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 1b76_1_B 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 0.000 177.612 177.584 0.046 0.000 1.274 1 A CA 0.000 52.081 52.037 0.073 0.000 0.836 1 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 2 A N -1.885 120.908 122.820 -0.045 0.000 2.318 2 A HA 0.421 nan 4.320 nan 0.000 0.317 2 A C -0.029 177.402 177.584 -0.255 0.000 1.159 2 A CA -1.467 50.385 52.037 -0.308 0.000 0.799 2 A CB 0.821 19.389 19.000 -0.721 0.000 1.194 2 A HN 0.055 8.200 8.150 -0.008 0.000 0.479 3 S N 4.252 119.802 115.700 -0.250 0.000 2.365 3 S HA -0.310 nan 4.470 nan 0.000 0.221 3 S C 0.188 174.698 174.600 -0.151 0.000 1.037 3 S CA 2.668 60.770 58.200 -0.163 0.000 1.060 3 S CB 0.173 63.294 63.200 -0.133 0.000 0.974 3 S HN 0.578 8.713 8.310 -0.272 0.011 0.427 4 S N 0.273 115.858 115.700 -0.192 0.000 2.501 4 S HA 0.092 nan 4.470 nan 0.000 0.301 4 S C 0.284 174.794 174.600 -0.150 0.000 1.096 4 S CA -1.530 56.586 58.200 -0.139 0.000 1.063 4 S CB 1.626 64.756 63.200 -0.116 0.000 1.042 4 S HN -0.467 7.957 8.310 -0.258 -0.269 0.494 5 L N 5.283 126.454 121.223 -0.086 0.000 2.043 5 L HA -0.361 nan 4.340 nan 0.000 0.212 5 L C 1.011 177.791 176.870 -0.150 0.000 1.075 5 L CA 3.626 58.421 54.840 -0.075 0.000 0.752 5 L CB -1.021 40.996 42.059 -0.070 0.000 0.891 5 L HN 0.802 8.997 8.230 -0.058 0.000 0.432 6 D N -3.223 117.089 120.400 -0.148 0.000 2.158 6 D HA -0.347 nan 4.640 nan 0.000 0.197 6 D C 2.716 178.931 176.300 -0.142 0.000 0.995 6 D CA 3.478 57.383 54.000 -0.158 0.000 0.846 6 D CB -1.153 39.583 40.800 -0.107 0.000 0.941 6 D HN 0.469 8.752 8.370 -0.119 0.016 0.456 7 E N 0.614 120.732 120.200 -0.137 0.000 2.023 7 E HA -0.357 nan 4.350 nan 0.000 0.196 7 E C 2.517 179.148 176.600 0.051 0.000 1.003 7 E CA 2.565 58.921 56.400 -0.073 0.000 0.809 7 E CB -0.217 29.258 29.700 -0.374 0.000 0.755 7 E HN -0.445 7.694 8.360 -0.168 0.121 0.449 8 L N -1.556 119.643 121.223 -0.041 0.000 2.043 8 L HA -0.315 nan 4.340 nan 0.000 0.212 8 L C 2.503 179.348 176.870 -0.043 0.000 1.075 8 L CA 3.167 58.069 54.840 0.103 0.000 0.752 8 L CB -1.165 40.966 42.059 0.121 0.000 0.891 8 L HN -0.635 7.486 8.230 -0.182 0.000 0.432 9 V N -1.774 117.920 119.914 -0.366 0.000 2.407 9 V HA -0.441 nan 4.120 nan 0.000 0.248 9 V C 1.912 177.837 176.094 -0.282 0.000 1.055 9 V CA 4.140 65.975 62.300 -0.773 0.000 1.049 9 V CB -1.459 29.799 31.823 -0.941 0.000 0.662 9 V HN 0.323 8.242 8.190 -0.315 0.081 0.455 10 A N -0.305 122.447 122.820 -0.113 0.000 1.841 10 A HA -0.248 nan 4.320 nan 0.000 0.214 10 A C 1.653 179.278 177.584 0.068 0.000 1.195 10 A CA 3.151 55.184 52.037 -0.007 0.000 0.611 10 A CB -0.605 18.408 19.000 0.022 0.000 0.835 10 A HN -0.044 7.841 8.150 -0.107 0.201 0.443 11 L N -1.784 119.507 121.223 0.114 0.000 2.079 11 L HA -0.396 nan 4.340 nan 0.000 0.210 11 L C 1.886 178.881 176.870 0.208 0.000 1.081 11 L CA 3.384 58.306 54.840 0.136 0.000 0.752 11 L CB -0.223 41.899 42.059 0.106 0.000 0.896 11 L HN -0.046 8.270 8.230 0.143 0.000 0.433 12 C N -3.107 116.308 119.300 0.192 0.000 2.411 12 C HA -0.418 nan 4.460 nan 0.000 0.279 12 C C 1.823 177.026 174.990 0.355 0.000 1.288 12 C CA 4.172 63.381 59.018 0.319 0.000 1.764 12 C CB -1.898 26.079 27.740 0.394 0.000 1.974 12 C HN 0.235 8.531 8.230 0.124 0.009 0.498 13 K N -1.278 119.288 120.400 0.277 0.000 2.335 13 K HA -0.032 nan 4.320 nan 0.000 0.195 13 K C 2.214 178.984 176.600 0.283 0.000 1.058 13 K CA 1.962 58.458 56.287 0.349 0.000 0.988 13 K CB 0.083 32.736 32.500 0.255 0.000 0.880 13 K HN -0.329 7.901 8.250 0.185 0.131 0.513 14 R N -1.568 119.049 120.500 0.195 0.000 2.235 14 R HA -0.165 nan 4.340 nan 0.000 0.213 14 R C 1.074 177.462 176.300 0.147 0.000 1.059 14 R CA 2.441 58.624 56.100 0.138 0.000 0.997 14 R CB 0.392 30.750 30.300 0.096 0.000 0.884 14 R HN -0.009 8.182 8.270 0.181 0.188 0.462 15 R N -5.155 115.471 120.500 0.210 0.000 2.531 15 R HA 0.209 nan 4.340 nan 0.000 0.316 15 R C -0.845 175.482 176.300 0.045 0.000 0.955 15 R CA -0.900 55.281 56.100 0.135 0.000 1.120 15 R CB 1.342 31.765 30.300 0.206 0.000 1.361 15 R HN -0.536 7.859 8.270 0.280 0.044 0.534 16 G N -1.206 107.704 108.800 0.184 0.000 2.212 16 G HA2 -0.317 nan 3.960 nan 0.000 0.255 16 G HA3 -0.317 nan 3.960 nan 0.000 0.255 16 G C -0.444 174.232 174.900 -0.373 0.000 1.062 16 G CA 0.634 45.737 45.100 0.004 0.000 0.815 16 G HN -0.625 7.741 8.290 0.325 0.120 0.497 17 F N 0.092 119.948 119.950 -0.157 0.000 2.202 17 F HA 0.181 nan 4.527 nan 0.000 0.279 17 F C -0.292 175.357 175.800 -0.251 0.000 1.077 17 F CA 3.001 60.935 58.000 -0.110 0.000 1.193 17 F CB 1.551 40.564 39.000 0.022 0.000 1.090 17 F HN 0.060 8.387 8.300 0.214 0.101 0.516 18 I N -3.714 116.877 120.570 0.035 0.000 2.545 18 I HA 0.222 nan 4.170 nan 0.000 0.292 18 I C -1.480 174.721 176.117 0.140 0.000 1.040 18 I CA -0.886 60.340 61.300 -0.122 0.000 1.068 18 I CB 3.058 40.950 38.000 -0.179 0.000 1.251 18 I HN -0.342 7.896 8.210 0.248 0.120 0.424 19 F N 3.420 123.457 119.950 0.144 0.000 2.538 19 F HA 0.368 nan 4.527 nan 0.000 0.325 19 F C -1.076 174.857 175.800 0.222 0.000 1.066 19 F CA -3.686 54.408 58.000 0.156 0.000 0.946 19 F CB 3.139 42.193 39.000 0.090 0.000 1.199 19 F HN 0.956 9.177 8.300 0.060 0.115 0.473 20 Q N 1.892 121.918 119.800 0.378 0.000 2.286 20 Q HA -0.010 nan 4.340 nan 0.000 0.265 20 Q C -0.273 175.779 176.000 0.087 0.000 1.080 20 Q CA -0.605 55.319 55.803 0.202 0.000 0.906 20 Q CB -0.408 28.403 28.738 0.121 0.000 1.227 20 Q HN 0.335 8.797 8.270 0.320 0.000 0.409 21 S N 5.615 121.319 115.700 0.006 0.000 2.563 21 S HA -0.235 nan 4.470 nan 0.000 0.284 21 S C 0.586 175.170 174.600 -0.027 0.000 1.331 21 S CA 0.973 59.176 58.200 0.005 0.000 1.047 21 S CB 0.256 63.436 63.200 -0.033 0.000 0.859 21 S HN -0.142 8.113 8.310 -0.092 0.000 0.514 22 S N 4.309 119.996 115.700 -0.021 0.000 3.477 22 S HA -0.478 nan 4.470 nan 0.000 0.357 22 S C 0.681 175.246 174.600 -0.058 0.000 1.083 22 S CA 1.502 59.675 58.200 -0.046 0.000 1.042 22 S CB -1.056 62.142 63.200 -0.002 0.000 0.911 22 S HN 0.757 9.066 8.310 -0.003 0.000 0.490 23 E N 0.578 120.739 120.200 -0.064 0.000 2.070 23 E HA -0.404 nan 4.350 nan 0.000 0.197 23 E C 1.591 178.146 176.600 -0.075 0.000 1.004 23 E CA 3.271 59.636 56.400 -0.057 0.000 0.805 23 E CB -0.332 29.332 29.700 -0.060 0.000 0.744 23 E HN -0.637 7.659 8.360 -0.053 0.032 0.451 24 I N -3.221 117.250 120.570 -0.165 0.000 2.151 24 I HA -0.256 nan 4.170 nan 0.000 0.243 24 I C 1.761 177.866 176.117 -0.020 0.000 1.080 24 I CA 2.854 64.046 61.300 -0.180 0.000 1.339 24 I CB -0.427 37.353 38.000 -0.367 0.000 1.039 24 I HN -0.210 7.878 8.210 -0.205 0.000 0.409 25 Y N 0.818 121.109 120.300 -0.015 0.000 2.881 25 Y HA 0.001 nan 4.550 nan 0.000 0.369 25 Y C 0.375 176.267 175.900 -0.013 0.000 1.066 25 Y CA -2.483 55.610 58.100 -0.013 0.000 1.616 25 Y CB -2.644 35.809 38.460 -0.011 0.000 1.436 25 Y HN -0.493 7.646 8.280 -0.233 0.000 0.505 26 G N 0.760 109.630 108.800 0.116 0.000 5.005 26 G HA2 -0.321 nan 3.960 nan 0.000 0.251 26 G HA3 -0.321 nan 3.960 nan 0.000 0.251 26 G C -0.726 174.193 174.900 0.031 0.000 1.536 26 G CA -0.401 44.736 45.100 0.062 0.000 1.060 26 G HN -0.211 8.040 8.290 0.092 0.095 0.683 27 G N 0.404 109.222 108.800 0.030 0.000 2.277 27 G HA2 -0.142 nan 3.960 nan 0.000 0.272 27 G HA3 -0.142 nan 3.960 nan 0.000 0.272 27 G C -2.036 172.857 174.900 -0.011 0.000 1.692 27 G CA -0.319 44.777 45.100 -0.007 0.000 0.926 27 G HN -0.683 7.640 8.290 0.054 0.000 0.720 28 L N 2.418 123.621 121.223 -0.033 0.000 2.260 28 L HA 0.226 nan 4.340 nan 0.000 0.289 28 L C -0.619 176.212 176.870 -0.064 0.000 1.057 28 L CA -1.776 53.050 54.840 -0.023 0.000 0.811 28 L CB 0.492 42.540 42.059 -0.019 0.000 1.184 28 L HN -0.141 8.057 8.230 -0.052 0.000 0.429 29 Q N 6.346 126.128 119.800 -0.029 0.000 2.364 29 Q HA -0.042 nan 4.340 nan 0.000 0.267 29 Q C 0.604 176.585 176.000 -0.032 0.000 0.999 29 Q CA 1.006 56.785 55.803 -0.041 0.000 0.886 29 Q CB 0.059 28.803 28.738 0.011 0.000 1.243 29 Q HN 0.364 8.636 8.270 0.002 0.000 0.415 30 G N -1.175 107.585 108.800 -0.067 0.000 2.168 30 G HA2 -0.460 nan 3.960 nan 0.000 0.257 30 G HA3 -0.460 nan 3.960 nan 0.000 0.257 30 G C -1.223 173.679 174.900 0.003 0.000 0.997 30 G CA 0.670 45.786 45.100 0.028 0.000 0.708 30 G HN 0.565 8.787 8.290 -0.113 0.000 0.520 31 V N -0.948 118.848 119.914 -0.197 0.000 2.483 31 V HA 0.405 nan 4.120 nan 0.000 0.297 31 V C -1.462 174.435 176.094 -0.328 0.000 1.027 31 V CA -1.375 60.849 62.300 -0.128 0.000 0.855 31 V CB 1.276 33.054 31.823 -0.074 0.000 0.995 31 V HN -1.000 6.937 8.190 -0.347 0.045 0.424 32 Y N 5.613 125.913 120.300 0.000 0.000 2.598 32 Y HA 0.541 nan 4.550 nan 0.000 0.340 32 Y C -0.841 175.039 175.900 -0.033 0.000 1.038 32 Y CA -1.559 56.522 58.100 -0.032 0.000 1.100 32 Y CB 3.592 41.967 38.460 -0.143 0.000 1.281 32 Y HN 0.347 8.721 8.280 0.155 0.000 0.488 33 D N -0.150 120.350 120.400 0.167 0.000 2.505 33 D HA 0.311 nan 4.640 nan 0.000 0.249 33 D C -1.694 174.603 176.300 -0.005 0.000 1.082 33 D CA -1.391 52.687 54.000 0.129 0.000 0.839 33 D CB 3.326 44.243 40.800 0.196 0.000 1.317 33 D HN 0.592 9.119 8.370 0.261 0.000 0.497 34 Y N 2.257 122.551 120.300 -0.009 0.000 2.477 34 Y HA 0.091 nan 4.550 nan 0.000 0.349 34 Y C 0.320 176.095 175.900 -0.208 0.000 0.977 34 Y CA -0.366 57.673 58.100 -0.101 0.000 1.214 34 Y CB 0.309 38.742 38.460 -0.045 0.000 1.124 34 Y HN 0.320 8.792 8.280 0.320 0.000 0.521 35 G N 4.808 113.366 108.800 -0.404 0.000 2.653 35 G HA2 0.239 nan 3.960 nan 0.000 0.265 35 G HA3 0.239 nan 3.960 nan 0.000 0.265 35 G C -1.456 173.301 174.900 -0.237 0.000 1.237 35 G CA -1.359 43.428 45.100 -0.521 0.000 0.946 35 G HN 0.151 8.000 8.290 -0.586 0.090 0.522 36 P HA -0.395 nan 4.420 nan 0.000 0.222 36 P C 1.336 178.534 177.300 -0.171 0.000 1.147 36 P CA 3.278 66.311 63.100 -0.112 0.000 0.958 36 P CB 0.096 31.748 31.700 -0.080 0.000 0.788 37 L N -4.876 116.148 121.223 -0.331 0.000 2.093 37 L HA -0.149 nan 4.340 nan 0.000 0.208 37 L C 2.595 179.289 176.870 -0.294 0.000 1.085 37 L CA 2.315 56.861 54.840 -0.491 0.000 0.755 37 L CB -1.432 39.927 42.059 -1.168 0.000 0.904 37 L HN -0.442 7.561 8.230 -0.378 0.000 0.435 38 G N -0.594 108.110 108.800 -0.161 0.000 2.422 38 G HA2 -0.327 nan 3.960 nan 0.000 0.218 38 G HA3 -0.327 nan 3.960 nan 0.000 0.218 38 G C 1.760 176.760 174.900 0.167 0.000 1.146 38 G CA 2.365 47.615 45.100 0.250 0.000 0.769 38 G HN -0.254 7.792 8.290 -0.288 0.071 0.547 39 V N 2.169 122.106 119.914 0.038 0.000 2.237 39 V HA -0.515 nan 4.120 nan 0.000 0.245 39 V C 2.172 178.252 176.094 -0.023 0.000 1.046 39 V CA 3.793 66.075 62.300 -0.030 0.000 1.007 39 V CB -1.063 30.745 31.823 -0.025 0.000 0.638 39 V HN 0.128 8.308 8.190 -0.001 0.009 0.445 40 E N -0.329 119.869 120.200 -0.004 0.000 2.035 40 E HA -0.441 nan 4.350 nan 0.000 0.204 40 E C 2.348 178.982 176.600 0.057 0.000 1.025 40 E CA 2.515 58.927 56.400 0.020 0.000 0.835 40 E CB -0.836 28.870 29.700 0.012 0.000 0.764 40 E HN -0.826 7.520 8.360 -0.023 0.000 0.457 41 L N -0.679 120.608 121.223 0.107 0.000 2.051 41 L HA -0.378 nan 4.340 nan 0.000 0.214 41 L C 1.829 178.765 176.870 0.109 0.000 1.076 41 L CA 3.030 57.966 54.840 0.159 0.000 0.758 41 L CB -0.291 41.941 42.059 0.288 0.000 0.890 41 L HN -0.037 8.259 8.230 0.109 0.000 0.433 42 K N -1.505 118.914 120.400 0.032 0.000 2.025 42 K HA -0.447 nan 4.320 nan 0.000 0.207 42 K C 2.162 178.745 176.600 -0.028 0.000 1.049 42 K CA 3.960 60.200 56.287 -0.077 0.000 0.933 42 K CB -0.270 32.002 32.500 -0.379 0.000 0.714 42 K HN -0.093 8.094 8.250 0.031 0.081 0.438 43 N N -0.115 118.574 118.700 -0.019 0.000 2.058 43 N HA -0.395 nan 4.740 nan 0.000 0.191 43 N C 2.097 177.662 175.510 0.091 0.000 1.037 43 N CA 3.711 56.771 53.050 0.016 0.000 0.848 43 N CB -0.156 38.337 38.487 0.010 0.000 1.021 43 N HN 0.199 8.560 8.380 -0.032 0.000 0.422 44 N N 1.225 119.994 118.700 0.114 0.000 2.091 44 N HA -0.422 nan 4.740 nan 0.000 0.193 44 N C 2.281 177.941 175.510 0.251 0.000 1.021 44 N CA 3.138 56.297 53.050 0.180 0.000 0.862 44 N CB -0.006 38.571 38.487 0.150 0.000 1.018 44 N HN 0.179 8.611 8.380 0.086 0.000 0.429 45 L N 0.205 121.559 121.223 0.220 0.000 2.005 45 L HA -0.284 nan 4.340 nan 0.000 0.207 45 L C 1.067 178.134 176.870 0.329 0.000 1.072 45 L CA 3.164 58.179 54.840 0.292 0.000 0.744 45 L CB -0.288 41.923 42.059 0.253 0.000 0.895 45 L HN -0.205 8.118 8.230 0.164 0.005 0.433 46 K N -1.305 119.218 120.400 0.205 0.000 2.044 46 K HA -0.525 nan 4.320 nan 0.000 0.210 46 K C 2.507 179.289 176.600 0.303 0.000 1.049 46 K CA 3.916 60.314 56.287 0.185 0.000 0.927 46 K CB -0.260 32.275 32.500 0.059 0.000 0.713 46 K HN -0.013 8.320 8.250 0.137 0.000 0.443 47 Q N -1.441 118.503 119.800 0.241 0.000 2.050 47 Q HA -0.357 nan 4.340 nan 0.000 0.202 47 Q C 2.301 178.468 176.000 0.279 0.000 0.980 47 Q CA 3.283 59.227 55.803 0.235 0.000 0.840 47 Q CB -0.093 28.760 28.738 0.192 0.000 0.898 47 Q HN 0.443 8.712 8.270 0.202 0.122 0.424 48 A N -0.375 122.653 122.820 0.345 0.000 1.940 48 A HA -0.274 nan 4.320 nan 0.000 0.219 48 A C 1.790 179.597 177.584 0.373 0.000 1.176 48 A CA 2.945 55.164 52.037 0.303 0.000 0.631 48 A CB -0.864 18.415 19.000 0.465 0.000 0.814 48 A HN -0.156 8.220 8.150 0.376 0.000 0.446 49 W N -0.995 120.457 121.300 0.253 0.000 2.436 49 W HA -0.266 nan 4.660 nan 0.000 0.284 49 W C 1.151 177.579 176.519 -0.152 0.000 1.225 49 W CA 3.442 60.735 57.345 -0.087 0.000 1.271 49 W CB 0.578 29.897 29.460 -0.235 0.000 1.114 49 W HN -0.142 8.306 8.180 0.618 0.102 0.559 50 W N -0.493 120.848 121.300 0.069 0.000 2.407 50 W HA -0.462 nan 4.660 nan 0.000 0.305 50 W C 1.456 177.706 176.519 -0.449 0.000 1.196 50 W CA 3.382 60.624 57.345 -0.172 0.000 1.311 50 W CB 0.420 29.809 29.460 -0.118 0.000 1.135 50 W HN -0.040 8.344 8.180 0.517 0.107 0.514 51 R N -0.994 119.367 120.500 -0.231 0.000 2.082 51 R HA -0.546 nan 4.340 nan 0.000 0.234 51 R C 1.917 178.046 176.300 -0.285 0.000 1.136 51 R CA 4.214 60.132 56.100 -0.304 0.000 0.935 51 R CB -0.225 29.968 30.300 -0.177 0.000 0.842 51 R HN 0.394 8.652 8.270 -0.020 0.000 0.430 52 R N -2.099 118.232 120.500 -0.282 0.000 2.103 52 R HA -0.286 nan 4.340 nan 0.000 0.242 52 R C 2.116 178.165 176.300 -0.418 0.000 1.142 52 R CA 2.615 58.545 56.100 -0.283 0.000 0.960 52 R CB -0.291 29.916 30.300 -0.155 0.000 0.858 52 R HN -0.291 7.846 8.270 -0.222 0.000 0.439 53 N N -4.135 114.152 118.700 -0.689 0.000 2.299 53 N HA 0.048 nan 4.740 nan 0.000 0.187 53 N C 0.531 175.699 175.510 -0.569 0.000 1.099 53 N CA 1.987 54.618 53.050 -0.697 0.000 0.867 53 N CB 1.797 39.578 38.487 -1.177 0.000 0.974 53 N HN -0.305 7.587 8.380 -0.812 0.000 0.477 54 V N -0.763 118.784 119.914 -0.612 0.000 3.029 54 V HA 0.031 nan 4.120 nan 0.000 0.230 54 V C 0.678 176.720 176.094 -0.087 0.000 1.254 54 V CA 1.950 63.960 62.300 -0.483 0.000 1.276 54 V CB 0.505 31.755 31.823 -0.955 0.000 1.080 54 V HN -0.054 7.749 8.190 -0.644 0.000 0.495 55 Y N -1.792 118.359 120.300 -0.248 0.000 2.242 55 Y HA -0.204 nan 4.550 nan 0.000 0.291 55 Y C 1.902 177.750 175.900 -0.086 0.000 1.137 55 Y CA 0.561 58.604 58.100 -0.095 0.000 1.181 55 Y CB -0.337 38.112 38.460 -0.018 0.000 0.989 55 Y HN -0.483 7.633 8.280 -0.274 0.000 0.527 56 E N -2.292 117.939 120.200 0.051 0.000 2.122 56 E HA -0.168 nan 4.350 nan 0.000 0.190 56 E C 0.331 176.923 176.600 -0.013 0.000 0.977 56 E CA 0.862 57.262 56.400 0.000 0.000 0.820 56 E CB 0.424 30.095 29.700 -0.047 0.000 0.770 56 E HN -0.231 8.116 8.360 -0.021 0.000 0.462 57 R N -1.158 119.317 120.500 -0.040 0.000 2.679 57 R HA -0.020 nan 4.340 nan 0.000 0.269 57 R C -0.428 175.884 176.300 0.020 0.000 1.076 57 R CA 0.621 56.716 56.100 -0.008 0.000 1.160 57 R CB 0.373 30.667 30.300 -0.010 0.000 1.054 57 R HN -0.562 7.658 8.270 -0.084 0.000 0.507 58 D N -0.287 120.142 120.400 0.048 0.000 2.501 58 D HA 0.237 nan 4.640 nan 0.000 0.224 58 D C -0.693 175.647 176.300 0.067 0.000 1.202 58 D CA 0.832 54.861 54.000 0.047 0.000 0.829 58 D CB 0.967 41.793 40.800 0.042 0.000 1.023 58 D HN 0.365 8.774 8.370 0.064 0.000 0.499 59 D N -5.422 115.034 120.400 0.093 0.000 2.556 59 D HA 0.135 nan 4.640 nan 0.000 0.237 59 D C -1.384 174.994 176.300 0.131 0.000 1.296 59 D CA -0.821 53.253 54.000 0.124 0.000 0.807 59 D CB 0.498 41.398 40.800 0.166 0.000 1.084 59 D HN 0.091 8.447 8.370 0.091 0.069 0.510 60 M N -1.029 118.621 119.600 0.085 0.000 2.578 60 M HA 0.418 nan 4.480 nan 0.000 0.321 60 M C -1.556 174.775 176.300 0.052 0.000 1.182 60 M CA -0.528 54.804 55.300 0.055 0.000 0.965 60 M CB 3.694 36.262 32.600 -0.053 0.000 1.694 60 M HN -0.822 7.502 8.290 0.056 0.000 0.461 61 E N 2.733 122.982 120.200 0.081 0.000 2.256 61 E HA 0.312 nan 4.350 nan 0.000 0.268 61 E C -1.328 175.313 176.600 0.069 0.000 0.877 61 E CA -1.771 54.684 56.400 0.091 0.000 0.757 61 E CB 3.912 33.700 29.700 0.146 0.000 1.183 61 E HN -0.102 8.319 8.360 0.101 0.000 0.418 62 G N 1.092 109.958 108.800 0.110 0.000 2.616 62 G HA2 0.296 nan 3.960 nan 0.000 0.268 62 G HA3 0.296 nan 3.960 nan 0.000 0.268 62 G C -1.626 173.463 174.900 0.316 0.000 1.213 62 G CA -0.012 45.235 45.100 0.245 0.000 0.926 62 G HN 0.112 8.491 8.290 0.148 0.000 0.523 63 L N -2.051 119.422 121.223 0.416 0.000 2.869 63 L HA 0.197 nan 4.340 nan 0.000 0.265 63 L C -2.723 174.272 176.870 0.208 0.000 1.011 63 L CA 0.470 55.457 54.840 0.244 0.000 0.913 63 L CB 4.366 46.521 42.059 0.159 0.000 1.490 63 L HN -0.277 8.347 8.230 0.657 0.000 0.410 64 D N 1.755 122.221 120.400 0.109 0.000 2.411 64 D HA 0.173 nan 4.640 nan 0.000 0.239 64 D C -1.828 174.492 176.300 0.034 0.000 1.307 64 D CA -0.726 53.308 54.000 0.057 0.000 0.930 64 D CB 1.169 41.978 40.800 0.014 0.000 1.395 64 D HN -0.422 8.004 8.370 0.094 0.000 0.536 65 A N 3.553 126.390 122.820 0.029 0.000 2.259 65 A HA 0.202 nan 4.320 nan 0.000 0.278 65 A C -0.822 176.765 177.584 0.005 0.000 1.107 65 A CA -0.726 51.318 52.037 0.013 0.000 0.828 65 A CB 1.963 20.965 19.000 0.004 0.000 1.111 65 A HN -0.034 8.136 8.150 0.035 0.000 0.498 66 S N -2.784 112.915 115.700 -0.003 0.000 2.669 66 S HA 0.068 nan 4.470 nan 0.000 0.270 66 S C 1.140 175.727 174.600 -0.022 0.000 1.225 66 S CA -1.343 56.851 58.200 -0.011 0.000 0.991 66 S CB 1.861 65.052 63.200 -0.015 0.000 0.987 66 S HN -0.138 8.170 8.310 -0.003 0.000 0.552 67 V N 0.020 119.908 119.914 -0.043 0.000 2.407 67 V HA -0.133 nan 4.120 nan 0.000 0.245 67 V C 0.340 176.361 176.094 -0.122 0.000 1.041 67 V CA 1.967 64.205 62.300 -0.103 0.000 1.040 67 V CB -0.091 31.627 31.823 -0.175 0.000 0.671 67 V HN 0.445 8.613 8.190 -0.036 0.000 0.455 68 L N -1.435 119.735 121.223 -0.089 0.000 2.410 68 L HA -0.058 nan 4.340 nan 0.000 0.273 68 L C -1.067 175.805 176.870 0.003 0.000 1.144 68 L CA 0.557 55.366 54.840 -0.052 0.000 0.863 68 L CB 0.130 42.162 42.059 -0.046 0.000 1.140 68 L HN -0.496 7.688 8.230 -0.076 0.000 0.463 69 T N 3.898 118.484 114.554 0.053 0.000 2.848 69 T HA 0.374 nan 4.350 nan 0.000 0.285 69 T C -1.164 173.655 174.700 0.198 0.000 0.995 69 T CA -1.238 60.924 62.100 0.102 0.000 0.970 69 T CB 1.659 70.572 68.868 0.076 0.000 0.976 69 T HN 0.281 8.559 8.240 0.062 0.000 0.441 70 H N 5.993 125.105 119.070 0.071 0.000 3.046 70 H HA -0.104 nan 4.556 nan 0.000 0.303 70 H C 0.830 176.236 175.328 0.131 0.000 1.002 70 H CA 0.059 56.154 56.048 0.079 0.000 1.460 70 H CB 0.979 30.773 29.762 0.053 0.000 1.493 70 H HN 0.522 8.945 8.280 0.238 0.000 0.559 71 R N 7.272 127.826 120.500 0.090 0.000 2.190 71 R HA -0.481 nan 4.340 nan 0.000 0.255 71 R C 1.208 177.486 176.300 -0.037 0.000 1.143 71 R CA 3.682 59.853 56.100 0.119 0.000 0.965 71 R CB -0.326 29.992 30.300 0.031 0.000 0.889 71 R HN 0.053 8.418 8.270 0.159 0.000 0.448 72 L N -3.007 118.060 121.223 -0.261 0.000 1.978 72 L HA -0.353 nan 4.340 nan 0.000 0.218 72 L C 2.207 179.193 176.870 0.192 0.000 1.075 72 L CA 2.958 57.747 54.840 -0.086 0.000 0.767 72 L CB -0.766 41.233 42.059 -0.101 0.000 0.890 72 L HN -0.387 7.448 8.230 -0.638 0.012 0.434 73 V N -0.791 119.261 119.914 0.230 0.000 2.222 73 V HA -0.548 nan 4.120 nan 0.000 0.252 73 V C 2.311 178.569 176.094 0.272 0.000 1.060 73 V CA 4.126 66.642 62.300 0.360 0.000 1.027 73 V CB -0.734 31.222 31.823 0.221 0.000 0.644 73 V HN -0.439 7.845 8.190 0.157 0.000 0.448 74 L N -4.596 116.670 121.223 0.072 0.000 2.450 74 L HA -0.363 nan 4.340 nan 0.000 0.224 74 L C 1.684 178.528 176.870 -0.043 0.000 1.149 74 L CA 2.290 57.093 54.840 -0.061 0.000 0.816 74 L CB -0.934 40.921 42.059 -0.340 0.000 0.932 74 L HN -0.096 8.160 8.230 0.043 0.000 0.449 75 H N 1.898 120.880 119.070 -0.145 0.000 2.294 75 H HA -0.216 nan 4.556 nan 0.000 0.306 75 H C 2.408 177.563 175.328 -0.288 0.000 1.065 75 H CA 4.066 59.963 56.048 -0.252 0.000 1.343 75 H CB 0.096 29.632 29.762 -0.377 0.000 1.396 75 H HN -0.118 8.018 8.280 0.085 0.195 0.506 76 Y N -1.091 119.113 120.300 -0.161 0.000 2.421 76 Y HA -0.269 nan 4.550 nan 0.000 0.292 76 Y C 0.878 176.524 175.900 -0.423 0.000 1.136 76 Y CA 2.838 60.722 58.100 -0.359 0.000 1.255 76 Y CB -0.538 37.740 38.460 -0.303 0.000 0.991 76 Y HN 0.326 8.608 8.280 0.003 0.000 0.552 77 S N -4.503 111.145 115.700 -0.087 0.000 2.453 77 S HA -0.190 nan 4.470 nan 0.000 0.231 77 S C 1.454 176.093 174.600 0.065 0.000 1.005 77 S CA 1.458 59.678 58.200 0.033 0.000 0.949 77 S CB 0.797 64.147 63.200 0.250 0.000 0.774 77 S HN -0.326 7.905 8.310 0.002 0.080 0.510 78 G N 1.237 110.012 108.800 -0.043 0.000 2.175 78 G HA2 -0.303 nan 3.960 nan 0.000 0.244 78 G HA3 -0.303 nan 3.960 nan 0.000 0.244 78 G C 0.362 175.173 174.900 -0.148 0.000 0.982 78 G CA 0.824 45.875 45.100 -0.082 0.000 0.641 78 G HN -0.136 7.907 8.290 -0.121 0.174 0.527 79 H N 1.664 120.649 119.070 -0.142 0.000 2.333 79 H HA -0.198 nan 4.556 nan 0.000 0.302 79 H C 1.944 177.143 175.328 -0.214 0.000 1.075 79 H CA 4.401 60.359 56.048 -0.150 0.000 1.348 79 H CB 0.049 29.768 29.762 -0.071 0.000 1.393 79 H HN -0.101 8.211 8.280 0.167 0.068 0.509 80 E N -0.369 119.812 120.200 -0.031 0.000 2.070 80 E HA -0.410 nan 4.350 nan 0.000 0.197 80 E C 1.905 178.449 176.600 -0.092 0.000 1.004 80 E CA 3.066 59.453 56.400 -0.022 0.000 0.805 80 E CB -0.086 29.611 29.700 -0.005 0.000 0.744 80 E HN -0.155 8.193 8.360 -0.019 0.000 0.451 81 A N -2.445 120.278 122.820 -0.163 0.000 1.908 81 A HA -0.208 nan 4.320 nan 0.000 0.218 81 A C 2.220 179.639 177.584 -0.274 0.000 1.181 81 A CA 2.836 54.765 52.037 -0.180 0.000 0.627 81 A CB -0.868 18.038 19.000 -0.157 0.000 0.818 81 A HN 0.404 8.444 8.150 -0.165 0.011 0.445 82 T N 0.133 114.385 114.554 -0.503 0.000 2.946 82 T HA -0.185 nan 4.350 nan 0.000 0.271 82 T C 0.582 174.903 174.700 -0.632 0.000 1.104 82 T CA 2.877 64.571 62.100 -0.676 0.000 1.114 82 T CB -0.367 67.900 68.868 -1.002 0.000 0.867 82 T HN -0.451 7.477 8.240 -0.519 0.000 0.513 83 F N -1.804 118.143 119.950 -0.006 0.000 2.855 83 F HA 0.239 nan 4.527 nan 0.000 0.317 83 F C -1.251 174.429 175.800 -0.200 0.000 1.169 83 F CA -2.750 55.255 58.000 0.007 0.000 1.299 83 F CB -0.227 38.815 39.000 0.071 0.000 0.962 83 F HN -0.758 7.217 8.300 -0.432 0.066 0.506 84 A N -0.401 122.334 122.820 -0.141 0.000 2.842 84 A HA 0.054 nan 4.320 nan 0.000 0.298 84 A C -1.622 175.916 177.584 -0.077 0.000 1.293 84 A CA -0.160 51.658 52.037 -0.365 0.000 0.959 84 A CB 0.344 19.225 19.000 -0.197 0.000 1.119 84 A HN -0.562 7.461 8.150 -0.100 0.067 0.564 85 D N -3.317 117.174 120.400 0.151 0.000 2.473 85 D HA 0.308 nan 4.640 nan 0.000 0.226 85 D C -2.563 174.074 176.300 0.563 0.000 1.089 85 D CA -4.153 50.034 54.000 0.311 0.000 0.883 85 D CB -0.140 40.798 40.800 0.229 0.000 1.029 85 D HN -0.472 7.860 8.370 0.147 0.126 0.517 86 P HA -0.063 nan 4.420 nan 0.000 0.268 86 P C -1.165 176.269 177.300 0.223 0.000 1.205 86 P CA 0.245 63.508 63.100 0.272 0.000 0.771 86 P CB 0.741 32.530 31.700 0.148 0.000 0.858 87 M N 2.373 122.104 119.600 0.219 0.000 2.035 87 M HA 0.158 nan 4.480 nan 0.000 0.286 87 M C -1.069 175.376 176.300 0.242 0.000 0.907 87 M CA -2.179 53.268 55.300 0.245 0.000 0.935 87 M CB 1.214 34.004 32.600 0.315 0.000 1.557 87 M HN -0.109 8.252 8.290 0.167 0.029 0.426 88 V N 2.739 122.782 119.914 0.214 0.000 2.096 88 V HA 0.094 nan 4.120 nan 0.000 0.259 88 V C -0.308 176.072 176.094 0.476 0.000 1.420 88 V CA -1.913 60.558 62.300 0.285 0.000 1.336 88 V CB -1.890 30.013 31.823 0.133 0.000 1.394 88 V HN 0.105 8.405 8.190 0.183 0.000 0.494 89 D N 6.490 127.081 120.400 0.319 0.000 2.525 89 D HA -0.201 nan 4.640 nan 0.000 0.235 89 D C -1.346 175.023 176.300 0.116 0.000 1.137 89 D CA 1.384 55.497 54.000 0.188 0.000 0.868 89 D CB 1.253 42.131 40.800 0.130 0.000 1.180 89 D HN -0.406 8.097 8.370 0.293 0.043 0.465 90 N N 3.774 122.339 118.700 -0.224 0.000 2.476 90 N HA 0.018 nan 4.740 nan 0.000 0.275 90 N C -1.167 174.056 175.510 -0.479 0.000 1.190 90 N CA -0.520 52.017 53.050 -0.855 0.000 0.977 90 N CB 2.874 40.533 38.487 -1.380 0.000 1.200 90 N HN -0.482 7.807 8.380 -0.152 0.000 0.515 91 A N 0.659 123.166 122.820 -0.522 0.000 2.545 91 A HA -0.018 nan 4.320 nan 0.000 0.297 91 A C -0.774 176.664 177.584 -0.243 0.000 1.340 91 A CA 0.839 52.711 52.037 -0.276 0.000 1.016 91 A CB -1.656 17.210 19.000 -0.223 0.000 1.122 91 A HN 0.391 8.070 8.150 -0.785 0.000 0.537 92 K N 0.042 120.336 120.400 -0.176 0.000 3.264 92 K HA -0.259 nan 4.320 nan 0.000 0.263 92 K C -1.537 174.983 176.600 -0.133 0.000 1.310 92 K CA 0.188 56.397 56.287 -0.131 0.000 0.782 92 K CB -2.305 30.126 32.500 -0.115 0.000 1.739 92 K HN 0.309 8.468 8.250 -0.152 0.000 0.537 93 A N -3.466 119.267 122.820 -0.146 0.000 3.287 93 A HA 0.361 nan 4.320 nan 0.000 0.299 93 A C -2.080 175.447 177.584 -0.094 0.000 1.086 93 A CA 0.106 52.072 52.037 -0.117 0.000 0.586 93 A CB 1.968 20.885 19.000 -0.140 0.000 1.539 93 A HN -0.333 7.722 8.150 -0.158 0.000 0.694 94 R N -3.377 117.089 120.500 -0.057 0.000 3.407 94 R HA 0.385 nan 4.340 nan 0.000 0.249 94 R C -2.010 174.322 176.300 0.055 0.000 1.359 94 R CA -0.902 55.186 56.100 -0.019 0.000 1.012 94 R CB 1.438 31.714 30.300 -0.040 0.000 1.511 94 R HN 0.354 8.596 8.270 -0.046 0.000 0.474 160 T N 3.005 117.729 114.554 0.282 0.000 2.945 160 T HA 0.501 nan 4.350 nan 0.000 0.286 160 T C -2.382 172.422 174.700 0.174 0.000 1.025 160 T CA -1.391 60.817 62.100 0.180 0.000 1.039 160 T CB 0.998 69.956 68.868 0.150 0.000 1.068 160 T HN -0.010 8.436 8.240 0.343 0.000 0.497 161 P HA 0.184 nan 4.420 nan 0.000 0.265 161 P C -1.892 175.454 177.300 0.076 0.000 1.193 161 P CA -1.656 61.482 63.100 0.064 0.000 0.765 161 P CB -0.191 31.518 31.700 0.016 0.000 0.823 162 P HA -0.029 nan 4.420 nan 0.000 0.266 162 P C -1.564 175.706 177.300 -0.051 0.000 1.419 162 P CA -0.137 62.988 63.100 0.042 0.000 1.112 162 P CB -0.459 31.234 31.700 -0.012 0.000 1.438 163 R N 2.825 123.337 120.500 0.021 0.000 2.589 163 R HA 0.289 nan 4.340 nan 0.000 0.293 163 R C -1.147 175.185 176.300 0.054 0.000 0.963 163 R CA -1.842 54.179 56.100 -0.132 0.000 0.905 163 R CB 1.605 31.755 30.300 -0.251 0.000 1.144 163 R HN -0.160 8.216 8.270 0.176 0.000 0.459 164 Y N -0.995 119.382 120.300 0.129 0.000 2.220 164 Y HA -0.013 nan 4.550 nan 0.000 0.347 164 Y C 0.457 176.493 175.900 0.226 0.000 1.311 164 Y CA 0.067 58.333 58.100 0.278 0.000 1.593 164 Y CB 0.799 39.386 38.460 0.212 0.000 1.419 164 Y HN 0.122 8.171 8.280 -0.384 0.000 0.614 165 F N -2.426 117.680 119.950 0.259 0.000 2.791 165 F HA 0.039 nan 4.527 nan 0.000 0.316 165 F C -0.477 175.211 175.800 -0.187 0.000 1.134 165 F CA -1.017 57.024 58.000 0.067 0.000 1.222 165 F CB 0.312 39.353 39.000 0.069 0.000 1.034 165 F HN -0.031 8.848 8.300 0.707 -0.155 0.516 166 N N 1.570 120.229 118.700 -0.069 0.000 1.819 166 N HA -0.313 nan 4.740 nan 0.000 0.306 166 N C 0.171 175.256 175.510 -0.708 0.000 1.336 166 N CA 1.329 54.078 53.050 -0.501 0.000 0.875 166 N CB -0.220 38.290 38.487 0.038 0.000 1.195 166 N HN -0.154 8.353 8.380 0.212 0.000 0.493 167 M N 1.521 120.270 119.600 -1.418 0.000 2.460 167 M HA -0.131 nan 4.480 nan 0.000 0.263 167 M C 0.044 176.137 176.300 -0.345 0.000 1.071 167 M CA 1.017 55.938 55.300 -0.631 0.000 1.096 167 M CB -0.726 31.635 32.600 -0.398 0.000 1.408 167 M HN 0.165 6.418 8.290 -3.396 0.000 0.463 168 M N -1.791 117.701 119.600 -0.180 0.000 2.250 168 M HA 0.012 nan 4.480 nan 0.000 0.344 168 M C -0.432 175.934 176.300 0.109 0.000 1.150 168 M CA 0.751 56.085 55.300 0.057 0.000 1.147 168 M CB 0.682 33.450 32.600 0.280 0.000 1.498 168 M HN -0.955 7.309 8.290 -0.256 -0.128 0.461 169 F N 1.586 121.636 119.950 0.168 0.000 2.375 169 F HA 0.106 nan 4.527 nan 0.000 0.333 169 F C -0.143 175.672 175.800 0.025 0.000 1.104 169 F CA -0.004 58.046 58.000 0.082 0.000 1.149 169 F CB 1.193 40.234 39.000 0.068 0.000 1.190 169 F HN 0.384 8.827 8.300 0.238 0.000 0.533 170 Q N 1.831 121.716 119.800 0.141 0.000 2.416 170 Q HA 0.510 nan 4.340 nan 0.000 0.279 170 Q C -1.819 174.112 176.000 -0.114 0.000 1.101 170 Q CA -0.729 54.977 55.803 -0.162 0.000 0.830 170 Q CB 4.217 32.807 28.738 -0.247 0.000 1.402 170 Q HN 0.028 8.437 8.270 0.231 0.000 0.445 171 D N -0.076 120.226 120.400 -0.164 0.000 2.722 171 D HA 0.085 nan 4.640 nan 0.000 0.231 171 D C -2.556 173.680 176.300 -0.107 0.000 1.218 171 D CA 0.186 54.118 54.000 -0.114 0.000 0.753 171 D CB 2.511 43.249 40.800 -0.104 0.000 1.471 171 D HN 0.001 8.224 8.370 -0.245 0.000 0.455 172 L N -0.828 120.349 121.223 -0.077 0.000 2.313 172 L HA 0.644 nan 4.340 nan 0.000 0.268 172 L C -0.750 176.096 176.870 -0.041 0.000 1.010 172 L CA -1.388 53.417 54.840 -0.058 0.000 0.814 172 L CB 2.556 44.585 42.059 -0.049 0.000 1.304 172 L HN -0.009 8.179 8.230 -0.069 0.000 0.441 173 R N 1.408 121.892 120.500 -0.026 0.000 2.441 173 R HA -0.029 nan 4.340 nan 0.000 0.300 173 R C 0.667 176.956 176.300 -0.019 0.000 1.284 173 R CA -0.779 55.309 56.100 -0.020 0.000 1.069 173 R CB -1.407 28.887 30.300 -0.009 0.000 1.087 173 R HN 0.331 8.480 8.270 -0.022 0.109 0.519 174 G N 7.792 116.579 108.800 -0.022 0.000 2.596 174 G HA2 -0.439 nan 3.960 nan 0.000 0.421 174 G HA3 -0.439 nan 3.960 nan 0.000 0.421 174 G C -1.732 173.158 174.900 -0.016 0.000 1.364 174 G CA 0.035 45.124 45.100 -0.019 0.000 0.954 174 G HN -0.231 8.044 8.290 -0.025 0.000 0.524 175 P HA -0.383 nan 4.420 nan 0.000 0.276 175 P C -0.420 176.873 177.300 -0.011 0.000 0.812 175 P CA 1.874 64.968 63.100 -0.011 0.000 1.000 175 P CB -0.022 31.673 31.700 -0.009 0.000 0.900 176 R N -1.425 119.068 120.500 -0.011 0.000 2.120 176 R HA 0.319 nan 4.340 nan 0.000 0.117 176 R C -0.020 176.271 176.300 -0.015 0.000 1.688 176 R CA -0.311 55.782 56.100 -0.011 0.000 1.540 176 R CB 1.360 31.655 30.300 -0.008 0.000 1.245 176 R HN 0.379 8.643 8.270 -0.010 0.000 0.482 177 G N -1.080 107.712 108.800 -0.014 0.000 5.482 177 G HA2 0.163 nan 3.960 nan 0.000 0.208 177 G HA3 0.163 nan 3.960 nan 0.000 0.208 177 G C -1.146 173.744 174.900 -0.017 0.000 0.756 177 G CA -0.124 44.965 45.100 -0.020 0.000 0.682 177 G HN -0.038 8.245 8.290 -0.011 0.000 0.405 178 G N -0.579 108.214 108.800 -0.011 0.000 2.432 178 G HA2 -0.131 nan 3.960 nan 0.000 0.239 178 G HA3 -0.131 nan 3.960 nan 0.000 0.239 178 G C 0.783 175.676 174.900 -0.011 0.000 1.291 178 G CA -0.776 44.319 45.100 -0.007 0.000 0.863 178 G HN -0.214 8.070 8.290 -0.010 0.000 0.560 179 R N 3.820 124.314 120.500 -0.010 0.000 2.249 179 R HA -0.220 nan 4.340 nan 0.000 0.230 179 R C 2.285 178.575 176.300 -0.016 0.000 1.121 179 R CA 1.903 57.994 56.100 -0.015 0.000 0.997 179 R CB -0.326 29.969 30.300 -0.009 0.000 0.867 179 R HN 0.606 8.873 8.270 -0.005 0.000 0.465 180 G N -3.296 105.501 108.800 -0.005 0.000 2.430 180 G HA2 -0.096 nan 3.960 nan 0.000 0.216 180 G HA3 -0.096 nan 3.960 nan 0.000 0.216 180 G C -0.047 174.870 174.900 0.029 0.000 1.146 180 G CA 1.090 46.195 45.100 0.008 0.000 0.793 180 G HN -0.135 8.091 8.290 -0.002 0.063 0.537 181 L N 0.237 121.470 121.223 0.017 0.000 2.912 181 L HA 0.304 nan 4.340 nan 0.000 0.240 181 L C -1.370 175.501 176.870 0.001 0.000 1.262 181 L CA -1.628 53.226 54.840 0.023 0.000 1.058 181 L CB -0.682 41.383 42.059 0.010 0.000 1.383 181 L HN -0.276 7.838 8.230 0.004 0.119 0.512 182 L N 0.854 122.069 121.223 -0.012 0.000 2.349 182 L HA 0.370 nan 4.340 nan 0.000 0.275 182 L C -2.129 174.716 176.870 -0.042 0.000 1.115 182 L CA -0.612 54.187 54.840 -0.070 0.000 0.820 182 L CB 1.650 43.648 42.059 -0.101 0.000 1.135 182 L HN -0.785 7.339 8.230 -0.002 0.104 0.445 183 A N 4.611 127.372 122.820 -0.099 0.000 2.454 183 A HA 0.731 nan 4.320 nan 0.000 0.302 183 A C -2.415 175.109 177.584 -0.099 0.000 1.079 183 A CA -1.302 50.728 52.037 -0.012 0.000 0.731 183 A CB 3.558 22.563 19.000 0.008 0.000 1.299 183 A HN 0.825 8.782 8.150 -0.157 0.099 0.413 184 Y N -2.563 117.741 120.300 0.006 0.000 2.549 184 Y HA 0.535 nan 4.550 nan 0.000 0.339 184 Y C -1.029 174.837 175.900 -0.057 0.000 1.053 184 Y CA -1.924 56.177 58.100 0.001 0.000 1.105 184 Y CB 4.526 42.998 38.460 0.020 0.000 1.258 184 Y HN 0.463 8.902 8.280 0.265 0.000 0.478 185 L N 1.147 122.444 121.223 0.124 0.000 2.264 185 L HA 0.375 nan 4.340 nan 0.000 0.289 185 L C -0.784 176.066 176.870 -0.034 0.000 1.044 185 L CA -1.181 53.578 54.840 -0.136 0.000 0.807 185 L CB 0.484 42.342 42.059 -0.336 0.000 1.192 185 L HN -0.205 8.172 8.230 0.244 0.000 0.425 186 R N 3.889 124.340 120.500 -0.082 0.000 2.488 186 R HA -0.125 nan 4.340 nan 0.000 0.317 186 R C -0.746 175.545 176.300 -0.014 0.000 0.941 186 R CA -0.180 55.892 56.100 -0.047 0.000 1.076 186 R CB -0.890 29.384 30.300 -0.044 0.000 0.917 186 R HN 0.383 8.573 8.270 -0.134 0.000 0.407 187 P HA -0.178 nan 4.420 nan 0.000 0.218 187 P C -0.789 176.539 177.300 0.047 0.000 1.149 187 P CA 1.953 65.067 63.100 0.022 0.000 0.817 187 P CB 0.205 31.904 31.700 -0.002 0.000 0.785 188 E N -6.407 113.794 120.200 0.001 0.000 2.408 188 E HA 0.248 nan 4.350 nan 0.000 0.275 188 E C 0.075 176.684 176.600 0.016 0.000 0.935 188 E CA -1.495 54.942 56.400 0.062 0.000 0.775 188 E CB 2.421 32.199 29.700 0.130 0.000 1.277 188 E HN -0.635 7.654 8.360 -0.076 0.025 0.455 189 T N 0.415 114.983 114.554 0.024 0.000 2.896 189 T HA -0.038 nan 4.350 nan 0.000 0.263 189 T C 1.226 175.890 174.700 -0.059 0.000 1.050 189 T CA 3.766 65.860 62.100 -0.011 0.000 1.140 189 T CB -0.427 68.437 68.868 -0.007 0.000 0.877 189 T HN 0.484 9.032 8.240 0.055 -0.275 0.457 190 A N 1.158 123.942 122.820 -0.061 0.000 1.954 190 A HA -0.444 nan 4.320 nan 0.000 0.222 190 A C 1.852 179.236 177.584 -0.334 0.000 1.199 190 A CA 3.177 55.090 52.037 -0.206 0.000 0.657 190 A CB -1.085 17.942 19.000 0.045 0.000 0.823 190 A HN -0.359 7.919 8.150 0.002 -0.126 0.463 191 Q N -2.237 117.561 119.800 -0.002 0.000 2.061 191 Q HA -0.343 nan 4.340 nan 0.000 0.204 191 Q C 2.682 178.671 176.000 -0.019 0.000 0.984 191 Q CA 2.438 58.313 55.803 0.120 0.000 0.846 191 Q CB -0.663 28.135 28.738 0.100 0.000 0.902 191 Q HN -0.188 8.075 8.270 0.026 0.022 0.421 192 G N -2.237 106.528 108.800 -0.058 0.000 2.462 192 G HA2 -0.249 nan 3.960 nan 0.000 0.220 192 G HA3 -0.249 nan 3.960 nan 0.000 0.220 192 G C 1.160 176.020 174.900 -0.067 0.000 1.121 192 G CA 1.813 46.883 45.100 -0.048 0.000 0.758 192 G HN -0.289 7.969 8.290 -0.053 0.000 0.559 193 I N 1.231 121.692 120.570 -0.182 0.000 2.162 193 I HA -0.456 nan 4.170 nan 0.000 0.238 193 I C 2.080 178.186 176.117 -0.019 0.000 1.076 193 I CA 3.064 64.273 61.300 -0.152 0.000 1.353 193 I CB -0.306 37.501 38.000 -0.321 0.000 1.063 193 I HN -0.704 7.203 8.210 -0.277 0.137 0.408 194 F N -0.942 119.097 119.950 0.149 0.000 2.063 194 F HA -0.379 nan 4.527 nan 0.000 0.298 194 F C 2.805 178.627 175.800 0.035 0.000 1.109 194 F CA 3.352 61.431 58.000 0.132 0.000 1.212 194 F CB -1.539 37.504 39.000 0.072 0.000 0.973 194 F HN -0.575 7.251 8.300 -0.789 0.000 0.480 195 V N -5.467 114.490 119.914 0.070 0.000 2.867 195 V HA -0.281 nan 4.120 nan 0.000 0.260 195 V C 0.739 176.852 176.094 0.032 0.000 1.099 195 V CA 2.755 65.023 62.300 -0.054 0.000 1.122 195 V CB -1.341 30.403 31.823 -0.132 0.000 0.708 195 V HN -0.160 8.060 8.190 0.050 0.000 0.490 196 N N -1.715 117.029 118.700 0.073 0.000 2.254 196 N HA 0.216 nan 4.740 nan 0.000 0.190 196 N C 0.655 176.211 175.510 0.076 0.000 1.107 196 N CA 0.040 53.125 53.050 0.058 0.000 0.869 196 N CB 1.089 39.604 38.487 0.046 0.000 0.983 196 N HN -0.251 8.000 8.380 0.090 0.183 0.487 197 F N 2.875 122.816 119.950 -0.015 0.000 2.054 197 F HA -0.591 nan 4.527 nan 0.000 0.294 197 F C 0.885 176.645 175.800 -0.068 0.000 1.126 197 F CA 4.469 62.410 58.000 -0.099 0.000 1.226 197 F CB -0.146 38.726 39.000 -0.213 0.000 0.947 197 F HN -0.133 8.158 8.300 0.276 0.175 0.509 198 K N -1.779 118.500 120.400 -0.201 0.000 2.059 198 K HA -0.509 nan 4.320 nan 0.000 0.212 198 K C 2.113 178.572 176.600 -0.234 0.000 1.050 198 K CA 3.704 59.831 56.287 -0.266 0.000 0.927 198 K CB -0.748 31.714 32.500 -0.063 0.000 0.714 198 K HN 0.448 8.748 8.250 0.082 0.000 0.447 199 N N -1.744 116.878 118.700 -0.130 0.000 2.244 199 N HA -0.227 nan 4.740 nan 0.000 0.183 199 N C 2.586 178.025 175.510 -0.118 0.000 1.016 199 N CA 2.709 55.698 53.050 -0.101 0.000 0.866 199 N CB -0.285 38.173 38.487 -0.050 0.000 0.980 199 N HN -0.669 7.664 8.380 -0.078 0.000 0.430 200 V N 1.862 121.699 119.914 -0.128 0.000 2.379 200 V HA -0.227 nan 4.120 nan 0.000 0.245 200 V C 1.349 177.318 176.094 -0.207 0.000 1.044 200 V CA 3.414 65.654 62.300 -0.101 0.000 1.036 200 V CB -0.298 31.527 31.823 0.003 0.000 0.664 200 V HN 0.079 8.093 8.190 -0.128 0.100 0.453 201 L N -0.191 120.811 121.223 -0.368 0.000 1.989 201 L HA -0.503 nan 4.340 nan 0.000 0.211 201 L C 1.504 178.167 176.870 -0.345 0.000 1.071 201 L CA 3.932 58.480 54.840 -0.487 0.000 0.749 201 L CB -0.327 41.289 42.059 -0.738 0.000 0.890 201 L HN 0.407 8.375 8.230 -0.437 0.000 0.431 202 D N -0.116 120.121 120.400 -0.271 0.000 2.103 202 D HA -0.375 nan 4.640 nan 0.000 0.190 202 D C 2.185 178.391 176.300 -0.157 0.000 0.997 202 D CA 3.239 57.125 54.000 -0.190 0.000 0.833 202 D CB -0.588 40.130 40.800 -0.137 0.000 0.961 202 D HN 0.352 8.440 8.370 -0.279 0.115 0.447 203 A N -2.079 120.660 122.820 -0.134 0.000 1.978 203 A HA -0.196 nan 4.320 nan 0.000 0.220 203 A C 1.522 179.040 177.584 -0.109 0.000 1.170 203 A CA 2.415 54.391 52.037 -0.100 0.000 0.636 203 A CB 0.118 19.075 19.000 -0.072 0.000 0.810 203 A HN -0.313 7.755 8.150 -0.137 0.000 0.448 204 T N -8.215 106.248 114.554 -0.153 0.000 2.990 204 T HA 0.195 nan 4.350 nan 0.000 0.249 204 T C 0.772 175.352 174.700 -0.199 0.000 1.039 204 T CA -0.681 61.322 62.100 -0.162 0.000 1.036 204 T CB 0.891 69.651 68.868 -0.179 0.000 0.994 204 T HN -0.457 7.547 8.240 -0.185 0.125 0.489 205 S N -0.267 115.288 115.700 -0.241 0.000 3.749 205 S HA -0.457 nan 4.470 nan 0.000 0.348 205 S C -0.632 173.789 174.600 -0.297 0.000 1.045 205 S CA 0.530 58.581 58.200 -0.249 0.000 1.051 205 S CB -1.095 62.002 63.200 -0.172 0.000 0.898 205 S HN 0.388 8.458 8.310 -0.244 0.093 0.472 206 R N 0.949 121.182 120.500 -0.444 0.000 2.679 206 R HA -0.175 nan 4.340 nan 0.000 0.268 206 R C -0.588 175.484 176.300 -0.380 0.000 1.044 206 R CA 0.231 55.985 56.100 -0.576 0.000 1.105 206 R CB 0.384 29.898 30.300 -1.310 0.000 0.989 206 R HN -0.662 7.307 8.270 -0.485 0.010 0.447 207 K N 1.320 121.621 120.400 -0.164 0.000 2.118 207 K HA 0.156 nan 4.320 nan 0.000 0.254 207 K C -0.121 176.691 176.600 0.354 0.000 0.961 207 K CA -1.936 54.448 56.287 0.162 0.000 0.876 207 K CB 1.076 33.646 32.500 0.117 0.000 1.077 207 K HN 0.068 8.197 8.250 -0.201 0.000 0.440 208 L N 1.278 122.785 121.223 0.474 0.000 1.976 208 L HA -0.321 nan 4.340 nan 0.000 0.223 208 L C 0.655 177.717 176.870 0.321 0.000 1.081 208 L CA 2.599 57.615 54.840 0.293 0.000 0.784 208 L CB 0.144 42.048 42.059 -0.258 0.000 0.896 208 L HN 0.234 8.788 8.230 0.539 0.000 0.438 209 G N -4.451 104.497 108.800 0.248 0.000 2.576 209 G HA2 -0.222 nan 3.960 nan 0.000 0.291 209 G HA3 -0.222 nan 3.960 nan 0.000 0.291 209 G C -1.245 173.716 174.900 0.103 0.000 0.782 209 G CA 0.191 45.410 45.100 0.198 0.000 1.886 209 G HN -0.120 8.313 8.290 0.239 0.000 0.493 210 F N 3.116 122.827 119.950 -0.398 0.000 2.672 210 F HA 0.284 nan 4.527 nan 0.000 0.311 210 F C -2.555 172.893 175.800 -0.587 0.000 1.113 210 F CA -1.447 56.307 58.000 -0.410 0.000 0.996 210 F CB 2.019 40.974 39.000 -0.075 0.000 1.286 210 F HN -0.072 8.008 8.300 -0.366 0.000 0.441 211 G N 0.088 108.536 108.800 -0.587 0.000 2.788 211 G HA2 0.709 nan 3.960 nan 0.000 0.293 211 G HA3 0.709 nan 3.960 nan 0.000 0.293 211 G C -2.585 172.266 174.900 -0.081 0.000 1.305 211 G CA -2.150 42.632 45.100 -0.531 0.000 1.005 211 G HN 0.716 8.882 8.290 -0.206 0.000 0.496 212 I N -0.301 120.226 120.570 -0.071 0.000 2.583 212 I HA 0.136 nan 4.170 nan 0.000 0.276 212 I C -1.174 174.927 176.117 -0.026 0.000 1.089 212 I CA -0.788 60.550 61.300 0.064 0.000 1.103 212 I CB 1.802 39.929 38.000 0.213 0.000 1.209 212 I HN -0.399 7.678 8.210 -0.222 0.000 0.484 213 A N 7.686 130.455 122.820 -0.085 0.000 2.346 213 A HA 0.381 nan 4.320 nan 0.000 0.252 213 A C -2.323 175.351 177.584 0.150 0.000 1.089 213 A CA -0.552 51.469 52.037 -0.027 0.000 0.797 213 A CB 1.353 20.196 19.000 -0.262 0.000 1.047 213 A HN 0.122 8.193 8.150 -0.133 0.000 0.494 214 Q N -1.425 118.572 119.800 0.329 0.000 2.429 214 Q HA 0.267 nan 4.340 nan 0.000 0.247 214 Q C -2.217 173.924 176.000 0.235 0.000 0.915 214 Q CA -0.036 55.980 55.803 0.354 0.000 0.971 214 Q CB 3.599 32.436 28.738 0.164 0.000 1.468 214 Q HN 0.552 9.068 8.270 0.410 0.000 0.439 215 I N 5.893 126.617 120.570 0.256 0.000 2.385 215 I HA 0.567 nan 4.170 nan 0.000 0.294 215 I C -0.713 175.405 176.117 0.001 0.000 0.988 215 I CA -1.462 59.835 61.300 -0.004 0.000 1.265 215 I CB 1.321 39.317 38.000 -0.008 0.000 1.388 215 I HN 0.596 9.067 8.210 0.436 0.000 0.480 216 G N 3.780 112.563 108.800 -0.028 0.000 2.523 216 G HA2 0.191 nan 3.960 nan 0.000 0.291 216 G HA3 0.191 nan 3.960 nan 0.000 0.291 216 G C -2.464 172.439 174.900 0.005 0.000 1.450 216 G CA -0.481 44.617 45.100 -0.003 0.000 0.790 216 G HN -0.436 7.821 8.290 -0.056 0.000 0.496 217 K N -0.389 120.034 120.400 0.038 0.000 2.319 217 K HA 0.461 nan 4.320 nan 0.000 0.265 217 K C -1.399 175.236 176.600 0.059 0.000 1.000 217 K CA 0.404 56.727 56.287 0.061 0.000 0.943 217 K CB 1.322 33.956 32.500 0.224 0.000 0.950 217 K HN 0.340 8.620 8.250 0.050 0.000 0.485 218 A N 0.995 123.742 122.820 -0.122 0.000 2.456 218 A HA 0.552 nan 4.320 nan 0.000 0.288 218 A C -2.344 174.912 177.584 -0.548 0.000 1.042 218 A CA -0.209 51.675 52.037 -0.256 0.000 0.738 218 A CB 2.740 21.472 19.000 -0.447 0.000 1.266 218 A HN 1.030 8.920 8.150 -0.292 0.085 0.407 219 F N 2.994 122.710 119.950 -0.389 0.000 2.421 219 F HA 0.652 nan 4.527 nan 0.000 0.337 219 F C -0.685 175.024 175.800 -0.151 0.000 1.105 219 F CA -2.094 55.802 58.000 -0.174 0.000 1.049 219 F CB 2.488 41.609 39.000 0.202 0.000 1.139 219 F HN 0.138 8.686 8.300 0.415 0.000 0.479 220 R N 2.718 123.256 120.500 0.063 0.000 2.549 220 R HA 0.074 nan 4.340 nan 0.000 0.291 220 R C -0.633 175.594 176.300 -0.121 0.000 1.164 220 R CA -0.434 55.691 56.100 0.043 0.000 0.973 220 R CB 3.173 33.696 30.300 0.371 0.000 1.210 220 R HN 0.824 9.026 8.270 0.094 0.124 0.422 221 N N 7.259 125.680 118.700 -0.465 0.000 2.938 221 N HA -0.150 nan 4.740 nan 0.000 0.286 221 N C -0.190 175.231 175.510 -0.149 0.000 1.316 221 N CA -0.388 52.354 53.050 -0.513 0.000 1.063 221 N CB -0.786 37.263 38.487 -0.731 0.000 1.388 221 N HN 0.594 8.672 8.380 -0.504 0.000 0.545 222 E N 0.680 120.868 120.200 -0.020 0.000 2.966 222 E HA -0.314 nan 4.350 nan 0.000 0.254 222 E C 0.667 177.300 176.600 0.054 0.000 0.923 222 E CA 0.522 56.949 56.400 0.045 0.000 0.960 222 E CB -0.392 29.359 29.700 0.085 0.000 0.901 222 E HN -0.303 7.978 8.360 0.010 0.085 0.525 223 I N 3.416 124.029 120.570 0.072 0.000 2.676 223 I HA -0.178 nan 4.170 nan 0.000 0.259 223 I C -0.864 175.305 176.117 0.087 0.000 1.194 223 I CA 0.391 61.751 61.300 0.101 0.000 1.473 223 I CB 0.371 38.470 38.000 0.164 0.000 1.096 223 I HN 0.251 8.505 8.210 0.074 0.000 0.443 224 T N -2.392 112.208 114.554 0.077 0.000 3.133 224 T HA 0.439 nan 4.350 nan 0.000 0.368 224 T C -2.782 171.961 174.700 0.072 0.000 1.190 224 T CA -3.542 58.599 62.100 0.068 0.000 1.282 224 T CB -0.003 68.899 68.868 0.056 0.000 1.042 224 T HN -0.289 7.956 8.240 0.076 0.040 0.536 225 P HA 0.140 nan 4.420 nan 0.000 0.276 225 P C -1.379 175.976 177.300 0.090 0.000 1.243 225 P CA -0.383 62.778 63.100 0.102 0.000 0.768 225 P CB 0.425 32.196 31.700 0.118 0.000 0.856 226 R N 4.306 124.853 120.500 0.079 0.000 2.393 226 R HA 0.263 nan 4.340 nan 0.000 0.315 226 R C -1.207 175.087 176.300 -0.010 0.000 0.952 226 R CA -1.059 55.060 56.100 0.033 0.000 0.842 226 R CB 1.774 32.077 30.300 0.004 0.000 1.163 226 R HN -0.217 8.108 8.270 0.092 0.000 0.450 227 N N 2.188 120.884 118.700 -0.008 0.000 2.537 227 N HA -0.505 nan 4.740 nan 0.000 0.302 227 N C -0.599 174.926 175.510 0.026 0.000 1.368 227 N CA 0.701 53.728 53.050 -0.039 0.000 0.666 227 N CB -0.577 37.824 38.487 -0.144 0.000 1.006 227 N HN 0.517 8.909 8.380 0.021 0.000 0.507 228 F N -0.252 119.650 119.950 -0.081 0.000 2.183 228 F HA -0.481 nan 4.527 nan 0.000 0.318 228 F C 0.212 175.854 175.800 -0.263 0.000 0.129 228 F CA 0.674 58.553 58.000 -0.202 0.000 0.912 228 F CB 0.015 38.888 39.000 -0.212 0.000 4.134 228 F HN 0.343 8.792 8.300 0.248 0.000 0.137 229 I N 2.561 122.481 120.570 -1.085 0.000 2.906 229 I HA -0.271 nan 4.170 nan 0.000 0.312 229 I C -2.178 173.691 176.117 -0.413 0.000 1.169 229 I CA 1.020 61.795 61.300 -0.875 0.000 2.267 229 I CB -1.838 35.458 38.000 -1.174 0.000 1.624 229 I HN -0.027 6.742 8.210 -2.400 0.000 1.067 230 F N 5.523 125.293 119.950 -0.300 0.000 2.056 230 F HA 0.289 nan 4.527 nan 0.000 0.210 230 F C -0.586 175.087 175.800 -0.210 0.000 1.238 230 F CA 0.080 57.905 58.000 -0.292 0.000 1.288 230 F CB 2.520 41.298 39.000 -0.369 0.000 1.811 230 F HN -0.016 8.269 8.300 0.019 0.027 0.251 231 R N 2.251 122.890 120.500 0.232 0.000 2.870 231 R HA 0.156 nan 4.340 nan 0.000 0.254 231 R C -1.217 175.136 176.300 0.088 0.000 1.392 231 R CA -0.909 55.243 56.100 0.086 0.000 1.322 231 R CB -1.079 29.314 30.300 0.156 0.000 1.205 231 R HN -0.106 8.396 8.270 0.386 0.000 0.597 232 V N -1.597 118.361 119.914 0.073 0.000 3.267 232 V HA 0.568 nan 4.120 nan 0.000 0.317 232 V C -0.381 175.886 176.094 0.288 0.000 1.131 232 V CA -2.794 59.621 62.300 0.193 0.000 1.031 232 V CB 1.877 33.844 31.823 0.241 0.000 1.159 232 V HN -0.383 7.752 8.190 -0.052 0.024 0.454 233 R N -2.006 118.641 120.500 0.244 0.000 2.210 233 R HA 0.112 nan 4.340 nan 0.000 0.203 233 R C 0.038 176.450 176.300 0.187 0.000 1.010 233 R CA 2.111 58.349 56.100 0.231 0.000 1.008 233 R CB 1.326 31.767 30.300 0.236 0.000 0.923 233 R HN 0.430 8.706 8.270 0.202 0.115 0.469 234 E N -1.106 119.159 120.200 0.109 0.000 2.216 234 E HA 0.462 nan 4.350 nan 0.000 0.260 234 E C -1.869 174.711 176.600 -0.033 0.000 0.880 234 E CA -0.614 55.649 56.400 -0.227 0.000 0.765 234 E CB 2.057 31.605 29.700 -0.252 0.000 1.174 234 E HN -0.871 7.600 8.360 0.185 0.000 0.417 235 F N 1.939 121.788 119.950 -0.169 0.000 2.745 235 F HA 0.823 nan 4.527 nan 0.000 0.316 235 F C -2.939 172.832 175.800 -0.049 0.000 1.155 235 F CA -1.719 56.245 58.000 -0.060 0.000 0.937 235 F CB 3.051 42.037 39.000 -0.024 0.000 1.361 235 F HN 0.530 8.366 8.300 -0.774 0.000 0.472 236 E N -3.114 117.222 120.200 0.226 0.000 2.369 236 E HA 0.861 nan 4.350 nan 0.000 0.270 236 E C -1.848 174.855 176.600 0.172 0.000 0.909 236 E CA -1.846 54.615 56.400 0.103 0.000 0.775 236 E CB 3.598 33.302 29.700 0.006 0.000 1.270 236 E HN 0.256 9.088 8.360 0.310 -0.287 0.445 237 Q N -2.121 117.725 119.800 0.077 0.000 2.320 237 Q HA 0.642 nan 4.340 nan 0.000 0.272 237 Q C -0.424 175.480 176.000 -0.159 0.000 1.023 237 Q CA -1.534 54.274 55.803 0.008 0.000 0.855 237 Q CB 4.009 32.832 28.738 0.141 0.000 1.367 237 Q HN 0.741 9.031 8.270 0.034 0.000 0.406 238 M N 1.002 120.356 119.600 -0.409 0.000 2.156 238 M HA 0.267 nan 4.480 nan 0.000 0.345 238 M C -0.933 175.068 176.300 -0.499 0.000 1.398 238 M CA -0.061 54.743 55.300 -0.827 0.000 1.148 238 M CB -0.481 30.866 32.600 -2.089 0.000 1.663 238 M HN 0.141 8.193 8.290 -0.397 0.000 0.464 239 E N 4.730 124.828 120.200 -0.170 0.000 2.207 239 E HA 0.692 nan 4.350 nan 0.000 0.270 239 E C -2.126 174.526 176.600 0.086 0.000 0.927 239 E CA -1.223 55.169 56.400 -0.013 0.000 0.799 239 E CB 3.920 33.597 29.700 -0.038 0.000 1.172 239 E HN 0.523 8.802 8.360 -0.136 0.000 0.404 240 I N 1.279 121.830 120.570 -0.032 0.000 2.608 240 I HA 0.173 nan 4.170 nan 0.000 0.295 240 I C -1.177 174.747 176.117 -0.322 0.000 1.049 240 I CA -1.314 59.871 61.300 -0.191 0.000 1.063 240 I CB 2.881 40.633 38.000 -0.414 0.000 1.248 240 I HN -0.241 7.927 8.210 -0.071 0.000 0.424 241 E N 5.317 125.278 120.200 -0.397 0.000 2.593 241 E HA 0.199 nan 4.350 nan 0.000 0.232 241 E C -1.621 174.456 176.600 -0.871 0.000 1.026 241 E CA -1.976 54.076 56.400 -0.581 0.000 0.772 241 E CB 0.079 29.402 29.700 -0.629 0.000 1.310 241 E HN 0.235 8.394 8.360 -0.336 0.000 0.413 242 Y N 4.996 124.815 120.300 -0.802 0.000 2.584 242 Y HA -0.178 nan 4.550 nan 0.000 0.351 242 Y C -1.354 174.129 175.900 -0.695 0.000 1.030 242 Y CA 0.347 58.032 58.100 -0.692 0.000 1.332 242 Y CB 0.343 38.464 38.460 -0.565 0.000 1.148 242 Y HN 0.215 8.200 8.280 -0.491 0.000 0.528 243 F N 7.550 127.171 119.950 -0.548 0.000 2.434 243 F HA 0.094 nan 4.527 nan 0.000 0.358 243 F C -1.193 174.447 175.800 -0.267 0.000 1.136 243 F CA 0.204 57.949 58.000 -0.426 0.000 1.157 243 F CB -1.330 37.281 39.000 -0.648 0.000 1.167 243 F HN -0.048 7.659 8.300 -0.987 0.000 0.539 244 V N 4.624 124.608 119.914 0.117 0.000 2.715 244 V HA 0.293 nan 4.120 nan 0.000 0.310 244 V C -1.016 175.239 176.094 0.269 0.000 1.054 244 V CA -2.471 59.965 62.300 0.226 0.000 0.928 244 V CB 3.880 35.930 31.823 0.377 0.000 1.007 244 V HN 0.924 9.085 8.190 0.147 0.117 0.437 245 R N 4.459 125.126 120.500 0.279 0.000 2.522 245 R HA 0.012 nan 4.340 nan 0.000 0.284 245 R C -0.772 175.596 176.300 0.113 0.000 1.032 245 R CA -0.651 55.628 56.100 0.298 0.000 1.049 245 R CB 0.092 30.520 30.300 0.212 0.000 0.956 245 R HN 0.344 8.790 8.270 0.294 0.000 0.422 246 P HA -0.306 nan 4.420 nan 0.000 0.224 246 P C 1.221 178.265 177.300 -0.428 0.000 1.130 246 P CA 3.261 66.001 63.100 -0.599 0.000 0.976 246 P CB -0.293 31.166 31.700 -0.401 0.000 0.781 247 G N -4.941 103.747 108.800 -0.186 0.000 2.418 247 G HA2 -0.205 nan 3.960 nan 0.000 0.217 247 G HA3 -0.205 nan 3.960 nan 0.000 0.217 247 G C 1.397 176.304 174.900 0.013 0.000 1.158 247 G CA 1.710 46.756 45.100 -0.090 0.000 0.771 247 G HN 0.059 8.254 8.290 -0.158 0.000 0.545 248 E N 0.183 120.440 120.200 0.095 0.000 2.516 248 E HA -0.162 nan 4.350 nan 0.000 0.199 248 E C 1.178 178.004 176.600 0.376 0.000 1.069 248 E CA 1.095 57.622 56.400 0.211 0.000 0.876 248 E CB -1.086 28.790 29.700 0.293 0.000 0.843 248 E HN -0.383 8.005 8.360 0.087 0.023 0.530 249 D N -0.171 120.428 120.400 0.332 0.000 2.092 249 D HA -0.437 nan 4.640 nan 0.000 0.193 249 D C 1.719 178.250 176.300 0.385 0.000 0.994 249 D CA 3.385 57.638 54.000 0.422 0.000 0.828 249 D CB -0.638 40.437 40.800 0.459 0.000 0.963 249 D HN -0.676 7.737 8.370 0.200 0.077 0.450 250 E N -0.744 119.625 120.200 0.283 0.000 2.187 250 E HA -0.415 nan 4.350 nan 0.000 0.199 250 E C 2.128 178.872 176.600 0.240 0.000 1.004 250 E CA 2.979 59.520 56.400 0.235 0.000 0.813 250 E CB -0.102 29.690 29.700 0.153 0.000 0.736 250 E HN 0.020 8.521 8.360 0.236 0.000 0.468 251 Y N -0.098 120.242 120.300 0.066 0.000 2.138 251 Y HA -0.299 nan 4.550 nan 0.000 0.286 251 Y C 1.395 177.321 175.900 0.043 0.000 1.115 251 Y CA 2.739 60.800 58.100 -0.065 0.000 1.105 251 Y CB 0.067 38.338 38.460 -0.315 0.000 1.004 251 Y HN -0.833 7.599 8.280 0.309 0.033 0.494 252 W N -1.973 119.370 121.300 0.071 0.000 2.305 252 W HA -0.549 nan 4.660 nan 0.000 0.308 252 W C 2.311 178.952 176.519 0.203 0.000 1.226 252 W CA 3.567 60.930 57.345 0.031 0.000 1.253 252 W CB -0.104 29.503 29.460 0.245 0.000 1.146 252 W HN -0.362 7.996 8.180 0.296 0.000 0.507 253 H N -1.127 118.145 119.070 0.336 0.000 2.387 253 H HA -0.361 nan 4.556 nan 0.000 0.299 253 H C 1.898 177.312 175.328 0.143 0.000 1.090 253 H CA 3.674 59.858 56.048 0.227 0.000 1.332 253 H CB 0.129 29.989 29.762 0.165 0.000 1.386 253 H HN 0.301 8.888 8.280 0.528 0.010 0.516 254 R N -0.796 119.768 120.500 0.106 0.000 2.075 254 R HA -0.248 nan 4.340 nan 0.000 0.226 254 R C 1.939 178.226 176.300 -0.022 0.000 1.114 254 R CA 2.633 58.712 56.100 -0.034 0.000 0.972 254 R CB -1.178 29.092 30.300 -0.050 0.000 0.869 254 R HN -0.547 7.681 8.270 0.124 0.116 0.437 255 Y N 2.155 122.285 120.300 -0.284 0.000 2.040 255 Y HA -0.487 nan 4.550 nan 0.000 0.275 255 Y C 1.631 177.420 175.900 -0.185 0.000 1.171 255 Y CA 2.577 60.445 58.100 -0.387 0.000 1.123 255 Y CB -0.479 37.633 38.460 -0.579 0.000 0.963 255 Y HN 0.135 8.142 8.280 -0.156 0.180 0.493 256 W N -3.566 117.570 121.300 -0.272 0.000 2.333 256 W HA -0.482 nan 4.660 nan 0.000 0.316 256 W C 2.197 178.601 176.519 -0.192 0.000 1.215 256 W CA 4.673 61.805 57.345 -0.355 0.000 1.278 256 W CB -0.253 29.104 29.460 -0.173 0.000 1.154 256 W HN 0.482 8.723 8.180 0.285 0.110 0.486 257 V N -1.293 118.729 119.914 0.179 0.000 2.317 257 V HA -0.649 nan 4.120 nan 0.000 0.251 257 V C 2.059 178.189 176.094 0.059 0.000 1.065 257 V CA 4.506 66.882 62.300 0.128 0.000 1.049 257 V CB -1.049 30.812 31.823 0.063 0.000 0.651 257 V HN -0.406 7.927 8.190 0.239 0.000 0.450 258 E N -0.755 119.432 120.200 -0.022 0.000 2.023 258 E HA -0.453 nan 4.350 nan 0.000 0.196 258 E C 1.953 178.511 176.600 -0.070 0.000 1.003 258 E CA 3.514 59.890 56.400 -0.040 0.000 0.809 258 E CB -0.079 29.588 29.700 -0.056 0.000 0.755 258 E HN 0.001 8.334 8.360 -0.039 0.003 0.449 259 E N 0.016 120.066 120.200 -0.250 0.000 2.038 259 E HA -0.321 nan 4.350 nan 0.000 0.195 259 E C 2.530 179.101 176.600 -0.049 0.000 1.000 259 E CA 2.723 58.955 56.400 -0.281 0.000 0.803 259 E CB -0.584 28.651 29.700 -0.775 0.000 0.750 259 E HN -0.071 8.040 8.360 -0.414 0.000 0.448 260 R N -1.229 119.292 120.500 0.035 0.000 2.117 260 R HA -0.311 nan 4.340 nan 0.000 0.243 260 R C 2.689 179.166 176.300 0.294 0.000 1.143 260 R CA 2.622 58.818 56.100 0.161 0.000 0.968 260 R CB -0.639 29.803 30.300 0.237 0.000 0.863 260 R HN 0.474 8.644 8.270 0.014 0.109 0.444 261 L N -0.333 121.039 121.223 0.249 0.000 2.056 261 L HA -0.197 nan 4.340 nan 0.000 0.207 261 L C 1.273 178.282 176.870 0.233 0.000 1.078 261 L CA 2.301 57.311 54.840 0.282 0.000 0.749 261 L CB -0.541 41.625 42.059 0.179 0.000 0.901 261 L HN -0.087 8.233 8.230 0.165 0.009 0.433 262 K N -0.722 119.766 120.400 0.147 0.000 2.032 262 K HA -0.451 nan 4.320 nan 0.000 0.209 262 K C 2.037 178.724 176.600 0.144 0.000 1.048 262 K CA 3.494 59.846 56.287 0.109 0.000 0.927 262 K CB -0.300 32.231 32.500 0.052 0.000 0.712 262 K HN -0.232 7.894 8.250 0.105 0.187 0.441 263 W N -0.368 120.906 121.300 -0.043 0.000 2.329 263 W HA -0.431 nan 4.660 nan 0.000 0.324 263 W C 1.895 178.401 176.519 -0.021 0.000 1.222 263 W CA 3.932 61.216 57.345 -0.102 0.000 1.270 263 W CB -0.132 29.181 29.460 -0.245 0.000 1.167 263 W HN 0.057 8.292 8.180 0.269 0.107 0.467 264 W N -3.639 117.796 121.300 0.226 0.000 2.313 264 W HA -0.627 nan 4.660 nan 0.000 0.293 264 W C 2.296 178.738 176.519 -0.128 0.000 1.216 264 W CA 3.152 60.496 57.345 -0.001 0.000 1.223 264 W CB -0.330 29.203 29.460 0.123 0.000 1.138 264 W HN -0.396 8.035 8.180 0.417 0.000 0.535 265 Q N -3.784 116.102 119.800 0.144 0.000 2.083 265 Q HA -0.351 nan 4.340 nan 0.000 0.198 265 Q C 2.985 178.979 176.000 -0.009 0.000 0.969 265 Q CA 3.024 58.867 55.803 0.067 0.000 0.838 265 Q CB -0.485 28.298 28.738 0.075 0.000 0.900 265 Q HN -0.432 7.923 8.270 0.185 0.026 0.436 266 E N 0.322 120.481 120.200 -0.068 0.000 2.265 266 E HA -0.272 nan 4.350 nan 0.000 0.196 266 E C 1.312 177.831 176.600 -0.136 0.000 0.996 266 E CA 2.567 58.911 56.400 -0.093 0.000 0.832 266 E CB -0.221 29.393 29.700 -0.143 0.000 0.756 266 E HN -0.206 8.034 8.360 -0.062 0.082 0.491 267 M N -6.262 113.177 119.600 -0.269 0.000 2.558 267 M HA -0.095 nan 4.480 nan 0.000 0.255 267 M C 0.674 176.931 176.300 -0.071 0.000 1.113 267 M CA -0.070 55.085 55.300 -0.242 0.000 1.097 267 M CB 0.247 32.575 32.600 -0.452 0.000 1.426 267 M HN -0.614 7.334 8.290 -0.309 0.157 0.488 268 G N -4.036 104.740 108.800 -0.040 0.000 2.624 268 G HA2 -0.232 nan 3.960 nan 0.000 0.190 268 G HA3 -0.232 nan 3.960 nan 0.000 0.190 268 G C -0.968 173.927 174.900 -0.009 0.000 1.008 268 G CA -0.533 44.558 45.100 -0.015 0.000 0.731 268 G HN -0.355 7.725 8.290 -0.045 0.183 0.478 269 L N 2.422 123.633 121.223 -0.020 0.000 2.500 269 L HA -0.129 nan 4.340 nan 0.000 0.272 269 L C -0.359 176.529 176.870 0.029 0.000 1.149 269 L CA 0.215 55.021 54.840 -0.056 0.000 0.897 269 L CB -0.328 41.629 42.059 -0.171 0.000 1.178 269 L HN -0.583 7.648 8.230 0.002 0.000 0.473 270 S N 3.316 119.055 115.700 0.065 0.000 2.549 270 S HA 0.017 nan 4.470 nan 0.000 0.283 270 S C 1.098 175.748 174.600 0.082 0.000 1.320 270 S CA -0.264 57.978 58.200 0.070 0.000 1.058 270 S CB 1.321 64.561 63.200 0.068 0.000 0.882 270 S HN 0.072 8.733 8.310 0.081 -0.302 0.498 271 R N 5.997 126.537 120.500 0.066 0.000 2.117 271 R HA -0.411 nan 4.340 nan 0.000 0.243 271 R C 2.074 178.410 176.300 0.060 0.000 1.143 271 R CA 2.984 59.124 56.100 0.067 0.000 0.968 271 R CB -0.639 29.693 30.300 0.054 0.000 0.863 271 R HN 0.760 9.063 8.270 0.056 0.000 0.444 272 E N -1.617 118.611 120.200 0.047 0.000 2.130 272 E HA -0.244 nan 4.350 nan 0.000 0.196 272 E C 1.121 177.732 176.600 0.019 0.000 0.998 272 E CA 2.752 59.168 56.400 0.027 0.000 0.806 272 E CB -0.804 28.906 29.700 0.017 0.000 0.738 272 E HN 0.347 8.719 8.360 0.046 0.015 0.459 273 N N -2.806 115.925 118.700 0.051 0.000 2.398 273 N HA 0.024 nan 4.740 nan 0.000 0.188 273 N C -1.397 174.161 175.510 0.080 0.000 1.122 273 N CA 0.392 53.453 53.050 0.019 0.000 0.866 273 N CB 0.804 39.348 38.487 0.094 0.000 0.970 273 N HN -0.192 8.093 8.380 0.085 0.146 0.462 274 L N -0.366 120.923 121.223 0.110 0.000 2.295 274 L HA 0.445 nan 4.340 nan 0.000 0.285 274 L C -2.039 174.873 176.870 0.070 0.000 1.035 274 L CA -0.122 54.784 54.840 0.109 0.000 0.806 274 L CB 1.620 43.746 42.059 0.111 0.000 1.214 274 L HN -0.477 7.627 8.230 0.093 0.182 0.426 275 V N -0.800 119.155 119.914 0.067 0.000 2.680 275 V HA 0.493 nan 4.120 nan 0.000 0.309 275 V C -2.751 173.406 176.094 0.105 0.000 1.052 275 V CA -3.902 58.440 62.300 0.071 0.000 0.908 275 V CB 1.616 33.468 31.823 0.048 0.000 1.001 275 V HN 0.964 9.087 8.190 0.070 0.109 0.431 276 P HA 0.412 nan 4.420 nan 0.000 0.201 276 P C -2.247 175.140 177.300 0.146 0.000 1.882 276 P CA -1.380 61.791 63.100 0.118 0.000 1.129 276 P CB -0.668 31.081 31.700 0.081 0.000 1.794 277 Y N 4.059 124.379 120.300 0.033 0.000 2.712 277 Y HA -0.263 nan 4.550 nan 0.000 0.333 277 Y C -1.317 174.599 175.900 0.026 0.000 1.225 277 Y CA 0.276 58.391 58.100 0.026 0.000 1.499 277 Y CB 1.090 39.567 38.460 0.028 0.000 1.288 277 Y HN -0.529 7.873 8.280 0.280 0.046 0.575 278 Q N 8.735 128.202 119.800 -0.555 0.000 2.425 278 Q HA 0.249 nan 4.340 nan 0.000 0.254 278 Q C -1.323 174.166 176.000 -0.851 0.000 1.032 278 Q CA -2.046 53.460 55.803 -0.496 0.000 0.798 278 Q CB 0.631 29.211 28.738 -0.264 0.000 1.210 278 Q HN 0.344 8.311 8.270 -0.504 0.000 0.491 279 Q N 5.528 124.907 119.800 -0.702 0.000 2.274 279 Q HA 0.082 nan 4.340 nan 0.000 0.280 279 Q C -1.919 173.924 176.000 -0.262 0.000 1.047 279 Q CA -1.856 53.647 55.803 -0.500 0.000 0.907 279 Q CB -1.151 27.512 28.738 -0.126 0.000 1.171 279 Q HN -0.203 7.811 8.270 -0.426 0.000 0.381 280 P HA 0.220 nan 4.420 nan 0.000 0.290 280 P C -0.876 176.393 177.300 -0.051 0.000 1.276 280 P CA -2.202 60.844 63.100 -0.090 0.000 0.808 280 P CB -0.762 30.909 31.700 -0.048 0.000 0.966 281 P HA -0.363 nan 4.420 nan 0.000 0.237 281 P C -0.148 177.132 177.300 -0.034 0.000 1.091 281 P CA 2.704 65.780 63.100 -0.040 0.000 1.015 281 P CB -0.215 31.467 31.700 -0.030 0.000 0.745 282 E N -2.826 117.362 120.200 -0.020 0.000 2.219 282 E HA -0.160 nan 4.350 nan 0.000 0.198 282 E C 1.085 177.682 176.600 -0.006 0.000 0.998 282 E CA 2.017 58.410 56.400 -0.011 0.000 0.818 282 E CB -0.013 29.689 29.700 0.002 0.000 0.741 282 E HN 0.480 8.808 8.360 -0.017 0.022 0.477 283 S N -2.641 113.058 115.700 -0.002 0.000 2.499 283 S HA 0.086 nan 4.470 nan 0.000 0.225 283 S C -0.550 174.036 174.600 -0.023 0.000 1.050 283 S CA 0.548 58.755 58.200 0.012 0.000 0.928 283 S CB 0.916 64.152 63.200 0.061 0.000 0.803 283 S HN 0.389 8.503 8.310 -0.011 0.190 0.506 284 S N 5.422 121.090 115.700 -0.054 0.000 3.007 284 S HA -0.272 nan 4.470 nan 0.000 0.312 284 S C -0.125 174.398 174.600 -0.129 0.000 1.068 284 S CA -0.235 57.906 58.200 -0.100 0.000 1.597 284 S CB -0.266 62.876 63.200 -0.096 0.000 1.495 284 S HN -0.842 7.343 8.310 -0.048 0.096 0.612 285 A N 7.514 130.247 122.820 -0.145 0.000 2.566 285 A HA -0.127 nan 4.320 nan 0.000 0.245 285 A C 0.610 178.066 177.584 -0.214 0.000 1.056 285 A CA 0.915 52.877 52.037 -0.125 0.000 0.757 285 A CB 0.422 19.396 19.000 -0.043 0.000 0.979 285 A HN 0.141 8.205 8.150 -0.126 0.011 0.508 286 H N 6.263 125.209 119.070 -0.206 0.000 1.497 286 H HA -0.435 nan 4.556 nan 0.000 0.099 286 H C 0.485 175.570 175.328 -0.404 0.000 1.162 286 H CA 3.115 59.014 56.048 -0.247 0.000 1.883 286 H CB -0.760 28.882 29.762 -0.200 0.000 2.239 286 H HN 0.673 8.963 8.280 0.017 0.000 0.955 287 Y N -6.568 113.286 120.300 -0.744 0.000 2.298 287 Y HA -0.303 nan 4.550 nan 0.000 0.287 287 Y C -1.134 174.500 175.900 -0.444 0.000 1.164 287 Y CA -0.010 57.469 58.100 -1.034 0.000 1.229 287 Y CB -1.198 36.632 38.460 -1.049 0.000 0.977 287 Y HN -0.279 8.010 8.280 0.014 0.000 0.538 288 A N -1.726 120.572 122.820 -0.870 0.000 2.276 288 A HA 0.068 nan 4.320 nan 0.000 0.300 288 A C -0.810 176.596 177.584 -0.297 0.000 1.235 288 A CA -0.871 50.826 52.037 -0.566 0.000 0.867 288 A CB 0.128 18.732 19.000 -0.661 0.000 1.137 288 A HN -0.399 7.047 8.150 -1.092 0.049 0.527 289 K N 4.344 124.636 120.400 -0.179 0.000 2.007 289 K HA -0.168 nan 4.320 nan 0.000 0.206 289 K C -0.432 176.140 176.600 -0.048 0.000 1.047 289 K CA 2.388 58.626 56.287 -0.082 0.000 0.937 289 K CB 0.899 33.387 32.500 -0.020 0.000 0.718 289 K HN -0.251 7.890 8.250 -0.181 0.000 0.438 290 A N -4.467 118.347 122.820 -0.010 0.000 2.527 290 A HA 0.514 nan 4.320 nan 0.000 0.293 290 A C -2.728 174.927 177.584 0.120 0.000 1.117 290 A CA -1.182 50.890 52.037 0.059 0.000 0.723 290 A CB 2.838 21.926 19.000 0.146 0.000 1.313 290 A HN -0.815 7.317 8.150 -0.029 0.000 0.411 291 T N -0.361 114.279 114.554 0.142 0.000 3.709 291 T HA 0.203 nan 4.350 nan 0.000 0.378 291 T C -2.257 172.499 174.700 0.092 0.000 1.352 291 T CA 0.381 62.586 62.100 0.175 0.000 1.144 291 T CB 1.709 70.577 68.868 -0.000 0.000 1.289 291 T HN 0.227 8.498 8.240 0.051 0.000 0.476 292 V N 7.261 127.265 119.914 0.151 0.000 2.394 292 V HA 0.652 nan 4.120 nan 0.000 0.282 292 V C -1.514 174.654 176.094 0.122 0.000 1.031 292 V CA -1.675 60.663 62.300 0.063 0.000 0.881 292 V CB 1.518 33.355 31.823 0.023 0.000 0.982 292 V HN 0.690 9.073 8.190 0.322 0.000 0.451 293 D N 5.751 126.232 120.400 0.134 0.000 2.177 293 D HA 0.457 nan 4.640 nan 0.000 0.247 293 D C -0.535 175.874 176.300 0.181 0.000 1.063 293 D CA -1.028 53.080 54.000 0.180 0.000 0.867 293 D CB 2.431 43.372 40.800 0.235 0.000 1.168 293 D HN 0.302 8.737 8.370 0.108 0.000 0.445 294 I N 2.987 123.656 120.570 0.166 0.000 2.282 294 I HA 0.122 nan 4.170 nan 0.000 0.290 294 I C -0.640 175.536 176.117 0.099 0.000 1.090 294 I CA -0.623 60.761 61.300 0.140 0.000 1.231 294 I CB -0.393 37.706 38.000 0.165 0.000 1.434 294 I HN 0.461 8.662 8.210 0.169 0.110 0.487 295 L N 6.636 127.926 121.223 0.112 0.000 2.417 295 L HA 0.354 nan 4.340 nan 0.000 0.268 295 L C -1.512 175.400 176.870 0.070 0.000 1.158 295 L CA -0.457 54.443 54.840 0.100 0.000 0.819 295 L CB 0.670 42.771 42.059 0.069 0.000 1.112 295 L HN 0.647 8.955 8.230 0.129 0.000 0.458 296 Y N 3.843 124.055 120.300 -0.148 0.000 2.425 296 Y HA 0.354 nan 4.550 nan 0.000 0.344 296 Y C -2.161 173.546 175.900 -0.322 0.000 0.969 296 Y CA -2.406 55.477 58.100 -0.361 0.000 1.052 296 Y CB 4.101 42.106 38.460 -0.758 0.000 1.215 296 Y HN 1.126 9.377 8.280 0.136 0.111 0.451 297 R N 8.032 127.951 120.500 -0.968 0.000 2.853 297 R HA -0.075 nan 4.340 nan 0.000 0.238 297 R C -0.716 175.040 176.300 -0.907 0.000 1.538 297 R CA -0.440 55.229 56.100 -0.719 0.000 1.166 297 R CB -1.673 28.327 30.300 -0.499 0.000 1.201 297 R HN -0.146 7.578 8.270 -0.909 0.000 0.606 298 F N 4.301 124.019 119.950 -0.387 0.000 2.440 298 F HA 0.117 nan 4.527 nan 0.000 0.323 298 F C -0.020 175.734 175.800 -0.076 0.000 1.192 298 F CA -1.292 56.680 58.000 -0.048 0.000 1.252 298 F CB -0.323 38.893 39.000 0.361 0.000 1.214 298 F HN -0.329 7.915 8.300 -0.053 0.024 0.578 299 P HA -0.159 nan 4.420 nan 0.000 0.226 299 P C -0.819 176.526 177.300 0.075 0.000 1.153 299 P CA 1.924 65.069 63.100 0.075 0.000 0.777 299 P CB 0.105 31.830 31.700 0.042 0.000 0.794 300 H N -6.572 112.479 119.070 -0.032 0.000 2.551 300 H HA 0.155 nan 4.556 nan 0.000 0.271 300 H C -0.209 175.049 175.328 -0.116 0.000 0.984 300 H CA -0.717 55.260 56.048 -0.119 0.000 1.164 300 H CB -0.075 29.550 29.762 -0.228 0.000 1.437 300 H HN -0.323 8.171 8.280 0.442 0.051 0.550 301 G N -0.272 108.325 108.800 -0.339 0.000 2.453 301 G HA2 -0.232 nan 3.960 nan 0.000 0.665 301 G HA3 -0.232 nan 3.960 nan 0.000 0.665 301 G C -2.304 172.445 174.900 -0.252 0.000 1.411 301 G CA -0.748 44.155 45.100 -0.329 0.000 0.889 301 G HN -0.331 7.681 8.290 -0.145 0.191 0.651 302 S N 1.554 117.151 115.700 -0.172 0.000 2.643 302 S HA -0.090 nan 4.470 nan 0.000 0.329 302 S C -0.373 174.213 174.600 -0.023 0.000 1.193 302 S CA 1.262 59.398 58.200 -0.107 0.000 1.293 302 S CB -0.282 62.843 63.200 -0.125 0.000 1.205 302 S HN 0.191 8.395 8.310 -0.176 0.000 0.550 303 L N 6.104 127.445 121.223 0.195 0.000 2.256 303 L HA 0.414 nan 4.340 nan 0.000 0.261 303 L C -1.105 176.001 176.870 0.393 0.000 1.022 303 L CA -1.846 53.163 54.840 0.281 0.000 0.828 303 L CB 4.604 46.828 42.059 0.275 0.000 1.374 303 L HN 0.110 8.561 8.230 0.369 0.000 0.436 304 E N -0.240 120.141 120.200 0.302 0.000 2.465 304 E HA -0.101 nan 4.350 nan 0.000 0.260 304 E C -1.009 175.740 176.600 0.249 0.000 0.980 304 E CA 1.347 57.886 56.400 0.231 0.000 0.927 304 E CB 0.452 30.253 29.700 0.168 0.000 0.934 304 E HN 0.215 8.727 8.360 0.253 0.000 0.459 305 L N 4.749 126.051 121.223 0.132 0.000 2.519 305 L HA 0.314 nan 4.340 nan 0.000 0.194 305 L C -1.177 175.699 176.870 0.011 0.000 1.072 305 L CA 0.619 55.451 54.840 -0.013 0.000 0.845 305 L CB 2.037 43.922 42.059 -0.291 0.000 1.138 305 L HN 0.260 8.557 8.230 0.113 0.000 0.487 306 E N -3.468 116.792 120.200 0.099 0.000 2.433 306 E HA 0.412 nan 4.350 nan 0.000 0.273 306 E C -1.906 174.803 176.600 0.182 0.000 0.950 306 E CA -1.348 55.182 56.400 0.217 0.000 0.796 306 E CB 4.099 34.075 29.700 0.459 0.000 1.330 306 E HN -0.752 7.659 8.360 0.086 0.000 0.455 307 G N 0.501 109.404 108.800 0.172 0.000 2.954 307 G HA2 0.472 nan 3.960 nan 0.000 0.290 307 G HA3 0.472 nan 3.960 nan 0.000 0.290 307 G C -1.387 173.597 174.900 0.140 0.000 1.574 307 G CA -0.067 45.125 45.100 0.153 0.000 1.088 307 G HN 0.552 8.944 8.290 0.170 0.000 0.557 308 I N 6.571 127.242 120.570 0.169 0.000 2.372 308 I HA -0.011 nan 4.170 nan 0.000 0.298 308 I C -1.551 174.663 176.117 0.161 0.000 1.137 308 I CA -0.191 61.209 61.300 0.167 0.000 1.314 308 I CB -1.625 36.535 38.000 0.266 0.000 1.444 308 I HN 0.223 8.547 8.210 0.189 0.000 0.541 309 A N 7.922 130.733 122.820 -0.015 0.000 2.242 309 A HA 0.666 nan 4.320 nan 0.000 0.304 309 A C -1.239 176.066 177.584 -0.465 0.000 1.100 309 A CA -1.384 50.568 52.037 -0.142 0.000 0.860 309 A CB 2.219 21.173 19.000 -0.076 0.000 1.168 309 A HN 0.570 8.715 8.150 -0.007 0.000 0.503 310 Q N -1.503 118.034 119.800 -0.438 0.000 3.048 310 Q HA 0.128 nan 4.340 nan 0.000 0.337 310 Q C -0.978 174.899 176.000 -0.204 0.000 0.845 310 Q CA -1.305 54.244 55.803 -0.422 0.000 0.942 310 Q CB 1.500 29.947 28.738 -0.485 0.000 1.454 310 Q HN -0.028 8.068 8.270 -0.290 0.000 0.392 311 R N 0.301 120.709 120.500 -0.153 0.000 2.817 311 R HA -0.120 nan 4.340 nan 0.000 0.264 311 R C 0.644 176.832 176.300 -0.187 0.000 1.009 311 R CA 1.574 57.614 56.100 -0.101 0.000 1.133 311 R CB 0.484 30.829 30.300 0.076 0.000 1.013 311 R HN -0.201 7.993 8.270 -0.127 0.000 0.453 312 T N -1.438 112.949 114.554 -0.279 0.000 3.252 312 T HA 0.028 nan 4.350 nan 0.000 0.233 312 T C -0.676 173.460 174.700 -0.940 0.000 0.975 312 T CA 2.312 63.977 62.100 -0.726 0.000 1.318 312 T CB 0.588 69.003 68.868 -0.755 0.000 1.014 312 T HN 0.063 8.195 8.240 -0.179 0.000 0.418 313 D N -1.485 118.586 120.400 -0.549 0.000 2.640 313 D HA -0.006 nan 4.640 nan 0.000 0.282 313 D C -0.045 176.156 176.300 -0.165 0.000 1.558 313 D CA -0.260 53.565 54.000 -0.291 0.000 0.820 313 D CB -0.296 40.431 40.800 -0.122 0.000 1.243 313 D HN -0.277 7.885 8.370 -0.347 0.000 0.456 314 F N 1.184 120.967 119.950 -0.278 0.000 2.186 314 F HA -0.347 nan 4.527 nan 0.000 0.299 314 F C -0.139 175.500 175.800 -0.269 0.000 1.090 314 F CA 4.090 61.945 58.000 -0.242 0.000 1.307 314 F CB 0.374 39.227 39.000 -0.245 0.000 1.019 314 F HN -0.273 7.942 8.300 -0.025 0.070 0.489 315 D N -0.036 120.009 120.400 -0.591 0.000 2.083 315 D HA -0.248 nan 4.640 nan 0.000 0.199 315 D C 2.385 178.398 176.300 -0.479 0.000 0.980 315 D CA 3.568 57.102 54.000 -0.777 0.000 0.851 315 D CB -0.810 39.187 40.800 -1.339 0.000 0.997 315 D HN -0.091 8.106 8.370 -0.288 0.000 0.449 316 L N -0.822 120.212 121.223 -0.315 0.000 2.129 316 L HA -0.277 nan 4.340 nan 0.000 0.212 316 L C 2.695 179.489 176.870 -0.127 0.000 1.087 316 L CA 2.639 57.401 54.840 -0.131 0.000 0.757 316 L CB -0.309 41.658 42.059 -0.153 0.000 0.896 316 L HN -0.032 7.999 8.230 -0.332 0.000 0.434 317 G N -1.543 107.132 108.800 -0.209 0.000 2.484 317 G HA2 -0.347 nan 3.960 nan 0.000 0.215 317 G HA3 -0.347 nan 3.960 nan 0.000 0.215 317 G C 1.152 175.899 174.900 -0.254 0.000 1.219 317 G CA 1.874 46.862 45.100 -0.187 0.000 0.791 317 G HN -0.410 7.715 8.290 -0.251 0.014 0.550 318 S N 0.268 115.690 115.700 -0.462 0.000 2.488 318 S HA -0.303 nan 4.470 nan 0.000 0.246 318 S C 0.586 174.901 174.600 -0.476 0.000 0.992 318 S CA 2.549 60.441 58.200 -0.512 0.000 0.963 318 S CB 0.056 62.748 63.200 -0.846 0.000 0.754 318 S HN -0.130 7.683 8.310 -0.638 0.114 0.519 319 H N -3.839 115.086 119.070 -0.242 0.000 2.893 319 H HA 0.319 nan 4.556 nan 0.000 0.270 319 H C -1.343 173.908 175.328 -0.128 0.000 1.095 319 H CA -0.208 55.738 56.048 -0.170 0.000 1.186 319 H CB 1.545 31.260 29.762 -0.078 0.000 1.562 319 H HN -0.605 7.356 8.280 -0.184 0.208 0.536 320 T N -0.509 114.032 114.554 -0.022 0.000 2.927 320 T HA 0.266 nan 4.350 nan 0.000 0.281 320 T C -1.222 173.453 174.700 -0.042 0.000 0.998 320 T CA -1.578 60.518 62.100 -0.006 0.000 1.019 320 T CB 1.416 70.292 68.868 0.013 0.000 1.061 320 T HN -0.157 7.921 8.240 -0.078 0.115 0.518 321 K N 3.389 123.775 120.400 -0.024 0.000 2.144 321 K HA 0.000 nan 4.320 nan 0.000 0.270 321 K C -0.877 175.695 176.600 -0.047 0.000 1.005 321 K CA 0.019 56.281 56.287 -0.042 0.000 0.932 321 K CB 0.858 33.338 32.500 -0.035 0.000 1.021 321 K HN 0.002 8.252 8.250 -0.000 0.000 0.462 322 D N -0.700 119.667 120.400 -0.055 0.000 2.772 322 D HA -0.251 nan 4.640 nan 0.000 0.233 322 D C 1.127 177.406 176.300 -0.036 0.000 1.143 322 D CA 1.415 55.383 54.000 -0.054 0.000 0.700 322 D CB -1.767 38.984 40.800 -0.081 0.000 1.076 322 D HN 0.323 8.659 8.370 -0.057 0.000 0.430 323 Q N -3.185 116.594 119.800 -0.034 0.000 2.152 323 Q HA -0.483 nan 4.340 nan 0.000 0.206 323 Q C 0.936 176.935 176.000 -0.002 0.000 0.985 323 Q CA 2.819 58.611 55.803 -0.019 0.000 0.863 323 Q CB -0.828 27.884 28.738 -0.042 0.000 0.904 323 Q HN -0.058 8.165 8.270 -0.047 0.018 0.422 324 E N -0.760 119.434 120.200 -0.009 0.000 2.058 324 E HA -0.291 nan 4.350 nan 0.000 0.194 324 E C 0.276 176.882 176.600 0.010 0.000 0.997 324 E CA 2.032 58.433 56.400 0.002 0.000 0.801 324 E CB -1.417 28.280 29.700 -0.005 0.000 0.746 324 E HN -0.060 8.284 8.360 -0.020 0.004 0.450 325 A N -1.385 121.433 122.820 -0.004 0.000 2.015 325 A HA -0.124 nan 4.320 nan 0.000 0.219 325 A C 0.408 178.012 177.584 0.032 0.000 1.163 325 A CA 1.210 53.245 52.037 -0.003 0.000 0.646 325 A CB 0.345 19.319 19.000 -0.044 0.000 0.806 325 A HN -0.504 7.540 8.150 -0.018 0.095 0.448 326 L N -1.813 119.434 121.223 0.040 0.000 2.349 326 L HA 0.009 nan 4.340 nan 0.000 0.275 326 L C 1.164 178.094 176.870 0.099 0.000 1.115 326 L CA -0.815 54.080 54.840 0.092 0.000 0.820 326 L CB 0.673 42.785 42.059 0.088 0.000 1.135 326 L HN -0.403 7.692 8.230 0.018 0.146 0.445 327 G N 3.749 112.633 108.800 0.140 0.000 3.392 327 G HA2 -0.099 nan 3.960 nan 0.000 0.247 327 G HA3 -0.099 nan 3.960 nan 0.000 0.247 327 G C -0.313 174.670 174.900 0.139 0.000 1.161 327 G CA -0.702 44.477 45.100 0.131 0.000 1.739 327 G HN 0.571 8.968 8.290 0.179 0.000 0.619 328 I N -1.968 118.668 120.570 0.110 0.000 2.815 328 I HA -0.186 nan 4.170 nan 0.000 0.291 328 I C 0.529 176.711 176.117 0.109 0.000 1.209 328 I CA 0.503 61.865 61.300 0.103 0.000 1.431 328 I CB -0.598 37.428 38.000 0.044 0.000 1.351 328 I HN -0.463 7.712 8.210 0.088 0.088 0.585 329 T N 1.961 116.594 114.554 0.130 0.000 3.003 329 T HA 0.185 nan 4.350 nan 0.000 0.261 329 T C 0.010 174.770 174.700 0.099 0.000 1.003 329 T CA -0.518 61.658 62.100 0.128 0.000 0.917 329 T CB 0.543 69.524 68.868 0.188 0.000 1.084 329 T HN 0.210 8.956 8.240 0.141 -0.422 0.522 330 A N 1.537 124.405 122.820 0.081 0.000 2.269 330 A HA 0.216 nan 4.320 nan 0.000 0.319 330 A C -0.752 176.903 177.584 0.119 0.000 1.110 330 A CA -1.763 50.328 52.037 0.091 0.000 0.847 330 A CB 1.584 20.646 19.000 0.104 0.000 1.161 330 A HN -0.724 7.564 8.150 0.072 -0.095 0.497 331 R N 1.268 121.861 120.500 0.154 0.000 3.247 331 R HA -0.010 nan 4.340 nan 0.000 0.212 331 R C -0.704 175.718 176.300 0.205 0.000 1.604 331 R CA -0.173 56.032 56.100 0.175 0.000 1.279 331 R CB -1.494 28.942 30.300 0.226 0.000 1.277 331 R HN 0.296 8.655 8.270 0.147 0.000 0.669 332 V N -2.517 117.466 119.914 0.115 0.000 2.509 332 V HA 0.208 nan 4.120 nan 0.000 0.284 332 V C -0.706 175.402 176.094 0.022 0.000 1.047 332 V CA -1.756 60.556 62.300 0.019 0.000 0.952 332 V CB 0.799 32.559 31.823 -0.105 0.000 0.988 332 V HN -0.351 7.851 8.190 0.085 0.039 0.469 333 L N -0.373 120.859 121.223 0.016 0.000 2.397 333 L HA 0.312 nan 4.340 nan 0.000 0.271 333 L C 0.080 176.987 176.870 0.062 0.000 1.148 333 L CA -0.371 54.496 54.840 0.045 0.000 0.825 333 L CB 0.925 43.002 42.059 0.030 0.000 1.117 333 L HN -0.093 8.130 8.230 -0.013 0.000 0.456 334 R N 1.181 121.724 120.500 0.072 0.000 2.561 334 R HA -0.259 nan 4.340 nan 0.000 0.347 334 R C -0.402 175.968 176.300 0.117 0.000 0.916 334 R CA 0.486 56.622 56.100 0.060 0.000 1.063 334 R CB -0.171 30.162 30.300 0.054 0.000 0.916 334 R HN 0.158 8.468 8.270 0.067 0.000 0.410 335 N N 6.133 124.812 118.700 -0.034 0.000 3.034 335 N HA -0.022 nan 4.740 nan 0.000 0.265 335 N C -0.536 174.852 175.510 -0.204 0.000 1.166 335 N CA -1.423 51.450 53.050 -0.294 0.000 1.081 335 N CB -0.160 37.994 38.487 -0.556 0.000 1.378 335 N HN 0.223 8.709 8.380 -0.070 -0.148 0.520 336 E N 4.521 124.691 120.200 -0.050 0.000 2.346 336 E HA 0.016 nan 4.350 nan 0.000 0.317 336 E C -0.559 175.856 176.600 -0.309 0.000 1.404 336 E CA 0.097 56.416 56.400 -0.135 0.000 1.534 336 E CB -1.769 27.861 29.700 -0.116 0.000 1.309 336 E HN -0.127 8.270 8.360 0.125 0.038 0.499 337 H N -0.085 118.947 119.070 -0.064 0.000 1.791 337 H HA 0.020 nan 4.556 nan 0.000 0.134 337 H C 0.051 175.365 175.328 -0.022 0.000 1.063 337 H CA -0.040 56.003 56.048 -0.007 0.000 0.847 337 H CB 1.759 31.578 29.762 0.094 0.000 0.609 337 H HN 0.026 8.179 8.280 -0.116 0.057 0.298 338 S N 1.322 117.052 115.700 0.050 0.000 2.554 338 S HA -0.097 nan 4.470 nan 0.000 0.290 338 S C 0.896 175.517 174.600 0.034 0.000 1.309 338 S CA 0.082 58.306 58.200 0.041 0.000 1.047 338 S CB 0.975 64.175 63.200 0.001 0.000 0.828 338 S HN -0.005 8.410 8.310 -0.070 -0.147 0.509 339 T N 2.581 117.159 114.554 0.040 0.000 4.128 339 T HA -0.052 nan 4.350 nan 0.000 0.196 339 T C -0.500 174.205 174.700 0.009 0.000 0.785 339 T CA -0.054 62.060 62.100 0.025 0.000 2.485 339 T CB -0.147 68.736 68.868 0.024 0.000 1.654 339 T HN -0.006 8.264 8.240 0.050 0.000 0.306 340 Q N 0.052 119.857 119.800 0.009 0.000 2.540 340 Q HA -0.124 nan 4.340 nan 0.000 0.256 340 Q C -0.559 175.451 176.000 0.016 0.000 1.084 340 Q CA 0.239 56.045 55.803 0.006 0.000 0.956 340 Q CB 0.104 28.846 28.738 0.007 0.000 1.303 340 Q HN -0.145 8.132 8.270 0.012 0.000 0.509 341 R N 0.383 120.894 120.500 0.017 0.000 2.248 341 R HA -0.052 nan 4.340 nan 0.000 0.337 341 R C 0.203 176.569 176.300 0.110 0.000 1.085 341 R CA -0.488 55.635 56.100 0.039 0.000 0.934 341 R CB -0.060 30.240 30.300 0.001 0.000 1.034 341 R HN 0.324 8.598 8.270 0.006 0.000 0.465 342 L N 8.168 129.464 121.223 0.123 0.000 2.933 342 L HA -0.117 nan 4.340 nan 0.000 0.258 342 L C -1.693 175.340 176.870 0.273 0.000 1.253 342 L CA -0.576 54.391 54.840 0.212 0.000 1.096 342 L CB -1.231 40.920 42.059 0.153 0.000 1.432 342 L HN 0.098 8.377 8.230 0.082 0.000 0.418 343 A N -1.796 121.202 122.820 0.296 0.000 2.356 343 A HA 0.317 nan 4.320 nan 0.000 0.323 343 A C -2.055 175.771 177.584 0.402 0.000 1.119 343 A CA -1.423 50.812 52.037 0.330 0.000 0.790 343 A CB 2.627 21.830 19.000 0.339 0.000 1.273 343 A HN -0.398 7.794 8.150 0.265 0.117 0.452 344 Y N 2.237 122.592 120.300 0.092 0.000 2.340 344 Y HA 0.005 nan 4.550 nan 0.000 0.327 344 Y C -0.953 174.734 175.900 -0.355 0.000 1.321 344 Y CA 0.531 58.563 58.100 -0.113 0.000 1.433 344 Y CB 2.673 40.948 38.460 -0.309 0.000 1.373 344 Y HN -0.437 7.946 8.280 0.172 0.000 0.538 345 R N -0.290 120.024 120.500 -0.310 0.000 2.769 345 R HA 0.045 nan 4.340 nan 0.000 0.191 345 R C -1.544 174.694 176.300 -0.103 0.000 0.881 345 R CA 0.778 56.538 56.100 -0.566 0.000 1.133 345 R CB 0.995 30.276 30.300 -1.699 0.000 1.607 345 R HN 0.312 8.030 8.270 -0.920 0.000 0.613 346 D N 0.057 120.492 120.400 0.058 0.000 2.468 346 D HA 0.311 nan 4.640 nan 0.000 0.218 346 D C -0.288 176.205 176.300 0.323 0.000 1.155 346 D CA -3.333 50.750 54.000 0.138 0.000 0.924 346 D CB 1.066 41.862 40.800 -0.006 0.000 1.029 346 D HN -0.351 7.939 8.370 -0.134 0.000 0.515 347 P HA 0.133 nan 4.420 nan 0.000 0.227 347 P C -1.308 176.004 177.300 0.019 0.000 1.801 347 P CA -0.700 62.434 63.100 0.058 0.000 0.971 347 P CB -1.617 29.955 31.700 -0.212 0.000 1.653 348 E N -3.900 116.333 120.200 0.055 0.000 3.916 348 E HA -0.416 nan 4.350 nan 0.000 0.331 348 E C -1.176 175.430 176.600 0.010 0.000 0.729 348 E CA 1.084 57.500 56.400 0.027 0.000 1.222 348 E CB -1.950 27.759 29.700 0.015 0.000 1.633 348 E HN 0.294 8.662 8.360 0.100 0.053 0.437 349 T N -4.361 110.199 114.554 0.009 0.000 2.405 349 T HA 0.372 nan 4.350 nan 0.000 0.197 349 T C -0.772 173.929 174.700 0.003 0.000 0.784 349 T CA -0.677 61.427 62.100 0.007 0.000 1.262 349 T CB 1.868 70.738 68.868 0.004 0.000 2.105 349 T HN -0.135 8.083 8.240 0.018 0.033 0.474 350 G N -1.075 107.738 108.800 0.021 0.000 4.165 350 G HA2 0.108 nan 3.960 nan 0.000 0.287 350 G HA3 0.108 nan 3.960 nan 0.000 0.287 350 G C -1.910 173.041 174.900 0.085 0.000 1.019 350 G CA -0.192 44.911 45.100 0.004 0.000 0.806 350 G HN -0.157 8.157 8.290 0.040 0.000 0.447 351 K N 1.955 122.421 120.400 0.110 0.000 2.363 351 K HA -0.088 nan 4.320 nan 0.000 0.289 351 K C -0.636 176.184 176.600 0.367 0.000 1.063 351 K CA -1.408 55.006 56.287 0.212 0.000 0.967 351 K CB -0.271 32.286 32.500 0.094 0.000 0.987 351 K HN -0.363 7.924 8.250 0.062 0.000 0.473 352 W N 6.057 127.521 121.300 0.273 0.000 2.303 352 W HA -0.184 nan 4.660 nan 0.000 0.318 352 W C -0.652 176.116 176.519 0.414 0.000 1.362 352 W CA 0.602 58.132 57.345 0.309 0.000 1.234 352 W CB 0.582 30.142 29.460 0.167 0.000 1.248 352 W HN -0.079 8.506 8.180 0.675 0.000 0.546 353 F N -1.445 118.687 119.950 0.304 0.000 2.588 353 F HA 0.398 nan 4.527 nan 0.000 0.314 353 F C -2.381 173.556 175.800 0.227 0.000 1.134 353 F CA -1.973 56.162 58.000 0.225 0.000 0.961 353 F CB 2.327 41.409 39.000 0.137 0.000 1.239 353 F HN -0.209 8.299 8.300 0.347 0.000 0.448 354 V N 3.999 124.031 119.914 0.196 0.000 2.521 354 V HA 0.025 nan 4.120 nan 0.000 0.286 354 V C -1.147 175.008 176.094 0.101 0.000 1.034 354 V CA -1.374 60.968 62.300 0.071 0.000 1.045 354 V CB -0.998 30.886 31.823 0.101 0.000 0.974 354 V HN 0.422 8.787 8.190 0.291 0.000 0.480 355 P HA 0.255 nan 4.420 nan 0.000 0.273 355 P C -1.908 175.592 177.300 0.334 0.000 1.250 355 P CA -0.423 62.738 63.100 0.102 0.000 0.793 355 P CB 0.972 32.660 31.700 -0.020 0.000 1.011 356 Y N -2.408 117.951 120.300 0.098 0.000 2.480 356 Y HA 0.357 nan 4.550 nan 0.000 0.323 356 Y C -0.503 175.418 175.900 0.035 0.000 1.267 356 Y CA -1.364 56.787 58.100 0.085 0.000 1.336 356 Y CB 2.757 41.294 38.460 0.128 0.000 1.361 356 Y HN 0.488 8.923 8.280 0.437 0.107 0.518 357 V N -0.634 119.325 119.914 0.076 0.000 2.777 357 V HA 0.454 nan 4.120 nan 0.000 0.306 357 V C -2.079 173.964 176.094 -0.086 0.000 1.112 357 V CA -2.013 60.243 62.300 -0.073 0.000 0.917 357 V CB 3.332 35.053 31.823 -0.169 0.000 1.018 357 V HN -0.204 7.995 8.190 0.016 0.000 0.426 358 I N 8.528 129.022 120.570 -0.126 0.000 2.354 358 I HA 0.275 nan 4.170 nan 0.000 0.292 358 I C -2.215 173.715 176.117 -0.312 0.000 0.989 358 I CA -1.824 59.358 61.300 -0.198 0.000 1.188 358 I CB 2.367 40.304 38.000 -0.105 0.000 1.342 358 I HN 0.472 8.603 8.210 -0.133 0.000 0.457 359 E N 8.506 128.560 120.200 -0.243 0.000 2.141 359 E HA 0.514 nan 4.350 nan 0.000 0.259 359 E C -2.653 173.856 176.600 -0.153 0.000 0.883 359 E CA -3.672 52.612 56.400 -0.192 0.000 0.744 359 E CB 2.829 32.518 29.700 -0.018 0.000 1.150 359 E HN 0.123 8.238 8.360 -0.229 0.108 0.420 360 P HA 0.216 nan 4.420 nan 0.000 0.284 360 P C -2.017 175.283 177.300 0.001 0.000 1.432 360 P CA -0.523 62.524 63.100 -0.088 0.000 0.929 360 P CB -0.006 31.588 31.700 -0.176 0.000 1.158 361 S N 5.734 121.469 115.700 0.059 0.000 2.429 361 S HA 0.464 nan 4.470 nan 0.000 0.302 361 S C -1.980 172.684 174.600 0.107 0.000 1.115 361 S CA -1.477 56.767 58.200 0.073 0.000 1.095 361 S CB 0.621 63.881 63.200 0.101 0.000 0.987 361 S HN -0.257 8.097 8.310 0.075 0.000 0.474 362 A N 6.294 129.158 122.820 0.073 0.000 2.343 362 A HA 0.691 nan 4.320 nan 0.000 0.308 362 A C -1.847 175.774 177.584 0.062 0.000 1.092 362 A CA -1.650 50.471 52.037 0.140 0.000 0.751 362 A CB 3.382 22.546 19.000 0.274 0.000 1.203 362 A HN -0.029 8.119 8.150 -0.003 0.000 0.452 363 G N 1.738 110.569 108.800 0.051 0.000 2.380 363 G HA2 0.112 nan 3.960 nan 0.000 0.262 363 G HA3 0.112 nan 3.960 nan 0.000 0.262 363 G C 0.139 175.062 174.900 0.038 0.000 1.243 363 G CA -0.332 44.765 45.100 -0.005 0.000 0.865 363 G HN -0.226 8.094 8.290 0.051 0.000 0.513 364 V N 4.871 124.805 119.914 0.033 0.000 2.427 364 V HA -0.418 nan 4.120 nan 0.000 0.248 364 V C 1.739 177.870 176.094 0.062 0.000 1.051 364 V CA 3.708 66.031 62.300 0.038 0.000 1.048 364 V CB -0.290 31.519 31.823 -0.022 0.000 0.666 364 V HN 0.576 8.692 8.190 0.048 0.102 0.456 365 D N -0.893 119.536 120.400 0.048 0.000 2.123 365 D HA -0.260 nan 4.640 nan 0.000 0.200 365 D C 2.254 178.503 176.300 -0.084 0.000 0.976 365 D CA 3.952 57.983 54.000 0.053 0.000 0.831 365 D CB -0.588 40.239 40.800 0.045 0.000 0.974 365 D HN -0.587 7.813 8.370 0.049 0.000 0.469 366 R N -0.599 119.788 120.500 -0.188 0.000 2.092 366 R HA -0.172 nan 4.340 nan 0.000 0.231 366 R C 2.405 178.682 176.300 -0.038 0.000 1.119 366 R CA 2.603 58.553 56.100 -0.249 0.000 0.970 366 R CB -0.525 29.555 30.300 -0.367 0.000 0.864 366 R HN 0.097 8.256 8.270 -0.186 0.000 0.440 367 G N -0.772 108.023 108.800 -0.008 0.000 2.418 367 G HA2 -0.272 nan 3.960 nan 0.000 0.217 367 G HA3 -0.272 nan 3.960 nan 0.000 0.217 367 G C 1.223 176.176 174.900 0.088 0.000 1.158 367 G CA 2.288 47.403 45.100 0.024 0.000 0.771 367 G HN -0.221 8.085 8.290 0.028 0.000 0.545 368 V N 3.540 123.523 119.914 0.114 0.000 2.343 368 V HA -0.370 nan 4.120 nan 0.000 0.247 368 V C 1.775 177.914 176.094 0.076 0.000 1.051 368 V CA 3.587 65.958 62.300 0.117 0.000 1.036 368 V CB -0.738 31.185 31.823 0.166 0.000 0.654 368 V HN -0.533 7.639 8.190 0.108 0.083 0.451 369 L N -1.250 120.012 121.223 0.064 0.000 2.083 369 L HA -0.424 nan 4.340 nan 0.000 0.209 369 L C 1.744 178.761 176.870 0.246 0.000 1.083 369 L CA 3.113 58.038 54.840 0.142 0.000 0.752 369 L CB -0.776 41.368 42.059 0.142 0.000 0.899 369 L HN -0.098 8.080 8.230 0.027 0.068 0.433 370 A N -0.032 122.874 122.820 0.143 0.000 1.835 370 A HA -0.368 nan 4.320 nan 0.000 0.215 370 A C 1.824 179.303 177.584 -0.175 0.000 1.199 370 A CA 3.385 55.299 52.037 -0.206 0.000 0.615 370 A CB -0.903 17.692 19.000 -0.676 0.000 0.838 370 A HN 0.358 8.362 8.150 0.110 0.212 0.444 371 L N -2.316 118.844 121.223 -0.104 0.000 2.042 371 L HA -0.486 nan 4.340 nan 0.000 0.210 371 L C 2.550 179.433 176.870 0.022 0.000 1.076 371 L CA 3.000 57.821 54.840 -0.031 0.000 0.749 371 L CB -0.497 41.585 42.059 0.039 0.000 0.893 371 L HN 0.109 8.296 8.230 -0.071 0.000 0.432 372 L N -2.154 119.092 121.223 0.039 0.000 2.017 372 L HA -0.496 nan 4.340 nan 0.000 0.208 372 L C 2.003 178.951 176.870 0.130 0.000 1.073 372 L CA 3.077 57.937 54.840 0.033 0.000 0.745 372 L CB -0.687 41.368 42.059 -0.006 0.000 0.894 372 L HN 0.230 8.379 8.230 0.044 0.106 0.432 373 A N -1.067 121.861 122.820 0.180 0.000 1.851 373 A HA -0.413 nan 4.320 nan 0.000 0.216 373 A C 2.153 179.857 177.584 0.199 0.000 1.195 373 A CA 3.221 55.389 52.037 0.219 0.000 0.622 373 A CB -1.009 18.188 19.000 0.328 0.000 0.831 373 A HN 0.324 8.471 8.150 0.179 0.110 0.444 374 E N -0.709 119.610 120.200 0.197 0.000 2.160 374 E HA -0.306 nan 4.350 nan 0.000 0.195 374 E C 1.742 178.415 176.600 0.123 0.000 0.991 374 E CA 2.298 58.800 56.400 0.169 0.000 0.810 374 E CB -0.120 29.646 29.700 0.110 0.000 0.742 374 E HN -0.052 8.417 8.360 0.181 0.000 0.466 375 A N -1.875 121.013 122.820 0.112 0.000 1.903 375 A HA -0.087 nan 4.320 nan 0.000 0.213 375 A C 0.360 178.026 177.584 0.136 0.000 1.185 375 A CA 0.567 52.657 52.037 0.088 0.000 0.628 375 A CB 0.478 19.503 19.000 0.041 0.000 0.830 375 A HN -0.518 7.570 8.150 0.109 0.127 0.446 376 F N 1.381 121.330 119.950 -0.002 0.000 2.514 376 F HA -0.307 nan 4.527 nan 0.000 0.399 376 F C -1.015 174.788 175.800 0.005 0.000 1.011 376 F CA 0.663 58.661 58.000 -0.004 0.000 1.109 376 F CB -0.322 38.677 39.000 -0.001 0.000 0.980 376 F HN -0.458 8.013 8.300 0.284 0.000 0.538 377 T N 6.357 121.067 114.554 0.261 0.000 2.912 377 T HA 0.400 nan 4.350 nan 0.000 0.299 377 T C -1.913 172.874 174.700 0.145 0.000 1.052 377 T CA -1.730 60.506 62.100 0.227 0.000 0.996 377 T CB 3.426 72.354 68.868 0.101 0.000 1.070 377 T HN 0.673 8.913 8.240 0.000 0.000 0.465 378 R N 2.243 122.846 120.500 0.171 0.000 2.407 378 R HA 0.648 nan 4.340 nan 0.000 0.303 378 R C -0.854 175.481 176.300 0.058 0.000 0.981 378 R CA -0.755 55.411 56.100 0.111 0.000 0.905 378 R CB 1.304 31.691 30.300 0.146 0.000 1.099 378 R HN 0.384 8.763 8.270 0.182 0.000 0.459 379 E N 3.065 123.282 120.200 0.030 0.000 2.256 379 E HA 0.284 nan 4.350 nan 0.000 0.268 379 E C -1.305 175.302 176.600 0.012 0.000 0.877 379 E CA -1.290 55.120 56.400 0.017 0.000 0.757 379 E CB 4.199 33.901 29.700 0.003 0.000 1.183 379 E HN 0.692 9.065 8.360 0.022 0.000 0.418 380 E N 3.736 123.943 120.200 0.012 0.000 2.052 380 E HA 0.088 nan 4.350 nan 0.000 0.283 380 E C -0.441 176.161 176.600 0.003 0.000 1.071 380 E CA -0.622 55.783 56.400 0.009 0.000 0.851 380 E CB -0.598 29.107 29.700 0.009 0.000 1.066 380 E HN 0.368 8.736 8.360 0.013 0.000 0.396 381 L N 5.210 126.433 121.223 -0.000 0.000 2.456 381 L HA 0.047 nan 4.340 nan 0.000 0.246 381 L C 0.926 177.795 176.870 -0.003 0.000 1.238 381 L CA -1.415 53.422 54.840 -0.005 0.000 0.826 381 L CB -1.154 40.900 42.059 -0.008 0.000 1.150 381 L HN 0.224 8.454 8.230 0.001 0.000 0.514 382 P HA -0.016 nan 4.420 nan 0.000 0.217 382 P C -0.579 176.721 177.300 -0.000 0.000 1.154 382 P CA 2.177 65.276 63.100 -0.002 0.000 0.841 382 P CB -0.291 31.407 31.700 -0.004 0.000 0.788 383 N N -2.871 115.828 118.700 -0.001 0.000 2.651 383 N HA -0.189 nan 4.740 nan 0.000 0.193 383 N C 0.544 176.056 175.510 0.003 0.000 1.149 383 N CA 0.238 53.289 53.050 0.001 0.000 0.933 383 N CB -0.573 37.915 38.487 0.002 0.000 0.974 383 N HN 0.183 8.561 8.380 -0.003 0.000 0.448 384 G N -0.723 108.079 108.800 0.003 0.000 3.047 384 G HA2 -0.346 nan 3.960 nan 0.000 0.203 384 G HA3 -0.346 nan 3.960 nan 0.000 0.203 384 G C -0.831 174.072 174.900 0.005 0.000 1.444 384 G CA 0.028 45.131 45.100 0.004 0.000 1.020 384 G HN -0.597 7.591 8.290 0.002 0.103 0.563 385 E N 2.712 122.915 120.200 0.006 0.000 2.438 385 E HA -0.126 nan 4.350 nan 0.000 0.261 385 E C -0.931 175.673 176.600 0.007 0.000 1.103 385 E CA 0.297 56.701 56.400 0.007 0.000 0.959 385 E CB 0.454 30.158 29.700 0.007 0.000 0.958 385 E HN 0.002 8.433 8.360 0.005 -0.068 0.447 386 E N 0.128 120.334 120.200 0.010 0.000 2.239 386 E HA 0.480 nan 4.350 nan 0.000 0.261 386 E C -0.591 176.013 176.600 0.006 0.000 1.016 386 E CA -0.817 55.590 56.400 0.011 0.000 0.882 386 E CB 1.957 31.670 29.700 0.021 0.000 1.190 386 E HN 0.012 8.379 8.360 0.012 0.000 0.415 387 R N -3.405 117.095 120.500 0.000 0.000 2.673 387 R HA 0.463 nan 4.340 nan 0.000 0.281 387 R C -1.177 175.103 176.300 -0.033 0.000 0.991 387 R CA -1.919 54.171 56.100 -0.016 0.000 0.896 387 R CB 2.728 33.015 30.300 -0.021 0.000 1.201 387 R HN 0.624 8.794 8.270 0.004 0.102 0.457 388 I N 2.537 123.060 120.570 -0.078 0.000 2.306 388 I HA 0.334 nan 4.170 nan 0.000 0.288 388 I C -0.633 175.355 176.117 -0.215 0.000 1.036 388 I CA -0.514 60.673 61.300 -0.189 0.000 1.221 388 I CB -0.258 37.539 38.000 -0.338 0.000 1.385 388 I HN 0.280 8.448 8.210 -0.071 0.000 0.472 389 V N 7.807 127.622 119.914 -0.166 0.000 2.472 389 V HA 0.345 nan 4.120 nan 0.000 0.290 389 V C -1.182 174.820 176.094 -0.152 0.000 1.037 389 V CA -2.025 60.201 62.300 -0.123 0.000 0.908 389 V CB 1.384 33.167 31.823 -0.066 0.000 0.985 389 V HN 0.893 9.009 8.190 -0.123 0.000 0.454 390 L N 5.583 126.734 121.223 -0.120 0.000 2.288 390 L HA 0.291 nan 4.340 nan 0.000 0.283 390 L C -0.247 176.599 176.870 -0.040 0.000 1.072 390 L CA -1.067 53.717 54.840 -0.093 0.000 0.862 390 L CB 0.206 42.226 42.059 -0.066 0.000 1.245 390 L HN 0.805 8.879 8.230 -0.087 0.104 0.432 391 K N 6.050 126.434 120.400 -0.025 0.000 2.449 391 K HA -0.150 nan 4.320 nan 0.000 0.237 391 K C -0.942 175.648 176.600 -0.016 0.000 1.265 391 K CA -0.094 56.179 56.287 -0.024 0.000 1.193 391 K CB -1.632 30.862 32.500 -0.011 0.000 1.515 391 K HN -0.200 8.041 8.250 -0.014 0.000 0.259 392 L N 1.535 122.748 121.223 -0.017 0.000 2.436 392 L HA -0.049 nan 4.340 nan 0.000 0.265 392 L C 0.390 177.241 176.870 -0.031 0.000 1.168 392 L CA -0.099 54.737 54.840 -0.007 0.000 0.815 392 L CB 1.200 43.271 42.059 0.020 0.000 1.109 392 L HN -0.159 8.004 8.230 -0.019 0.056 0.462 393 K N 3.584 123.965 120.400 -0.032 0.000 2.402 393 K HA 0.005 nan 4.320 nan 0.000 0.285 393 K C -0.599 175.940 176.600 -0.102 0.000 1.054 393 K CA -2.234 54.015 56.287 -0.064 0.000 1.001 393 K CB -0.694 31.771 32.500 -0.058 0.000 0.946 393 K HN 0.250 8.492 8.250 -0.014 0.000 0.473 394 P HA -0.344 nan 4.420 nan 0.000 0.222 394 P C 0.906 178.096 177.300 -0.184 0.000 1.159 394 P CA 2.751 65.778 63.100 -0.120 0.000 0.920 394 P CB 0.127 31.775 31.700 -0.086 0.000 0.793 395 Q N -4.889 114.695 119.800 -0.359 0.000 2.439 395 Q HA -0.187 nan 4.340 nan 0.000 0.211 395 Q C 1.397 177.156 176.000 -0.402 0.000 0.978 395 Q CA 2.579 57.996 55.803 -0.643 0.000 0.897 395 Q CB -0.750 27.063 28.738 -1.542 0.000 0.956 395 Q HN 0.390 8.448 8.270 -0.354 0.000 0.483 396 L N -5.537 115.563 121.223 -0.205 0.000 2.731 396 L HA 0.039 nan 4.340 nan 0.000 0.240 396 L C -0.410 176.470 176.870 0.016 0.000 1.120 396 L CA -0.854 53.963 54.840 -0.038 0.000 0.913 396 L CB -0.005 42.065 42.059 0.018 0.000 1.213 396 L HN -0.128 7.779 8.230 -0.206 0.200 0.515 397 A N 0.776 123.592 122.820 -0.006 0.000 2.547 397 A HA -0.029 nan 4.320 nan 0.000 0.233 397 A C -2.033 175.589 177.584 0.062 0.000 1.067 397 A CA -0.665 51.396 52.037 0.041 0.000 0.763 397 A CB -0.020 18.990 19.000 0.016 0.000 1.007 397 A HN -0.750 7.248 8.150 -0.053 0.121 0.506 398 P HA -0.071 nan 4.420 nan 0.000 0.222 398 P C -1.460 175.863 177.300 0.038 0.000 1.153 398 P CA 1.513 64.650 63.100 0.061 0.000 0.798 398 P CB 0.645 32.363 31.700 0.031 0.000 0.796 399 I N -5.118 115.479 120.570 0.045 0.000 2.478 399 I HA 0.097 nan 4.170 nan 0.000 0.287 399 I C -0.845 175.287 176.117 0.025 0.000 1.042 399 I CA -1.034 60.287 61.300 0.034 0.000 1.067 399 I CB 2.453 40.478 38.000 0.043 0.000 1.233 399 I HN -0.687 7.550 8.210 0.061 0.010 0.431 400 K N 5.240 125.655 120.400 0.026 0.000 2.057 400 K HA -0.023 nan 4.320 nan 0.000 0.206 400 K C -0.991 175.658 176.600 0.081 0.000 1.050 400 K CA 1.373 57.691 56.287 0.052 0.000 0.935 400 K CB 0.618 33.148 32.500 0.049 0.000 0.715 400 K HN 0.401 8.666 8.250 0.024 0.000 0.439 401 V N -5.131 114.797 119.914 0.023 0.000 2.808 401 V HA 0.404 nan 4.120 nan 0.000 0.308 401 V C -2.190 173.850 176.094 -0.089 0.000 1.099 401 V CA -1.500 60.797 62.300 -0.006 0.000 0.920 401 V CB 3.585 35.397 31.823 -0.019 0.000 1.014 401 V HN -0.822 7.373 8.190 0.008 0.000 0.425 402 A N 5.394 128.104 122.820 -0.183 0.000 2.330 402 A HA 0.896 nan 4.320 nan 0.000 0.327 402 A C -2.354 175.144 177.584 -0.144 0.000 1.155 402 A CA -2.190 49.693 52.037 -0.258 0.000 0.803 402 A CB 2.503 21.081 19.000 -0.702 0.000 1.208 402 A HN 0.342 8.395 8.150 -0.162 0.000 0.477 403 V N 2.834 122.711 119.914 -0.061 0.000 2.384 403 V HA 0.541 nan 4.120 nan 0.000 0.287 403 V C -1.488 174.604 176.094 -0.004 0.000 1.020 403 V CA -0.832 61.458 62.300 -0.017 0.000 0.850 403 V CB 1.386 33.240 31.823 0.052 0.000 0.987 403 V HN 0.562 8.737 8.190 -0.025 0.000 0.436 404 I N 7.120 127.648 120.570 -0.070 0.000 2.382 404 I HA 0.508 nan 4.170 nan 0.000 0.286 404 I C -2.434 173.629 176.117 -0.090 0.000 1.002 404 I CA -3.751 57.486 61.300 -0.106 0.000 1.135 404 I CB 2.457 40.335 38.000 -0.202 0.000 1.288 404 I HN 0.701 8.855 8.210 -0.094 0.000 0.448 405 P HA 0.276 nan 4.420 nan 0.000 0.276 405 P C 0.073 177.304 177.300 -0.115 0.000 1.243 405 P CA -0.503 62.567 63.100 -0.050 0.000 0.768 405 P CB 0.381 32.102 31.700 0.035 0.000 0.856 406 L N 6.280 127.413 121.223 -0.149 0.000 2.013 406 L HA -0.284 nan 4.340 nan 0.000 0.212 406 L C -0.376 176.410 176.870 -0.138 0.000 1.073 406 L CA 2.297 57.047 54.840 -0.150 0.000 0.753 406 L CB 0.153 42.117 42.059 -0.158 0.000 0.890 406 L HN 0.528 8.560 8.230 -0.160 0.102 0.432 407 V N -3.406 116.399 119.914 -0.181 0.000 2.540 407 V HA 0.108 nan 4.120 nan 0.000 0.302 407 V C -0.511 175.529 176.094 -0.091 0.000 1.035 407 V CA -0.999 61.227 62.300 -0.123 0.000 0.873 407 V CB 1.982 33.728 31.823 -0.128 0.000 0.992 407 V HN -0.475 7.570 8.190 -0.242 0.000 0.428 408 K N 5.404 125.776 120.400 -0.046 0.000 2.296 408 K HA -0.152 nan 4.320 nan 0.000 0.200 408 K C 0.501 177.100 176.600 -0.001 0.000 1.048 408 K CA 1.767 58.041 56.287 -0.022 0.000 0.966 408 K CB 0.027 32.514 32.500 -0.021 0.000 0.754 408 K HN 0.481 8.707 8.250 -0.039 0.000 0.466 409 N N -2.038 116.665 118.700 0.005 0.000 2.051 409 N HA -0.240 nan 4.740 nan 0.000 0.192 409 N C -0.046 175.483 175.510 0.032 0.000 1.049 409 N CA 0.960 54.026 53.050 0.027 0.000 0.845 409 N CB -0.293 38.222 38.487 0.047 0.000 1.031 409 N HN -0.195 8.148 8.380 0.000 0.037 0.425 410 R N 2.225 122.747 120.500 0.037 0.000 2.507 410 R HA 0.120 nan 4.340 nan 0.000 0.341 410 R C -0.869 175.446 176.300 0.024 0.000 0.960 410 R CA -2.361 53.770 56.100 0.051 0.000 1.032 410 R CB -0.277 30.085 30.300 0.103 0.000 0.933 410 R HN 0.116 8.406 8.270 0.033 0.000 0.418 411 P HA -0.154 nan 4.420 nan 0.000 0.218 411 P C 1.449 178.763 177.300 0.024 0.000 1.149 411 P CA 2.441 65.556 63.100 0.026 0.000 0.817 411 P CB 0.051 31.766 31.700 0.024 0.000 0.785 412 E N -2.866 117.355 120.200 0.035 0.000 2.171 412 E HA -0.280 nan 4.350 nan 0.000 0.197 412 E C 2.231 178.862 176.600 0.051 0.000 0.997 412 E CA 3.390 59.814 56.400 0.040 0.000 0.810 412 E CB -0.393 29.344 29.700 0.062 0.000 0.738 412 E HN 0.673 9.038 8.360 0.044 0.022 0.467 413 I N -2.228 118.359 120.570 0.028 0.000 2.188 413 I HA -0.391 nan 4.170 nan 0.000 0.237 413 I C 1.560 177.692 176.117 0.025 0.000 1.073 413 I CA 3.365 64.669 61.300 0.006 0.000 1.359 413 I CB -0.120 37.816 38.000 -0.106 0.000 1.083 413 I HN -0.434 7.635 8.210 0.017 0.151 0.412 414 T N -0.209 114.357 114.554 0.021 0.000 2.685 414 T HA -0.442 nan 4.350 nan 0.000 0.268 414 T C 2.033 176.691 174.700 -0.070 0.000 1.034 414 T CA 4.474 66.593 62.100 0.032 0.000 1.149 414 T CB -0.897 68.023 68.868 0.087 0.000 0.860 414 T HN -0.423 7.826 8.240 0.014 0.000 0.449 415 E N 1.842 122.024 120.200 -0.030 0.000 2.033 415 E HA -0.396 nan 4.350 nan 0.000 0.199 415 E C 1.749 178.347 176.600 -0.004 0.000 1.011 415 E CA 3.152 59.524 56.400 -0.048 0.000 0.815 415 E CB -0.873 28.812 29.700 -0.026 0.000 0.755 415 E HN -0.020 8.333 8.360 -0.002 0.006 0.451 416 Y N 0.381 120.619 120.300 -0.103 0.000 2.114 416 Y HA -0.457 nan 4.550 nan 0.000 0.282 416 Y C 1.635 177.458 175.900 -0.127 0.000 1.165 416 Y CA 1.559 59.601 58.100 -0.097 0.000 1.148 416 Y CB -0.629 37.787 38.460 -0.072 0.000 0.972 416 Y HN -0.811 7.547 8.280 0.131 0.000 0.504 417 A N -1.743 121.085 122.820 0.013 0.000 1.851 417 A HA -0.499 nan 4.320 nan 0.000 0.216 417 A C 1.940 179.377 177.584 -0.246 0.000 1.195 417 A CA 3.522 55.493 52.037 -0.110 0.000 0.622 417 A CB -0.772 18.228 19.000 -0.000 0.000 0.831 417 A HN 0.277 8.369 8.150 0.029 0.075 0.444 418 K N -1.936 118.146 120.400 -0.530 0.000 2.113 418 K HA -0.441 nan 4.320 nan 0.000 0.208 418 K C 2.720 179.191 176.600 -0.215 0.000 1.047 418 K CA 3.496 59.442 56.287 -0.568 0.000 0.928 418 K CB -0.348 31.819 32.500 -0.555 0.000 0.716 418 K HN 0.187 8.007 8.250 -0.540 0.106 0.446 419 R N -0.629 119.810 120.500 -0.101 0.000 2.070 419 R HA -0.303 nan 4.340 nan 0.000 0.232 419 R C 2.345 178.657 176.300 0.020 0.000 1.138 419 R CA 3.267 59.357 56.100 -0.016 0.000 0.936 419 R CB -0.077 30.243 30.300 0.033 0.000 0.839 419 R HN 0.056 8.170 8.270 -0.092 0.100 0.429 420 L N -0.078 121.190 121.223 0.075 0.000 2.021 420 L HA -0.366 nan 4.340 nan 0.000 0.215 420 L C 1.522 178.382 176.870 -0.016 0.000 1.074 420 L CA 2.838 57.697 54.840 0.032 0.000 0.760 420 L CB -1.121 40.897 42.059 -0.070 0.000 0.889 420 L HN 0.450 8.648 8.230 0.133 0.112 0.433 421 K N -1.253 119.126 120.400 -0.034 0.000 2.034 421 K HA -0.482 nan 4.320 nan 0.000 0.214 421 K C 2.008 178.603 176.600 -0.010 0.000 1.051 421 K CA 3.403 59.681 56.287 -0.015 0.000 0.931 421 K CB -0.254 32.247 32.500 0.002 0.000 0.715 421 K HN 0.303 8.515 8.250 -0.057 0.004 0.446 422 A N -1.442 121.368 122.820 -0.017 0.000 1.883 422 A HA -0.318 nan 4.320 nan 0.000 0.217 422 A C 2.301 179.884 177.584 -0.001 0.000 1.186 422 A CA 3.152 55.184 52.037 -0.008 0.000 0.624 422 A CB -0.966 18.025 19.000 -0.015 0.000 0.822 422 A HN -0.472 7.657 8.150 -0.034 0.000 0.444 423 R N -0.849 119.651 120.500 0.000 0.000 2.094 423 R HA -0.312 nan 4.340 nan 0.000 0.239 423 R C 2.603 178.903 176.300 0.001 0.000 1.137 423 R CA 2.870 58.973 56.100 0.005 0.000 0.943 423 R CB -0.214 30.095 30.300 0.015 0.000 0.850 423 R HN -0.426 7.844 8.270 -0.000 0.000 0.433 424 L N -2.992 118.225 121.223 -0.010 0.000 2.201 424 L HA -0.282 nan 4.340 nan 0.000 0.212 424 L C 2.274 179.141 176.870 -0.004 0.000 1.105 424 L CA 2.265 57.095 54.840 -0.018 0.000 0.775 424 L CB -0.444 41.591 42.059 -0.040 0.000 0.913 424 L HN -0.163 8.059 8.230 -0.013 0.000 0.440 425 L N -0.300 120.924 121.223 0.002 0.000 2.017 425 L HA -0.328 nan 4.340 nan 0.000 0.208 425 L C 1.773 178.653 176.870 0.017 0.000 1.073 425 L CA 2.530 57.377 54.840 0.012 0.000 0.745 425 L CB -0.608 41.459 42.059 0.014 0.000 0.894 425 L HN -0.006 8.100 8.230 -0.000 0.123 0.432 426 A N -2.456 120.373 122.820 0.014 0.000 2.084 426 A HA -0.236 nan 4.320 nan 0.000 0.221 426 A C 1.471 179.068 177.584 0.022 0.000 1.161 426 A CA 2.587 54.635 52.037 0.018 0.000 0.653 426 A CB -0.793 18.215 19.000 0.014 0.000 0.802 426 A HN 0.020 8.097 8.150 0.010 0.079 0.457 427 L N -4.553 116.681 121.223 0.019 0.000 2.187 427 L HA -0.296 nan 4.340 nan 0.000 0.213 427 L C 0.973 177.864 176.870 0.034 0.000 1.100 427 L CA 0.643 55.496 54.840 0.023 0.000 0.765 427 L CB 0.011 42.078 42.059 0.014 0.000 0.904 427 L HN -0.736 7.319 8.230 0.013 0.183 0.437 428 G N -3.126 105.696 108.800 0.037 0.000 2.176 428 G HA2 -0.388 nan 3.960 nan 0.000 0.252 428 G HA3 -0.388 nan 3.960 nan 0.000 0.252 428 G C -0.029 174.905 174.900 0.057 0.000 1.024 428 G CA 0.681 45.812 45.100 0.051 0.000 0.755 428 G HN 0.054 8.211 8.290 0.030 0.151 0.507 429 L N -2.447 118.800 121.223 0.041 0.000 2.529 429 L HA 0.125 nan 4.340 nan 0.000 0.223 429 L C -1.014 175.872 176.870 0.027 0.000 1.113 429 L CA -0.024 54.836 54.840 0.034 0.000 0.861 429 L CB 0.566 42.639 42.059 0.023 0.000 1.012 429 L HN -0.309 7.920 8.230 0.032 0.020 0.461 430 G N -4.153 104.667 108.800 0.033 0.000 2.339 430 G HA2 -0.245 nan 3.960 nan 0.000 0.381 430 G HA3 -0.245 nan 3.960 nan 0.000 0.381 430 G C -2.201 172.717 174.900 0.030 0.000 1.400 430 G CA -0.903 44.216 45.100 0.032 0.000 1.002 430 G HN -0.923 7.351 8.290 0.036 0.037 0.633 431 R N -0.597 119.921 120.500 0.031 0.000 2.488 431 R HA -0.187 nan 4.340 nan 0.000 0.317 431 R C -0.679 175.634 176.300 0.023 0.000 0.941 431 R CA 0.971 57.088 56.100 0.029 0.000 1.076 431 R CB 0.156 30.473 30.300 0.029 0.000 0.917 431 R HN 0.101 8.392 8.270 0.035 0.000 0.407 432 V N 4.689 124.616 119.914 0.021 0.000 2.837 432 V HA 0.581 nan 4.120 nan 0.000 0.310 432 V C -0.579 175.530 176.094 0.025 0.000 1.059 432 V CA -1.179 61.129 62.300 0.013 0.000 1.004 432 V CB 1.667 33.494 31.823 0.007 0.000 1.045 432 V HN -0.231 7.973 8.190 0.024 0.000 0.465 433 L N 3.052 124.287 121.223 0.020 0.000 2.388 433 L HA 0.518 nan 4.340 nan 0.000 0.264 433 L C -2.366 174.556 176.870 0.088 0.000 0.998 433 L CA -0.558 54.311 54.840 0.048 0.000 0.817 433 L CB 5.218 47.298 42.059 0.036 0.000 1.338 433 L HN 0.831 8.958 8.230 -0.006 0.099 0.414 434 Y N 4.085 124.377 120.300 -0.013 0.000 2.385 434 Y HA 0.398 nan 4.550 nan 0.000 0.341 434 Y C -1.847 174.052 175.900 -0.003 0.000 0.965 434 Y CA -2.397 55.691 58.100 -0.020 0.000 1.180 434 Y CB 0.703 39.153 38.460 -0.016 0.000 1.139 434 Y HN 0.189 8.569 8.280 0.167 0.000 0.502 435 E N 9.078 129.050 120.200 -0.380 0.000 2.073 435 E HA 0.133 nan 4.350 nan 0.000 0.269 435 E C -1.091 175.197 176.600 -0.519 0.000 0.917 435 E CA -1.618 54.568 56.400 -0.357 0.000 0.757 435 E CB 1.641 31.321 29.700 -0.033 0.000 1.111 435 E HN 0.355 8.605 8.360 -0.183 0.000 0.410 436 D N 2.059 122.116 120.400 -0.572 0.000 2.424 436 D HA 0.104 nan 4.640 nan 0.000 0.220 436 D C -0.169 176.010 176.300 -0.201 0.000 1.150 436 D CA -0.290 53.483 54.000 -0.378 0.000 0.831 436 D CB -0.242 40.355 40.800 -0.338 0.000 0.981 436 D HN 0.204 8.246 8.370 -0.546 0.000 0.500 437 T N 1.440 115.887 114.554 -0.179 0.000 2.903 437 T HA -0.067 nan 4.350 nan 0.000 0.314 437 T C 1.228 175.866 174.700 -0.103 0.000 1.078 437 T CA 0.231 62.258 62.100 -0.121 0.000 1.114 437 T CB 0.771 69.570 68.868 -0.115 0.000 0.987 437 T HN -0.394 7.638 8.240 -0.204 0.085 0.548 438 G N 0.119 108.873 108.800 -0.077 0.000 2.196 438 G HA2 -0.302 nan 3.960 nan 0.000 0.448 438 G HA3 -0.302 nan 3.960 nan 0.000 0.448 438 G C -0.607 174.254 174.900 -0.064 0.000 1.369 438 G CA -0.071 44.992 45.100 -0.062 0.000 1.136 438 G HN 0.134 8.382 8.290 -0.070 0.000 0.607 439 N N 0.306 118.979 118.700 -0.044 0.000 1.628 439 N HA -0.303 nan 4.740 nan 0.000 0.321 439 N C 1.629 177.109 175.510 -0.050 0.000 1.268 439 N CA 0.298 53.328 53.050 -0.034 0.000 0.886 439 N CB -0.175 38.303 38.487 -0.015 0.000 1.182 439 N HN -0.140 8.219 8.380 -0.035 0.000 0.495 440 I N 6.370 126.894 120.570 -0.076 0.000 2.191 440 I HA -0.536 nan 4.170 nan 0.000 0.248 440 I C 0.603 176.665 176.117 -0.092 0.000 1.061 440 I CA 2.631 63.842 61.300 -0.149 0.000 1.329 440 I CB 0.141 38.057 38.000 -0.140 0.000 1.024 440 I HN 0.470 8.640 8.210 -0.066 0.000 0.423 441 G N -1.793 107.033 108.800 0.043 0.000 2.459 441 G HA2 -0.493 nan 3.960 nan 0.000 0.217 441 G HA3 -0.493 nan 3.960 nan 0.000 0.217 441 G C 0.642 175.611 174.900 0.114 0.000 1.183 441 G CA 2.125 47.314 45.100 0.148 0.000 0.776 441 G HN -0.318 8.176 8.290 0.028 -0.187 0.552 442 K N 2.709 123.131 120.400 0.036 0.000 2.074 442 K HA -0.351 nan 4.320 nan 0.000 0.209 442 K C 1.809 178.406 176.600 -0.006 0.000 1.048 442 K CA 2.927 59.220 56.287 0.010 0.000 0.926 442 K CB -0.224 32.264 32.500 -0.019 0.000 0.713 442 K HN -0.140 8.050 8.250 0.018 0.071 0.444 443 A N -0.801 121.996 122.820 -0.039 0.000 1.851 443 A HA -0.290 nan 4.320 nan 0.000 0.216 443 A C 2.178 179.812 177.584 0.083 0.000 1.195 443 A CA 3.091 55.097 52.037 -0.052 0.000 0.622 443 A CB -1.142 17.780 19.000 -0.130 0.000 0.831 443 A HN -0.483 7.534 8.150 -0.059 0.097 0.444 444 Y N -1.762 118.577 120.300 0.065 0.000 2.069 444 Y HA -0.497 nan 4.550 nan 0.000 0.278 444 Y C 2.626 178.556 175.900 0.050 0.000 1.175 444 Y CA 2.743 60.886 58.100 0.072 0.000 1.134 444 Y CB -0.717 37.763 38.460 0.034 0.000 0.965 444 Y HN -0.384 7.893 8.280 -0.005 0.000 0.498 445 R N -2.333 118.283 120.500 0.193 0.000 2.103 445 R HA -0.530 nan 4.340 nan 0.000 0.234 445 R C 2.003 178.317 176.300 0.023 0.000 1.132 445 R CA 3.566 59.713 56.100 0.078 0.000 0.925 445 R CB -0.447 29.880 30.300 0.044 0.000 0.842 445 R HN 0.119 8.456 8.270 0.207 0.058 0.430 446 R N -0.992 119.478 120.500 -0.050 0.000 2.140 446 R HA -0.454 nan 4.340 nan 0.000 0.250 446 R C 2.507 178.719 176.300 -0.147 0.000 1.150 446 R CA 3.296 59.307 56.100 -0.148 0.000 0.966 446 R CB -0.404 29.715 30.300 -0.301 0.000 0.869 446 R HN 0.279 8.522 8.270 -0.046 0.000 0.445 447 H N -2.740 116.350 119.070 0.033 0.000 2.457 447 H HA -0.115 nan 4.556 nan 0.000 0.294 447 H C 2.317 177.662 175.328 0.027 0.000 1.064 447 H CA 3.222 59.290 56.048 0.035 0.000 1.330 447 H CB -0.506 29.285 29.762 0.048 0.000 1.395 447 H HN -0.199 8.033 8.280 -0.060 0.012 0.541 448 D N 0.096 120.563 120.400 0.113 0.000 2.137 448 D HA -0.088 nan 4.640 nan 0.000 0.202 448 D C 2.488 178.790 176.300 0.004 0.000 0.970 448 D CA 3.373 57.397 54.000 0.040 0.000 0.837 448 D CB -0.291 40.514 40.800 0.009 0.000 0.981 448 D HN 0.158 8.444 8.370 0.108 0.149 0.475 449 E N -0.605 119.593 120.200 -0.005 0.000 2.110 449 E HA -0.250 nan 4.350 nan 0.000 0.193 449 E C 2.257 178.894 176.600 0.061 0.000 0.988 449 E CA 3.017 59.397 56.400 -0.032 0.000 0.804 449 E CB 0.293 29.977 29.700 -0.027 0.000 0.745 449 E HN -0.182 8.181 8.360 0.004 0.000 0.458 450 V N -10.221 109.769 119.914 0.126 0.000 3.633 450 V HA 0.338 nan 4.120 nan 0.000 0.283 450 V C 0.055 176.285 176.094 0.227 0.000 1.305 450 V CA -1.677 60.787 62.300 0.273 0.000 1.153 450 V CB -1.149 30.765 31.823 0.151 0.000 0.950 450 V HN -0.191 7.957 8.190 0.078 0.089 0.432 451 G N 0.282 109.152 108.800 0.117 0.000 2.338 451 G HA2 -0.352 nan 3.960 nan 0.000 0.296 451 G HA3 -0.352 nan 3.960 nan 0.000 0.296 451 G C -0.425 174.506 174.900 0.052 0.000 1.040 451 G CA 0.701 45.839 45.100 0.063 0.000 1.004 451 G HN -0.259 7.918 8.290 0.082 0.163 0.509 452 T N -1.008 113.588 114.554 0.070 0.000 2.727 452 T HA 0.342 nan 4.350 nan 0.000 0.298 452 T C -1.305 173.350 174.700 -0.075 0.000 0.942 452 T CA -3.275 58.840 62.100 0.025 0.000 0.997 452 T CB 0.153 69.058 68.868 0.063 0.000 0.917 452 T HN -0.053 8.256 8.240 0.115 0.000 0.487 453 P HA -0.262 nan 4.420 nan 0.000 0.222 453 P C -1.128 175.669 177.300 -0.838 0.000 1.155 453 P CA 2.288 65.075 63.100 -0.520 0.000 0.890 453 P CB 0.380 31.820 31.700 -0.433 0.000 0.790 454 F N -6.977 112.948 119.950 -0.042 0.000 2.619 454 F HA 0.294 nan 4.527 nan 0.000 0.308 454 F C -2.511 173.225 175.800 -0.107 0.000 1.097 454 F CA -1.492 56.465 58.000 -0.071 0.000 0.953 454 F CB 4.014 42.929 39.000 -0.141 0.000 1.287 454 F HN -0.748 7.585 8.300 0.054 0.000 0.446 455 A N 2.152 125.050 122.820 0.130 0.000 2.431 455 A HA 0.651 nan 4.320 nan 0.000 0.318 455 A C -1.341 176.266 177.584 0.038 0.000 1.330 455 A CA -1.267 50.791 52.037 0.035 0.000 0.804 455 A CB 0.557 19.633 19.000 0.127 0.000 1.135 455 A HN 0.424 8.683 8.150 0.181 0.000 0.483 456 V N 5.009 124.892 119.914 -0.052 0.000 2.715 456 V HA 0.245 nan 4.120 nan 0.000 0.299 456 V C -1.004 175.038 176.094 -0.088 0.000 1.054 456 V CA 0.340 62.583 62.300 -0.094 0.000 1.077 456 V CB 0.305 32.035 31.823 -0.155 0.000 0.972 456 V HN 0.262 8.408 8.190 -0.073 0.000 0.484 457 T N 6.281 120.785 114.554 -0.084 0.000 2.879 457 T HA 0.588 nan 4.350 nan 0.000 0.290 457 T C -1.231 173.388 174.700 -0.135 0.000 0.993 457 T CA -1.244 60.793 62.100 -0.105 0.000 0.975 457 T CB 1.981 70.794 68.868 -0.091 0.000 0.981 457 T HN 0.111 8.202 8.240 -0.071 0.106 0.439 458 V N 2.555 122.366 119.914 -0.171 0.000 2.743 458 V HA 0.855 nan 4.120 nan 0.000 0.301 458 V C -2.190 173.799 176.094 -0.174 0.000 1.057 458 V CA -3.483 58.684 62.300 -0.222 0.000 1.006 458 V CB 1.088 32.734 31.823 -0.294 0.000 1.024 458 V HN 0.292 8.392 8.190 -0.151 0.000 0.473 459 D N 1.637 121.939 120.400 -0.163 0.000 2.725 459 D HA 0.079 nan 4.640 nan 0.000 0.292 459 D C -0.026 176.222 176.300 -0.088 0.000 1.288 459 D CA -0.637 53.255 54.000 -0.179 0.000 0.784 459 D CB 1.345 42.079 40.800 -0.109 0.000 1.308 459 D HN -0.173 8.099 8.370 -0.164 0.000 0.429 460 Y N 0.121 120.431 120.300 0.016 0.000 2.100 460 Y HA -0.601 nan 4.550 nan 0.000 0.267 460 Y C 1.419 177.341 175.900 0.036 0.000 1.250 460 Y CA 4.084 62.201 58.100 0.029 0.000 1.105 460 Y CB -1.094 37.379 38.460 0.023 0.000 0.924 460 Y HN 0.329 8.301 8.280 -0.513 0.000 0.508 461 D N -4.411 116.104 120.400 0.192 0.000 2.092 461 D HA -0.287 nan 4.640 nan 0.000 0.193 461 D C 1.753 178.115 176.300 0.104 0.000 0.994 461 D CA 3.194 57.269 54.000 0.124 0.000 0.828 461 D CB -1.094 39.760 40.800 0.090 0.000 0.963 461 D HN 0.144 8.621 8.370 0.194 0.010 0.450 462 T N 0.967 115.559 114.554 0.062 0.000 2.653 462 T HA -0.303 nan 4.350 nan 0.000 0.268 462 T C 2.216 177.052 174.700 0.226 0.000 1.035 462 T CA 3.297 65.429 62.100 0.054 0.000 1.154 462 T CB -0.501 68.279 68.868 -0.147 0.000 0.862 462 T HN -0.196 8.148 8.240 0.032 -0.085 0.441 463 I N -0.947 119.756 120.570 0.223 0.000 2.179 463 I HA -0.604 nan 4.170 nan 0.000 0.242 463 I C 1.206 177.413 176.117 0.149 0.000 1.088 463 I CA 3.306 64.748 61.300 0.238 0.000 1.357 463 I CB 0.178 38.286 38.000 0.181 0.000 1.051 463 I HN -0.497 7.799 8.210 0.146 0.001 0.409 464 G N -5.309 103.573 108.800 0.137 0.000 2.738 464 G HA2 -0.254 nan 3.960 nan 0.000 0.195 464 G HA3 -0.254 nan 3.960 nan 0.000 0.195 464 G C 0.258 175.215 174.900 0.095 0.000 1.001 464 G CA -0.225 44.935 45.100 0.101 0.000 0.759 464 G HN 0.045 8.234 8.290 0.154 0.193 0.494 465 Q N 2.636 122.513 119.800 0.127 0.000 2.800 465 Q HA -0.137 nan 4.340 nan 0.000 0.261 465 Q C -0.319 175.724 176.000 0.072 0.000 1.093 465 Q CA -0.672 55.191 55.803 0.101 0.000 0.943 465 Q CB -1.532 27.299 28.738 0.154 0.000 1.591 465 Q HN -0.128 8.239 8.270 0.162 0.000 0.429 466 S N 1.871 117.609 115.700 0.063 0.000 2.584 466 S HA -0.101 nan 4.470 nan 0.000 0.270 466 S C 0.406 174.999 174.600 -0.011 0.000 1.346 466 S CA 0.341 58.569 58.200 0.046 0.000 1.018 466 S CB 0.844 64.075 63.200 0.052 0.000 0.899 466 S HN -0.120 8.144 8.310 0.065 0.084 0.542 467 K N 2.785 123.176 120.400 -0.014 0.000 1.965 467 K HA -0.239 nan 4.320 nan 0.000 0.214 467 K C 1.571 178.159 176.600 -0.021 0.000 1.046 467 K CA 2.563 58.828 56.287 -0.037 0.000 0.944 467 K CB -0.134 32.355 32.500 -0.019 0.000 0.726 467 K HN 0.482 8.741 8.250 0.015 0.000 0.441 468 D N -2.593 117.805 120.400 -0.003 0.000 2.389 468 D HA -0.136 nan 4.640 nan 0.000 0.250 468 D C 0.366 176.667 176.300 0.001 0.000 1.136 468 D CA -0.353 53.647 54.000 0.001 0.000 0.945 468 D CB -2.192 38.614 40.800 0.009 0.000 0.890 468 D HN 0.008 8.381 8.370 0.005 0.000 0.525 469 G N -0.401 108.397 108.800 -0.004 0.000 2.305 469 G HA2 -0.391 nan 3.960 nan 0.000 0.287 469 G HA3 -0.391 nan 3.960 nan 0.000 0.287 469 G C -0.590 174.315 174.900 0.008 0.000 1.036 469 G CA 0.857 45.956 45.100 -0.001 0.000 0.887 469 G HN -0.263 7.875 8.290 -0.011 0.145 0.505 470 T N 0.386 114.949 114.554 0.015 0.000 2.809 470 T HA 0.150 nan 4.350 nan 0.000 0.284 470 T C -0.315 174.404 174.700 0.031 0.000 0.992 470 T CA -0.800 61.313 62.100 0.022 0.000 0.957 470 T CB 1.749 70.631 68.868 0.024 0.000 0.942 470 T HN -0.588 7.649 8.240 0.014 0.012 0.439 471 T N 9.383 123.957 114.554 0.033 0.000 3.379 471 T HA 0.335 nan 4.350 nan 0.000 0.274 471 T C -0.570 174.158 174.700 0.047 0.000 1.555 471 T CA 0.154 62.279 62.100 0.042 0.000 1.297 471 T CB -1.190 67.701 68.868 0.038 0.000 1.132 471 T HN 0.457 8.713 8.240 0.027 0.000 0.722 472 R N 3.676 124.205 120.500 0.049 0.000 2.084 472 R HA 0.055 nan 4.340 nan 0.000 0.209 472 R C 0.544 176.885 176.300 0.069 0.000 1.173 472 R CA 0.996 57.127 56.100 0.053 0.000 1.053 472 R CB 0.241 30.567 30.300 0.044 0.000 0.948 472 R HN -0.325 7.902 8.270 0.047 0.071 0.460 473 L N -0.042 121.221 121.223 0.067 0.000 2.651 473 L HA -0.176 nan 4.340 nan 0.000 0.236 473 L C -0.874 176.046 176.870 0.083 0.000 1.173 473 L CA 0.005 54.888 54.840 0.072 0.000 0.843 473 L CB -0.595 41.501 42.059 0.062 0.000 0.964 473 L HN 0.126 8.391 8.230 0.059 0.000 0.454 474 K N -2.179 118.277 120.400 0.094 0.000 2.484 474 K HA -0.368 nan 4.320 nan 0.000 0.280 474 K C -0.408 176.270 176.600 0.130 0.000 1.013 474 K CA 1.234 57.588 56.287 0.112 0.000 1.029 474 K CB -0.251 32.309 32.500 0.101 0.000 0.902 474 K HN -0.594 7.588 8.250 0.086 0.120 0.481 475 D N 2.258 122.739 120.400 0.135 0.000 2.981 475 D HA -0.363 nan 4.640 nan 0.000 0.223 475 D C -1.279 174.900 176.300 -0.201 0.000 1.151 475 D CA 1.718 55.745 54.000 0.045 0.000 0.827 475 D CB -1.318 39.538 40.800 0.093 0.000 1.101 475 D HN 0.526 8.871 8.370 0.184 0.135 0.426 476 T N -3.060 111.447 114.554 -0.078 0.000 2.848 476 T HA 0.789 nan 4.350 nan 0.000 0.285 476 T C -0.876 173.762 174.700 -0.105 0.000 0.995 476 T CA -0.763 61.289 62.100 -0.079 0.000 0.970 476 T CB 3.092 71.975 68.868 0.026 0.000 0.976 476 T HN -0.695 7.506 8.240 -0.010 0.033 0.441 477 V N -0.217 119.622 119.914 -0.125 0.000 3.181 477 V HA 0.860 nan 4.120 nan 0.000 0.314 477 V C -1.841 174.209 176.094 -0.073 0.000 1.173 477 V CA -3.277 58.944 62.300 -0.132 0.000 1.052 477 V CB 2.909 34.609 31.823 -0.205 0.000 1.123 477 V HN 1.027 9.146 8.190 -0.120 0.000 0.454 478 T N 0.691 115.211 114.554 -0.057 0.000 2.833 478 T HA 0.545 nan 4.350 nan 0.000 0.297 478 T C -0.792 173.902 174.700 -0.010 0.000 1.015 478 T CA -1.522 60.573 62.100 -0.008 0.000 0.963 478 T CB 0.671 69.561 68.868 0.037 0.000 0.955 478 T HN -0.076 8.120 8.240 -0.074 0.000 0.449 479 V N 3.321 123.208 119.914 -0.045 0.000 2.385 479 V HA 0.599 nan 4.120 nan 0.000 0.269 479 V C -1.881 174.249 176.094 0.060 0.000 1.043 479 V CA -2.677 59.574 62.300 -0.082 0.000 0.906 479 V CB -0.068 31.507 31.823 -0.412 0.000 0.995 479 V HN 0.667 8.833 8.190 -0.040 0.000 0.467 480 R N 7.337 127.908 120.500 0.118 0.000 2.215 480 R HA 0.310 nan 4.340 nan 0.000 0.337 480 R C -0.703 175.660 176.300 0.105 0.000 1.010 480 R CA -1.161 54.991 56.100 0.086 0.000 0.871 480 R CB 1.371 31.652 30.300 -0.031 0.000 1.134 480 R HN -0.191 8.163 8.270 0.140 0.000 0.477 481 D N 8.254 128.743 120.400 0.149 0.000 2.472 481 D HA -0.143 nan 4.640 nan 0.000 0.248 481 D C -0.102 176.161 176.300 -0.061 0.000 1.174 481 D CA 0.301 54.348 54.000 0.077 0.000 0.883 481 D CB 1.379 42.267 40.800 0.147 0.000 1.149 481 D HN 0.079 8.551 8.370 0.171 0.000 0.488 482 R N 6.770 127.173 120.500 -0.160 0.000 2.115 482 R HA -0.545 nan 4.340 nan 0.000 0.239 482 R C 1.752 177.995 176.300 -0.094 0.000 1.133 482 R CA 3.854 59.877 56.100 -0.128 0.000 0.935 482 R CB 0.088 30.286 30.300 -0.169 0.000 0.853 482 R HN -0.109 7.984 8.270 -0.294 0.000 0.433 483 D N -1.115 119.226 120.400 -0.099 0.000 2.088 483 D HA -0.150 nan 4.640 nan 0.000 0.196 483 D C 2.314 178.588 176.300 -0.043 0.000 0.983 483 D CA 3.033 56.996 54.000 -0.063 0.000 0.846 483 D CB -0.775 39.992 40.800 -0.057 0.000 0.992 483 D HN -0.194 8.271 8.370 -0.139 -0.177 0.448 484 T N -5.056 109.480 114.554 -0.029 0.000 2.977 484 T HA -0.268 nan 4.350 nan 0.000 0.271 484 T C 1.119 175.806 174.700 -0.023 0.000 1.105 484 T CA 1.949 64.040 62.100 -0.015 0.000 1.116 484 T CB -0.218 68.654 68.868 0.007 0.000 0.878 484 T HN -0.221 8.001 8.240 -0.029 0.000 0.509 485 M N -4.062 115.514 119.600 -0.040 0.000 2.901 485 M HA -0.412 nan 4.480 nan 0.000 0.182 485 M C -0.832 175.436 176.300 -0.053 0.000 0.641 485 M CA 1.313 56.571 55.300 -0.069 0.000 0.689 485 M CB -2.196 30.362 32.600 -0.070 0.000 2.484 485 M HN -0.032 8.175 8.290 -0.044 0.056 0.302 486 E N 1.067 121.264 120.200 -0.006 0.000 2.392 486 E HA -0.127 nan 4.350 nan 0.000 0.264 486 E C -1.364 175.256 176.600 0.033 0.000 1.024 486 E CA 0.227 56.638 56.400 0.018 0.000 0.903 486 E CB 1.573 31.302 29.700 0.048 0.000 0.963 486 E HN -0.683 7.601 8.360 0.008 0.081 0.432 487 Q N 4.698 124.512 119.800 0.025 0.000 2.413 487 Q HA 0.373 nan 4.340 nan 0.000 0.258 487 Q C -0.768 175.271 176.000 0.065 0.000 1.037 487 Q CA -1.516 54.309 55.803 0.037 0.000 0.764 487 Q CB 1.035 29.776 28.738 0.006 0.000 1.217 487 Q HN 0.193 8.474 8.270 0.017 0.000 0.490 488 I N 2.417 123.046 120.570 0.099 0.000 2.336 488 I HA 0.362 nan 4.170 nan 0.000 0.292 488 I C -2.203 173.960 176.117 0.078 0.000 0.991 488 I CA -1.397 59.965 61.300 0.104 0.000 1.227 488 I CB 2.037 40.136 38.000 0.166 0.000 1.366 488 I HN 0.077 8.361 8.210 0.122 0.000 0.466 489 R N 7.885 128.423 120.500 0.062 0.000 2.216 489 R HA 0.460 nan 4.340 nan 0.000 0.332 489 R C -0.985 175.348 176.300 0.054 0.000 1.056 489 R CA 0.027 56.153 56.100 0.043 0.000 0.901 489 R CB 0.274 30.598 30.300 0.040 0.000 1.039 489 R HN 0.243 8.550 8.270 0.062 0.000 0.456 490 L N 1.827 123.073 121.223 0.038 0.000 2.376 490 L HA 0.515 nan 4.340 nan 0.000 0.258 490 L C -1.930 174.971 176.870 0.052 0.000 1.013 490 L CA -2.391 52.490 54.840 0.068 0.000 0.822 490 L CB 2.580 44.699 42.059 0.101 0.000 1.388 490 L HN 0.730 8.962 8.230 0.004 0.000 0.413 491 H N 0.498 119.580 119.070 0.020 0.000 2.652 491 H HA 0.107 nan 4.556 nan 0.000 0.349 491 H C 1.515 176.849 175.328 0.010 0.000 1.099 491 H CA 1.250 57.309 56.048 0.019 0.000 1.417 491 H CB 2.030 31.809 29.762 0.029 0.000 1.457 491 H HN -0.329 8.303 8.280 0.202 -0.230 0.568 492 V N 6.470 126.082 119.914 -0.502 0.000 2.250 492 V HA -0.623 nan 4.120 nan 0.000 0.253 492 V C 1.787 177.915 176.094 0.056 0.000 1.065 492 V CA 4.745 66.913 62.300 -0.219 0.000 1.039 492 V CB -0.597 31.070 31.823 -0.259 0.000 0.647 492 V HN 0.251 7.799 8.190 -1.070 0.000 0.446 493 D N -2.042 118.558 120.400 0.333 0.000 2.158 493 D HA -0.291 nan 4.640 nan 0.000 0.197 493 D C 2.667 179.059 176.300 0.154 0.000 0.995 493 D CA 3.108 57.251 54.000 0.237 0.000 0.846 493 D CB -0.625 40.309 40.800 0.223 0.000 0.941 493 D HN -0.100 8.648 8.370 0.630 0.000 0.456 494 E N -0.424 119.889 120.200 0.188 0.000 2.072 494 E HA -0.240 nan 4.350 nan 0.000 0.190 494 E C 2.383 179.043 176.600 0.100 0.000 0.982 494 E CA 2.317 58.792 56.400 0.126 0.000 0.803 494 E CB -0.037 29.747 29.700 0.139 0.000 0.755 494 E HN -0.324 8.109 8.360 0.311 0.113 0.453 495 L N 0.374 121.627 121.223 0.050 0.000 2.089 495 L HA -0.401 nan 4.340 nan 0.000 0.213 495 L C 1.265 178.109 176.870 -0.043 0.000 1.079 495 L CA 3.225 58.034 54.840 -0.052 0.000 0.758 495 L CB -0.536 41.447 42.059 -0.127 0.000 0.891 495 L HN -0.040 8.147 8.230 0.059 0.079 0.433 496 E N -1.788 118.413 120.200 0.001 0.000 2.077 496 E HA -0.322 nan 4.350 nan 0.000 0.193 496 E C 2.439 179.056 176.600 0.029 0.000 0.989 496 E CA 3.553 59.956 56.400 0.005 0.000 0.800 496 E CB -0.507 29.206 29.700 0.023 0.000 0.746 496 E HN -0.351 8.002 8.360 0.024 0.022 0.452 497 G N -0.782 108.052 108.800 0.057 0.000 2.402 497 G HA2 -0.271 nan 3.960 nan 0.000 0.216 497 G HA3 -0.271 nan 3.960 nan 0.000 0.216 497 G C 1.207 176.166 174.900 0.098 0.000 1.162 497 G CA 1.624 46.762 45.100 0.064 0.000 0.777 497 G HN -0.263 7.974 8.290 0.062 0.091 0.539 498 F N 3.475 123.373 119.950 -0.087 0.000 2.043 498 F HA -0.385 nan 4.527 nan 0.000 0.297 498 F C 1.851 177.530 175.800 -0.201 0.000 1.118 498 F CA 2.274 60.191 58.000 -0.139 0.000 1.202 498 F CB 0.091 38.980 39.000 -0.184 0.000 0.965 498 F HN -0.286 8.140 8.300 0.210 0.000 0.482 499 L N -2.625 118.687 121.223 0.148 0.000 2.046 499 L HA -0.508 nan 4.340 nan 0.000 0.208 499 L C 2.197 179.093 176.870 0.043 0.000 1.077 499 L CA 3.118 57.944 54.840 -0.024 0.000 0.747 499 L CB -0.912 41.066 42.059 -0.134 0.000 0.896 499 L HN -0.394 7.866 8.230 0.050 0.000 0.432 500 R N -2.043 118.483 120.500 0.043 0.000 2.133 500 R HA -0.418 nan 4.340 nan 0.000 0.247 500 R C 2.531 178.860 176.300 0.048 0.000 1.151 500 R CA 2.862 58.988 56.100 0.043 0.000 0.971 500 R CB -0.829 29.495 30.300 0.040 0.000 0.866 500 R HN -0.374 7.854 8.270 0.041 0.067 0.447 501 E N -2.224 118.003 120.200 0.045 0.000 2.086 501 E HA -0.182 nan 4.350 nan 0.000 0.190 501 E C 2.262 178.893 176.600 0.051 0.000 0.975 501 E CA 2.305 58.722 56.400 0.029 0.000 0.813 501 E CB 0.141 29.830 29.700 -0.020 0.000 0.768 501 E HN -0.405 7.863 8.360 0.051 0.123 0.457 502 R N -1.395 119.163 120.500 0.097 0.000 2.055 502 R HA -0.195 nan 4.340 nan 0.000 0.226 502 R C 2.337 178.722 176.300 0.141 0.000 1.135 502 R CA 1.634 57.841 56.100 0.179 0.000 0.959 502 R CB 0.057 30.625 30.300 0.446 0.000 0.854 502 R HN -0.512 7.819 8.270 0.103 0.000 0.431 503 L N -3.918 117.387 121.223 0.136 0.000 2.551 503 L HA -0.154 nan 4.340 nan 0.000 0.228 503 L C 0.060 176.910 176.870 -0.034 0.000 1.153 503 L CA 0.264 55.135 54.840 0.051 0.000 0.851 503 L CB -0.605 41.499 42.059 0.076 0.000 0.959 503 L HN -0.404 7.912 8.230 0.142 0.000 0.451 504 R N -0.606 119.905 120.500 0.017 0.000 2.438 504 R HA -0.089 nan 4.340 nan 0.000 0.287 504 R C -0.485 175.858 176.300 0.071 0.000 1.077 504 R CA -0.704 55.425 56.100 0.050 0.000 1.034 504 R CB 0.558 30.909 30.300 0.085 0.000 0.993 504 R HN -0.920 7.318 8.270 0.045 0.059 0.459 505 W N 0.000 121.337 121.300 0.062 0.000 2.388 505 W HA 0.000 nan 4.660 nan 0.000 0.303 505 W CA 0.000 57.378 57.345 0.054 0.000 1.226 505 W CB 0.000 29.498 29.460 0.063 0.000 1.126 505 W HN 0.000 8.336 8.180 0.261 0.000 0.535