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 1ggm_1_A DATA FIRST_RESID 1 DATA SEQUENCE AASSLDELVA LCKRRGFIFQ SSEIYGGLQG VYDYGPLGVE LKNNLKQAWW DATA SEQUENCE RRNVYERDDM EGLDASVLTH RLVLHYSGHE ATFADPMVDN AKARYXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXWT PPRYFNMMFQ DLRGPRGGRG LLAYLRPETA QGIFVNFKNV DATA SEQUENCE LDATSRKLGF GIAQIGKAFR NEITPRNFIF RVREFEQMEI EYFVRPGEDE DATA SEQUENCE YWHRYWVEER LKWWQEMGLS RENLVPYQQP PESSAHYAKA TVDILYRFPH DATA SEQUENCE GSLELEGIAQ RTDFDLGSHT KDQEALGITA RVLRNEHSTQ RLAYRDPETG DATA SEQUENCE KWFVPYVIEP SAGVDRGVLA LLAEAFTREE LPNGEERIVL KLKPQLAPIK DATA SEQUENCE VAVIPLVKNR PEITEYAKRL KARLLALGLG RVLYEDTGNI GKAYRRHDEV DATA SEQUENCE GTPFAVTVDY DTIGQSKDGT TRLKDTVTVR DRDTMEQIRL HVDELEGFLR DATA SEQUENCE ERLRW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.667 177.584 0.138 0.000 1.274 1 A CA 0.000 52.116 52.037 0.131 0.000 0.836 1 A CB 0.000 19.049 19.000 0.081 0.000 0.831 2 A N 0.758 123.622 122.820 0.072 0.000 2.388 2 A HA 0.303 nan 4.320 nan 0.000 0.257 2 A C -0.258 177.249 177.584 -0.129 0.000 1.095 2 A CA 0.033 51.952 52.037 -0.196 0.000 0.791 2 A CB 0.644 19.213 19.000 -0.717 0.000 1.029 2 A HN -0.019 8.185 8.150 0.091 0.000 0.489 3 S N 1.526 117.146 115.700 -0.133 0.000 2.412 3 S HA 0.011 nan 4.470 nan 0.000 0.223 3 S C 0.630 175.175 174.600 -0.092 0.000 1.048 3 S CA 0.538 58.693 58.200 -0.075 0.000 0.954 3 S CB 1.183 64.360 63.200 -0.039 0.000 0.840 3 S HN -0.104 8.256 8.310 -0.163 -0.147 0.503 4 S N 1.473 117.088 115.700 -0.142 0.000 2.454 4 S HA 0.236 nan 4.470 nan 0.000 0.306 4 S C 0.124 174.623 174.600 -0.167 0.000 1.100 4 S CA -1.468 56.660 58.200 -0.122 0.000 1.087 4 S CB 2.852 65.994 63.200 -0.096 0.000 1.019 4 S HN -0.548 7.935 8.310 -0.193 -0.289 0.480 5 L N 5.409 126.563 121.223 -0.115 0.000 2.079 5 L HA -0.324 nan 4.340 nan 0.000 0.210 5 L C 1.253 177.999 176.870 -0.207 0.000 1.081 5 L CA 2.521 57.285 54.840 -0.128 0.000 0.752 5 L CB -1.148 40.849 42.059 -0.102 0.000 0.896 5 L HN 0.972 9.158 8.230 -0.074 0.000 0.433 6 D N -2.404 117.892 120.400 -0.174 0.000 2.126 6 D HA -0.407 nan 4.640 nan 0.000 0.190 6 D C 2.555 178.738 176.300 -0.195 0.000 1.001 6 D CA 4.386 58.278 54.000 -0.179 0.000 0.841 6 D CB -0.371 40.362 40.800 -0.113 0.000 0.949 6 D HN 0.361 8.643 8.370 -0.133 0.008 0.446 7 E N 0.090 120.184 120.200 -0.176 0.000 2.070 7 E HA -0.373 nan 4.350 nan 0.000 0.197 7 E C 2.666 179.171 176.600 -0.159 0.000 1.004 7 E CA 2.635 58.957 56.400 -0.130 0.000 0.805 7 E CB -0.216 29.372 29.700 -0.185 0.000 0.744 7 E HN -0.524 7.731 8.360 -0.175 0.000 0.451 8 L N -1.100 119.948 121.223 -0.292 0.000 1.990 8 L HA -0.387 nan 4.340 nan 0.000 0.213 8 L C 2.331 179.018 176.870 -0.304 0.000 1.072 8 L CA 3.563 58.275 54.840 -0.215 0.000 0.755 8 L CB -0.816 41.155 42.059 -0.148 0.000 0.889 8 L HN -0.648 7.371 8.230 -0.352 0.000 0.432 9 V N -1.303 118.215 119.914 -0.660 0.000 2.332 9 V HA -0.489 nan 4.120 nan 0.000 0.248 9 V C 1.967 177.796 176.094 -0.442 0.000 1.055 9 V CA 4.484 66.124 62.300 -1.100 0.000 1.038 9 V CB -1.064 30.223 31.823 -0.894 0.000 0.651 9 V HN 0.411 8.216 8.190 -0.533 0.065 0.450 10 A N -1.123 121.560 122.820 -0.229 0.000 1.929 10 A HA -0.203 nan 4.320 nan 0.000 0.216 10 A C 1.822 179.412 177.584 0.010 0.000 1.176 10 A CA 3.137 55.127 52.037 -0.078 0.000 0.628 10 A CB -0.509 18.465 19.000 -0.044 0.000 0.816 10 A HN 0.054 7.956 8.150 -0.237 0.105 0.444 11 L N -1.552 119.703 121.223 0.053 0.000 2.056 11 L HA -0.387 nan 4.340 nan 0.000 0.207 11 L C 1.555 178.519 176.870 0.156 0.000 1.078 11 L CA 3.219 58.138 54.840 0.131 0.000 0.749 11 L CB 0.021 42.208 42.059 0.214 0.000 0.901 11 L HN 0.278 8.526 8.230 0.030 0.000 0.433 12 C N -1.906 117.467 119.300 0.122 0.000 2.398 12 C HA -0.514 nan 4.460 nan 0.000 0.276 12 C C 1.847 176.895 174.990 0.097 0.000 1.222 12 C CA 4.430 63.570 59.018 0.204 0.000 1.746 12 C CB -2.017 25.917 27.740 0.323 0.000 2.039 12 C HN 0.003 8.263 8.230 0.050 0.000 0.470 13 K N -0.377 120.052 120.400 0.048 0.000 2.007 13 K HA -0.313 nan 4.320 nan 0.000 0.206 13 K C 2.630 179.293 176.600 0.104 0.000 1.047 13 K CA 3.055 59.369 56.287 0.045 0.000 0.937 13 K CB -0.363 32.207 32.500 0.116 0.000 0.718 13 K HN -0.492 7.781 8.250 0.038 0.000 0.438 14 R N -0.563 120.000 120.500 0.104 0.000 2.249 14 R HA -0.287 nan 4.340 nan 0.000 0.230 14 R C 0.835 177.195 176.300 0.100 0.000 1.121 14 R CA 2.580 58.744 56.100 0.107 0.000 0.997 14 R CB -0.120 30.229 30.300 0.082 0.000 0.867 14 R HN -0.249 8.071 8.270 0.084 0.000 0.465 15 R N -6.027 114.529 120.500 0.092 0.000 2.446 15 R HA 0.170 nan 4.340 nan 0.000 0.254 15 R C -0.611 175.652 176.300 -0.062 0.000 0.918 15 R CA -1.232 54.897 56.100 0.048 0.000 1.069 15 R CB 1.481 31.855 30.300 0.124 0.000 1.194 15 R HN -0.504 7.772 8.270 0.102 0.055 0.534 16 G N -1.423 107.283 108.800 -0.156 0.000 2.171 16 G HA2 -0.309 nan 3.960 nan 0.000 0.238 16 G HA3 -0.309 nan 3.960 nan 0.000 0.238 16 G C -0.115 174.514 174.900 -0.452 0.000 1.039 16 G CA 0.530 45.390 45.100 -0.400 0.000 0.759 16 G HN -0.322 7.769 8.290 -0.143 0.114 0.501 17 F N 0.874 120.617 119.950 -0.345 0.000 2.092 17 F HA 0.054 nan 4.527 nan 0.000 0.286 17 F C -0.344 175.319 175.800 -0.228 0.000 1.116 17 F CA 3.361 61.275 58.000 -0.144 0.000 1.185 17 F CB 1.445 40.431 39.000 -0.024 0.000 1.034 17 F HN 0.195 8.347 8.300 -0.089 0.094 0.479 18 I N -4.041 116.485 120.570 -0.073 0.000 2.498 18 I HA 0.162 nan 4.170 nan 0.000 0.290 18 I C -1.579 174.440 176.117 -0.165 0.000 1.032 18 I CA -0.867 60.341 61.300 -0.154 0.000 1.073 18 I CB 2.920 40.839 38.000 -0.135 0.000 1.251 18 I HN -0.759 7.357 8.210 0.022 0.107 0.426 19 F N 3.840 123.871 119.950 0.135 0.000 2.556 19 F HA 0.399 nan 4.527 nan 0.000 0.327 19 F C -1.288 174.523 175.800 0.018 0.000 1.059 19 F CA -2.246 55.807 58.000 0.088 0.000 0.953 19 F CB 3.584 42.612 39.000 0.046 0.000 1.227 19 F HN 0.752 9.016 8.300 0.126 0.112 0.478 20 Q N 1.295 121.170 119.800 0.125 0.000 2.297 20 Q HA 0.022 nan 4.340 nan 0.000 0.267 20 Q C -0.554 175.375 176.000 -0.119 0.000 1.006 20 Q CA -0.676 54.999 55.803 -0.213 0.000 0.896 20 Q CB 0.141 28.772 28.738 -0.178 0.000 1.186 20 Q HN 0.617 9.013 8.270 0.210 0.000 0.392 21 S N 5.302 120.899 115.700 -0.172 0.000 2.560 21 S HA -0.217 nan 4.470 nan 0.000 0.284 21 S C 0.389 174.969 174.600 -0.032 0.000 1.327 21 S CA 0.811 58.991 58.200 -0.033 0.000 1.055 21 S CB 0.220 63.431 63.200 0.017 0.000 0.868 21 S HN -0.236 7.854 8.310 -0.367 0.000 0.506 22 S N 4.891 120.593 115.700 0.003 0.000 3.521 22 S HA -0.494 nan 4.470 nan 0.000 0.362 22 S C 0.525 175.106 174.600 -0.033 0.000 1.044 22 S CA 1.247 59.455 58.200 0.014 0.000 1.091 22 S CB -1.331 61.910 63.200 0.067 0.000 0.908 22 S HN 0.577 9.040 8.310 0.021 -0.140 0.473 23 E N 0.907 121.062 120.200 -0.075 0.000 2.049 23 E HA -0.428 nan 4.350 nan 0.000 0.198 23 E C 1.721 178.235 176.600 -0.143 0.000 1.007 23 E CA 3.434 59.778 56.400 -0.095 0.000 0.809 23 E CB -0.414 29.233 29.700 -0.088 0.000 0.749 23 E HN -0.636 7.662 8.360 -0.066 0.022 0.450 24 I N -3.738 116.681 120.570 -0.253 0.000 2.315 24 I HA -0.269 nan 4.170 nan 0.000 0.251 24 I C 0.782 176.614 176.117 -0.476 0.000 1.125 24 I CA 2.529 63.588 61.300 -0.402 0.000 1.392 24 I CB -0.183 37.486 38.000 -0.552 0.000 1.065 24 I HN -0.175 7.889 8.210 -0.244 0.000 0.424 25 Y N -0.268 120.019 120.300 -0.022 0.000 2.625 25 Y HA 0.185 nan 4.550 nan 0.000 0.285 25 Y C 0.193 176.085 175.900 -0.015 0.000 1.168 25 Y CA -1.148 56.942 58.100 -0.016 0.000 1.250 25 Y CB -0.429 38.023 38.460 -0.013 0.000 1.130 25 Y HN -0.476 7.620 8.280 -0.268 0.024 0.526 26 G N -2.373 106.458 108.800 0.051 0.000 2.238 26 G HA2 -0.270 nan 3.960 nan 0.000 0.217 26 G HA3 -0.270 nan 3.960 nan 0.000 0.217 26 G C -0.124 174.785 174.900 0.015 0.000 0.996 26 G CA -0.488 44.633 45.100 0.036 0.000 0.632 26 G HN -0.018 8.085 8.290 -0.021 0.175 0.503 27 G N 0.171 108.982 108.800 0.017 0.000 2.862 27 G HA2 -0.379 nan 3.960 nan 0.000 0.686 27 G HA3 -0.379 nan 3.960 nan 0.000 0.686 27 G C -1.392 173.515 174.900 0.012 0.000 1.134 27 G CA -0.338 44.757 45.100 -0.008 0.000 0.791 27 G HN -0.474 7.776 8.290 0.039 0.065 0.592 28 L N 4.011 125.241 121.223 0.012 0.000 2.314 28 L HA 0.209 nan 4.340 nan 0.000 0.275 28 L C -0.763 176.131 176.870 0.039 0.000 1.068 28 L CA -2.135 52.729 54.840 0.041 0.000 0.894 28 L CB 0.583 42.675 42.059 0.057 0.000 1.275 28 L HN -0.161 8.064 8.230 -0.007 0.000 0.432 29 Q N 6.023 125.850 119.800 0.045 0.000 2.269 29 Q HA -0.191 nan 4.340 nan 0.000 0.300 29 Q C 0.338 176.417 176.000 0.132 0.000 1.070 29 Q CA 1.105 56.948 55.803 0.066 0.000 0.957 29 Q CB -0.306 28.471 28.738 0.065 0.000 1.131 29 Q HN -0.082 8.214 8.270 0.042 0.000 0.377 30 G N 0.020 108.938 108.800 0.196 0.000 2.176 30 G HA2 -0.338 nan 3.960 nan 0.000 0.232 30 G HA3 -0.338 nan 3.960 nan 0.000 0.232 30 G C -2.020 173.055 174.900 0.291 0.000 0.986 30 G CA -0.240 45.009 45.100 0.248 0.000 0.643 30 G HN 0.536 8.953 8.290 0.211 0.000 0.522 31 V N -2.980 117.097 119.914 0.271 0.000 2.623 31 V HA 0.568 nan 4.120 nan 0.000 0.304 31 V C -2.347 173.885 176.094 0.230 0.000 1.054 31 V CA -1.742 60.720 62.300 0.269 0.000 0.882 31 V CB 2.490 34.426 31.823 0.188 0.000 1.002 31 V HN -0.639 7.601 8.190 0.170 0.052 0.424 32 Y N 4.629 124.953 120.300 0.040 0.000 2.630 32 Y HA 0.733 nan 4.550 nan 0.000 0.337 32 Y C -0.962 174.947 175.900 0.015 0.000 1.051 32 Y CA -2.237 55.864 58.100 0.002 0.000 1.121 32 Y CB 3.304 41.693 38.460 -0.118 0.000 1.299 32 Y HN -0.007 8.512 8.280 0.398 0.000 0.498 33 D N -0.884 119.618 120.400 0.169 0.000 2.350 33 D HA 0.272 nan 4.640 nan 0.000 0.245 33 D C -1.579 174.789 176.300 0.112 0.000 1.036 33 D CA -1.466 52.644 54.000 0.184 0.000 0.848 33 D CB 3.296 44.224 40.800 0.214 0.000 1.307 33 D HN 0.595 9.066 8.370 0.168 0.000 0.469 34 Y N 1.148 121.552 120.300 0.173 0.000 2.404 34 Y HA 0.096 nan 4.550 nan 0.000 0.344 34 Y C 0.435 176.426 175.900 0.151 0.000 0.970 34 Y CA -0.061 58.118 58.100 0.132 0.000 1.180 34 Y CB 0.833 39.352 38.460 0.098 0.000 1.138 34 Y HN 0.129 8.657 8.280 0.414 0.000 0.510 35 G N 4.829 113.745 108.800 0.193 0.000 2.553 35 G HA2 0.261 nan 3.960 nan 0.000 0.278 35 G HA3 0.261 nan 3.960 nan 0.000 0.278 35 G C -1.721 173.267 174.900 0.148 0.000 1.349 35 G CA -1.734 43.515 45.100 0.248 0.000 1.037 35 G HN 0.361 8.546 8.290 0.004 0.108 0.508 36 P HA -0.351 nan 4.420 nan 0.000 0.212 36 P C 1.458 178.723 177.300 -0.057 0.000 1.174 36 P CA 3.292 66.416 63.100 0.040 0.000 0.934 36 P CB 0.156 31.878 31.700 0.036 0.000 0.791 37 L N -5.010 116.064 121.223 -0.248 0.000 2.201 37 L HA -0.249 nan 4.340 nan 0.000 0.212 37 L C 2.314 179.004 176.870 -0.300 0.000 1.105 37 L CA 2.948 57.505 54.840 -0.472 0.000 0.775 37 L CB -0.582 40.840 42.059 -1.063 0.000 0.913 37 L HN -0.556 7.508 8.230 -0.278 0.000 0.440 38 G N -0.091 108.684 108.800 -0.042 0.000 2.453 38 G HA2 -0.340 nan 3.960 nan 0.000 0.215 38 G HA3 -0.340 nan 3.960 nan 0.000 0.215 38 G C 1.158 176.241 174.900 0.305 0.000 1.201 38 G CA 2.213 47.592 45.100 0.464 0.000 0.784 38 G HN -0.712 7.474 8.290 -0.120 0.032 0.545 39 V N 3.062 123.088 119.914 0.187 0.000 2.222 39 V HA -0.607 nan 4.120 nan 0.000 0.252 39 V C 2.413 178.525 176.094 0.029 0.000 1.060 39 V CA 4.112 66.441 62.300 0.048 0.000 1.027 39 V CB -1.020 30.838 31.823 0.059 0.000 0.644 39 V HN 0.178 8.490 8.190 0.204 0.000 0.448 40 E N -1.335 118.897 120.200 0.053 0.000 2.065 40 E HA -0.449 nan 4.350 nan 0.000 0.201 40 E C 2.374 179.033 176.600 0.098 0.000 1.016 40 E CA 2.761 59.199 56.400 0.063 0.000 0.818 40 E CB -0.789 28.944 29.700 0.055 0.000 0.749 40 E HN -0.726 7.662 8.360 0.046 0.000 0.453 41 L N -0.342 120.974 121.223 0.155 0.000 1.990 41 L HA -0.375 nan 4.340 nan 0.000 0.213 41 L C 1.618 178.567 176.870 0.132 0.000 1.072 41 L CA 3.120 58.081 54.840 0.201 0.000 0.755 41 L CB -0.221 42.050 42.059 0.352 0.000 0.889 41 L HN -0.395 7.936 8.230 0.168 0.000 0.432 42 K N -1.516 118.919 120.400 0.058 0.000 2.032 42 K HA -0.520 nan 4.320 nan 0.000 0.209 42 K C 2.121 178.707 176.600 -0.024 0.000 1.048 42 K CA 3.987 60.238 56.287 -0.060 0.000 0.927 42 K CB -0.349 31.937 32.500 -0.356 0.000 0.712 42 K HN 0.147 8.442 8.250 0.076 0.000 0.441 43 N N -0.503 118.187 118.700 -0.018 0.000 2.084 43 N HA -0.396 nan 4.740 nan 0.000 0.190 43 N C 2.180 177.725 175.510 0.059 0.000 1.030 43 N CA 3.568 56.619 53.050 0.001 0.000 0.849 43 N CB -0.126 38.362 38.487 0.001 0.000 1.012 43 N HN 0.207 8.471 8.380 -0.018 0.105 0.423 44 N N 1.144 119.905 118.700 0.100 0.000 2.149 44 N HA -0.375 nan 4.740 nan 0.000 0.188 44 N C 2.199 177.830 175.510 0.201 0.000 1.019 44 N CA 3.008 56.154 53.050 0.160 0.000 0.857 44 N CB -0.015 38.587 38.487 0.192 0.000 0.997 44 N HN 0.185 8.621 8.380 0.093 0.000 0.426 45 L N 0.483 121.817 121.223 0.186 0.000 2.044 45 L HA -0.264 nan 4.340 nan 0.000 0.205 45 L C 0.827 177.867 176.870 0.282 0.000 1.075 45 L CA 2.998 57.990 54.840 0.253 0.000 0.747 45 L CB -0.357 41.834 42.059 0.220 0.000 0.903 45 L HN -0.043 8.167 8.230 0.144 0.106 0.435 46 K N -1.288 119.203 120.400 0.152 0.000 2.020 46 K HA -0.509 nan 4.320 nan 0.000 0.212 46 K C 2.560 179.289 176.600 0.216 0.000 1.050 46 K CA 3.838 60.198 56.287 0.122 0.000 0.929 46 K CB -0.331 32.180 32.500 0.017 0.000 0.714 46 K HN 0.002 8.311 8.250 0.098 0.000 0.443 47 Q N -1.538 118.344 119.800 0.137 0.000 2.077 47 Q HA -0.372 nan 4.340 nan 0.000 0.206 47 Q C 2.465 178.518 176.000 0.087 0.000 0.989 47 Q CA 3.008 58.864 55.803 0.088 0.000 0.853 47 Q CB -0.181 28.574 28.738 0.030 0.000 0.907 47 Q HN 0.274 8.607 8.270 0.104 0.000 0.418 48 A N -1.095 121.802 122.820 0.128 0.000 1.972 48 A HA -0.240 nan 4.320 nan 0.000 0.219 48 A C 1.854 179.555 177.584 0.195 0.000 1.169 48 A CA 2.829 54.905 52.037 0.065 0.000 0.635 48 A CB -0.946 18.185 19.000 0.218 0.000 0.810 48 A HN -0.429 7.835 8.150 0.190 0.000 0.446 49 W N -0.555 120.778 121.300 0.056 0.000 2.388 49 W HA -0.283 nan 4.660 nan 0.000 0.294 49 W C 0.963 177.290 176.519 -0.320 0.000 1.212 49 W CA 4.023 61.133 57.345 -0.392 0.000 1.271 49 W CB 0.493 29.710 29.460 -0.405 0.000 1.126 49 W HN -0.482 7.970 8.180 0.484 0.019 0.535 50 W N -1.156 120.108 121.300 -0.060 0.000 2.409 50 W HA -0.389 nan 4.660 nan 0.000 0.299 50 W C 1.693 177.883 176.519 -0.548 0.000 1.203 50 W CA 3.244 60.434 57.345 -0.258 0.000 1.298 50 W CB 0.464 29.814 29.460 -0.182 0.000 1.127 50 W HN -0.364 7.950 8.180 0.392 0.101 0.528 51 R N -0.688 119.635 120.500 -0.295 0.000 2.080 51 R HA -0.549 nan 4.340 nan 0.000 0.236 51 R C 1.643 177.760 176.300 -0.304 0.000 1.137 51 R CA 4.112 59.975 56.100 -0.395 0.000 0.943 51 R CB -0.189 29.933 30.300 -0.297 0.000 0.846 51 R HN 0.348 8.431 8.270 -0.134 0.106 0.431 52 R N -0.820 119.492 120.500 -0.313 0.000 2.088 52 R HA -0.297 nan 4.340 nan 0.000 0.232 52 R C 1.900 177.942 176.300 -0.429 0.000 1.136 52 R CA 2.530 58.438 56.100 -0.319 0.000 0.926 52 R CB -0.528 29.554 30.300 -0.363 0.000 0.837 52 R HN -0.074 8.027 8.270 -0.283 0.000 0.429 53 N N -3.977 114.296 118.700 -0.712 0.000 2.521 53 N HA -0.076 nan 4.740 nan 0.000 0.188 53 N C 0.735 175.893 175.510 -0.586 0.000 1.146 53 N CA 1.714 54.335 53.050 -0.715 0.000 0.893 53 N CB 0.540 38.325 38.487 -1.171 0.000 0.975 53 N HN -0.121 7.714 8.380 -0.909 0.000 0.451 54 V N -2.517 117.070 119.914 -0.545 0.000 3.161 54 V HA 0.104 nan 4.120 nan 0.000 0.221 54 V C 0.524 176.643 176.094 0.041 0.000 1.296 54 V CA 1.677 63.759 62.300 -0.364 0.000 1.306 54 V CB 0.802 32.226 31.823 -0.666 0.000 1.171 54 V HN -0.383 7.425 8.190 -0.549 0.053 0.513 55 Y N -2.331 117.888 120.300 -0.136 0.000 2.163 55 Y HA -0.221 nan 4.550 nan 0.000 0.288 55 Y C 2.169 178.035 175.900 -0.057 0.000 1.136 55 Y CA 0.302 58.375 58.100 -0.046 0.000 1.147 55 Y CB -0.227 38.236 38.460 0.004 0.000 0.987 55 Y HN -0.708 7.506 8.280 -0.109 0.000 0.509 56 E N -2.526 117.725 120.200 0.086 0.000 2.358 56 E HA -0.179 nan 4.350 nan 0.000 0.195 56 E C 0.508 177.109 176.600 0.002 0.000 1.010 56 E CA 1.226 57.642 56.400 0.025 0.000 0.856 56 E CB 0.210 29.901 29.700 -0.015 0.000 0.795 56 E HN -0.425 7.953 8.360 0.030 0.000 0.504 57 R N -1.257 119.232 120.500 -0.018 0.000 2.531 57 R HA 0.109 nan 4.340 nan 0.000 0.260 57 R C -0.961 175.351 176.300 0.020 0.000 1.144 57 R CA 0.186 56.281 56.100 -0.008 0.000 1.171 57 R CB 1.170 31.452 30.300 -0.030 0.000 1.199 57 R HN -0.529 7.579 8.270 -0.034 0.141 0.594 58 D N -1.634 118.789 120.400 0.039 0.000 2.712 58 D HA 0.156 nan 4.640 nan 0.000 0.300 58 D C -1.570 174.763 176.300 0.056 0.000 1.521 58 D CA 0.682 54.705 54.000 0.038 0.000 0.790 58 D CB 0.455 41.275 40.800 0.034 0.000 1.155 58 D HN 0.310 8.712 8.370 0.053 0.000 0.456 59 D N -4.523 115.931 120.400 0.090 0.000 2.672 59 D HA 0.088 nan 4.640 nan 0.000 0.287 59 D C -1.717 174.699 176.300 0.194 0.000 1.559 59 D CA -0.104 53.979 54.000 0.139 0.000 0.796 59 D CB 0.821 41.740 40.800 0.198 0.000 1.181 59 D HN 0.044 8.466 8.370 0.086 0.000 0.458 60 M N -1.533 118.134 119.600 0.111 0.000 2.395 60 M HA 0.567 nan 4.480 nan 0.000 0.307 60 M C -1.343 174.975 176.300 0.030 0.000 1.091 60 M CA -0.295 55.052 55.300 0.079 0.000 0.919 60 M CB 4.093 36.674 32.600 -0.032 0.000 1.662 60 M HN -0.466 7.862 8.290 0.064 0.000 0.440 61 E N 1.864 122.093 120.200 0.049 0.000 2.227 61 E HA 0.364 nan 4.350 nan 0.000 0.268 61 E C -0.991 175.607 176.600 -0.004 0.000 0.907 61 E CA -2.116 54.305 56.400 0.036 0.000 0.786 61 E CB 4.291 34.029 29.700 0.064 0.000 1.191 61 E HN 0.345 8.759 8.360 0.090 0.000 0.411 62 G N 1.577 110.417 108.800 0.068 0.000 2.502 62 G HA2 0.597 nan 3.960 nan 0.000 0.305 62 G HA3 0.597 nan 3.960 nan 0.000 0.305 62 G C -2.043 172.981 174.900 0.207 0.000 1.190 62 G CA -0.716 44.467 45.100 0.138 0.000 0.933 62 G HN 0.172 8.536 8.290 0.124 0.000 0.503 63 L N -1.890 119.504 121.223 0.284 0.000 2.720 63 L HA 0.329 nan 4.340 nan 0.000 0.261 63 L C -2.569 174.416 176.870 0.193 0.000 1.046 63 L CA -0.036 54.909 54.840 0.175 0.000 0.886 63 L CB 4.260 46.361 42.059 0.071 0.000 1.493 63 L HN -0.258 8.235 8.230 0.438 0.000 0.407 64 D N 0.697 121.154 120.400 0.094 0.000 2.351 64 D HA 0.155 nan 4.640 nan 0.000 0.235 64 D C -1.863 174.449 176.300 0.019 0.000 1.331 64 D CA -0.129 53.902 54.000 0.051 0.000 0.959 64 D CB 0.546 41.358 40.800 0.020 0.000 1.432 64 D HN -0.213 8.199 8.370 0.070 0.000 0.544 65 A N 2.744 125.568 122.820 0.006 0.000 2.257 65 A HA 0.347 nan 4.320 nan 0.000 0.289 65 A C -0.832 176.752 177.584 -0.001 0.000 1.095 65 A CA -0.948 51.087 52.037 -0.003 0.000 0.836 65 A CB 2.116 21.105 19.000 -0.018 0.000 1.111 65 A HN -0.437 7.902 8.150 0.004 -0.186 0.497 66 S N -1.964 113.738 115.700 0.003 0.000 2.645 66 S HA 0.034 nan 4.470 nan 0.000 0.266 66 S C 1.069 175.684 174.600 0.024 0.000 1.258 66 S CA -1.142 57.065 58.200 0.012 0.000 0.990 66 S CB 1.631 64.837 63.200 0.010 0.000 0.967 66 S HN -0.051 8.260 8.310 0.002 0.000 0.556 67 V N 0.430 120.370 119.914 0.044 0.000 2.591 67 V HA -0.121 nan 4.120 nan 0.000 0.249 67 V C -0.083 176.037 176.094 0.042 0.000 1.053 67 V CA 1.886 64.235 62.300 0.081 0.000 1.068 67 V CB 0.006 31.931 31.823 0.169 0.000 0.689 67 V HN 0.471 8.684 8.190 0.039 0.000 0.462 68 L N -2.066 119.167 121.223 0.017 0.000 2.418 68 L HA 0.002 nan 4.340 nan 0.000 0.274 68 L C -0.563 176.336 176.870 0.048 0.000 1.135 68 L CA 0.388 55.238 54.840 0.017 0.000 0.870 68 L CB -0.348 41.712 42.059 0.001 0.000 1.154 68 L HN -0.549 7.689 8.230 0.013 0.000 0.462 69 T N 6.619 121.220 114.554 0.079 0.000 2.779 69 T HA 0.337 nan 4.350 nan 0.000 0.280 69 T C -1.240 173.565 174.700 0.176 0.000 0.987 69 T CA -1.075 61.091 62.100 0.109 0.000 0.966 69 T CB 1.421 70.340 68.868 0.086 0.000 0.933 69 T HN 0.376 8.666 8.240 0.084 0.000 0.442 70 H N 5.792 124.903 119.070 0.069 0.000 2.964 70 H HA -0.113 nan 4.556 nan 0.000 0.328 70 H C 0.823 176.229 175.328 0.129 0.000 1.030 70 H CA 0.288 56.383 56.048 0.078 0.000 1.445 70 H CB 1.185 30.988 29.762 0.068 0.000 1.449 70 H HN 0.529 8.950 8.280 0.234 0.000 0.581 71 R N 6.861 127.335 120.500 -0.044 0.000 2.165 71 R HA -0.456 nan 4.340 nan 0.000 0.254 71 R C 1.724 177.945 176.300 -0.131 0.000 1.153 71 R CA 4.057 60.130 56.100 -0.045 0.000 0.971 71 R CB -0.115 30.146 30.300 -0.065 0.000 0.878 71 R HN 0.391 8.780 8.270 0.198 0.000 0.449 72 L N -3.008 117.903 121.223 -0.520 0.000 2.046 72 L HA -0.336 nan 4.340 nan 0.000 0.208 72 L C 1.814 178.737 176.870 0.088 0.000 1.077 72 L CA 2.719 57.446 54.840 -0.188 0.000 0.747 72 L CB -0.245 41.675 42.059 -0.232 0.000 0.896 72 L HN -0.523 6.908 8.230 -1.304 0.016 0.432 73 V N -0.557 119.411 119.914 0.090 0.000 2.250 73 V HA -0.476 nan 4.120 nan 0.000 0.250 73 V C 2.293 178.531 176.094 0.239 0.000 1.060 73 V CA 4.258 66.700 62.300 0.237 0.000 1.030 73 V CB -0.839 31.065 31.823 0.135 0.000 0.643 73 V HN -0.158 8.015 8.190 -0.029 0.000 0.445 74 L N -4.993 116.303 121.223 0.121 0.000 2.552 74 L HA -0.194 nan 4.340 nan 0.000 0.227 74 L C 1.791 178.722 176.870 0.102 0.000 1.146 74 L CA 1.757 56.637 54.840 0.067 0.000 0.858 74 L CB -1.141 40.846 42.059 -0.119 0.000 0.969 74 L HN -0.391 7.902 8.230 0.105 0.000 0.451 75 H N 2.513 121.585 119.070 0.004 0.000 2.317 75 H HA -0.160 nan 4.556 nan 0.000 0.304 75 H C 2.543 177.804 175.328 -0.111 0.000 1.067 75 H CA 3.686 59.682 56.048 -0.086 0.000 1.352 75 H CB 0.128 29.775 29.762 -0.191 0.000 1.398 75 H HN -0.065 8.126 8.280 0.168 0.190 0.510 76 Y N -0.582 119.476 120.300 -0.403 0.000 2.421 76 Y HA -0.240 nan 4.550 nan 0.000 0.292 76 Y C 1.017 176.675 175.900 -0.403 0.000 1.136 76 Y CA 3.086 60.888 58.100 -0.498 0.000 1.255 76 Y CB -0.146 38.022 38.460 -0.487 0.000 0.991 76 Y HN -0.043 8.222 8.280 -0.026 0.000 0.552 77 S N -4.745 110.919 115.700 -0.059 0.000 2.562 77 S HA -0.151 nan 4.470 nan 0.000 0.221 77 S C 1.018 175.778 174.600 0.267 0.000 0.975 77 S CA 0.510 58.764 58.200 0.089 0.000 0.918 77 S CB 0.292 63.699 63.200 0.344 0.000 0.772 77 S HN -0.735 7.566 8.310 0.036 0.031 0.531 78 G N 0.719 109.576 108.800 0.094 0.000 2.143 78 G HA2 -0.415 nan 3.960 nan 0.000 0.248 78 G HA3 -0.415 nan 3.960 nan 0.000 0.248 78 G C 0.687 175.592 174.900 0.007 0.000 0.991 78 G CA 1.107 46.230 45.100 0.038 0.000 0.689 78 G HN -0.374 7.696 8.290 -0.016 0.209 0.522 79 H N 1.946 121.048 119.070 0.053 0.000 2.363 79 H HA -0.211 nan 4.556 nan 0.000 0.301 79 H C 1.912 177.211 175.328 -0.047 0.000 1.074 79 H CA 4.601 60.669 56.048 0.032 0.000 1.354 79 H CB 0.194 29.890 29.762 -0.110 0.000 1.397 79 H HN 0.182 8.545 8.280 0.214 0.045 0.516 80 E N 0.430 120.640 120.200 0.016 0.000 2.051 80 E HA -0.312 nan 4.350 nan 0.000 0.192 80 E C 0.996 177.616 176.600 0.034 0.000 0.991 80 E CA 2.818 59.199 56.400 -0.031 0.000 0.799 80 E CB -0.207 29.551 29.700 0.098 0.000 0.748 80 E HN 0.266 8.560 8.360 0.065 0.105 0.449 81 A N -3.011 119.843 122.820 0.056 0.000 1.929 81 A HA -0.098 nan 4.320 nan 0.000 0.216 81 A C 1.413 178.986 177.584 -0.018 0.000 1.176 81 A CA 2.108 54.159 52.037 0.024 0.000 0.628 81 A CB 0.404 19.416 19.000 0.020 0.000 0.816 81 A HN 0.328 8.522 8.150 0.073 0.000 0.444 82 T N -3.832 110.686 114.554 -0.060 0.000 2.980 82 T HA 0.215 nan 4.350 nan 0.000 0.252 82 T C -0.361 174.286 174.700 -0.089 0.000 0.962 82 T CA 0.229 62.258 62.100 -0.119 0.000 0.932 82 T CB 1.572 70.229 68.868 -0.352 0.000 1.188 82 T HN -0.016 8.088 8.240 -0.054 0.103 0.500 83 F N 6.408 126.253 119.950 -0.175 0.000 2.574 83 F HA -0.314 nan 4.527 nan 0.000 0.332 83 F C -2.304 173.446 175.800 -0.084 0.000 1.289 83 F CA 0.432 58.372 58.000 -0.100 0.000 1.029 83 F CB -0.680 38.308 39.000 -0.020 0.000 1.346 83 F HN -0.635 7.615 8.300 0.085 0.101 0.647 84 A N 5.823 128.528 122.820 -0.192 0.000 2.597 84 A HA 0.191 nan 4.320 nan 0.000 0.292 84 A C -2.207 175.270 177.584 -0.180 0.000 1.057 84 A CA -0.139 51.821 52.037 -0.127 0.000 0.674 84 A CB 3.583 22.575 19.000 -0.014 0.000 1.278 84 A HN -0.095 7.873 8.150 -0.298 0.003 0.416 85 D N -0.161 120.186 120.400 -0.089 0.000 2.375 85 D HA 0.415 nan 4.640 nan 0.000 0.247 85 D C -1.772 174.514 176.300 -0.023 0.000 1.061 85 D CA -2.760 51.191 54.000 -0.082 0.000 0.834 85 D CB 1.717 42.528 40.800 0.019 0.000 1.247 85 D HN 0.205 8.457 8.370 -0.032 0.099 0.489 86 P HA -0.039 nan 4.420 nan 0.000 0.263 86 P C -1.408 175.928 177.300 0.060 0.000 1.276 86 P CA 0.386 63.441 63.100 -0.076 0.000 0.986 86 P CB -0.276 31.319 31.700 -0.176 0.000 1.105 87 M N 5.423 125.110 119.600 0.145 0.000 2.314 87 M HA 0.279 nan 4.480 nan 0.000 0.342 87 M C -1.648 174.752 176.300 0.167 0.000 1.171 87 M CA -0.166 55.223 55.300 0.149 0.000 1.098 87 M CB 2.819 35.512 32.600 0.155 0.000 1.559 87 M HN 0.638 8.957 8.290 0.193 0.087 0.459 88 V N -0.606 119.446 119.914 0.229 0.000 3.048 88 V HA 0.480 nan 4.120 nan 0.000 0.303 88 V C -2.357 174.089 176.094 0.587 0.000 1.214 88 V CA -1.865 60.661 62.300 0.377 0.000 0.984 88 V CB 3.653 35.672 31.823 0.326 0.000 1.054 88 V HN 0.059 8.388 8.190 0.231 0.000 0.430 89 D N 1.367 122.053 120.400 0.476 0.000 2.490 89 D HA 0.571 nan 4.640 nan 0.000 0.232 89 D C -1.288 174.779 176.300 -0.388 0.000 1.053 89 D CA -2.118 51.906 54.000 0.039 0.000 0.914 89 D CB 2.761 43.534 40.800 -0.045 0.000 1.431 89 D HN 0.058 8.713 8.370 0.476 0.000 0.483 90 N N -0.055 118.116 118.700 -0.881 0.000 2.205 90 N HA 0.025 nan 4.740 nan 0.000 0.214 90 N C -0.593 174.625 175.510 -0.488 0.000 1.196 90 N CA 0.485 52.836 53.050 -1.166 0.000 1.092 90 N CB 1.254 38.837 38.487 -1.507 0.000 1.422 90 N HN 0.010 8.028 8.380 -0.603 0.000 0.483 91 A N -3.930 118.673 122.820 -0.362 0.000 2.661 91 A HA 0.318 nan 4.320 nan 0.000 0.278 91 A C -1.214 176.284 177.584 -0.143 0.000 1.090 91 A CA 0.421 52.343 52.037 -0.192 0.000 0.969 91 A CB 0.462 19.374 19.000 -0.147 0.000 1.240 91 A HN 0.063 7.975 8.150 -0.397 0.000 0.578 92 K N -2.828 117.471 120.400 -0.167 0.000 2.830 92 K HA 0.178 nan 4.320 nan 0.000 0.248 92 K C -0.554 175.959 176.600 -0.145 0.000 2.020 92 K CA -0.341 55.879 56.287 -0.111 0.000 1.136 92 K CB 0.697 33.163 32.500 -0.056 0.000 2.323 92 K HN -0.168 7.858 8.250 -0.239 0.081 0.385 93 A N 0.368 123.086 122.820 -0.170 0.000 2.389 93 A HA 0.398 nan 4.320 nan 0.000 0.293 93 A C -1.538 175.744 177.584 -0.504 0.000 1.186 93 A CA -1.369 50.456 52.037 -0.353 0.000 0.828 93 A CB 2.044 20.758 19.000 -0.477 0.000 1.369 93 A HN 0.011 8.117 8.150 -0.073 0.000 0.446 94 R N -1.713 118.443 120.500 -0.573 0.000 2.536 94 R HA 0.737 nan 4.340 nan 0.000 0.279 94 R C -0.941 174.965 176.300 -0.657 0.000 1.001 94 R CA -0.878 55.008 56.100 -0.355 0.000 1.027 94 R CB 1.089 31.242 30.300 -0.246 0.000 1.096 94 R HN 0.126 8.083 8.270 -0.522 0.000 0.502 160 T N 0.327 115.046 114.554 0.275 0.000 2.734 160 T HA 0.187 nan 4.350 nan 0.000 0.314 160 T C -0.911 173.904 174.700 0.192 0.000 1.057 160 T CA -1.428 60.780 62.100 0.180 0.000 1.047 160 T CB -0.243 68.700 68.868 0.124 0.000 0.991 160 T HN -0.142 8.391 8.240 0.234 -0.152 0.540 161 P HA 0.273 nan 4.420 nan 0.000 0.268 161 P C -1.212 176.159 177.300 0.118 0.000 1.205 161 P CA -1.518 61.644 63.100 0.103 0.000 0.771 161 P CB -0.984 30.761 31.700 0.074 0.000 0.858 162 P HA 0.486 nan 4.420 nan 0.000 0.275 162 P C -1.494 175.890 177.300 0.140 0.000 1.266 162 P CA -0.326 62.847 63.100 0.123 0.000 0.793 162 P CB 0.870 32.620 31.700 0.084 0.000 1.074 163 R N -5.336 115.274 120.500 0.185 0.000 2.712 163 R HA 0.165 nan 4.340 nan 0.000 0.272 163 R C -2.467 174.040 176.300 0.345 0.000 1.032 163 R CA -1.448 54.786 56.100 0.224 0.000 0.874 163 R CB 0.936 31.336 30.300 0.167 0.000 1.256 163 R HN 0.611 8.992 8.270 0.185 0.000 0.468 164 Y N -0.703 119.645 120.300 0.079 0.000 2.359 164 Y HA 0.181 nan 4.550 nan 0.000 0.334 164 Y C -0.783 175.203 175.900 0.143 0.000 1.058 164 Y CA -1.300 56.848 58.100 0.079 0.000 1.244 164 Y CB -0.054 38.420 38.460 0.023 0.000 1.187 164 Y HN 0.169 8.661 8.280 0.353 0.000 0.510 165 F N 7.042 127.077 119.950 0.142 0.000 2.361 165 F HA 0.204 nan 4.527 nan 0.000 0.364 165 F C -1.669 174.187 175.800 0.095 0.000 1.117 165 F CA -2.091 55.970 58.000 0.102 0.000 1.071 165 F CB 1.783 40.823 39.000 0.067 0.000 1.188 165 F HN 0.927 9.264 8.300 0.312 0.151 0.464 166 N N 8.533 126.871 118.700 -0.602 0.000 2.492 166 N HA -0.017 nan 4.740 nan 0.000 0.260 166 N C -0.584 174.318 175.510 -1.012 0.000 1.215 166 N CA 0.892 53.630 53.050 -0.520 0.000 0.923 166 N CB 0.753 39.112 38.487 -0.212 0.000 1.092 166 N HN 0.535 8.715 8.380 -0.333 0.000 0.448 167 M N 2.906 122.270 119.600 -0.393 0.000 2.371 167 M HA 0.137 nan 4.480 nan 0.000 0.246 167 M C -0.566 175.637 176.300 -0.162 0.000 1.103 167 M CA 0.315 55.473 55.300 -0.236 0.000 1.010 167 M CB 0.876 33.540 32.600 0.107 0.000 1.457 167 M HN -0.070 8.177 8.290 -0.071 0.000 0.486 168 M N 0.108 119.630 119.600 -0.128 0.000 2.200 168 M HA -0.002 nan 4.480 nan 0.000 0.355 168 M C -0.514 175.836 176.300 0.082 0.000 1.283 168 M CA 0.426 55.662 55.300 -0.107 0.000 1.124 168 M CB 0.430 32.849 32.600 -0.302 0.000 1.625 168 M HN -0.369 8.170 8.290 -0.118 -0.320 0.463 169 F N 3.449 123.519 119.950 0.200 0.000 2.506 169 F HA -0.039 nan 4.527 nan 0.000 0.351 169 F C -0.083 175.829 175.800 0.187 0.000 1.136 169 F CA 1.033 59.137 58.000 0.173 0.000 1.298 169 F CB 0.805 39.859 39.000 0.090 0.000 1.145 169 F HN 0.288 8.722 8.300 0.223 0.000 0.593 170 Q N 2.521 122.481 119.800 0.266 0.000 2.365 170 Q HA 0.539 nan 4.340 nan 0.000 0.269 170 Q C -1.544 174.436 176.000 -0.033 0.000 1.061 170 Q CA -0.922 54.874 55.803 -0.011 0.000 0.816 170 Q CB 3.556 32.224 28.738 -0.118 0.000 1.325 170 Q HN 0.039 8.501 8.270 0.320 0.000 0.446 171 D N 1.722 122.058 120.400 -0.106 0.000 2.583 171 D HA 0.363 nan 4.640 nan 0.000 0.248 171 D C -2.515 173.731 176.300 -0.090 0.000 1.209 171 D CA -1.085 52.867 54.000 -0.081 0.000 0.848 171 D CB 4.254 45.006 40.800 -0.080 0.000 1.431 171 D HN 0.583 8.845 8.370 -0.180 0.000 0.436 172 L N -1.322 119.862 121.223 -0.064 0.000 2.346 172 L HA 0.491 nan 4.340 nan 0.000 0.274 172 L C -0.672 176.174 176.870 -0.038 0.000 1.007 172 L CA -1.074 53.734 54.840 -0.053 0.000 0.818 172 L CB 2.252 44.284 42.059 -0.046 0.000 1.284 172 L HN 0.024 8.220 8.230 -0.056 0.000 0.424 173 R N 3.335 123.818 120.500 -0.029 0.000 2.893 173 R HA -0.014 nan 4.340 nan 0.000 0.243 173 R C 0.435 176.723 176.300 -0.021 0.000 1.481 173 R CA -1.248 54.839 56.100 -0.023 0.000 1.250 173 R CB -2.088 28.202 30.300 -0.016 0.000 1.213 173 R HN 0.393 8.506 8.270 -0.027 0.141 0.609 174 G N 5.967 114.754 108.800 -0.023 0.000 2.598 174 G HA2 -0.347 nan 3.960 nan 0.000 0.244 174 G HA3 -0.347 nan 3.960 nan 0.000 0.244 174 G C -2.117 172.772 174.900 -0.018 0.000 1.302 174 G CA -0.775 44.313 45.100 -0.020 0.000 0.903 174 G HN -0.478 7.797 8.290 -0.026 0.000 0.575 175 P HA -0.330 nan 4.420 nan 0.000 0.268 175 P C -1.450 175.842 177.300 -0.014 0.000 0.791 175 P CA 1.755 64.847 63.100 -0.013 0.000 1.007 175 P CB 0.150 31.843 31.700 -0.011 0.000 0.863 176 R N -2.864 117.628 120.500 -0.014 0.000 2.855 176 R HA 0.246 nan 4.340 nan 0.000 0.266 176 R C -0.452 175.838 176.300 -0.017 0.000 1.034 176 R CA -1.893 54.198 56.100 -0.014 0.000 0.944 176 R CB 2.010 32.303 30.300 -0.011 0.000 1.219 176 R HN -0.128 8.134 8.270 -0.013 0.000 0.474 177 G N 0.407 109.197 108.800 -0.017 0.000 3.003 177 G HA2 -0.041 nan 3.960 nan 0.000 0.266 177 G HA3 -0.041 nan 3.960 nan 0.000 0.266 177 G C -0.563 174.325 174.900 -0.021 0.000 0.755 177 G CA -0.130 44.957 45.100 -0.021 0.000 2.061 177 G HN 0.332 8.613 8.290 -0.015 0.000 0.599 178 G N 0.692 109.480 108.800 -0.020 0.000 2.389 178 G HA2 0.268 nan 3.960 nan 0.000 0.328 178 G HA3 0.268 nan 3.960 nan 0.000 0.328 178 G C -0.233 174.653 174.900 -0.022 0.000 1.133 178 G CA -1.463 43.627 45.100 -0.017 0.000 0.891 178 G HN -0.354 7.870 8.290 -0.019 0.055 0.485 179 R N 2.086 122.572 120.500 -0.022 0.000 2.200 179 R HA -0.303 nan 4.340 nan 0.000 0.234 179 R C 2.059 178.351 176.300 -0.014 0.000 1.127 179 R CA 1.906 57.989 56.100 -0.030 0.000 0.989 179 R CB -0.215 30.069 30.300 -0.027 0.000 0.869 179 R HN 0.494 8.753 8.270 -0.018 0.000 0.459 180 G N -2.909 105.891 108.800 -0.000 0.000 2.421 180 G HA2 -0.187 nan 3.960 nan 0.000 0.216 180 G HA3 -0.187 nan 3.960 nan 0.000 0.216 180 G C -0.008 174.909 174.900 0.028 0.000 1.171 180 G CA 1.255 46.367 45.100 0.020 0.000 0.775 180 G HN -0.020 8.226 8.290 -0.004 0.042 0.543 181 L N -1.868 119.359 121.223 0.007 0.000 2.589 181 L HA 0.445 nan 4.340 nan 0.000 0.244 181 L C -1.918 174.943 176.870 -0.015 0.000 1.159 181 L CA -1.475 53.368 54.840 0.005 0.000 1.074 181 L CB -1.319 40.737 42.059 -0.005 0.000 1.391 181 L HN -0.570 7.572 8.230 -0.003 0.086 0.423 182 L N 2.564 123.777 121.223 -0.017 0.000 2.342 182 L HA 0.845 nan 4.340 nan 0.000 0.271 182 L C -1.591 175.242 176.870 -0.062 0.000 1.008 182 L CA -1.393 53.397 54.840 -0.084 0.000 0.818 182 L CB 3.697 45.671 42.059 -0.142 0.000 1.296 182 L HN -0.562 7.630 8.230 0.019 0.050 0.427 183 A N 4.667 127.409 122.820 -0.129 0.000 2.574 183 A HA 0.583 nan 4.320 nan 0.000 0.297 183 A C -2.562 174.958 177.584 -0.107 0.000 1.062 183 A CA -0.069 51.940 52.037 -0.046 0.000 0.686 183 A CB 3.427 22.441 19.000 0.023 0.000 1.285 183 A HN 0.904 8.942 8.150 -0.186 0.000 0.403 184 Y N -1.091 119.217 120.300 0.014 0.000 2.534 184 Y HA 0.625 nan 4.550 nan 0.000 0.329 184 Y C -0.993 174.905 175.900 -0.005 0.000 1.154 184 Y CA -1.695 56.411 58.100 0.011 0.000 1.192 184 Y CB 3.503 41.962 38.460 -0.000 0.000 1.275 184 Y HN -0.083 8.345 8.280 0.247 0.000 0.491 185 L N 0.385 121.730 121.223 0.203 0.000 2.276 185 L HA 0.376 nan 4.340 nan 0.000 0.286 185 L C -0.832 176.129 176.870 0.150 0.000 1.061 185 L CA -1.163 53.726 54.840 0.082 0.000 0.807 185 L CB 0.206 42.207 42.059 -0.097 0.000 1.177 185 L HN -0.271 8.138 8.230 0.299 0.000 0.429 186 R N 2.933 123.493 120.500 0.100 0.000 2.485 186 R HA -0.138 nan 4.340 nan 0.000 0.304 186 R C -0.429 175.852 176.300 -0.032 0.000 0.934 186 R CA -0.207 55.887 56.100 -0.010 0.000 1.102 186 R CB -0.681 29.599 30.300 -0.034 0.000 0.906 186 R HN 0.019 8.346 8.270 0.096 0.000 0.407 187 P HA -0.051 nan 4.420 nan 0.000 0.233 187 P C -1.723 175.476 177.300 -0.168 0.000 1.167 187 P CA 1.193 64.141 63.100 -0.253 0.000 0.770 187 P CB -0.057 31.180 31.700 -0.771 0.000 0.837 188 E N -6.402 113.681 120.200 -0.195 0.000 2.388 188 E HA 0.209 nan 4.350 nan 0.000 0.280 188 E C -0.603 175.924 176.600 -0.121 0.000 1.019 188 E CA -0.859 55.472 56.400 -0.114 0.000 0.806 188 E CB 2.275 31.973 29.700 -0.002 0.000 1.246 188 E HN -0.896 7.255 8.360 -0.235 0.068 0.443 189 T N -3.703 110.788 114.554 -0.106 0.000 2.904 189 T HA -0.059 nan 4.350 nan 0.000 0.267 189 T C 1.289 175.937 174.700 -0.086 0.000 1.059 189 T CA 2.799 64.841 62.100 -0.097 0.000 1.137 189 T CB -0.059 68.749 68.868 -0.101 0.000 0.879 189 T HN 0.305 8.869 8.240 -0.110 -0.389 0.467 190 A N 1.462 124.256 122.820 -0.043 0.000 1.923 190 A HA -0.436 nan 4.320 nan 0.000 0.222 190 A C 2.428 179.945 177.584 -0.112 0.000 1.258 190 A CA 3.111 55.132 52.037 -0.028 0.000 0.670 190 A CB -1.228 17.922 19.000 0.250 0.000 0.834 190 A HN -0.565 7.910 8.150 -0.013 -0.334 0.470 191 Q N -1.493 118.353 119.800 0.077 0.000 2.062 191 Q HA -0.363 nan 4.340 nan 0.000 0.209 191 Q C 2.617 178.585 176.000 -0.053 0.000 0.996 191 Q CA 2.383 58.273 55.803 0.145 0.000 0.859 191 Q CB -0.706 28.057 28.738 0.041 0.000 0.920 191 Q HN 0.027 8.317 8.270 0.033 0.000 0.415 192 G N -2.265 106.474 108.800 -0.102 0.000 2.532 192 G HA2 -0.271 nan 3.960 nan 0.000 0.222 192 G HA3 -0.271 nan 3.960 nan 0.000 0.222 192 G C 1.423 176.232 174.900 -0.153 0.000 1.102 192 G CA 1.958 46.995 45.100 -0.105 0.000 0.742 192 G HN -0.323 7.915 8.290 -0.086 0.000 0.577 193 I N 0.645 121.031 120.570 -0.307 0.000 2.339 193 I HA -0.313 nan 4.170 nan 0.000 0.245 193 I C 1.191 177.140 176.117 -0.280 0.000 1.096 193 I CA 2.706 63.804 61.300 -0.336 0.000 1.408 193 I CB -0.041 37.677 38.000 -0.471 0.000 1.092 193 I HN -0.379 7.450 8.210 -0.387 0.150 0.423 194 F N -2.512 117.500 119.950 0.103 0.000 2.069 194 F HA -0.356 nan 4.527 nan 0.000 0.298 194 F C 2.749 178.533 175.800 -0.027 0.000 1.113 194 F CA 3.301 61.357 58.000 0.093 0.000 1.214 194 F CB -1.404 37.613 39.000 0.028 0.000 0.978 194 F HN -0.903 6.650 8.300 -1.245 0.000 0.474 195 V N -1.265 118.632 119.914 -0.030 0.000 2.594 195 V HA -0.314 nan 4.120 nan 0.000 0.253 195 V C 0.274 176.359 176.094 -0.015 0.000 1.069 195 V CA 3.337 65.562 62.300 -0.125 0.000 1.082 195 V CB -0.658 31.027 31.823 -0.230 0.000 0.680 195 V HN -0.303 7.850 8.190 -0.060 0.000 0.469 196 N N -2.196 116.507 118.700 0.005 0.000 2.280 196 N HA 0.124 nan 4.740 nan 0.000 0.192 196 N C 0.881 176.428 175.510 0.063 0.000 1.109 196 N CA 0.992 54.055 53.050 0.022 0.000 0.855 196 N CB 0.317 38.800 38.487 -0.006 0.000 0.974 196 N HN -0.779 7.454 8.380 -0.020 0.136 0.482 197 F N 2.918 122.834 119.950 -0.057 0.000 2.032 197 F HA -0.550 nan 4.527 nan 0.000 0.297 197 F C 0.864 176.633 175.800 -0.052 0.000 1.125 197 F CA 4.962 62.901 58.000 -0.101 0.000 1.202 197 F CB -0.054 38.809 39.000 -0.227 0.000 0.958 197 F HN -0.019 8.196 8.300 0.194 0.201 0.491 198 K N -1.794 118.826 120.400 0.367 0.000 2.026 198 K HA -0.439 nan 4.320 nan 0.000 0.208 198 K C 1.990 178.655 176.600 0.107 0.000 1.048 198 K CA 3.256 59.693 56.287 0.249 0.000 0.929 198 K CB -0.829 31.759 32.500 0.146 0.000 0.713 198 K HN 0.402 8.841 8.250 0.314 0.000 0.439 199 N N -0.373 118.368 118.700 0.069 0.000 2.069 199 N HA -0.367 nan 4.740 nan 0.000 0.191 199 N C 2.181 177.697 175.510 0.011 0.000 1.031 199 N CA 3.233 56.303 53.050 0.033 0.000 0.852 199 N CB -0.063 38.439 38.487 0.024 0.000 1.018 199 N HN -0.207 8.221 8.380 0.080 0.000 0.423 200 V N 1.224 121.133 119.914 -0.009 0.000 2.295 200 V HA -0.304 nan 4.120 nan 0.000 0.246 200 V C 1.966 178.024 176.094 -0.060 0.000 1.049 200 V CA 4.245 66.526 62.300 -0.031 0.000 1.024 200 V CB -0.684 31.119 31.823 -0.034 0.000 0.648 200 V HN 0.243 8.430 8.190 -0.006 0.000 0.447 201 L N -1.125 120.050 121.223 -0.079 0.000 2.043 201 L HA -0.468 nan 4.340 nan 0.000 0.212 201 L C 1.908 178.760 176.870 -0.029 0.000 1.075 201 L CA 3.248 58.043 54.840 -0.075 0.000 0.752 201 L CB -0.788 41.297 42.059 0.043 0.000 0.891 201 L HN 0.031 8.206 8.230 -0.093 0.000 0.432 202 D N 0.220 120.626 120.400 0.011 0.000 2.078 202 D HA -0.277 nan 4.640 nan 0.000 0.193 202 D C 2.012 178.306 176.300 -0.011 0.000 0.990 202 D CA 3.149 57.157 54.000 0.014 0.000 0.827 202 D CB -0.443 40.374 40.800 0.028 0.000 0.975 202 D HN 0.202 8.474 8.370 0.026 0.114 0.451 203 A N -2.171 120.640 122.820 -0.016 0.000 2.121 203 A HA -0.151 nan 4.320 nan 0.000 0.218 203 A C 1.417 178.978 177.584 -0.038 0.000 1.154 203 A CA 2.066 54.091 52.037 -0.020 0.000 0.679 203 A CB 0.118 19.111 19.000 -0.012 0.000 0.795 203 A HN -0.304 7.840 8.150 -0.010 0.000 0.458 204 T N -6.168 108.346 114.554 -0.066 0.000 3.071 204 T HA 0.028 nan 4.350 nan 0.000 0.239 204 T C 0.832 175.462 174.700 -0.116 0.000 0.997 204 T CA -0.532 61.508 62.100 -0.100 0.000 1.134 204 T CB 1.018 69.792 68.868 -0.155 0.000 0.928 204 T HN -0.129 8.026 8.240 -0.070 0.042 0.453 205 S N 1.093 116.717 115.700 -0.126 0.000 3.929 205 S HA -0.466 nan 4.470 nan 0.000 0.351 205 S C -0.500 174.006 174.600 -0.157 0.000 1.021 205 S CA 0.539 58.681 58.200 -0.098 0.000 1.049 205 S CB -1.233 61.937 63.200 -0.050 0.000 0.872 205 S HN 0.012 8.133 8.310 -0.129 0.112 0.479 206 R N 0.108 120.405 120.500 -0.338 0.000 2.539 206 R HA 0.018 nan 4.340 nan 0.000 0.275 206 R C 0.010 176.116 176.300 -0.323 0.000 1.077 206 R CA 0.269 56.046 56.100 -0.538 0.000 1.097 206 R CB 0.970 30.443 30.300 -1.378 0.000 1.018 206 R HN -0.813 7.225 8.270 -0.387 0.000 0.483 207 K N 1.220 121.511 120.400 -0.182 0.000 2.098 207 K HA 0.013 nan 4.320 nan 0.000 0.244 207 K C -0.037 176.520 176.600 -0.071 0.000 1.014 207 K CA -0.874 55.431 56.287 0.031 0.000 0.917 207 K CB 0.602 33.155 32.500 0.088 0.000 1.072 207 K HN 0.055 8.181 8.250 -0.206 0.000 0.477 208 L N 0.363 121.502 121.223 -0.140 0.000 1.944 208 L HA -0.252 nan 4.340 nan 0.000 0.218 208 L C 0.630 177.488 176.870 -0.019 0.000 1.075 208 L CA 2.561 57.291 54.840 -0.182 0.000 0.767 208 L CB 0.256 42.148 42.059 -0.278 0.000 0.890 208 L HN -0.144 8.114 8.230 0.047 0.000 0.434 209 G N -5.020 103.764 108.800 -0.026 0.000 2.326 209 G HA2 -0.239 nan 3.960 nan 0.000 0.286 209 G HA3 -0.239 nan 3.960 nan 0.000 0.286 209 G C -1.189 173.594 174.900 -0.195 0.000 0.927 209 G CA 0.306 45.286 45.100 -0.199 0.000 1.553 209 G HN -0.283 8.037 8.290 0.049 0.000 0.415 210 F N 4.163 123.697 119.950 -0.694 0.000 2.725 210 F HA 0.350 nan 4.527 nan 0.000 0.309 210 F C -2.774 172.733 175.800 -0.489 0.000 1.132 210 F CA -0.880 56.858 58.000 -0.438 0.000 0.957 210 F CB 2.426 41.300 39.000 -0.210 0.000 1.286 210 F HN -0.419 7.384 8.300 -0.829 0.000 0.440 211 G N -0.276 108.374 108.800 -0.250 0.000 2.659 211 G HA2 0.619 nan 3.960 nan 0.000 0.296 211 G HA3 0.619 nan 3.960 nan 0.000 0.296 211 G C -2.811 171.983 174.900 -0.178 0.000 1.369 211 G CA -1.018 43.812 45.100 -0.449 0.000 0.937 211 G HN 0.628 9.032 8.290 0.189 0.000 0.485 212 I N 1.114 121.510 120.570 -0.290 0.000 2.392 212 I HA 0.681 nan 4.170 nan 0.000 0.295 212 I C -2.149 173.838 176.117 -0.216 0.000 0.985 212 I CA -1.223 60.003 61.300 -0.124 0.000 1.221 212 I CB 2.348 40.329 38.000 -0.031 0.000 1.366 212 I HN -0.384 7.477 8.210 -0.580 0.000 0.467 213 A N 5.523 128.229 122.820 -0.190 0.000 2.449 213 A HA 0.960 nan 4.320 nan 0.000 0.302 213 A C -2.712 174.833 177.584 -0.065 0.000 1.048 213 A CA -1.232 50.700 52.037 -0.175 0.000 0.708 213 A CB 3.315 22.135 19.000 -0.300 0.000 1.274 213 A HN 0.866 8.917 8.150 -0.165 0.000 0.410 214 Q N -0.589 119.273 119.800 0.103 0.000 2.462 214 Q HA 0.764 nan 4.340 nan 0.000 0.285 214 Q C -2.080 174.030 176.000 0.184 0.000 1.035 214 Q CA -1.390 54.581 55.803 0.280 0.000 0.799 214 Q CB 4.090 32.926 28.738 0.164 0.000 1.452 214 Q HN 0.378 8.694 8.270 0.076 0.000 0.404 215 I N -0.228 120.478 120.570 0.226 0.000 2.562 215 I HA 0.708 nan 4.170 nan 0.000 0.301 215 I C -0.618 175.465 176.117 -0.056 0.000 1.003 215 I CA -1.629 59.648 61.300 -0.039 0.000 1.127 215 I CB 2.435 40.415 38.000 -0.033 0.000 1.304 215 I HN 0.559 9.008 8.210 0.398 0.000 0.446 216 G N 2.567 111.287 108.800 -0.132 0.000 2.466 216 G HA2 0.200 nan 3.960 nan 0.000 0.291 216 G HA3 0.200 nan 3.960 nan 0.000 0.291 216 G C -2.995 171.777 174.900 -0.214 0.000 1.460 216 G CA -0.076 44.946 45.100 -0.131 0.000 0.791 216 G HN 0.330 8.512 8.290 -0.180 0.000 0.505 217 K N -0.487 119.790 120.400 -0.204 0.000 2.202 217 K HA 0.565 nan 4.320 nan 0.000 0.264 217 K C -1.309 175.020 176.600 -0.451 0.000 1.010 217 K CA -0.597 55.470 56.287 -0.366 0.000 0.940 217 K CB 1.375 33.718 32.500 -0.262 0.000 0.983 217 K HN 0.278 8.456 8.250 -0.121 0.000 0.475 218 A N 1.549 123.874 122.820 -0.826 0.000 2.488 218 A HA 0.744 nan 4.320 nan 0.000 0.295 218 A C -2.436 174.703 177.584 -0.741 0.000 1.045 218 A CA -0.439 51.187 52.037 -0.685 0.000 0.703 218 A CB 3.058 21.478 19.000 -0.967 0.000 1.271 218 A HN 0.833 8.345 8.150 -1.064 0.000 0.400 219 F N 1.617 121.554 119.950 -0.022 0.000 2.508 219 F HA 0.700 nan 4.527 nan 0.000 0.325 219 F C -0.587 175.448 175.800 0.391 0.000 1.090 219 F CA -1.400 56.790 58.000 0.316 0.000 0.945 219 F CB 3.560 42.789 39.000 0.382 0.000 1.156 219 F HN 0.171 8.666 8.300 0.325 0.000 0.463 220 R N 0.798 121.682 120.500 0.639 0.000 2.510 220 R HA 0.121 nan 4.340 nan 0.000 0.287 220 R C -0.203 176.096 176.300 -0.001 0.000 1.084 220 R CA -0.733 55.525 56.100 0.265 0.000 0.934 220 R CB 2.811 33.349 30.300 0.397 0.000 1.201 220 R HN 0.655 9.303 8.270 0.821 0.115 0.431 221 N N 4.797 123.165 118.700 -0.553 0.000 2.530 221 N HA -0.167 nan 4.740 nan 0.000 0.216 221 N C -0.765 174.796 175.510 0.086 0.000 1.315 221 N CA -0.576 52.189 53.050 -0.475 0.000 0.858 221 N CB -0.788 37.390 38.487 -0.514 0.000 1.138 221 N HN 0.638 8.555 8.380 -0.609 0.097 0.473 222 E N -0.600 119.677 120.200 0.128 0.000 3.434 222 E HA -0.301 nan 4.350 nan 0.000 0.248 222 E C 0.704 177.392 176.600 0.146 0.000 0.895 222 E CA 1.089 57.579 56.400 0.150 0.000 0.953 222 E CB -0.395 29.369 29.700 0.107 0.000 0.893 222 E HN -0.443 7.842 8.360 0.121 0.147 0.570 223 I N 2.300 122.966 120.570 0.160 0.000 2.113 223 I HA -0.333 nan 4.170 nan 0.000 0.242 223 I C -0.158 175.974 176.117 0.025 0.000 1.064 223 I CA 2.223 63.556 61.300 0.054 0.000 1.320 223 I CB -0.327 37.692 38.000 0.033 0.000 1.028 223 I HN 0.262 8.603 8.210 0.218 0.000 0.406 224 T N -6.064 108.524 114.554 0.056 0.000 2.892 224 T HA 0.439 nan 4.350 nan 0.000 0.311 224 T C -2.935 171.809 174.700 0.074 0.000 1.033 224 T CA -3.774 58.360 62.100 0.057 0.000 0.991 224 T CB 1.298 70.210 68.868 0.073 0.000 0.981 224 T HN -0.247 8.037 8.240 0.073 0.000 0.457 225 P HA 0.138 nan 4.420 nan 0.000 0.276 225 P C -1.352 175.995 177.300 0.079 0.000 1.243 225 P CA -0.279 62.870 63.100 0.081 0.000 0.768 225 P CB 0.717 32.484 31.700 0.113 0.000 0.856 226 R N 3.818 124.362 120.500 0.073 0.000 1.986 226 R HA -0.102 nan 4.340 nan 0.000 0.208 226 R C -0.163 176.146 176.300 0.014 0.000 1.376 226 R CA 0.589 56.726 56.100 0.063 0.000 1.075 226 R CB 0.837 31.192 30.300 0.090 0.000 0.925 226 R HN 0.081 8.390 8.270 0.066 0.000 0.475 227 N N -2.157 116.530 118.700 -0.022 0.000 2.431 227 N HA 0.034 nan 4.740 nan 0.000 0.289 227 N C 0.057 175.548 175.510 -0.031 0.000 1.277 227 N CA -0.625 52.336 53.050 -0.148 0.000 0.972 227 N CB 0.942 39.061 38.487 -0.613 0.000 1.143 227 N HN -0.471 7.965 8.380 0.093 0.000 0.578 228 F N 0.704 120.503 119.950 -0.252 0.000 2.011 228 F HA -0.186 nan 4.527 nan 0.000 0.306 228 F C 0.437 175.951 175.800 -0.477 0.000 1.482 228 F CA 1.411 59.245 58.000 -0.276 0.000 1.202 228 F CB 0.025 38.885 39.000 -0.234 0.000 0.903 228 F HN -0.037 8.253 8.300 -0.018 0.000 0.545 229 I N -1.467 118.498 120.570 -1.008 0.000 3.456 229 I HA -0.188 nan 4.170 nan 0.000 0.291 229 I C 0.408 176.238 176.117 -0.479 0.000 1.307 229 I CA -0.235 60.512 61.300 -0.922 0.000 1.333 229 I CB -0.596 36.798 38.000 -1.010 0.000 1.032 229 I HN -0.030 7.298 8.210 -1.471 0.000 0.506 230 F N 0.542 120.204 119.950 -0.480 0.000 1.990 230 F HA -0.222 nan 4.527 nan 0.000 0.294 230 F C 0.239 175.854 175.800 -0.308 0.000 1.177 230 F CA 2.688 60.444 58.000 -0.406 0.000 1.167 230 F CB 0.425 39.144 39.000 -0.468 0.000 0.971 230 F HN -0.628 7.417 8.300 -0.215 0.126 0.483 231 R N -0.761 119.591 120.500 -0.246 0.000 2.278 231 R HA 0.209 nan 4.340 nan 0.000 0.322 231 R C -1.880 174.315 176.300 -0.175 0.000 1.058 231 R CA -1.064 54.873 56.100 -0.272 0.000 0.991 231 R CB -0.109 30.177 30.300 -0.023 0.000 1.140 231 R HN -0.001 8.269 8.270 0.001 0.000 0.518 232 V N -1.297 118.462 119.914 -0.258 0.000 3.126 232 V HA 0.566 nan 4.120 nan 0.000 0.314 232 V C -0.564 175.557 176.094 0.044 0.000 1.138 232 V CA -2.704 59.556 62.300 -0.065 0.000 1.034 232 V CB 2.707 34.516 31.823 -0.023 0.000 1.075 232 V HN -0.009 7.905 8.190 -0.460 0.000 0.442 233 R N -1.908 118.730 120.500 0.229 0.000 2.193 233 R HA 0.019 nan 4.340 nan 0.000 0.213 233 R C 0.121 176.748 176.300 0.546 0.000 1.055 233 R CA 2.068 58.424 56.100 0.426 0.000 0.995 233 R CB 0.962 31.568 30.300 0.510 0.000 0.893 233 R HN 0.480 8.779 8.270 0.225 0.106 0.459 234 E N -1.724 118.710 120.200 0.390 0.000 2.260 234 E HA 0.540 nan 4.350 nan 0.000 0.266 234 E C -1.889 174.847 176.600 0.227 0.000 0.887 234 E CA -0.719 55.783 56.400 0.171 0.000 0.777 234 E CB 3.166 32.916 29.700 0.083 0.000 1.205 234 E HN -0.865 7.685 8.360 0.316 0.000 0.414 235 F N 2.343 122.140 119.950 -0.255 0.000 2.831 235 F HA 0.798 nan 4.527 nan 0.000 0.318 235 F C -2.774 172.900 175.800 -0.211 0.000 1.174 235 F CA -1.940 55.960 58.000 -0.167 0.000 0.918 235 F CB 1.695 40.628 39.000 -0.112 0.000 1.364 235 F HN 0.685 8.716 8.300 -0.449 0.000 0.475 236 E N -2.300 117.794 120.200 -0.177 0.000 2.288 236 E HA 0.629 nan 4.350 nan 0.000 0.268 236 E C -1.406 175.099 176.600 -0.159 0.000 0.885 236 E CA -1.534 54.706 56.400 -0.267 0.000 0.767 236 E CB 3.669 33.262 29.700 -0.178 0.000 1.220 236 E HN 0.046 8.749 8.360 0.080 -0.295 0.427 237 Q N 0.544 120.212 119.800 -0.219 0.000 2.413 237 Q HA 0.761 nan 4.340 nan 0.000 0.276 237 Q C -1.066 174.770 176.000 -0.274 0.000 1.099 237 Q CA -1.706 54.005 55.803 -0.154 0.000 0.814 237 Q CB 4.529 33.205 28.738 -0.104 0.000 1.379 237 Q HN 0.880 8.888 8.270 -0.270 0.100 0.436 238 M N 1.972 121.323 119.600 -0.415 0.000 2.036 238 M HA 0.385 nan 4.480 nan 0.000 0.337 238 M C -1.304 174.707 176.300 -0.482 0.000 1.012 238 M CA -0.185 54.566 55.300 -0.915 0.000 0.962 238 M CB 0.840 32.272 32.600 -1.947 0.000 1.423 238 M HN 0.786 8.899 8.290 -0.295 0.000 0.405 239 E N 3.525 123.621 120.200 -0.172 0.000 2.221 239 E HA 0.781 nan 4.350 nan 0.000 0.268 239 E C -1.693 174.968 176.600 0.102 0.000 0.933 239 E CA -1.665 54.748 56.400 0.021 0.000 0.809 239 E CB 3.963 33.647 29.700 -0.026 0.000 1.190 239 E HN 0.818 9.072 8.360 -0.178 0.000 0.406 240 I N -0.463 120.079 120.570 -0.046 0.000 2.730 240 I HA 0.324 nan 4.170 nan 0.000 0.298 240 I C -0.939 174.965 176.117 -0.356 0.000 1.089 240 I CA -1.415 59.729 61.300 -0.259 0.000 1.041 240 I CB 3.235 40.932 38.000 -0.506 0.000 1.235 240 I HN -0.240 7.937 8.210 -0.055 0.000 0.423 241 E N 3.573 123.483 120.200 -0.484 0.000 2.675 241 E HA 0.280 nan 4.350 nan 0.000 0.236 241 E C -1.631 174.379 176.600 -0.983 0.000 1.059 241 E CA -2.020 54.010 56.400 -0.618 0.000 0.775 241 E CB 0.393 29.709 29.700 -0.641 0.000 1.356 241 E HN 0.274 8.340 8.360 -0.490 0.000 0.403 242 Y N 5.446 125.231 120.300 -0.859 0.000 2.584 242 Y HA -0.073 nan 4.550 nan 0.000 0.351 242 Y C -1.582 173.911 175.900 -0.678 0.000 1.030 242 Y CA -0.433 57.207 58.100 -0.765 0.000 1.332 242 Y CB 0.001 38.114 38.460 -0.577 0.000 1.148 242 Y HN 0.492 8.470 8.280 -0.504 0.000 0.528 243 F N 7.625 127.181 119.950 -0.658 0.000 2.443 243 F HA 0.418 nan 4.527 nan 0.000 0.353 243 F C -1.257 174.220 175.800 -0.538 0.000 1.101 243 F CA -0.199 57.503 58.000 -0.497 0.000 1.226 243 F CB 0.066 38.713 39.000 -0.589 0.000 1.140 243 F HN 0.118 7.642 8.300 -1.293 0.000 0.557 244 V N 1.539 121.448 119.914 -0.007 0.000 3.178 244 V HA 0.371 nan 4.120 nan 0.000 0.302 244 V C -1.741 174.493 176.094 0.235 0.000 1.262 244 V CA -1.663 60.630 62.300 -0.011 0.000 1.030 244 V CB 5.217 36.988 31.823 -0.086 0.000 1.074 244 V HN 0.857 9.160 8.190 0.189 0.000 0.438 245 R N 4.303 124.968 120.500 0.275 0.000 2.449 245 R HA 0.106 nan 4.340 nan 0.000 0.296 245 R C -0.962 175.454 176.300 0.193 0.000 1.047 245 R CA -0.705 55.608 56.100 0.355 0.000 1.018 245 R CB -0.618 29.830 30.300 0.247 0.000 0.962 245 R HN 0.438 8.837 8.270 0.215 0.000 0.428 246 P HA -0.273 nan 4.420 nan 0.000 0.226 246 P C 1.298 178.413 177.300 -0.308 0.000 1.154 246 P CA 2.959 65.879 63.100 -0.300 0.000 0.918 246 P CB 0.023 31.619 31.700 -0.174 0.000 0.790 247 G N -4.480 104.255 108.800 -0.109 0.000 2.408 247 G HA2 -0.152 nan 3.960 nan 0.000 0.217 247 G HA3 -0.152 nan 3.960 nan 0.000 0.217 247 G C 1.289 176.218 174.900 0.048 0.000 1.150 247 G CA 1.340 46.411 45.100 -0.049 0.000 0.776 247 G HN 0.146 8.393 8.290 -0.072 0.000 0.542 248 E N 0.629 120.918 120.200 0.148 0.000 2.478 248 E HA -0.228 nan 4.350 nan 0.000 0.198 248 E C 1.210 178.041 176.600 0.385 0.000 1.046 248 E CA 0.899 57.458 56.400 0.264 0.000 0.870 248 E CB -0.448 29.503 29.700 0.417 0.000 0.818 248 E HN -0.471 7.980 8.360 0.151 0.000 0.527 249 D N -0.779 119.825 120.400 0.341 0.000 2.172 249 D HA -0.420 nan 4.640 nan 0.000 0.196 249 D C 1.710 178.249 176.300 0.398 0.000 0.999 249 D CA 3.113 57.372 54.000 0.431 0.000 0.856 249 D CB -0.554 40.508 40.800 0.437 0.000 0.934 249 D HN -0.548 7.882 8.370 0.198 0.059 0.453 250 E N -0.263 120.106 120.200 0.282 0.000 2.031 250 E HA -0.384 nan 4.350 nan 0.000 0.193 250 E C 1.907 178.633 176.600 0.210 0.000 0.994 250 E CA 3.040 59.580 56.400 0.233 0.000 0.800 250 E CB -0.093 29.701 29.700 0.158 0.000 0.752 250 E HN -0.351 8.123 8.360 0.230 0.024 0.447 251 Y N 0.244 120.571 120.300 0.044 0.000 2.097 251 Y HA -0.420 nan 4.550 nan 0.000 0.282 251 Y C 1.579 177.451 175.900 -0.048 0.000 1.152 251 Y CA 2.970 61.005 58.100 -0.108 0.000 1.136 251 Y CB -0.298 37.954 38.460 -0.347 0.000 0.975 251 Y HN -0.778 7.649 8.280 0.245 0.000 0.498 252 W N -3.193 118.143 121.300 0.059 0.000 2.321 252 W HA -0.571 nan 4.660 nan 0.000 0.306 252 W C 2.146 178.839 176.519 0.291 0.000 1.217 252 W CA 4.238 61.673 57.345 0.151 0.000 1.257 252 W CB -0.267 29.439 29.460 0.412 0.000 1.145 252 W HN -0.433 7.761 8.180 0.023 0.000 0.509 253 H N -1.522 117.773 119.070 0.376 0.000 2.352 253 H HA -0.496 nan 4.556 nan 0.000 0.299 253 H C 2.105 177.544 175.328 0.185 0.000 1.097 253 H CA 3.265 59.491 56.048 0.297 0.000 1.311 253 H CB 0.418 30.306 29.762 0.211 0.000 1.377 253 H HN -0.029 8.562 8.280 0.523 0.003 0.504 254 R N -1.269 119.334 120.500 0.172 0.000 2.062 254 R HA -0.402 nan 4.340 nan 0.000 0.231 254 R C 1.801 178.080 176.300 -0.035 0.000 1.136 254 R CA 3.179 59.283 56.100 0.007 0.000 0.948 254 R CB -0.410 29.848 30.300 -0.070 0.000 0.845 254 R HN -0.653 7.588 8.270 0.118 0.100 0.430 255 Y N 0.324 120.394 120.300 -0.384 0.000 2.002 255 Y HA -0.524 nan 4.550 nan 0.000 0.268 255 Y C 1.837 177.592 175.900 -0.242 0.000 1.177 255 Y CA 3.570 61.401 58.100 -0.450 0.000 1.111 255 Y CB -0.405 37.613 38.460 -0.737 0.000 0.952 255 Y HN -0.034 8.002 8.280 -0.407 0.000 0.491 256 W N -4.373 116.919 121.300 -0.013 0.000 2.342 256 W HA -0.458 nan 4.660 nan 0.000 0.297 256 W C 2.394 178.883 176.519 -0.051 0.000 1.213 256 W CA 4.287 61.578 57.345 -0.090 0.000 1.251 256 W CB -0.231 29.268 29.460 0.065 0.000 1.136 256 W HN 0.011 8.444 8.180 0.422 0.000 0.526 257 V N -0.818 119.250 119.914 0.256 0.000 2.307 257 V HA -0.581 nan 4.120 nan 0.000 0.245 257 V C 2.065 178.220 176.094 0.101 0.000 1.045 257 V CA 4.552 66.975 62.300 0.206 0.000 1.024 257 V CB -0.763 31.164 31.823 0.174 0.000 0.651 257 V HN -0.281 8.000 8.190 0.288 0.082 0.449 258 E N -1.363 118.830 120.200 -0.012 0.000 2.110 258 E HA -0.404 nan 4.350 nan 0.000 0.193 258 E C 2.502 179.043 176.600 -0.099 0.000 0.988 258 E CA 3.542 59.908 56.400 -0.057 0.000 0.804 258 E CB -0.234 29.398 29.700 -0.113 0.000 0.745 258 E HN -0.080 8.260 8.360 -0.034 0.000 0.458 259 E N -0.202 119.844 120.200 -0.257 0.000 2.006 259 E HA -0.262 nan 4.350 nan 0.000 0.192 259 E C 2.588 179.179 176.600 -0.015 0.000 0.993 259 E CA 2.832 59.056 56.400 -0.294 0.000 0.808 259 E CB -0.234 29.052 29.700 -0.690 0.000 0.764 259 E HN -0.082 7.969 8.360 -0.360 0.093 0.449 260 R N -1.320 119.249 120.500 0.115 0.000 2.170 260 R HA -0.272 nan 4.340 nan 0.000 0.242 260 R C 2.821 179.374 176.300 0.421 0.000 1.145 260 R CA 1.855 58.130 56.100 0.291 0.000 0.984 260 R CB -0.745 29.792 30.300 0.395 0.000 0.869 260 R HN -0.116 8.221 8.270 0.111 0.000 0.455 261 L N -0.382 121.021 121.223 0.300 0.000 2.131 261 L HA -0.231 nan 4.340 nan 0.000 0.206 261 L C 1.493 178.516 176.870 0.255 0.000 1.087 261 L CA 2.515 57.541 54.840 0.310 0.000 0.767 261 L CB -0.243 41.928 42.059 0.188 0.000 0.917 261 L HN -0.039 8.203 8.230 0.200 0.109 0.441 262 K N -1.111 119.385 120.400 0.159 0.000 2.063 262 K HA -0.424 nan 4.320 nan 0.000 0.208 262 K C 2.151 178.850 176.600 0.165 0.000 1.048 262 K CA 3.494 59.852 56.287 0.118 0.000 0.928 262 K CB -0.332 32.196 32.500 0.046 0.000 0.713 262 K HN -0.291 7.837 8.250 0.113 0.190 0.442 263 W N 0.496 121.783 121.300 -0.021 0.000 2.353 263 W HA -0.375 nan 4.660 nan 0.000 0.319 263 W C 1.367 177.847 176.519 -0.065 0.000 1.207 263 W CA 4.070 61.357 57.345 -0.098 0.000 1.291 263 W CB -0.083 29.231 29.460 -0.244 0.000 1.159 263 W HN -0.055 8.288 8.180 0.285 0.009 0.478 264 W N -4.100 117.328 121.300 0.213 0.000 2.389 264 W HA -0.540 nan 4.660 nan 0.000 0.267 264 W C 1.887 178.351 176.519 -0.093 0.000 1.219 264 W CA 3.151 60.493 57.345 -0.004 0.000 1.189 264 W CB -0.385 29.156 29.460 0.134 0.000 1.129 264 W HN -0.311 8.075 8.180 0.344 0.000 0.581 265 Q N -1.740 118.145 119.800 0.142 0.000 2.036 265 Q HA -0.290 nan 4.340 nan 0.000 0.195 265 Q C 2.581 178.569 176.000 -0.020 0.000 0.971 265 Q CA 3.518 59.368 55.803 0.078 0.000 0.826 265 Q CB -0.257 28.530 28.738 0.082 0.000 0.896 265 Q HN -0.509 7.688 8.270 0.163 0.170 0.449 266 E N 0.997 121.154 120.200 -0.072 0.000 2.331 266 E HA -0.329 nan 4.350 nan 0.000 0.199 266 E C 2.358 178.839 176.600 -0.197 0.000 1.008 266 E CA 2.708 59.046 56.400 -0.102 0.000 0.843 266 E CB -0.329 29.341 29.700 -0.051 0.000 0.761 266 E HN -0.546 7.786 8.360 -0.047 0.000 0.507 267 M N -4.763 114.632 119.600 -0.342 0.000 2.595 267 M HA -0.136 nan 4.480 nan 0.000 0.248 267 M C 0.823 177.034 176.300 -0.148 0.000 1.119 267 M CA -0.708 54.372 55.300 -0.367 0.000 1.079 267 M CB -0.494 31.675 32.600 -0.719 0.000 1.472 267 M HN -0.232 7.689 8.290 -0.374 0.145 0.501 268 G N -3.255 105.499 108.800 -0.078 0.000 2.336 268 G HA2 -0.288 nan 3.960 nan 0.000 0.194 268 G HA3 -0.288 nan 3.960 nan 0.000 0.194 268 G C -0.919 174.002 174.900 0.035 0.000 0.999 268 G CA -0.465 44.622 45.100 -0.022 0.000 0.669 268 G HN -0.039 8.012 8.290 -0.079 0.192 0.482 269 L N 1.486 122.756 121.223 0.078 0.000 2.433 269 L HA -0.049 nan 4.340 nan 0.000 0.275 269 L C -0.748 176.199 176.870 0.127 0.000 1.128 269 L CA -0.007 54.917 54.840 0.140 0.000 0.875 269 L CB 0.050 42.216 42.059 0.179 0.000 1.171 269 L HN -0.575 7.706 8.230 0.084 0.000 0.463 270 S N 3.220 118.985 115.700 0.109 0.000 2.572 270 S HA -0.069 nan 4.470 nan 0.000 0.279 270 S C 0.900 175.533 174.600 0.055 0.000 1.341 270 S CA -0.693 57.544 58.200 0.061 0.000 1.043 270 S CB 1.295 64.516 63.200 0.036 0.000 0.887 270 S HN -0.603 8.121 8.310 0.130 -0.337 0.516 271 R N 3.559 124.081 120.500 0.038 0.000 2.120 271 R HA -0.260 nan 4.340 nan 0.000 0.234 271 R C 2.105 178.403 176.300 -0.004 0.000 1.123 271 R CA 2.703 58.821 56.100 0.030 0.000 0.975 271 R CB -0.776 29.540 30.300 0.026 0.000 0.866 271 R HN 0.813 9.103 8.270 0.033 0.000 0.446 272 E N -1.377 118.812 120.200 -0.019 0.000 2.209 272 E HA -0.242 nan 4.350 nan 0.000 0.196 272 E C 0.777 177.317 176.600 -0.099 0.000 0.993 272 E CA 2.579 58.950 56.400 -0.048 0.000 0.819 272 E CB -0.946 28.728 29.700 -0.043 0.000 0.745 272 E HN 0.561 8.891 8.360 -0.007 0.026 0.477 273 N N -3.353 115.270 118.700 -0.127 0.000 2.254 273 N HA 0.098 nan 4.740 nan 0.000 0.190 273 N C -1.440 173.886 175.510 -0.308 0.000 1.107 273 N CA 0.030 52.900 53.050 -0.299 0.000 0.869 273 N CB 1.145 39.353 38.487 -0.466 0.000 0.983 273 N HN -0.451 7.732 8.380 -0.069 0.155 0.487 274 L N 0.161 121.320 121.223 -0.107 0.000 2.292 274 L HA 0.346 nan 4.340 nan 0.000 0.284 274 L C -1.816 175.029 176.870 -0.041 0.000 1.065 274 L CA 0.148 54.965 54.840 -0.040 0.000 0.806 274 L CB 1.143 43.239 42.059 0.061 0.000 1.175 274 L HN -0.550 7.515 8.230 -0.058 0.130 0.431 275 V N 0.998 120.890 119.914 -0.036 0.000 2.532 275 V HA 0.376 nan 4.120 nan 0.000 0.294 275 V C -2.423 173.701 176.094 0.051 0.000 1.036 275 V CA -3.157 59.140 62.300 -0.005 0.000 0.876 275 V CB 2.935 34.737 31.823 -0.035 0.000 1.012 275 V HN 0.705 8.866 8.190 -0.048 0.000 0.432 276 P HA 0.583 nan 4.420 nan 0.000 0.277 276 P C -2.140 175.259 177.300 0.165 0.000 1.240 276 P CA -1.105 62.063 63.100 0.112 0.000 0.798 276 P CB 0.728 32.478 31.700 0.083 0.000 0.979 277 Y N 2.841 123.150 120.300 0.014 0.000 2.330 277 Y HA 0.182 nan 4.550 nan 0.000 0.324 277 Y C -2.411 173.494 175.900 0.009 0.000 1.093 277 Y CA -0.934 57.169 58.100 0.005 0.000 1.103 277 Y CB 3.246 41.708 38.460 0.004 0.000 1.183 277 Y HN 0.679 9.108 8.280 0.247 0.000 0.433 278 Q N 8.027 127.613 119.800 -0.358 0.000 2.286 278 Q HA -0.007 nan 4.340 nan 0.000 0.265 278 Q C -0.461 175.134 176.000 -0.674 0.000 1.080 278 Q CA -0.473 55.115 55.803 -0.359 0.000 0.906 278 Q CB -0.098 28.498 28.738 -0.236 0.000 1.227 278 Q HN 0.412 8.519 8.270 -0.271 0.000 0.409 279 Q N 7.517 127.068 119.800 -0.415 0.000 2.395 279 Q HA 0.068 nan 4.340 nan 0.000 0.271 279 Q C -1.523 174.343 176.000 -0.223 0.000 1.026 279 Q CA -0.902 54.730 55.803 -0.285 0.000 0.900 279 Q CB 0.532 29.294 28.738 0.040 0.000 1.266 279 Q HN -0.065 8.101 8.270 -0.173 0.000 0.430 280 P HA 0.383 nan 4.420 nan 0.000 0.287 280 P C -1.551 175.721 177.300 -0.046 0.000 1.279 280 P CA -2.919 60.121 63.100 -0.101 0.000 0.867 280 P CB 0.055 31.704 31.700 -0.085 0.000 1.127 281 P HA -0.287 nan 4.420 nan 0.000 0.226 281 P C 0.138 177.431 177.300 -0.013 0.000 1.154 281 P CA 2.539 65.625 63.100 -0.022 0.000 0.918 281 P CB -0.177 31.512 31.700 -0.019 0.000 0.790 282 E N -2.023 118.172 120.200 -0.009 0.000 2.038 282 E HA -0.162 nan 4.350 nan 0.000 0.195 282 E C 1.681 178.284 176.600 0.005 0.000 1.000 282 E CA 2.172 58.571 56.400 -0.001 0.000 0.803 282 E CB -0.094 29.608 29.700 0.003 0.000 0.750 282 E HN 0.389 8.718 8.360 -0.012 0.024 0.448 283 S N -1.394 114.315 115.700 0.015 0.000 2.461 283 S HA -0.086 nan 4.470 nan 0.000 0.228 283 S C 0.026 174.637 174.600 0.018 0.000 1.005 283 S CA 1.079 59.297 58.200 0.031 0.000 0.942 283 S CB 0.459 63.706 63.200 0.079 0.000 0.776 283 S HN 0.034 8.282 8.310 0.014 0.071 0.514 284 S N 2.639 118.336 115.700 -0.005 0.000 2.858 284 S HA -0.219 nan 4.470 nan 0.000 0.328 284 S C -0.539 174.040 174.600 -0.035 0.000 1.149 284 S CA -0.074 58.106 58.200 -0.034 0.000 1.421 284 S CB -0.186 62.989 63.200 -0.041 0.000 1.461 284 S HN -0.741 7.466 8.310 -0.009 0.098 0.587 285 A N 8.804 131.608 122.820 -0.027 0.000 2.547 285 A HA -0.189 nan 4.320 nan 0.000 0.233 285 A C 0.265 177.858 177.584 0.015 0.000 1.067 285 A CA 0.094 52.171 52.037 0.065 0.000 0.763 285 A CB 0.205 19.284 19.000 0.131 0.000 1.007 285 A HN 0.109 8.228 8.150 -0.032 0.012 0.506 286 H N 1.565 120.630 119.070 -0.009 0.000 2.291 286 H HA -0.395 nan 4.556 nan 0.000 0.275 286 H C 1.075 176.305 175.328 -0.163 0.000 1.115 286 H CA 2.808 58.803 56.048 -0.088 0.000 1.200 286 H CB -1.684 27.986 29.762 -0.153 0.000 1.444 286 H HN 0.702 9.321 8.280 0.565 0.000 0.576 287 Y N -2.066 117.779 120.300 -0.757 0.000 2.256 287 Y HA -0.226 nan 4.550 nan 0.000 0.288 287 Y C -0.804 174.920 175.900 -0.294 0.000 1.155 287 Y CA -1.853 55.855 58.100 -0.653 0.000 1.203 287 Y CB -1.596 36.603 38.460 -0.436 0.000 0.980 287 Y HN -0.518 7.535 8.280 -0.378 0.000 0.530 288 A N -0.794 121.627 122.820 -0.666 0.000 2.395 288 A HA -0.080 nan 4.320 nan 0.000 0.286 288 A C -0.108 177.347 177.584 -0.215 0.000 1.193 288 A CA -0.606 51.138 52.037 -0.489 0.000 0.852 288 A CB -0.399 18.252 19.000 -0.582 0.000 1.118 288 A HN -0.502 7.126 8.150 -0.815 0.032 0.524 289 K N 4.728 125.053 120.400 -0.124 0.000 2.217 289 K HA -0.210 nan 4.320 nan 0.000 0.202 289 K C -0.906 175.695 176.600 0.002 0.000 1.051 289 K CA 1.355 57.620 56.287 -0.038 0.000 0.952 289 K CB 0.587 33.095 32.500 0.014 0.000 0.736 289 K HN 0.286 8.457 8.250 -0.132 0.000 0.453 290 A N -4.017 118.815 122.820 0.020 0.000 2.586 290 A HA 0.321 nan 4.320 nan 0.000 0.291 290 A C -2.877 174.788 177.584 0.135 0.000 1.062 290 A CA -0.243 51.838 52.037 0.073 0.000 0.666 290 A CB 2.287 21.364 19.000 0.128 0.000 1.281 290 A HN -0.849 7.264 8.150 -0.013 0.029 0.421 291 T N -4.732 109.903 114.554 0.135 0.000 2.942 291 T HA 0.458 nan 4.350 nan 0.000 0.327 291 T C -2.221 172.566 174.700 0.145 0.000 1.360 291 T CA -0.678 61.528 62.100 0.176 0.000 1.055 291 T CB 2.745 71.646 68.868 0.054 0.000 1.261 291 T HN -0.036 8.241 8.240 0.061 0.000 0.485 292 V N 0.967 121.012 119.914 0.219 0.000 2.577 292 V HA 0.677 nan 4.120 nan 0.000 0.303 292 V C -1.789 174.430 176.094 0.208 0.000 1.042 292 V CA -1.128 61.267 62.300 0.158 0.000 0.872 292 V CB 2.721 34.617 31.823 0.122 0.000 0.998 292 V HN 0.401 8.661 8.190 0.312 0.118 0.423 293 D N 5.063 125.614 120.400 0.252 0.000 2.217 293 D HA 0.702 nan 4.640 nan 0.000 0.248 293 D C -1.236 175.174 176.300 0.183 0.000 1.008 293 D CA -1.637 52.497 54.000 0.224 0.000 0.914 293 D CB 2.825 43.763 40.800 0.231 0.000 1.182 293 D HN 0.399 8.959 8.370 0.315 0.000 0.451 294 I N 1.579 122.226 120.570 0.127 0.000 2.371 294 I HA 0.343 nan 4.170 nan 0.000 0.282 294 I C -0.905 175.218 176.117 0.011 0.000 1.031 294 I CA -0.751 60.597 61.300 0.081 0.000 1.180 294 I CB 0.086 38.137 38.000 0.086 0.000 1.336 294 I HN 0.083 8.367 8.210 0.124 0.000 0.467 295 L N 5.620 126.837 121.223 -0.010 0.000 2.439 295 L HA 0.488 nan 4.340 nan 0.000 0.261 295 L C -1.530 175.264 176.870 -0.126 0.000 1.153 295 L CA -0.938 53.861 54.840 -0.067 0.000 0.808 295 L CB 0.603 42.589 42.059 -0.121 0.000 1.126 295 L HN 0.714 8.863 8.230 0.018 0.092 0.460 296 Y N 1.533 121.612 120.300 -0.367 0.000 2.462 296 Y HA 0.329 nan 4.550 nan 0.000 0.346 296 Y C -1.127 174.430 175.900 -0.572 0.000 0.976 296 Y CA -1.940 55.805 58.100 -0.592 0.000 1.044 296 Y CB 4.178 42.000 38.460 -1.064 0.000 1.230 296 Y HN 0.815 8.904 8.280 -0.143 0.105 0.455 297 R N 6.803 126.430 120.500 -1.455 0.000 4.154 297 R HA -0.076 nan 4.340 nan 0.000 0.186 297 R C -0.799 175.137 176.300 -0.605 0.000 1.750 297 R CA -0.034 55.548 56.100 -0.864 0.000 1.431 297 R CB -1.100 28.796 30.300 -0.673 0.000 1.383 297 R HN 0.193 7.292 8.270 -1.951 0.000 0.788 298 F N 3.090 122.902 119.950 -0.230 0.000 2.518 298 F HA 0.085 nan 4.527 nan 0.000 0.359 298 F C -0.238 175.479 175.800 -0.138 0.000 1.118 298 F CA -1.277 56.699 58.000 -0.040 0.000 1.287 298 F CB -0.955 37.934 39.000 -0.185 0.000 1.132 298 F HN -0.146 7.923 8.300 -0.279 0.064 0.587 299 P HA -0.295 nan 4.420 nan 0.000 0.217 299 P C -0.870 176.454 177.300 0.041 0.000 1.158 299 P CA 2.774 65.923 63.100 0.082 0.000 0.887 299 P CB 0.139 31.882 31.700 0.071 0.000 0.792 300 H N -7.018 112.000 119.070 -0.087 0.000 2.556 300 H HA 0.013 nan 4.556 nan 0.000 0.268 300 H C -0.069 175.180 175.328 -0.131 0.000 0.996 300 H CA -0.290 55.678 56.048 -0.135 0.000 1.157 300 H CB -0.203 29.432 29.762 -0.212 0.000 1.355 300 H HN -0.286 8.227 8.280 0.394 0.004 0.597 301 G N -0.628 107.914 108.800 -0.430 0.000 2.326 301 G HA2 -0.191 nan 3.960 nan 0.000 0.478 301 G HA3 -0.191 nan 3.960 nan 0.000 0.478 301 G C -2.221 172.478 174.900 -0.334 0.000 1.551 301 G CA -0.306 44.587 45.100 -0.345 0.000 0.946 301 G HN -0.242 7.627 8.290 -0.368 0.200 0.671 302 S N 1.213 116.770 115.700 -0.238 0.000 2.670 302 S HA -0.061 nan 4.470 nan 0.000 0.308 302 S C -0.375 174.124 174.600 -0.168 0.000 1.232 302 S CA 1.160 59.228 58.200 -0.221 0.000 1.126 302 S CB 0.020 63.102 63.200 -0.197 0.000 0.897 302 S HN 0.144 8.330 8.310 -0.208 0.000 0.508 303 L N 4.592 125.787 121.223 -0.047 0.000 2.341 303 L HA 0.368 nan 4.340 nan 0.000 0.254 303 L C -1.686 175.339 176.870 0.257 0.000 1.040 303 L CA -1.835 53.074 54.840 0.116 0.000 0.837 303 L CB 5.109 47.243 42.059 0.125 0.000 1.425 303 L HN 0.195 8.413 8.230 -0.021 0.000 0.414 304 E N -0.095 120.258 120.200 0.256 0.000 2.465 304 E HA -0.121 nan 4.350 nan 0.000 0.260 304 E C -0.999 175.760 176.600 0.264 0.000 0.980 304 E CA 1.576 58.086 56.400 0.183 0.000 0.927 304 E CB 0.491 30.262 29.700 0.118 0.000 0.934 304 E HN 0.185 8.692 8.360 0.245 0.000 0.459 305 L N 5.536 126.830 121.223 0.119 0.000 2.614 305 L HA 0.310 nan 4.340 nan 0.000 0.185 305 L C -1.502 175.372 176.870 0.007 0.000 1.098 305 L CA 0.597 55.451 54.840 0.024 0.000 0.852 305 L CB 2.406 44.306 42.059 -0.264 0.000 1.213 305 L HN -0.025 8.244 8.230 0.064 0.000 0.491 306 E N -2.943 117.279 120.200 0.036 0.000 2.336 306 E HA 0.440 nan 4.350 nan 0.000 0.267 306 E C -1.868 174.835 176.600 0.172 0.000 0.906 306 E CA -1.566 54.939 56.400 0.176 0.000 0.781 306 E CB 4.135 34.045 29.700 0.350 0.000 1.261 306 E HN -0.748 7.614 8.360 0.004 0.000 0.436 307 G N 1.371 110.282 108.800 0.185 0.000 2.866 307 G HA2 0.564 nan 3.960 nan 0.000 0.291 307 G HA3 0.564 nan 3.960 nan 0.000 0.291 307 G C -1.685 173.313 174.900 0.163 0.000 1.476 307 G CA -0.561 44.640 45.100 0.168 0.000 1.048 307 G HN 0.798 9.090 8.290 0.196 0.116 0.542 308 I N 7.222 127.908 120.570 0.193 0.000 2.241 308 I HA 0.241 nan 4.170 nan 0.000 0.294 308 I C -1.507 174.709 176.117 0.164 0.000 1.145 308 I CA -1.180 60.230 61.300 0.184 0.000 1.261 308 I CB -1.472 36.699 38.000 0.286 0.000 1.475 308 I HN 0.602 8.941 8.210 0.216 0.000 0.533 309 A N 7.339 130.162 122.820 0.005 0.000 2.250 309 A HA 0.630 nan 4.320 nan 0.000 0.283 309 A C -1.514 175.859 177.584 -0.351 0.000 1.206 309 A CA -0.594 51.385 52.037 -0.097 0.000 0.840 309 A CB 1.334 20.258 19.000 -0.126 0.000 1.220 309 A HN 0.734 8.893 8.150 0.014 0.000 0.505 310 Q N -1.114 118.538 119.800 -0.247 0.000 3.712 310 Q HA 0.160 nan 4.340 nan 0.000 0.242 310 Q C -1.927 174.007 176.000 -0.111 0.000 0.837 310 Q CA -0.766 54.912 55.803 -0.208 0.000 0.826 310 Q CB 0.538 29.193 28.738 -0.139 0.000 1.529 310 Q HN -0.037 8.122 8.270 -0.185 0.000 0.405 311 R N 2.515 122.949 120.500 -0.111 0.000 2.738 311 R HA 0.317 nan 4.340 nan 0.000 0.268 311 R C -0.390 175.834 176.300 -0.126 0.000 1.062 311 R CA 0.052 56.110 56.100 -0.070 0.000 1.158 311 R CB 0.846 31.222 30.300 0.125 0.000 1.046 311 R HN -0.040 8.176 8.270 -0.090 0.000 0.493 312 T N -1.091 113.323 114.554 -0.234 0.000 3.077 312 T HA 0.253 nan 4.350 nan 0.000 0.359 312 T C -1.201 173.128 174.700 -0.618 0.000 1.108 312 T CA -1.622 60.035 62.100 -0.737 0.000 1.170 312 T CB -0.022 68.119 68.868 -1.211 0.000 1.045 312 T HN 0.197 8.362 8.240 -0.125 0.000 0.505 313 D N 2.512 122.738 120.400 -0.290 0.000 3.067 313 D HA -0.413 nan 4.640 nan 0.000 0.216 313 D C -0.509 175.740 176.300 -0.085 0.000 1.162 313 D CA 2.221 56.160 54.000 -0.102 0.000 0.960 313 D CB -1.486 39.346 40.800 0.052 0.000 1.129 313 D HN 0.371 8.633 8.370 -0.180 0.000 0.408 314 F N -0.477 119.359 119.950 -0.190 0.000 2.149 314 F HA -0.303 nan 4.527 nan 0.000 0.294 314 F C 0.177 175.871 175.800 -0.176 0.000 1.095 314 F CA 3.589 61.501 58.000 -0.147 0.000 1.276 314 F CB -0.008 38.928 39.000 -0.107 0.000 1.023 314 F HN -0.008 8.211 8.300 0.022 0.094 0.480 315 D N 0.297 120.310 120.400 -0.645 0.000 2.078 315 D HA -0.263 nan 4.640 nan 0.000 0.193 315 D C 2.420 178.435 176.300 -0.476 0.000 0.990 315 D CA 4.079 57.570 54.000 -0.849 0.000 0.827 315 D CB -0.553 39.492 40.800 -1.258 0.000 0.975 315 D HN -0.045 8.169 8.370 -0.261 0.000 0.451 316 L N -2.071 118.963 121.223 -0.316 0.000 2.083 316 L HA -0.213 nan 4.340 nan 0.000 0.209 316 L C 2.828 179.547 176.870 -0.251 0.000 1.083 316 L CA 2.598 57.302 54.840 -0.227 0.000 0.752 316 L CB -0.376 41.491 42.059 -0.320 0.000 0.899 316 L HN -0.019 8.034 8.230 -0.295 0.000 0.433 317 G N -1.291 107.346 108.800 -0.273 0.000 2.446 317 G HA2 -0.338 nan 3.960 nan 0.000 0.217 317 G HA3 -0.338 nan 3.960 nan 0.000 0.217 317 G C 1.522 176.246 174.900 -0.293 0.000 1.168 317 G CA 1.953 46.916 45.100 -0.229 0.000 0.771 317 G HN -0.163 7.789 8.290 -0.270 0.175 0.551 318 S N -0.080 115.323 115.700 -0.494 0.000 2.474 318 S HA -0.188 nan 4.470 nan 0.000 0.235 318 S C 0.522 174.751 174.600 -0.618 0.000 0.997 318 S CA 2.172 60.046 58.200 -0.543 0.000 0.949 318 S CB 0.241 62.948 63.200 -0.822 0.000 0.766 318 S HN 0.144 7.941 8.310 -0.669 0.111 0.517 319 H N -3.728 115.138 119.070 -0.340 0.000 2.672 319 H HA 0.318 nan 4.556 nan 0.000 0.277 319 H C -1.456 173.706 175.328 -0.278 0.000 1.074 319 H CA -0.204 55.658 56.048 -0.309 0.000 1.173 319 H CB 1.239 30.887 29.762 -0.191 0.000 1.558 319 H HN -0.606 7.312 8.280 -0.305 0.179 0.539 320 T N -0.520 113.921 114.554 -0.188 0.000 2.895 320 T HA 0.323 nan 4.350 nan 0.000 0.283 320 T C -1.456 173.132 174.700 -0.187 0.000 1.014 320 T CA -1.782 60.207 62.100 -0.185 0.000 1.037 320 T CB 1.520 70.260 68.868 -0.214 0.000 1.006 320 T HN -0.751 7.355 8.240 -0.225 0.000 0.468 321 K N 4.720 125.018 120.400 -0.171 0.000 2.138 321 K HA -0.026 nan 4.320 nan 0.000 0.251 321 K C -0.753 175.741 176.600 -0.177 0.000 1.015 321 K CA 0.680 56.876 56.287 -0.152 0.000 0.917 321 K CB 0.943 33.364 32.500 -0.132 0.000 1.021 321 K HN 0.529 8.569 8.250 -0.167 0.110 0.485 322 D N -3.333 116.978 120.400 -0.149 0.000 3.012 322 D HA -0.356 nan 4.640 nan 0.000 0.222 322 D C 1.299 177.517 176.300 -0.136 0.000 1.167 322 D CA 2.271 56.178 54.000 -0.156 0.000 0.854 322 D CB -0.829 39.826 40.800 -0.242 0.000 1.107 322 D HN 0.524 8.823 8.370 -0.119 0.000 0.421 323 Q N -1.922 117.809 119.800 -0.115 0.000 2.142 323 Q HA -0.538 nan 4.340 nan 0.000 0.213 323 Q C 1.110 177.076 176.000 -0.057 0.000 1.004 323 Q CA 3.993 59.742 55.803 -0.091 0.000 0.883 323 Q CB -0.094 28.600 28.738 -0.073 0.000 0.939 323 Q HN 0.175 8.336 8.270 -0.116 0.040 0.413 324 E N -3.154 117.020 120.200 -0.043 0.000 2.118 324 E HA -0.248 nan 4.350 nan 0.000 0.195 324 E C 0.607 177.199 176.600 -0.013 0.000 0.992 324 E CA 2.232 58.621 56.400 -0.019 0.000 0.804 324 E CB -0.857 28.835 29.700 -0.013 0.000 0.741 324 E HN 0.004 8.328 8.360 -0.048 0.008 0.458 325 A N 0.110 122.909 122.820 -0.035 0.000 1.825 325 A HA -0.120 nan 4.320 nan 0.000 0.214 325 A C 0.479 178.069 177.584 0.009 0.000 1.206 325 A CA 1.496 53.523 52.037 -0.018 0.000 0.609 325 A CB 0.312 19.277 19.000 -0.058 0.000 0.851 325 A HN -0.142 7.876 8.150 -0.061 0.095 0.445 326 L N -3.352 117.853 121.223 -0.030 0.000 2.530 326 L HA -0.010 nan 4.340 nan 0.000 0.273 326 L C 0.521 177.418 176.870 0.045 0.000 1.141 326 L CA -0.456 54.398 54.840 0.024 0.000 0.905 326 L CB -1.403 40.624 42.059 -0.054 0.000 1.202 326 L HN -0.739 7.432 8.230 -0.100 0.000 0.473 327 G N 3.742 112.596 108.800 0.090 0.000 2.576 327 G HA2 -0.210 nan 3.960 nan 0.000 0.291 327 G HA3 -0.210 nan 3.960 nan 0.000 0.291 327 G C -0.275 174.686 174.900 0.101 0.000 0.782 327 G CA -0.069 45.084 45.100 0.087 0.000 1.886 327 G HN 0.136 8.496 8.290 0.117 0.000 0.493 328 I N 3.627 124.239 120.570 0.070 0.000 2.938 328 I HA -0.126 nan 4.170 nan 0.000 0.285 328 I C 0.759 176.939 176.117 0.106 0.000 1.182 328 I CA 0.900 62.248 61.300 0.081 0.000 1.388 328 I CB 1.207 39.227 38.000 0.034 0.000 1.390 328 I HN -0.494 7.742 8.210 0.044 0.000 0.600 329 T N 3.371 118.006 114.554 0.135 0.000 3.608 329 T HA 0.172 nan 4.350 nan 0.000 0.213 329 T C 0.279 175.041 174.700 0.103 0.000 0.897 329 T CA -0.153 62.034 62.100 0.145 0.000 1.533 329 T CB 0.356 69.369 68.868 0.240 0.000 1.504 329 T HN 0.028 8.709 8.240 0.138 -0.358 0.446 330 A N 3.147 126.020 122.820 0.089 0.000 2.409 330 A HA 0.020 nan 4.320 nan 0.000 0.246 330 A C -0.940 176.706 177.584 0.103 0.000 1.099 330 A CA -0.392 51.689 52.037 0.073 0.000 0.789 330 A CB 0.507 19.529 19.000 0.038 0.000 1.053 330 A HN 0.121 8.319 8.150 0.080 0.000 0.503 331 R N -1.147 119.409 120.500 0.093 0.000 2.638 331 R HA -0.223 nan 4.340 nan 0.000 0.268 331 R C -1.022 175.413 176.300 0.224 0.000 1.006 331 R CA 0.592 56.760 56.100 0.112 0.000 1.088 331 R CB 0.372 30.707 30.300 0.059 0.000 0.950 331 R HN 0.176 8.478 8.270 0.054 0.000 0.419 332 V N -3.697 116.308 119.914 0.152 0.000 3.282 332 V HA 0.286 nan 4.120 nan 0.000 0.295 332 V C -1.788 174.355 176.094 0.082 0.000 1.451 332 V CA -1.543 60.835 62.300 0.129 0.000 1.062 332 V CB 2.479 34.313 31.823 0.018 0.000 1.128 332 V HN -0.347 7.903 8.190 0.101 0.000 0.456 333 L N -1.850 119.422 121.223 0.080 0.000 2.334 333 L HA 0.432 nan 4.340 nan 0.000 0.275 333 L C -0.610 176.337 176.870 0.127 0.000 1.036 333 L CA -1.205 53.696 54.840 0.101 0.000 0.807 333 L CB 1.535 43.647 42.059 0.087 0.000 1.231 333 L HN 0.071 8.343 8.230 0.071 0.000 0.438 334 R N 0.844 121.412 120.500 0.113 0.000 2.446 334 R HA -0.254 nan 4.340 nan 0.000 0.325 334 R C -0.753 175.658 176.300 0.185 0.000 0.997 334 R CA -0.014 56.141 56.100 0.092 0.000 1.010 334 R CB -0.135 30.210 30.300 0.075 0.000 0.946 334 R HN 0.201 8.529 8.270 0.096 0.000 0.422 335 N N 5.741 124.467 118.700 0.043 0.000 2.411 335 N HA -0.067 nan 4.740 nan 0.000 0.259 335 N C -0.357 175.162 175.510 0.014 0.000 1.103 335 N CA 0.138 53.100 53.050 -0.147 0.000 0.954 335 N CB 0.747 38.882 38.487 -0.588 0.000 1.085 335 N HN 0.187 8.543 8.380 -0.039 0.000 0.485 336 E N 5.665 126.045 120.200 0.299 0.000 2.452 336 E HA 0.035 nan 4.350 nan 0.000 0.197 336 E C 0.848 177.540 176.600 0.154 0.000 1.022 336 E CA 1.335 57.867 56.400 0.221 0.000 0.890 336 E CB 1.029 30.851 29.700 0.204 0.000 0.918 336 E HN 0.543 9.284 8.360 0.635 0.000 0.496 337 H N -2.183 116.914 119.070 0.047 0.000 2.615 337 H HA 0.209 nan 4.556 nan 0.000 0.275 337 H C 0.135 175.455 175.328 -0.015 0.000 0.981 337 H CA -0.434 55.647 56.048 0.055 0.000 1.252 337 H CB 0.507 30.370 29.762 0.167 0.000 1.447 337 H HN -0.621 8.158 8.280 0.461 -0.223 0.498 338 S N 1.347 117.059 115.700 0.020 0.000 2.737 338 S HA -0.182 nan 4.470 nan 0.000 0.315 338 S C 0.891 175.479 174.600 -0.019 0.000 1.236 338 S CA 0.004 58.184 58.200 -0.034 0.000 1.093 338 S CB 0.835 63.958 63.200 -0.128 0.000 0.832 338 S HN -0.517 7.966 8.310 -0.084 -0.223 0.507 339 T N 2.441 116.997 114.554 0.003 0.000 2.951 339 T HA -0.090 nan 4.350 nan 0.000 0.268 339 T C 0.666 175.349 174.700 -0.029 0.000 1.073 339 T CA 0.608 62.705 62.100 -0.005 0.000 1.134 339 T CB 0.034 68.907 68.868 0.009 0.000 0.884 339 T HN 0.065 8.319 8.240 0.023 0.000 0.479 340 Q N 0.852 120.631 119.800 -0.036 0.000 2.222 340 Q HA 0.148 nan 4.340 nan 0.000 0.252 340 Q C -0.750 175.190 176.000 -0.100 0.000 0.926 340 Q CA -0.910 54.862 55.803 -0.052 0.000 0.899 340 Q CB 1.861 30.584 28.738 -0.025 0.000 1.250 340 Q HN -0.605 7.621 8.270 -0.028 0.027 0.441 341 R N 3.800 124.223 120.500 -0.128 0.000 3.256 341 R HA 0.146 nan 4.340 nan 0.000 0.263 341 R C -1.426 174.742 176.300 -0.220 0.000 1.388 341 R CA -1.709 54.263 56.100 -0.215 0.000 1.580 341 R CB -1.083 29.040 30.300 -0.295 0.000 1.255 341 R HN 0.436 8.647 8.270 -0.098 0.000 0.640 342 L N 2.284 123.381 121.223 -0.210 0.000 2.699 342 L HA -0.137 nan 4.340 nan 0.000 0.283 342 L C -1.017 175.587 176.870 -0.444 0.000 1.166 342 L CA 0.707 55.373 54.840 -0.289 0.000 1.043 342 L CB -1.849 40.025 42.059 -0.309 0.000 1.369 342 L HN -0.289 7.828 8.230 -0.188 0.000 0.462 343 A N 4.217 126.838 122.820 -0.332 0.000 2.612 343 A HA 0.435 nan 4.320 nan 0.000 0.293 343 A C -2.286 175.303 177.584 0.008 0.000 1.075 343 A CA -0.597 51.273 52.037 -0.277 0.000 0.680 343 A CB 3.082 21.933 19.000 -0.247 0.000 1.279 343 A HN -0.515 7.534 8.150 -0.169 0.000 0.411 344 Y N 0.958 121.145 120.300 -0.188 0.000 2.331 344 Y HA 0.226 nan 4.550 nan 0.000 0.338 344 Y C -0.848 175.066 175.900 0.024 0.000 0.992 344 Y CA -1.056 57.001 58.100 -0.073 0.000 1.121 344 Y CB 3.552 41.866 38.460 -0.244 0.000 1.184 344 Y HN 0.134 8.298 8.280 -0.194 0.000 0.469 345 R N 6.010 126.292 120.500 -0.364 0.000 2.254 345 R HA -0.012 nan 4.340 nan 0.000 0.195 345 R C -1.586 174.467 176.300 -0.412 0.000 0.957 345 R CA 1.024 56.892 56.100 -0.388 0.000 1.024 345 R CB 0.270 30.158 30.300 -0.688 0.000 0.952 345 R HN 0.302 8.343 8.270 -0.380 0.000 0.484 346 D N -1.399 118.586 120.400 -0.692 0.000 2.460 346 D HA 0.433 nan 4.640 nan 0.000 0.232 346 D C -1.867 174.445 176.300 0.020 0.000 1.079 346 D CA -3.378 50.445 54.000 -0.294 0.000 0.864 346 D CB 1.957 42.609 40.800 -0.248 0.000 1.048 346 D HN -0.421 7.077 8.370 -1.455 0.000 0.523 347 P HA 0.286 nan 4.420 nan 0.000 0.346 347 P C -0.769 176.564 177.300 0.054 0.000 1.303 347 P CA -0.834 62.348 63.100 0.137 0.000 0.801 347 P CB 1.142 32.809 31.700 -0.054 0.000 1.827 348 E N -1.772 118.438 120.200 0.016 0.000 2.338 348 E HA -0.173 nan 4.350 nan 0.000 0.197 348 E C 0.295 176.889 176.600 -0.011 0.000 1.007 348 E CA 1.964 58.368 56.400 0.008 0.000 0.849 348 E CB 0.024 29.723 29.700 -0.002 0.000 0.774 348 E HN 0.543 8.897 8.360 -0.010 0.000 0.506 349 T N -4.980 109.560 114.554 -0.022 0.000 3.405 349 T HA 0.314 nan 4.350 nan 0.000 0.282 349 T C 0.096 174.768 174.700 -0.048 0.000 1.198 349 T CA -0.563 61.518 62.100 -0.032 0.000 0.959 349 T CB 1.117 69.964 68.868 -0.034 0.000 2.368 349 T HN -0.598 7.570 8.240 -0.025 0.057 0.519 350 G N -1.533 107.231 108.800 -0.059 0.000 4.385 350 G HA2 0.174 nan 3.960 nan 0.000 0.283 350 G HA3 0.174 nan 3.960 nan 0.000 0.283 350 G C -1.738 173.091 174.900 -0.118 0.000 1.020 350 G CA 0.012 45.044 45.100 -0.115 0.000 0.790 350 G HN -0.102 8.162 8.290 -0.044 0.000 0.420 351 K N 1.924 122.313 120.400 -0.018 0.000 2.316 351 K HA -0.010 nan 4.320 nan 0.000 0.289 351 K C -0.686 176.058 176.600 0.239 0.000 1.070 351 K CA -0.266 56.069 56.287 0.080 0.000 0.928 351 K CB 0.337 32.885 32.500 0.080 0.000 1.039 351 K HN -0.849 7.395 8.250 -0.010 0.000 0.480 352 W N 4.740 126.109 121.300 0.115 0.000 2.322 352 W HA -0.242 nan 4.660 nan 0.000 0.328 352 W C -0.429 176.228 176.519 0.230 0.000 1.395 352 W CA 0.386 57.798 57.345 0.112 0.000 1.267 352 W CB -0.035 29.445 29.460 0.033 0.000 1.259 352 W HN 0.298 8.668 8.180 0.317 0.000 0.560 353 F N -1.313 118.811 119.950 0.291 0.000 2.650 353 F HA 0.478 nan 4.527 nan 0.000 0.320 353 F C -2.660 173.229 175.800 0.147 0.000 1.091 353 F CA -2.427 55.686 58.000 0.188 0.000 0.962 353 F CB 2.578 41.680 39.000 0.170 0.000 1.363 353 F HN 0.018 8.537 8.300 0.366 0.000 0.482 354 V N 1.662 121.661 119.914 0.141 0.000 2.334 354 V HA 0.214 nan 4.120 nan 0.000 0.281 354 V C -1.656 174.498 176.094 0.100 0.000 1.016 354 V CA -3.341 58.931 62.300 -0.047 0.000 0.832 354 V CB 0.075 31.876 31.823 -0.037 0.000 0.999 354 V HN 0.368 8.764 8.190 0.343 0.000 0.439 355 P HA -0.045 nan 4.420 nan 0.000 0.267 355 P C -1.757 175.750 177.300 0.346 0.000 1.201 355 P CA -0.343 62.869 63.100 0.187 0.000 0.775 355 P CB 0.620 32.360 31.700 0.068 0.000 0.854 356 Y N -0.300 120.115 120.300 0.191 0.000 2.432 356 Y HA 0.315 nan 4.550 nan 0.000 0.322 356 Y C -0.762 175.249 175.900 0.185 0.000 1.246 356 Y CA -1.033 57.174 58.100 0.178 0.000 1.268 356 Y CB 2.981 41.554 38.460 0.188 0.000 1.276 356 Y HN 0.208 8.800 8.280 0.519 0.000 0.499 357 V N -4.522 115.532 119.914 0.232 0.000 2.962 357 V HA 0.753 nan 4.120 nan 0.000 0.313 357 V C -1.795 174.333 176.094 0.058 0.000 1.099 357 V CA -2.877 59.504 62.300 0.135 0.000 0.971 357 V CB 3.588 35.496 31.823 0.142 0.000 1.028 357 V HN -0.287 7.976 8.190 0.121 0.000 0.430 358 I N 1.752 122.312 120.570 -0.017 0.000 2.404 358 I HA 0.370 nan 4.170 nan 0.000 0.293 358 I C -1.877 174.101 176.117 -0.232 0.000 0.992 358 I CA -1.860 59.383 61.300 -0.096 0.000 1.149 358 I CB 1.876 39.915 38.000 0.064 0.000 1.315 358 I HN 0.418 8.593 8.210 -0.059 0.000 0.446 359 E N 7.360 127.440 120.200 -0.201 0.000 2.216 359 E HA 0.523 nan 4.350 nan 0.000 0.260 359 E C -2.851 173.677 176.600 -0.119 0.000 0.880 359 E CA -3.671 52.630 56.400 -0.166 0.000 0.765 359 E CB 3.485 33.189 29.700 0.008 0.000 1.174 359 E HN 0.034 8.161 8.360 -0.206 0.110 0.417 360 P HA 0.266 nan 4.420 nan 0.000 0.285 360 P C -1.944 175.406 177.300 0.084 0.000 1.448 360 P CA -0.668 62.430 63.100 -0.003 0.000 0.953 360 P CB 0.284 31.948 31.700 -0.060 0.000 1.175 361 S N 6.157 121.933 115.700 0.126 0.000 2.420 361 S HA 0.412 nan 4.470 nan 0.000 0.313 361 S C -1.647 173.056 174.600 0.171 0.000 1.079 361 S CA -1.250 57.028 58.200 0.130 0.000 1.104 361 S CB 0.585 63.870 63.200 0.142 0.000 0.969 361 S HN 0.540 8.820 8.310 0.131 0.109 0.471 362 A N 6.358 129.270 122.820 0.153 0.000 2.317 362 A HA 0.789 nan 4.320 nan 0.000 0.327 362 A C -1.499 176.165 177.584 0.134 0.000 1.178 362 A CA -2.199 49.977 52.037 0.230 0.000 0.817 362 A CB 2.559 21.787 19.000 0.380 0.000 1.189 362 A HN 0.727 8.917 8.150 0.066 0.000 0.489 363 G N 1.737 110.636 108.800 0.164 0.000 2.356 363 G HA2 0.223 nan 3.960 nan 0.000 0.300 363 G HA3 0.223 nan 3.960 nan 0.000 0.300 363 G C -0.233 174.749 174.900 0.138 0.000 1.107 363 G CA -0.588 44.594 45.100 0.137 0.000 0.960 363 G HN -0.116 8.278 8.290 0.174 0.000 0.418 364 V N 6.954 126.920 119.914 0.086 0.000 2.287 364 V HA -0.585 nan 4.120 nan 0.000 0.248 364 V C 1.634 177.790 176.094 0.103 0.000 1.053 364 V CA 4.295 66.641 62.300 0.077 0.000 1.027 364 V CB -0.322 31.483 31.823 -0.030 0.000 0.646 364 V HN 0.012 8.231 8.190 0.050 0.000 0.447 365 D N -1.021 119.435 120.400 0.094 0.000 2.123 365 D HA -0.347 nan 4.640 nan 0.000 0.196 365 D C 2.329 178.640 176.300 0.019 0.000 0.992 365 D CA 4.350 58.405 54.000 0.092 0.000 0.833 365 D CB -0.653 40.185 40.800 0.063 0.000 0.954 365 D HN -0.366 8.069 8.370 0.107 0.000 0.455 366 R N -0.902 119.598 120.500 0.001 0.000 2.090 366 R HA -0.210 nan 4.340 nan 0.000 0.228 366 R C 2.430 178.805 176.300 0.126 0.000 1.110 366 R CA 2.761 58.875 56.100 0.025 0.000 0.973 366 R CB -0.329 29.981 30.300 0.015 0.000 0.869 366 R HN -0.072 8.120 8.270 0.010 0.084 0.440 367 G N -0.111 108.781 108.800 0.152 0.000 2.442 367 G HA2 -0.312 nan 3.960 nan 0.000 0.219 367 G HA3 -0.312 nan 3.960 nan 0.000 0.219 367 G C 1.185 176.207 174.900 0.202 0.000 1.141 367 G CA 2.456 47.710 45.100 0.257 0.000 0.763 367 G HN 0.418 8.625 8.290 0.171 0.185 0.554 368 V N 3.406 123.415 119.914 0.159 0.000 2.307 368 V HA -0.353 nan 4.120 nan 0.000 0.245 368 V C 1.810 177.938 176.094 0.058 0.000 1.045 368 V CA 3.834 66.204 62.300 0.115 0.000 1.024 368 V CB -0.661 31.243 31.823 0.135 0.000 0.651 368 V HN -0.236 7.954 8.190 0.155 0.093 0.449 369 L N -1.451 119.795 121.223 0.039 0.000 2.042 369 L HA -0.497 nan 4.340 nan 0.000 0.210 369 L C 1.826 178.805 176.870 0.181 0.000 1.076 369 L CA 3.236 58.107 54.840 0.051 0.000 0.749 369 L CB -0.756 41.281 42.059 -0.037 0.000 0.893 369 L HN -0.394 7.785 8.230 0.028 0.068 0.432 370 A N -0.390 122.540 122.820 0.184 0.000 1.829 370 A HA -0.371 nan 4.320 nan 0.000 0.216 370 A C 1.774 179.252 177.584 -0.177 0.000 1.207 370 A CA 3.215 55.103 52.037 -0.247 0.000 0.622 370 A CB -0.975 17.596 19.000 -0.715 0.000 0.846 370 A HN 0.295 8.448 8.150 0.191 0.112 0.447 371 L N -2.407 118.769 121.223 -0.078 0.000 2.103 371 L HA -0.504 nan 4.340 nan 0.000 0.215 371 L C 2.707 179.593 176.870 0.028 0.000 1.080 371 L CA 2.850 57.691 54.840 0.002 0.000 0.764 371 L CB -0.498 41.599 42.059 0.064 0.000 0.890 371 L HN -0.141 8.065 8.230 -0.040 0.000 0.435 372 L N -2.348 118.890 121.223 0.026 0.000 2.007 372 L HA -0.427 nan 4.340 nan 0.000 0.205 372 L C 1.707 178.636 176.870 0.098 0.000 1.073 372 L CA 3.032 57.886 54.840 0.025 0.000 0.744 372 L CB -0.592 41.438 42.059 -0.048 0.000 0.898 372 L HN 0.161 8.385 8.230 0.023 0.020 0.435 373 A N -1.228 121.653 122.820 0.102 0.000 1.859 373 A HA -0.459 nan 4.320 nan 0.000 0.217 373 A C 2.289 179.970 177.584 0.163 0.000 1.198 373 A CA 3.314 55.425 52.037 0.124 0.000 0.629 373 A CB -1.218 17.927 19.000 0.243 0.000 0.830 373 A HN 0.246 8.349 8.150 0.100 0.108 0.446 374 E N -0.744 119.560 120.200 0.174 0.000 2.086 374 E HA -0.348 nan 4.350 nan 0.000 0.200 374 E C 1.057 177.741 176.600 0.139 0.000 1.012 374 E CA 2.465 58.971 56.400 0.177 0.000 0.812 374 E CB -0.377 29.416 29.700 0.155 0.000 0.743 374 E HN 0.183 8.626 8.360 0.138 0.000 0.453 375 A N -3.553 119.342 122.820 0.125 0.000 1.970 375 A HA -0.044 nan 4.320 nan 0.000 0.216 375 A C 1.059 178.732 177.584 0.148 0.000 1.170 375 A CA 0.943 53.044 52.037 0.107 0.000 0.645 375 A CB 0.412 19.455 19.000 0.071 0.000 0.816 375 A HN -0.549 7.578 8.150 0.113 0.091 0.447 376 F N 2.666 122.624 119.950 0.012 0.000 2.506 376 F HA -0.213 nan 4.527 nan 0.000 0.353 376 F C -0.863 174.943 175.800 0.011 0.000 1.194 376 F CA -0.412 57.593 58.000 0.008 0.000 1.048 376 F CB -0.408 38.596 39.000 0.006 0.000 1.160 376 F HN -0.021 8.472 8.300 0.322 0.000 0.598 377 T N 3.065 117.615 114.554 -0.005 0.000 2.940 377 T HA 0.389 nan 4.350 nan 0.000 0.288 377 T C -2.024 172.597 174.700 -0.131 0.000 1.033 377 T CA -2.049 60.069 62.100 0.031 0.000 1.033 377 T CB 3.205 72.079 68.868 0.011 0.000 1.079 377 T HN -0.018 8.149 8.240 -0.123 0.000 0.496 378 R N 3.086 123.568 120.500 -0.030 0.000 2.795 378 R HA 0.242 nan 4.340 nan 0.000 0.320 378 R C -0.971 175.314 176.300 -0.026 0.000 1.223 378 R CA -1.152 54.911 56.100 -0.061 0.000 1.305 378 R CB 0.048 30.367 30.300 0.031 0.000 1.318 378 R HN 0.306 8.599 8.270 0.040 0.000 0.636 379 E N 0.449 120.627 120.200 -0.035 0.000 2.438 379 E HA -0.207 nan 4.350 nan 0.000 0.261 379 E C -1.467 175.120 176.600 -0.021 0.000 1.103 379 E CA 0.159 56.545 56.400 -0.022 0.000 0.959 379 E CB 0.770 30.453 29.700 -0.028 0.000 0.958 379 E HN 0.115 8.443 8.360 -0.053 0.000 0.447 380 E N -0.565 119.628 120.200 -0.012 0.000 2.250 380 E HA 0.626 nan 4.350 nan 0.000 0.269 380 E C -0.377 176.217 176.600 -0.012 0.000 1.018 380 E CA -0.680 55.714 56.400 -0.009 0.000 0.873 380 E CB 1.941 31.639 29.700 -0.003 0.000 1.134 380 E HN 0.112 8.466 8.360 -0.009 0.000 0.403 381 L N -1.276 119.942 121.223 -0.010 0.000 2.401 381 L HA 0.709 nan 4.340 nan 0.000 0.266 381 L C -1.817 175.050 176.870 -0.004 0.000 0.991 381 L CA -3.030 51.804 54.840 -0.009 0.000 0.818 381 L CB 0.427 42.478 42.059 -0.013 0.000 1.321 381 L HN 0.841 8.956 8.230 -0.007 0.110 0.413 382 P HA -0.301 nan 4.420 nan 0.000 0.220 382 P C -0.502 176.799 177.300 0.001 0.000 1.149 382 P CA 2.454 65.553 63.100 -0.001 0.000 0.829 382 P CB -0.529 31.170 31.700 -0.001 0.000 0.772 383 N N -3.561 115.140 118.700 0.002 0.000 2.575 383 N HA -0.077 nan 4.740 nan 0.000 0.192 383 N C 0.947 176.459 175.510 0.004 0.000 1.200 383 N CA 0.100 53.153 53.050 0.005 0.000 0.897 383 N CB -1.474 37.017 38.487 0.007 0.000 0.990 383 N HN -0.623 7.685 8.380 0.000 0.071 0.449 384 G N -3.059 105.742 108.800 0.002 0.000 2.175 384 G HA2 -0.467 nan 3.960 nan 0.000 0.265 384 G HA3 -0.467 nan 3.960 nan 0.000 0.265 384 G C -0.721 174.180 174.900 0.002 0.000 0.979 384 G CA 0.973 46.074 45.100 0.002 0.000 0.663 384 G HN 0.111 8.179 8.290 0.001 0.222 0.533 385 E N -0.431 119.770 120.200 0.002 0.000 2.390 385 E HA 0.391 nan 4.350 nan 0.000 0.249 385 E C -1.720 174.879 176.600 -0.002 0.000 0.981 385 E CA -2.366 54.035 56.400 0.002 0.000 0.860 385 E CB 2.349 32.051 29.700 0.004 0.000 1.278 385 E HN -0.431 7.853 8.360 0.001 0.077 0.416 386 E N -2.041 118.157 120.200 -0.003 0.000 2.343 386 E HA 0.803 nan 4.350 nan 0.000 0.270 386 E C -1.532 175.058 176.600 -0.018 0.000 0.895 386 E CA -1.616 54.778 56.400 -0.010 0.000 0.767 386 E CB 3.333 33.029 29.700 -0.006 0.000 1.248 386 E HN 0.023 8.382 8.360 -0.001 0.000 0.440 387 R N 0.112 120.592 120.500 -0.033 0.000 2.628 387 R HA 0.292 nan 4.340 nan 0.000 0.288 387 R C -1.712 174.534 176.300 -0.089 0.000 0.980 387 R CA -1.398 54.673 56.100 -0.049 0.000 0.891 387 R CB 2.750 33.023 30.300 -0.045 0.000 1.188 387 R HN 0.008 8.257 8.270 -0.035 0.000 0.450 388 I N 1.272 121.766 120.570 -0.126 0.000 2.396 388 I HA 0.181 nan 4.170 nan 0.000 0.292 388 I C -0.760 175.217 176.117 -0.234 0.000 0.999 388 I CA -0.517 60.629 61.300 -0.256 0.000 1.310 388 I CB 0.913 38.715 38.000 -0.329 0.000 1.404 388 I HN 0.019 8.171 8.210 -0.097 0.000 0.496 389 V N 5.436 125.189 119.914 -0.268 0.000 2.419 389 V HA 0.375 nan 4.120 nan 0.000 0.287 389 V C -0.699 175.296 176.094 -0.165 0.000 1.017 389 V CA -1.413 60.785 62.300 -0.170 0.000 0.844 389 V CB 0.780 32.536 31.823 -0.112 0.000 1.011 389 V HN 0.854 8.742 8.190 -0.327 0.107 0.429 390 L N 7.994 129.148 121.223 -0.115 0.000 2.433 390 L HA 0.037 nan 4.340 nan 0.000 0.275 390 L C -0.804 176.055 176.870 -0.019 0.000 1.128 390 L CA 0.319 55.135 54.840 -0.039 0.000 0.875 390 L CB -0.012 42.069 42.059 0.037 0.000 1.171 390 L HN 0.295 8.469 8.230 -0.093 0.000 0.463 391 K N 6.065 126.458 120.400 -0.011 0.000 2.805 391 K HA 0.071 nan 4.320 nan 0.000 0.227 391 K C -1.271 175.324 176.600 -0.009 0.000 1.207 391 K CA -1.248 55.025 56.287 -0.022 0.000 1.153 391 K CB -0.534 31.949 32.500 -0.027 0.000 1.688 391 K HN -0.004 8.126 8.250 0.005 0.124 0.467 392 L N -0.375 120.852 121.223 0.006 0.000 2.467 392 L HA -0.045 nan 4.340 nan 0.000 0.270 392 L C -0.112 176.741 176.870 -0.028 0.000 1.205 392 L CA -0.575 54.273 54.840 0.012 0.000 0.828 392 L CB 0.705 42.795 42.059 0.051 0.000 1.101 392 L HN -0.531 7.655 8.230 0.013 0.052 0.479 393 K N 3.234 123.606 120.400 -0.046 0.000 2.395 393 K HA -0.033 nan 4.320 nan 0.000 0.283 393 K C -0.324 176.210 176.600 -0.109 0.000 1.068 393 K CA -1.357 54.867 56.287 -0.106 0.000 1.039 393 K CB -0.092 32.315 32.500 -0.156 0.000 0.924 393 K HN 0.501 8.733 8.250 -0.029 0.000 0.468 394 P HA -0.358 nan 4.420 nan 0.000 0.225 394 P C 1.436 178.694 177.300 -0.070 0.000 1.154 394 P CA 2.837 65.891 63.100 -0.077 0.000 0.933 394 P CB -0.115 31.546 31.700 -0.066 0.000 0.790 395 Q N -2.110 117.565 119.800 -0.207 0.000 2.443 395 Q HA -0.153 nan 4.340 nan 0.000 0.213 395 Q C 2.069 178.096 176.000 0.045 0.000 0.982 395 Q CA 2.931 58.603 55.803 -0.218 0.000 0.894 395 Q CB -0.822 27.344 28.738 -0.953 0.000 0.947 395 Q HN 0.568 8.649 8.270 -0.306 0.006 0.480 396 L N -5.243 116.001 121.223 0.035 0.000 2.858 396 L HA 0.156 nan 4.340 nan 0.000 0.251 396 L C -0.442 176.504 176.870 0.126 0.000 1.149 396 L CA -1.047 53.874 54.840 0.135 0.000 0.955 396 L CB -0.173 41.956 42.059 0.118 0.000 1.289 396 L HN 0.108 8.111 8.230 -0.039 0.203 0.542 397 A N 1.020 123.897 122.820 0.095 0.000 2.483 397 A HA 0.106 nan 4.320 nan 0.000 0.238 397 A C -1.997 175.667 177.584 0.133 0.000 1.070 397 A CA -1.328 50.778 52.037 0.115 0.000 0.770 397 A CB 0.106 19.154 19.000 0.081 0.000 1.008 397 A HN -0.110 7.948 8.150 0.061 0.128 0.497 398 P HA -0.195 nan 4.420 nan 0.000 0.216 398 P C -1.156 176.200 177.300 0.094 0.000 1.150 398 P CA 2.185 65.347 63.100 0.103 0.000 0.837 398 P CB 0.374 32.097 31.700 0.038 0.000 0.786 399 I N -5.127 115.507 120.570 0.107 0.000 2.498 399 I HA 0.026 nan 4.170 nan 0.000 0.290 399 I C -0.894 175.289 176.117 0.109 0.000 1.032 399 I CA -0.984 60.382 61.300 0.111 0.000 1.073 399 I CB 2.122 40.202 38.000 0.133 0.000 1.251 399 I HN -0.598 7.678 8.210 0.115 0.003 0.426 400 K N 4.942 125.410 120.400 0.114 0.000 1.995 400 K HA 0.072 nan 4.320 nan 0.000 0.207 400 K C -0.807 175.888 176.600 0.159 0.000 1.041 400 K CA 1.858 58.228 56.287 0.139 0.000 0.942 400 K CB 0.793 33.383 32.500 0.149 0.000 0.731 400 K HN 0.300 8.616 8.250 0.111 0.000 0.439 401 V N -3.991 116.001 119.914 0.129 0.000 2.628 401 V HA 0.550 nan 4.120 nan 0.000 0.306 401 V C -1.831 174.273 176.094 0.018 0.000 1.045 401 V CA -1.854 60.509 62.300 0.106 0.000 0.905 401 V CB 2.638 34.522 31.823 0.100 0.000 0.997 401 V HN -0.802 7.455 8.190 0.111 0.000 0.436 402 A N 6.382 129.159 122.820 -0.072 0.000 2.323 402 A HA 0.706 nan 4.320 nan 0.000 0.305 402 A C -1.432 176.076 177.584 -0.128 0.000 1.275 402 A CA -1.704 50.221 52.037 -0.187 0.000 0.804 402 A CB 1.636 20.235 19.000 -0.668 0.000 1.152 402 A HN 0.611 8.731 8.150 -0.051 0.000 0.487 403 V N 6.021 125.902 119.914 -0.056 0.000 2.427 403 V HA 0.145 nan 4.120 nan 0.000 0.268 403 V C -1.061 174.961 176.094 -0.120 0.000 1.046 403 V CA 0.637 62.919 62.300 -0.030 0.000 0.970 403 V CB -0.119 31.741 31.823 0.063 0.000 1.001 403 V HN 0.636 8.815 8.190 -0.019 0.000 0.476 404 I N 7.487 127.988 120.570 -0.116 0.000 2.389 404 I HA 0.414 nan 4.170 nan 0.000 0.288 404 I C -2.241 173.791 176.117 -0.142 0.000 0.999 404 I CA -3.352 57.844 61.300 -0.174 0.000 1.129 404 I CB 3.473 41.374 38.000 -0.164 0.000 1.288 404 I HN 0.969 9.136 8.210 -0.071 0.000 0.444 405 P HA 0.338 nan 4.420 nan 0.000 0.280 405 P C -1.403 175.820 177.300 -0.128 0.000 1.244 405 P CA -0.302 62.736 63.100 -0.103 0.000 0.784 405 P CB 0.738 32.406 31.700 -0.054 0.000 0.913 406 L N 3.480 124.624 121.223 -0.132 0.000 2.072 406 L HA -0.109 nan 4.340 nan 0.000 0.205 406 L C 0.422 177.237 176.870 -0.092 0.000 1.079 406 L CA 1.269 56.039 54.840 -0.116 0.000 0.752 406 L CB 0.600 42.606 42.059 -0.088 0.000 0.906 406 L HN 0.675 8.724 8.230 -0.141 0.096 0.436 407 V N -3.538 116.308 119.914 -0.114 0.000 2.409 407 V HA 0.094 nan 4.120 nan 0.000 0.291 407 V C -0.577 175.473 176.094 -0.073 0.000 1.020 407 V CA -1.305 60.956 62.300 -0.066 0.000 0.848 407 V CB 0.422 32.224 31.823 -0.034 0.000 0.990 407 V HN -0.378 7.705 8.190 -0.179 0.000 0.430 408 K N 4.068 124.445 120.400 -0.038 0.000 2.504 408 K HA -0.120 nan 4.320 nan 0.000 0.195 408 K C 0.137 176.735 176.600 -0.004 0.000 1.036 408 K CA 1.462 57.737 56.287 -0.019 0.000 0.984 408 K CB -0.257 32.238 32.500 -0.009 0.000 0.788 408 K HN 0.369 8.601 8.250 -0.031 0.000 0.488 409 N N -2.114 116.583 118.700 -0.005 0.000 2.085 409 N HA -0.200 nan 4.740 nan 0.000 0.191 409 N C 0.125 175.637 175.510 0.003 0.000 1.058 409 N CA 1.141 54.198 53.050 0.012 0.000 0.849 409 N CB -0.645 37.863 38.487 0.035 0.000 1.038 409 N HN -0.333 7.973 8.380 -0.008 0.070 0.434 410 R N 1.537 122.026 120.500 -0.018 0.000 2.936 410 R HA 0.062 nan 4.340 nan 0.000 0.361 410 R C -0.310 175.968 176.300 -0.037 0.000 0.873 410 R CA -1.881 54.196 56.100 -0.037 0.000 1.041 410 R CB -1.041 29.159 30.300 -0.168 0.000 0.924 410 R HN 0.290 8.544 8.270 -0.027 0.000 0.401 411 P HA -0.055 nan 4.420 nan 0.000 0.222 411 P C 1.125 178.432 177.300 0.013 0.000 1.147 411 P CA 2.305 65.410 63.100 0.010 0.000 0.790 411 P CB 0.091 31.800 31.700 0.014 0.000 0.780 412 E N -1.903 118.305 120.200 0.013 0.000 2.152 412 E HA -0.176 nan 4.350 nan 0.000 0.192 412 E C 2.211 178.838 176.600 0.045 0.000 0.983 412 E CA 2.846 59.265 56.400 0.033 0.000 0.818 412 E CB -0.775 28.950 29.700 0.043 0.000 0.758 412 E HN 0.721 9.045 8.360 0.009 0.041 0.467 413 I N -0.565 119.991 120.570 -0.024 0.000 2.141 413 I HA -0.427 nan 4.170 nan 0.000 0.236 413 I C 1.531 177.681 176.117 0.056 0.000 1.071 413 I CA 3.725 64.992 61.300 -0.054 0.000 1.345 413 I CB 0.036 37.896 38.000 -0.233 0.000 1.066 413 I HN -0.375 7.662 8.210 -0.059 0.137 0.406 414 T N -0.459 114.124 114.554 0.048 0.000 2.653 414 T HA -0.492 nan 4.350 nan 0.000 0.268 414 T C 1.817 176.583 174.700 0.111 0.000 1.035 414 T CA 4.666 66.849 62.100 0.138 0.000 1.154 414 T CB -0.922 68.029 68.868 0.139 0.000 0.862 414 T HN -0.186 8.055 8.240 0.002 0.000 0.441 415 E N 1.422 121.650 120.200 0.047 0.000 2.058 415 E HA -0.389 nan 4.350 nan 0.000 0.194 415 E C 1.674 178.279 176.600 0.009 0.000 0.997 415 E CA 3.569 59.965 56.400 -0.007 0.000 0.801 415 E CB -0.545 29.151 29.700 -0.007 0.000 0.746 415 E HN -0.311 8.074 8.360 0.043 0.000 0.450 416 Y N 0.144 120.431 120.300 -0.022 0.000 2.128 416 Y HA -0.433 nan 4.550 nan 0.000 0.284 416 Y C 1.528 177.429 175.900 0.002 0.000 1.154 416 Y CA 2.846 60.934 58.100 -0.019 0.000 1.149 416 Y CB -0.365 38.079 38.460 -0.027 0.000 0.976 416 Y HN -0.803 7.509 8.280 0.184 0.078 0.505 417 A N -1.551 121.453 122.820 0.307 0.000 1.834 417 A HA -0.481 nan 4.320 nan 0.000 0.216 417 A C 1.932 179.647 177.584 0.218 0.000 1.203 417 A CA 3.278 55.498 52.037 0.305 0.000 0.621 417 A CB -0.805 18.431 19.000 0.392 0.000 0.841 417 A HN 0.332 8.570 8.150 0.284 0.082 0.446 418 K N -1.948 118.478 120.400 0.045 0.000 2.173 418 K HA -0.420 nan 4.320 nan 0.000 0.207 418 K C 2.643 179.170 176.600 -0.121 0.000 1.046 418 K CA 3.410 59.538 56.287 -0.266 0.000 0.929 418 K CB -0.209 31.980 32.500 -0.519 0.000 0.720 418 K HN 0.072 8.358 8.250 0.059 0.000 0.453 419 R N -1.640 118.795 120.500 -0.109 0.000 2.073 419 R HA -0.246 nan 4.340 nan 0.000 0.229 419 R C 2.154 178.382 176.300 -0.120 0.000 1.120 419 R CA 3.078 59.090 56.100 -0.147 0.000 0.967 419 R CB -0.098 30.054 30.300 -0.246 0.000 0.862 419 R HN -0.101 7.998 8.270 -0.090 0.117 0.436 420 L N -0.575 120.603 121.223 -0.076 0.000 2.027 420 L HA -0.278 nan 4.340 nan 0.000 0.206 420 L C 0.884 177.763 176.870 0.015 0.000 1.074 420 L CA 2.868 57.697 54.840 -0.018 0.000 0.745 420 L CB -0.440 41.670 42.059 0.085 0.000 0.898 420 L HN -0.229 7.873 8.230 -0.044 0.101 0.433 421 K N -0.732 119.701 120.400 0.054 0.000 2.077 421 K HA -0.550 nan 4.320 nan 0.000 0.213 421 K C 1.765 178.383 176.600 0.030 0.000 1.051 421 K CA 3.657 59.984 56.287 0.067 0.000 0.929 421 K CB -0.265 32.302 32.500 0.111 0.000 0.715 421 K HN -0.093 8.207 8.250 0.083 0.000 0.451 422 A N -1.794 121.025 122.820 -0.001 0.000 1.851 422 A HA -0.334 nan 4.320 nan 0.000 0.216 422 A C 1.975 179.555 177.584 -0.006 0.000 1.195 422 A CA 3.129 55.159 52.037 -0.011 0.000 0.622 422 A CB -1.041 17.937 19.000 -0.036 0.000 0.831 422 A HN -0.585 7.555 8.150 -0.016 -0.000 0.444 423 R N -1.394 119.095 120.500 -0.018 0.000 2.103 423 R HA -0.336 nan 4.340 nan 0.000 0.242 423 R C 2.588 178.891 176.300 0.005 0.000 1.142 423 R CA 3.049 59.141 56.100 -0.013 0.000 0.960 423 R CB -0.068 30.215 30.300 -0.027 0.000 0.858 423 R HN -0.772 7.478 8.270 -0.033 0.000 0.439 424 L N -2.431 118.799 121.223 0.012 0.000 2.072 424 L HA -0.249 nan 4.340 nan 0.000 0.205 424 L C 2.767 179.658 176.870 0.035 0.000 1.079 424 L CA 2.586 57.440 54.840 0.023 0.000 0.752 424 L CB 0.014 42.089 42.059 0.026 0.000 0.906 424 L HN -0.070 8.154 8.230 0.010 0.012 0.436 425 L N 0.352 121.597 121.223 0.037 0.000 2.079 425 L HA -0.359 nan 4.340 nan 0.000 0.210 425 L C 1.737 178.631 176.870 0.040 0.000 1.081 425 L CA 2.587 57.453 54.840 0.044 0.000 0.752 425 L CB -1.113 40.969 42.059 0.040 0.000 0.896 425 L HN 0.216 8.465 8.230 0.032 0.000 0.433 426 A N -1.569 121.268 122.820 0.029 0.000 1.986 426 A HA -0.266 nan 4.320 nan 0.000 0.220 426 A C 1.384 178.989 177.584 0.035 0.000 1.171 426 A CA 2.645 54.698 52.037 0.027 0.000 0.640 426 A CB -0.638 18.371 19.000 0.016 0.000 0.811 426 A HN -0.172 7.981 8.150 0.023 0.010 0.451 427 L N -4.738 116.508 121.223 0.039 0.000 2.265 427 L HA -0.228 nan 4.340 nan 0.000 0.215 427 L C 1.121 178.027 176.870 0.060 0.000 1.117 427 L CA 0.555 55.423 54.840 0.047 0.000 0.782 427 L CB 0.079 42.166 42.059 0.047 0.000 0.914 427 L HN -0.538 7.570 8.230 0.036 0.144 0.441 428 G N -1.484 107.354 108.800 0.063 0.000 2.246 428 G HA2 -0.332 nan 3.960 nan 0.000 0.273 428 G HA3 -0.332 nan 3.960 nan 0.000 0.273 428 G C 0.300 175.261 174.900 0.102 0.000 1.055 428 G CA 1.178 46.324 45.100 0.077 0.000 0.851 428 G HN 0.201 8.360 8.290 0.057 0.165 0.500 429 L N -2.741 118.543 121.223 0.102 0.000 2.509 429 L HA 0.060 nan 4.340 nan 0.000 0.222 429 L C -0.468 176.488 176.870 0.145 0.000 1.123 429 L CA -0.281 54.634 54.840 0.125 0.000 0.856 429 L CB 0.066 42.188 42.059 0.105 0.000 0.985 429 L HN -0.055 8.212 8.230 0.087 0.015 0.456 430 G N -3.986 104.890 108.800 0.126 0.000 2.361 430 G HA2 -0.143 nan 3.960 nan 0.000 0.331 430 G HA3 -0.143 nan 3.960 nan 0.000 0.331 430 G C -2.263 172.701 174.900 0.106 0.000 1.324 430 G CA -1.096 44.082 45.100 0.131 0.000 0.984 430 G HN -0.762 7.541 8.290 0.108 0.052 0.586 431 R N -1.061 119.500 120.500 0.102 0.000 2.585 431 R HA -0.080 nan 4.340 nan 0.000 0.275 431 R C -0.640 175.714 176.300 0.089 0.000 1.018 431 R CA 0.888 57.041 56.100 0.089 0.000 1.072 431 R CB 0.765 31.116 30.300 0.085 0.000 0.953 431 R HN 0.151 8.488 8.270 0.111 0.000 0.419 432 V N 5.024 124.987 119.914 0.081 0.000 2.815 432 V HA 0.618 nan 4.120 nan 0.000 0.314 432 V C -1.113 175.032 176.094 0.085 0.000 1.064 432 V CA -1.432 60.915 62.300 0.078 0.000 0.952 432 V CB 2.315 34.180 31.823 0.070 0.000 1.020 432 V HN -0.115 8.120 8.190 0.076 0.000 0.439 433 L N 3.669 124.941 121.223 0.081 0.000 2.386 433 L HA 0.526 nan 4.340 nan 0.000 0.271 433 L C -2.343 174.592 176.870 0.109 0.000 0.993 433 L CA -0.919 53.983 54.840 0.103 0.000 0.819 433 L CB 4.923 47.050 42.059 0.114 0.000 1.294 433 L HN 0.688 8.952 8.230 0.057 0.000 0.414 434 Y N 6.218 126.540 120.300 0.036 0.000 2.714 434 Y HA 0.102 nan 4.550 nan 0.000 0.333 434 Y C -1.732 174.193 175.900 0.042 0.000 1.220 434 Y CA -2.079 56.038 58.100 0.027 0.000 1.513 434 Y CB -0.244 38.227 38.460 0.019 0.000 1.435 434 Y HN 0.279 8.708 8.280 0.247 0.000 0.489 435 E N 6.404 126.441 120.200 -0.272 0.000 2.299 435 E HA -0.155 nan 4.350 nan 0.000 0.272 435 E C -0.322 176.034 176.600 -0.407 0.000 1.043 435 E CA -0.114 56.173 56.400 -0.189 0.000 0.895 435 E CB 0.876 30.619 29.700 0.072 0.000 1.011 435 E HN -0.519 7.727 8.360 -0.190 0.000 0.432 436 D N 3.341 123.554 120.400 -0.311 0.000 2.479 436 D HA 0.082 nan 4.640 nan 0.000 0.218 436 D C -0.664 175.572 176.300 -0.107 0.000 1.177 436 D CA -0.381 53.460 54.000 -0.264 0.000 0.830 436 D CB 0.336 41.058 40.800 -0.129 0.000 1.014 436 D HN -0.122 8.146 8.370 -0.171 0.000 0.503 437 T N 1.690 116.198 114.554 -0.077 0.000 2.779 437 T HA 0.137 nan 4.350 nan 0.000 0.296 437 T C 1.233 175.904 174.700 -0.048 0.000 0.938 437 T CA 0.905 62.979 62.100 -0.043 0.000 1.119 437 T CB -0.242 68.610 68.868 -0.027 0.000 0.891 437 T HN -0.521 7.610 8.240 -0.079 0.062 0.526 438 G N 5.478 114.256 108.800 -0.036 0.000 2.774 438 G HA2 -0.530 nan 3.960 nan 0.000 0.760 438 G HA3 -0.530 nan 3.960 nan 0.000 0.760 438 G C -0.547 174.323 174.900 -0.050 0.000 1.114 438 G CA 0.531 45.610 45.100 -0.034 0.000 0.849 438 G HN 0.139 8.414 8.290 -0.026 0.000 0.796 439 N N 1.932 120.607 118.700 -0.041 0.000 2.365 439 N HA -0.179 nan 4.740 nan 0.000 0.265 439 N C 0.861 176.321 175.510 -0.084 0.000 1.288 439 N CA -0.133 52.887 53.050 -0.050 0.000 0.869 439 N CB 0.433 38.903 38.487 -0.028 0.000 1.071 439 N HN -0.159 8.204 8.380 -0.029 0.000 0.480 440 I N 7.347 127.836 120.570 -0.136 0.000 2.361 440 I HA -0.255 nan 4.170 nan 0.000 0.251 440 I C 0.861 176.816 176.117 -0.270 0.000 1.133 440 I CA 1.922 63.059 61.300 -0.272 0.000 1.413 440 I CB -0.044 37.738 38.000 -0.362 0.000 1.073 440 I HN 0.555 8.695 8.210 -0.117 0.000 0.424 441 G N -1.745 106.989 108.800 -0.111 0.000 2.422 441 G HA2 -0.305 nan 3.960 nan 0.000 0.218 441 G HA3 -0.305 nan 3.960 nan 0.000 0.218 441 G C 1.276 176.204 174.900 0.046 0.000 1.146 441 G CA 2.072 47.180 45.100 0.014 0.000 0.769 441 G HN 0.327 8.614 8.290 -0.092 -0.052 0.547 442 K N 2.293 122.694 120.400 0.003 0.000 2.062 442 K HA -0.161 nan 4.320 nan 0.000 0.205 442 K C 1.774 178.390 176.600 0.028 0.000 1.051 442 K CA 2.405 58.700 56.287 0.013 0.000 0.941 442 K CB -0.108 32.388 32.500 -0.007 0.000 0.719 442 K HN -0.320 7.996 8.250 -0.025 -0.081 0.440 443 A N -0.033 122.791 122.820 0.006 0.000 1.851 443 A HA -0.282 nan 4.320 nan 0.000 0.216 443 A C 2.188 179.915 177.584 0.239 0.000 1.195 443 A CA 3.290 55.368 52.037 0.069 0.000 0.622 443 A CB -1.051 17.944 19.000 -0.008 0.000 0.831 443 A HN 0.348 8.283 8.150 -0.044 0.188 0.444 444 Y N -1.232 119.127 120.300 0.099 0.000 2.030 444 Y HA -0.444 nan 4.550 nan 0.000 0.272 444 Y C 2.392 178.340 175.900 0.080 0.000 1.185 444 Y CA 1.809 59.965 58.100 0.092 0.000 1.120 444 Y CB -0.934 37.550 38.460 0.040 0.000 0.955 444 Y HN 0.324 8.510 8.280 0.030 0.111 0.495 445 R N -1.720 118.911 120.500 0.219 0.000 2.103 445 R HA -0.424 nan 4.340 nan 0.000 0.234 445 R C 2.027 178.356 176.300 0.048 0.000 1.132 445 R CA 2.147 58.306 56.100 0.098 0.000 0.925 445 R CB -0.672 29.665 30.300 0.061 0.000 0.842 445 R HN -0.453 7.953 8.270 0.227 0.000 0.430 446 R N -1.537 118.964 120.500 0.001 0.000 2.159 446 R HA -0.399 nan 4.340 nan 0.000 0.252 446 R C 2.908 179.105 176.300 -0.171 0.000 1.144 446 R CA 3.155 59.189 56.100 -0.110 0.000 0.961 446 R CB -0.433 29.745 30.300 -0.203 0.000 0.877 446 R HN 0.215 8.498 8.270 0.021 0.000 0.444 447 H N -2.903 116.198 119.070 0.050 0.000 2.389 447 H HA -0.147 nan 4.556 nan 0.000 0.299 447 H C 2.251 177.593 175.328 0.023 0.000 1.081 447 H CA 3.826 59.900 56.048 0.043 0.000 1.345 447 H CB -0.424 29.373 29.762 0.060 0.000 1.393 447 H HN -0.183 8.109 8.280 0.035 0.009 0.520 448 D N -0.237 120.219 120.400 0.093 0.000 2.183 448 D HA -0.156 nan 4.640 nan 0.000 0.203 448 D C 2.175 178.478 176.300 0.005 0.000 0.969 448 D CA 3.180 57.194 54.000 0.023 0.000 0.842 448 D CB -0.659 40.131 40.800 -0.017 0.000 0.957 448 D HN -0.235 8.109 8.370 0.104 0.088 0.484 449 E N -2.076 118.128 120.200 0.005 0.000 2.204 449 E HA -0.221 nan 4.350 nan 0.000 0.194 449 E C 0.726 177.383 176.600 0.094 0.000 0.989 449 E CA 3.042 59.446 56.400 0.006 0.000 0.824 449 E CB 0.136 29.841 29.700 0.007 0.000 0.756 449 E HN -0.195 8.158 8.360 0.009 0.013 0.477 450 V N -9.853 110.126 119.914 0.108 0.000 3.271 450 V HA 0.423 nan 4.120 nan 0.000 0.327 450 V C 0.034 176.246 176.094 0.196 0.000 1.389 450 V CA -2.686 59.738 62.300 0.207 0.000 1.156 450 V CB -1.308 30.547 31.823 0.054 0.000 1.103 450 V HN -0.500 7.586 8.190 0.056 0.138 0.453 451 G N 0.379 109.253 108.800 0.124 0.000 2.390 451 G HA2 -0.439 nan 3.960 nan 0.000 0.299 451 G HA3 -0.439 nan 3.960 nan 0.000 0.299 451 G C -0.740 174.201 174.900 0.068 0.000 1.002 451 G CA 1.132 46.279 45.100 0.078 0.000 0.979 451 G HN -0.318 7.808 8.290 0.089 0.218 0.513 452 T N -1.935 112.673 114.554 0.090 0.000 2.832 452 T HA 0.264 nan 4.350 nan 0.000 0.296 452 T C -0.389 174.283 174.700 -0.047 0.000 0.968 452 T CA -3.107 59.035 62.100 0.069 0.000 1.107 452 T CB 0.836 69.796 68.868 0.153 0.000 0.916 452 T HN -0.549 7.767 8.240 0.127 0.000 0.517 453 P HA -0.079 nan 4.420 nan 0.000 0.217 453 P C -1.323 175.498 177.300 -0.799 0.000 1.150 453 P CA 1.803 64.636 63.100 -0.445 0.000 0.832 453 P CB 0.696 32.164 31.700 -0.387 0.000 0.787 454 F N -3.001 116.955 119.950 0.010 0.000 2.573 454 F HA 0.303 nan 4.527 nan 0.000 0.316 454 F C -2.510 173.260 175.800 -0.051 0.000 1.148 454 F CA -1.218 56.777 58.000 -0.007 0.000 0.940 454 F CB 3.375 42.387 39.000 0.021 0.000 1.214 454 F HN -0.396 7.945 8.300 0.069 0.000 0.448 455 A N 4.465 127.359 122.820 0.122 0.000 2.316 455 A HA 0.632 nan 4.320 nan 0.000 0.324 455 A C -2.005 175.635 177.584 0.095 0.000 1.375 455 A CA -1.429 50.645 52.037 0.061 0.000 0.882 455 A CB 0.525 19.600 19.000 0.125 0.000 1.152 455 A HN 0.492 8.719 8.150 0.128 0.000 0.512 456 V N 5.454 125.390 119.914 0.036 0.000 2.406 456 V HA 0.387 nan 4.120 nan 0.000 0.272 456 V C -0.934 175.163 176.094 0.005 0.000 1.043 456 V CA -0.507 61.796 62.300 0.005 0.000 0.915 456 V CB 0.190 31.997 31.823 -0.027 0.000 0.988 456 V HN -0.074 8.125 8.190 0.014 0.000 0.466 457 T N 9.161 123.721 114.554 0.011 0.000 2.824 457 T HA 0.647 nan 4.350 nan 0.000 0.280 457 T C -1.608 173.060 174.700 -0.053 0.000 0.995 457 T CA -1.517 60.568 62.100 -0.026 0.000 1.009 457 T CB 2.039 70.889 68.868 -0.030 0.000 0.955 457 T HN 0.664 8.918 8.240 0.023 0.000 0.452 458 V N 8.271 128.141 119.914 -0.073 0.000 2.347 458 V HA 0.698 nan 4.120 nan 0.000 0.280 458 V C -1.470 174.541 176.094 -0.139 0.000 1.021 458 V CA -1.616 60.616 62.300 -0.114 0.000 0.847 458 V CB 0.823 32.593 31.823 -0.089 0.000 0.990 458 V HN 1.020 9.046 8.190 -0.074 0.119 0.444 459 D N 6.463 126.779 120.400 -0.139 0.000 2.616 459 D HA 0.287 nan 4.640 nan 0.000 0.260 459 D C 0.291 176.509 176.300 -0.138 0.000 1.158 459 D CA -1.589 52.344 54.000 -0.111 0.000 1.085 459 D CB 1.593 42.389 40.800 -0.007 0.000 1.222 459 D HN -0.287 8.000 8.370 -0.138 0.000 0.626 460 Y N -1.590 118.665 120.300 -0.075 0.000 2.089 460 Y HA -0.456 nan 4.550 nan 0.000 0.282 460 Y C 1.947 177.794 175.900 -0.088 0.000 1.139 460 Y CA 4.002 62.060 58.100 -0.070 0.000 1.123 460 Y CB -0.313 38.122 38.460 -0.042 0.000 0.980 460 Y HN 0.121 8.535 8.280 0.224 0.000 0.493 461 D N -2.939 117.529 120.400 0.115 0.000 2.200 461 D HA -0.362 nan 4.640 nan 0.000 0.192 461 D C 1.814 178.086 176.300 -0.046 0.000 1.008 461 D CA 3.659 57.675 54.000 0.027 0.000 0.872 461 D CB -0.569 40.240 40.800 0.014 0.000 0.923 461 D HN 0.222 8.708 8.370 0.159 -0.021 0.447 462 T N -0.320 114.157 114.554 -0.129 0.000 2.684 462 T HA -0.220 nan 4.350 nan 0.000 0.267 462 T C 2.278 176.785 174.700 -0.322 0.000 1.036 462 T CA 3.201 65.138 62.100 -0.272 0.000 1.148 462 T CB -0.198 68.389 68.868 -0.468 0.000 0.863 462 T HN -0.478 7.897 8.240 -0.114 -0.204 0.436 463 I N -1.997 118.393 120.570 -0.300 0.000 2.163 463 I HA -0.318 nan 4.170 nan 0.000 0.240 463 I C 0.825 176.939 176.117 -0.005 0.000 1.081 463 I CA 2.486 63.690 61.300 -0.160 0.000 1.353 463 I CB 0.235 38.190 38.000 -0.075 0.000 1.054 463 I HN -0.276 7.698 8.210 -0.259 0.080 0.407 464 G N -4.022 104.790 108.800 0.020 0.000 2.731 464 G HA2 -0.151 nan 3.960 nan 0.000 0.219 464 G HA3 -0.151 nan 3.960 nan 0.000 0.219 464 G C -1.201 173.733 174.900 0.058 0.000 0.989 464 G CA -0.482 44.643 45.100 0.042 0.000 0.871 464 G HN -0.652 7.652 8.290 0.023 0.000 0.591 465 Q N 1.623 121.478 119.800 0.091 0.000 2.788 465 Q HA 0.179 nan 4.340 nan 0.000 0.261 465 Q C -1.748 174.284 176.000 0.054 0.000 1.029 465 Q CA -1.579 54.282 55.803 0.096 0.000 0.848 465 Q CB 0.637 29.500 28.738 0.208 0.000 1.185 465 Q HN -0.560 7.774 8.270 0.106 0.000 0.482 466 S N 2.369 118.078 115.700 0.015 0.000 2.433 466 S HA 0.315 nan 4.470 nan 0.000 0.310 466 S C 0.917 175.494 174.600 -0.038 0.000 1.097 466 S CA -1.602 56.593 58.200 -0.009 0.000 1.103 466 S CB 1.757 64.960 63.200 0.005 0.000 0.992 466 S HN 0.073 8.394 8.310 0.018 0.000 0.469 467 K N 6.103 126.461 120.400 -0.070 0.000 2.089 467 K HA -0.318 nan 4.320 nan 0.000 0.210 467 K C -0.026 176.551 176.600 -0.038 0.000 1.048 467 K CA 2.636 58.882 56.287 -0.068 0.000 0.926 467 K CB -0.957 31.495 32.500 -0.080 0.000 0.714 467 K HN 0.720 8.916 8.250 -0.090 0.000 0.448 468 D N -2.526 117.859 120.400 -0.026 0.000 2.338 468 D HA -0.081 nan 4.640 nan 0.000 0.239 468 D C 1.407 177.701 176.300 -0.009 0.000 1.095 468 D CA -0.404 53.587 54.000 -0.015 0.000 0.888 468 D CB -0.605 40.189 40.800 -0.010 0.000 0.899 468 D HN -0.568 7.780 8.370 -0.027 0.006 0.525 469 G N 1.600 110.394 108.800 -0.010 0.000 2.934 469 G HA2 -0.520 nan 3.960 nan 0.000 0.231 469 G HA3 -0.520 nan 3.960 nan 0.000 0.231 469 G C 0.034 174.937 174.900 0.005 0.000 1.235 469 G CA 1.395 46.494 45.100 -0.002 0.000 0.812 469 G HN 0.428 8.486 8.290 -0.017 0.222 0.521 470 T N -0.116 114.441 114.554 0.005 0.000 2.849 470 T HA -0.101 nan 4.350 nan 0.000 0.289 470 T C 0.834 175.542 174.700 0.015 0.000 1.010 470 T CA 0.307 62.413 62.100 0.009 0.000 1.161 470 T CB 0.297 69.170 68.868 0.008 0.000 0.989 470 T HN -0.195 7.941 8.240 0.002 0.105 0.523 471 T N 1.345 115.911 114.554 0.019 0.000 3.418 471 T HA 0.162 nan 4.350 nan 0.000 0.239 471 T C 1.349 176.067 174.700 0.030 0.000 0.905 471 T CA -0.769 61.346 62.100 0.026 0.000 0.929 471 T CB -1.357 67.529 68.868 0.031 0.000 1.121 471 T HN 0.226 8.477 8.240 0.018 0.000 0.608 472 R N 1.820 122.334 120.500 0.024 0.000 2.090 472 R HA -0.091 nan 4.340 nan 0.000 0.228 472 R C 0.176 176.497 176.300 0.035 0.000 1.110 472 R CA 2.097 58.212 56.100 0.025 0.000 0.973 472 R CB 0.106 30.416 30.300 0.018 0.000 0.869 472 R HN -0.115 8.036 8.270 0.019 0.131 0.440 473 L N -2.899 118.343 121.223 0.032 0.000 3.066 473 L HA 0.271 nan 4.340 nan 0.000 0.265 473 L C -1.901 174.987 176.870 0.030 0.000 1.232 473 L CA -1.743 53.119 54.840 0.036 0.000 1.031 473 L CB 0.248 42.318 42.059 0.018 0.000 1.379 473 L HN -0.186 8.059 8.230 0.024 0.000 0.563 474 K N 0.587 121.012 120.400 0.042 0.000 2.447 474 K HA -0.377 nan 4.320 nan 0.000 0.281 474 K C -0.326 176.301 176.600 0.044 0.000 1.031 474 K CA 1.532 57.836 56.287 0.028 0.000 1.019 474 K CB -0.109 32.423 32.500 0.053 0.000 0.918 474 K HN -0.791 7.420 8.250 0.050 0.069 0.476 475 D N 2.111 122.476 120.400 -0.060 0.000 3.051 475 D HA -0.337 nan 4.640 nan 0.000 0.218 475 D C -1.414 174.705 176.300 -0.302 0.000 1.129 475 D CA 1.490 55.402 54.000 -0.147 0.000 0.868 475 D CB -1.415 39.311 40.800 -0.123 0.000 1.100 475 D HN 0.365 8.536 8.370 -0.124 0.125 0.429 476 T N -7.897 106.570 114.554 -0.144 0.000 2.824 476 T HA 0.783 nan 4.350 nan 0.000 0.282 476 T C -1.024 173.614 174.700 -0.104 0.000 0.993 476 T CA -1.798 60.248 62.100 -0.089 0.000 0.967 476 T CB 2.639 71.525 68.868 0.029 0.000 0.960 476 T HN -0.593 7.580 8.240 -0.110 0.000 0.441 477 V N -0.696 119.157 119.914 -0.102 0.000 3.019 477 V HA 0.750 nan 4.120 nan 0.000 0.317 477 V C -1.002 175.048 176.094 -0.073 0.000 1.094 477 V CA -3.331 58.913 62.300 -0.093 0.000 1.000 477 V CB 2.581 34.348 31.823 -0.093 0.000 1.060 477 V HN 0.998 9.044 8.190 -0.105 0.081 0.443 478 T N 0.591 115.116 114.554 -0.048 0.000 2.744 478 T HA 0.356 nan 4.350 nan 0.000 0.291 478 T C -1.408 173.279 174.700 -0.021 0.000 0.957 478 T CA -1.253 60.833 62.100 -0.023 0.000 1.002 478 T CB -0.338 68.540 68.868 0.017 0.000 0.919 478 T HN -0.056 8.157 8.240 -0.045 0.000 0.468 479 V N 6.184 126.060 119.914 -0.063 0.000 2.293 479 V HA 0.538 nan 4.120 nan 0.000 0.275 479 V C -2.008 174.103 176.094 0.028 0.000 1.021 479 V CA -2.519 59.746 62.300 -0.058 0.000 0.815 479 V CB 0.995 32.654 31.823 -0.274 0.000 1.025 479 V HN 0.341 8.482 8.190 -0.081 0.000 0.448 480 R N 9.498 130.024 120.500 0.044 0.000 2.298 480 R HA 0.234 nan 4.340 nan 0.000 0.310 480 R C -1.527 174.770 176.300 -0.004 0.000 1.068 480 R CA -0.328 55.750 56.100 -0.038 0.000 0.957 480 R CB 1.398 31.535 30.300 -0.272 0.000 1.003 480 R HN 0.260 8.573 8.270 0.072 0.000 0.454 481 D N 7.104 127.516 120.400 0.020 0.000 2.277 481 D HA 0.161 nan 4.640 nan 0.000 0.249 481 D C -0.295 175.915 176.300 -0.150 0.000 1.134 481 D CA -1.145 52.839 54.000 -0.026 0.000 0.863 481 D CB 2.343 43.202 40.800 0.099 0.000 1.143 481 D HN 0.090 8.474 8.370 0.023 0.000 0.458 482 R N 5.776 126.132 120.500 -0.241 0.000 2.148 482 R HA -0.503 nan 4.340 nan 0.000 0.230 482 R C 2.101 178.317 176.300 -0.140 0.000 1.120 482 R CA 3.802 59.788 56.100 -0.190 0.000 0.902 482 R CB -0.050 30.127 30.300 -0.205 0.000 0.839 482 R HN -0.199 7.848 8.270 -0.373 0.000 0.431 483 D N -2.400 117.920 120.400 -0.134 0.000 2.092 483 D HA -0.206 nan 4.640 nan 0.000 0.193 483 D C 1.881 178.140 176.300 -0.068 0.000 0.994 483 D CA 2.933 56.878 54.000 -0.091 0.000 0.828 483 D CB -0.429 40.322 40.800 -0.082 0.000 0.963 483 D HN 0.019 8.348 8.370 -0.171 -0.061 0.450 484 T N -6.552 107.968 114.554 -0.057 0.000 3.088 484 T HA -0.045 nan 4.350 nan 0.000 0.259 484 T C 1.277 175.950 174.700 -0.044 0.000 1.122 484 T CA 0.185 62.263 62.100 -0.035 0.000 1.095 484 T CB 0.075 68.938 68.868 -0.008 0.000 0.930 484 T HN -0.739 7.655 8.240 -0.061 -0.190 0.508 485 M N -2.595 116.961 119.600 -0.073 0.000 2.835 485 M HA -0.470 nan 4.480 nan 0.000 0.177 485 M C -0.749 175.506 176.300 -0.075 0.000 0.640 485 M CA 1.771 57.011 55.300 -0.101 0.000 0.635 485 M CB -1.771 30.776 32.600 -0.089 0.000 2.307 485 M HN -0.143 7.943 8.290 -0.087 0.152 0.400 486 E N -0.940 119.242 120.200 -0.031 0.000 2.383 486 E HA -0.133 nan 4.350 nan 0.000 0.264 486 E C -0.868 175.736 176.600 0.007 0.000 1.050 486 E CA 0.281 56.683 56.400 0.003 0.000 0.896 486 E CB 1.165 30.889 29.700 0.041 0.000 0.982 486 E HN -0.912 7.354 8.360 -0.023 0.080 0.424 487 Q N 2.823 122.633 119.800 0.017 0.000 2.394 487 Q HA 0.349 nan 4.340 nan 0.000 0.261 487 Q C -0.896 175.126 176.000 0.037 0.000 1.023 487 Q CA -1.000 54.817 55.803 0.023 0.000 0.720 487 Q CB 1.053 29.805 28.738 0.023 0.000 1.241 487 Q HN 0.340 8.621 8.270 0.019 0.000 0.483 488 I N 4.300 124.896 120.570 0.044 0.000 2.970 488 I HA 0.240 nan 4.170 nan 0.000 0.310 488 I C -1.135 174.984 176.117 0.003 0.000 1.010 488 I CA -1.190 60.135 61.300 0.041 0.000 1.228 488 I CB 1.623 39.666 38.000 0.072 0.000 1.433 488 I HN -0.109 8.131 8.210 0.049 0.000 0.573 489 R N 2.188 122.691 120.500 0.004 0.000 2.467 489 R HA 0.609 nan 4.340 nan 0.000 0.299 489 R C -1.380 174.916 176.300 -0.007 0.000 1.120 489 R CA -0.649 55.445 56.100 -0.011 0.000 0.940 489 R CB 0.369 30.672 30.300 0.005 0.000 1.161 489 R HN 0.125 8.409 8.270 0.022 0.000 0.506 490 L N 0.986 122.182 121.223 -0.044 0.000 2.319 490 L HA 0.489 nan 4.340 nan 0.000 0.267 490 L C -1.670 175.207 176.870 0.011 0.000 1.011 490 L CA -2.302 52.533 54.840 -0.008 0.000 0.818 490 L CB 2.319 44.360 42.059 -0.030 0.000 1.316 490 L HN 0.395 8.570 8.230 -0.093 0.000 0.432 491 H N 0.596 119.653 119.070 -0.023 0.000 2.764 491 H HA -0.077 nan 4.556 nan 0.000 0.341 491 H C 1.485 176.809 175.328 -0.007 0.000 1.072 491 H CA 1.762 57.805 56.048 -0.008 0.000 1.444 491 H CB 1.479 31.245 29.762 0.008 0.000 1.458 491 H HN 0.179 8.565 8.280 0.177 0.000 0.572 492 V N 7.996 127.647 119.914 -0.438 0.000 2.242 492 V HA -0.609 nan 4.120 nan 0.000 0.257 492 V C 2.157 178.237 176.094 -0.024 0.000 1.073 492 V CA 4.700 66.864 62.300 -0.226 0.000 1.058 492 V CB -0.410 31.252 31.823 -0.268 0.000 0.664 492 V HN 0.923 8.594 8.190 -0.673 0.115 0.451 493 D N -2.156 118.335 120.400 0.151 0.000 2.263 493 D HA -0.217 nan 4.640 nan 0.000 0.208 493 D C 2.411 178.793 176.300 0.138 0.000 0.971 493 D CA 2.860 56.970 54.000 0.184 0.000 0.867 493 D CB -0.591 40.361 40.800 0.254 0.000 0.929 493 D HN -0.312 8.188 8.370 0.216 0.000 0.492 494 E N -0.818 119.473 120.200 0.152 0.000 2.230 494 E HA -0.070 nan 4.350 nan 0.000 0.192 494 E C 1.895 178.548 176.600 0.087 0.000 0.987 494 E CA 2.138 58.608 56.400 0.116 0.000 0.841 494 E CB 0.174 29.949 29.700 0.125 0.000 0.783 494 E HN 0.227 8.562 8.360 0.211 0.152 0.481 495 L N -0.248 120.978 121.223 0.004 0.000 2.187 495 L HA -0.325 nan 4.340 nan 0.000 0.213 495 L C 1.565 178.431 176.870 -0.007 0.000 1.100 495 L CA 2.741 57.527 54.840 -0.090 0.000 0.765 495 L CB -0.422 41.548 42.059 -0.148 0.000 0.904 495 L HN -0.370 7.753 8.230 0.006 0.109 0.437 496 E N -1.016 119.201 120.200 0.029 0.000 2.006 496 E HA -0.354 nan 4.350 nan 0.000 0.192 496 E C 2.248 178.886 176.600 0.064 0.000 0.993 496 E CA 3.256 59.679 56.400 0.038 0.000 0.808 496 E CB -0.582 29.141 29.700 0.038 0.000 0.764 496 E HN -0.611 7.741 8.360 0.034 0.028 0.449 497 G N -0.717 108.128 108.800 0.074 0.000 2.505 497 G HA2 -0.348 nan 3.960 nan 0.000 0.220 497 G HA3 -0.348 nan 3.960 nan 0.000 0.220 497 G C 1.197 176.145 174.900 0.081 0.000 1.145 497 G CA 1.938 47.079 45.100 0.068 0.000 0.761 497 G HN -0.354 7.980 8.290 0.072 0.000 0.571 498 F N 3.014 122.921 119.950 -0.073 0.000 2.025 498 F HA -0.397 nan 4.527 nan 0.000 0.297 498 F C 1.458 177.150 175.800 -0.181 0.000 1.132 498 F CA 3.756 61.680 58.000 -0.127 0.000 1.191 498 F CB 0.317 39.218 39.000 -0.166 0.000 0.963 498 F HN -0.061 8.370 8.300 0.237 0.012 0.481 499 L N -3.349 117.975 121.223 0.168 0.000 2.083 499 L HA -0.505 nan 4.340 nan 0.000 0.209 499 L C 2.353 179.233 176.870 0.015 0.000 1.083 499 L CA 2.927 57.770 54.840 0.005 0.000 0.752 499 L CB -0.638 41.402 42.059 -0.031 0.000 0.899 499 L HN -0.585 7.757 8.230 0.185 0.000 0.433 500 R N -2.708 117.811 120.500 0.031 0.000 2.117 500 R HA -0.388 nan 4.340 nan 0.000 0.243 500 R C 2.944 179.251 176.300 0.012 0.000 1.143 500 R CA 3.445 59.564 56.100 0.033 0.000 0.968 500 R CB -0.676 29.646 30.300 0.036 0.000 0.863 500 R HN 0.347 8.565 8.270 0.046 0.080 0.444 501 E N -0.985 119.198 120.200 -0.029 0.000 2.107 501 E HA -0.190 nan 4.350 nan 0.000 0.191 501 E C 1.625 178.195 176.600 -0.051 0.000 0.982 501 E CA 2.349 58.713 56.400 -0.060 0.000 0.809 501 E CB -0.219 29.405 29.700 -0.127 0.000 0.756 501 E HN -0.391 7.822 8.360 -0.038 0.124 0.459 502 R N -2.266 118.210 120.500 -0.041 0.000 2.048 502 R HA -0.116 nan 4.340 nan 0.000 0.224 502 R C 1.679 178.006 176.300 0.046 0.000 1.163 502 R CA 2.108 58.231 56.100 0.038 0.000 0.956 502 R CB 0.495 30.917 30.300 0.204 0.000 0.849 502 R HN -0.713 7.417 8.270 -0.066 0.100 0.435 503 L N -3.337 117.936 121.223 0.084 0.000 2.633 503 L HA -0.120 nan 4.340 nan 0.000 0.235 503 L C 0.648 177.526 176.870 0.014 0.000 1.163 503 L CA 0.509 55.381 54.840 0.053 0.000 0.859 503 L CB -1.312 40.819 42.059 0.120 0.000 0.973 503 L HN -0.467 7.821 8.230 0.097 0.000 0.451 504 R N -1.528 118.993 120.500 0.035 0.000 2.308 504 R HA -0.023 nan 4.340 nan 0.000 0.305 504 R C -0.665 175.675 176.300 0.066 0.000 1.053 504 R CA -0.324 55.838 56.100 0.104 0.000 0.957 504 R CB 0.896 31.257 30.300 0.101 0.000 1.022 504 R HN -0.911 7.304 8.270 0.028 0.073 0.461 505 W N 0.000 121.331 121.300 0.052 0.000 2.388 505 W HA 0.000 nan 4.660 nan 0.000 0.303 505 W CA 0.000 57.373 57.345 0.047 0.000 1.226 505 W CB 0.000 29.494 29.460 0.056 0.000 1.126 505 W HN 0.000 8.521 8.180 0.568 0.000 0.535