130 N HA -0.316 4.425 4.740 0.002 0.000 0.252 130 N C 0.553 176.191 175.510 0.214 0.000 1.002 130 N CA 1.106 54.224 53.050 0.114 0.000 0.758 130 N CB -1.929 36.574 38.487 0.028 0.000 0.937 130 N HN 0.480 nan 8.380 nan 0.000 0.538 131 F N 0.322 120.340 119.950 0.113 0.000 2.171 131 F HA 0.040 4.568 4.527 0.001 0.000 0.300 131 F C 2.049 177.848 175.800 -0.003 0.000 1.090 131 F CA 1.329 59.389 58.000 0.100 0.000 1.293 131 F CB -0.020 39.001 39.000 0.034 0.000 1.013 131 F HN 0.239 nan 8.300 nan 0.000 0.486 132 L N -0.157 121.113 121.223 0.078 0.000 2.131 132 L HA -0.185 4.156 4.340 0.002 0.000 0.210 132 L C 2.336 179.097 176.870 -0.180 0.000 1.092 132 L CA 1.541 56.398 54.840 0.028 0.000 0.759 132 L CB -0.771 41.367 42.059 0.132 0.000 0.903 132 L HN 0.136 nan 8.230 nan 0.000 0.435 133 E N -0.333 119.709 120.200 -0.264 0.000 2.150 133 E HA -0.199 4.152 4.350 0.002 0.000 0.193 133 E C 2.167 178.358 176.600 -0.682 0.000 0.985 133 E CA 1.294 57.442 56.400 -0.420 0.000 0.814 133 E CB 0.001 29.495 29.700 -0.343 0.000 0.752 133 E HN 0.448 nan 8.360 nan 0.000 0.466 134 H N -0.560 118.119 119.070 -0.651 0.000 2.357 134 H HA -0.079 4.478 4.556 0.002 0.000 0.301 134 H C 2.097 176.392 175.328 -1.721 0.000 1.082 134 H CA 1.429 56.904 56.048 -0.955 0.000 1.342 134 H CB -0.275 28.925 29.762 -0.937 0.000 1.389 134 H HN 0.203 nan 8.280 nan 0.000 0.511 135 L N 1.389 121.754 121.223 -1.430 0.000 2.079 135 L HA -0.081 4.260 4.340 0.002 0.000 0.210 135 L C 2.519 179.024 176.870 -0.608 0.000 1.081 135 L CA 1.636 55.780 54.840 -1.160 0.000 0.752 135 L CB -0.760 40.928 42.059 -0.618 0.000 0.896 135 L HN 0.154 nan 8.230 nan 0.000 0.433 136 A N -1.379 121.193 122.820 -0.414 0.000 2.024 136 A HA -0.247 4.074 4.320 0.002 0.000 0.220 136 A C 1.852 179.295 177.584 -0.236 0.000 1.164 136 A CA 1.906 53.832 52.037 -0.185 0.000 0.643 136 A CB -1.085 17.773 19.000 -0.238 0.000 0.806 136 A HN 0.770 nan 8.150 nan 0.000 0.451 137 H N -3.521 115.418 119.070 -0.220 0.000 2.539 137 H HA 0.023 4.580 4.556 0.002 0.000 0.269 137 H C 0.296 175.731 175.328 0.178 0.000 0.980 137 H CA -0.130 55.892 56.048 -0.042 0.000 1.152 137 H CB 0.212 29.959 29.762 -0.026 0.000 1.407 137 H HN 0.648 nan 8.280 nan 0.000 0.564 138 W N 0.803 122.144 121.300 0.069 0.000 3.067 138 W HA 0.234 4.894 4.660 0.001 0.000 0.417 138 W C -0.102 176.426 176.519 0.015 0.000 1.029 138 W CA -1.032 56.334 57.345 0.035 0.000 1.992 138 W CB -1.376 28.083 29.460 -0.002 0.000 1.122 138 W HN 0.145 nan 8.180 nan 0.000 0.681 139 N N 0.246 119.070 118.700 0.206 0.000 2.738 139 N HA -0.166 4.575 4.740 0.002 0.000 0.249 139 N C -2.750 172.812 175.510 0.087 0.000 1.047 139 N CA -0.019 53.105 53.050 0.124 0.000 0.707 139 N CB -0.896 37.662 38.487 0.118 0.000 0.937 139 N HN -0.046 nan 8.380 nan 0.000 0.545 140 P HA 0.025 nan 4.420 nan 0.000 0.267 140 P C 0.264 177.561 177.300 -0.006 0.000 1.205 140 P CA 0.059 63.151 63.100 -0.014 0.000 0.765 140 P CB 1.558 33.166 31.700 -0.153 0.000 0.828 141 V N 2.991 122.907 119.914 0.003 0.000 3.612 141 V HA 0.177 4.298 4.120 0.002 0.000 0.268 141 V C 0.462 176.569 176.094 0.023 0.000 1.365 141 V CA 0.403 62.715 62.300 0.020 0.000 1.044 141 V CB 0.311 32.153 31.823 0.031 0.000 0.820 141 V HN 0.413 nan 8.190 nan 0.000 0.444 142 L N 0.229 121.454 121.223 0.003 0.000 2.565 142 L HA 0.607 4.948 4.340 0.002 0.000 0.261 142 L C -1.740 175.100 176.870 -0.051 0.000 0.932 142 L CA -0.299 54.548 54.840 0.012 0.000 0.878 142 L CB 2.110 44.184 42.059 0.024 0.000 1.333 142 L HN 0.048 nan 8.230 nan 0.000 0.409 143 L N 4.648 125.840 121.223 -0.052 0.000 2.343 143 L HA 0.940 5.281 4.340 0.002 0.000 0.278 143 L C -0.634 176.092 176.870 -0.241 0.000 0.996 143 L CA -0.246 54.460 54.840 -0.225 0.000 0.831 143 L CB 1.493 43.304 42.059 -0.413 0.000 1.232 143 L HN 0.888 nan 8.230 nan 0.000 0.413 144 A N 4.932 127.583 122.820 -0.282 0.000 2.304 144 A HA 0.706 5.027 4.320 0.002 0.000 0.323 144 A C -0.946 176.463 177.584 -0.292 0.000 1.195 144 A CA -0.483 51.394 52.037 -0.266 0.000 0.826 144 A CB 1.485 20.252 19.000 -0.388 0.000 1.184 144 A HN 0.436 nan 8.150 nan 0.000 0.496 145 V N 3.907 123.715 119.914 -0.178 0.000 2.311 145 V HA 0.200 4.321 4.120 0.002 0.000 0.275 145 V C -0.196 175.897 176.094 -0.001 0.000 1.022 145 V CA -0.566 61.660 62.300 -0.125 0.000 0.830 145 V CB 0.906 32.669 31.823 -0.100 0.000 1.012 145 V HN 0.938 nan 8.190 nan 0.000 0.452 146 D N 3.163 123.569 120.400 0.010 0.000 2.354 146 D HA 0.187 4.828 4.640 0.002 0.000 0.247 146 D C 0.640 177.037 176.300 0.162 0.000 1.138 146 D CA -0.021 54.043 54.000 0.107 0.000 0.958 146 D CB 0.883 41.755 40.800 0.120 0.000 1.144 146 D HN 0.575 nan 8.370 nan 0.000 0.458 147 E N 0.177 120.466 120.200 0.148 0.000 2.228 147 E HA -0.234 4.117 4.350 0.002 0.000 0.213 147 E C 0.322 176.816 176.600 -0.177 0.000 1.282 147 E CA 0.678 57.093 56.400 0.026 0.000 0.707 147 E CB -1.585 28.078 29.700 -0.062 0.000 1.150 147 E HN 0.481 nan 8.360 nan 0.000 0.362 148 A N 0.599 123.459 122.820 0.066 0.000 2.119 148 A HA -0.155 4.166 4.320 0.002 0.000 0.216 148 A C 1.805 179.408 177.584 0.031 0.000 1.152 148 A CA 1.264 53.369 52.037 0.113 0.000 0.708 148 A CB -0.564 18.534 19.000 0.164 0.000 0.805 148 A HN 0.613 nan 8.150 nan 0.000 0.460 149 H N -1.472 117.636 119.070 0.064 0.000 2.491 149 H HA -0.095 4.462 4.556 0.002 0.000 0.290 149 H C 1.706 177.018 175.328 -0.027 0.000 1.050 149 H CA 1.379 57.473 56.048 0.076 0.000 1.309 149 H CB -1.149 28.701 29.762 0.146 0.000 1.392 149 H HN 0.418 nan 8.280 nan 0.000 0.554 150 C N 1.087 119.912 119.300 -0.792 0.000 2.430 150 C HA 0.018 4.479 4.460 0.002 0.000 0.288 150 C C 2.707 177.442 174.990 -0.426 0.000 1.448 150 C CA 0.298 58.860 59.018 -0.760 0.000 1.784 150 C CB -1.460 25.449 27.740 -1.385 0.000 1.776 150 C HN 0.590 nan 8.230 nan 0.000 0.547 151 I N 0.077 120.591 120.570 -0.092 0.000 3.059 151 I HA -0.002 4.169 4.170 0.002 0.000 0.270 151 I C 1.130 177.453 176.117 0.344 0.000 1.238 151 I CA 0.541 61.958 61.300 0.195 0.000 1.478 151 I CB 0.040 38.198 38.000 0.264 0.000 1.097 151 I HN 0.220 nan 8.210 nan 0.000 0.455 152 S N 0.240 116.111 115.700 0.285 0.000 2.462 152 S HA 0.176 4.647 4.470 0.002 0.000 0.294 152 S C 0.835 175.507 174.600 0.120 0.000 1.144 152 S CA -0.652 57.678 58.200 0.216 0.000 1.088 152 S CB 1.243 64.584 63.200 0.236 0.000 1.009 152 S HN 0.229 nan 8.310 nan 0.000 0.484 153 Q N 2.982 122.575 119.800 -0.346 0.000 2.436 153 Q HA -0.041 4.300 4.340 0.002 0.000 0.209 153 Q C 0.617 176.346 176.000 -0.451 0.000 0.965 153 Q CA 1.016 56.414 55.803 -0.674 0.000 0.910 153 Q CB 0.037 28.140 28.738 -1.058 0.000 0.980 153 Q HN 0.902 nan 8.270 nan 0.000 0.491 154 W N 0.692 121.956 121.300 -0.060 0.000 2.905 154 W HA 0.142 4.803 4.660 0.003 0.000 0.251 154 W C 1.467 178.005 176.519 0.031 0.000 1.305 154 W CA -0.075 57.242 57.345 -0.047 0.000 1.465 154 W CB 0.017 29.435 29.460 -0.070 0.000 1.122 154 W HN 0.008 nan 8.180 nan 0.000 0.659 155 G N 0.181 109.144 108.800 0.272 0.000 2.553 155 G HA2 -0.021 3.940 3.960 0.002 0.000 0.278 155 G HA3 -0.021 3.940 3.960 0.002 0.000 0.278 155 G C 0.424 175.507 174.900 0.305 0.000 1.349 155 G CA -0.186 45.105 45.100 0.318 0.000 1.037 155 G HN 0.396 nan 8.290 nan 0.000 0.508 156 H N -1.490 117.709 119.070 0.214 0.000 2.549 156 H HA 0.220 4.777 4.556 0.002 0.000 0.279 156 H C -0.609 174.827 175.328 0.180 0.000 1.018 156 H CA 0.434 56.589 56.048 0.178 0.000 1.175 156 H CB 0.810 30.667 29.762 0.159 0.000 1.485 156 H HN 0.369 nan 8.280 nan 0.000 0.543 157 D N 0.524 120.822 120.400 -0.169 0.000 3.407 157 D HA 0.070 4.711 4.640 0.002 0.000 0.291 157 D C -1.216 175.020 176.300 -0.107 0.000 1.309 157 D CA -0.505 53.389 54.000 -0.176 0.000 0.747 157 D CB -0.723 39.876 40.800 -0.336 0.000 1.343 157 D HN 0.117 nan 8.370 nan 0.000 0.631 158 F N 1.785 121.655 119.950 -0.134 0.000 2.538 158 F HA 0.405 4.933 4.527 0.002 0.000 0.371 158 F C 0.083 175.803 175.800 -0.134 0.000 1.087 158 F CA 0.220 58.136 58.000 -0.141 0.000 1.250 158 F CB 0.419 39.355 39.000 -0.106 0.000 1.110 158 F HN -0.027 nan 8.300 nan 0.000 0.570 159 R N 7.395 127.333 120.500 -0.937 0.000 2.439 159 R HA 0.269 4.610 4.340 0.002 0.000 0.310 159 R C -2.028 173.699 176.300 -0.956 0.000 0.955 159 R CA -1.641 54.035 56.100 -0.708 0.000 0.853 159 R CB 1.447 31.495 30.300 -0.419 0.000 1.171 159 R HN 0.385 nan 8.270 nan 0.000 0.449 160 P HA -0.238 nan 4.420 nan 0.000 0.218 160 P C 0.877 178.070 177.300 -0.179 0.000 1.148 160 P CA 1.105 63.997 63.100 -0.347 0.000 0.822 160 P CB 0.288 31.934 31.700 -0.090 0.000 0.784 161 E N -1.032 119.094 120.200 -0.123 0.000 2.338 161 E HA -0.205 4.146 4.350 0.002 0.000 0.197 161 E C 1.455 178.029 176.600 -0.044 0.000 1.007 161 E CA 1.199 57.564 56.400 -0.057 0.000 0.849 161 E CB -1.163 28.515 29.700 -0.037 0.000 0.774 161 E HN 0.372 nan 8.360 nan 0.000 0.506 162 Y N 1.137 121.295 120.300 -0.238 0.000 2.395 162 Y HA 0.071 4.622 4.550 0.001 0.000 0.293 162 Y C 2.772 178.613 175.900 -0.098 0.000 1.123 162 Y CA 0.709 58.700 58.100 -0.180 0.000 1.227 162 Y CB 0.018 38.344 38.460 -0.222 0.000 1.012 162 Y HN 0.172 nan 8.280 nan 0.000 0.552 163 A N 0.396 123.245 122.820 0.049 0.000 1.917 163 A HA -0.264 4.057 4.320 0.002 0.000 0.219 163 A C 2.335 179.956 177.584 0.061 0.000 1.182 163 A CA 1.913 54.017 52.037 0.111 0.000 0.633 163 A CB -1.175 17.922 19.000 0.162 0.000 0.819 163 A HN 0.410 nan 8.150 nan 0.000 0.448 164 A N -0.534 122.296 122.820 0.015 0.000 2.172 164 A HA 0.093 4.414 4.320 0.002 0.000 0.216 164 A C 1.926 179.503 177.584 -0.011 0.000 1.154 164 A CA 1.120 53.159 52.037 0.003 0.000 0.701 164 A CB -0.614 18.378 19.000 -0.013 0.000 0.789 164 A HN 0.508 nan 8.150 nan 0.000 0.465 165 L N -0.808 120.386 121.223 -0.048 0.000 2.353 165 L HA -0.098 4.243 4.340 0.002 0.000 0.220 165 L C 2.509 179.392 176.870 0.021 0.000 1.133 165 L CA 0.656 55.455 54.840 -0.070 0.000 0.798 165 L CB -0.560 41.392 42.059 -0.179 0.000 0.922 165 L HN 0.475 nan 8.230 nan 0.000 0.445 166 G N -0.541 108.294 108.800 0.059 0.000 2.559 166 G HA2 -0.194 3.767 3.960 0.002 0.000 0.216 166 G HA3 -0.194 3.767 3.960 0.002 0.000 0.216 166 G C 1.420 176.379 174.900 0.098 0.000 1.126 166 G CA 0.112 45.269 45.100 0.095 0.000 0.778 166 G HN 0.460 nan 8.290 nan 0.000 0.543 167 Q N -0.518 119.329 119.800 0.079 0.000 2.424 167 Q HA 0.262 4.603 4.340 0.002 0.000 0.204 167 Q C 2.267 178.340 176.000 0.122 0.000 0.933 167 Q CA -0.098 55.749 55.803 0.073 0.000 0.929 167 Q CB 0.026 28.789 28.738 0.041 0.000 1.037 167 Q HN 0.425 nan 8.270 nan 0.000 0.511 168 L N 0.356 121.697 121.223 0.197 0.000 2.017 168 L HA -0.200 4.141 4.340 0.002 0.000 0.208 168 L C 2.544 179.721 176.870 0.511 0.000 1.073 168 L CA 1.085 56.148 54.840 0.371 0.000 0.745 168 L CB -0.356 41.865 42.059 0.270 0.000 0.894 168 L HN 0.161 nan 8.230 nan 0.000 0.432 169 R N 0.333 121.103 120.500 0.452 0.000 2.094 169 R HA -0.237 4.104 4.340 0.002 0.000 0.239 169 R C 2.289 178.613 176.300 0.041 0.000 1.137 169 R CA 1.807 57.971 56.100 0.106 0.000 0.943 169 R CB -0.871 29.430 30.300 0.001 0.000 0.850 169 R HN 0.284 nan 8.270 nan 0.000 0.433 170 Q N 0.175 120.000 119.800 0.043 0.000 2.096 170 Q HA -0.183 4.158 4.340 0.002 0.000 0.204 170 Q C 2.029 177.991 176.000 -0.063 0.000 0.982 170 Q CA 2.078 57.872 55.803 -0.014 0.000 0.850 170 Q CB -0.201 28.529 28.738 -0.013 0.000 0.901 170 Q HN 0.254 nan 8.270 nan 0.000 0.422 171 R N -0.909 119.539 120.500 -0.087 0.000 2.148 171 R HA -0.029 4.312 4.340 0.002 0.000 0.223 171 R C -0.029 175.945 176.300 -0.543 0.000 1.088 171 R CA 0.913 56.809 56.100 -0.339 0.000 0.985 171 R CB 0.050 30.093 30.300 -0.429 0.000 0.880 171 R HN 0.090 nan 8.270 nan 0.000 0.451 172 F N 0.541 120.511 119.950 0.034 0.000 2.622 172 F HA 0.387 4.915 4.527 0.001 0.000 0.338 172 F C -1.731 174.038 175.800 -0.051 0.000 1.334 172 F CA -2.436 55.580 58.000 0.026 0.000 1.179 172 F CB 2.054 41.130 39.000 0.127 0.000 1.471 172 F HN -0.029 nan 8.300 nan 0.000 0.576 173 P HA -0.105 nan 4.420 nan 0.000 0.221 173 P C 1.293 178.561 177.300 -0.053 0.000 1.150 173 P CA 1.368 64.441 63.100 -0.045 0.000 0.800 173 P CB 0.010 31.684 31.700 -0.044 0.000 0.787 174 T N -3.985 110.573 114.554 0.007 0.000 3.086 174 T HA 0.196 4.547 4.350 0.002 0.000 0.250 174 T C 0.540 175.249 174.700 0.014 0.000 1.074 174 T CA -0.376 61.725 62.100 0.002 0.000 0.988 174 T CB -0.583 68.298 68.868 0.022 0.000 0.988 174 T HN -0.120 nan 8.240 nan 0.000 0.530 175 L N 3.541 124.788 121.223 0.040 0.000 2.278 175 L HA 0.490 4.831 4.340 0.002 0.000 0.287 175 L C -2.756 174.136 176.870 0.037 0.000 1.072 175 L CA -2.489 52.400 54.840 0.081 0.000 0.819 175 L CB 0.655 42.832 42.059 0.197 0.000 1.176 175 L HN -0.127 nan 8.230 nan 0.000 0.435 176 P HA 0.151 nan 4.420 nan 0.000 0.267 176 P C -1.074 176.410 177.300 0.306 0.000 1.205 176 P CA 0.241 63.392 63.100 0.085 0.000 0.765 176 P CB 0.327 32.066 31.700 0.065 0.000 0.828 180 L N 0.970 122.266 121.223 0.122 0.000 2.401 180 L HA 0.984 5.325 4.340 0.002 0.000 0.266 180 L C 0.144 177.115 176.870 0.170 0.000 0.991 180 L CA -0.331 54.591 54.840 0.138 0.000 0.818 180 L CB 2.375 44.534 42.059 0.166 0.000 1.321 180 L HN 0.911 nan 8.230 nan 0.000 0.413 181 T N 0.001 114.651 114.554 0.159 0.000 2.886 181 T HA 0.646 4.997 4.350 0.002 0.000 0.330 181 T C -0.147 174.622 174.700 0.115 0.000 1.488 181 T CA 0.339 62.566 62.100 0.210 0.000 1.054 181 T CB 1.607 70.665 68.868 0.318 0.000 1.348 181 T HN 0.668 nan 8.240 nan 0.000 0.489 182 A N 1.793 124.675 122.820 0.103 0.000 2.197 182 A HA 0.465 4.786 4.320 0.002 0.000 0.210 182 A C 0.589 178.205 177.584 0.055 0.000 1.180 182 A CA 0.377 52.439 52.037 0.042 0.000 0.846 182 A CB 0.274 19.308 19.000 0.057 0.000 0.884 182 A HN 0.773 nan 8.150 nan 0.000 0.487 183 T N 0.584 115.163 114.554 0.042 0.000 3.078 183 T HA 0.641 4.992 4.350 0.002 0.000 0.328 183 T C -0.807 173.949 174.700 0.093 0.000 0.987 183 T CA 0.297 62.429 62.100 0.053 0.000 1.049 183 T CB 1.047 69.926 68.868 0.018 0.000 1.011 183 T HN 0.775 nan 8.240 nan 0.000 0.463 184 A N 3.248 126.213 122.820 0.242 0.000 2.456 184 A HA 0.678 4.999 4.320 0.002 0.000 0.288 184 A C -0.508 177.258 177.584 0.303 0.000 1.042 184 A CA -0.999 51.201 52.037 0.271 0.000 0.738 184 A CB 1.150 20.295 19.000 0.242 0.000 1.266 184 A HN 0.701 nan 8.150 nan 0.000 0.407 185 D N 1.281 121.795 120.400 0.190 0.000 2.440 185 D HA 0.162 4.803 4.640 0.002 0.000 0.269 185 D C 0.694 176.987 176.300 -0.011 0.000 1.249 185 D CA 0.052 54.057 54.000 0.008 0.000 1.055 185 D CB 0.354 40.917 40.800 -0.395 0.000 1.104 185 D HN 0.333 nan 8.370 nan 0.000 0.561 186 D N -0.814 119.532 120.400 -0.090 0.000 2.087 186 D HA -0.184 4.457 4.640 0.002 0.000 0.192 186 D C 1.809 178.064 176.300 -0.074 0.000 0.993 186 D CA 2.465 56.426 54.000 -0.065 0.000 0.828 186 D CB -0.468 40.272 40.800 -0.100 0.000 0.968 186 D HN 0.453 nan 8.370 nan 0.000 0.448 187 T N -0.790 113.676 114.554 -0.146 0.000 2.665 187 T HA -0.159 4.192 4.350 0.002 0.000 0.268 187 T C 1.934 176.602 174.700 -0.053 0.000 1.035 187 T CA 2.217 64.204 62.100 -0.189 0.000 1.151 187 T CB -0.755 67.901 68.868 -0.353 0.000 0.862 187 T HN 0.227 nan 8.240 nan 0.000 0.438 188 T N 1.790 116.364 114.554 0.034 0.000 2.746 188 T HA -0.049 4.302 4.350 0.002 0.000 0.267 188 T C 2.153 176.941 174.700 0.147 0.000 1.039 188 T CA 0.935 63.129 62.100 0.156 0.000 1.142 188 T CB -0.163 68.828 68.868 0.205 0.000 0.866 188 T HN 0.371 nan 8.240 nan 0.000 0.444 189 R N 0.985 121.553 120.500 0.113 0.000 2.083 189 R HA -0.091 4.250 4.340 0.002 0.000 0.237 189 R C 2.774 179.128 176.300 0.091 0.000 1.137 189 R CA 1.428 57.596 56.100 0.113 0.000 0.951 189 R CB -0.295 30.066 30.300 0.101 0.000 0.851 189 R HN 0.533 nan 8.270 nan 0.000 0.434 190 Q N 0.214 120.048 119.800 0.055 0.000 2.135 190 Q HA -0.201 4.140 4.340 0.002 0.000 0.204 190 Q C 1.619 177.664 176.000 0.075 0.000 0.981 190 Q CA 1.491 57.319 55.803 0.043 0.000 0.856 190 Q CB -0.128 28.608 28.738 -0.004 0.000 0.902 190 Q HN 0.268 nan 8.270 nan 0.000 0.425 191 D N 0.516 120.982 120.400 0.110 0.000 2.144 191 D HA -0.088 4.552 4.640 0.002 0.000 0.200 191 D C 1.669 178.063 176.300 0.157 0.000 0.978 191 D CA 0.744 54.844 54.000 0.165 0.000 0.833 191 D CB -0.021 40.947 40.800 0.279 0.000 0.961 191 D HN 0.162 nan 8.370 nan 0.000 0.470 192 I N -0.373 120.291 120.570 0.156 0.000 2.163 192 I HA -0.266 3.905 4.170 0.002 0.000 0.243 192 I C 2.397 178.595 176.117 0.135 0.000 1.085 192 I CA 0.637 62.029 61.300 0.155 0.000 1.347 192 I CB -0.213 37.883 38.000 0.160 0.000 1.044 192 I HN -0.050 nan 8.210 nan 0.000 0.408 193 V N 0.731 120.713 119.914 0.114 0.000 2.343 193 V HA -0.302 3.819 4.120 0.002 0.000 0.247 193 V C 2.626 178.776 176.094 0.093 0.000 1.051 193 V CA 2.060 64.418 62.300 0.098 0.000 1.036 193 V CB -0.795 31.073 31.823 0.075 0.000 0.654 193 V HN 0.416 nan 8.190 nan 0.000 0.451 194 R N -0.182 120.372 120.500 0.090 0.000 2.062 194 R HA -0.108 4.233 4.340 0.002 0.000 0.231 194 R C 2.305 178.661 176.300 0.095 0.000 1.136 194 R CA 1.646 57.795 56.100 0.082 0.000 0.948 194 R CB -0.279 30.069 30.300 0.080 0.000 0.845 194 R HN 0.445 nan 8.270 nan 0.000 0.430 195 L N 0.605 121.897 121.223 0.115 0.000 2.141 195 L HA -0.132 4.209 4.340 0.002 0.000 0.209 195 L C 2.202 179.150 176.870 0.130 0.000 1.094 195 L CA 0.907 55.819 54.840 0.120 0.000 0.763 195 L CB -0.188 41.954 42.059 0.139 0.000 0.908 195 L HN 0.259 nan 8.230 nan 0.000 0.437 196 L N -0.363 120.948 121.223 0.147 0.000 2.554 196 L HA 0.130 4.471 4.340 0.002 0.000 0.226 196 L C 1.260 178.261 176.870 0.219 0.000 1.137 196 L CA 0.426 55.380 54.840 0.190 0.000 0.863 196 L CB -0.436 41.744 42.059 0.201 0.000 0.985 196 L HN 0.465 nan 8.230 nan 0.000 0.451 197 G N 1.165 110.047 108.800 0.136 0.000 2.225 197 G HA2 -0.269 3.692 3.960 0.002 0.000 0.264 197 G HA3 -0.269 3.692 3.960 0.002 0.000 0.264 197 G C 0.103 175.027 174.900 0.040 0.000 1.060 197 G CA -0.293 44.854 45.100 0.078 0.000 0.833 197 G HN 0.220 nan 8.290 nan 0.000 0.498 198 L N 0.137 121.404 121.223 0.075 0.000 2.462 198 L HA 0.190 4.531 4.340 0.002 0.000 0.272 198 L C 0.267 177.140 176.870 0.005 0.000 1.166 198 L CA -0.548 54.322 54.840 0.049 0.000 0.880 198 L CB 0.357 42.468 42.059 0.086 0.000 1.142 198 L HN 0.095 nan 8.230 nan 0.000 0.473 199 N N 3.314 121.995 118.700 -0.031 0.000 2.439 199 N HA 0.028 4.769 4.740 0.002 0.000 0.243 199 N C -0.181 175.321 175.510 -0.013 0.000 1.088 199 N CA -0.189 52.842 53.050 -0.033 0.000 0.940 199 N CB 0.459 38.910 38.487 -0.061 0.000 1.180 199 N HN 0.479 nan 8.380 nan 0.000 0.505 200 D N 1.168 121.566 120.400 -0.003 0.000 2.894 200 D HA -0.138 4.503 4.640 0.002 0.000 0.216 200 D C -2.235 174.069 176.300 0.007 0.000 1.245 200 D CA 0.102 54.103 54.000 0.003 0.000 0.728 200 D CB -0.066 40.732 40.800 -0.002 0.000 0.924 200 D HN 0.350 nan 8.370 nan 0.000 0.395 201 P HA 0.181 nan 4.420 nan 0.000 0.279 201 P C 0.161 177.473 177.300 0.019 0.000 1.252 201 P CA -0.848 62.266 63.100 0.023 0.000 0.811 201 P CB 0.898 32.622 31.700 0.040 0.000 1.035 202 L N 2.742 123.975 121.223 0.017 0.000 2.410 202 L HA 0.276 4.617 4.340 0.002 0.000 0.273 202 L C -0.312 176.568 176.870 0.017 0.000 1.144 202 L CA -0.187 54.659 54.840 0.011 0.000 0.863 202 L CB -0.324 41.736 42.059 0.002 0.000 1.140 202 L HN 0.219 nan 8.230 nan 0.000 0.463 203 I N 5.351 125.931 120.570 0.016 0.000 2.330 203 I HA 0.198 4.369 4.170 0.002 0.000 0.286 203 I C -0.501 175.624 176.117 0.014 0.000 1.025 203 I CA -0.427 60.887 61.300 0.023 0.000 1.197 203 I CB 1.450 39.468 38.000 0.031 0.000 1.358 203 I HN 0.620 nan 8.210 nan 0.000 0.467 204 Q N 8.000 127.804 119.800 0.007 0.000 2.400 204 Q HA 0.488 4.829 4.340 0.002 0.000 0.255 204 Q C -1.200 174.790 176.000 -0.016 0.000 1.008 204 Q CA -0.105 55.691 55.803 -0.011 0.000 0.841 204 Q CB 0.850 29.571 28.738 -0.028 0.000 1.220 204 Q HN 0.600 nan 8.270 nan 0.000 0.474 205 I N 2.893 123.457 120.570 -0.011 0.000 2.330 205 I HA 0.311 4.482 4.170 0.002 0.000 0.286 205 I C 0.063 176.137 176.117 -0.073 0.000 1.025 205 I CA -0.527 60.758 61.300 -0.024 0.000 1.197 205 I CB 1.497 39.529 38.000 0.053 0.000 1.358 205 I HN 0.484 nan 8.210 nan 0.000 0.467 206 S N 3.284 118.890 115.700 -0.157 0.000 2.624 206 S HA 0.179 4.650 4.470 0.002 0.000 0.263 206 S C 0.371 174.830 174.600 -0.235 0.000 1.287 206 S CA -0.456 57.646 58.200 -0.164 0.000 0.990 206 S CB 1.268 64.371 63.200 -0.163 0.000 0.950 206 S HN 0.686 nan 8.310 nan 0.000 0.561 207 S N -0.362 115.255 115.700 -0.138 0.000 2.572 207 S HA 0.172 4.643 4.470 0.002 0.000 0.279 207 S C 0.381 174.863 174.600 -0.196 0.000 1.341 207 S CA -0.270 57.889 58.200 -0.068 0.000 1.043 207 S CB -0.207 63.004 63.200 0.018 0.000 0.887 207 S HN 0.500 nan 8.310 nan 0.000 0.516 208 F N 0.995 120.932 119.950 -0.021 0.000 2.789 208 F HA 0.216 4.743 4.527 0.001 0.000 0.300 208 F C 1.145 177.035 175.800 0.150 0.000 1.132 208 F CA -0.129 57.847 58.000 -0.041 0.000 1.404 208 F CB 0.088 38.913 39.000 -0.292 0.000 1.114 208 F HN 0.470 nan 8.300 nan 0.000 0.584 209 D N 1.473 122.028 120.400 0.260 0.000 2.358 209 D HA 0.042 4.683 4.640 0.002 0.000 0.258 209 D C -0.033 176.388 176.300 0.203 0.000 1.223 209 D CA 0.060 54.208 54.000 0.247 0.000 0.886 209 D CB 0.533 41.440 40.800 0.177 0.000 1.120 209 D HN -0.085 nan 8.370 nan 0.000 0.482 210 R N 5.829 126.477 120.500 0.247 0.000 2.346 210 R HA 0.209 4.550 4.340 0.002 0.000 0.309 210 R C -1.773 174.605 176.300 0.130 0.000 1.119 210 R CA -1.669 54.518 56.100 0.145 0.000 1.112 210 R CB 1.138 31.505 30.300 0.112 0.000 1.132 210 R HN 0.399 nan 8.270 nan 0.000 0.538 211 P HA -0.131 nan 4.420 nan 0.000 0.222 211 P C 0.627 177.960 177.300 0.054 0.000 1.147 211 P CA 1.058 64.212 63.100 0.090 0.000 0.790 211 P CB 0.255 31.999 31.700 0.072 0.000 0.780 212 N N -0.098 118.618 118.700 0.026 0.000 2.467 212 N HA -0.026 4.715 4.740 0.002 0.000 0.184 212 N C 0.475 175.965 175.510 -0.034 0.000 1.106 212 N CA 0.172 53.223 53.050 0.003 0.000 0.892 212 N CB -0.438 38.049 38.487 0.001 0.000 0.969 212 N HN 0.203 nan 8.380 nan 0.000 0.454 213 I N 1.705 122.226 120.570 -0.081 0.000 2.312 213 I HA 0.151 4.322 4.170 0.002 0.000 0.291 213 I C 0.618 176.552 176.117 -0.305 0.000 1.031 213 I CA -0.693 60.469 61.300 -0.230 0.000 1.293 213 I CB 0.956 38.712 38.000 -0.407 0.000 1.403 213 I HN -0.038 nan 8.210 nan 0.000 0.484 214 R N 6.718 127.098 120.500 -0.200 0.000 2.254 214 R HA 0.344 4.685 4.340 0.002 0.000 0.318 214 R C -1.309 174.907 176.300 -0.141 0.000 1.031 214 R CA -0.215 55.828 56.100 -0.095 0.000 0.905 214 R CB 0.693 30.994 30.300 0.002 0.000 1.050 214 R HN 0.414 nan 8.270 nan 0.000 0.456 220 K N 1.773 122.254 120.400 0.134 0.000 2.412 220 K HA 0.374 4.695 4.320 0.002 0.000 0.281 220 K C -0.853 175.868 176.600 0.201 0.000 1.027 220 K CA 0.223 56.587 56.287 0.130 0.000 0.989 220 K CB 0.487 32.979 32.500 -0.012 0.000 0.935 220 K HN 0.380 nan 8.250 nan 0.000 0.475 221 F N 3.184 123.155 119.950 0.036 0.000 3.240 221 F HA 0.137 4.665 4.527 0.002 0.000 0.370 221 F C -1.030 174.789 175.800 0.032 0.000 1.271 221 F CA -0.639 57.377 58.000 0.027 0.000 1.224 221 F CB 0.643 39.663 39.000 0.033 0.000 1.624 221 F HN 0.545 nan 8.300 nan 0.000 0.658 222 K N 5.386 125.504 120.400 -0.470 0.000 3.619 222 K HA -0.141 4.180 4.320 0.002 0.000 0.275 222 K C -2.278 174.273 176.600 -0.082 0.000 0.993 222 K CA 0.579 56.688 56.287 -0.298 0.000 0.787 222 K CB -0.608 31.683 32.500 -0.349 0.000 1.431 222 K HN 0.433 nan 8.250 nan 0.000 0.451 223 P HA -0.172 nan 4.420 nan 0.000 0.220 223 P C 1.249 178.598 177.300 0.082 0.000 1.148 223 P CA 1.037 64.140 63.100 0.006 0.000 0.803 223 P CB 0.162 31.816 31.700 -0.076 0.000 0.782 224 L N -0.094 121.169 121.223 0.066 0.000 2.093 224 L HA -0.133 4.208 4.340 0.002 0.000 0.208 224 L C 2.232 179.078 176.870 -0.040 0.000 1.085 224 L CA 1.546 56.367 54.840 -0.031 0.000 0.755 224 L CB -1.014 41.003 42.059 -0.069 0.000 0.904 224 L HN -0.082 nan 8.230 nan 0.000 0.435 225 D N -0.367 120.022 120.400 -0.019 0.000 2.149 225 D HA -0.161 4.480 4.640 0.002 0.000 0.201 225 D C 2.301 178.628 176.300 0.044 0.000 0.972 225 D CA 0.968 54.971 54.000 0.005 0.000 0.835 225 D CB -0.092 40.712 40.800 0.008 0.000 0.966 225 D HN 0.403 nan 8.370 nan 0.000 0.476 226 Q N -0.094 119.740 119.800 0.058 0.000 2.119 226 Q HA -0.070 4.271 4.340 0.002 0.000 0.201 226 Q C 1.075 177.153 176.000 0.130 0.000 0.972 226 Q CA 0.201 56.090 55.803 0.145 0.000 0.847 226 Q CB 0.019 28.896 28.738 0.232 0.000 0.903 226 Q HN 0.184 nan 8.270 nan 0.000 0.433 230 Y N 2.022 122.370 120.300 0.079 0.000 2.128 230 Y HA -0.191 4.360 4.550 0.001 0.000 0.284 230 Y C 1.885 177.742 175.900 -0.073 0.000 1.154 230 Y CA 2.470 60.599 58.100 0.049 0.000 1.149 230 Y CB -0.225 38.357 38.460 0.203 0.000 0.976 230 Y HN -0.028 nan 8.280 nan 0.000 0.505 231 V N 0.800 120.725 119.914 0.019 0.000 2.287 231 V HA -0.377 3.744 4.120 0.002 0.000 0.248 231 V C 2.277 178.301 176.094 -0.117 0.000 1.053 231 V CA 2.382 64.633 62.300 -0.081 0.000 1.027 231 V CB -0.796 31.079 31.823 0.086 0.000 0.646 231 V HN 0.500 nan 8.190 nan 0.000 0.447 232 Q N -0.331 119.434 119.800 -0.058 0.000 2.096 232 Q HA -0.272 4.069 4.340 0.002 0.000 0.204 232 Q C 2.169 178.110 176.000 -0.098 0.000 0.982 232 Q CA 1.917 57.689 55.803 -0.051 0.000 0.850 232 Q CB -0.227 28.501 28.738 -0.017 0.000 0.901 232 Q HN 0.708 nan 8.270 nan 0.000 0.422 233 E N 0.112 120.215 120.200 -0.162 0.000 2.409 233 E HA -0.139 4.212 4.350 0.002 0.000 0.198 233 E C 1.856 178.305 176.600 -0.253 0.000 1.024 233 E CA 0.327 56.613 56.400 -0.190 0.000 0.861 233 E CB 0.178 29.753 29.700 -0.207 0.000 0.788 233 E HN 0.274 nan 8.360 nan 0.000 0.521 234 Q N 0.262 119.861 119.800 -0.334 0.000 2.369 234 Q HA -0.006 4.335 4.340 0.002 0.000 0.206 234 Q C 0.141 176.091 176.000 -0.082 0.000 0.963 234 Q CA 0.346 55.994 55.803 -0.258 0.000 0.894 234 Q CB 0.060 28.609 28.738 -0.316 0.000 0.965 234 Q HN 0.225 nan 8.270 nan 0.000 0.475 235 R N -0.370 120.092 120.500 -0.063 0.000 3.264 235 R HA -0.249 4.092 4.340 0.002 0.000 0.251 235 R C 0.791 177.098 176.300 0.012 0.000 0.971 235 R CA 0.323 56.410 56.100 -0.022 0.000 0.658 235 R CB -2.358 27.926 30.300 -0.027 0.000 1.095 235 R HN 0.549 nan 8.270 nan 0.000 0.443 236 G N -0.612 108.211 108.800 0.038 0.000 2.195 236 G HA2 -0.355 3.606 3.960 0.002 0.000 0.246 236 G HA3 -0.355 3.606 3.960 0.002 0.000 0.246 236 G C 0.211 175.168 174.900 0.095 0.000 0.984 236 G CA 0.484 45.621 45.100 0.061 0.000 0.633 236 G HN 0.386 nan 8.290 nan 0.000 0.525 237 K N 1.743 122.217 120.400 0.124 0.000 2.436 237 K HA 0.413 4.734 4.320 0.002 0.000 0.275 237 K C 1.250 177.989 176.600 0.231 0.000 0.999 237 K CA 0.503 56.889 56.287 0.166 0.000 0.980 237 K CB 0.621 33.243 32.500 0.204 0.000 0.919 237 K HN 0.546 nan 8.250 nan 0.000 0.484 238 S N 0.698 116.462 115.700 0.106 0.000 2.579 238 S HA 0.523 4.994 4.470 0.002 0.000 0.275 238 S C 0.349 174.791 174.600 -0.262 0.000 1.345 238 S CA -0.426 57.794 58.200 0.033 0.000 1.031 238 S CB 1.349 64.525 63.200 -0.040 0.000 0.892 238 S HN 0.763 nan 8.310 nan 0.000 0.529 239 G N 0.250 108.779 108.800 -0.452 0.000 2.601 239 G HA2 0.563 4.524 3.960 0.002 0.000 0.291 239 G HA3 0.563 4.524 3.960 0.002 0.000 0.291 239 G C -1.592 172.942 174.900 -0.610 0.000 1.456 239 G CA -1.023 43.317 45.100 -1.267 0.000 0.804 239 G HN 0.775 nan 8.290 nan 0.000 0.499 240 I N 0.551 120.800 120.570 -0.535 0.000 2.433 240 I HA 0.461 4.632 4.170 0.002 0.000 0.292 240 I C -0.507 175.380 176.117 -0.384 0.000 1.001 240 I CA -0.728 60.268 61.300 -0.505 0.000 1.119 240 I CB 2.135 39.865 38.000 -0.449 0.000 1.289 240 I HN 0.198 nan 8.210 nan 0.000 0.438 241 I N 6.351 126.691 120.570 -0.382 0.000 2.354 241 I HA 0.276 4.447 4.170 0.002 0.000 0.286 241 I C -1.043 174.919 176.117 -0.258 0.000 1.007 241 I CA -0.609 60.605 61.300 -0.143 0.000 1.167 241 I CB 0.869 38.868 38.000 -0.002 0.000 1.320 241 I HN 0.383 nan 8.210 nan 0.000 0.458 242 Y N 5.055 125.329 120.300 -0.043 0.000 2.327 242 Y HA 0.384 4.935 4.550 0.002 0.000 0.336 242 Y C 0.301 176.249 175.900 0.080 0.000 1.035 242 Y CA -0.359 57.719 58.100 -0.036 0.000 1.165 242 Y CB 1.180 39.535 38.460 -0.175 0.000 1.181 242 Y HN 0.503 nan 8.280 nan 0.000 0.494 243 C N 2.198 121.648 119.300 0.249 0.000 2.779 243 C HA 0.258 4.719 4.460 0.002 0.000 0.314 243 C C 0.882 176.001 174.990 0.214 0.000 1.231 243 C CA -1.204 57.943 59.018 0.214 0.000 1.652 243 C CB 1.664 29.453 27.740 0.082 0.000 2.198 243 C HN 0.910 nan 8.230 nan 0.000 0.483 244 N N 0.185 119.008 118.700 0.205 0.000 2.314 244 N HA 0.073 4.814 4.740 0.002 0.000 0.200 244 N C -0.132 175.455 175.510 0.129 0.000 1.135 244 N CA 0.080 53.239 53.050 0.180 0.000 0.835 244 N CB 0.081 38.688 38.487 0.199 0.000 0.989 244 N HN 0.742 nan 8.380 nan 0.000 0.478 245 S N -1.838 113.915 115.700 0.088 0.000 2.556 245 S HA 0.394 4.865 4.470 0.002 0.000 0.271 245 S C 0.491 175.078 174.600 -0.022 0.000 1.135 245 S CA -1.039 57.183 58.200 0.036 0.000 0.858 245 S CB 2.422 65.637 63.200 0.025 0.000 1.114 245 S HN 0.113 nan 8.310 nan 0.000 0.468 246 R N 0.996 121.443 120.500 -0.088 0.000 2.081 246 R HA -0.055 4.286 4.340 0.002 0.000 0.235 246 R C 2.171 178.355 176.300 -0.194 0.000 1.131 246 R CA 1.884 57.839 56.100 -0.241 0.000 0.960 246 R CB -0.997 29.084 30.300 -0.364 0.000 0.856 246 R HN 0.841 nan 8.270 nan 0.000 0.436 247 A N 1.174 123.919 122.820 -0.124 0.000 1.902 247 A HA -0.174 4.147 4.320 0.002 0.000 0.217 247 A C 2.014 179.542 177.584 -0.092 0.000 1.181 247 A CA 1.645 53.624 52.037 -0.097 0.000 0.623 247 A CB -0.366 18.591 19.000 -0.071 0.000 0.818 247 A HN 0.374 nan 8.150 nan 0.000 0.443 248 K N -0.505 119.845 120.400 -0.083 0.000 2.026 248 K HA -0.091 4.230 4.320 0.002 0.000 0.208 248 K C 1.915 178.444 176.600 -0.118 0.000 1.048 248 K CA 1.457 57.677 56.287 -0.111 0.000 0.929 248 K CB -0.411 32.039 32.500 -0.084 0.000 0.713 248 K HN 0.304 nan 8.250 nan 0.000 0.439 249 V N 1.802 121.668 119.914 -0.080 0.000 2.255 249 V HA -0.282 3.839 4.120 0.002 0.000 0.247 249 V C 2.056 178.114 176.094 -0.060 0.000 1.051 249 V CA 1.896 64.161 62.300 -0.059 0.000 1.018 249 V CB -0.414 31.410 31.823 0.001 0.000 0.641 249 V HN 0.359 nan 8.190 nan 0.000 0.445 250 E N -0.327 119.837 120.200 -0.059 0.000 2.072 250 E HA -0.223 4.128 4.350 0.002 0.000 0.191 250 E C 1.988 178.554 176.600 -0.058 0.000 0.985 250 E CA 1.433 57.810 56.400 -0.038 0.000 0.801 250 E CB -0.191 29.484 29.700 -0.042 0.000 0.750 250 E HN 0.597 nan 8.360 nan 0.000 0.452 251 D N -0.136 120.216 120.400 -0.080 0.000 2.144 251 D HA -0.086 4.555 4.640 0.002 0.000 0.200 251 D C 1.915 178.152 176.300 -0.105 0.000 0.978 251 D CA 1.133 55.081 54.000 -0.088 0.000 0.833 251 D CB -0.337 40.403 40.800 -0.100 0.000 0.961 251 D HN 0.062 nan 8.370 nan 0.000 0.470 252 T N 0.405 114.880 114.554 -0.132 0.000 2.777 252 T HA -0.062 4.289 4.350 0.002 0.000 0.266 252 T C 1.996 176.636 174.700 -0.100 0.000 1.040 252 T CA 1.288 63.300 62.100 -0.146 0.000 1.141 252 T CB -0.212 68.539 68.868 -0.194 0.000 0.868 252 T HN 0.169 nan 8.240 nan 0.000 0.444 253 A N 1.438 124.207 122.820 -0.085 0.000 1.933 253 A HA 0.175 4.496 4.320 0.002 0.000 0.218 253 A C 2.619 180.171 177.584 -0.053 0.000 1.175 253 A CA 1.752 53.747 52.037 -0.069 0.000 0.628 253 A CB -1.016 17.945 19.000 -0.064 0.000 0.814 253 A HN 0.498 nan 8.150 nan 0.000 0.444 254 A N -0.137 122.653 122.820 -0.051 0.000 1.898 254 A HA -0.143 4.178 4.320 0.002 0.000 0.216 254 A C 2.239 179.799 177.584 -0.041 0.000 1.181 254 A CA 1.483 53.495 52.037 -0.041 0.000 0.620 254 A CB -0.435 18.541 19.000 -0.040 0.000 0.819 254 A HN 0.547 nan 8.150 nan 0.000 0.442 255 R N -0.538 119.931 120.500 -0.052 0.000 2.092 255 R HA -0.012 4.329 4.340 0.002 0.000 0.231 255 R C 2.028 178.307 176.300 -0.035 0.000 1.119 255 R CA 1.364 57.436 56.100 -0.048 0.000 0.970 255 R CB -0.492 29.769 30.300 -0.064 0.000 0.864 255 R HN 0.504 nan 8.270 nan 0.000 0.440 256 L N 0.535 121.738 121.223 -0.035 0.000 2.027 256 L HA -0.204 4.137 4.340 0.002 0.000 0.206 256 L C 2.454 179.317 176.870 -0.013 0.000 1.074 256 L CA 1.450 56.280 54.840 -0.017 0.000 0.745 256 L CB -0.433 41.617 42.059 -0.015 0.000 0.898 256 L HN 0.202 nan 8.230 nan 0.000 0.433 257 Q N -0.300 119.488 119.800 -0.020 0.000 2.170 257 Q HA -0.199 4.142 4.340 0.002 0.000 0.203 257 Q C 2.432 178.425 176.000 -0.012 0.000 0.976 257 Q CA 1.850 57.644 55.803 -0.015 0.000 0.858 257 Q CB -0.194 28.533 28.738 -0.019 0.000 0.907 257 Q HN 0.603 nan 8.270 nan 0.000 0.433 258 S N 0.278 115.969 115.700 -0.016 0.000 2.423 258 S HA -0.076 4.395 4.470 0.002 0.000 0.231 258 S C 1.491 176.085 174.600 -0.010 0.000 1.014 258 S CA 0.754 58.945 58.200 -0.014 0.000 0.965 258 S CB 0.099 63.288 63.200 -0.019 0.000 0.785 258 S HN 0.079 nan 8.310 nan 0.000 0.495 259 K N 0.948 121.343 120.400 -0.008 0.000 2.410 259 K HA 0.317 4.638 4.320 0.002 0.000 0.200 259 K C 1.226 177.826 176.600 0.001 0.000 1.023 259 K CA 0.471 56.757 56.287 -0.003 0.000 1.149 259 K CB -0.261 32.238 32.500 -0.002 0.000 0.859 259 K HN 0.601 nan 8.250 nan 0.000 0.514 260 G N 1.516 110.317 108.800 0.001 0.000 2.143 260 G HA2 -0.257 3.704 3.960 0.002 0.000 0.249 260 G HA3 -0.257 3.704 3.960 0.002 0.000 0.249 260 G C 0.125 175.031 174.900 0.009 0.000 0.981 260 G CA -0.141 44.962 45.100 0.004 0.000 0.665 260 G HN 0.316 nan 8.290 nan 0.000 0.528 261 I N 1.420 121.997 120.570 0.010 0.000 2.365 261 I HA 0.369 4.540 4.170 0.002 0.000 0.291 261 I C 1.032 177.158 176.117 0.014 0.000 1.004 261 I CA -0.334 60.977 61.300 0.019 0.000 1.311 261 I CB 1.790 39.806 38.000 0.027 0.000 1.401 261 I HN 0.105 nan 8.210 nan 0.000 0.491 262 S N 5.936 121.649 115.700 0.022 0.000 2.686 262 S HA 0.523 4.994 4.470 0.002 0.000 0.324 262 S C -0.152 174.453 174.600 0.008 0.000 1.172 262 S CA -0.516 57.695 58.200 0.018 0.000 1.127 262 S CB -0.559 62.661 63.200 0.032 0.000 1.338 262 S HN 0.657 nan 8.310 nan 0.000 0.547 263 A N 3.690 126.499 122.820 -0.017 0.000 2.435 263 A HA 0.941 5.262 4.320 0.002 0.000 0.304 263 A C -0.470 177.070 177.584 -0.074 0.000 1.064 263 A CA -0.517 51.486 52.037 -0.057 0.000 0.727 263 A CB 1.720 20.690 19.000 -0.050 0.000 1.284 263 A HN 1.107 nan 8.150 nan 0.000 0.415 264 A N 0.308 123.053 122.820 -0.126 0.000 2.498 264 A HA 0.891 5.212 4.320 0.002 0.000 0.298 264 A C -0.056 177.446 177.584 -0.137 0.000 1.075 264 A CA -0.041 51.932 52.037 -0.106 0.000 0.714 264 A CB 1.282 20.233 19.000 -0.082 0.000 1.299 264 A HN 2.378 nan 8.150 nan 0.000 0.407 265 A N 0.229 123.001 122.820 -0.080 0.000 2.327 265 A HA 0.649 4.970 4.320 0.002 0.000 0.283 265 A C -1.103 176.457 177.584 -0.039 0.000 1.127 265 A CA -0.164 51.848 52.037 -0.041 0.000 0.810 265 A CB 0.263 19.289 19.000 0.042 0.000 1.066 265 A HN 1.479 nan 8.150 nan 0.000 0.492 266 Y N 3.846 124.055 120.300 -0.150 0.000 2.354 266 Y HA 0.554 5.105 4.550 0.002 0.000 0.330 266 Y C -0.349 175.551 175.900 0.001 0.000 1.011 266 Y CA -0.509 57.496 58.100 -0.157 0.000 1.099 266 Y CB 1.181 39.511 38.460 -0.216 0.000 1.179 266 Y HN 0.935 nan 8.280 nan 0.000 0.442 267 H N 2.411 121.357 119.070 -0.208 0.000 2.967 267 H HA 0.569 5.126 4.556 0.002 0.000 0.318 267 H C -0.511 174.717 175.328 -0.167 0.000 1.375 267 H CA -0.461 55.556 56.048 -0.051 0.000 1.132 267 H CB 1.264 31.026 29.762 -0.001 0.000 1.848 267 H HN 0.580 nan 8.280 nan 0.000 0.524 268 A N 0.330 123.221 122.820 0.118 0.000 2.172 268 A HA 0.027 4.348 4.320 0.002 0.000 0.216 268 A C 2.060 179.679 177.584 0.057 0.000 1.154 268 A CA 1.470 53.538 52.037 0.053 0.000 0.701 268 A CB -1.096 17.965 19.000 0.101 0.000 0.789 268 A HN 0.816 nan 8.150 nan 0.000 0.465 269 G N -0.855 108.089 108.800 0.240 0.000 2.813 269 G HA2 0.300 4.261 3.960 0.002 0.000 0.209 269 G HA3 0.300 4.261 3.960 0.002 0.000 0.209 269 G C 0.552 175.456 174.900 0.006 0.000 1.150 269 G CA -0.198 45.021 45.100 0.199 0.000 0.785 269 G HN 0.412 nan 8.290 nan 0.000 0.535 270 L N 0.811 121.873 121.223 -0.269 0.000 2.418 270 L HA 0.302 4.643 4.340 0.002 0.000 0.265 270 L C 0.363 177.126 176.870 -0.177 0.000 1.143 270 L CA -0.916 53.746 54.840 -0.295 0.000 0.809 270 L CB 0.840 42.602 42.059 -0.496 0.000 1.124 270 L HN 0.020 nan 8.230 nan 0.000 0.456 271 E N 1.352 121.477 120.200 -0.124 0.000 2.404 271 E HA -0.007 4.344 4.350 0.002 0.000 0.261 271 E C 0.522 177.071 176.600 -0.085 0.000 1.074 271 E CA -0.065 56.287 56.400 -0.079 0.000 0.917 271 E CB 0.579 30.247 29.700 -0.053 0.000 0.965 271 E HN 0.443 nan 8.360 nan 0.000 0.433 272 N N 2.009 120.678 118.700 -0.052 0.000 2.104 272 N HA -0.227 4.514 4.740 0.002 0.000 0.190 272 N C 1.407 176.904 175.510 -0.022 0.000 1.024 272 N CA 1.734 54.763 53.050 -0.035 0.000 0.853 272 N CB -0.388 38.090 38.487 -0.014 0.000 1.008 272 N HN 0.609 nan 8.380 nan 0.000 0.424 273 N N 0.126 118.813 118.700 -0.021 0.000 2.188 273 N HA -0.082 4.659 4.740 0.002 0.000 0.184 273 N C 1.466 176.969 175.510 -0.012 0.000 1.018 273 N CA 0.971 54.015 53.050 -0.009 0.000 0.858 273 N CB -0.363 38.119 38.487 -0.008 0.000 0.989 273 N HN -0.091 nan 8.380 nan 0.000 0.426 274 V N 0.808 120.698 119.914 -0.040 0.000 2.358 274 V HA -0.148 3.973 4.120 0.002 0.000 0.246 274 V C 2.553 178.616 176.094 -0.051 0.000 1.047 274 V CA 1.661 63.929 62.300 -0.053 0.000 1.035 274 V CB -0.655 31.113 31.823 -0.092 0.000 0.658 274 V HN 0.333 nan 8.190 nan 0.000 0.452 275 R N 0.472 120.913 120.500 -0.097 0.000 2.083 275 R HA -0.162 4.179 4.340 0.002 0.000 0.237 275 R C 2.455 178.855 176.300 0.167 0.000 1.137 275 R CA 1.648 57.710 56.100 -0.063 0.000 0.951 275 R CB -0.739 29.471 30.300 -0.151 0.000 0.851 275 R HN 0.521 nan 8.270 nan 0.000 0.434 276 A N 1.132 124.011 122.820 0.098 0.000 1.933 276 A HA -0.238 4.083 4.320 0.002 0.000 0.218 276 A C 1.790 179.437 177.584 0.105 0.000 1.175 276 A CA 1.931 54.032 52.037 0.106 0.000 0.628 276 A CB -0.513 18.522 19.000 0.059 0.000 0.814 276 A HN 0.306 nan 8.150 nan 0.000 0.444 277 D N -0.650 119.797 120.400 0.078 0.000 2.097 277 D HA -0.109 4.532 4.640 0.002 0.000 0.197 277 D C 1.829 178.191 176.300 0.103 0.000 0.984 277 D CA 1.447 55.489 54.000 0.069 0.000 0.826 277 D CB -0.079 40.744 40.800 0.038 0.000 0.973 277 D HN 0.129 nan 8.370 nan 0.000 0.460 278 V N 0.419 120.412 119.914 0.132 0.000 2.295 278 V HA -0.247 3.874 4.120 0.002 0.000 0.246 278 V C 2.556 178.800 176.094 0.249 0.000 1.049 278 V CA 2.059 64.462 62.300 0.172 0.000 1.024 278 V CB -0.674 31.278 31.823 0.216 0.000 0.648 278 V HN 0.346 nan 8.190 nan 0.000 0.447 279 Q N -0.101 119.877 119.800 0.297 0.000 2.061 279 Q HA -0.298 4.043 4.340 0.002 0.000 0.204 279 Q C 2.346 178.468 176.000 0.204 0.000 0.984 279 Q CA 2.373 58.340 55.803 0.272 0.000 0.846 279 Q CB -0.168 28.681 28.738 0.186 0.000 0.902 279 Q HN 0.770 nan 8.270 nan 0.000 0.421 280 E N -0.364 119.920 120.200 0.141 0.000 2.072 280 E HA -0.197 4.153 4.350 0.002 0.000 0.191 280 E C 1.844 178.504 176.600 0.099 0.000 0.985 280 E CA 0.951 57.407 56.400 0.092 0.000 0.801 280 E CB 0.187 29.925 29.700 0.063 0.000 0.750 280 E HN 0.140 nan 8.360 nan 0.000 0.452 281 K N 0.178 120.651 120.400 0.122 0.000 2.097 281 K HA -0.145 4.176 4.320 0.002 0.000 0.206 281 K C 1.946 178.653 176.600 0.178 0.000 1.049 281 K CA 0.781 57.139 56.287 0.117 0.000 0.933 281 K CB -0.554 32.007 32.500 0.101 0.000 0.717 281 K HN 0.206 nan 8.250 nan 0.000 0.442 282 F N 2.608 122.582 119.950 0.040 0.000 2.163 282 F HA -0.118 4.410 4.527 0.002 0.000 0.297 282 F C 2.246 178.059 175.800 0.021 0.000 1.094 282 F CA 1.299 59.320 58.000 0.035 0.000 1.290 282 F CB -0.335 38.719 39.000 0.090 0.000 1.017 282 F HN 0.070 nan 8.300 nan 0.000 0.483 283 Q N -0.156 119.651 119.800 0.010 0.000 2.112 283 Q HA -0.215 4.126 4.340 0.002 0.000 0.206 283 Q C 2.034 177.968 176.000 -0.111 0.000 0.987 283 Q CA 1.890 57.627 55.803 -0.109 0.000 0.858 283 Q CB -0.292 28.427 28.738 -0.032 0.000 0.905 283 Q HN 0.404 nan 8.270 nan 0.000 0.420 284 R N 0.446 120.920 120.500 -0.044 0.000 2.313 284 R HA -0.019 4.322 4.340 0.002 0.000 0.199 284 R C -0.333 175.942 176.300 -0.041 0.000 0.958 284 R CA 0.303 56.381 56.100 -0.036 0.000 1.047 284 R CB 0.297 30.594 30.300 -0.005 0.000 0.955 284 R HN 0.190 nan 8.270 nan 0.000 0.481 285 D N 0.489 120.853 120.400 -0.059 0.000 2.907 285 D HA -0.172 4.469 4.640 0.002 0.000 0.226 285 D C -0.101 176.208 176.300 0.015 0.000 1.141 285 D CA 0.907 54.884 54.000 -0.039 0.000 0.779 285 D CB -0.762 40.002 40.800 -0.061 0.000 1.095 285 D HN 0.328 nan 8.370 nan 0.000 0.430 286 D N -0.133 120.291 120.400 0.040 0.000 2.194 286 D HA 0.028 4.669 4.640 0.002 0.000 0.204 286 D C 1.306 177.648 176.300 0.070 0.000 0.964 286 D CA 0.577 54.605 54.000 0.047 0.000 0.846 286 D CB 0.655 41.482 40.800 0.045 0.000 0.962 286 D HN 0.344 nan 8.370 nan 0.000 0.490 287 L N 1.179 122.475 121.223 0.122 0.000 2.309 287 L HA 0.202 4.543 4.340 0.002 0.000 0.282 287 L C 1.486 178.478 176.870 0.203 0.000 1.036 287 L CA -0.299 54.629 54.840 0.146 0.000 0.806 287 L CB 2.489 44.648 42.059 0.166 0.000 1.220 287 L HN -0.190 nan 8.230 nan 0.000 0.429 288 Q N 2.817 122.699 119.800 0.136 0.000 2.123 288 Q HA 0.166 4.507 4.340 0.002 0.000 0.196 288 Q C -0.043 176.069 176.000 0.186 0.000 0.958 288 Q CA 0.927 56.820 55.803 0.150 0.000 0.841 288 Q CB 0.521 29.323 28.738 0.106 0.000 0.915 288 Q HN 0.574 nan 8.270 nan 0.000 0.455 289 I N 0.756 121.347 120.570 0.036 0.000 2.582 289 I HA 0.292 4.463 4.170 0.002 0.000 0.292 289 I C -1.239 174.615 176.117 -0.439 0.000 1.066 289 I CA -0.977 60.230 61.300 -0.155 0.000 1.053 289 I CB 2.535 40.505 38.000 -0.049 0.000 1.241 289 I HN -0.204 nan 8.210 nan 0.000 0.421 290 V N 6.432 125.834 119.914 -0.853 0.000 2.384 290 V HA 0.363 4.484 4.120 0.002 0.000 0.287 290 V C -0.191 175.455 176.094 -0.747 0.000 1.020 290 V CA -0.701 61.016 62.300 -0.972 0.000 0.850 290 V CB 1.865 32.670 31.823 -1.696 0.000 0.987 290 V HN 0.373 nan 8.190 nan 0.000 0.436 291 V N 4.550 124.175 119.914 -0.481 0.000 2.383 291 V HA 0.874 4.995 4.120 0.002 0.000 0.275 291 V C 0.376 176.292 176.094 -0.296 0.000 1.036 291 V CA -0.105 61.996 62.300 -0.332 0.000 0.889 291 V CB 1.018 32.731 31.823 -0.184 0.000 0.985 291 V HN 1.032 nan 8.190 nan 0.000 0.459 292 A N 3.511 126.163 122.820 -0.279 0.000 2.594 292 A HA 0.890 5.211 4.320 0.002 0.000 0.291 292 A C 0.020 177.698 177.584 0.157 0.000 1.105 292 A CA -0.224 51.769 52.037 -0.074 0.000 0.694 292 A CB 1.771 20.619 19.000 -0.253 0.000 1.291 292 A HN 0.824 nan 8.150 nan 0.000 0.410 293 T N -1.342 113.378 114.554 0.277 0.000 2.793 293 T HA 0.394 4.745 4.350 0.002 0.000 0.299 293 T C 1.314 176.263 174.700 0.415 0.000 1.038 293 T CA 0.298 62.579 62.100 0.302 0.000 0.948 293 T CB -0.015 69.001 68.868 0.247 0.000 1.231 293 T HN 1.673 nan 8.240 nan 0.000 0.538 294 V N -1.708 118.386 119.914 0.301 0.000 3.241 294 V HA 0.160 4.281 4.120 0.002 0.000 0.269 294 V C 2.648 178.896 176.094 0.256 0.000 1.151 294 V CA 1.058 63.489 62.300 0.218 0.000 1.158 294 V CB -2.171 29.721 31.823 0.114 0.000 0.764 294 V HN 0.980 nan 8.190 nan 0.000 0.508 295 A N 0.375 123.384 122.820 0.315 0.000 1.969 295 A HA -0.014 4.307 4.320 0.002 0.000 0.218 295 A C 1.570 179.390 177.584 0.394 0.000 1.169 295 A CA 1.216 53.453 52.037 0.333 0.000 0.635 295 A CB -0.667 18.550 19.000 0.361 0.000 0.810 295 A HN 0.704 nan 8.150 nan 0.000 0.445 296 F N 1.607 121.691 119.950 0.223 0.000 2.669 296 F HA 0.485 5.013 4.527 0.002 0.000 0.353 296 F C 0.932 176.768 175.800 0.059 0.000 1.192 296 F CA -0.633 57.297 58.000 -0.117 0.000 1.317 296 F CB -0.659 38.065 39.000 -0.460 0.000 1.652 296 F HN 0.127 nan 8.300 nan 0.000 0.608 300 I N 2.211 122.662 120.570 -0.199 0.000 2.277 300 I HA 0.020 4.191 4.170 0.002 0.000 0.243 300 I C 1.035 177.069 176.117 -0.138 0.000 1.094 300 I CA 1.455 62.646 61.300 -0.180 0.000 1.393 300 I CB -0.515 37.317 38.000 -0.280 0.000 1.078 300 I HN 0.381 nan 8.210 nan 0.000 0.417 301 N N 3.225 121.827 118.700 -0.163 0.000 2.985 301 N HA -0.293 4.448 4.740 0.002 0.000 0.303 301 N C -0.117 175.338 175.510 -0.092 0.000 1.067 301 N CA 0.950 53.936 53.050 -0.107 0.000 0.835 301 N CB -1.193 37.248 38.487 -0.077 0.000 0.965 301 N HN 0.638 nan 8.380 nan 0.000 0.616 302 K N 2.127 122.457 120.400 -0.116 0.000 2.485 302 K HA 0.043 4.364 4.320 0.002 0.000 0.277 302 K C -1.492 175.033 176.600 -0.124 0.000 0.990 302 K CA -0.903 55.290 56.287 -0.156 0.000 0.994 302 K CB 0.688 33.006 32.500 -0.304 0.000 0.906 302 K HN 0.229 nan 8.250 nan 0.000 0.488 303 P HA -0.088 nan 4.420 nan 0.000 0.229 303 P C -0.454 176.798 177.300 -0.080 0.000 1.160 303 P CA 0.940 63.997 63.100 -0.071 0.000 0.777 303 P CB -0.028 31.644 31.700 -0.047 0.000 0.814 304 N N -0.396 118.232 118.700 -0.119 0.000 2.610 304 N HA 0.098 4.839 4.740 0.002 0.000 0.309 304 N C -0.776 174.649 175.510 -0.142 0.000 1.536 304 N CA -0.637 52.347 53.050 -0.110 0.000 0.954 304 N CB -0.270 38.155 38.487 -0.103 0.000 1.310 304 N HN -0.207 nan 8.380 nan 0.000 0.502 305 V N 1.686 121.525 119.914 -0.126 0.000 2.455 305 V HA 0.175 4.296 4.120 0.002 0.000 0.273 305 V C 1.480 177.549 176.094 -0.042 0.000 1.045 305 V CA -0.406 61.835 62.300 -0.099 0.000 0.976 305 V CB 1.102 32.911 31.823 -0.023 0.000 0.993 305 V HN 0.335 nan 8.190 nan 0.000 0.475 306 R N 3.723 124.209 120.500 -0.023 0.000 2.161 306 R HA 0.138 4.479 4.340 0.002 0.000 0.213 306 R C 0.240 176.663 176.300 0.204 0.000 1.055 306 R CA 0.797 56.947 56.100 0.083 0.000 0.996 306 R CB 0.090 30.471 30.300 0.136 0.000 0.901 306 R HN 0.730 nan 8.270 nan 0.000 0.456 307 F N -2.889 117.122 119.950 0.102 0.000 2.631 307 F HA 0.625 5.153 4.527 0.001 0.000 0.308 307 F C -1.152 174.733 175.800 0.141 0.000 1.097 307 F CA -1.430 56.652 58.000 0.137 0.000 0.952 307 F CB 1.408 40.540 39.000 0.220 0.000 1.307 307 F HN -0.399 nan 8.300 nan 0.000 0.450 308 V N 3.288 123.414 119.914 0.353 0.000 2.525 308 V HA 0.547 4.668 4.120 0.002 0.000 0.299 308 V C -0.855 175.458 176.094 0.365 0.000 1.034 308 V CA -0.762 61.687 62.300 0.247 0.000 0.863 308 V CB 1.687 33.628 31.823 0.197 0.000 0.999 308 V HN 0.811 nan 8.190 nan 0.000 0.423 309 V N 4.626 124.752 119.914 0.353 0.000 2.483 309 V HA 0.481 4.602 4.120 0.002 0.000 0.295 309 V C -0.330 175.925 176.094 0.268 0.000 1.035 309 V CA -0.643 61.858 62.300 0.335 0.000 0.896 309 V CB 1.681 33.752 31.823 0.413 0.000 0.986 309 V HN 0.771 nan 8.190 nan 0.000 0.447 310 H N 4.461 123.765 119.070 0.390 0.000 2.581 310 H HA 0.225 4.782 4.556 0.002 0.000 0.308 310 H C 0.184 175.792 175.328 0.467 0.000 1.040 310 H CA -0.235 56.065 56.048 0.419 0.000 1.231 310 H CB 1.569 31.555 29.762 0.373 0.000 1.396 310 H HN 0.723 nan 8.280 nan 0.000 0.467 311 F N 2.121 122.297 119.950 0.377 0.000 2.367 311 F HA -0.017 4.511 4.527 0.002 0.000 0.298 311 F C 0.161 176.129 175.800 0.280 0.000 1.094 311 F CA 0.514 58.693 58.000 0.297 0.000 1.409 311 F CB 0.654 39.720 39.000 0.109 0.000 1.064 311 F HN 0.409 nan 8.300 nan 0.000 0.528 312 D N 0.713 121.333 120.400 0.366 0.000 2.505 312 D HA 0.210 4.851 4.640 0.002 0.000 0.249 312 D C -0.517 175.962 176.300 0.299 0.000 1.082 312 D CA -0.435 53.726 54.000 0.269 0.000 0.839 312 D CB 2.473 43.451 40.800 0.297 0.000 1.317 312 D HN 0.017 nan 8.370 nan 0.000 0.497 313 I N 2.468 123.184 120.570 0.243 0.000 2.648 313 I HA 0.072 4.243 4.170 0.002 0.000 0.284 313 I C -2.057 174.160 176.117 0.166 0.000 1.153 313 I CA -1.134 60.289 61.300 0.205 0.000 1.426 313 I CB 0.729 38.865 38.000 0.228 0.000 1.381 313 I HN 0.083 nan 8.210 nan 0.000 0.571 314 P HA 0.165 nan 4.420 nan 0.000 0.271 314 P C -0.231 177.106 177.300 0.060 0.000 1.244 314 P CA -0.159 62.995 63.100 0.090 0.000 0.793 314 P CB 0.473 32.194 31.700 0.035 0.000 0.984 315 R N 0.147 120.691 120.500 0.073 0.000 2.240 315 R HA 0.076 4.417 4.340 0.002 0.000 0.203 315 R C 0.093 176.414 176.300 0.034 0.000 1.011 315 R CA 0.605 56.743 56.100 0.063 0.000 1.007 315 R CB -0.394 29.956 30.300 0.084 0.000 0.911 315 R HN 0.660 nan 8.270 nan 0.000 0.468 316 N N -2.151 116.554 118.700 0.009 0.000 2.591 316 N HA 0.159 4.899 4.740 0.002 0.000 0.263 316 N C 0.095 175.518 175.510 -0.146 0.000 1.308 316 N CA -0.699 52.325 53.050 -0.043 0.000 0.837 316 N CB 0.515 39.038 38.487 0.059 0.000 1.548 316 N HN -0.275 nan 8.380 nan 0.000 0.493 317 I N 0.106 120.470 120.570 -0.345 0.000 2.394 317 I HA -0.202 3.969 4.170 0.002 0.000 0.251 317 I C 1.437 177.462 176.117 -0.154 0.000 1.136 317 I CA 1.265 62.275 61.300 -0.485 0.000 1.425 317 I CB -0.195 37.098 38.000 -1.177 0.000 1.079 317 I HN 0.638 nan 8.210 nan 0.000 0.425 318 E N 0.700 120.835 120.200 -0.108 0.000 2.070 318 E HA -0.196 4.155 4.350 0.002 0.000 0.197 318 E C 2.338 178.872 176.600 -0.111 0.000 1.004 318 E CA 1.766 58.110 56.400 -0.092 0.000 0.805 318 E CB -0.216 29.105 29.700 -0.632 0.000 0.744 318 E HN 0.281 nan 8.360 nan 0.000 0.451 319 S N -0.370 115.277 115.700 -0.088 0.000 2.356 319 S HA -0.175 4.296 4.470 0.002 0.000 0.223 319 S C 1.787 176.402 174.600 0.025 0.000 1.032 319 S CA 1.155 59.370 58.200 0.026 0.000 1.005 319 S CB -0.448 62.806 63.200 0.089 0.000 0.867 319 S HN 0.382 nan 8.310 nan 0.000 0.449 320 Y N 0.902 121.117 120.300 -0.143 0.000 2.165 320 Y HA -0.249 4.302 4.550 0.001 0.000 0.286 320 Y C 2.196 178.054 175.900 -0.069 0.000 1.155 320 Y CA 1.670 59.623 58.100 -0.244 0.000 1.164 320 Y CB -0.596 37.607 38.460 -0.429 0.000 0.978 320 Y HN 0.330 nan 8.280 nan 0.000 0.513 321 Y N 0.866 121.104 120.300 -0.104 0.000 2.163 321 Y HA -0.235 4.316 4.550 0.002 0.000 0.288 321 Y C 2.653 178.523 175.900 -0.050 0.000 1.136 321 Y CA 2.205 60.273 58.100 -0.054 0.000 1.147 321 Y CB -0.683 37.875 38.460 0.164 0.000 0.987 321 Y HN 0.297 nan 8.280 nan 0.000 0.509 322 Q N 0.750 120.550 119.800 0.001 0.000 2.084 322 Q HA -0.196 4.145 4.340 0.002 0.000 0.202 322 Q C 1.947 177.886 176.000 -0.103 0.000 0.978 322 Q CA 2.392 58.159 55.803 -0.059 0.000 0.844 322 Q CB -0.238 28.528 28.738 0.047 0.000 0.898 322 Q HN 0.642 nan 8.270 nan 0.000 0.426 323 E N -0.889 119.262 120.200 -0.082 0.000 2.072 323 E HA -0.127 4.224 4.350 0.002 0.000 0.191 323 E C 1.923 178.557 176.600 0.057 0.000 0.985 323 E CA 1.653 58.024 56.400 -0.049 0.000 0.801 323 E CB -0.128 29.508 29.700 -0.107 0.000 0.750 323 E HN 0.666 nan 8.360 nan 0.000 0.452 324 T N -1.798 112.726 114.554 -0.050 0.000 2.915 324 T HA -0.053 4.298 4.350 0.002 0.000 0.269 324 T C 1.995 176.631 174.700 -0.108 0.000 1.071 324 T CA 0.906 62.969 62.100 -0.063 0.000 1.132 324 T CB -0.401 68.322 68.868 -0.243 0.000 0.878 324 T HN 0.191 nan 8.240 nan 0.000 0.479 325 G N 1.066 109.732 108.800 -0.224 0.000 2.625 325 G HA2 -0.072 3.889 3.960 0.002 0.000 0.214 325 G HA3 -0.072 3.889 3.960 0.002 0.000 0.214 325 G C 1.717 176.543 174.900 -0.124 0.000 1.132 325 G CA -0.134 44.808 45.100 -0.262 0.000 0.782 325 G HN 0.505 nan 8.290 nan 0.000 0.538 326 R N 0.143 120.618 120.500 -0.042 0.000 2.280 326 R HA 0.239 4.580 4.340 0.002 0.000 0.207 326 R C 1.373 177.677 176.300 0.007 0.000 1.043 326 R CA 0.323 56.427 56.100 0.006 0.000 1.006 326 R CB 0.030 30.384 30.300 0.089 0.000 0.885 326 R HN 0.303 nan 8.270 nan 0.000 0.467 327 A N 0.458 123.277 122.820 -0.003 0.000 2.340 327 A HA 0.479 4.800 4.320 0.002 0.000 0.268 327 A C 0.857 178.422 177.584 -0.032 0.000 1.100 327 A CA 0.183 52.217 52.037 -0.007 0.000 0.803 327 A CB 0.222 19.226 19.000 0.008 0.000 1.043 327 A HN 0.377 nan 8.150 nan 0.000 0.488 328 G N 1.526 110.311 108.800 -0.027 0.000 2.338 328 G HA2 -0.239 3.722 3.960 0.002 0.000 0.296 328 G HA3 -0.239 3.722 3.960 0.002 0.000 0.296 328 G C 0.771 175.651 174.900 -0.033 0.000 1.040 328 G CA 0.454 45.537 45.100 -0.028 0.000 1.004 328 G HN 0.732 nan 8.290 nan 0.000 0.509 329 R N 0.278 120.756 120.500 -0.038 0.000 2.189 329 R HA -0.038 4.303 4.340 0.002 0.000 0.218 329 R C 2.102 178.387 176.300 -0.024 0.000 1.074 329 R CA 1.567 57.646 56.100 -0.035 0.000 0.991 329 R CB -0.282 29.994 30.300 -0.040 0.000 0.883 329 R HN 0.721 nan 8.270 nan 0.000 0.457 330 D N -0.982 119.403 120.400 -0.024 0.000 2.371 330 D HA -0.008 4.633 4.640 0.002 0.000 0.221 330 D C 1.202 177.497 176.300 -0.008 0.000 0.986 330 D CA 0.957 54.948 54.000 -0.015 0.000 0.899 330 D CB -0.154 40.633 40.800 -0.022 0.000 0.902 330 D HN 0.260 nan 8.370 nan 0.000 0.530 331 G N -0.282 108.512 108.800 -0.010 0.000 2.176 331 G HA2 -0.270 3.691 3.960 0.002 0.000 0.253 331 G HA3 -0.270 3.691 3.960 0.002 0.000 0.253 331 G C 0.137 175.037 174.900 -0.001 0.000 0.979 331 G CA 0.330 45.428 45.100 -0.004 0.000 0.641 331 G HN 0.415 nan 8.290 nan 0.000 0.530 332 L N 1.093 122.313 121.223 -0.004 0.000 2.439 332 L HA 0.425 4.766 4.340 0.002 0.000 0.261 332 L C -1.637 175.234 176.870 0.002 0.000 1.153 332 L CA -2.216 52.624 54.840 -0.000 0.000 0.808 332 L CB 0.445 42.503 42.059 -0.002 0.000 1.126 332 L HN -0.142 nan 8.230 nan 0.000 0.460 333 P HA 0.051 nan 4.420 nan 0.000 0.263 333 P C -1.005 176.304 177.300 0.016 0.000 1.175 333 P CA 0.321 63.427 63.100 0.009 0.000 0.761 333 P CB 0.595 32.304 31.700 0.014 0.000 0.794 334 A N 2.276 125.101 122.820 0.008 0.000 2.593 334 A HA 0.721 5.042 4.320 0.002 0.000 0.290 334 A C -1.228 176.368 177.584 0.020 0.000 1.126 334 A CA -0.473 51.581 52.037 0.029 0.000 0.695 334 A CB 1.585 20.590 19.000 0.009 0.000 1.290 334 A HN 0.482 nan 8.150 nan 0.000 0.414 335 E N -0.273 119.981 120.200 0.089 0.000 2.340 335 E HA 0.699 5.050 4.350 0.002 0.000 0.273 335 E C -0.640 176.041 176.600 0.135 0.000 0.891 335 E CA -0.555 55.900 56.400 0.091 0.000 0.757 335 E CB 2.154 31.957 29.700 0.173 0.000 1.231 335 E HN 1.183 nan 8.360 nan 0.000 0.439 339 F N 5.355 125.349 119.950 0.073 0.000 2.420 339 F HA 0.557 5.085 4.527 0.002 0.000 0.352 339 F C -0.450 175.363 175.800 0.022 0.000 1.108 339 F CA 0.211 58.190 58.000 -0.036 0.000 1.162 339 F CB 1.165 40.016 39.000 -0.247 0.000 1.118 339 F HN 0.548 nan 8.300 nan 0.000 0.510 340 Y N 3.286 123.613 120.300 0.044 0.000 2.477 340 Y HA 0.445 4.996 4.550 0.002 0.000 0.347 340 Y C -1.444 174.466 175.900 0.016 0.000 0.981 340 Y CA -1.187 56.923 58.100 0.016 0.000 1.033 340 Y CB 1.513 39.971 38.460 -0.002 0.000 1.245 340 Y HN 0.553 nan 8.280 nan 0.000 0.455 341 D N 7.028 126.957 120.400 -0.784 0.000 2.896 341 D HA 0.309 4.950 4.640 0.002 0.000 0.241 341 D C -2.291 173.427 176.300 -0.969 0.000 1.188 341 D CA -2.181 51.429 54.000 -0.649 0.000 0.879 341 D CB 3.205 43.833 40.800 -0.287 0.000 1.553 341 D HN 0.318 nan 8.370 nan 0.000 0.515 342 P HA -0.097 nan 4.420 nan 0.000 0.219 342 P C 1.039 178.254 177.300 -0.141 0.000 1.146 342 P CA 0.733 63.650 63.100 -0.305 0.000 0.808 342 P CB 0.205 31.882 31.700 -0.039 0.000 0.779 343 A N -0.503 122.237 122.820 -0.132 0.000 2.067 343 A HA -0.105 4.216 4.320 0.002 0.000 0.219 343 A C 1.066 178.651 177.584 0.001 0.000 1.158 343 A CA 0.995 53.009 52.037 -0.038 0.000 0.661 343 A CB -0.966 18.010 19.000 -0.040 0.000 0.801 343 A HN 0.155 nan 8.150 nan 0.000 0.452 347 W N 1.911 123.222 121.300 0.019 0.000 2.379 347 W HA -0.103 4.557 4.660 0.002 0.000 0.307 347 W C 1.407 177.948 176.519 0.036 0.000 1.200 347 W CA 1.934 59.294 57.345 0.024 0.000 1.297 347 W CB -0.241 29.231 29.460 0.020 0.000 1.140 347 W HN 0.278 nan 8.180 nan 0.000 0.507 348 L N 0.678 121.919 121.223 0.031 0.000 2.079 348 L HA -0.246 4.095 4.340 0.002 0.000 0.210 348 L C 2.826 179.635 176.870 -0.101 0.000 1.081 348 L CA 1.436 56.232 54.840 -0.074 0.000 0.752 348 L CB -0.837 41.260 42.059 0.063 0.000 0.896 348 L HN -0.037 nan 8.230 nan 0.000 0.433 349 R N -0.555 119.923 120.500 -0.037 0.000 2.075 349 R HA -0.120 4.221 4.340 0.002 0.000 0.232 349 R C 2.425 178.678 176.300 -0.078 0.000 1.126 349 R CA 0.883 56.965 56.100 -0.029 0.000 0.963 349 R CB -0.285 30.026 30.300 0.017 0.000 0.858 349 R HN 0.312 nan 8.270 nan 0.000 0.435 350 R N 0.451 120.878 120.500 -0.122 0.000 2.080 350 R HA -0.159 4.182 4.340 0.002 0.000 0.236 350 R C 2.348 178.492 176.300 -0.260 0.000 1.137 350 R CA 1.900 57.898 56.100 -0.169 0.000 0.943 350 R CB -0.367 29.819 30.300 -0.189 0.000 0.846 350 R HN 0.272 nan 8.270 nan 0.000 0.431 351 C N 0.431 119.472 119.300 -0.432 0.000 2.413 351 C HA -0.141 4.320 4.460 0.002 0.000 0.276 351 C C 2.584 177.458 174.990 -0.192 0.000 1.248 351 C CA 0.463 59.247 59.018 -0.390 0.000 1.742 351 C CB -1.004 26.448 27.740 -0.480 0.000 2.017 351 C HN 0.520 nan 8.230 nan 0.000 0.481 352 L N 1.271 122.411 121.223 -0.138 0.000 2.056 352 L HA -0.030 4.311 4.340 0.002 0.000 0.207 352 L C 2.305 179.148 176.870 -0.045 0.000 1.078 352 L CA 1.979 56.779 54.840 -0.066 0.000 0.749 352 L CB -0.855 41.184 42.059 -0.033 0.000 0.901 352 L HN 0.248 nan 8.230 nan 0.000 0.433 353 E N 0.313 120.485 120.200 -0.047 0.000 2.478 353 E HA -0.173 4.178 4.350 0.002 0.000 0.198 353 E C 1.422 178.006 176.600 -0.026 0.000 1.046 353 E CA 0.922 57.308 56.400 -0.023 0.000 0.870 353 E CB -0.038 29.653 29.700 -0.014 0.000 0.818 353 E HN 0.828 nan 8.360 nan 0.000 0.527 354 E N 0.419 120.593 120.200 -0.044 0.000 2.501 354 E HA 0.118 4.469 4.350 0.002 0.000 0.201 354 E C 0.295 176.878 176.600 -0.028 0.000 1.016 354 E CA -0.200 56.179 56.400 -0.034 0.000 0.920 354 E CB 0.276 29.951 29.700 -0.043 0.000 1.023 354 E HN -0.078 nan 8.360 nan 0.000 0.474 355 K N 1.807 122.190 120.400 -0.028 0.000 2.120 355 K HA 0.259 4.580 4.320 0.002 0.000 0.245 355 K C -2.389 174.207 176.600 -0.007 0.000 1.024 355 K CA -2.082 54.195 56.287 -0.017 0.000 0.906 355 K CB 0.179 32.669 32.500 -0.016 0.000 1.051 355 K HN -0.058 nan 8.250 nan 0.000 0.491 356 P HA -0.078 nan 4.420 nan 0.000 0.262 356 P C -0.773 176.528 177.300 0.003 0.000 1.182 356 P CA 0.179 63.278 63.100 -0.000 0.000 0.761 356 P CB 0.466 32.166 31.700 -0.001 0.000 0.795 357 Q N 2.120 121.925 119.800 0.007 0.000 2.454 357 Q HA 0.488 4.829 4.340 0.002 0.000 0.247 357 Q C 0.653 176.661 176.000 0.013 0.000 1.028 357 Q CA 1.289 57.100 55.803 0.015 0.000 0.910 357 Q CB 0.180 28.929 28.738 0.018 0.000 1.276 357 Q HN 0.768 nan 8.270 nan 0.000 0.489 358 G N 0.921 109.735 108.800 0.024 0.000 2.331 358 G HA2 -0.184 3.777 3.960 0.002 0.000 0.402 358 G HA3 -0.184 3.777 3.960 0.002 0.000 0.402 358 G C -0.107 174.802 174.900 0.015 0.000 1.275 358 G CA -0.037 45.075 45.100 0.020 0.000 1.003 358 G HN 0.599 nan 8.290 nan 0.000 0.500 359 Q N -0.971 118.821 119.800 -0.014 0.000 2.077 359 Q HA -0.190 4.151 4.340 0.002 0.000 0.206 359 Q C 2.722 178.670 176.000 -0.086 0.000 0.989 359 Q CA 2.384 58.153 55.803 -0.058 0.000 0.853 359 Q CB -0.169 28.497 28.738 -0.120 0.000 0.907 359 Q HN 0.660 nan 8.270 nan 0.000 0.418 360 L N 0.951 122.119 121.223 -0.092 0.000 2.046 360 L HA -0.221 4.120 4.340 0.002 0.000 0.208 360 L C 2.498 179.350 176.870 -0.030 0.000 1.077 360 L CA 2.098 56.885 54.840 -0.089 0.000 0.747 360 L CB -0.592 41.422 42.059 -0.075 0.000 0.896 360 L HN 0.300 nan 8.230 nan 0.000 0.432 361 Q N -1.041 118.756 119.800 -0.006 0.000 2.119 361 Q HA -0.219 4.122 4.340 0.002 0.000 0.201 361 Q C 1.684 177.711 176.000 0.045 0.000 0.972 361 Q CA 1.763 57.578 55.803 0.020 0.000 0.847 361 Q CB -0.023 28.727 28.738 0.020 0.000 0.903 361 Q HN 0.540 nan 8.270 nan 0.000 0.433 362 D N 0.560 120.990 120.400 0.050 0.000 2.104 362 D HA -0.167 4.474 4.640 0.002 0.000 0.194 362 D C 1.875 178.239 176.300 0.107 0.000 0.994 362 D CA 1.200 55.252 54.000 0.086 0.000 0.830 362 D CB -0.228 40.616 40.800 0.072 0.000 0.959 362 D HN 0.341 nan 8.370 nan 0.000 0.452 363 I N 0.810 121.424 120.570 0.073 0.000 2.163 363 I HA -0.256 3.915 4.170 0.002 0.000 0.243 363 I C 2.453 178.655 176.117 0.142 0.000 1.085 363 I CA 1.201 62.566 61.300 0.110 0.000 1.347 363 I CB -0.208 37.809 38.000 0.029 0.000 1.044 363 I HN 0.016 nan 8.210 nan 0.000 0.408 364 E N 0.823 121.082 120.200 0.097 0.000 2.110 364 E HA -0.277 4.074 4.350 0.002 0.000 0.193 364 E C 2.382 179.047 176.600 0.108 0.000 0.988 364 E CA 1.101 57.560 56.400 0.098 0.000 0.804 364 E CB 0.010 29.747 29.700 0.062 0.000 0.745 364 E HN 0.270 nan 8.360 nan 0.000 0.458 365 R N -0.235 120.329 120.500 0.107 0.000 2.075 365 R HA -0.182 4.159 4.340 0.002 0.000 0.232 365 R C 2.613 178.987 176.300 0.122 0.000 1.126 365 R CA 1.579 57.738 56.100 0.098 0.000 0.963 365 R CB -0.406 29.950 30.300 0.094 0.000 0.858 365 R HN 0.358 nan 8.270 nan 0.000 0.435 366 H N 1.079 120.192 119.070 0.071 0.000 2.319 366 H HA -0.121 4.436 4.556 0.001 0.000 0.299 366 H C 1.481 176.858 175.328 0.082 0.000 1.092 366 H CA 2.071 58.163 56.048 0.073 0.000 1.302 366 H CB 0.191 29.998 29.762 0.074 0.000 1.373 366 H HN 0.182 nan 8.280 nan 0.000 0.497 367 K N -0.078 120.489 120.400 0.277 0.000 2.103 367 K HA -0.090 4.231 4.320 0.002 0.000 0.204 367 K C 2.349 178.988 176.600 0.065 0.000 1.052 367 K CA 0.751 57.163 56.287 0.210 0.000 0.945 367 K CB -0.025 32.613 32.500 0.229 0.000 0.722 367 K HN 0.113 nan 8.250 nan 0.000 0.443 368 L N 2.026 123.286 121.223 0.060 0.000 2.046 368 L HA -0.156 4.185 4.340 0.002 0.000 0.208 368 L C 1.561 178.433 176.870 0.003 0.000 1.077 368 L CA 1.711 56.569 54.840 0.029 0.000 0.747 368 L CB -0.513 41.572 42.059 0.043 0.000 0.896 368 L HN 0.111 nan 8.230 nan 0.000 0.432 369 N N 0.456 119.150 118.700 -0.009 0.000 2.069 369 N HA -0.082 4.659 4.740 0.002 0.000 0.191 369 N C 1.017 176.495 175.510 -0.052 0.000 1.031 369 N CA 1.117 54.148 53.050 -0.031 0.000 0.852 369 N CB -0.691 37.759 38.487 -0.061 0.000 1.018 369 N HN 0.512 nan 8.380 nan 0.000 0.423 373 A N 0.600 123.413 122.820 -0.011 0.000 1.969 373 A HA 0.239 4.560 4.320 0.002 0.000 0.218 373 A C 2.025 179.631 177.584 0.037 0.000 1.169 373 A CA 1.870 53.932 52.037 0.041 0.000 0.635 373 A CB -0.537 18.514 19.000 0.085 0.000 0.810 373 A HN 0.801 nan 8.150 nan 0.000 0.445 374 F N 1.093 120.914 119.950 -0.214 0.000 2.102 374 F HA -0.057 4.471 4.527 0.001 0.000 0.298 374 F C 2.464 178.024 175.800 -0.400 0.000 1.105 374 F CA 1.440 59.208 58.000 -0.387 0.000 1.239 374 F CB -0.445 38.262 39.000 -0.488 0.000 0.991 374 F HN 0.235 nan 8.300 nan 0.000 0.474 375 A N 0.143 122.752 122.820 -0.352 0.000 1.940 375 A HA -0.200 4.121 4.320 0.002 0.000 0.219 375 A C 1.872 179.097 177.584 -0.598 0.000 1.176 375 A CA 1.850 53.481 52.037 -0.678 0.000 0.631 375 A CB -0.834 17.461 19.000 -1.175 0.000 0.814 375 A HN 0.631 nan 8.150 nan 0.000 0.446 376 E N 0.116 120.094 120.200 -0.369 0.000 2.403 376 E HA 0.385 4.736 4.350 0.002 0.000 0.188 376 E C 0.463 176.974 176.600 -0.149 0.000 1.056 376 E CA -0.064 56.220 56.400 -0.193 0.000 0.892 376 E CB -0.043 29.617 29.700 -0.067 0.000 1.049 376 E HN 0.588 nan 8.360 nan 0.000 0.465 377 A N 1.278 123.959 122.820 -0.233 0.000 2.466 377 A HA -0.023 4.298 4.320 0.002 0.000 0.238 377 A C 0.696 178.203 177.584 -0.128 0.000 1.074 377 A CA 0.269 52.214 52.037 -0.154 0.000 0.774 377 A CB 0.324 19.089 19.000 -0.392 0.000 1.015 377 A HN 0.234 nan 8.150 nan 0.000 0.498 378 Q N -0.217 119.554 119.800 -0.049 0.000 2.135 378 Q HA 0.164 4.505 4.340 0.002 0.000 0.222 378 Q C -0.764 175.211 176.000 -0.041 0.000 0.808 378 Q CA 0.109 55.879 55.803 -0.054 0.000 1.049 378 Q CB 0.898 29.613 28.738 -0.039 0.000 1.168 378 Q HN 0.750 nan 8.270 nan 0.000 0.483 379 T N -0.067 114.458 114.554 -0.049 0.000 2.893 379 T HA 0.131 4.482 4.350 0.002 0.000 0.291 379 T C -0.454 174.185 174.700 -0.102 0.000 1.028 379 T CA -0.597 61.479 62.100 -0.039 0.000 0.995 379 T CB 1.913 70.804 68.868 0.038 0.000 1.051 379 T HN 0.281 nan 8.240 nan 0.000 0.470 380 C N 4.165 123.427 119.300 -0.063 0.000 1.986 380 C HA -0.074 4.387 4.460 0.002 0.000 0.404 380 C C 2.122 177.047 174.990 -0.108 0.000 1.551 380 C CA 0.016 59.000 59.018 -0.058 0.000 1.457 380 C CB -0.713 27.021 27.740 -0.009 0.000 2.639 380 C HN 0.854 nan 8.230 nan 0.000 0.590 381 R N 3.889 124.311 120.500 -0.130 0.000 2.127 381 R HA -0.129 4.212 4.340 0.002 0.000 0.238 381 R C 2.347 178.623 176.300 -0.042 0.000 1.134 381 R CA 1.770 57.765 56.100 -0.175 0.000 0.975 381 R CB -0.500 29.730 30.300 -0.117 0.000 0.865 381 R HN 0.816 nan 8.270 nan 0.000 0.447 382 R N 0.880 121.384 120.500 0.006 0.000 2.092 382 R HA -0.009 4.332 4.340 0.002 0.000 0.231 382 R C 2.375 178.699 176.300 0.040 0.000 1.119 382 R CA 0.896 57.019 56.100 0.037 0.000 0.970 382 R CB -0.137 30.249 30.300 0.144 0.000 0.864 382 R HN 0.150 nan 8.270 nan 0.000 0.440 383 L N 0.005 121.240 121.223 0.021 0.000 2.093 383 L HA -0.146 4.195 4.340 0.002 0.000 0.208 383 L C 2.336 179.208 176.870 0.004 0.000 1.085 383 L CA 0.783 55.637 54.840 0.024 0.000 0.755 383 L CB -0.361 41.710 42.059 0.020 0.000 0.904 383 L HN 0.077 nan 8.230 nan 0.000 0.435 384 V N 0.371 120.240 119.914 -0.075 0.000 2.255 384 V HA -0.317 3.804 4.120 0.002 0.000 0.247 384 V C 2.441 178.519 176.094 -0.027 0.000 1.051 384 V CA 1.832 64.046 62.300 -0.144 0.000 1.018 384 V CB -0.464 31.138 31.823 -0.368 0.000 0.641 384 V HN 0.338 nan 8.190 nan 0.000 0.445 385 L N -1.077 120.146 121.223 0.000 0.000 2.017 385 L HA -0.198 4.143 4.340 0.002 0.000 0.208 385 L C 2.478 179.400 176.870 0.088 0.000 1.073 385 L CA 1.231 56.077 54.840 0.010 0.000 0.745 385 L CB -0.665 41.424 42.059 0.050 0.000 0.894 385 L HN 0.281 nan 8.230 nan 0.000 0.432 386 L N -0.036 121.244 121.223 0.095 0.000 2.046 386 L HA -0.205 4.136 4.340 0.002 0.000 0.208 386 L C 2.338 179.234 176.870 0.043 0.000 1.077 386 L CA 1.681 56.583 54.840 0.104 0.000 0.747 386 L CB -1.060 41.069 42.059 0.117 0.000 0.896 386 L HN 0.307 nan 8.230 nan 0.000 0.432 387 N N -1.819 116.901 118.700 0.033 0.000 2.331 387 N HA -0.209 4.532 4.740 0.002 0.000 0.180 387 N C 1.893 177.377 175.510 -0.043 0.000 1.019 387 N CA 0.806 53.862 53.050 0.010 0.000 0.881 387 N CB -0.194 38.318 38.487 0.040 0.000 0.972 387 N HN 0.372 nan 8.380 nan 0.000 0.435 388 Y N 0.679 120.845 120.300 -0.223 0.000 2.181 388 Y HA -0.133 4.418 4.550 0.002 0.000 0.288 388 Y C 1.304 176.859 175.900 -0.575 0.000 1.146 388 Y CA 1.470 59.325 58.100 -0.409 0.000 1.164 388 Y CB -0.360 37.742 38.460 -0.597 0.000 0.982 388 Y HN -0.124 nan 8.280 nan 0.000 0.515 389 F N 0.125 119.858 119.950 -0.362 0.000 2.797 389 F HA 0.260 4.788 4.527 0.001 0.000 0.302 389 F C 1.867 177.420 175.800 -0.412 0.000 1.130 389 F CA 0.705 58.311 58.000 -0.657 0.000 1.387 389 F CB -0.166 37.898 39.000 -1.561 0.000 1.107 389 F HN 0.173 nan 8.300 nan 0.000 0.577 390 G N 0.747 109.468 108.800 -0.132 0.000 2.136 390 G HA2 -0.333 3.628 3.960 0.002 0.000 0.242 390 G HA3 -0.333 3.628 3.960 0.002 0.000 0.242 390 G C 0.243 175.151 174.900 0.013 0.000 0.989 390 G CA 0.065 45.128 45.100 -0.061 0.000 0.682 390 G HN 0.434 nan 8.290 nan 0.000 0.522 391 E N 0.925 121.152 120.200 0.045 0.000 1.936 391 E HA 0.490 4.841 4.350 0.002 0.000 0.267 391 E C 1.149 177.789 176.600 0.066 0.000 1.076 391 E CA -0.114 56.344 56.400 0.097 0.000 0.870 391 E CB -0.252 29.561 29.700 0.188 0.000 1.093 391 E HN 0.450 nan 8.360 nan 0.000 0.411 392 G N 4.395 113.222 108.800 0.046 0.000 2.254 392 G HA2 0.021 3.982 3.960 0.002 0.000 0.253 392 G HA3 0.021 3.982 3.960 0.002 0.000 0.253 392 G C -0.260 174.665 174.900 0.041 0.000 1.246 392 G CA -0.005 45.115 45.100 0.034 0.000 0.946 392 G HN 0.542 nan 8.290 nan 0.000 0.474 393 R N 2.077 122.601 120.500 0.040 0.000 2.561 393 R HA 0.295 4.636 4.340 0.002 0.000 0.266 393 R C -0.460 175.861 176.300 0.034 0.000 1.091 393 R CA -0.630 55.495 56.100 0.042 0.000 0.927 393 R CB 1.093 31.427 30.300 0.057 0.000 1.240 393 R HN 0.442 nan 8.270 nan 0.000 0.449 394 Q N 0.651 120.467 119.800 0.028 0.000 2.211 394 Q HA 0.151 4.492 4.340 0.002 0.000 0.242 394 Q C -0.700 175.311 176.000 0.019 0.000 0.825 394 Q CA 0.029 55.844 55.803 0.020 0.000 0.951 394 Q CB 1.091 29.836 28.738 0.011 0.000 1.130 394 Q HN 0.582 nan 8.270 nan 0.000 0.496 395 E N 2.558 122.773 120.200 0.025 0.000 2.217 395 E HA 0.161 4.512 4.350 0.002 0.000 0.279 395 E C -2.202 174.416 176.600 0.030 0.000 1.068 395 E CA -2.182 54.233 56.400 0.025 0.000 0.882 395 E CB 0.668 30.385 29.700 0.028 0.000 1.039 395 E HN -0.081 nan 8.360 nan 0.000 0.418 396 P HA -0.068 nan 4.420 nan 0.000 0.267 396 P C 0.625 177.949 177.300 0.040 0.000 1.200 396 P CA -0.335 62.782 63.100 0.028 0.000 0.772 396 P CB 0.566 32.276 31.700 0.017 0.000 0.855 397 C N 0.708 120.041 119.300 0.054 0.000 2.467 397 C HA 0.256 4.716 4.460 0.002 0.000 0.279 397 C C 1.842 176.869 174.990 0.061 0.000 1.347 397 C CA 0.790 59.850 59.018 0.071 0.000 1.748 397 C CB -1.645 26.159 27.740 0.107 0.000 1.977 397 C HN 0.761 nan 8.230 nan 0.000 0.501 398 G N 1.366 110.197 108.800 0.051 0.000 2.162 398 G HA2 -0.274 3.687 3.960 0.002 0.000 0.260 398 G HA3 -0.274 3.687 3.960 0.002 0.000 0.260 398 G C 0.018 174.949 174.900 0.051 0.000 0.976 398 G CA 0.624 45.750 45.100 0.043 0.000 0.655 398 G HN 0.758 nan 8.290 nan 0.000 0.533 399 N N -0.322 118.421 118.700 0.071 0.000 2.628 399 N HA 0.436 5.177 4.740 0.002 0.000 0.299 399 N C -0.017 175.561 175.510 0.114 0.000 1.834 399 N CA 0.403 53.501 53.050 0.080 0.000 0.871 399 N CB -0.115 38.419 38.487 0.079 0.000 1.377 399 N HN 1.015 nan 8.380 nan 0.000 0.493 400 C N -1.314 118.046 119.300 0.100 0.000 3.291 400 C HA 0.551 5.012 4.460 0.002 0.000 0.316 400 C C 1.501 176.528 174.990 0.061 0.000 1.391 400 C CA -0.675 58.416 59.018 0.122 0.000 1.394 400 C CB 1.369 29.201 27.740 0.153 0.000 1.744 400 C HN 0.387 nan 8.230 nan 0.000 0.461 401 D N 1.160 121.587 120.400 0.045 0.000 2.144 401 D HA -0.174 4.467 4.640 0.002 0.000 0.199 401 D C 1.582 177.874 176.300 -0.015 0.000 0.984 401 D CA 1.471 55.475 54.000 0.008 0.000 0.834 401 D CB -0.216 40.578 40.800 -0.011 0.000 0.955 401 D HN 0.765 nan 8.370 nan 0.000 0.465 402 I N 0.620 121.168 120.570 -0.038 0.000 2.202 402 I HA -0.249 3.922 4.170 0.002 0.000 0.242 402 I C 2.644 178.748 176.117 -0.021 0.000 1.091 402 I CA 0.850 62.121 61.300 -0.048 0.000 1.368 402 I CB -0.336 37.612 38.000 -0.086 0.000 1.058 402 I HN 0.113 nan 8.210 nan 0.000 0.410 403 C N 0.714 120.012 119.300 -0.004 0.000 2.422 403 C HA -0.107 4.354 4.460 0.002 0.000 0.279 403 C C 2.658 177.654 174.990 0.011 0.000 1.305 403 C CA 0.593 59.616 59.018 0.008 0.000 1.757 403 C CB -1.016 26.739 27.740 0.025 0.000 1.962 403 C HN 0.456 nan 8.230 nan 0.000 0.499 404 L N -0.319 120.912 121.223 0.013 0.000 2.376 404 L HA 0.010 4.351 4.340 0.002 0.000 0.219 404 L C 0.640 177.514 176.870 0.005 0.000 1.133 404 L CA 1.198 56.046 54.840 0.013 0.000 0.816 404 L CB -0.151 41.918 42.059 0.017 0.000 0.933 404 L HN 0.296 nan 8.230 nan 0.000 0.449 405 D N -0.712 119.687 120.400 -0.002 0.000 2.978 405 D HA 0.181 4.822 4.640 0.002 0.000 0.268 405 D C -2.494 173.800 176.300 -0.011 0.000 1.252 405 D CA -1.407 52.590 54.000 -0.005 0.000 0.771 405 D CB 0.896 41.692 40.800 -0.007 0.000 1.361 405 D HN -0.153 nan 8.370 nan 0.000 0.558 406 P HA 0.178 nan 4.420 nan 0.000 0.265 406 P C -2.383 174.911 177.300 -0.010 0.000 1.193 406 P CA -0.775 62.318 63.100 -0.011 0.000 0.765 406 P CB -0.178 31.518 31.700 -0.006 0.000 0.823 407 P HA 0.089 nan 4.420 nan 0.000 0.270 407 P C -0.102 177.199 177.300 0.003 0.000 1.223 407 P CA -0.268 62.826 63.100 -0.010 0.000 0.785 407 P CB 0.391 32.083 31.700 -0.014 0.000 0.923 408 K N 2.148 122.552 120.400 0.007 0.000 2.484 408 K HA -0.018 4.303 4.320 0.002 0.000 0.280 408 K C 0.096 176.727 176.600 0.051 0.000 1.013 408 K CA 0.200 56.499 56.287 0.020 0.000 1.029 408 K CB 0.203 32.709 32.500 0.011 0.000 0.902 408 K HN 0.314 nan 8.250 nan 0.000 0.481 409 Q N 2.396 122.232 119.800 0.059 0.000 2.204 409 Q HA 0.312 4.653 4.340 0.002 0.000 0.254 409 Q C -0.869 175.233 176.000 0.170 0.000 0.981 409 Q CA -0.672 55.184 55.803 0.088 0.000 0.897 409 Q CB 1.544 30.294 28.738 0.020 0.000 1.273 409 Q HN 0.685 nan 8.270 nan 0.000 0.464 410 Y N -2.528 117.756 120.300 -0.027 0.000 2.625 410 Y HA 0.394 4.945 4.550 0.003 0.000 0.338 410 Y C -0.980 174.910 175.900 -0.017 0.000 1.123 410 Y CA -1.678 56.409 58.100 -0.021 0.000 1.046 410 Y CB 0.850 39.298 38.460 -0.021 0.000 1.299 410 Y HN 0.430 nan 8.280 nan 0.000 0.464 411 D N 1.077 121.415 120.400 -0.103 0.000 2.359 411 D HA 0.228 4.869 4.640 0.002 0.000 0.250 411 D C 0.722 176.782 176.300 -0.399 0.000 1.264 411 D CA 0.449 54.325 54.000 -0.207 0.000 0.911 411 D CB 0.769 41.539 40.800 -0.048 0.000 1.056 411 D HN 0.946 nan 8.370 nan 0.000 0.499 412 G N 2.418 110.817 108.800 -0.668 0.000 3.383 412 G HA2 -0.028 3.933 3.960 0.002 0.000 0.251 412 G HA3 -0.028 3.933 3.960 0.002 0.000 0.251 412 G C 1.325 176.120 174.900 -0.175 0.000 1.203 412 G CA -0.221 44.522 45.100 -0.595 0.000 0.852 412 G HN 0.426 nan 8.290 nan 0.000 0.531 413 S N 0.356 115.991 115.700 -0.108 0.000 2.356 413 S HA -0.137 4.334 4.470 0.002 0.000 0.223 413 S C 2.550 177.163 174.600 0.022 0.000 1.032 413 S CA 1.698 59.876 58.200 -0.036 0.000 1.005 413 S CB -0.242 62.942 63.200 -0.027 0.000 0.867 413 S HN 0.402 nan 8.310 nan 0.000 0.449 414 T N 2.182 116.768 114.554 0.053 0.000 2.777 414 T HA -0.080 4.271 4.350 0.002 0.000 0.266 414 T C 1.416 176.216 174.700 0.167 0.000 1.040 414 T CA 1.357 63.514 62.100 0.096 0.000 1.141 414 T CB -0.501 68.428 68.868 0.102 0.000 0.868 414 T HN 0.279 nan 8.240 nan 0.000 0.444 415 D N 1.376 121.908 120.400 0.220 0.000 2.117 415 D HA -0.006 4.635 4.640 0.002 0.000 0.197 415 D C 2.319 178.817 176.300 0.330 0.000 0.987 415 D CA 1.230 55.462 54.000 0.387 0.000 0.829 415 D CB -0.484 40.496 40.800 0.299 0.000 0.961 415 D HN 0.390 nan 8.370 nan 0.000 0.460 416 A N 0.633 123.546 122.820 0.156 0.000 1.933 416 A HA -0.222 4.099 4.320 0.002 0.000 0.218 416 A C 2.110 179.742 177.584 0.081 0.000 1.175 416 A CA 1.412 53.508 52.037 0.099 0.000 0.628 416 A CB -0.585 18.429 19.000 0.024 0.000 0.814 416 A HN 0.222 nan 8.150 nan 0.000 0.444 417 Q N -0.529 119.312 119.800 0.069 0.000 2.084 417 Q HA -0.117 4.224 4.340 0.002 0.000 0.202 417 Q C 2.017 178.038 176.000 0.036 0.000 0.978 417 Q CA 1.543 57.371 55.803 0.042 0.000 0.844 417 Q CB -0.341 28.418 28.738 0.035 0.000 0.898 417 Q HN 0.742 nan 8.270 nan 0.000 0.426 418 I N 0.615 121.223 120.570 0.064 0.000 2.179 418 I HA -0.309 3.862 4.170 0.002 0.000 0.242 418 I C 2.447 178.524 176.117 -0.067 0.000 1.088 418 I CA 1.101 62.394 61.300 -0.012 0.000 1.357 418 I CB -0.423 37.563 38.000 -0.022 0.000 1.051 418 I HN 0.178 nan 8.210 nan 0.000 0.409 419 A N 0.895 123.718 122.820 0.004 0.000 1.858 419 A HA -0.167 4.154 4.320 0.002 0.000 0.216 419 A C 2.293 179.864 177.584 -0.021 0.000 1.190 419 A CA 1.499 53.526 52.037 -0.018 0.000 0.617 419 A CB -0.962 18.103 19.000 0.108 0.000 0.827 419 A HN 0.376 nan 8.150 nan 0.000 0.443 420 L N -0.767 120.458 121.223 0.004 0.000 2.046 420 L HA -0.166 4.175 4.340 0.002 0.000 0.208 420 L C 2.911 179.769 176.870 -0.019 0.000 1.077 420 L CA 1.529 56.366 54.840 -0.005 0.000 0.747 420 L CB -0.502 41.558 42.059 0.002 0.000 0.896 420 L HN 0.487 nan 8.230 nan 0.000 0.432 421 S N -0.813 114.873 115.700 -0.024 0.000 2.368 421 S HA -0.192 4.279 4.470 0.002 0.000 0.225 421 S C 2.011 176.580 174.600 -0.052 0.000 1.030 421 S CA 1.996 60.177 58.200 -0.031 0.000 0.999 421 S CB -0.215 62.968 63.200 -0.029 0.000 0.844 421 S HN 0.438 nan 8.310 nan 0.000 0.459 422 T N 2.518 117.025 114.554 -0.078 0.000 2.684 422 T HA -0.045 4.306 4.350 0.002 0.000 0.267 422 T C 1.712 176.361 174.700 -0.085 0.000 1.036 422 T CA 1.680 63.714 62.100 -0.110 0.000 1.148 422 T CB -0.456 68.317 68.868 -0.158 0.000 0.863 422 T HN 0.406 nan 8.240 nan 0.000 0.436 423 I N 1.153 121.693 120.570 -0.050 0.000 2.208 423 I HA -0.156 4.015 4.170 0.002 0.000 0.245 423 I C 2.852 178.961 176.117 -0.013 0.000 1.097 423 I CA 1.421 62.712 61.300 -0.015 0.000 1.363 423 I CB -0.667 37.330 38.000 -0.006 0.000 1.051 423 I HN 0.330 nan 8.210 nan 0.000 0.413 424 G N 0.357 109.144 108.800 -0.021 0.000 2.402 424 G HA2 -0.183 3.778 3.960 0.002 0.000 0.216 424 G HA3 -0.183 3.778 3.960 0.002 0.000 0.216 424 G C 1.770 176.659 174.900 -0.018 0.000 1.162 424 G CA 0.216 45.307 45.100 -0.015 0.000 0.777 424 G HN 0.142 nan 8.290 nan 0.000 0.539 425 R N 0.361 120.837 120.500 -0.039 0.000 2.120 425 R HA -0.062 4.279 4.340 0.002 0.000 0.234 425 R C 2.486 178.744 176.300 -0.071 0.000 1.123 425 R CA 1.293 57.364 56.100 -0.048 0.000 0.975 425 R CB -1.010 29.248 30.300 -0.069 0.000 0.866 425 R HN 0.520 nan 8.270 nan 0.000 0.446 426 V N -1.305 118.537 119.914 -0.120 0.000 3.563 426 V HA 0.156 4.277 4.120 0.002 0.000 0.299 426 V C -0.172 175.997 176.094 0.126 0.000 1.290 426 V CA 0.137 62.371 62.300 -0.110 0.000 1.201 426 V CB -1.334 30.350 31.823 -0.232 0.000 1.045 426 V HN 0.348 nan 8.190 nan 0.000 0.425 427 N N 1.162 119.897 118.700 0.058 0.000 2.725 427 N HA -0.281 4.460 4.740 0.002 0.000 0.249 427 N C 0.255 175.770 175.510 0.008 0.000 1.103 427 N CA 0.787 53.858 53.050 0.035 0.000 0.707 427 N CB -1.114 37.397 38.487 0.039 0.000 1.043 427 N HN 0.859 nan 8.380 nan 0.000 0.553 428 Q N -2.593 117.221 119.800 0.025 0.000 2.457 428 Q HA -0.298 4.043 4.340 0.002 0.000 0.283 428 Q C 0.310 176.279 176.000 -0.052 0.000 1.234 428 Q CA 0.732 56.536 55.803 0.002 0.000 0.877 428 Q CB -0.667 28.059 28.738 -0.021 0.000 1.250 428 Q HN 0.505 nan 8.270 nan 0.000 0.481 429 R N -0.709 119.728 120.500 -0.105 0.000 2.365 429 R HA 0.228 4.569 4.340 0.002 0.000 0.223 429 R C -0.013 175.923 176.300 -0.606 0.000 0.899 429 R CA 0.500 56.358 56.100 -0.405 0.000 1.059 429 R CB 0.577 30.455 30.300 -0.703 0.000 1.086 429 R HN 0.095 nan 8.270 nan 0.000 0.522 430 F N -0.340 119.553 119.950 -0.096 0.000 2.538 430 F HA 0.541 5.068 4.527 0.001 0.000 0.325 430 F C 1.320 177.127 175.800 0.012 0.000 1.066 430 F CA -1.020 56.932 58.000 -0.080 0.000 0.946 430 F CB 1.175 40.118 39.000 -0.095 0.000 1.199 430 F HN -0.131 nan 8.300 nan 0.000 0.473 434 Y N 2.053 122.407 120.300 0.090 0.000 2.163 434 Y HA 0.015 4.566 4.550 0.001 0.000 0.288 434 Y C 2.789 178.664 175.900 -0.042 0.000 1.136 434 Y CA 2.441 60.562 58.100 0.035 0.000 1.147 434 Y CB -0.144 38.354 38.460 0.064 0.000 0.987 434 Y HN 0.055 nan 8.280 nan 0.000 0.509 435 V N -0.830 119.144 119.914 0.100 0.000 2.332 435 V HA -0.344 3.777 4.120 0.002 0.000 0.248 435 V C 2.291 178.293 176.094 -0.153 0.000 1.055 435 V CA 1.883 64.158 62.300 -0.042 0.000 1.038 435 V CB -0.853 30.986 31.823 0.026 0.000 0.651 435 V HN 0.360 nan 8.190 nan 0.000 0.450 436 V N -0.440 119.421 119.914 -0.088 0.000 2.358 436 V HA -0.171 3.950 4.120 0.002 0.000 0.246 436 V C 2.579 178.587 176.094 -0.143 0.000 1.047 436 V CA 1.637 63.867 62.300 -0.116 0.000 1.035 436 V CB -0.619 31.175 31.823 -0.049 0.000 0.658 436 V HN 0.543 nan 8.190 nan 0.000 0.452 437 E N 0.236 120.365 120.200 -0.119 0.000 2.058 437 E HA -0.184 4.167 4.350 0.002 0.000 0.194 437 E C 2.335 178.789 176.600 -0.243 0.000 0.997 437 E CA 1.381 57.688 56.400 -0.154 0.000 0.801 437 E CB -0.634 28.967 29.700 -0.165 0.000 0.746 437 E HN 0.482 nan 8.360 nan 0.000 0.450 438 V N 1.738 121.451 119.914 -0.336 0.000 2.287 438 V HA -0.253 3.868 4.120 0.002 0.000 0.248 438 V C 2.483 178.405 176.094 -0.287 0.000 1.053 438 V CA 1.586 63.744 62.300 -0.236 0.000 1.027 438 V CB -0.506 31.138 31.823 -0.298 0.000 0.646 438 V HN 0.199 nan 8.190 nan 0.000 0.447 439 I N -0.475 119.867 120.570 -0.380 0.000 2.208 439 I HA -0.251 3.920 4.170 0.002 0.000 0.245 439 I C 2.553 178.357 176.117 -0.523 0.000 1.097 439 I CA 1.622 62.594 61.300 -0.546 0.000 1.363 439 I CB -0.407 37.060 38.000 -0.887 0.000 1.051 439 I HN 0.209 nan 8.210 nan 0.000 0.413 440 R N 0.869 121.125 120.500 -0.407 0.000 2.313 440 R HA 0.085 4.425 4.340 0.002 0.000 0.199 440 R C 0.992 177.089 176.300 -0.339 0.000 0.958 440 R CA 0.655 56.595 56.100 -0.266 0.000 1.047 440 R CB 0.000 30.244 30.300 -0.094 0.000 0.955 440 R HN 0.513 nan 8.270 nan 0.000 0.481 441 G N 1.450 109.903 108.800 -0.580 0.000 2.298 441 G HA2 -0.293 3.668 3.960 0.002 0.000 0.287 441 G HA3 -0.293 3.668 3.960 0.002 0.000 0.287 441 G C 0.138 174.762 174.900 -0.460 0.000 1.075 441 G CA 0.205 44.678 45.100 -1.044 0.000 0.960 441 G HN 0.492 nan 8.290 nan 0.000 0.502 442 A N -0.116 122.588 122.820 -0.194 0.000 2.386 442 A HA 0.569 4.890 4.320 0.002 0.000 0.248 442 A C 0.842 178.481 177.584 0.092 0.000 1.082 442 A CA 0.064 52.082 52.037 -0.032 0.000 0.789 442 A CB 0.378 19.361 19.000 -0.028 0.000 1.025 442 A HN 0.736 nan 8.150 nan 0.000 0.490 443 N N 2.271 121.008 118.700 0.062 0.000 2.555 443 N HA 0.041 4.782 4.740 0.002 0.000 0.244 443 N C -1.109 174.432 175.510 0.052 0.000 1.114 443 N CA 0.071 53.164 53.050 0.071 0.000 0.963 443 N CB -0.281 38.232 38.487 0.043 0.000 1.276 443 N HN 0.643 nan 8.380 nan 0.000 0.510 444 N N 2.476 121.212 118.700 0.060 0.000 2.352 444 N HA 0.054 4.795 4.740 0.002 0.000 0.291 444 N C 0.548 176.086 175.510 0.046 0.000 1.040 444 N CA -0.270 52.811 53.050 0.052 0.000 0.864 444 N CB 1.799 40.316 38.487 0.050 0.000 1.440 444 N HN 0.312 nan 8.380 nan 0.000 0.483 445 Q N 2.872 122.695 119.800 0.038 0.000 2.084 445 Q HA -0.031 4.310 4.340 0.002 0.000 0.202 445 Q C 1.794 177.805 176.000 0.019 0.000 0.978 445 Q CA 1.780 57.592 55.803 0.015 0.000 0.844 445 Q CB -0.051 28.691 28.738 0.007 0.000 0.898 445 Q HN 0.672 nan 8.270 nan 0.000 0.426 446 R N -0.372 120.176 120.500 0.079 0.000 2.083 446 R HA -0.134 4.207 4.340 0.002 0.000 0.237 446 R C 2.248 178.686 176.300 0.231 0.000 1.137 446 R CA 1.717 57.903 56.100 0.144 0.000 0.951 446 R CB -0.419 30.062 30.300 0.302 0.000 0.851 446 R HN 0.390 nan 8.270 nan 0.000 0.434 447 I N 0.358 121.071 120.570 0.237 0.000 2.163 447 I HA -0.325 3.846 4.170 0.002 0.000 0.243 447 I C 2.535 178.667 176.117 0.024 0.000 1.085 447 I CA 1.509 62.911 61.300 0.171 0.000 1.347 447 I CB -0.279 37.734 38.000 0.021 0.000 1.044 447 I HN 0.239 nan 8.210 nan 0.000 0.408 448 R N 0.452 120.930 120.500 -0.035 0.000 2.092 448 R HA -0.152 4.189 4.340 0.002 0.000 0.231 448 R C 1.820 178.058 176.300 -0.103 0.000 1.119 448 R CA 1.425 57.471 56.100 -0.090 0.000 0.970 448 R CB -0.350 29.905 30.300 -0.076 0.000 0.864 448 R HN 0.382 nan 8.270 nan 0.000 0.440 449 D N -0.221 120.103 120.400 -0.126 0.000 2.178 449 D HA -0.143 4.498 4.640 0.002 0.000 0.202 449 D C 1.367 177.498 176.300 -0.280 0.000 0.974 449 D CA 1.238 55.110 54.000 -0.214 0.000 0.841 449 D CB -0.096 40.537 40.800 -0.278 0.000 0.953 449 D HN 0.248 nan 8.370 nan 0.000 0.478 450 Y N 0.043 120.235 120.300 -0.181 0.000 2.544 450 Y HA 0.199 4.750 4.550 0.002 0.000 0.286 450 Y C 1.960 177.601 175.900 -0.433 0.000 1.141 450 Y CA 0.567 58.449 58.100 -0.364 0.000 1.299 450 Y CB 0.046 38.118 38.460 -0.646 0.000 1.030 450 Y HN 0.041 nan 8.280 nan 0.000 0.543 451 G N -0.605 108.102 108.800 -0.154 0.000 2.143 451 G HA2 -0.330 3.631 3.960 0.002 0.000 0.248 451 G HA3 -0.330 3.631 3.960 0.002 0.000 0.248 451 G C 0.764 175.624 174.900 -0.067 0.000 0.991 451 G CA 0.586 45.620 45.100 -0.110 0.000 0.689 451 G HN 0.465 nan 8.290 nan 0.000 0.522 452 H N 0.954 120.008 119.070 -0.027 0.000 2.555 452 H HA 0.021 4.578 4.556 0.002 0.000 0.269 452 H C 2.203 177.360 175.328 -0.285 0.000 0.988 452 H CA 1.169 57.166 56.048 -0.084 0.000 1.178 452 H CB 0.083 29.827 29.762 -0.031 0.000 1.373 452 H HN 0.707 nan 8.280 nan 0.000 0.588 453 D N 0.376 120.531 120.400 -0.407 0.000 2.312 453 D HA -0.104 4.537 4.640 0.002 0.000 0.211 453 D C 1.342 177.337 176.300 -0.509 0.000 0.964 453 D CA 0.443 53.826 54.000 -1.030 0.000 0.877 453 D CB 0.157 40.442 40.800 -0.857 0.000 0.924 453 D HN 0.143 nan 8.370 nan 0.000 0.515 454 K N 0.281 120.556 120.400 -0.208 0.000 2.400 454 K HA 0.184 4.505 4.320 0.002 0.000 0.194 454 K C 1.056 177.646 176.600 -0.016 0.000 1.033 454 K CA -0.185 56.053 56.287 -0.082 0.000 1.021 454 K CB 0.418 32.889 32.500 -0.048 0.000 0.808 454 K HN 0.289 nan 8.250 nan 0.000 0.505 455 L N 1.651 122.877 121.223 0.005 0.000 2.483 455 L HA 0.011 4.352 4.340 0.002 0.000 0.276 455 L C 1.962 178.866 176.870 0.056 0.000 1.213 455 L CA 0.021 54.884 54.840 0.038 0.000 0.843 455 L CB 0.310 42.390 42.059 0.035 0.000 1.107 455 L HN 0.046 nan 8.230 nan 0.000 0.487 456 K N 1.665 122.085 120.400 0.033 0.000 2.097 456 K HA -0.144 4.177 4.320 0.002 0.000 0.206 456 K C 1.618 178.229 176.600 0.019 0.000 1.049 456 K CA 1.685 57.989 56.287 0.028 0.000 0.933 456 K CB 0.028 32.536 32.500 0.012 0.000 0.717 456 K HN 0.677 nan 8.250 nan 0.000 0.442 457 V N -0.862 119.051 119.914 -0.003 0.000 2.759 457 V HA -0.131 3.990 4.120 0.002 0.000 0.256 457 V C 1.076 177.140 176.094 -0.050 0.000 1.080 457 V CA 0.508 62.777 62.300 -0.051 0.000 1.101 457 V CB -1.347 30.420 31.823 -0.094 0.000 0.698 457 V HN 0.254 nan 8.190 nan 0.000 0.477 458 Y N 3.524 123.754 120.300 -0.116 0.000 2.804 458 Y HA 0.399 4.949 4.550 0.001 0.000 0.338 458 Y C 0.977 176.811 175.900 -0.109 0.000 1.252 458 Y CA 1.186 59.212 58.100 -0.122 0.000 1.576 458 Y CB -0.655 37.757 38.460 -0.079 0.000 1.223 458 Y HN 0.773 nan 8.280 nan 0.000 0.536 462 R N 1.311 121.809 120.500 -0.003 0.000 2.127 462 R HA -0.112 4.229 4.340 0.002 0.000 0.238 462 R C 1.909 178.235 176.300 0.044 0.000 1.134 462 R CA 1.981 58.076 56.100 -0.008 0.000 0.975 462 R CB -0.054 30.197 30.300 -0.081 0.000 0.865 462 R HN 0.398 nan 8.270 nan 0.000 0.447 463 D N -0.091 120.338 120.400 0.048 0.000 2.371 463 D HA -0.068 4.573 4.640 0.002 0.000 0.221 463 D C -0.153 176.128 176.300 -0.032 0.000 0.986 463 D CA 0.713 54.716 54.000 0.005 0.000 0.899 463 D CB 0.084 40.876 40.800 -0.014 0.000 0.902 463 D HN 0.142 nan 8.370 nan 0.000 0.530 464 K N 0.246 120.654 120.400 0.013 0.000 2.267 464 K HA 0.389 4.710 4.320 0.002 0.000 0.246 464 K C 0.156 176.752 176.600 -0.005 0.000 0.954 464 K CA -0.808 55.364 56.287 -0.192 0.000 0.824 464 K CB 2.048 34.116 32.500 -0.721 0.000 1.167 464 K HN 0.041 nan 8.250 nan 0.000 0.431 465 S N 0.114 115.783 115.700 -0.052 0.000 2.608 465 S HA -0.021 4.450 4.470 0.002 0.000 0.261 465 S C 1.198 175.923 174.600 0.208 0.000 1.314 465 S CA -0.306 57.944 58.200 0.083 0.000 0.992 465 S CB 0.603 63.836 63.200 0.054 0.000 0.935 465 S HN 0.796 nan 8.310 nan 0.000 0.564 466 H N 1.348 120.500 119.070 0.137 0.000 2.321 466 H HA -0.141 4.416 4.556 0.002 0.000 0.300 466 H C 2.067 177.479 175.328 0.139 0.000 1.087 466 H CA 2.325 58.470 56.048 0.162 0.000 1.319 466 H CB -0.290 29.527 29.762 0.092 0.000 1.379 466 H HN 0.967 nan 8.280 nan 0.000 0.501 467 E N -0.436 119.852 120.200 0.147 0.000 2.153 467 E HA -0.239 4.112 4.350 0.002 0.000 0.194 467 E C 2.272 178.845 176.600 -0.046 0.000 0.988 467 E CA 1.021 57.447 56.400 0.043 0.000 0.811 467 E CB -0.780 28.968 29.700 0.079 0.000 0.746 467 E HN 0.562 nan 8.360 nan 0.000 0.466 468 H N 0.224 119.199 119.070 -0.159 0.000 2.290 468 H HA -0.174 4.383 4.556 0.001 0.000 0.298 468 H C 1.415 176.529 175.328 -0.355 0.000 1.087 468 H CA 2.291 58.145 56.048 -0.323 0.000 1.291 468 H CB -0.471 28.976 29.762 -0.525 0.000 1.369 468 H HN 0.363 nan 8.280 nan 0.000 0.492 469 W N 0.380 121.699 121.300 0.031 0.000 2.402 469 W HA -0.099 4.562 4.660 0.001 0.000 0.286 469 W C 2.878 179.302 176.519 -0.158 0.000 1.221 469 W CA 0.752 58.068 57.345 -0.048 0.000 1.257 469 W CB -0.319 29.114 29.460 -0.045 0.000 1.120 469 W HN -0.025 nan 8.180 nan 0.000 0.551 470 V N -0.430 119.456 119.914 -0.046 0.000 2.343 470 V HA -0.335 3.786 4.120 0.002 0.000 0.247 470 V C 2.339 178.374 176.094 -0.099 0.000 1.051 470 V CA 2.173 64.411 62.300 -0.104 0.000 1.036 470 V CB -1.175 30.556 31.823 -0.154 0.000 0.654 470 V HN 0.224 nan 8.190 nan 0.000 0.451 471 S N -0.480 115.137 115.700 -0.140 0.000 2.356 471 S HA -0.174 4.297 4.470 0.002 0.000 0.223 471 S C 2.017 176.519 174.600 -0.164 0.000 1.032 471 S CA 1.882 59.985 58.200 -0.162 0.000 1.005 471 S CB -0.210 62.867 63.200 -0.204 0.000 0.867 471 S HN 0.313 nan 8.310 nan 0.000 0.449 472 V N 2.039 121.838 119.914 -0.192 0.000 2.255 472 V HA -0.193 3.928 4.120 0.002 0.000 0.247 472 V C 2.298 178.369 176.094 -0.038 0.000 1.051 472 V CA 2.210 64.446 62.300 -0.106 0.000 1.018 472 V CB -0.636 31.171 31.823 -0.027 0.000 0.641 472 V HN 0.523 nan 8.190 nan 0.000 0.445 473 I N -0.470 120.099 120.570 -0.002 0.000 2.252 473 I HA -0.247 3.924 4.170 0.002 0.000 0.245 473 I C 2.725 178.773 176.117 -0.114 0.000 1.102 473 I CA 1.791 63.077 61.300 -0.024 0.000 1.385 473 I CB -0.466 37.536 38.000 0.003 0.000 1.064 473 I HN 0.220 nan 8.210 nan 0.000 0.414 474 R N 0.996 121.394 120.500 -0.170 0.000 2.105 474 R HA -0.228 4.113 4.340 0.002 0.000 0.239 474 R C 2.239 178.272 176.300 -0.445 0.000 1.135 474 R CA 1.683 57.576 56.100 -0.346 0.000 0.967 474 R CB -0.124 29.997 30.300 -0.298 0.000 0.861 474 R HN 0.453 nan 8.270 nan 0.000 0.442 475 Q N 0.106 119.776 119.800 -0.217 0.000 2.119 475 Q HA -0.111 4.229 4.340 0.002 0.000 0.201 475 Q C 2.261 178.215 176.000 -0.077 0.000 0.972 475 Q CA 1.322 57.059 55.803 -0.109 0.000 0.847 475 Q CB -0.007 28.692 28.738 -0.065 0.000 0.903 475 Q HN 0.402 nan 8.270 nan 0.000 0.433 476 L N 0.222 121.396 121.223 -0.081 0.000 2.083 476 L HA -0.198 4.143 4.340 0.002 0.000 0.209 476 L C 2.253 179.092 176.870 -0.051 0.000 1.083 476 L CA 0.970 55.781 54.840 -0.048 0.000 0.752 476 L CB -0.361 41.679 42.059 -0.031 0.000 0.899 476 L HN 0.247 nan 8.230 nan 0.000 0.433 477 I N -1.061 119.445 120.570 -0.106 0.000 2.202 477 I HA -0.285 3.886 4.170 0.002 0.000 0.242 477 I C 2.502 178.625 176.117 0.010 0.000 1.091 477 I CA 1.013 62.262 61.300 -0.085 0.000 1.368 477 I CB -0.434 37.470 38.000 -0.159 0.000 1.058 477 I HN 0.288 nan 8.210 nan 0.000 0.410 478 H N 0.403 119.457 119.070 -0.026 0.000 2.491 478 H HA 0.028 4.584 4.556 0.001 0.000 0.290 478 H C 2.054 177.370 175.328 -0.020 0.000 1.050 478 H CA 1.015 57.048 56.048 -0.025 0.000 1.309 478 H CB -0.203 29.532 29.762 -0.045 0.000 1.392 478 H HN 0.329 nan 8.280 nan 0.000 0.554 479 L N -0.985 120.291 121.223 0.088 0.000 2.558 479 L HA 0.158 4.499 4.340 0.002 0.000 0.225 479 L C 1.401 178.288 176.870 0.029 0.000 1.128 479 L CA 0.545 55.411 54.840 0.043 0.000 0.868 479 L CB 0.256 42.325 42.059 0.016 0.000 1.006 479 L HN 0.373 nan 8.230 nan 0.000 0.454 480 G N -0.098 108.717 108.800 0.026 0.000 2.136 480 G HA2 -0.271 3.690 3.960 0.002 0.000 0.242 480 G HA3 -0.271 3.690 3.960 0.002 0.000 0.242 480 G C 0.498 175.397 174.900 -0.001 0.000 0.989 480 G CA 0.137 45.244 45.100 0.011 0.000 0.682 480 G HN 0.205 nan 8.290 nan 0.000 0.522 481 L N -0.611 120.609 121.223 -0.005 0.000 2.375 481 L HA 0.424 4.765 4.340 0.002 0.000 0.215 481 L C 1.215 178.076 176.870 -0.015 0.000 1.108 481 L CA 0.954 55.788 54.840 -0.010 0.000 0.830 481 L CB 0.494 42.547 42.059 -0.010 0.000 0.959 481 L HN 0.198 nan 8.230 nan 0.000 0.457 482 V N -1.413 118.489 119.914 -0.020 0.000 2.789 482 V HA 0.588 4.709 4.120 0.002 0.000 0.311 482 V C -0.182 175.894 176.094 -0.030 0.000 1.073 482 V CA -0.652 61.634 62.300 -0.025 0.000 0.921 482 V CB 2.102 33.909 31.823 -0.027 0.000 1.009 482 V HN 0.249 nan 8.190 nan 0.000 0.426 483 T N 1.176 115.711 114.554 -0.033 0.000 2.924 483 T HA 0.706 5.057 4.350 0.002 0.000 0.291 483 T C -0.853 173.833 174.700 -0.024 0.000 1.045 483 T CA -0.863 61.213 62.100 -0.040 0.000 1.015 483 T CB 2.027 70.858 68.868 -0.062 0.000 1.103 483 T HN 0.566 nan 8.240 nan 0.000 0.496 484 Q N 1.678 121.477 119.800 -0.001 0.000 2.368 484 Q HA 0.358 4.699 4.340 0.002 0.000 0.263 484 Q C -0.804 175.253 176.000 0.094 0.000 1.009 484 Q CA -0.816 55.025 55.803 0.065 0.000 0.818 484 Q CB 1.305 30.086 28.738 0.073 0.000 1.239 484 Q HN 0.572 nan 8.270 nan 0.000 0.464 485 N N 3.590 122.288 118.700 -0.002 0.000 2.415 485 N HA 0.080 4.821 4.740 0.002 0.000 0.246 485 N C 0.376 175.741 175.510 -0.242 0.000 1.078 485 N CA 0.081 53.044 53.050 -0.145 0.000 0.942 485 N CB 0.695 39.089 38.487 -0.155 0.000 1.140 485 N HN 0.804 nan 8.380 nan 0.000 0.501 486 I N 3.022 123.296 120.570 -0.492 0.000 2.454 486 I HA -0.216 3.955 4.170 0.002 0.000 0.254 486 I C 1.457 177.213 176.117 -0.603 0.000 1.156 486 I CA 1.025 61.882 61.300 -0.739 0.000 1.433 486 I CB 0.196 37.643 38.000 -0.922 0.000 1.082 486 I HN 0.593 nan 8.210 nan 0.000 0.432 487 A N -0.732 121.595 122.820 -0.821 0.000 2.251 487 A HA 0.038 4.359 4.320 0.002 0.000 0.209 487 A C 1.480 178.843 177.584 -0.368 0.000 1.187 487 A CA 0.284 51.796 52.037 -0.875 0.000 0.823 487 A CB -0.129 18.234 19.000 -1.061 0.000 0.846 487 A HN 0.577 nan 8.150 nan 0.000 0.486 488 Q N -0.154 119.486 119.800 -0.266 0.000 2.217 488 Q HA 0.149 4.490 4.340 0.002 0.000 0.340 488 Q C -0.970 175.036 176.000 0.010 0.000 0.893 488 Q CA -0.475 55.262 55.803 -0.111 0.000 1.142 488 Q CB 0.118 28.789 28.738 -0.111 0.000 1.288 488 Q HN 0.690 nan 8.270 nan 0.000 0.426 489 H N -0.407 118.644 119.070 -0.032 0.000 2.713 489 H HA -0.178 4.379 4.556 0.001 0.000 0.311 489 H C -0.072 175.291 175.328 0.059 0.000 1.175 489 H CA 1.026 57.089 56.048 0.025 0.000 1.143 489 H CB -1.498 28.266 29.762 0.004 0.000 1.434 489 H HN 0.471 nan 8.280 nan 0.000 0.418 490 S N -3.385 112.401 115.700 0.142 0.000 3.561 490 S HA -0.205 4.266 4.470 0.002 0.000 0.318 490 S C 0.971 175.636 174.600 0.108 0.000 1.181 490 S CA 0.658 58.986 58.200 0.214 0.000 0.916 490 S CB -1.231 62.127 63.200 0.263 0.000 0.966 490 S HN 0.995 nan 8.310 nan 0.000 0.550 491 A N 0.696 123.544 122.820 0.046 0.000 2.540 491 A HA 0.421 4.742 4.320 0.002 0.000 0.239 491 A C 0.557 178.150 177.584 0.016 0.000 1.061 491 A CA 0.238 52.283 52.037 0.013 0.000 0.758 491 A CB 0.130 19.096 19.000 -0.056 0.000 0.991 491 A HN 0.554 nan 8.150 nan 0.000 0.502 492 L N 2.931 124.174 121.223 0.035 0.000 2.313 492 L HA 0.243 4.584 4.340 0.002 0.000 0.282 492 L C 0.526 177.398 176.870 0.003 0.000 1.092 492 L CA 0.167 55.019 54.840 0.020 0.000 0.831 492 L CB 0.310 42.389 42.059 0.034 0.000 1.159 492 L HN 0.784 nan 8.230 nan 0.000 0.442 493 Q N 3.743 123.534 119.800 -0.015 0.000 2.451 493 Q HA 0.611 4.952 4.340 0.002 0.000 0.281 493 Q C -1.141 174.844 176.000 -0.025 0.000 1.099 493 Q CA -1.010 54.778 55.803 -0.025 0.000 0.806 493 Q CB 3.096 31.808 28.738 -0.043 0.000 1.419 493 Q HN 0.497 nan 8.270 nan 0.000 0.427 494 L N 1.185 122.394 121.223 -0.023 0.000 2.357 494 L HA 0.498 4.839 4.340 0.002 0.000 0.273 494 L C 0.576 177.433 176.870 -0.023 0.000 1.080 494 L CA -0.461 54.367 54.840 -0.020 0.000 0.803 494 L CB 1.263 43.312 42.059 -0.016 0.000 1.174 494 L HN 0.777 nan 8.230 nan 0.000 0.443 495 T N -2.904 111.638 114.554 -0.020 0.000 2.937 495 T HA 0.267 4.618 4.350 0.002 0.000 0.283 495 T C 0.811 175.503 174.700 -0.014 0.000 1.012 495 T CA -0.813 61.276 62.100 -0.019 0.000 0.997 495 T CB 1.588 70.445 68.868 -0.018 0.000 1.136 495 T HN 0.478 nan 8.240 nan 0.000 0.551 496 E N 0.416 120.609 120.200 -0.011 0.000 2.160 496 E HA -0.089 4.262 4.350 0.002 0.000 0.195 496 E C 2.296 178.892 176.600 -0.005 0.000 0.991 496 E CA 1.444 57.840 56.400 -0.008 0.000 0.810 496 E CB -0.870 28.827 29.700 -0.005 0.000 0.742 496 E HN 0.807 nan 8.360 nan 0.000 0.466 497 A N 1.103 123.920 122.820 -0.005 0.000 2.121 497 A HA 0.016 4.337 4.320 0.002 0.000 0.218 497 A C 2.297 179.878 177.584 -0.005 0.000 1.154 497 A CA 1.391 53.426 52.037 -0.003 0.000 0.679 497 A CB -0.291 18.709 19.000 -0.001 0.000 0.795 497 A HN 0.232 nan 8.150 nan 0.000 0.458 498 A N -0.317 122.499 122.820 -0.007 0.000 2.066 498 A HA -0.041 4.280 4.320 0.002 0.000 0.218 498 A C 2.086 179.666 177.584 -0.005 0.000 1.157 498 A CA 1.206 53.239 52.037 -0.007 0.000 0.670 498 A CB -0.447 18.548 19.000 -0.008 0.000 0.804 498 A HN 0.564 nan 8.150 nan 0.000 0.453 499 R N 0.218 120.715 120.500 -0.005 0.000 2.097 499 R HA -0.149 4.192 4.340 0.002 0.000 0.236 499 R C -0.840 175.458 176.300 -0.003 0.000 1.135 499 R CA 2.261 58.359 56.100 -0.004 0.000 0.934 499 R CB -1.132 29.166 30.300 -0.004 0.000 0.846 499 R HN 0.385 nan 8.270 nan 0.000 0.431 500 P HA -0.113 nan 4.420 nan 0.000 0.216 500 P C 1.421 178.719 177.300 -0.004 0.000 1.150 500 P CA 1.102 64.200 63.100 -0.004 0.000 0.837 500 P CB -0.028 31.669 31.700 -0.004 0.000 0.786 501 V N -0.308 119.602 119.914 -0.006 0.000 2.323 501 V HA -0.178 3.943 4.120 0.002 0.000 0.244 501 V C 2.524 178.618 176.094 -0.001 0.000 1.041 501 V CA 1.318 63.615 62.300 -0.006 0.000 1.025 501 V CB -1.274 30.544 31.823 -0.009 0.000 0.656 501 V HN 0.015 nan 8.190 nan 0.000 0.451 502 L N 0.453 121.676 121.223 -0.000 0.000 2.042 502 L HA -0.167 4.174 4.340 0.002 0.000 0.210 502 L C 2.503 179.373 176.870 0.002 0.000 1.076 502 L CA 1.973 56.814 54.840 0.001 0.000 0.749 502 L CB -0.571 41.487 42.059 -0.002 0.000 0.893 502 L HN 0.188 nan 8.230 nan 0.000 0.432 503 R N -0.540 119.960 120.500 0.000 0.000 2.236 503 R HA 0.134 4.475 4.340 0.002 0.000 0.208 503 R C 1.254 177.555 176.300 0.002 0.000 1.036 503 R CA 0.677 56.777 56.100 0.001 0.000 1.001 503 R CB -0.272 30.028 30.300 -0.000 0.000 0.896 503 R HN 0.600 nan 8.270 nan 0.000 0.464 504 G N 1.211 110.012 108.800 0.002 0.000 2.137 504 G HA2 -0.285 3.676 3.960 0.002 0.000 0.237 504 G HA3 -0.285 3.676 3.960 0.002 0.000 0.237 504 G C 0.422 175.322 174.900 0.000 0.000 1.002 504 G CA 0.407 45.508 45.100 0.002 0.000 0.702 504 G HN 0.427 nan 8.290 nan 0.000 0.515 505 E N -0.355 119.844 120.200 -0.001 0.000 2.250 505 E HA 0.193 4.543 4.350 0.002 0.000 0.192 505 E C 0.861 177.458 176.600 -0.004 0.000 0.986 505 E CA 0.927 57.325 56.400 -0.002 0.000 0.849 505 E CB 0.246 29.945 29.700 -0.002 0.000 0.797 505 E HN 0.412 nan 8.360 nan 0.000 0.482 506 S N 0.277 115.973 115.700 -0.006 0.000 2.542 506 S HA 0.317 4.788 4.470 0.002 0.000 0.293 506 S C -0.440 174.151 174.600 -0.015 0.000 1.089 506 S CA -0.941 57.253 58.200 -0.010 0.000 0.961 506 S CB 1.928 65.122 63.200 -0.010 0.000 1.062 506 S HN 0.170 nan 8.310 nan 0.000 0.483 507 S N 1.537 117.226 115.700 -0.020 0.000 2.601 507 S HA 0.714 5.185 4.470 0.002 0.000 0.271 507 S C -0.702 173.872 174.600 -0.044 0.000 1.305 507 S CA -0.677 57.505 58.200 -0.031 0.000 1.022 507 S CB 0.636 63.818 63.200 -0.030 0.000 0.940 507 S HN 0.514 nan 8.310 nan 0.000 0.525 508 L N 1.750 122.932 121.223 -0.069 0.000 2.404 508 L HA 0.430 4.771 4.340 0.002 0.000 0.272 508 L C -0.866 175.915 176.870 -0.148 0.000 0.980 508 L CA -0.310 54.476 54.840 -0.089 0.000 0.836 508 L CB 1.817 43.828 42.059 -0.081 0.000 1.238 508 L HN 0.715 nan 8.230 nan 0.000 0.408 509 Q N 5.027 124.748 119.800 -0.131 0.000 2.286 509 Q HA 0.534 4.875 4.340 0.002 0.000 0.257 509 Q C -1.077 174.802 176.000 -0.202 0.000 0.941 509 Q CA -0.086 55.613 55.803 -0.173 0.000 0.912 509 Q CB 2.075 30.754 28.738 -0.099 0.000 1.192 509 Q HN 0.658 nan 8.270 nan 0.000 0.410 510 L N 0.455 121.481 121.223 -0.328 0.000 2.309 510 L HA 0.681 5.022 4.340 0.002 0.000 0.261 510 L C -0.250 176.578 176.870 -0.069 0.000 1.021 510 L CA -1.300 53.402 54.840 -0.230 0.000 0.823 510 L CB 1.827 43.706 42.059 -0.300 0.000 1.366 510 L HN 0.560 nan 8.230 nan 0.000 0.423 511 A N 1.020 123.849 122.820 0.016 0.000 2.409 511 A HA 0.442 4.763 4.320 0.002 0.000 0.262 511 A C -0.141 177.553 177.584 0.182 0.000 1.113 511 A CA -0.324 51.758 52.037 0.075 0.000 0.790 511 A CB 0.307 19.314 19.000 0.011 0.000 1.046 511 A HN 0.381 nan 8.150 nan 0.000 0.496 512 V N 5.349 125.372 119.914 0.182 0.000 2.540 512 V HA 0.061 4.182 4.120 0.002 0.000 0.297 512 V C -1.873 174.175 176.094 -0.077 0.000 1.024 512 V CA -0.499 61.791 62.300 -0.017 0.000 1.105 512 V CB 0.310 32.084 31.823 -0.083 0.000 0.938 512 V HN 0.760 nan 8.190 nan 0.000 0.482 513 P HA 0.113 nan 4.420 nan 0.000 0.265 513 P C -0.322 176.923 177.300 -0.093 0.000 1.193 513 P CA -0.198 62.807 63.100 -0.159 0.000 0.765 513 P CB 0.324 31.849 31.700 -0.291 0.000 0.823 514 R N 3.440 123.899 120.500 -0.067 0.000 2.570 514 R HA 0.250 4.591 4.340 0.002 0.000 0.277 514 R C -0.251 176.029 176.300 -0.033 0.000 1.039 514 R CA -0.232 55.842 56.100 -0.043 0.000 1.065 514 R CB -0.236 30.044 30.300 -0.032 0.000 0.964 514 R HN 0.376 nan 8.270 nan 0.000 0.428 515 I N 4.107 124.661 120.570 -0.026 0.000 2.379 515 I HA 0.171 4.342 4.170 0.002 0.000 0.290 515 I C 0.170 176.285 176.117 -0.004 0.000 1.063 515 I CA -0.280 61.010 61.300 -0.015 0.000 1.351 515 I CB 0.746 38.735 38.000 -0.018 0.000 1.410 515 I HN 0.584 nan 8.210 nan 0.000 0.505 516 V N 0.000 119.919 119.914 0.008 0.000 2.409 516 V HA 0.000 4.121 4.120 0.002 0.000 0.244 516 V CA 0.000 62.311 62.300 0.018 0.000 1.235 516 V CB 0.000 31.837 31.823 0.023 0.000 1.184 516 V HN 0.000 nan 8.190 nan 0.000 0.556