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 1kfi_1_B DATA FIRST_RESID 3 DATA SEQUENCE QVIPAPRVQV TQPYAGQKPG TSGLRKKVSE ATQPNYLENF VQSIFNTLRK DATA SEQUENCE DELKPKNVLF VGGDGRYFNR QAIFSIIRLA YANDISEVHV GQAGLMSTPA DATA SEQUENCE SSHYIRKVNE EVGNCIGGII LTASHNPGGK EHGDFGIKFN VRTGAPAPED DATA SEQUENCE FTDQIYTHTT KIKEYLTVDY EFEKHINLDQ IGVYKFEGTR LEKSHFEVKV DATA SEQUENCE VDTVQDYTQL MQKLFDFDLL KGLFSNKDFS FRFDGMHGVA GPYAKHIFGT DATA SEQUENCE LLGCSKESLL NCDPSEDFGG GHPDPNLTYA HDLVELLDIH KKKDVGTVPQ DATA SEQUENCE FGAACDGDAD RNMILGRQFF VTPSDSLAVI AANANLIFKN GLLGAARSMP DATA SEQUENCE TSGALDKVAA KNGIKLFETP TGWKFFGNLM DAGLINLCGE ESFGTGSNHI DATA SEQUENCE REKDGIWAVL AWLTILAHKN KNTDHFVTVE EIVTQYWQQF GRNYYSRYDY DATA SEQUENCE EQVDSAGANK MMEHLKTKFQ YFEQLKQGNK ADIYDYVDPV DQSVSKNQGV DATA SEQUENCE RFVFGDGSRI IFRLSGTGSV GATIRIYFEQ FEQQQIQHET ATALANIIKL DATA SEQUENCE GLEISDIAQF TGRNEPTVIT 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.126 176.000 0.209 0.000 1.003 3 Q CA 0.000 55.960 55.803 0.262 0.000 1.022 3 Q CB 0.000 28.834 28.738 0.160 0.000 1.108 4 V N 3.578 123.566 119.914 0.123 0.000 3.865 4 V HA -0.249 3.871 4.120 -0.000 0.000 0.463 4 V C -0.105 175.912 176.094 -0.127 0.000 0.682 4 V CA 0.958 63.272 62.300 0.025 0.000 1.913 4 V CB -1.202 30.650 31.823 0.049 0.000 2.326 4 V HN 0.676 nan 8.190 nan 0.000 0.496 5 I N 6.801 127.107 120.570 -0.441 0.000 2.668 5 I HA 0.159 4.329 4.170 -0.000 0.000 0.285 5 I C -1.438 174.490 176.117 -0.314 0.000 1.168 5 I CA -1.121 59.691 61.300 -0.814 0.000 1.424 5 I CB 0.472 37.712 38.000 -1.267 0.000 1.377 5 I HN 0.377 nan 8.210 nan 0.000 0.560 6 P HA 0.117 nan 4.420 nan 0.000 0.274 6 P C -0.465 176.874 177.300 0.065 0.000 1.256 6 P CA -0.399 62.686 63.100 -0.025 0.000 0.795 6 P CB 0.532 32.236 31.700 0.007 0.000 1.038 7 A N 2.074 124.940 122.820 0.077 0.000 2.536 7 A HA 0.241 4.561 4.320 -0.000 0.000 0.234 7 A C -2.036 175.622 177.584 0.124 0.000 1.076 7 A CA -0.509 51.584 52.037 0.093 0.000 0.769 7 A CB -1.693 17.329 19.000 0.036 0.000 1.020 7 A HN 0.415 nan 8.150 nan 0.000 0.508 8 P HA 0.204 nan 4.420 nan 0.000 0.271 8 P C -0.403 176.922 177.300 0.043 0.000 1.218 8 P CA -0.118 63.035 63.100 0.088 0.000 0.780 8 P CB 0.472 32.161 31.700 -0.019 0.000 0.901 9 R N 2.716 123.241 120.500 0.042 0.000 2.387 9 R HA 0.352 4.692 4.340 -0.000 0.000 0.314 9 R C -1.290 174.989 176.300 -0.036 0.000 0.958 9 R CA -0.758 55.345 56.100 0.005 0.000 0.846 9 R CB 1.013 31.319 30.300 0.011 0.000 1.147 9 R HN 0.233 nan 8.270 nan 0.000 0.447 10 V N 4.811 124.694 119.914 -0.053 0.000 2.439 10 V HA 0.032 4.152 4.120 -0.000 0.000 0.271 10 V C 0.202 176.207 176.094 -0.149 0.000 1.040 10 V CA -0.056 62.193 62.300 -0.085 0.000 1.002 10 V CB 1.010 32.797 31.823 -0.059 0.000 1.000 10 V HN 0.626 nan 8.190 nan 0.000 0.477 11 Q N 5.261 124.891 119.800 -0.283 0.000 2.394 11 Q HA 0.406 4.746 4.340 -0.000 0.000 0.259 11 Q C -0.832 174.962 176.000 -0.344 0.000 1.021 11 Q CA -0.300 55.252 55.803 -0.418 0.000 0.805 11 Q CB 1.552 29.767 28.738 -0.872 0.000 1.226 11 Q HN 0.564 nan 8.270 nan 0.000 0.476 12 V N 3.738 123.551 119.914 -0.168 0.000 2.655 12 V HA 0.368 4.488 4.120 -0.000 0.000 0.300 12 V C 0.452 176.521 176.094 -0.042 0.000 1.044 12 V CA 0.382 62.635 62.300 -0.079 0.000 1.095 12 V CB 1.131 32.928 31.823 -0.044 0.000 0.952 12 V HN 0.879 nan 8.190 nan 0.000 0.485 13 T N 4.011 118.585 114.554 0.034 0.000 2.883 13 T HA 0.368 4.718 4.350 -0.000 0.000 0.301 13 T C -1.005 173.743 174.700 0.079 0.000 1.158 13 T CA -0.583 61.585 62.100 0.112 0.000 1.007 13 T CB 1.845 70.888 68.868 0.292 0.000 1.186 13 T HN 0.777 nan 8.240 nan 0.000 0.499 14 Q N 2.765 122.598 119.800 0.055 0.000 2.290 14 Q HA 0.468 4.808 4.340 -0.000 0.000 0.259 14 Q C -2.377 173.604 176.000 -0.031 0.000 0.941 14 Q CA -2.112 53.681 55.803 -0.017 0.000 0.912 14 Q CB 1.283 29.971 28.738 -0.083 0.000 1.244 14 Q HN 0.376 nan 8.270 nan 0.000 0.441 15 P HA -0.041 nan 4.420 nan 0.000 0.270 15 P C -1.538 175.758 177.300 -0.006 0.000 1.221 15 P CA 0.454 63.580 63.100 0.043 0.000 0.788 15 P CB 0.296 32.011 31.700 0.025 0.000 0.904 16 Y N -0.424 119.929 120.300 0.088 0.000 2.406 16 Y HA 0.570 5.120 4.550 -0.000 0.000 0.340 16 Y C 0.308 176.289 175.900 0.135 0.000 0.975 16 Y CA -0.757 57.429 58.100 0.142 0.000 1.056 16 Y CB 1.682 40.288 38.460 0.243 0.000 1.210 16 Y HN 0.347 nan 8.280 nan 0.000 0.448 17 A N 1.378 124.381 122.820 0.305 0.000 2.279 17 A HA 0.624 4.944 4.320 -0.000 0.000 0.303 17 A C 1.024 178.787 177.584 0.298 0.000 1.108 17 A CA 0.140 52.327 52.037 0.250 0.000 0.830 17 A CB 0.086 19.191 19.000 0.175 0.000 1.106 17 A HN 1.562 nan 8.150 nan 0.000 0.493 18 G N -0.421 108.565 108.800 0.311 0.000 2.175 18 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 18 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 18 G C 0.246 175.286 174.900 0.234 0.000 0.982 18 G CA 0.500 45.743 45.100 0.239 0.000 0.641 18 G HN 0.792 nan 8.290 nan 0.000 0.527 19 Q N 0.279 120.263 119.800 0.306 0.000 3.122 19 Q HA 0.285 4.625 4.340 -0.000 0.000 0.360 19 Q C 0.316 176.508 176.000 0.320 0.000 1.300 19 Q CA 0.031 55.937 55.803 0.171 0.000 0.982 19 Q CB 0.191 28.984 28.738 0.091 0.000 1.534 19 Q HN 0.392 nan 8.270 nan 0.000 0.474 20 K N 1.777 122.256 120.400 0.132 0.000 2.404 20 K HA 0.315 4.635 4.320 -0.000 0.000 0.257 20 K C -2.608 173.987 176.600 -0.009 0.000 1.026 20 K CA -2.175 54.082 56.287 -0.050 0.000 0.951 20 K CB 0.999 33.112 32.500 -0.645 0.000 1.203 20 K HN -0.022 nan 8.250 nan 0.000 0.446 21 P HA -0.023 nan 4.420 nan 0.000 0.259 21 P C 0.081 177.414 177.300 0.054 0.000 1.211 21 P CA 0.130 63.309 63.100 0.131 0.000 0.810 21 P CB 0.712 32.590 31.700 0.298 0.000 0.815 22 G N 2.776 111.583 108.800 0.012 0.000 2.593 22 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.279 22 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.279 22 G C 1.343 176.245 174.900 0.003 0.000 1.329 22 G CA 0.259 45.358 45.100 -0.003 0.000 1.036 22 G HN 0.469 nan 8.290 nan 0.000 0.555 23 T N -2.274 112.277 114.554 -0.005 0.000 2.760 23 T HA -0.213 4.137 4.350 -0.000 0.000 0.269 23 T C 1.912 176.573 174.700 -0.065 0.000 1.047 23 T CA 1.961 64.053 62.100 -0.013 0.000 1.139 23 T CB -0.390 68.478 68.868 -0.000 0.000 0.855 23 T HN 0.912 nan 8.240 nan 0.000 0.471 24 S N 0.539 116.183 115.700 -0.093 0.000 2.537 24 S HA 0.580 5.050 4.470 -0.000 0.000 0.246 24 S C 0.922 175.474 174.600 -0.081 0.000 1.036 24 S CA -0.183 57.927 58.200 -0.150 0.000 1.041 24 S CB -0.569 62.492 63.200 -0.231 0.000 0.799 24 S HN 1.330 nan 8.310 nan 0.000 0.456 25 G N 1.223 110.018 108.800 -0.008 0.000 2.814 25 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.677 25 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.677 25 G C -0.619 174.299 174.900 0.030 0.000 1.429 25 G CA -0.532 44.604 45.100 0.061 0.000 0.868 25 G HN 0.909 nan 8.290 nan 0.000 0.553 26 L N 0.586 121.843 121.223 0.056 0.000 2.525 26 L HA 0.594 4.934 4.340 -0.000 0.000 0.278 26 L C 0.945 177.770 176.870 -0.075 0.000 1.218 26 L CA 0.795 55.585 54.840 -0.084 0.000 0.878 26 L CB 0.140 41.942 42.059 -0.430 0.000 1.127 26 L HN 0.672 nan 8.230 nan 0.000 0.492 27 R N 4.853 125.326 120.500 -0.044 0.000 2.510 27 R HA 0.555 4.895 4.340 -0.000 0.000 0.287 27 R C -1.102 175.218 176.300 0.033 0.000 1.084 27 R CA -0.974 55.121 56.100 -0.007 0.000 0.934 27 R CB 1.809 32.097 30.300 -0.020 0.000 1.201 27 R HN 0.482 nan 8.270 nan 0.000 0.431 28 K N 1.545 121.994 120.400 0.082 0.000 2.495 28 K HA 0.361 4.681 4.320 -0.000 0.000 0.268 28 K C -0.865 175.783 176.600 0.081 0.000 1.008 28 K CA -1.000 55.327 56.287 0.067 0.000 0.882 28 K CB 2.259 34.796 32.500 0.062 0.000 1.443 28 K HN 0.324 nan 8.250 nan 0.000 0.447 29 K N 0.740 121.157 120.400 0.028 0.000 2.295 29 K HA 0.088 4.408 4.320 -0.000 0.000 0.270 29 K C 1.169 177.773 176.600 0.006 0.000 1.011 29 K CA -0.129 56.176 56.287 0.029 0.000 0.953 29 K CB 0.802 33.298 32.500 -0.005 0.000 0.956 29 K HN 0.274 nan 8.250 nan 0.000 0.477 30 V N 2.726 122.662 119.914 0.037 0.000 2.231 30 V HA -0.344 3.776 4.120 -0.000 0.000 0.250 30 V C 2.083 178.075 176.094 -0.170 0.000 1.058 30 V CA 2.365 64.648 62.300 -0.027 0.000 1.022 30 V CB -0.607 31.244 31.823 0.046 0.000 0.640 30 V HN 0.947 nan 8.190 nan 0.000 0.445 31 S N -0.848 114.766 115.700 -0.143 0.000 2.399 31 S HA -0.379 4.091 4.470 -0.000 0.000 0.235 31 S C 1.994 176.455 174.600 -0.232 0.000 1.063 31 S CA 2.335 60.433 58.200 -0.171 0.000 1.070 31 S CB -0.438 62.685 63.200 -0.127 0.000 0.904 31 S HN 0.796 nan 8.310 nan 0.000 0.456 32 E N 0.653 120.696 120.200 -0.261 0.000 2.112 32 E HA 0.011 4.361 4.350 -0.000 0.000 0.190 32 E C 2.173 178.322 176.600 -0.752 0.000 0.979 32 E CA 0.677 56.816 56.400 -0.437 0.000 0.814 32 E CB -0.213 29.264 29.700 -0.372 0.000 0.762 32 E HN 0.492 nan 8.360 nan 0.000 0.460 33 A N 0.652 123.195 122.820 -0.462 0.000 1.933 33 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 33 A C 2.312 179.753 177.584 -0.238 0.000 1.175 33 A CA 1.929 53.832 52.037 -0.224 0.000 0.628 33 A CB -0.926 18.060 19.000 -0.023 0.000 0.814 33 A HN 0.435 nan 8.150 nan 0.000 0.444 34 T N -1.442 112.842 114.554 -0.450 0.000 3.194 34 T HA 0.139 4.489 4.350 -0.000 0.000 0.251 34 T C 0.626 175.201 174.700 -0.208 0.000 1.132 34 T CA -0.072 61.753 62.100 -0.459 0.000 1.028 34 T CB -0.416 68.083 68.868 -0.614 0.000 0.976 34 T HN 0.564 nan 8.240 nan 0.000 0.535 35 Q N 2.147 121.826 119.800 -0.202 0.000 2.428 35 Q HA 0.157 4.497 4.340 -0.000 0.000 0.276 35 Q C -2.454 173.595 176.000 0.081 0.000 1.059 35 Q CA -1.687 54.076 55.803 -0.067 0.000 0.923 35 Q CB -0.142 28.528 28.738 -0.114 0.000 1.283 35 Q HN 0.196 nan 8.270 nan 0.000 0.447 36 P HA -0.178 nan 4.420 nan 0.000 0.256 36 P C -0.817 176.672 177.300 0.315 0.000 1.173 36 P CA 0.985 64.209 63.100 0.207 0.000 0.768 36 P CB -0.041 31.772 31.700 0.187 0.000 0.758 37 N N -0.218 118.622 118.700 0.234 0.000 2.800 37 N HA -0.315 4.425 4.740 -0.000 0.000 0.250 37 N C 0.415 176.008 175.510 0.138 0.000 1.078 37 N CA 0.121 53.300 53.050 0.216 0.000 0.804 37 N CB -1.503 37.211 38.487 0.379 0.000 1.135 37 N HN 0.436 nan 8.380 nan 0.000 0.565 38 Y N 1.278 121.496 120.300 -0.138 0.000 2.109 38 Y HA -0.078 4.472 4.550 -0.000 0.000 0.285 38 Y C 2.248 178.038 175.900 -0.183 0.000 1.131 38 Y CA 1.924 59.764 58.100 -0.433 0.000 1.121 38 Y CB -0.476 37.659 38.460 -0.542 0.000 0.987 38 Y HN 0.252 nan 8.280 nan 0.000 0.495 39 L N 0.768 121.947 121.223 -0.073 0.000 1.970 39 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 39 L C 2.044 178.833 176.870 -0.136 0.000 1.071 39 L CA 2.274 57.080 54.840 -0.058 0.000 0.751 39 L CB -1.007 41.080 42.059 0.047 0.000 0.889 39 L HN 0.212 nan 8.230 nan 0.000 0.432 40 E N -0.084 119.974 120.200 -0.236 0.000 2.130 40 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 40 E C 1.989 178.292 176.600 -0.495 0.000 0.998 40 E CA 1.612 57.712 56.400 -0.500 0.000 0.806 40 E CB -0.430 28.659 29.700 -1.018 0.000 0.738 40 E HN 0.522 nan 8.360 nan 0.000 0.459 41 N N -0.667 117.842 118.700 -0.318 0.000 2.223 41 N HA -0.120 4.620 4.740 -0.000 0.000 0.185 41 N C 1.261 176.722 175.510 -0.082 0.000 1.016 41 N CA 0.728 53.701 53.050 -0.128 0.000 0.863 41 N CB -0.188 38.318 38.487 0.031 0.000 0.983 41 N HN 0.112 nan 8.380 nan 0.000 0.429 42 F N 0.726 120.499 119.950 -0.295 0.000 2.118 42 F HA 0.003 4.530 4.527 -0.000 0.000 0.293 42 F C 2.042 177.674 175.800 -0.280 0.000 1.102 42 F CA 0.643 58.486 58.000 -0.261 0.000 1.247 42 F CB -0.626 38.203 39.000 -0.284 0.000 1.017 42 F HN -0.213 nan 8.300 nan 0.000 0.475 43 V N 0.474 120.211 119.914 -0.294 0.000 2.324 43 V HA -0.350 3.770 4.120 -0.000 0.000 0.250 43 V C 2.368 178.056 176.094 -0.676 0.000 1.060 43 V CA 2.256 64.225 62.300 -0.551 0.000 1.042 43 V CB -0.924 30.643 31.823 -0.425 0.000 0.650 43 V HN 0.381 nan 8.190 nan 0.000 0.450 44 Q N 0.453 120.027 119.800 -0.376 0.000 2.084 44 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 44 Q C 2.296 178.162 176.000 -0.223 0.000 0.978 44 Q CA 2.282 57.982 55.803 -0.172 0.000 0.844 44 Q CB -0.514 28.206 28.738 -0.031 0.000 0.898 44 Q HN 0.614 nan 8.270 nan 0.000 0.426 45 S N -0.012 115.520 115.700 -0.280 0.000 2.399 45 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 45 S C 1.806 176.145 174.600 -0.435 0.000 1.022 45 S CA 1.185 59.201 58.200 -0.307 0.000 0.983 45 S CB -0.311 62.784 63.200 -0.175 0.000 0.803 45 S HN 0.409 nan 8.310 nan 0.000 0.480 46 I N 0.532 120.766 120.570 -0.560 0.000 2.142 46 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 46 I C 1.899 177.783 176.117 -0.388 0.000 1.078 46 I CA 1.544 62.485 61.300 -0.598 0.000 1.343 46 I CB -0.501 36.996 38.000 -0.839 0.000 1.046 46 I HN 0.276 nan 8.210 nan 0.000 0.405 47 F N 1.027 120.760 119.950 -0.362 0.000 2.250 47 F HA -0.232 4.295 4.527 -0.000 0.000 0.301 47 F C 2.222 177.860 175.800 -0.271 0.000 1.077 47 F CA 1.135 58.976 58.000 -0.266 0.000 1.348 47 F CB -0.507 38.376 39.000 -0.195 0.000 1.040 47 F HN 0.223 nan 8.300 nan 0.000 0.509 48 N N -0.759 117.817 118.700 -0.207 0.000 2.354 48 N HA -0.103 4.637 4.740 -0.000 0.000 0.179 48 N C 1.471 176.695 175.510 -0.477 0.000 1.021 48 N CA 1.161 53.950 53.050 -0.435 0.000 0.887 48 N CB -0.032 37.966 38.487 -0.816 0.000 0.974 48 N HN 0.102 nan 8.380 nan 0.000 0.437 49 T N 1.245 115.556 114.554 -0.405 0.000 2.904 49 T HA 0.056 4.406 4.350 -0.000 0.000 0.267 49 T C 0.865 175.485 174.700 -0.133 0.000 1.059 49 T CA 0.468 62.389 62.100 -0.298 0.000 1.137 49 T CB 0.068 68.502 68.868 -0.723 0.000 0.879 49 T HN 0.092 nan 8.240 nan 0.000 0.467 50 L N 1.852 123.067 121.223 -0.014 0.000 2.452 50 L HA 0.324 4.664 4.340 -0.000 0.000 0.267 50 L C 0.472 177.377 176.870 0.059 0.000 1.188 50 L CA -0.903 54.015 54.840 0.130 0.000 0.821 50 L CB 0.296 42.445 42.059 0.150 0.000 1.102 50 L HN -0.049 nan 8.230 nan 0.000 0.470 51 R N 1.662 122.209 120.500 0.079 0.000 2.570 51 R HA -0.017 4.323 4.340 -0.000 0.000 0.277 51 R C 1.237 177.546 176.300 0.015 0.000 1.039 51 R CA -0.016 56.109 56.100 0.042 0.000 1.065 51 R CB 0.196 30.524 30.300 0.048 0.000 0.964 51 R HN 0.516 nan 8.270 nan 0.000 0.428 52 K N 1.392 121.790 120.400 -0.003 0.000 2.211 52 K HA -0.220 4.100 4.320 -0.000 0.000 0.204 52 K C 0.300 176.884 176.600 -0.026 0.000 1.047 52 K CA 2.131 58.403 56.287 -0.025 0.000 0.935 52 K CB -0.069 32.414 32.500 -0.027 0.000 0.728 52 K HN 0.725 nan 8.250 nan 0.000 0.452 53 D N 0.610 121.004 120.400 -0.010 0.000 2.363 53 D HA -0.071 4.569 4.640 -0.000 0.000 0.226 53 D C 1.182 177.478 176.300 -0.006 0.000 1.020 53 D CA 0.269 54.262 54.000 -0.011 0.000 0.892 53 D CB 0.259 41.056 40.800 -0.004 0.000 0.900 53 D HN 0.414 nan 8.370 nan 0.000 0.531 54 E N 0.020 120.221 120.200 0.002 0.000 2.299 54 E HA 0.047 4.397 4.350 -0.000 0.000 0.193 54 E C 1.764 178.359 176.600 -0.009 0.000 0.998 54 E CA 0.312 56.719 56.400 0.013 0.000 0.851 54 E CB 0.130 29.857 29.700 0.045 0.000 0.795 54 E HN 0.445 nan 8.360 nan 0.000 0.492 55 L N 0.660 121.859 121.223 -0.039 0.000 2.341 55 L HA -0.016 4.324 4.340 -0.000 0.000 0.214 55 L C 2.099 178.925 176.870 -0.073 0.000 1.115 55 L CA 0.395 55.185 54.840 -0.082 0.000 0.820 55 L CB -0.166 41.806 42.059 -0.145 0.000 0.944 55 L HN -0.061 nan 8.230 nan 0.000 0.452 56 K N 0.206 120.574 120.400 -0.053 0.000 2.103 56 K HA 0.058 4.378 4.320 -0.000 0.000 0.204 56 K C -1.359 175.224 176.600 -0.029 0.000 1.052 56 K CA 0.381 56.640 56.287 -0.047 0.000 0.945 56 K CB -1.349 31.128 32.500 -0.038 0.000 0.722 56 K HN 0.330 nan 8.250 nan 0.000 0.443 57 P HA 0.047 nan 4.420 nan 0.000 0.275 57 P C -0.506 176.796 177.300 0.002 0.000 1.266 57 P CA -0.329 62.767 63.100 -0.006 0.000 0.793 57 P CB 0.483 32.182 31.700 -0.003 0.000 1.074 58 K N 1.915 122.322 120.400 0.013 0.000 2.361 58 K HA 0.025 4.345 4.320 -0.000 0.000 0.283 58 K C -0.210 176.401 176.600 0.019 0.000 1.078 58 K CA -0.013 56.289 56.287 0.027 0.000 1.041 58 K CB -0.709 31.811 32.500 0.033 0.000 0.932 58 K HN 0.422 nan 8.250 nan 0.000 0.462 59 N N 1.562 120.275 118.700 0.021 0.000 2.380 59 N HA 0.400 5.140 4.740 -0.000 0.000 0.290 59 N C -1.422 174.096 175.510 0.013 0.000 1.236 59 N CA -0.917 52.140 53.050 0.012 0.000 0.780 59 N CB 1.704 40.198 38.487 0.011 0.000 1.438 59 N HN 0.039 nan 8.380 nan 0.000 0.491 60 V N 0.589 120.492 119.914 -0.019 0.000 2.495 60 V HA 0.487 4.607 4.120 -0.000 0.000 0.298 60 V C -0.984 175.116 176.094 0.011 0.000 1.031 60 V CA -0.810 61.444 62.300 -0.078 0.000 0.871 60 V CB 1.353 33.009 31.823 -0.279 0.000 0.988 60 V HN 0.672 nan 8.190 nan 0.000 0.432 61 L N 5.799 127.068 121.223 0.076 0.000 2.316 61 L HA 0.613 4.953 4.340 -0.000 0.000 0.280 61 L C -0.865 176.140 176.870 0.225 0.000 1.006 61 L CA -0.052 54.899 54.840 0.185 0.000 0.836 61 L CB 0.956 43.149 42.059 0.223 0.000 1.221 61 L HN 0.527 nan 8.230 nan 0.000 0.418 62 F N 5.643 125.656 119.950 0.105 0.000 2.380 62 F HA 0.711 5.238 4.527 -0.000 0.000 0.325 62 F C -0.457 175.398 175.800 0.092 0.000 1.136 62 F CA -0.374 57.697 58.000 0.117 0.000 1.171 62 F CB 1.335 40.440 39.000 0.176 0.000 1.230 62 F HN 0.189 nan 8.300 nan 0.000 0.554 63 V N 4.201 123.445 119.914 -1.117 0.000 2.509 63 V HA 0.533 4.653 4.120 -0.000 0.000 0.289 63 V C 0.107 175.548 176.094 -1.088 0.000 1.026 63 V CA -0.577 61.268 62.300 -0.757 0.000 0.872 63 V CB 0.729 32.307 31.823 -0.407 0.000 1.017 63 V HN 1.065 nan 8.190 nan 0.000 0.436 64 G N 2.087 110.497 108.800 -0.651 0.000 2.491 64 G HA2 0.864 4.823 3.960 -0.000 0.000 0.327 64 G HA3 0.864 4.823 3.960 -0.000 0.000 0.327 64 G C -0.162 174.663 174.900 -0.126 0.000 1.189 64 G CA -0.380 44.549 45.100 -0.285 0.000 0.956 64 G HN 1.195 nan 8.290 nan 0.000 0.491 65 G N -0.941 107.847 108.800 -0.021 0.000 2.667 65 G HA2 0.445 4.405 3.960 -0.000 0.000 0.294 65 G HA3 0.445 4.405 3.960 -0.000 0.000 0.294 65 G C -0.176 174.769 174.900 0.074 0.000 1.467 65 G CA 0.111 45.210 45.100 -0.002 0.000 0.852 65 G HN 0.559 nan 8.290 nan 0.000 0.521 66 D N -0.605 119.853 120.400 0.096 0.000 2.339 66 D HA 0.251 4.891 4.640 -0.000 0.000 0.217 66 D C 1.555 177.982 176.300 0.211 0.000 1.050 66 D CA 1.017 55.129 54.000 0.186 0.000 0.856 66 D CB 0.393 41.328 40.800 0.225 0.000 0.922 66 D HN 1.688 nan 8.370 nan 0.000 0.518 67 G N 1.683 110.550 108.800 0.111 0.000 2.254 67 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.225 67 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.225 67 G C 0.478 175.351 174.900 -0.045 0.000 1.003 67 G CA 0.060 45.186 45.100 0.044 0.000 0.622 67 G HN 0.702 nan 8.290 nan 0.000 0.507 68 R N -0.056 120.410 120.500 -0.056 0.000 2.644 68 R HA 0.218 4.558 4.340 -0.000 0.000 0.265 68 R C 0.684 177.030 176.300 0.076 0.000 0.985 68 R CA 0.116 56.144 56.100 -0.119 0.000 1.097 68 R CB 0.127 30.503 30.300 0.126 0.000 0.931 68 R HN 0.708 nan 8.270 nan 0.000 0.419 69 Y N 3.758 124.058 120.300 -0.001 0.000 2.904 69 Y HA -0.128 4.422 4.550 -0.000 0.000 0.336 69 Y C 0.613 176.698 175.900 0.309 0.000 1.263 69 Y CA 1.274 59.435 58.100 0.102 0.000 1.547 69 Y CB 0.168 38.661 38.460 0.056 0.000 1.272 69 Y HN 0.792 nan 8.280 nan 0.000 0.596 70 F N 3.389 122.816 119.950 -0.872 0.000 2.411 70 F HA -0.387 4.140 4.527 -0.000 0.000 0.393 70 F C 0.682 176.366 175.800 -0.194 0.000 0.576 70 F CA 1.290 58.866 58.000 -0.706 0.000 1.609 70 F CB -1.762 36.793 39.000 -0.742 0.000 2.186 70 F HN 0.632 nan 8.300 nan 0.000 0.274 71 N N 0.733 119.395 118.700 -0.064 0.000 2.106 71 N HA -0.050 4.690 4.740 -0.000 0.000 0.188 71 N C 1.779 177.175 175.510 -0.190 0.000 1.029 71 N CA 1.880 54.926 53.050 -0.006 0.000 0.848 71 N CB -0.315 38.196 38.487 0.041 0.000 1.007 71 N HN 0.561 nan 8.380 nan 0.000 0.423 72 R N 0.739 121.143 120.500 -0.160 0.000 2.083 72 R HA -0.111 4.229 4.340 -0.000 0.000 0.237 72 R C 2.217 178.462 176.300 -0.091 0.000 1.137 72 R CA 1.424 57.461 56.100 -0.105 0.000 0.951 72 R CB -0.288 30.016 30.300 0.007 0.000 0.851 72 R HN 0.397 nan 8.270 nan 0.000 0.434 73 Q N -0.113 119.554 119.800 -0.221 0.000 2.084 73 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 73 Q C 2.241 178.013 176.000 -0.381 0.000 0.978 73 Q CA 1.661 57.326 55.803 -0.229 0.000 0.844 73 Q CB -0.148 28.418 28.738 -0.286 0.000 0.898 73 Q HN 0.404 nan 8.270 nan 0.000 0.426 74 A N 0.730 123.092 122.820 -0.764 0.000 1.902 74 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 74 A C 2.005 179.441 177.584 -0.247 0.000 1.181 74 A CA 1.099 52.809 52.037 -0.544 0.000 0.623 74 A CB -0.673 18.047 19.000 -0.467 0.000 0.818 74 A HN 0.324 nan 8.150 nan 0.000 0.443 75 I N -1.699 118.723 120.570 -0.246 0.000 2.069 75 I HA -0.297 3.873 4.170 -0.000 0.000 0.237 75 I C 2.242 178.195 176.117 -0.273 0.000 1.053 75 I CA 1.793 62.927 61.300 -0.277 0.000 1.311 75 I CB -0.516 37.250 38.000 -0.390 0.000 1.030 75 I HN 0.315 nan 8.210 nan 0.000 0.398 76 F N 0.424 120.286 119.950 -0.147 0.000 2.250 76 F HA -0.242 4.285 4.527 -0.000 0.000 0.301 76 F C 2.867 178.601 175.800 -0.109 0.000 1.077 76 F CA 1.552 59.480 58.000 -0.120 0.000 1.348 76 F CB -0.687 38.279 39.000 -0.056 0.000 1.040 76 F HN 0.018 nan 8.300 nan 0.000 0.509 77 S N -0.113 115.612 115.700 0.042 0.000 2.387 77 S HA -0.067 4.403 4.470 -0.000 0.000 0.226 77 S C 2.141 176.733 174.600 -0.015 0.000 1.026 77 S CA 0.810 59.020 58.200 0.017 0.000 0.972 77 S CB -0.286 62.891 63.200 -0.039 0.000 0.814 77 S HN 0.290 nan 8.310 nan 0.000 0.477 78 I N 1.311 121.845 120.570 -0.060 0.000 2.252 78 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 78 I C 2.049 178.174 176.117 0.014 0.000 1.102 78 I CA 1.092 62.371 61.300 -0.036 0.000 1.385 78 I CB -0.395 37.561 38.000 -0.073 0.000 1.064 78 I HN 0.305 nan 8.210 nan 0.000 0.414 79 I N 0.589 121.105 120.570 -0.090 0.000 2.163 79 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 79 I C 2.776 178.757 176.117 -0.227 0.000 1.085 79 I CA 1.575 62.777 61.300 -0.165 0.000 1.347 79 I CB -0.479 37.280 38.000 -0.401 0.000 1.044 79 I HN 0.204 nan 8.210 nan 0.000 0.408 80 R N 0.588 120.976 120.500 -0.187 0.000 2.081 80 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 80 R C 2.313 178.662 176.300 0.081 0.000 1.131 80 R CA 1.261 57.341 56.100 -0.032 0.000 0.960 80 R CB -0.358 30.023 30.300 0.134 0.000 0.856 80 R HN 0.362 nan 8.270 nan 0.000 0.436 81 L N 0.038 121.339 121.223 0.131 0.000 2.141 81 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 81 L C 2.646 179.659 176.870 0.238 0.000 1.094 81 L CA 0.842 55.828 54.840 0.243 0.000 0.763 81 L CB -0.591 41.639 42.059 0.285 0.000 0.908 81 L HN 0.237 nan 8.230 nan 0.000 0.437 82 A N 0.034 122.976 122.820 0.203 0.000 1.845 82 A HA -0.298 4.022 4.320 -0.000 0.000 0.215 82 A C 2.222 179.739 177.584 -0.111 0.000 1.195 82 A CA 1.753 53.823 52.037 0.056 0.000 0.616 82 A CB -1.046 18.088 19.000 0.223 0.000 0.832 82 A HN 0.441 nan 8.150 nan 0.000 0.443 83 Y N 0.767 120.856 120.300 -0.351 0.000 2.097 83 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 83 Y C 2.569 178.263 175.900 -0.343 0.000 1.152 83 Y CA 1.732 59.426 58.100 -0.677 0.000 1.136 83 Y CB -0.625 37.103 38.460 -1.220 0.000 0.975 83 Y HN 0.291 nan 8.280 nan 0.000 0.498 84 A N -0.009 122.774 122.820 -0.062 0.000 2.131 84 A HA -0.199 4.120 4.320 -0.000 0.000 0.220 84 A C 1.443 178.914 177.584 -0.187 0.000 1.158 84 A CA 1.761 53.754 52.037 -0.073 0.000 0.665 84 A CB -0.784 18.275 19.000 0.099 0.000 0.795 84 A HN 0.659 nan 8.150 nan 0.000 0.460 85 N N -0.786 117.761 118.700 -0.255 0.000 2.320 85 N HA 0.262 5.002 4.740 -0.000 0.000 0.237 85 N C -0.173 175.122 175.510 -0.358 0.000 1.129 85 N CA 0.460 53.313 53.050 -0.329 0.000 0.854 85 N CB 0.352 38.513 38.487 -0.544 0.000 1.083 85 N HN 0.369 nan 8.380 nan 0.000 0.504 86 D N -0.716 119.475 120.400 -0.349 0.000 3.079 86 D HA -0.195 4.445 4.640 -0.000 0.000 0.214 86 D C -0.559 175.626 176.300 -0.192 0.000 1.145 86 D CA 0.594 54.424 54.000 -0.284 0.000 0.958 86 D CB -1.144 39.530 40.800 -0.210 0.000 1.117 86 D HN 0.326 nan 8.370 nan 0.000 0.416 87 I N 0.412 120.871 120.570 -0.183 0.000 2.634 87 I HA 0.047 4.217 4.170 -0.000 0.000 0.284 87 I C 1.694 177.903 176.117 0.152 0.000 1.124 87 I CA -0.057 61.217 61.300 -0.042 0.000 1.417 87 I CB 1.301 39.269 38.000 -0.054 0.000 1.396 87 I HN -0.066 nan 8.210 nan 0.000 0.571 88 S N 3.466 119.253 115.700 0.146 0.000 2.371 88 S HA 0.036 4.506 4.470 -0.000 0.000 0.221 88 S C 0.203 174.900 174.600 0.161 0.000 1.036 88 S CA 0.671 58.994 58.200 0.205 0.000 0.965 88 S CB 0.031 63.304 63.200 0.122 0.000 0.845 88 S HN 0.633 nan 8.310 nan 0.000 0.475 89 E N 0.347 120.608 120.200 0.103 0.000 2.293 89 E HA 0.566 4.916 4.350 -0.000 0.000 0.270 89 E C -1.712 174.965 176.600 0.127 0.000 0.879 89 E CA -0.564 55.870 56.400 0.055 0.000 0.756 89 E CB 2.599 32.426 29.700 0.212 0.000 1.208 89 E HN -0.103 nan 8.360 nan 0.000 0.428 90 V N 2.813 122.792 119.914 0.108 0.000 2.407 90 V HA 0.250 4.370 4.120 -0.000 0.000 0.291 90 V C -1.046 175.224 176.094 0.294 0.000 1.018 90 V CA -0.873 61.528 62.300 0.168 0.000 0.842 90 V CB 0.953 32.811 31.823 0.057 0.000 0.996 90 V HN 0.615 nan 8.190 nan 0.000 0.426 91 H N 2.674 121.803 119.070 0.099 0.000 2.467 91 H HA 0.783 5.338 4.556 -0.000 0.000 0.326 91 H C -0.342 174.959 175.328 -0.045 0.000 1.094 91 H CA -0.607 55.528 56.048 0.146 0.000 1.253 91 H CB 1.848 31.856 29.762 0.410 0.000 1.439 91 H HN 0.473 nan 8.280 nan 0.000 0.479 92 V N 2.520 122.411 119.914 -0.039 0.000 2.851 92 V HA 0.681 4.800 4.120 -0.000 0.000 0.307 92 V C 0.241 176.264 176.094 -0.117 0.000 1.129 92 V CA -0.543 61.600 62.300 -0.261 0.000 0.932 92 V CB 2.030 33.679 31.823 -0.289 0.000 1.024 92 V HN 0.956 nan 8.190 nan 0.000 0.426 93 G N 3.584 112.326 108.800 -0.096 0.000 2.594 93 G HA2 0.311 4.271 3.960 -0.000 0.000 0.243 93 G HA3 0.311 4.271 3.960 -0.000 0.000 0.243 93 G C -0.099 174.779 174.900 -0.036 0.000 1.229 93 G CA -0.021 45.079 45.100 -0.000 0.000 0.843 93 G HN 1.119 nan 8.290 nan 0.000 0.578 94 Q N 0.320 120.110 119.800 -0.016 0.000 2.304 94 Q HA 0.269 4.609 4.340 -0.000 0.000 0.301 94 Q C 1.223 177.213 176.000 -0.017 0.000 1.063 94 Q CA 0.758 56.552 55.803 -0.015 0.000 0.947 94 Q CB 0.125 28.856 28.738 -0.011 0.000 1.201 94 Q HN 1.651 nan 8.270 nan 0.000 0.389 95 A N 2.990 125.801 122.820 -0.015 0.000 2.829 95 A HA -0.253 4.067 4.320 -0.000 0.000 0.267 95 A C 1.132 178.700 177.584 -0.026 0.000 1.370 95 A CA 1.465 53.498 52.037 -0.007 0.000 0.900 95 A CB -2.513 16.494 19.000 0.012 0.000 1.044 95 A HN 2.213 nan 8.150 nan 0.000 0.691 96 G N -3.586 105.176 108.800 -0.063 0.000 2.153 96 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.252 96 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.252 96 G C -0.165 174.708 174.900 -0.045 0.000 0.994 96 G CA 0.603 45.646 45.100 -0.094 0.000 0.698 96 G HN 1.437 nan 8.290 nan 0.000 0.521 97 L N -0.340 120.883 121.223 0.001 0.000 2.275 97 L HA 0.938 5.278 4.340 -0.000 0.000 0.288 97 L C 0.164 177.111 176.870 0.128 0.000 1.046 97 L CA -0.550 54.330 54.840 0.067 0.000 0.805 97 L CB 1.830 43.934 42.059 0.075 0.000 1.193 97 L HN 0.279 nan 8.230 nan 0.000 0.426 98 M N 3.272 122.993 119.600 0.202 0.000 2.355 98 M HA 0.266 4.746 4.480 -0.000 0.000 0.232 98 M C -0.381 176.082 176.300 0.273 0.000 0.988 98 M CA -0.409 55.088 55.300 0.330 0.000 0.931 98 M CB 1.347 34.175 32.600 0.380 0.000 2.294 98 M HN 0.558 nan 8.290 nan 0.000 0.459 99 S N 2.165 118.007 115.700 0.238 0.000 2.563 99 S HA 0.148 4.618 4.470 -0.000 0.000 0.269 99 S C 0.847 175.489 174.600 0.070 0.000 1.364 99 S CA 0.661 58.875 58.200 0.023 0.000 1.010 99 S CB 0.416 63.385 63.200 -0.385 0.000 0.877 99 S HN 0.783 nan 8.310 nan 0.000 0.549 100 T N 2.937 117.528 114.554 0.062 0.000 2.746 100 T HA 0.007 4.357 4.350 -0.000 0.000 0.267 100 T C -0.973 173.797 174.700 0.117 0.000 1.039 100 T CA 1.746 63.902 62.100 0.094 0.000 1.142 100 T CB -1.316 67.603 68.868 0.085 0.000 0.866 100 T HN 0.611 nan 8.240 nan 0.000 0.444 101 P HA 0.172 nan 4.420 nan 0.000 0.218 101 P C 1.397 178.828 177.300 0.219 0.000 1.152 101 P CA 0.769 63.961 63.100 0.153 0.000 0.826 101 P CB -0.121 31.694 31.700 0.192 0.000 0.790 102 A N -0.559 122.345 122.820 0.139 0.000 1.969 102 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 102 A C 2.270 180.031 177.584 0.297 0.000 1.169 102 A CA 1.841 54.059 52.037 0.301 0.000 0.635 102 A CB -1.465 17.672 19.000 0.229 0.000 0.810 102 A HN 0.091 nan 8.150 nan 0.000 0.445 103 S N -0.455 115.409 115.700 0.274 0.000 2.383 103 S HA -0.119 4.351 4.470 -0.000 0.000 0.227 103 S C 2.282 176.996 174.600 0.190 0.000 1.026 103 S CA 1.335 59.746 58.200 0.351 0.000 0.981 103 S CB -0.282 63.188 63.200 0.450 0.000 0.818 103 S HN 0.682 nan 8.310 nan 0.000 0.472 104 S N 0.787 116.584 115.700 0.162 0.000 2.368 104 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 104 S C 1.884 176.538 174.600 0.089 0.000 1.029 104 S CA 1.570 59.825 58.200 0.093 0.000 0.988 104 S CB -0.426 62.820 63.200 0.075 0.000 0.838 104 S HN 0.693 nan 8.310 nan 0.000 0.462 105 H N -0.344 118.760 119.070 0.058 0.000 2.321 105 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 105 H C 1.850 177.168 175.328 -0.017 0.000 1.087 105 H CA 2.280 58.355 56.048 0.044 0.000 1.319 105 H CB -0.963 28.886 29.762 0.145 0.000 1.379 105 H HN 0.576 nan 8.280 nan 0.000 0.501 106 Y N 0.508 120.638 120.300 -0.284 0.000 2.151 106 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 106 Y C 2.388 178.014 175.900 -0.456 0.000 1.166 106 Y CA 2.033 59.831 58.100 -0.504 0.000 1.163 106 Y CB -0.447 37.514 38.460 -0.831 0.000 0.974 106 Y HN 0.266 nan 8.280 nan 0.000 0.511 107 I N -0.168 120.249 120.570 -0.256 0.000 2.163 107 I HA -0.371 3.799 4.170 -0.000 0.000 0.243 107 I C 2.420 178.389 176.117 -0.247 0.000 1.085 107 I CA 1.745 62.927 61.300 -0.196 0.000 1.347 107 I CB -0.411 37.544 38.000 -0.076 0.000 1.044 107 I HN 0.182 nan 8.210 nan 0.000 0.408 108 R N 0.468 120.834 120.500 -0.223 0.000 2.092 108 R HA -0.148 4.192 4.340 -0.000 0.000 0.231 108 R C 2.358 178.498 176.300 -0.267 0.000 1.119 108 R CA 1.002 56.989 56.100 -0.189 0.000 0.970 108 R CB -0.285 29.958 30.300 -0.095 0.000 0.864 108 R HN 0.294 nan 8.270 nan 0.000 0.440 109 K N 0.856 120.984 120.400 -0.452 0.000 2.002 109 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 109 K C 1.977 178.343 176.600 -0.390 0.000 1.048 109 K CA 1.565 57.570 56.287 -0.470 0.000 0.930 109 K CB -0.025 32.067 32.500 -0.681 0.000 0.714 109 K HN 0.015 nan 8.250 nan 0.000 0.438 110 V N 2.211 121.820 119.914 -0.508 0.000 2.343 110 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 110 V C 1.828 177.786 176.094 -0.227 0.000 1.051 110 V CA 1.777 63.848 62.300 -0.381 0.000 1.036 110 V CB -0.558 31.005 31.823 -0.434 0.000 0.654 110 V HN 0.378 nan 8.190 nan 0.000 0.451 111 N N -0.340 118.237 118.700 -0.205 0.000 2.512 111 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 111 N C 1.723 177.167 175.510 -0.110 0.000 1.073 111 N CA 0.732 53.702 53.050 -0.133 0.000 0.911 111 N CB 0.095 38.513 38.487 -0.115 0.000 0.964 111 N HN 0.626 nan 8.380 nan 0.000 0.447 112 E N 0.284 120.409 120.200 -0.125 0.000 2.166 112 E HA 0.019 4.369 4.350 -0.000 0.000 0.192 112 E C 1.129 177.680 176.600 -0.081 0.000 0.967 112 E CA 0.405 56.751 56.400 -0.091 0.000 0.840 112 E CB 0.297 29.945 29.700 -0.087 0.000 0.795 112 E HN 0.425 nan 8.360 nan 0.000 0.470 113 E N 0.064 120.204 120.200 -0.100 0.000 2.140 113 E HA 0.026 4.376 4.350 -0.000 0.000 0.191 113 E C 0.027 176.587 176.600 -0.065 0.000 0.973 113 E CA 0.522 56.875 56.400 -0.079 0.000 0.829 113 E CB 1.003 30.649 29.700 -0.090 0.000 0.781 113 E HN -0.078 nan 8.360 nan 0.000 0.466 114 V N 1.257 121.124 119.914 -0.078 0.000 2.629 114 V HA 0.204 4.324 4.120 -0.000 0.000 0.263 114 V C 0.454 176.507 176.094 -0.068 0.000 0.959 114 V CA -0.500 61.765 62.300 -0.059 0.000 0.869 114 V CB 1.229 33.023 31.823 -0.049 0.000 1.060 114 V HN 0.279 nan 8.190 nan 0.000 0.474 115 G N 2.983 111.748 108.800 -0.058 0.000 3.254 115 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.203 115 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.203 115 G C 0.789 175.661 174.900 -0.047 0.000 1.228 115 G CA 0.640 45.705 45.100 -0.057 0.000 1.202 115 G HN 0.796 nan 8.290 nan 0.000 0.504 116 N N -0.565 118.105 118.700 -0.050 0.000 2.279 116 N HA 0.022 4.762 4.740 -0.000 0.000 0.226 116 N C -0.059 175.428 175.510 -0.038 0.000 1.126 116 N CA -0.770 52.259 53.050 -0.034 0.000 0.846 116 N CB -0.396 38.077 38.487 -0.022 0.000 1.050 116 N HN 0.050 nan 8.380 nan 0.000 0.502 117 C N 1.787 121.054 119.300 -0.055 0.000 2.285 117 C HA 0.439 4.898 4.460 -0.000 0.000 0.335 117 C C 1.869 176.861 174.990 0.002 0.000 1.267 117 C CA -1.137 57.856 59.018 -0.040 0.000 1.762 117 C CB -1.185 26.508 27.740 -0.079 0.000 2.365 117 C HN 0.544 nan 8.230 nan 0.000 0.527 118 I N 4.620 125.224 120.570 0.057 0.000 3.605 118 I HA 0.427 4.597 4.170 -0.000 0.000 0.301 118 I C 0.932 177.152 176.117 0.171 0.000 1.267 118 I CA 0.782 62.151 61.300 0.114 0.000 1.236 118 I CB -1.075 37.017 38.000 0.152 0.000 1.010 118 I HN 0.943 nan 8.210 nan 0.000 0.491 119 G N 0.317 109.159 108.800 0.070 0.000 2.422 119 G HA2 0.256 4.216 3.960 -0.000 0.000 0.607 119 G HA3 0.256 4.216 3.960 -0.000 0.000 0.607 119 G C -0.564 174.368 174.900 0.053 0.000 1.270 119 G CA -0.560 44.488 45.100 -0.086 0.000 0.992 119 G HN 0.771 nan 8.290 nan 0.000 0.499 120 G N -1.151 107.578 108.800 -0.118 0.000 2.682 120 G HA2 0.695 4.655 3.960 -0.000 0.000 0.300 120 G HA3 0.695 4.655 3.960 -0.000 0.000 0.300 120 G C -0.739 174.238 174.900 0.128 0.000 1.391 120 G CA -0.704 44.492 45.100 0.159 0.000 0.990 120 G HN 0.860 nan 8.290 nan 0.000 0.501 121 I N 1.972 122.686 120.570 0.239 0.000 2.325 121 I HA 0.315 4.484 4.170 -0.000 0.000 0.291 121 I C -0.117 176.026 176.117 0.043 0.000 1.019 121 I CA -0.384 61.046 61.300 0.217 0.000 1.302 121 I CB 1.289 39.364 38.000 0.125 0.000 1.401 121 I HN 0.166 nan 8.210 nan 0.000 0.485 122 I N 7.450 128.047 120.570 0.044 0.000 2.339 122 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 122 I C -0.333 175.755 176.117 -0.050 0.000 0.994 122 I CA -0.583 60.713 61.300 -0.007 0.000 1.191 122 I CB 1.300 39.312 38.000 0.019 0.000 1.343 122 I HN 0.354 nan 8.210 nan 0.000 0.458 123 L N 6.637 127.803 121.223 -0.095 0.000 2.315 123 L HA 0.426 4.766 4.340 -0.000 0.000 0.278 123 L C 0.055 176.815 176.870 -0.184 0.000 1.088 123 L CA 0.136 54.862 54.840 -0.190 0.000 0.899 123 L CB 0.523 42.497 42.059 -0.142 0.000 1.277 123 L HN 0.605 nan 8.230 nan 0.000 0.431 124 T N 1.100 115.526 114.554 -0.214 0.000 2.840 124 T HA 0.584 4.934 4.350 -0.000 0.000 0.317 124 T C -0.388 174.217 174.700 -0.159 0.000 1.401 124 T CA 0.059 62.085 62.100 -0.124 0.000 1.028 124 T CB 1.810 70.653 68.868 -0.041 0.000 1.317 124 T HN 0.392 nan 8.240 nan 0.000 0.495 125 A N 1.928 124.695 122.820 -0.087 0.000 2.594 125 A HA 0.703 5.023 4.320 -0.000 0.000 0.287 125 A C 0.954 178.461 177.584 -0.128 0.000 1.227 125 A CA 0.788 52.771 52.037 -0.089 0.000 0.952 125 A CB -0.734 18.261 19.000 -0.008 0.000 1.161 125 A HN 1.347 nan 8.150 nan 0.000 0.524 126 S N -0.348 115.257 115.700 -0.157 0.000 3.973 126 S HA -0.285 4.185 4.470 -0.000 0.000 0.627 126 S C 0.886 175.357 174.600 -0.215 0.000 2.126 126 S CA 1.646 59.694 58.200 -0.255 0.000 4.069 126 S CB -1.074 61.847 63.200 -0.466 0.000 0.220 126 S HN 1.315 nan 8.310 nan 0.000 0.739 127 H N 2.199 121.217 119.070 -0.086 0.000 2.551 127 H HA 0.415 4.971 4.556 -0.000 0.000 0.266 127 H C 0.242 175.463 175.328 -0.179 0.000 0.964 127 H CA 0.379 56.341 56.048 -0.142 0.000 1.180 127 H CB -0.829 28.902 29.762 -0.051 0.000 1.408 127 H HN 0.300 nan 8.280 nan 0.000 0.563 128 N N 3.340 122.120 118.700 0.134 0.000 2.411 128 N HA 0.050 4.790 4.740 -0.000 0.000 0.261 128 N C -2.406 173.100 175.510 -0.006 0.000 1.248 128 N CA -1.082 52.029 53.050 0.103 0.000 0.885 128 N CB 0.266 38.803 38.487 0.084 0.000 1.062 128 N HN 0.276 nan 8.380 nan 0.000 0.471 129 P HA 0.128 nan 4.420 nan 0.000 0.270 129 P C 0.230 177.701 177.300 0.284 0.000 1.227 129 P CA -0.003 63.120 63.100 0.039 0.000 0.788 129 P CB 0.585 32.176 31.700 -0.182 0.000 0.926 130 G N -1.358 107.744 108.800 0.504 0.000 2.818 130 G HA2 0.732 4.692 3.960 -0.000 0.000 0.286 130 G HA3 0.732 4.692 3.960 -0.000 0.000 0.286 130 G C -0.857 174.130 174.900 0.146 0.000 1.364 130 G CA -0.648 44.647 45.100 0.325 0.000 0.938 130 G HN 0.773 nan 8.290 nan 0.000 0.490 131 G N -1.098 107.781 108.800 0.132 0.000 2.435 131 G HA2 0.139 4.099 3.960 -0.000 0.000 0.603 131 G HA3 0.139 4.099 3.960 -0.000 0.000 0.603 131 G C 0.349 175.170 174.900 -0.132 0.000 1.496 131 G CA 0.300 45.400 45.100 -0.000 0.000 0.896 131 G HN 0.818 nan 8.290 nan 0.000 0.657 132 K N 0.185 120.209 120.400 -0.626 0.000 2.152 132 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 132 K C 2.412 178.781 176.600 -0.386 0.000 1.048 132 K CA 2.286 58.095 56.287 -0.797 0.000 0.933 132 K CB -0.020 31.692 32.500 -1.313 0.000 0.721 132 K HN 0.637 nan 8.250 nan 0.000 0.447 133 E N 0.531 120.523 120.200 -0.346 0.000 1.997 133 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 133 E C 0.232 176.523 176.600 -0.515 0.000 0.990 133 E CA 1.537 57.658 56.400 -0.466 0.000 0.845 133 E CB -0.626 28.805 29.700 -0.449 0.000 0.795 133 E HN 0.530 nan 8.360 nan 0.000 0.479 134 H N 0.113 119.144 119.070 -0.065 0.000 2.386 134 H HA 0.718 5.274 4.556 -0.000 0.000 0.232 134 H C 0.091 175.409 175.328 -0.016 0.000 1.416 134 H CA -0.038 55.989 56.048 -0.036 0.000 1.285 134 H CB 0.747 30.490 29.762 -0.032 0.000 1.625 134 H HN 0.403 nan 8.280 nan 0.000 0.521 135 G N -0.419 108.436 108.800 0.092 0.000 2.816 135 G HA2 0.492 4.452 3.960 -0.000 0.000 0.288 135 G HA3 0.492 4.452 3.960 -0.000 0.000 0.288 135 G C -1.067 173.915 174.900 0.138 0.000 1.334 135 G CA -0.661 44.513 45.100 0.123 0.000 0.978 135 G HN 0.195 nan 8.290 nan 0.000 0.493 136 D N -1.358 119.151 120.400 0.182 0.000 2.467 136 D HA 0.692 5.332 4.640 -0.000 0.000 0.245 136 D C -1.446 175.030 176.300 0.292 0.000 1.038 136 D CA -0.162 53.952 54.000 0.190 0.000 1.038 136 D CB 2.375 43.255 40.800 0.132 0.000 1.278 136 D HN 0.168 nan 8.370 nan 0.000 0.564 137 F N -0.375 119.644 119.950 0.114 0.000 2.576 137 F HA 0.658 5.185 4.527 -0.000 0.000 0.313 137 F C -0.442 175.415 175.800 0.096 0.000 1.078 137 F CA -0.373 57.713 58.000 0.143 0.000 0.921 137 F CB 2.232 41.349 39.000 0.196 0.000 1.232 137 F HN 0.282 nan 8.300 nan 0.000 0.459 138 G N 4.566 112.903 108.800 -0.772 0.000 2.701 138 G HA2 0.634 4.593 3.960 -0.000 0.000 0.300 138 G HA3 0.634 4.593 3.960 -0.000 0.000 0.300 138 G C -2.306 172.280 174.900 -0.523 0.000 1.410 138 G CA -0.711 44.126 45.100 -0.437 0.000 1.014 138 G HN 0.523 nan 8.290 nan 0.000 0.509 139 I N 1.084 121.568 120.570 -0.143 0.000 2.439 139 I HA 0.533 4.702 4.170 -0.000 0.000 0.285 139 I C -0.081 176.171 176.117 0.225 0.000 1.021 139 I CA -0.876 60.476 61.300 0.086 0.000 1.091 139 I CB 2.087 40.332 38.000 0.407 0.000 1.242 139 I HN 0.626 nan 8.210 nan 0.000 0.439 140 K N 4.964 125.451 120.400 0.145 0.000 2.435 140 K HA 0.708 5.028 4.320 -0.000 0.000 0.251 140 K C -1.906 174.818 176.600 0.207 0.000 0.954 140 K CA -0.668 55.721 56.287 0.171 0.000 0.820 140 K CB 2.573 35.108 32.500 0.059 0.000 1.292 140 K HN 0.359 nan 8.250 nan 0.000 0.436 141 F N 1.847 121.813 119.950 0.027 0.000 2.507 141 F HA 0.450 4.977 4.527 -0.000 0.000 0.325 141 F C -1.042 174.720 175.800 -0.063 0.000 1.116 141 F CA -0.776 57.214 58.000 -0.017 0.000 0.930 141 F CB 1.721 40.719 39.000 -0.003 0.000 1.146 141 F HN 0.640 nan 8.300 nan 0.000 0.447 142 N N 4.535 122.764 118.700 -0.785 0.000 2.417 142 N HA 0.582 5.322 4.740 -0.000 0.000 0.300 142 N C -0.734 174.132 175.510 -1.073 0.000 1.102 142 N CA -0.851 51.803 53.050 -0.659 0.000 0.886 142 N CB 2.494 40.794 38.487 -0.311 0.000 1.203 142 N HN 0.433 nan 8.380 nan 0.000 0.496 143 V N 0.380 119.886 119.914 -0.680 0.000 3.556 143 V HA 0.296 4.416 4.120 -0.000 0.000 0.292 143 V C 1.476 177.390 176.094 -0.300 0.000 1.030 143 V CA -0.516 61.465 62.300 -0.530 0.000 1.009 143 V CB 0.519 32.118 31.823 -0.373 0.000 1.242 143 V HN 0.665 nan 8.190 nan 0.000 0.431 144 R N 0.198 120.590 120.500 -0.180 0.000 2.211 144 R HA -0.103 4.237 4.340 -0.000 0.000 0.240 144 R C 1.988 178.220 176.300 -0.112 0.000 1.144 144 R CA 1.694 57.726 56.100 -0.114 0.000 0.992 144 R CB -0.826 29.433 30.300 -0.068 0.000 0.869 144 R HN 0.995 nan 8.270 nan 0.000 0.462 145 T N -3.478 111.004 114.554 -0.120 0.000 3.129 145 T HA 0.199 4.549 4.350 -0.000 0.000 0.251 145 T C 1.426 176.068 174.700 -0.096 0.000 1.117 145 T CA 0.361 62.403 62.100 -0.097 0.000 1.034 145 T CB 0.654 69.471 68.868 -0.086 0.000 0.968 145 T HN 0.388 nan 8.240 nan 0.000 0.526 146 G N 1.062 109.790 108.800 -0.120 0.000 2.162 146 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.260 146 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.260 146 G C 0.231 175.082 174.900 -0.082 0.000 0.976 146 G CA -0.080 44.965 45.100 -0.092 0.000 0.655 146 G HN 1.156 nan 8.290 nan 0.000 0.533 147 A N 0.105 122.860 122.820 -0.108 0.000 2.282 147 A HA 0.849 5.169 4.320 -0.000 0.000 0.319 147 A C -2.060 175.450 177.584 -0.124 0.000 1.121 147 A CA -1.500 50.490 52.037 -0.078 0.000 0.836 147 A CB 0.960 19.921 19.000 -0.066 0.000 1.146 147 A HN 0.103 nan 8.150 nan 0.000 0.494 148 P HA 0.219 nan 4.420 nan 0.000 0.266 148 P C -0.070 177.155 177.300 -0.125 0.000 1.195 148 P CA 0.406 63.452 63.100 -0.090 0.000 0.768 148 P CB 0.519 32.199 31.700 -0.032 0.000 0.838 149 A N 5.453 128.181 122.820 -0.154 0.000 2.507 149 A HA 0.291 4.611 4.320 -0.000 0.000 0.235 149 A C -1.971 175.599 177.584 -0.024 0.000 1.070 149 A CA -0.558 51.373 52.037 -0.177 0.000 0.768 149 A CB -1.368 17.541 19.000 -0.152 0.000 1.011 149 A HN 0.413 nan 8.150 nan 0.000 0.502 150 P HA 0.247 nan 4.420 nan 0.000 0.276 150 P C 0.670 178.043 177.300 0.123 0.000 1.244 150 P CA -0.384 62.740 63.100 0.040 0.000 0.801 150 P CB 0.672 32.391 31.700 0.032 0.000 1.006 151 E N 1.869 122.105 120.200 0.060 0.000 2.068 151 E HA -0.312 4.038 4.350 -0.000 0.000 0.207 151 E C 1.380 178.045 176.600 0.107 0.000 1.032 151 E CA 2.439 58.882 56.400 0.071 0.000 0.839 151 E CB -0.770 28.945 29.700 0.026 0.000 0.758 151 E HN 0.583 nan 8.360 nan 0.000 0.457 152 D N -0.314 120.146 120.400 0.099 0.000 2.123 152 D HA -0.240 4.400 4.640 -0.000 0.000 0.196 152 D C 2.156 178.529 176.300 0.121 0.000 0.992 152 D CA 1.275 55.331 54.000 0.093 0.000 0.833 152 D CB -0.945 39.902 40.800 0.078 0.000 0.954 152 D HN 0.400 nan 8.370 nan 0.000 0.455 153 F N 2.572 122.554 119.950 0.053 0.000 2.075 153 F HA -0.216 4.311 4.527 -0.000 0.000 0.297 153 F C 2.670 178.521 175.800 0.086 0.000 1.113 153 F CA 2.958 61.004 58.000 0.076 0.000 1.218 153 F CB -0.625 38.433 39.000 0.096 0.000 0.984 153 F HN 0.095 nan 8.300 nan 0.000 0.472 154 T N -2.584 112.162 114.554 0.320 0.000 2.833 154 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 154 T C 1.556 176.334 174.700 0.130 0.000 1.054 154 T CA 1.431 63.670 62.100 0.232 0.000 1.135 154 T CB -0.613 68.395 68.868 0.233 0.000 0.869 154 T HN 0.210 nan 8.240 nan 0.000 0.466 155 D N 1.080 121.542 120.400 0.103 0.000 2.144 155 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 155 D C 2.500 178.837 176.300 0.062 0.000 0.978 155 D CA 0.792 54.858 54.000 0.112 0.000 0.833 155 D CB -0.239 40.610 40.800 0.082 0.000 0.961 155 D HN 0.318 nan 8.370 nan 0.000 0.470 156 Q N 0.333 120.107 119.800 -0.043 0.000 2.084 156 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 156 Q C 2.576 178.541 176.000 -0.059 0.000 0.978 156 Q CA 0.563 56.293 55.803 -0.122 0.000 0.844 156 Q CB -0.337 28.281 28.738 -0.201 0.000 0.898 156 Q HN 0.430 nan 8.270 nan 0.000 0.426 157 I N -0.100 120.417 120.570 -0.088 0.000 2.099 157 I HA -0.343 3.827 4.170 -0.000 0.000 0.239 157 I C 2.320 178.497 176.117 0.100 0.000 1.066 157 I CA 1.636 62.909 61.300 -0.045 0.000 1.324 157 I CB -0.577 37.374 38.000 -0.081 0.000 1.037 157 I HN 0.130 nan 8.210 nan 0.000 0.401 158 Y N 2.033 122.363 120.300 0.051 0.000 2.040 158 Y HA -0.363 4.187 4.550 -0.000 0.000 0.275 158 Y C 2.758 178.685 175.900 0.045 0.000 1.171 158 Y CA 2.304 60.454 58.100 0.084 0.000 1.123 158 Y CB -1.118 37.385 38.460 0.072 0.000 0.963 158 Y HN 0.137 nan 8.280 nan 0.000 0.493 159 T N 0.327 114.764 114.554 -0.194 0.000 2.570 159 T HA -0.287 4.063 4.350 -0.000 0.000 0.266 159 T C 1.666 176.211 174.700 -0.258 0.000 1.071 159 T CA 1.953 63.862 62.100 -0.317 0.000 1.172 159 T CB -0.736 67.976 68.868 -0.259 0.000 0.864 159 T HN 0.512 nan 8.240 nan 0.000 0.421 160 H N 1.127 120.112 119.070 -0.142 0.000 2.362 160 H HA -0.136 4.420 4.556 -0.000 0.000 0.294 160 H C 2.770 178.043 175.328 -0.092 0.000 1.113 160 H CA 2.166 58.148 56.048 -0.111 0.000 1.253 160 H CB -0.981 28.710 29.762 -0.119 0.000 1.363 160 H HN 0.581 nan 8.280 nan 0.000 0.494 161 T N -1.292 113.288 114.554 0.043 0.000 2.849 161 T HA -0.130 4.220 4.350 -0.000 0.000 0.270 161 T C 1.901 176.605 174.700 0.008 0.000 1.066 161 T CA 1.808 63.937 62.100 0.049 0.000 1.130 161 T CB -0.604 68.342 68.868 0.129 0.000 0.864 161 T HN 0.483 nan 8.240 nan 0.000 0.481 162 T N -2.325 112.161 114.554 -0.113 0.000 3.105 162 T HA 0.371 4.721 4.350 -0.000 0.000 0.253 162 T C 1.099 175.758 174.700 -0.068 0.000 1.047 162 T CA -0.290 61.749 62.100 -0.101 0.000 0.944 162 T CB 0.036 68.771 68.868 -0.222 0.000 1.016 162 T HN 0.478 nan 8.240 nan 0.000 0.544 163 K N 0.473 120.846 120.400 -0.045 0.000 2.501 163 K HA 0.415 4.735 4.320 -0.000 0.000 0.204 163 K C -0.114 176.502 176.600 0.026 0.000 1.067 163 K CA -0.430 55.843 56.287 -0.023 0.000 1.060 163 K CB 0.540 33.005 32.500 -0.058 0.000 0.873 163 K HN 0.434 nan 8.250 nan 0.000 0.540 164 I N 1.886 122.485 120.570 0.048 0.000 2.441 164 I HA 0.072 4.242 4.170 -0.000 0.000 0.287 164 I C -0.060 176.097 176.117 0.066 0.000 1.049 164 I CA 0.097 61.441 61.300 0.073 0.000 1.381 164 I CB 0.630 38.687 38.000 0.095 0.000 1.409 164 I HN 0.108 nan 8.210 nan 0.000 0.523 165 K N 6.783 127.219 120.400 0.060 0.000 2.469 165 K HA 0.250 4.570 4.320 -0.000 0.000 0.204 165 K C -1.073 175.552 176.600 0.043 0.000 1.047 165 K CA -0.170 56.143 56.287 0.043 0.000 1.072 165 K CB 0.450 32.963 32.500 0.022 0.000 0.863 165 K HN 0.738 nan 8.250 nan 0.000 0.530 166 E N 0.049 120.296 120.200 0.077 0.000 2.352 166 E HA 0.101 4.451 4.350 -0.000 0.000 0.278 166 E C -1.608 175.073 176.600 0.135 0.000 1.197 166 E CA -1.207 55.220 56.400 0.045 0.000 0.931 166 E CB 0.211 29.900 29.700 -0.019 0.000 1.237 166 E HN 0.044 nan 8.360 nan 0.000 0.417 167 Y N -0.222 120.095 120.300 0.027 0.000 2.479 167 Y HA 0.581 5.131 4.550 -0.000 0.000 0.338 167 Y C -1.422 174.499 175.900 0.034 0.000 1.055 167 Y CA -1.520 56.597 58.100 0.029 0.000 1.023 167 Y CB 1.074 39.557 38.460 0.038 0.000 1.287 167 Y HN 0.571 nan 8.280 nan 0.000 0.447 168 L N 4.814 126.151 121.223 0.190 0.000 2.410 168 L HA 0.565 4.905 4.340 -0.000 0.000 0.273 168 L C -0.060 176.936 176.870 0.209 0.000 1.152 168 L CA 0.358 55.264 54.840 0.110 0.000 0.855 168 L CB 0.655 42.748 42.059 0.057 0.000 1.129 168 L HN 0.999 nan 8.230 nan 0.000 0.463 169 T N 1.254 115.888 114.554 0.134 0.000 2.626 169 T HA 0.701 5.051 4.350 -0.000 0.000 0.299 169 T C -0.623 174.169 174.700 0.153 0.000 1.181 169 T CA -0.525 61.690 62.100 0.192 0.000 1.053 169 T CB 2.083 71.093 68.868 0.236 0.000 1.566 169 T HN 0.506 nan 8.240 nan 0.000 0.486 170 V N -1.867 118.147 119.914 0.167 0.000 3.204 170 V HA 0.676 4.796 4.120 -0.000 0.000 0.298 170 V C -2.119 174.052 176.094 0.129 0.000 1.328 170 V CA -1.138 61.245 62.300 0.138 0.000 1.035 170 V CB 2.387 34.286 31.823 0.126 0.000 1.095 170 V HN 0.812 nan 8.190 nan 0.000 0.442 171 D N 2.385 122.840 120.400 0.093 0.000 2.467 171 D HA 0.611 5.251 4.640 -0.000 0.000 0.220 171 D C -1.157 175.214 176.300 0.118 0.000 1.103 171 D CA 0.529 54.581 54.000 0.088 0.000 0.886 171 D CB 1.211 42.044 40.800 0.056 0.000 1.025 171 D HN 0.717 nan 8.370 nan 0.000 0.514 172 Y N 0.318 120.569 120.300 -0.083 0.000 2.677 172 Y HA 0.171 4.721 4.550 -0.000 0.000 0.334 172 Y C -1.446 174.346 175.900 -0.180 0.000 1.196 172 Y CA -0.826 57.135 58.100 -0.232 0.000 1.059 172 Y CB 1.688 39.832 38.460 -0.527 0.000 1.315 172 Y HN -0.085 nan 8.280 nan 0.000 0.455 173 E N 4.276 123.990 120.200 -0.811 0.000 2.346 173 E HA 0.212 4.562 4.350 -0.000 0.000 0.239 173 E C -0.379 176.028 176.600 -0.322 0.000 0.943 173 E CA -0.100 56.066 56.400 -0.392 0.000 0.751 173 E CB 0.302 29.848 29.700 -0.257 0.000 1.241 173 E HN 0.667 nan 8.360 nan 0.000 0.423 174 F N 1.740 121.702 119.950 0.019 0.000 2.206 174 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 174 F C 2.304 178.217 175.800 0.188 0.000 1.090 174 F CA 0.789 58.940 58.000 0.251 0.000 1.323 174 F CB 0.025 39.236 39.000 0.353 0.000 1.028 174 F HN 0.321 nan 8.300 nan 0.000 0.492 175 E N 1.317 121.430 120.200 -0.146 0.000 2.171 175 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 175 E C 1.675 178.236 176.600 -0.065 0.000 0.997 175 E CA 1.332 57.447 56.400 -0.475 0.000 0.810 175 E CB -0.811 28.370 29.700 -0.866 0.000 0.738 175 E HN 0.471 nan 8.360 nan 0.000 0.467 176 K N -0.069 120.325 120.400 -0.010 0.000 2.148 176 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 176 K C 1.702 178.257 176.600 -0.075 0.000 1.050 176 K CA 1.461 57.705 56.287 -0.072 0.000 0.942 176 K CB -0.140 32.260 32.500 -0.167 0.000 0.724 176 K HN 0.310 nan 8.250 nan 0.000 0.446 177 H N -1.075 118.092 119.070 0.162 0.000 2.654 177 H HA 0.281 4.837 4.556 -0.000 0.000 0.264 177 H C 0.085 175.670 175.328 0.428 0.000 0.954 177 H CA 0.114 56.341 56.048 0.299 0.000 1.199 177 H CB 0.591 30.622 29.762 0.448 0.000 1.446 177 H HN -0.040 nan 8.280 nan 0.000 0.516 178 I N 0.821 121.665 120.570 0.457 0.000 2.509 178 I HA 0.178 4.348 4.170 -0.000 0.000 0.293 178 I C -0.379 175.806 176.117 0.113 0.000 1.020 178 I CA -0.576 60.776 61.300 0.087 0.000 1.088 178 I CB 2.158 40.177 38.000 0.031 0.000 1.267 178 I HN 0.166 nan 8.210 nan 0.000 0.430 179 N N 6.503 125.199 118.700 -0.006 0.000 2.696 179 N HA 0.314 5.054 4.740 -0.000 0.000 0.246 179 N C 0.874 176.412 175.510 0.047 0.000 1.057 179 N CA -0.412 52.705 53.050 0.112 0.000 0.867 179 N CB 0.923 39.515 38.487 0.175 0.000 1.141 179 N HN 0.654 nan 8.380 nan 0.000 0.517 180 L N 1.525 122.766 121.223 0.031 0.000 2.137 180 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 180 L C 1.154 178.031 176.870 0.011 0.000 1.085 180 L CA 1.233 56.052 54.840 -0.036 0.000 0.760 180 L CB -0.268 41.757 42.059 -0.056 0.000 0.893 180 L HN 0.579 nan 8.230 nan 0.000 0.434 181 D N -0.541 119.888 120.400 0.048 0.000 2.371 181 D HA -0.082 4.558 4.640 -0.000 0.000 0.221 181 D C 0.988 177.324 176.300 0.060 0.000 0.986 181 D CA 0.667 54.695 54.000 0.047 0.000 0.899 181 D CB 0.227 41.058 40.800 0.052 0.000 0.902 181 D HN 0.419 nan 8.370 nan 0.000 0.530 182 Q N 0.781 120.639 119.800 0.096 0.000 2.330 182 Q HA 0.352 4.691 4.340 -0.000 0.000 0.269 182 Q C -0.431 175.666 176.000 0.162 0.000 1.022 182 Q CA -0.570 55.304 55.803 0.118 0.000 0.796 182 Q CB 1.799 30.622 28.738 0.143 0.000 1.271 182 Q HN -0.014 nan 8.270 nan 0.000 0.450 183 I N 2.204 122.836 120.570 0.103 0.000 3.060 183 I HA 0.451 4.621 4.170 -0.000 0.000 0.285 183 I C 0.901 177.081 176.117 0.105 0.000 1.190 183 I CA 0.959 62.318 61.300 0.099 0.000 1.363 183 I CB 0.757 38.782 38.000 0.042 0.000 1.396 183 I HN 0.913 nan 8.210 nan 0.000 0.607 184 G N 2.923 111.776 108.800 0.088 0.000 2.357 184 G HA2 0.161 4.121 3.960 -0.000 0.000 0.289 184 G HA3 0.161 4.121 3.960 -0.000 0.000 0.289 184 G C -1.761 173.132 174.900 -0.011 0.000 1.302 184 G CA -0.899 44.189 45.100 -0.020 0.000 0.936 184 G HN 0.444 nan 8.290 nan 0.000 0.513 185 V N 0.772 120.592 119.914 -0.157 0.000 2.407 185 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 185 V C -1.148 174.840 176.094 -0.176 0.000 1.018 185 V CA -0.669 61.589 62.300 -0.071 0.000 0.842 185 V CB 1.115 32.903 31.823 -0.059 0.000 0.996 185 V HN 0.590 nan 8.190 nan 0.000 0.426 186 Y N 3.711 124.056 120.300 0.076 0.000 2.594 186 Y HA 0.519 5.069 4.550 -0.000 0.000 0.342 186 Y C 0.499 176.539 175.900 0.234 0.000 1.010 186 Y CA -0.981 57.221 58.100 0.171 0.000 1.270 186 Y CB 0.552 39.234 38.460 0.370 0.000 1.125 186 Y HN 0.480 nan 8.280 nan 0.000 0.513 187 K N 2.758 123.241 120.400 0.138 0.000 2.174 187 K HA 0.593 4.913 4.320 -0.000 0.000 0.275 187 K C -1.100 175.568 176.600 0.115 0.000 1.015 187 K CA -0.176 56.210 56.287 0.164 0.000 0.933 187 K CB 0.860 33.364 32.500 0.008 0.000 1.025 187 K HN 0.286 nan 8.250 nan 0.000 0.463 188 F N 0.107 120.168 119.950 0.187 0.000 2.664 188 F HA 0.391 4.918 4.527 -0.000 0.000 0.329 188 F C -0.083 175.873 175.800 0.259 0.000 1.090 188 F CA -0.902 57.225 58.000 0.211 0.000 0.978 188 F CB 1.690 40.845 39.000 0.257 0.000 1.378 188 F HN 0.247 nan 8.300 nan 0.000 0.495 189 E N 0.679 121.099 120.200 0.367 0.000 2.165 189 E HA 0.530 4.880 4.350 -0.000 0.000 0.266 189 E C -0.217 176.489 176.600 0.178 0.000 0.889 189 E CA -0.346 56.217 56.400 0.271 0.000 0.756 189 E CB 1.854 31.656 29.700 0.170 0.000 1.131 189 E HN 0.782 nan 8.360 nan 0.000 0.411 190 G N 0.536 109.457 108.800 0.203 0.000 2.932 190 G HA2 0.468 4.428 3.960 -0.000 0.000 0.283 190 G HA3 0.468 4.428 3.960 -0.000 0.000 0.283 190 G C -0.588 174.397 174.900 0.141 0.000 1.336 190 G CA -0.427 44.803 45.100 0.218 0.000 1.056 190 G HN 0.279 nan 8.290 nan 0.000 0.522 191 T N 1.133 115.800 114.554 0.188 0.000 3.390 191 T HA 0.434 4.784 4.350 -0.000 0.000 0.351 191 T C 0.111 174.833 174.700 0.036 0.000 1.759 191 T CA -0.277 61.872 62.100 0.082 0.000 1.561 191 T CB -0.058 68.849 68.868 0.064 0.000 1.011 191 T HN 0.366 nan 8.240 nan 0.000 0.689 192 R N 0.892 121.376 120.500 -0.028 0.000 2.854 192 R HA 0.602 4.942 4.340 -0.000 0.000 0.271 192 R C -0.688 175.562 176.300 -0.083 0.000 0.996 192 R CA -1.097 54.932 56.100 -0.117 0.000 0.961 192 R CB 1.893 32.037 30.300 -0.259 0.000 1.182 192 R HN 0.312 nan 8.270 nan 0.000 0.479 193 L N 2.691 123.860 121.223 -0.089 0.000 2.369 193 L HA 0.118 4.458 4.340 -0.000 0.000 0.279 193 L C 0.540 177.372 176.870 -0.064 0.000 1.108 193 L CA 0.483 55.284 54.840 -0.065 0.000 0.852 193 L CB 0.098 42.120 42.059 -0.061 0.000 1.169 193 L HN 0.840 nan 8.230 nan 0.000 0.452 194 E N 0.702 120.873 120.200 -0.048 0.000 4.174 194 E HA -0.206 4.144 4.350 -0.000 0.000 0.374 194 E C -0.237 176.344 176.600 -0.032 0.000 0.582 194 E CA 1.120 57.498 56.400 -0.037 0.000 1.359 194 E CB -0.671 29.007 29.700 -0.036 0.000 1.820 194 E HN 0.627 nan 8.360 nan 0.000 0.388 195 K N 0.790 121.164 120.400 -0.043 0.000 2.575 195 K HA 0.276 4.596 4.320 -0.000 0.000 0.236 195 K C 0.560 177.143 176.600 -0.027 0.000 0.976 195 K CA 0.406 56.683 56.287 -0.018 0.000 0.985 195 K CB 1.423 33.920 32.500 -0.006 0.000 1.198 195 K HN 0.136 nan 8.250 nan 0.000 0.464 196 S N 0.999 116.643 115.700 -0.093 0.000 2.461 196 S HA -0.002 4.468 4.470 -0.000 0.000 0.228 196 S C 0.761 175.256 174.600 -0.175 0.000 1.005 196 S CA 0.447 58.534 58.200 -0.188 0.000 0.942 196 S CB -0.117 62.871 63.200 -0.353 0.000 0.776 196 S HN 0.486 nan 8.310 nan 0.000 0.514 197 H N -0.429 118.739 119.070 0.162 0.000 2.651 197 H HA 0.729 5.285 4.556 -0.000 0.000 0.353 197 H C -1.239 174.302 175.328 0.355 0.000 1.178 197 H CA -0.910 55.276 56.048 0.230 0.000 1.224 197 H CB 1.286 31.148 29.762 0.168 0.000 1.702 197 H HN 0.326 nan 8.280 nan 0.000 0.550 198 F N -0.028 120.149 119.950 0.379 0.000 2.685 198 F HA 0.469 4.996 4.527 -0.000 0.000 0.315 198 F C -1.255 174.752 175.800 0.346 0.000 1.126 198 F CA -0.757 57.439 58.000 0.326 0.000 0.950 198 F CB 2.107 41.337 39.000 0.383 0.000 1.360 198 F HN 0.636 nan 8.300 nan 0.000 0.469 199 E N 1.859 121.570 120.200 -0.815 0.000 2.388 199 E HA 0.593 4.943 4.350 -0.000 0.000 0.282 199 E C -2.333 173.929 176.600 -0.563 0.000 1.026 199 E CA -0.664 55.499 56.400 -0.395 0.000 0.820 199 E CB 2.422 32.084 29.700 -0.064 0.000 1.226 199 E HN 0.498 nan 8.360 nan 0.000 0.432 200 V N 3.354 123.188 119.914 -0.134 0.000 2.577 200 V HA 0.423 4.543 4.120 -0.000 0.000 0.303 200 V C -0.702 175.439 176.094 0.078 0.000 1.042 200 V CA -0.727 61.531 62.300 -0.070 0.000 0.872 200 V CB 1.854 33.646 31.823 -0.053 0.000 0.998 200 V HN 0.568 nan 8.190 nan 0.000 0.423 201 K N 4.263 124.627 120.400 -0.059 0.000 2.527 201 K HA 0.526 4.846 4.320 -0.000 0.000 0.240 201 K C -0.935 175.618 176.600 -0.077 0.000 0.989 201 K CA -0.434 55.787 56.287 -0.110 0.000 0.985 201 K CB 1.756 33.962 32.500 -0.489 0.000 1.221 201 K HN 0.539 nan 8.250 nan 0.000 0.458 202 V N 5.614 125.565 119.914 0.061 0.000 2.479 202 V HA 0.185 4.305 4.120 -0.000 0.000 0.281 202 V C -0.528 175.580 176.094 0.024 0.000 1.031 202 V CA -0.041 62.273 62.300 0.023 0.000 1.038 202 V CB 1.095 32.961 31.823 0.072 0.000 0.981 202 V HN 0.539 nan 8.190 nan 0.000 0.478 203 V N 6.385 126.295 119.914 -0.007 0.000 2.881 203 V HA 0.483 4.603 4.120 -0.000 0.000 0.316 203 V C 0.180 176.279 176.094 0.009 0.000 1.070 203 V CA -0.846 61.456 62.300 0.004 0.000 0.976 203 V CB 1.998 33.808 31.823 -0.022 0.000 1.038 203 V HN 1.034 nan 8.190 nan 0.000 0.446 204 D N 2.483 122.894 120.400 0.019 0.000 2.487 204 D HA -0.052 4.588 4.640 -0.000 0.000 0.243 204 D C 1.063 177.364 176.300 0.001 0.000 1.154 204 D CA 0.981 54.978 54.000 -0.006 0.000 0.876 204 D CB 1.791 42.586 40.800 -0.008 0.000 1.161 204 D HN 0.862 nan 8.370 nan 0.000 0.478 205 T N 1.499 116.024 114.554 -0.049 0.000 2.995 205 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 205 T C 1.554 176.164 174.700 -0.151 0.000 1.091 205 T CA 1.697 63.764 62.100 -0.055 0.000 1.128 205 T CB 0.048 68.851 68.868 -0.108 0.000 0.891 205 T HN 0.368 nan 8.240 nan 0.000 0.492 206 V N -1.624 118.163 119.914 -0.211 0.000 3.556 206 V HA 0.366 4.486 4.120 -0.000 0.000 0.287 206 V C 2.117 178.319 176.094 0.180 0.000 1.422 206 V CA 0.578 62.803 62.300 -0.125 0.000 1.038 206 V CB -0.268 31.405 31.823 -0.250 0.000 0.850 206 V HN 0.328 nan 8.190 nan 0.000 0.437 207 Q N 1.999 121.862 119.800 0.105 0.000 1.927 207 Q HA -0.239 4.101 4.340 -0.000 0.000 0.210 207 Q C 1.933 178.070 176.000 0.228 0.000 1.001 207 Q CA 3.012 58.902 55.803 0.145 0.000 0.862 207 Q CB -0.449 28.345 28.738 0.093 0.000 0.934 207 Q HN 0.669 nan 8.270 nan 0.000 0.420 208 D N -0.923 119.640 120.400 0.272 0.000 2.106 208 D HA -0.208 4.432 4.640 -0.000 0.000 0.191 208 D C 1.823 178.371 176.300 0.413 0.000 0.997 208 D CA 1.550 55.751 54.000 0.335 0.000 0.834 208 D CB -0.601 40.411 40.800 0.354 0.000 0.956 208 D HN 0.379 nan 8.370 nan 0.000 0.448 209 Y N 2.065 122.586 120.300 0.368 0.000 2.114 209 Y HA -0.291 4.259 4.550 -0.000 0.000 0.282 209 Y C 2.465 178.459 175.900 0.158 0.000 1.165 209 Y CA 2.355 60.616 58.100 0.268 0.000 1.148 209 Y CB -0.583 38.109 38.460 0.387 0.000 0.972 209 Y HN -0.083 nan 8.280 nan 0.000 0.504 210 T N 0.554 115.293 114.554 0.308 0.000 2.684 210 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 210 T C 1.727 176.364 174.700 -0.104 0.000 1.036 210 T CA 1.858 64.024 62.100 0.110 0.000 1.148 210 T CB -0.386 68.594 68.868 0.187 0.000 0.863 210 T HN 0.489 nan 8.240 nan 0.000 0.436 211 Q N 0.190 119.973 119.800 -0.029 0.000 2.096 211 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 211 Q C 2.383 178.294 176.000 -0.148 0.000 0.982 211 Q CA 1.162 56.914 55.803 -0.085 0.000 0.850 211 Q CB -0.428 28.318 28.738 0.013 0.000 0.901 211 Q HN 0.325 nan 8.270 nan 0.000 0.422 212 L N 0.318 121.439 121.223 -0.170 0.000 2.017 212 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 212 L C 2.103 178.812 176.870 -0.269 0.000 1.073 212 L CA 1.782 56.451 54.840 -0.284 0.000 0.745 212 L CB -0.472 41.210 42.059 -0.628 0.000 0.894 212 L HN 0.223 nan 8.230 nan 0.000 0.432 213 M N -0.976 118.447 119.600 -0.295 0.000 2.149 213 M HA -0.229 4.251 4.480 -0.000 0.000 0.261 213 M C 2.272 178.524 176.300 -0.081 0.000 1.064 213 M CA 1.553 56.819 55.300 -0.058 0.000 1.102 213 M CB -1.331 31.286 32.600 0.028 0.000 1.369 213 M HN 0.439 nan 8.290 nan 0.000 0.408 214 Q N -0.259 119.272 119.800 -0.448 0.000 2.167 214 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 214 Q C 2.148 177.970 176.000 -0.298 0.000 0.970 214 Q CA 1.344 56.747 55.803 -0.667 0.000 0.855 214 Q CB -0.094 28.239 28.738 -0.674 0.000 0.911 214 Q HN 0.499 nan 8.270 nan 0.000 0.438 215 K N 0.670 120.936 120.400 -0.223 0.000 2.103 215 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 215 K C 1.776 178.266 176.600 -0.184 0.000 1.052 215 K CA 0.776 56.964 56.287 -0.166 0.000 0.945 215 K CB 0.111 32.532 32.500 -0.133 0.000 0.722 215 K HN 0.157 nan 8.250 nan 0.000 0.443 216 L N 0.038 121.111 121.223 -0.251 0.000 2.240 216 L HA 0.099 4.439 4.340 -0.000 0.000 0.211 216 L C 0.383 176.844 176.870 -0.682 0.000 1.106 216 L CA 0.211 54.767 54.840 -0.473 0.000 0.793 216 L CB -0.022 41.659 42.059 -0.631 0.000 0.927 216 L HN 0.004 nan 8.230 nan 0.000 0.446 217 F N -1.250 118.664 119.950 -0.059 0.000 2.575 217 F HA 0.301 4.828 4.527 -0.000 0.000 0.330 217 F C 0.256 176.100 175.800 0.073 0.000 1.056 217 F CA -1.295 56.705 58.000 -0.001 0.000 0.964 217 F CB 0.833 39.872 39.000 0.065 0.000 1.258 217 F HN -0.295 nan 8.300 nan 0.000 0.484 218 D N 1.263 121.821 120.400 0.263 0.000 2.500 218 D HA 0.148 4.788 4.640 -0.000 0.000 0.219 218 D C 0.636 177.050 176.300 0.190 0.000 1.137 218 D CA -0.057 54.035 54.000 0.153 0.000 0.946 218 D CB -0.036 40.791 40.800 0.045 0.000 1.022 218 D HN 0.245 nan 8.370 nan 0.000 0.518 219 F N 1.274 121.177 119.950 -0.079 0.000 2.408 219 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 219 F C 1.845 177.562 175.800 -0.139 0.000 1.090 219 F CA 0.610 58.531 58.000 -0.132 0.000 1.427 219 F CB -0.027 38.889 39.000 -0.140 0.000 1.070 219 F HN 0.322 nan 8.300 nan 0.000 0.549 220 D N -0.571 119.860 120.400 0.052 0.000 2.162 220 D HA -0.097 4.543 4.640 -0.000 0.000 0.203 220 D C 2.331 178.582 176.300 -0.081 0.000 0.967 220 D CA 0.548 54.535 54.000 -0.021 0.000 0.840 220 D CB -0.462 40.327 40.800 -0.018 0.000 0.972 220 D HN 0.144 nan 8.370 nan 0.000 0.482 221 L N 0.412 121.575 121.223 -0.100 0.000 1.989 221 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 221 L C 1.911 178.654 176.870 -0.212 0.000 1.071 221 L CA 1.509 56.243 54.840 -0.177 0.000 0.749 221 L CB -0.703 41.225 42.059 -0.218 0.000 0.890 221 L HN -0.029 nan 8.230 nan 0.000 0.431 222 L N -0.210 120.869 121.223 -0.241 0.000 2.042 222 L HA -0.220 4.119 4.340 -0.000 0.000 0.210 222 L C 2.571 179.298 176.870 -0.239 0.000 1.076 222 L CA 1.696 56.353 54.840 -0.307 0.000 0.749 222 L CB -1.089 40.664 42.059 -0.510 0.000 0.893 222 L HN 0.318 nan 8.230 nan 0.000 0.432 223 K N -0.788 119.470 120.400 -0.238 0.000 2.103 223 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 223 K C 2.042 178.606 176.600 -0.059 0.000 1.048 223 K CA 1.238 57.426 56.287 -0.164 0.000 0.930 223 K CB -0.441 31.988 32.500 -0.119 0.000 0.716 223 K HN 0.431 nan 8.250 nan 0.000 0.444 224 G N 0.976 109.724 108.800 -0.088 0.000 2.422 224 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 224 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 224 G C 1.329 176.178 174.900 -0.084 0.000 1.140 224 G CA 0.439 45.494 45.100 -0.074 0.000 0.775 224 G HN 0.231 nan 8.290 nan 0.000 0.545 225 L N -0.358 120.774 121.223 -0.152 0.000 2.056 225 L HA 0.220 4.560 4.340 -0.000 0.000 0.207 225 L C 2.248 178.971 176.870 -0.244 0.000 1.078 225 L CA 1.405 56.059 54.840 -0.310 0.000 0.749 225 L CB -0.660 41.082 42.059 -0.528 0.000 0.901 225 L HN 0.157 nan 8.230 nan 0.000 0.433 226 F N -0.686 119.101 119.950 -0.271 0.000 2.604 226 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 226 F C 2.114 177.944 175.800 0.050 0.000 1.131 226 F CA 0.748 58.742 58.000 -0.010 0.000 1.457 226 F CB -0.536 38.419 39.000 -0.075 0.000 1.095 226 F HN 0.042 nan 8.300 nan 0.000 0.574 227 S N -0.446 115.339 115.700 0.142 0.000 2.573 227 S HA 0.061 4.531 4.470 -0.000 0.000 0.244 227 S C 0.266 174.913 174.600 0.079 0.000 0.984 227 S CA -0.240 58.017 58.200 0.095 0.000 1.001 227 S CB -0.581 62.649 63.200 0.049 0.000 0.788 227 S HN 0.162 nan 8.310 nan 0.000 0.456 228 N N 2.374 121.142 118.700 0.114 0.000 2.476 228 N HA 0.131 4.871 4.740 -0.000 0.000 0.257 228 N C 0.982 176.598 175.510 0.178 0.000 0.970 228 N CA -0.354 52.781 53.050 0.141 0.000 0.938 228 N CB 0.994 39.584 38.487 0.172 0.000 1.144 228 N HN 0.250 nan 8.380 nan 0.000 0.500 229 K N 2.450 122.921 120.400 0.117 0.000 2.107 229 K HA -0.215 4.105 4.320 -0.000 0.000 0.211 229 K C 0.167 176.804 176.600 0.061 0.000 1.049 229 K CA 1.911 58.245 56.287 0.079 0.000 0.927 229 K CB -0.035 32.499 32.500 0.058 0.000 0.714 229 K HN 0.312 nan 8.250 nan 0.000 0.452 230 D N -0.066 120.398 120.400 0.107 0.000 2.312 230 D HA -0.027 4.613 4.640 -0.000 0.000 0.211 230 D C -0.039 176.119 176.300 -0.236 0.000 0.964 230 D CA 0.530 54.524 54.000 -0.010 0.000 0.877 230 D CB -0.121 40.784 40.800 0.174 0.000 0.924 230 D HN 0.179 nan 8.370 nan 0.000 0.515 231 F N 1.295 121.188 119.950 -0.093 0.000 2.427 231 F HA 0.318 4.845 4.527 -0.000 0.000 0.352 231 F C 0.049 175.748 175.800 -0.169 0.000 1.100 231 F CA -0.696 57.235 58.000 -0.114 0.000 1.191 231 F CB 0.633 39.705 39.000 0.121 0.000 1.128 231 F HN -0.313 nan 8.300 nan 0.000 0.533 232 S N 6.335 121.464 115.700 -0.951 0.000 2.600 232 S HA 0.734 5.204 4.470 -0.000 0.000 0.300 232 S C -1.483 172.525 174.600 -0.986 0.000 1.087 232 S CA -0.639 57.137 58.200 -0.706 0.000 0.965 232 S CB 2.091 65.036 63.200 -0.426 0.000 1.089 232 S HN 0.598 nan 8.310 nan 0.000 0.496 233 F N 0.752 120.277 119.950 -0.708 0.000 2.641 233 F HA 0.724 5.251 4.527 0.000 0.000 0.308 233 F C -1.051 174.631 175.800 -0.197 0.000 1.105 233 F CA -0.566 57.141 58.000 -0.489 0.000 0.964 233 F CB 1.541 40.200 39.000 -0.568 0.000 1.294 233 F HN 0.565 nan 8.300 nan 0.000 0.442 234 R N 4.297 124.328 120.500 -0.782 0.000 2.548 234 R HA 0.560 4.900 4.340 -0.000 0.000 0.280 234 R C -2.435 173.494 176.300 -0.619 0.000 1.061 234 R CA -0.538 55.276 56.100 -0.476 0.000 0.915 234 R CB 1.557 31.660 30.300 -0.329 0.000 1.210 234 R HN 0.593 nan 8.270 nan 0.000 0.442 235 F N 3.397 123.097 119.950 -0.417 0.000 2.539 235 F HA 0.385 4.912 4.527 -0.000 0.000 0.328 235 F C -1.099 174.634 175.800 -0.111 0.000 1.148 235 F CA -0.857 56.973 58.000 -0.284 0.000 0.940 235 F CB 1.535 40.446 39.000 -0.149 0.000 1.194 235 F HN 0.405 nan 8.300 nan 0.000 0.438 236 D N 3.735 123.626 120.400 -0.849 0.000 2.329 236 D HA 0.299 4.939 4.640 -0.000 0.000 0.232 236 D C 0.784 176.677 176.300 -0.678 0.000 1.088 236 D CA -0.082 53.571 54.000 -0.578 0.000 0.835 236 D CB 1.897 42.435 40.800 -0.437 0.000 1.078 236 D HN 0.802 nan 8.370 nan 0.000 0.495 237 G N 3.106 111.725 108.800 -0.302 0.000 3.042 237 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.212 237 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.212 237 G C 1.042 175.899 174.900 -0.071 0.000 1.166 237 G CA -0.208 44.857 45.100 -0.058 0.000 0.767 237 G HN 0.698 nan 8.290 nan 0.000 0.546 238 M N -0.161 119.312 119.600 -0.211 0.000 2.333 238 M HA -0.264 4.216 4.480 -0.000 0.000 0.199 238 M C 0.449 176.755 176.300 0.009 0.000 0.376 238 M CA 1.013 56.213 55.300 -0.166 0.000 0.440 238 M CB -2.230 30.324 32.600 -0.076 0.000 1.506 238 M HN 0.660 nan 8.290 nan 0.000 0.889 239 H N -3.629 115.523 119.070 0.137 0.000 2.899 239 H HA -0.045 4.511 4.556 -0.000 0.000 0.282 239 H C 0.863 176.384 175.328 0.321 0.000 1.198 239 H CA 0.896 57.065 56.048 0.201 0.000 1.140 239 H CB -1.764 28.117 29.762 0.198 0.000 1.317 239 H HN 0.808 nan 8.280 nan 0.000 0.375 240 G N -1.027 107.981 108.800 0.347 0.000 2.820 240 G HA2 0.408 4.368 3.960 -0.000 0.000 0.291 240 G HA3 0.408 4.368 3.960 -0.000 0.000 0.291 240 G C 0.621 175.712 174.900 0.318 0.000 1.323 240 G CA -0.216 45.127 45.100 0.405 0.000 1.055 240 G HN 0.196 nan 8.290 nan 0.000 0.520 241 V N 0.502 120.606 119.914 0.316 0.000 3.186 241 V HA -0.003 4.117 4.120 -0.000 0.000 0.270 241 V C 2.600 178.930 176.094 0.394 0.000 1.149 241 V CA 2.382 64.868 62.300 0.311 0.000 1.160 241 V CB -0.631 31.365 31.823 0.290 0.000 0.758 241 V HN 0.804 nan 8.190 nan 0.000 0.516 242 A N -0.360 122.671 122.820 0.351 0.000 2.119 242 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 242 A C 2.253 180.132 177.584 0.492 0.000 1.153 242 A CA 1.217 53.503 52.037 0.415 0.000 0.692 242 A CB -0.827 18.431 19.000 0.430 0.000 0.799 242 A HN 0.589 nan 8.150 nan 0.000 0.458 243 G N 1.001 110.039 108.800 0.396 0.000 2.545 243 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 243 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 243 G C -0.197 174.874 174.900 0.284 0.000 1.218 243 G CA 1.375 46.681 45.100 0.342 0.000 0.787 243 G HN 0.466 nan 8.290 nan 0.000 0.571 244 P HA -0.176 nan 4.420 nan 0.000 0.216 244 P C 1.275 178.592 177.300 0.028 0.000 1.157 244 P CA 1.369 64.492 63.100 0.039 0.000 0.880 244 P CB -0.201 31.429 31.700 -0.118 0.000 0.791 245 Y N -0.650 119.715 120.300 0.109 0.000 2.224 245 Y HA -0.115 4.435 4.550 -0.000 0.000 0.289 245 Y C 2.585 178.477 175.900 -0.012 0.000 1.146 245 Y CA 1.225 59.361 58.100 0.060 0.000 1.182 245 Y CB -1.426 37.001 38.460 -0.054 0.000 0.983 245 Y HN -0.084 nan 8.280 nan 0.000 0.524 246 A N 0.253 123.207 122.820 0.224 0.000 1.897 246 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 246 A C 2.173 179.921 177.584 0.274 0.000 1.181 246 A CA 1.505 53.671 52.037 0.216 0.000 0.620 246 A CB -0.447 18.794 19.000 0.401 0.000 0.821 246 A HN 0.359 nan 8.150 nan 0.000 0.443 247 K N -1.391 119.162 120.400 0.255 0.000 2.026 247 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 247 K C 2.161 178.866 176.600 0.175 0.000 1.048 247 K CA 1.740 58.158 56.287 0.218 0.000 0.929 247 K CB -0.317 32.293 32.500 0.184 0.000 0.713 247 K HN 0.689 nan 8.250 nan 0.000 0.439 248 H N 0.864 119.955 119.070 0.035 0.000 2.333 248 H HA 0.033 4.589 4.556 -0.000 0.000 0.302 248 H C 1.776 177.091 175.328 -0.021 0.000 1.075 248 H CA 1.525 57.576 56.048 0.006 0.000 1.348 248 H CB -0.047 29.707 29.762 -0.012 0.000 1.393 248 H HN 0.064 nan 8.280 nan 0.000 0.509 249 I N -0.841 119.601 120.570 -0.213 0.000 2.233 249 I HA -0.196 3.974 4.170 -0.000 0.000 0.243 249 I C 1.629 177.473 176.117 -0.454 0.000 1.093 249 I CA 0.849 61.919 61.300 -0.385 0.000 1.380 249 I CB -0.235 37.478 38.000 -0.478 0.000 1.067 249 I HN 0.149 nan 8.210 nan 0.000 0.413 250 F N 0.831 120.653 119.950 -0.214 0.000 2.234 250 F HA 0.042 4.569 4.527 -0.000 0.000 0.296 250 F C 2.294 177.956 175.800 -0.229 0.000 1.089 250 F CA 0.955 58.763 58.000 -0.320 0.000 1.343 250 F CB -1.378 37.541 39.000 -0.135 0.000 1.040 250 F HN -0.038 nan 8.300 nan 0.000 0.498 251 G N -0.492 108.363 108.800 0.093 0.000 2.583 251 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.215 251 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.215 251 G C 1.592 176.496 174.900 0.007 0.000 1.481 251 G CA 0.970 46.118 45.100 0.080 0.000 0.948 251 G HN 0.204 nan 8.290 nan 0.000 0.511 252 T N 1.596 116.169 114.554 0.031 0.000 2.653 252 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 252 T C 2.361 177.030 174.700 -0.051 0.000 1.037 252 T CA 1.593 63.708 62.100 0.025 0.000 1.159 252 T CB -0.316 68.629 68.868 0.129 0.000 0.859 252 T HN 0.112 nan 8.240 nan 0.000 0.449 253 L N -0.636 120.501 121.223 -0.144 0.000 2.202 253 L HA 0.208 4.548 4.340 -0.000 0.000 0.205 253 L C 2.282 179.048 176.870 -0.174 0.000 1.083 253 L CA 0.832 55.594 54.840 -0.130 0.000 0.790 253 L CB -0.249 41.749 42.059 -0.101 0.000 0.942 253 L HN 0.228 nan 8.230 nan 0.000 0.452 254 L N -0.908 120.117 121.223 -0.330 0.000 2.556 254 L HA 0.266 4.606 4.340 -0.000 0.000 0.226 254 L C 1.245 177.915 176.870 -0.333 0.000 1.089 254 L CA 0.568 55.089 54.840 -0.531 0.000 0.864 254 L CB 0.068 41.437 42.059 -1.149 0.000 1.067 254 L HN 0.422 nan 8.230 nan 0.000 0.477 255 G N 0.836 109.539 108.800 -0.162 0.000 2.142 255 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.225 255 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.225 255 G C 0.424 175.406 174.900 0.137 0.000 1.015 255 G CA -0.016 45.086 45.100 0.005 0.000 0.716 255 G HN 0.440 nan 8.290 nan 0.000 0.508 256 C N 0.728 120.133 119.300 0.175 0.000 2.727 256 C HA 0.764 5.224 4.460 -0.000 0.000 0.401 256 C C 1.592 176.716 174.990 0.222 0.000 1.294 256 C CA 0.126 59.353 59.018 0.348 0.000 2.134 256 C CB 0.630 28.619 27.740 0.416 0.000 2.724 256 C HN 1.803 nan 8.230 nan 0.000 0.677 257 S N 1.685 117.506 115.700 0.203 0.000 2.645 257 S HA 0.370 4.840 4.470 -0.000 0.000 0.266 257 S C 0.732 175.420 174.600 0.145 0.000 1.258 257 S CA -0.321 57.965 58.200 0.143 0.000 0.990 257 S CB 0.869 64.134 63.200 0.107 0.000 0.967 257 S HN 0.804 nan 8.310 nan 0.000 0.556 258 K N 1.115 121.583 120.400 0.113 0.000 2.147 258 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 258 K C 2.033 178.695 176.600 0.104 0.000 1.049 258 K CA 1.895 58.248 56.287 0.109 0.000 0.936 258 K CB -0.483 32.068 32.500 0.085 0.000 0.722 258 K HN 0.913 nan 8.250 nan 0.000 0.446 259 E N -0.471 119.781 120.200 0.086 0.000 2.427 259 E HA -0.009 4.341 4.350 -0.000 0.000 0.196 259 E C 1.060 177.703 176.600 0.072 0.000 1.028 259 E CA 0.786 57.224 56.400 0.064 0.000 0.864 259 E CB 0.037 29.761 29.700 0.039 0.000 0.813 259 E HN -0.035 nan 8.360 nan 0.000 0.514 260 S N 0.515 116.290 115.700 0.126 0.000 2.527 260 S HA 0.129 4.599 4.470 -0.000 0.000 0.222 260 S C 0.530 175.255 174.600 0.209 0.000 0.985 260 S CA 0.227 58.536 58.200 0.180 0.000 0.921 260 S CB -0.021 63.371 63.200 0.320 0.000 0.772 260 S HN 0.235 nan 8.310 nan 0.000 0.529 261 L N 2.723 124.063 121.223 0.194 0.000 2.298 261 L HA 0.526 4.866 4.340 -0.000 0.000 0.284 261 L C -0.889 176.056 176.870 0.125 0.000 1.013 261 L CA -0.406 54.569 54.840 0.225 0.000 0.824 261 L CB 1.199 43.424 42.059 0.276 0.000 1.221 261 L HN 0.036 nan 8.230 nan 0.000 0.418 262 L N 2.500 123.759 121.223 0.060 0.000 2.334 262 L HA 0.470 4.810 4.340 -0.000 0.000 0.276 262 L C 0.412 177.230 176.870 -0.086 0.000 1.014 262 L CA -0.824 53.999 54.840 -0.028 0.000 0.815 262 L CB 1.302 43.301 42.059 -0.099 0.000 1.268 262 L HN 0.647 nan 8.230 nan 0.000 0.428 263 N N 0.213 118.833 118.700 -0.134 0.000 2.710 263 N HA -0.199 4.540 4.740 -0.000 0.000 0.249 263 N C 0.382 175.819 175.510 -0.121 0.000 1.059 263 N CA 0.321 53.166 53.050 -0.342 0.000 0.720 263 N CB -0.940 37.048 38.487 -0.832 0.000 0.983 263 N HN 0.637 nan 8.380 nan 0.000 0.544 264 C N 0.070 119.402 119.300 0.054 0.000 2.625 264 C HA 0.089 4.549 4.460 -0.000 0.000 0.285 264 C C 0.482 175.571 174.990 0.164 0.000 1.279 264 C CA -0.237 58.879 59.018 0.163 0.000 1.698 264 C CB -1.059 26.822 27.740 0.235 0.000 1.821 264 C HN 0.336 nan 8.230 nan 0.000 0.600 265 D N 1.802 122.293 120.400 0.152 0.000 2.412 265 D HA 0.282 4.922 4.640 -0.000 0.000 0.224 265 D C -2.387 174.025 176.300 0.186 0.000 1.093 265 D CA -1.232 52.863 54.000 0.158 0.000 0.850 265 D CB 0.726 41.616 40.800 0.151 0.000 1.046 265 D HN 0.100 nan 8.370 nan 0.000 0.507 266 P HA 0.044 nan 4.420 nan 0.000 0.265 266 P C -0.676 176.691 177.300 0.111 0.000 1.187 266 P CA 0.007 63.207 63.100 0.167 0.000 0.766 266 P CB 0.659 32.442 31.700 0.139 0.000 0.820 267 S N 1.049 116.785 115.700 0.061 0.000 2.571 267 S HA 0.163 4.633 4.470 -0.000 0.000 0.284 267 S C 0.938 175.375 174.600 -0.272 0.000 1.128 267 S CA -0.673 57.498 58.200 -0.049 0.000 0.970 267 S CB 0.773 63.961 63.200 -0.020 0.000 1.039 267 S HN 0.502 nan 8.310 nan 0.000 0.485 268 E N 2.372 122.465 120.200 -0.178 0.000 2.455 268 E HA -0.137 4.213 4.350 -0.000 0.000 0.202 268 E C 0.155 176.564 176.600 -0.317 0.000 1.045 268 E CA 1.326 57.612 56.400 -0.190 0.000 0.872 268 E CB -0.252 29.482 29.700 0.056 0.000 0.792 268 E HN 0.689 nan 8.360 nan 0.000 0.542 269 D N -1.098 119.083 120.400 -0.364 0.000 2.539 269 D HA -0.027 4.613 4.640 -0.000 0.000 0.232 269 D C -0.056 176.158 176.300 -0.144 0.000 1.256 269 D CA -0.687 53.165 54.000 -0.247 0.000 0.810 269 D CB -0.578 40.173 40.800 -0.082 0.000 1.090 269 D HN 0.129 nan 8.370 nan 0.000 0.519 270 F N 0.901 120.870 119.950 0.031 0.000 3.006 270 F HA -0.060 4.467 4.527 -0.000 0.000 0.289 270 F C 1.463 177.188 175.800 -0.125 0.000 0.772 270 F CA 0.741 58.767 58.000 0.043 0.000 1.162 270 F CB -1.934 37.099 39.000 0.055 0.000 1.382 270 F HN 0.386 nan 8.300 nan 0.000 0.406 271 G N -1.167 107.554 108.800 -0.132 0.000 2.212 271 G HA2 0.227 4.187 3.960 -0.000 0.000 0.255 271 G HA3 0.227 4.187 3.960 -0.000 0.000 0.255 271 G C 1.639 176.448 174.900 -0.151 0.000 1.062 271 G CA 0.922 45.833 45.100 -0.315 0.000 0.815 271 G HN 2.076 nan 8.290 nan 0.000 0.497 272 G N -1.659 107.108 108.800 -0.055 0.000 2.412 272 G HA2 0.029 3.989 3.960 -0.000 0.000 0.252 272 G HA3 0.029 3.989 3.960 -0.000 0.000 0.252 272 G C 1.753 176.626 174.900 -0.045 0.000 1.038 272 G CA 1.403 46.480 45.100 -0.037 0.000 0.628 272 G HN 2.214 nan 8.290 nan 0.000 0.531 273 G N -0.955 107.843 108.800 -0.004 0.000 2.535 273 G HA2 0.520 4.480 3.960 -0.000 0.000 0.282 273 G HA3 0.520 4.480 3.960 -0.000 0.000 0.282 273 G C -0.608 174.204 174.900 -0.145 0.000 1.350 273 G CA -0.271 44.841 45.100 0.020 0.000 1.039 273 G HN 0.518 nan 8.290 nan 0.000 0.509 274 H N 0.495 119.396 119.070 -0.282 0.000 2.597 274 H HA 0.328 4.884 4.556 -0.000 0.000 0.303 274 H C -1.815 173.284 175.328 -0.381 0.000 1.057 274 H CA -1.863 53.874 56.048 -0.518 0.000 1.261 274 H CB 1.715 30.669 29.762 -1.347 0.000 1.397 274 H HN 0.197 nan 8.280 nan 0.000 0.461 275 P HA 0.002 nan 4.420 nan 0.000 0.232 275 P C -0.628 176.584 177.300 -0.147 0.000 1.738 275 P CA 0.098 63.046 63.100 -0.254 0.000 0.948 275 P CB -0.056 31.255 31.700 -0.647 0.000 1.943 276 D N 2.083 122.430 120.400 -0.089 0.000 2.481 276 D HA 0.273 4.913 4.640 -0.000 0.000 0.246 276 D C -2.544 173.745 176.300 -0.019 0.000 1.109 276 D CA -2.745 51.245 54.000 -0.017 0.000 0.845 276 D CB 1.858 42.632 40.800 -0.044 0.000 1.160 276 D HN 0.081 nan 8.370 nan 0.000 0.534 277 P HA 0.229 nan 4.420 nan 0.000 0.286 277 P C -1.178 175.696 177.300 -0.710 0.000 1.321 277 P CA -0.353 62.574 63.100 -0.288 0.000 0.790 277 P CB 0.563 32.154 31.700 -0.182 0.000 0.897 278 N N 2.121 120.466 118.700 -0.592 0.000 3.356 278 N HA 0.088 4.828 4.740 -0.000 0.000 0.246 278 N C 0.644 175.881 175.510 -0.455 0.000 1.480 278 N CA -0.903 51.718 53.050 -0.716 0.000 0.877 278 N CB -0.150 37.960 38.487 -0.627 0.000 1.431 278 N HN -0.029 nan 8.380 nan 0.000 0.500 279 L N -0.777 120.179 121.223 -0.446 0.000 2.129 279 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 279 L C 2.165 178.877 176.870 -0.263 0.000 1.087 279 L CA 2.255 56.862 54.840 -0.389 0.000 0.757 279 L CB -0.993 40.836 42.059 -0.383 0.000 0.896 279 L HN 0.924 nan 8.230 nan 0.000 0.434 280 T N -3.664 110.694 114.554 -0.326 0.000 2.814 280 T HA -0.136 4.214 4.350 -0.000 0.000 0.254 280 T C 1.821 176.438 174.700 -0.138 0.000 1.037 280 T CA 0.610 62.535 62.100 -0.293 0.000 1.143 280 T CB -0.633 67.939 68.868 -0.494 0.000 0.866 280 T HN 0.108 nan 8.240 nan 0.000 0.431 281 Y N 2.408 122.649 120.300 -0.099 0.000 2.352 281 Y HA 0.451 5.001 4.550 -0.000 0.000 0.292 281 Y C 2.410 178.237 175.900 -0.122 0.000 1.136 281 Y CA -0.289 57.780 58.100 -0.053 0.000 1.227 281 Y CB -0.752 37.651 38.460 -0.094 0.000 0.991 281 Y HN 0.427 nan 8.280 nan 0.000 0.545 282 A N -0.143 122.629 122.820 -0.079 0.000 3.012 282 A HA 0.229 4.549 4.320 -0.000 0.000 0.295 282 A C 1.160 178.579 177.584 -0.275 0.000 1.338 282 A CA -0.182 51.715 52.037 -0.233 0.000 0.981 282 A CB -1.450 17.407 19.000 -0.240 0.000 1.091 282 A HN 0.669 nan 8.150 nan 0.000 0.602 283 H N -1.118 117.902 119.070 -0.083 0.000 2.321 283 H HA -0.198 4.358 4.556 -0.000 0.000 0.295 283 H C 1.001 176.280 175.328 -0.082 0.000 1.102 283 H CA 1.866 57.864 56.048 -0.084 0.000 1.266 283 H CB -0.263 29.471 29.762 -0.046 0.000 1.363 283 H HN 0.394 nan 8.280 nan 0.000 0.492 284 D N 0.889 121.098 120.400 -0.318 0.000 2.123 284 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 284 D C 2.314 178.522 176.300 -0.153 0.000 0.992 284 D CA 0.984 54.910 54.000 -0.124 0.000 0.833 284 D CB -0.225 40.475 40.800 -0.166 0.000 0.954 284 D HN 0.281 nan 8.370 nan 0.000 0.455 285 L N 1.255 122.341 121.223 -0.229 0.000 2.046 285 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 285 L C 2.356 179.101 176.870 -0.208 0.000 1.077 285 L CA 1.233 55.933 54.840 -0.233 0.000 0.747 285 L CB -0.827 41.061 42.059 -0.284 0.000 0.896 285 L HN -0.095 nan 8.230 nan 0.000 0.432 286 V N 0.130 119.925 119.914 -0.199 0.000 2.407 286 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 286 V C 2.622 178.628 176.094 -0.148 0.000 1.055 286 V CA 1.874 64.055 62.300 -0.199 0.000 1.049 286 V CB -0.487 31.215 31.823 -0.202 0.000 0.662 286 V HN 0.521 nan 8.190 nan 0.000 0.455 287 E N 0.109 120.259 120.200 -0.082 0.000 2.015 287 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 287 E C 2.315 178.874 176.600 -0.068 0.000 0.991 287 E CA 1.373 57.748 56.400 -0.041 0.000 0.802 287 E CB -0.187 29.517 29.700 0.007 0.000 0.759 287 E HN 0.518 nan 8.360 nan 0.000 0.447 288 L N 0.344 121.515 121.223 -0.086 0.000 2.089 288 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 288 L C 2.103 178.903 176.870 -0.116 0.000 1.079 288 L CA 0.878 55.658 54.840 -0.099 0.000 0.758 288 L CB -0.112 41.874 42.059 -0.121 0.000 0.891 288 L HN 0.248 nan 8.230 nan 0.000 0.433 289 L N -0.956 120.184 121.223 -0.139 0.000 2.628 289 L HA 0.058 4.398 4.340 -0.000 0.000 0.229 289 L C 0.335 177.142 176.870 -0.106 0.000 1.137 289 L CA 0.202 54.959 54.840 -0.139 0.000 0.909 289 L CB -0.310 41.642 42.059 -0.179 0.000 1.137 289 L HN 0.135 nan 8.230 nan 0.000 0.470 290 D N -0.025 120.319 120.400 -0.095 0.000 2.735 290 D HA -0.235 4.405 4.640 -0.000 0.000 0.235 290 D C 1.230 177.477 176.300 -0.090 0.000 1.175 290 D CA 0.271 54.230 54.000 -0.068 0.000 0.683 290 D CB -0.303 40.476 40.800 -0.035 0.000 1.008 290 D HN 0.083 nan 8.370 nan 0.000 0.416 291 I N 0.691 121.142 120.570 -0.198 0.000 2.394 291 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 291 I C 1.794 177.752 176.117 -0.265 0.000 1.136 291 I CA 1.285 62.422 61.300 -0.273 0.000 1.425 291 I CB -0.833 36.886 38.000 -0.469 0.000 1.079 291 I HN 0.448 nan 8.210 nan 0.000 0.425 292 H N 1.994 121.056 119.070 -0.014 0.000 2.524 292 H HA 0.164 4.720 4.556 -0.000 0.000 0.280 292 H C 0.287 175.619 175.328 0.006 0.000 1.018 292 H CA -0.177 55.868 56.048 -0.005 0.000 1.165 292 H CB -0.069 29.680 29.762 -0.022 0.000 1.411 292 H HN 0.284 nan 8.280 nan 0.000 0.569 293 K N 0.869 121.314 120.400 0.075 0.000 3.071 293 K HA -0.216 4.104 4.320 -0.000 0.000 0.262 293 K C 0.122 176.753 176.600 0.052 0.000 0.977 293 K CA 0.518 56.840 56.287 0.058 0.000 0.721 293 K CB -1.071 31.470 32.500 0.068 0.000 1.293 293 K HN 0.388 nan 8.250 nan 0.000 0.475 294 K N 0.749 121.179 120.400 0.050 0.000 2.684 294 K HA 0.135 4.455 4.320 -0.000 0.000 0.215 294 K C 0.142 176.753 176.600 0.017 0.000 1.073 294 K CA -0.043 56.265 56.287 0.034 0.000 1.197 294 K CB 0.360 32.884 32.500 0.039 0.000 0.955 294 K HN 0.051 nan 8.250 nan 0.000 0.473 295 K N 0.476 120.883 120.400 0.013 0.000 2.556 295 K HA 0.218 4.537 4.320 -0.000 0.000 0.289 295 K C -1.446 175.155 176.600 0.001 0.000 1.040 295 K CA -0.857 55.431 56.287 0.002 0.000 0.894 295 K CB 1.007 33.503 32.500 -0.007 0.000 1.547 295 K HN -0.080 nan 8.250 nan 0.000 0.417 296 D N 0.950 121.347 120.400 -0.005 0.000 2.382 296 D HA 0.053 4.693 4.640 -0.000 0.000 0.245 296 D C 1.588 177.882 176.300 -0.010 0.000 1.120 296 D CA -0.094 53.902 54.000 -0.006 0.000 0.890 296 D CB 0.802 41.596 40.800 -0.010 0.000 1.201 296 D HN 0.296 nan 8.370 nan 0.000 0.433 297 V N 1.312 121.223 119.914 -0.005 0.000 2.216 297 V HA -0.103 4.017 4.120 -0.000 0.000 0.243 297 V C 1.991 178.069 176.094 -0.026 0.000 1.044 297 V CA 1.721 64.016 62.300 -0.008 0.000 0.995 297 V CB -1.435 30.390 31.823 0.003 0.000 0.633 297 V HN 0.596 nan 8.190 nan 0.000 0.446 298 G N 0.324 109.108 108.800 -0.026 0.000 2.843 298 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.205 298 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.205 298 G C 1.291 176.158 174.900 -0.054 0.000 1.160 298 G CA 1.236 46.310 45.100 -0.043 0.000 0.819 298 G HN 0.826 nan 8.290 nan 0.000 0.516 299 T N -3.114 111.410 114.554 -0.050 0.000 3.000 299 T HA 0.237 4.587 4.350 -0.000 0.000 0.248 299 T C 0.830 175.488 174.700 -0.070 0.000 1.034 299 T CA -0.162 61.907 62.100 -0.053 0.000 1.060 299 T CB 0.298 69.144 68.868 -0.037 0.000 0.983 299 T HN -0.102 nan 8.240 nan 0.000 0.482 300 V N 4.339 124.210 119.914 -0.071 0.000 2.614 300 V HA 0.295 4.415 4.120 -0.000 0.000 0.291 300 V C -2.211 173.808 176.094 -0.124 0.000 1.049 300 V CA -1.877 60.371 62.300 -0.086 0.000 1.038 300 V CB 0.715 32.497 31.823 -0.068 0.000 0.980 300 V HN 0.261 nan 8.190 nan 0.000 0.481 301 P HA 0.018 nan 4.420 nan 0.000 0.266 301 P C 0.335 177.512 177.300 -0.206 0.000 1.193 301 P CA 0.151 63.127 63.100 -0.206 0.000 0.770 301 P CB 0.562 32.133 31.700 -0.215 0.000 0.836 302 Q N 1.572 121.211 119.800 -0.269 0.000 2.137 302 Q HA 0.133 4.473 4.340 -0.000 0.000 0.198 302 Q C -0.160 175.846 176.000 0.010 0.000 0.960 302 Q CA 1.221 56.919 55.803 -0.174 0.000 0.847 302 Q CB -0.076 28.465 28.738 -0.328 0.000 0.915 302 Q HN 0.463 nan 8.270 nan 0.000 0.448 303 F N -1.284 118.517 119.950 -0.248 0.000 2.565 303 F HA 0.673 5.200 4.527 -0.000 0.000 0.313 303 F C -0.532 175.062 175.800 -0.342 0.000 1.091 303 F CA -0.584 57.318 58.000 -0.163 0.000 0.915 303 F CB 1.967 41.020 39.000 0.088 0.000 1.208 303 F HN -0.097 nan 8.300 nan 0.000 0.453 304 G N 2.773 111.024 108.800 -0.915 0.000 2.719 304 G HA2 0.785 4.745 3.960 -0.000 0.000 0.298 304 G HA3 0.785 4.745 3.960 -0.000 0.000 0.298 304 G C -2.244 172.161 174.900 -0.825 0.000 1.411 304 G CA -0.451 44.205 45.100 -0.741 0.000 0.991 304 G HN 1.058 nan 8.290 nan 0.000 0.509 305 A N -0.021 122.483 122.820 -0.528 0.000 2.587 305 A HA 1.051 5.371 4.320 -0.000 0.000 0.293 305 A C -0.565 176.786 177.584 -0.390 0.000 1.087 305 A CA -0.113 51.745 52.037 -0.298 0.000 0.692 305 A CB 1.722 20.774 19.000 0.086 0.000 1.291 305 A HN 2.378 nan 8.150 nan 0.000 0.407 306 A N -0.288 122.358 122.820 -0.289 0.000 2.539 306 A HA 0.733 5.053 4.320 -0.000 0.000 0.296 306 A C -0.878 176.613 177.584 -0.155 0.000 1.073 306 A CA -0.414 51.379 52.037 -0.408 0.000 0.700 306 A CB 1.063 19.872 19.000 -0.317 0.000 1.296 306 A HN 1.473 nan 8.150 nan 0.000 0.405 307 C N 1.537 120.753 119.300 -0.140 0.000 2.634 307 C HA 0.698 5.158 4.460 -0.000 0.000 0.313 307 C C -0.165 174.853 174.990 0.046 0.000 1.198 307 C CA -0.684 58.386 59.018 0.087 0.000 1.605 307 C CB 1.654 29.566 27.740 0.286 0.000 2.196 307 C HN 1.016 nan 8.230 nan 0.000 0.486 308 D N 1.248 121.702 120.400 0.090 0.000 2.372 308 D HA 0.174 4.814 4.640 -0.000 0.000 0.243 308 D C 1.358 177.670 176.300 0.020 0.000 1.297 308 D CA 0.226 54.253 54.000 0.044 0.000 0.958 308 D CB 0.079 40.946 40.800 0.110 0.000 1.114 308 D HN 0.677 nan 8.370 nan 0.000 0.496 309 G N 0.053 108.791 108.800 -0.104 0.000 2.574 309 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 309 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 309 G C 0.807 175.753 174.900 0.076 0.000 1.173 309 G CA 1.463 46.487 45.100 -0.127 0.000 0.772 309 G HN 0.767 nan 8.290 nan 0.000 0.585 310 D N -0.114 120.320 120.400 0.056 0.000 2.434 310 D HA 0.391 5.031 4.640 -0.000 0.000 0.232 310 D C 1.370 177.724 176.300 0.089 0.000 1.166 310 D CA 0.363 54.415 54.000 0.087 0.000 0.830 310 D CB -0.426 40.405 40.800 0.052 0.000 0.960 310 D HN 0.640 nan 8.370 nan 0.000 0.497 311 A N 0.892 123.782 122.820 0.116 0.000 2.774 311 A HA -0.314 4.006 4.320 -0.000 0.000 0.290 311 A C 1.408 179.093 177.584 0.168 0.000 1.484 311 A CA 1.427 53.544 52.037 0.133 0.000 0.863 311 A CB -1.998 17.005 19.000 0.005 0.000 0.989 311 A HN 0.480 nan 8.150 nan 0.000 0.554 312 D N -0.979 119.541 120.400 0.201 0.000 2.183 312 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 312 D C 1.079 177.617 176.300 0.396 0.000 0.962 312 D CA 0.932 55.112 54.000 0.300 0.000 0.849 312 D CB 0.163 41.116 40.800 0.255 0.000 0.978 312 D HN 0.757 nan 8.370 nan 0.000 0.488 313 R N 0.197 120.908 120.500 0.353 0.000 2.782 313 R HA 0.438 4.778 4.340 -0.000 0.000 0.258 313 R C -0.042 176.463 176.300 0.342 0.000 1.055 313 R CA -0.747 55.584 56.100 0.386 0.000 1.065 313 R CB 1.373 31.908 30.300 0.392 0.000 1.172 313 R HN 0.181 nan 8.270 nan 0.000 0.510 314 N N 0.826 119.754 118.700 0.381 0.000 2.405 314 N HA 0.231 4.971 4.740 -0.000 0.000 0.274 314 N C -1.555 174.204 175.510 0.415 0.000 1.170 314 N CA -0.716 52.543 53.050 0.349 0.000 0.848 314 N CB 2.388 41.104 38.487 0.381 0.000 1.629 314 N HN 0.466 nan 8.380 nan 0.000 0.481 315 M N 1.910 121.681 119.600 0.285 0.000 2.326 315 M HA 0.493 4.973 4.480 -0.000 0.000 0.306 315 M C -1.913 174.454 176.300 0.111 0.000 1.054 315 M CA -0.748 54.756 55.300 0.339 0.000 0.922 315 M CB 1.313 34.012 32.600 0.165 0.000 1.632 315 M HN 0.581 nan 8.290 nan 0.000 0.436 316 I N 5.586 126.189 120.570 0.055 0.000 2.354 316 I HA 0.488 4.658 4.170 -0.000 0.000 0.292 316 I C -1.056 174.881 176.117 -0.300 0.000 0.989 316 I CA -0.246 60.891 61.300 -0.272 0.000 1.188 316 I CB 1.678 39.400 38.000 -0.463 0.000 1.342 316 I HN 0.656 nan 8.210 nan 0.000 0.457 317 L N 5.600 126.517 121.223 -0.510 0.000 2.365 317 L HA 0.786 5.126 4.340 -0.000 0.000 0.273 317 L C 0.425 177.052 176.870 -0.405 0.000 1.000 317 L CA -0.629 54.009 54.840 -0.338 0.000 0.819 317 L CB 1.914 43.806 42.059 -0.278 0.000 1.284 317 L HN 0.670 nan 8.230 nan 0.000 0.418 318 G N 0.923 109.651 108.800 -0.121 0.000 2.601 318 G HA2 0.431 4.391 3.960 -0.000 0.000 0.317 318 G HA3 0.431 4.391 3.960 -0.000 0.000 0.317 318 G C -0.840 174.066 174.900 0.010 0.000 1.246 318 G CA -0.766 44.327 45.100 -0.012 0.000 1.012 318 G HN 0.623 nan 8.290 nan 0.000 0.494 319 R N 0.208 120.722 120.500 0.025 0.000 2.404 319 R HA 0.106 4.446 4.340 -0.000 0.000 0.315 319 R C 0.043 176.380 176.300 0.062 0.000 1.032 319 R CA 0.357 56.455 56.100 -0.002 0.000 0.992 319 R CB -0.301 29.985 30.300 -0.024 0.000 0.959 319 R HN 0.684 nan 8.270 nan 0.000 0.428 320 Q N 1.889 121.711 119.800 0.036 0.000 2.457 320 Q HA -0.263 4.076 4.340 -0.000 0.000 0.283 320 Q C -1.420 174.700 176.000 0.200 0.000 1.234 320 Q CA 1.170 57.015 55.803 0.070 0.000 0.877 320 Q CB -1.140 27.642 28.738 0.073 0.000 1.250 320 Q HN 0.547 nan 8.270 nan 0.000 0.481 321 F N 0.391 120.335 119.950 -0.010 0.000 2.630 321 F HA 0.446 4.973 4.527 -0.000 0.000 0.325 321 F C -1.499 174.336 175.800 0.058 0.000 1.184 321 F CA -1.359 56.664 58.000 0.038 0.000 1.011 321 F CB 1.206 40.217 39.000 0.019 0.000 1.268 321 F HN 0.008 nan 8.300 nan 0.000 0.480 322 F N 7.595 127.210 119.950 -0.557 0.000 2.385 322 F HA 0.647 5.174 4.527 -0.000 0.000 0.360 322 F C -1.276 174.237 175.800 -0.479 0.000 1.122 322 F CA -1.221 56.544 58.000 -0.392 0.000 1.090 322 F CB 0.913 39.759 39.000 -0.255 0.000 1.150 322 F HN 0.139 nan 8.300 nan 0.000 0.472 323 V N 6.206 125.800 119.914 -0.535 0.000 2.353 323 V HA 0.162 4.282 4.120 -0.000 0.000 0.264 323 V C 0.443 176.044 176.094 -0.820 0.000 1.049 323 V CA -0.459 61.524 62.300 -0.527 0.000 0.896 323 V CB 0.324 31.973 31.823 -0.290 0.000 1.025 323 V HN 0.894 nan 8.190 nan 0.000 0.475 324 T N 4.049 118.053 114.554 -0.917 0.000 2.934 324 T HA 0.086 4.436 4.350 -0.000 0.000 0.306 324 T C -1.454 173.017 174.700 -0.381 0.000 1.042 324 T CA -0.916 60.726 62.100 -0.764 0.000 1.145 324 T CB 0.828 69.473 68.868 -0.373 0.000 0.982 324 T HN 0.392 nan 8.240 nan 0.000 0.544 325 P HA -0.158 nan 4.420 nan 0.000 0.218 325 P C 1.823 179.020 177.300 -0.171 0.000 1.154 325 P CA 1.378 64.322 63.100 -0.259 0.000 0.872 325 P CB -0.096 31.323 31.700 -0.469 0.000 0.790 326 S N -1.061 114.504 115.700 -0.226 0.000 2.382 326 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 326 S C 1.537 176.045 174.600 -0.155 0.000 1.027 326 S CA 1.516 59.575 58.200 -0.234 0.000 0.991 326 S CB -0.980 61.955 63.200 -0.442 0.000 0.823 326 S HN 0.226 nan 8.310 nan 0.000 0.469 327 D N 0.682 121.012 120.400 -0.117 0.000 2.194 327 D HA 0.011 4.651 4.640 -0.000 0.000 0.204 327 D C 2.110 178.337 176.300 -0.121 0.000 0.964 327 D CA 0.679 54.628 54.000 -0.086 0.000 0.846 327 D CB -0.442 40.379 40.800 0.036 0.000 0.962 327 D HN 0.296 nan 8.370 nan 0.000 0.490 328 S N -0.046 115.654 115.700 0.000 0.000 2.370 328 S HA -0.098 4.372 4.470 -0.000 0.000 0.226 328 S C 1.948 176.605 174.600 0.094 0.000 1.033 328 S CA 0.565 58.899 58.200 0.224 0.000 1.011 328 S CB -0.281 63.089 63.200 0.284 0.000 0.852 328 S HN 0.250 nan 8.310 nan 0.000 0.457 329 L N 0.821 122.045 121.223 0.002 0.000 1.994 329 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 329 L C 2.735 179.537 176.870 -0.114 0.000 1.071 329 L CA 1.759 56.580 54.840 -0.031 0.000 0.745 329 L CB -0.921 41.098 42.059 -0.067 0.000 0.892 329 L HN 0.485 nan 8.230 nan 0.000 0.431 330 A N -0.923 121.782 122.820 -0.191 0.000 1.930 330 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 330 A C 2.160 179.471 177.584 -0.456 0.000 1.175 330 A CA 1.666 53.533 52.037 -0.283 0.000 0.627 330 A CB -0.765 18.091 19.000 -0.240 0.000 0.815 330 A HN 0.339 nan 8.150 nan 0.000 0.443 331 V N 0.218 119.789 119.914 -0.572 0.000 2.358 331 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 331 V C 2.399 178.253 176.094 -0.401 0.000 1.047 331 V CA 1.950 63.909 62.300 -0.568 0.000 1.035 331 V CB -0.648 30.922 31.823 -0.422 0.000 0.658 331 V HN 0.573 nan 8.190 nan 0.000 0.452 332 I N 0.452 120.829 120.570 -0.321 0.000 2.226 332 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 332 I C 2.680 178.754 176.117 -0.072 0.000 1.100 332 I CA 1.465 62.625 61.300 -0.233 0.000 1.374 332 I CB -0.604 37.355 38.000 -0.068 0.000 1.057 332 I HN 0.287 nan 8.210 nan 0.000 0.413 333 A N 0.814 123.587 122.820 -0.078 0.000 1.908 333 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 333 A C 2.521 180.057 177.584 -0.081 0.000 1.181 333 A CA 1.918 53.916 52.037 -0.065 0.000 0.627 333 A CB -0.836 18.091 19.000 -0.121 0.000 0.818 333 A HN 0.440 nan 8.150 nan 0.000 0.445 334 A N -0.303 122.434 122.820 -0.138 0.000 2.015 334 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 334 A C 1.366 178.954 177.584 0.005 0.000 1.163 334 A CA 1.613 53.614 52.037 -0.061 0.000 0.646 334 A CB -0.488 18.513 19.000 0.002 0.000 0.806 334 A HN 0.590 nan 8.150 nan 0.000 0.448 335 N N -0.628 118.037 118.700 -0.060 0.000 2.321 335 N HA 0.430 5.170 4.740 -0.000 0.000 0.242 335 N C 1.074 176.567 175.510 -0.029 0.000 1.141 335 N CA 0.520 53.525 53.050 -0.075 0.000 0.864 335 N CB 0.446 38.826 38.487 -0.178 0.000 1.100 335 N HN 0.368 nan 8.380 nan 0.000 0.510 336 A N 0.832 123.690 122.820 0.064 0.000 1.940 336 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 336 A C 1.688 179.380 177.584 0.180 0.000 1.176 336 A CA 1.300 53.486 52.037 0.248 0.000 0.631 336 A CB -0.450 18.645 19.000 0.158 0.000 0.814 336 A HN 0.451 nan 8.150 nan 0.000 0.446 337 N N -0.590 118.136 118.700 0.045 0.000 2.575 337 N HA 0.099 4.839 4.740 -0.000 0.000 0.192 337 N C 0.770 176.215 175.510 -0.109 0.000 1.200 337 N CA 0.263 53.306 53.050 -0.012 0.000 0.897 337 N CB -0.048 38.422 38.487 -0.028 0.000 0.990 337 N HN 0.484 nan 8.380 nan 0.000 0.449 338 L N -0.836 120.294 121.223 -0.154 0.000 2.749 338 L HA 0.265 4.605 4.340 -0.000 0.000 0.242 338 L C 1.379 178.124 176.870 -0.208 0.000 1.103 338 L CA 0.170 54.817 54.840 -0.322 0.000 0.906 338 L CB 0.365 42.199 42.059 -0.375 0.000 1.228 338 L HN 0.122 nan 8.230 nan 0.000 0.517 339 I N -1.383 119.070 120.570 -0.194 0.000 3.366 339 I HA 0.071 4.241 4.170 -0.000 0.000 0.267 339 I C 0.021 175.840 176.117 -0.496 0.000 1.149 339 I CA 0.179 61.251 61.300 -0.380 0.000 1.436 339 I CB 0.482 38.105 38.000 -0.629 0.000 1.379 339 I HN -0.107 nan 8.210 nan 0.000 0.460 340 F N 2.945 122.857 119.950 -0.064 0.000 2.424 340 F HA 0.183 4.710 4.527 -0.000 0.000 0.356 340 F C 1.628 177.388 175.800 -0.067 0.000 1.110 340 F CA -0.704 57.259 58.000 -0.061 0.000 1.161 340 F CB 0.634 39.617 39.000 -0.028 0.000 1.115 340 F HN -0.013 nan 8.300 nan 0.000 0.507 341 K N 0.862 121.290 120.400 0.046 0.000 2.211 341 K HA -0.252 4.068 4.320 -0.000 0.000 0.204 341 K C 0.759 177.379 176.600 0.034 0.000 1.047 341 K CA 2.107 58.401 56.287 0.011 0.000 0.935 341 K CB -0.123 32.364 32.500 -0.022 0.000 0.728 341 K HN 0.527 nan 8.250 nan 0.000 0.452 342 N N 0.233 118.973 118.700 0.066 0.000 2.291 342 N HA 0.166 4.906 4.740 -0.000 0.000 0.244 342 N C -0.429 175.102 175.510 0.035 0.000 1.216 342 N CA 0.662 53.734 53.050 0.036 0.000 0.879 342 N CB 1.369 39.867 38.487 0.018 0.000 1.167 342 N HN 0.517 nan 8.380 nan 0.000 0.515 343 G N 0.259 109.107 108.800 0.081 0.000 2.750 343 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.228 343 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.228 343 G C -1.029 173.804 174.900 -0.111 0.000 1.367 343 G CA -0.540 44.579 45.100 0.032 0.000 0.871 343 G HN 0.218 nan 8.290 nan 0.000 0.560 344 L N 0.259 121.371 121.223 -0.185 0.000 2.305 344 L HA 0.539 4.879 4.340 -0.000 0.000 0.281 344 L C 1.591 178.358 176.870 -0.172 0.000 1.085 344 L CA 0.051 54.707 54.840 -0.305 0.000 0.813 344 L CB 1.285 43.187 42.059 -0.262 0.000 1.157 344 L HN 0.563 nan 8.230 nan 0.000 0.436 345 L N 2.913 124.033 121.223 -0.172 0.000 2.375 345 L HA 0.371 4.711 4.340 -0.000 0.000 0.215 345 L C 0.867 177.725 176.870 -0.021 0.000 1.108 345 L CA 0.493 55.287 54.840 -0.078 0.000 0.830 345 L CB -0.081 41.934 42.059 -0.072 0.000 0.959 345 L HN 0.815 nan 8.230 nan 0.000 0.457 346 G N -0.965 107.808 108.800 -0.045 0.000 2.328 346 G HA2 0.505 4.465 3.960 -0.000 0.000 0.299 346 G HA3 0.505 4.465 3.960 -0.000 0.000 0.299 346 G C -2.128 172.774 174.900 0.003 0.000 1.435 346 G CA -0.106 45.027 45.100 0.055 0.000 0.865 346 G HN 0.075 nan 8.290 nan 0.000 0.601 347 A N -0.921 121.930 122.820 0.051 0.000 2.475 347 A HA 1.103 5.423 4.320 -0.000 0.000 0.301 347 A C -0.071 177.558 177.584 0.074 0.000 1.059 347 A CA 0.226 52.249 52.037 -0.024 0.000 0.710 347 A CB 1.689 20.637 19.000 -0.087 0.000 1.288 347 A HN 2.538 nan 8.150 nan 0.000 0.408 348 A N 1.242 124.038 122.820 -0.041 0.000 2.435 348 A HA 0.911 5.231 4.320 -0.000 0.000 0.304 348 A C -0.303 177.235 177.584 -0.076 0.000 1.064 348 A CA -0.648 51.414 52.037 0.042 0.000 0.727 348 A CB 1.209 20.266 19.000 0.095 0.000 1.284 348 A HN 1.441 nan 8.150 nan 0.000 0.415 349 R N 0.547 121.106 120.500 0.099 0.000 2.771 349 R HA 0.751 5.091 4.340 -0.000 0.000 0.274 349 R C -0.454 175.958 176.300 0.185 0.000 0.987 349 R CA -0.382 55.769 56.100 0.086 0.000 0.908 349 R CB 1.510 31.797 30.300 -0.022 0.000 1.213 349 R HN 0.546 nan 8.270 nan 0.000 0.468 350 S N 1.578 117.383 115.700 0.174 0.000 2.579 350 S HA 0.012 4.482 4.470 -0.000 0.000 0.275 350 S C 1.245 175.778 174.600 -0.112 0.000 1.345 350 S CA -0.684 57.528 58.200 0.020 0.000 1.031 350 S CB 0.657 63.866 63.200 0.014 0.000 0.892 350 S HN 0.775 nan 8.310 nan 0.000 0.529 351 M N 4.354 123.823 119.600 -0.219 0.000 2.108 351 M HA -0.023 4.457 4.480 -0.000 0.000 0.261 351 M C -1.252 174.844 176.300 -0.339 0.000 1.066 351 M CA 1.920 57.006 55.300 -0.356 0.000 1.107 351 M CB -2.179 30.031 32.600 -0.650 0.000 1.356 351 M HN 0.439 nan 8.290 nan 0.000 0.406 352 P HA -0.007 nan 4.420 nan 0.000 0.229 352 P C -0.036 177.070 177.300 -0.324 0.000 1.160 352 P CA 0.672 63.393 63.100 -0.632 0.000 0.777 352 P CB -0.236 30.764 31.700 -1.168 0.000 0.814 353 T N 0.410 114.842 114.554 -0.204 0.000 2.926 353 T HA 0.160 4.510 4.350 -0.000 0.000 0.307 353 T C 0.697 175.244 174.700 -0.255 0.000 1.059 353 T CA -0.147 61.836 62.100 -0.195 0.000 1.122 353 T CB 0.167 68.952 68.868 -0.137 0.000 0.972 353 T HN 0.092 nan 8.240 nan 0.000 0.545 354 S N 1.788 117.156 115.700 -0.554 0.000 2.573 354 S HA 0.194 4.664 4.470 -0.000 0.000 0.277 354 S C 1.476 175.971 174.600 -0.174 0.000 1.346 354 S CA -0.334 57.631 58.200 -0.390 0.000 1.034 354 S CB 0.577 63.426 63.200 -0.585 0.000 0.879 354 S HN 0.887 nan 8.310 nan 0.000 0.528 355 G N 0.923 109.679 108.800 -0.074 0.000 3.210 355 G HA2 0.375 4.335 3.960 -0.000 0.000 0.220 355 G HA3 0.375 4.335 3.960 -0.000 0.000 0.220 355 G C 1.188 176.055 174.900 -0.056 0.000 1.200 355 G CA 0.178 45.236 45.100 -0.069 0.000 0.834 355 G HN 1.088 nan 8.290 nan 0.000 0.524 356 A N 0.653 123.462 122.820 -0.017 0.000 1.908 356 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 356 A C 2.221 179.817 177.584 0.020 0.000 1.181 356 A CA 1.513 53.599 52.037 0.081 0.000 0.627 356 A CB -0.289 18.799 19.000 0.146 0.000 0.818 356 A HN 0.512 nan 8.150 nan 0.000 0.445 357 L N 0.305 121.495 121.223 -0.056 0.000 2.042 357 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 357 L C 1.619 178.430 176.870 -0.098 0.000 1.076 357 L CA 2.652 57.435 54.840 -0.095 0.000 0.749 357 L CB -0.714 41.286 42.059 -0.099 0.000 0.893 357 L HN 0.375 nan 8.230 nan 0.000 0.432 358 D N -0.259 120.089 120.400 -0.086 0.000 2.116 358 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 358 D C 2.077 178.326 176.300 -0.086 0.000 0.998 358 D CA 1.280 55.226 54.000 -0.091 0.000 0.836 358 D CB -0.243 40.498 40.800 -0.098 0.000 0.951 358 D HN 0.268 nan 8.370 nan 0.000 0.449 359 K N 0.494 120.844 120.400 -0.084 0.000 2.103 359 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 359 K C 2.269 178.884 176.600 0.025 0.000 1.048 359 K CA 0.382 56.654 56.287 -0.025 0.000 0.930 359 K CB -0.702 31.811 32.500 0.022 0.000 0.716 359 K HN 0.168 nan 8.250 nan 0.000 0.444 360 V N 1.487 121.302 119.914 -0.165 0.000 2.358 360 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 360 V C 2.504 178.538 176.094 -0.100 0.000 1.047 360 V CA 1.816 63.902 62.300 -0.357 0.000 1.035 360 V CB -0.833 30.679 31.823 -0.517 0.000 0.658 360 V HN 0.265 nan 8.190 nan 0.000 0.452 361 A N 0.161 122.926 122.820 -0.092 0.000 1.902 361 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 361 A C 2.428 179.992 177.584 -0.033 0.000 1.181 361 A CA 2.150 54.147 52.037 -0.067 0.000 0.623 361 A CB -0.766 18.182 19.000 -0.088 0.000 0.818 361 A HN 0.560 nan 8.150 nan 0.000 0.443 362 A N -0.271 122.538 122.820 -0.018 0.000 1.877 362 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 362 A C 2.097 179.706 177.584 0.042 0.000 1.186 362 A CA 1.760 53.797 52.037 -0.000 0.000 0.620 362 A CB -0.331 18.666 19.000 -0.005 0.000 0.822 362 A HN 0.359 nan 8.150 nan 0.000 0.443 363 K N 0.249 120.716 120.400 0.111 0.000 2.057 363 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 363 K C 1.023 177.700 176.600 0.128 0.000 1.050 363 K CA 1.487 57.869 56.287 0.158 0.000 0.935 363 K CB -0.631 32.076 32.500 0.344 0.000 0.715 363 K HN 0.670 nan 8.250 nan 0.000 0.439 364 N N -0.001 118.771 118.700 0.121 0.000 2.270 364 N HA 0.052 4.792 4.740 -0.000 0.000 0.198 364 N C 0.176 175.701 175.510 0.025 0.000 1.117 364 N CA 0.210 53.307 53.050 0.077 0.000 0.845 364 N CB 0.636 39.172 38.487 0.082 0.000 0.980 364 N HN 0.227 nan 8.380 nan 0.000 0.486 365 G N 1.716 110.522 108.800 0.011 0.000 2.273 365 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.280 365 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.280 365 G C -0.139 174.743 174.900 -0.030 0.000 1.047 365 G CA -0.046 45.046 45.100 -0.012 0.000 0.869 365 G HN 0.196 nan 8.290 nan 0.000 0.502 366 I N -0.475 120.069 120.570 -0.043 0.000 2.428 366 I HA 0.411 4.581 4.170 -0.000 0.000 0.296 366 I C 0.663 176.727 176.117 -0.089 0.000 0.985 366 I CA -1.868 59.396 61.300 -0.060 0.000 1.260 366 I CB 1.571 39.530 38.000 -0.069 0.000 1.389 366 I HN 0.089 nan 8.210 nan 0.000 0.484 367 K N 5.561 125.903 120.400 -0.096 0.000 2.379 367 K HA 0.235 4.555 4.320 -0.000 0.000 0.284 367 K C -0.899 175.530 176.600 -0.284 0.000 1.044 367 K CA -0.084 56.078 56.287 -0.208 0.000 0.974 367 K CB 0.291 32.690 32.500 -0.168 0.000 0.962 367 K HN 0.449 nan 8.250 nan 0.000 0.474 368 L N 6.298 127.287 121.223 -0.389 0.000 2.295 368 L HA 0.526 4.866 4.340 -0.000 0.000 0.285 368 L C -1.395 175.194 176.870 -0.468 0.000 1.035 368 L CA -0.468 54.199 54.840 -0.289 0.000 0.806 368 L CB 0.355 42.313 42.059 -0.168 0.000 1.214 368 L HN 0.607 nan 8.230 nan 0.000 0.426 369 F N 3.155 123.118 119.950 0.021 0.000 2.507 369 F HA 0.381 4.908 4.527 -0.000 0.000 0.328 369 F C 0.282 176.135 175.800 0.089 0.000 1.136 369 F CA -0.619 57.428 58.000 0.079 0.000 0.930 369 F CB 1.698 40.762 39.000 0.106 0.000 1.166 369 F HN 0.467 nan 8.300 nan 0.000 0.436 370 E N 2.570 122.927 120.200 0.261 0.000 2.156 370 E HA 0.586 4.935 4.350 -0.000 0.000 0.279 370 E C -0.828 175.867 176.600 0.159 0.000 0.965 370 E CA -0.446 56.046 56.400 0.153 0.000 0.789 370 E CB 1.270 31.009 29.700 0.066 0.000 1.098 370 E HN 0.699 nan 8.360 nan 0.000 0.397 371 T N 1.363 115.907 114.554 -0.016 0.000 2.887 371 T HA 0.611 4.961 4.350 -0.000 0.000 0.292 371 T C -2.736 171.660 174.700 -0.506 0.000 1.087 371 T CA -2.343 59.500 62.100 -0.428 0.000 1.009 371 T CB 1.666 70.329 68.868 -0.341 0.000 1.203 371 T HN 0.193 nan 8.240 nan 0.000 0.518 372 P HA 0.308 nan 4.420 nan 0.000 0.274 372 P C -0.306 176.594 177.300 -0.667 0.000 1.246 372 P CA -0.392 62.288 63.100 -0.700 0.000 0.795 372 P CB 0.040 31.090 31.700 -1.083 0.000 1.006 373 T N 1.268 115.639 114.554 -0.305 0.000 2.793 373 T HA 0.438 4.788 4.350 -0.000 0.000 0.289 373 T C 0.446 175.154 174.700 0.015 0.000 0.956 373 T CA 0.756 62.798 62.100 -0.096 0.000 1.177 373 T CB -1.047 67.842 68.868 0.036 0.000 0.897 373 T HN 0.704 nan 8.240 nan 0.000 0.533 374 G N 3.063 111.954 108.800 0.153 0.000 1.873 374 G HA2 0.121 4.081 3.960 -0.000 0.000 0.199 374 G HA3 0.121 4.081 3.960 -0.000 0.000 0.199 374 G C 0.110 175.226 174.900 0.361 0.000 1.821 374 G CA -1.017 44.351 45.100 0.446 0.000 0.955 374 G HN 0.635 nan 8.290 nan 0.000 0.616 375 W N 1.769 123.034 121.300 -0.058 0.000 2.359 375 W HA -0.051 4.609 4.660 -0.000 0.000 0.275 375 W C 2.075 178.554 176.519 -0.067 0.000 1.217 375 W CA 1.145 58.454 57.345 -0.059 0.000 1.196 375 W CB -0.208 29.296 29.460 0.074 0.000 1.129 375 W HN 0.621 nan 8.180 nan 0.000 0.566 376 K N -0.734 119.737 120.400 0.117 0.000 2.211 376 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 376 K C 1.520 177.997 176.600 -0.206 0.000 1.050 376 K CA 1.228 57.454 56.287 -0.101 0.000 0.945 376 K CB -0.879 31.456 32.500 -0.276 0.000 0.732 376 K HN 0.061 nan 8.250 nan 0.000 0.451 377 F N -0.657 119.207 119.950 -0.142 0.000 2.502 377 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 377 F C 1.414 177.168 175.800 -0.076 0.000 1.111 377 F CA 0.679 58.587 58.000 -0.154 0.000 1.445 377 F CB -0.268 38.551 39.000 -0.301 0.000 1.081 377 F HN -0.036 nan 8.300 nan 0.000 0.558 378 F N -0.770 119.255 119.950 0.125 0.000 2.473 378 F HA 0.115 4.642 4.527 -0.000 0.000 0.294 378 F C 2.529 178.306 175.800 -0.038 0.000 1.103 378 F CA 0.292 58.295 58.000 0.006 0.000 1.442 378 F CB -0.685 38.287 39.000 -0.047 0.000 1.097 378 F HN -0.030 nan 8.300 nan 0.000 0.547 379 G N 0.607 109.496 108.800 0.149 0.000 2.446 379 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 379 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 379 G C 1.326 176.228 174.900 0.004 0.000 1.168 379 G CA 1.165 46.294 45.100 0.048 0.000 0.771 379 G HN 0.342 nan 8.290 nan 0.000 0.551 380 N N -0.054 118.645 118.700 -0.001 0.000 2.120 380 N HA -0.015 4.725 4.740 -0.000 0.000 0.188 380 N C 2.261 177.740 175.510 -0.051 0.000 1.024 380 N CA 0.606 53.642 53.050 -0.023 0.000 0.852 380 N CB -0.161 38.321 38.487 -0.009 0.000 1.003 380 N HN 0.243 nan 8.380 nan 0.000 0.424 381 L N 0.577 121.764 121.223 -0.059 0.000 2.083 381 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 381 L C 2.319 179.102 176.870 -0.145 0.000 1.083 381 L CA 0.980 55.708 54.840 -0.186 0.000 0.752 381 L CB -0.305 41.598 42.059 -0.260 0.000 0.899 381 L HN 0.266 nan 8.230 nan 0.000 0.433 382 M N -0.760 118.792 119.600 -0.080 0.000 2.123 382 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 382 M C 1.792 178.052 176.300 -0.067 0.000 1.069 382 M CA 1.405 56.658 55.300 -0.079 0.000 1.133 382 M CB -0.472 32.089 32.600 -0.065 0.000 1.356 382 M HN 0.142 nan 8.290 nan 0.000 0.415 383 D N 0.982 121.349 120.400 -0.055 0.000 2.149 383 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 383 D C 1.791 178.062 176.300 -0.049 0.000 0.990 383 D CA 1.512 55.483 54.000 -0.048 0.000 0.839 383 D CB -0.123 40.652 40.800 -0.043 0.000 0.948 383 D HN 0.338 nan 8.370 nan 0.000 0.460 384 A N -0.167 122.617 122.820 -0.060 0.000 2.206 384 A HA 0.329 4.649 4.320 -0.000 0.000 0.211 384 A C 1.751 179.303 177.584 -0.054 0.000 1.158 384 A CA 1.126 53.129 52.037 -0.056 0.000 0.761 384 A CB -0.336 18.623 19.000 -0.068 0.000 0.801 384 A HN 0.257 nan 8.150 nan 0.000 0.473 385 G N -1.051 107.711 108.800 -0.063 0.000 2.176 385 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 385 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 385 G C 0.601 175.470 174.900 -0.052 0.000 1.024 385 G CA 0.595 45.664 45.100 -0.053 0.000 0.755 385 G HN 0.504 nan 8.290 nan 0.000 0.507 386 L N -0.655 120.511 121.223 -0.094 0.000 2.416 386 L HA 0.437 4.777 4.340 -0.000 0.000 0.216 386 L C 1.535 178.376 176.870 -0.048 0.000 1.098 386 L CA 0.865 55.657 54.840 -0.080 0.000 0.840 386 L CB -0.081 41.812 42.059 -0.276 0.000 0.981 386 L HN 0.615 nan 8.230 nan 0.000 0.462 387 I N -3.614 116.886 120.570 -0.117 0.000 2.994 387 I HA 0.428 4.598 4.170 -0.000 0.000 0.306 387 I C -0.700 175.334 176.117 -0.137 0.000 1.195 387 I CA -0.752 60.488 61.300 -0.101 0.000 1.001 387 I CB 2.185 40.112 38.000 -0.122 0.000 1.244 387 I HN -0.070 nan 8.210 nan 0.000 0.437 388 N N 4.325 122.912 118.700 -0.188 0.000 2.217 388 N HA 0.295 5.035 4.740 -0.000 0.000 0.239 388 N C -1.248 174.107 175.510 -0.258 0.000 1.330 388 N CA -0.170 52.759 53.050 -0.201 0.000 0.838 388 N CB 1.263 39.632 38.487 -0.198 0.000 1.287 388 N HN 0.711 nan 8.380 nan 0.000 0.498 389 L N 1.252 122.317 121.223 -0.262 0.000 2.526 389 L HA 0.640 4.980 4.340 -0.000 0.000 0.263 389 L C -1.657 175.044 176.870 -0.282 0.000 0.943 389 L CA -0.452 54.260 54.840 -0.215 0.000 0.859 389 L CB 1.955 43.882 42.059 -0.221 0.000 1.313 389 L HN 0.398 nan 8.230 nan 0.000 0.406 390 C N 1.506 120.596 119.300 -0.349 0.000 3.284 390 C HA 1.006 5.466 4.460 -0.000 0.000 0.338 390 C C -0.240 174.460 174.990 -0.483 0.000 1.237 390 C CA 0.012 58.663 59.018 -0.612 0.000 1.276 390 C CB 1.085 28.070 27.740 -1.257 0.000 1.601 390 C HN 1.137 nan 8.230 nan 0.000 0.494 391 G N 0.801 109.330 108.800 -0.451 0.000 2.623 391 G HA2 0.730 4.690 3.960 -0.000 0.000 0.290 391 G HA3 0.730 4.690 3.960 -0.000 0.000 0.290 391 G C -2.176 172.675 174.900 -0.081 0.000 1.437 391 G CA -0.541 44.434 45.100 -0.209 0.000 0.798 391 G HN 0.969 nan 8.290 nan 0.000 0.488 392 E N -0.489 119.704 120.200 -0.012 0.000 2.383 392 E HA 0.213 4.563 4.350 -0.000 0.000 0.275 392 E C 0.302 176.912 176.600 0.016 0.000 0.918 392 E CA -0.845 55.585 56.400 0.050 0.000 0.764 392 E CB 2.622 32.406 29.700 0.141 0.000 1.252 392 E HN 0.578 nan 8.360 nan 0.000 0.449 393 E N 1.136 121.341 120.200 0.008 0.000 2.331 393 E HA -0.150 4.200 4.350 -0.000 0.000 0.199 393 E C 0.647 177.257 176.600 0.017 0.000 1.008 393 E CA 1.237 57.636 56.400 -0.001 0.000 0.843 393 E CB -0.046 29.749 29.700 0.158 0.000 0.761 393 E HN 0.377 nan 8.360 nan 0.000 0.507 394 S N -0.031 115.767 115.700 0.163 0.000 2.815 394 S HA 0.166 4.636 4.470 -0.000 0.000 0.254 394 S C -0.041 174.835 174.600 0.460 0.000 1.197 394 S CA -0.363 58.039 58.200 0.335 0.000 1.216 394 S CB -1.449 62.006 63.200 0.425 0.000 0.871 394 S HN 0.232 nan 8.310 nan 0.000 0.473 395 F N -0.799 119.298 119.950 0.244 0.000 3.093 395 F HA -0.146 4.381 4.527 -0.000 0.000 0.287 395 F C 0.915 176.860 175.800 0.242 0.000 0.882 395 F CA 0.632 58.772 58.000 0.234 0.000 1.063 395 F CB -1.721 37.420 39.000 0.236 0.000 1.097 395 F HN 0.598 nan 8.300 nan 0.000 0.604 396 G N 0.056 109.016 108.800 0.266 0.000 2.461 396 G HA2 0.723 4.683 3.960 -0.000 0.000 0.323 396 G HA3 0.723 4.683 3.960 -0.000 0.000 0.323 396 G C -0.743 174.188 174.900 0.051 0.000 1.229 396 G CA -0.378 44.818 45.100 0.161 0.000 0.941 396 G HN 0.094 nan 8.290 nan 0.000 0.477 397 T N -0.249 114.350 114.554 0.075 0.000 2.923 397 T HA 0.841 5.191 4.350 -0.000 0.000 0.311 397 T C -0.023 174.705 174.700 0.046 0.000 1.183 397 T CA -0.195 61.965 62.100 0.100 0.000 1.020 397 T CB 2.159 71.221 68.868 0.324 0.000 1.165 397 T HN 1.255 nan 8.240 nan 0.000 0.482 398 G N 0.178 108.893 108.800 -0.141 0.000 2.550 398 G HA2 0.686 4.646 3.960 -0.000 0.000 0.293 398 G HA3 0.686 4.646 3.960 -0.000 0.000 0.293 398 G C -1.433 173.096 174.900 -0.619 0.000 1.402 398 G CA -0.448 44.416 45.100 -0.393 0.000 0.784 398 G HN 0.787 nan 8.290 nan 0.000 0.482 399 S N -1.708 113.622 115.700 -0.617 0.000 2.720 399 S HA 0.478 4.948 4.470 -0.000 0.000 0.287 399 S C 0.342 174.823 174.600 -0.199 0.000 1.168 399 S CA -0.061 57.918 58.200 -0.367 0.000 0.832 399 S CB 1.384 64.346 63.200 -0.396 0.000 1.166 399 S HN 0.927 nan 8.310 nan 0.000 0.493 400 N N 1.308 119.957 118.700 -0.086 0.000 2.434 400 N HA -0.045 4.695 4.740 -0.000 0.000 0.196 400 N C 1.062 176.533 175.510 -0.064 0.000 1.183 400 N CA 0.413 53.407 53.050 -0.095 0.000 0.849 400 N CB -0.805 37.641 38.487 -0.068 0.000 0.992 400 N HN 0.784 nan 8.380 nan 0.000 0.460 401 H N -0.024 118.955 119.070 -0.153 0.000 2.521 401 H HA 0.134 4.690 4.556 -0.000 0.000 0.286 401 H C 0.908 176.200 175.328 -0.060 0.000 1.034 401 H CA 0.609 56.591 56.048 -0.110 0.000 1.278 401 H CB -0.026 29.646 29.762 -0.149 0.000 1.386 401 H HN 0.507 nan 8.280 nan 0.000 0.567 402 I N -3.211 117.065 120.570 -0.491 0.000 3.486 402 I HA 0.489 4.659 4.170 -0.000 0.000 0.316 402 I C -0.500 175.487 176.117 -0.217 0.000 1.230 402 I CA -1.395 59.725 61.300 -0.301 0.000 0.948 402 I CB 1.818 39.621 38.000 -0.327 0.000 1.340 402 I HN -0.312 nan 8.210 nan 0.000 0.474 403 R N 1.303 121.737 120.500 -0.110 0.000 2.772 403 R HA 0.531 4.871 4.340 -0.000 0.000 0.358 403 R C -1.064 175.265 176.300 0.048 0.000 1.143 403 R CA -0.191 55.885 56.100 -0.041 0.000 1.153 403 R CB 0.340 30.620 30.300 -0.033 0.000 1.329 403 R HN 0.631 nan 8.270 nan 0.000 0.615 404 E N 0.083 120.318 120.200 0.059 0.000 2.423 404 E HA 0.305 4.655 4.350 -0.000 0.000 0.280 404 E C -0.859 175.838 176.600 0.161 0.000 1.030 404 E CA -0.975 55.569 56.400 0.240 0.000 0.812 404 E CB 2.065 31.894 29.700 0.216 0.000 1.313 404 E HN -0.220 nan 8.360 nan 0.000 0.456 405 K N 0.757 121.335 120.400 0.296 0.000 2.219 405 K HA 0.196 4.516 4.320 -0.000 0.000 0.258 405 K C -0.580 176.138 176.600 0.197 0.000 1.008 405 K CA 0.129 56.428 56.287 0.021 0.000 0.928 405 K CB 0.316 32.685 32.500 -0.219 0.000 0.983 405 K HN 0.216 nan 8.250 nan 0.000 0.484 406 D N 0.981 121.513 120.400 0.220 0.000 2.469 406 D HA 0.287 4.927 4.640 -0.000 0.000 0.251 406 D C 0.741 177.336 176.300 0.492 0.000 1.173 406 D CA -0.336 53.898 54.000 0.391 0.000 0.882 406 D CB 1.253 42.377 40.800 0.540 0.000 1.129 406 D HN 0.506 nan 8.370 nan 0.000 0.549 407 G N 2.928 111.975 108.800 0.411 0.000 2.453 407 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 407 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 407 G C 1.456 176.649 174.900 0.487 0.000 1.201 407 G CA 0.491 45.847 45.100 0.427 0.000 0.784 407 G HN 0.521 nan 8.290 nan 0.000 0.545 408 I N -0.369 120.474 120.570 0.454 0.000 2.286 408 I HA -0.072 4.098 4.170 -0.000 0.000 0.248 408 I C 2.284 178.649 176.117 0.413 0.000 1.115 408 I CA 0.244 61.804 61.300 0.434 0.000 1.392 408 I CB -0.639 37.561 38.000 0.333 0.000 1.065 408 I HN 0.493 nan 8.210 nan 0.000 0.418 409 W N 1.400 122.912 121.300 0.353 0.000 2.338 409 W HA -0.278 4.382 4.660 -0.000 0.000 0.304 409 W C 2.487 179.154 176.519 0.247 0.000 1.212 409 W CA 2.375 59.890 57.345 0.284 0.000 1.264 409 W CB -0.257 29.394 29.460 0.319 0.000 1.142 409 W HN 0.128 nan 8.180 nan 0.000 0.512 410 A N -0.201 122.945 122.820 0.543 0.000 1.902 410 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 410 A C 1.988 179.714 177.584 0.236 0.000 1.181 410 A CA 2.355 54.616 52.037 0.372 0.000 0.623 410 A CB -1.194 18.135 19.000 0.548 0.000 0.818 410 A HN 0.215 nan 8.150 nan 0.000 0.443 411 V N 0.066 120.177 119.914 0.329 0.000 2.358 411 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 411 V C 2.525 178.692 176.094 0.120 0.000 1.047 411 V CA 1.849 64.406 62.300 0.428 0.000 1.035 411 V CB -0.785 31.407 31.823 0.615 0.000 0.658 411 V HN 0.563 nan 8.190 nan 0.000 0.452 412 L N 0.120 121.213 121.223 -0.218 0.000 2.131 412 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 412 L C 2.706 179.013 176.870 -0.939 0.000 1.092 412 L CA 1.334 55.703 54.840 -0.785 0.000 0.759 412 L CB -0.795 40.368 42.059 -1.493 0.000 0.903 412 L HN 0.361 nan 8.230 nan 0.000 0.435 413 A N -0.449 121.919 122.820 -0.753 0.000 1.858 413 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 413 A C 1.965 179.374 177.584 -0.291 0.000 1.190 413 A CA 1.492 53.206 52.037 -0.539 0.000 0.617 413 A CB -0.998 17.508 19.000 -0.822 0.000 0.827 413 A HN 0.480 nan 8.150 nan 0.000 0.443 414 W N 0.086 121.274 121.300 -0.188 0.000 2.355 414 W HA -0.073 4.587 4.660 -0.000 0.000 0.309 414 W C 2.066 178.477 176.519 -0.181 0.000 1.206 414 W CA 1.312 58.623 57.345 -0.057 0.000 1.284 414 W CB -0.283 29.298 29.460 0.202 0.000 1.145 414 W HN 0.227 nan 8.180 nan 0.000 0.502 415 L N -0.491 120.692 121.223 -0.067 0.000 2.261 415 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 415 L C 2.112 178.840 176.870 -0.236 0.000 1.114 415 L CA 1.265 55.947 54.840 -0.262 0.000 0.777 415 L CB -0.952 40.950 42.059 -0.262 0.000 0.910 415 L HN -0.044 nan 8.230 nan 0.000 0.440 416 T N -0.395 114.032 114.554 -0.211 0.000 2.942 416 T HA 0.006 4.356 4.350 -0.000 0.000 0.265 416 T C 1.916 176.579 174.700 -0.060 0.000 1.062 416 T CA 0.767 62.783 62.100 -0.139 0.000 1.139 416 T CB 0.049 68.882 68.868 -0.058 0.000 0.883 416 T HN 0.197 nan 8.240 nan 0.000 0.468 417 I N 0.796 121.298 120.570 -0.114 0.000 2.252 417 I HA -0.096 4.074 4.170 -0.000 0.000 0.245 417 I C 2.227 178.304 176.117 -0.066 0.000 1.102 417 I CA 1.137 62.364 61.300 -0.121 0.000 1.385 417 I CB -0.333 37.482 38.000 -0.309 0.000 1.064 417 I HN 0.197 nan 8.210 nan 0.000 0.414 418 L N 0.572 121.762 121.223 -0.054 0.000 2.046 418 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 418 L C 2.906 179.625 176.870 -0.251 0.000 1.077 418 L CA 1.350 56.121 54.840 -0.114 0.000 0.747 418 L CB -0.716 41.297 42.059 -0.077 0.000 0.896 418 L HN 0.250 nan 8.230 nan 0.000 0.432 419 A N -0.735 121.922 122.820 -0.272 0.000 1.865 419 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 419 A C 2.159 179.560 177.584 -0.305 0.000 1.191 419 A CA 1.675 53.511 52.037 -0.335 0.000 0.623 419 A CB -0.875 17.912 19.000 -0.357 0.000 0.826 419 A HN 0.423 nan 8.150 nan 0.000 0.444 420 H N -0.162 118.799 119.070 -0.182 0.000 2.321 420 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 420 H C 1.898 177.130 175.328 -0.160 0.000 1.087 420 H CA 1.656 57.614 56.048 -0.149 0.000 1.319 420 H CB -0.063 29.623 29.762 -0.126 0.000 1.379 420 H HN 0.346 nan 8.280 nan 0.000 0.501 421 K N 0.932 121.297 120.400 -0.058 0.000 2.147 421 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 421 K C 0.973 177.441 176.600 -0.220 0.000 1.049 421 K CA 0.715 56.928 56.287 -0.124 0.000 0.936 421 K CB -0.297 32.124 32.500 -0.132 0.000 0.722 421 K HN 0.441 nan 8.250 nan 0.000 0.446 422 N N 1.024 119.543 118.700 -0.300 0.000 2.320 422 N HA -0.007 4.733 4.740 -0.000 0.000 0.237 422 N C -0.366 174.994 175.510 -0.251 0.000 1.129 422 N CA -0.144 52.682 53.050 -0.372 0.000 0.854 422 N CB 0.357 38.467 38.487 -0.628 0.000 1.083 422 N HN -0.145 nan 8.380 nan 0.000 0.504 423 K N 2.148 122.437 120.400 -0.184 0.000 2.111 423 K HA 0.089 4.409 4.320 -0.000 0.000 0.249 423 K C -0.744 175.797 176.600 -0.099 0.000 1.157 423 K CA -0.140 56.063 56.287 -0.141 0.000 1.048 423 K CB -0.720 31.713 32.500 -0.112 0.000 1.498 423 K HN 0.131 nan 8.250 nan 0.000 0.344 424 N N 2.337 120.982 118.700 -0.093 0.000 2.441 424 N HA -0.174 4.566 4.740 -0.000 0.000 0.292 424 N C -1.113 174.366 175.510 -0.053 0.000 1.378 424 N CA 1.505 54.520 53.050 -0.057 0.000 0.651 424 N CB -0.998 37.465 38.487 -0.040 0.000 0.926 424 N HN 0.754 nan 8.380 nan 0.000 0.517 425 T N -2.915 111.607 114.554 -0.053 0.000 2.868 425 T HA 0.311 4.661 4.350 -0.000 0.000 0.306 425 T C 0.996 175.712 174.700 0.026 0.000 1.224 425 T CA -0.615 61.462 62.100 -0.037 0.000 1.012 425 T CB 1.829 70.624 68.868 -0.123 0.000 1.221 425 T HN 0.210 nan 8.240 nan 0.000 0.499 426 D N 0.365 120.829 120.400 0.106 0.000 2.315 426 D HA -0.157 4.483 4.640 -0.000 0.000 0.211 426 D C 0.789 177.248 176.300 0.265 0.000 0.977 426 D CA 1.543 55.646 54.000 0.171 0.000 0.894 426 D CB -0.405 40.499 40.800 0.174 0.000 0.910 426 D HN 0.905 nan 8.370 nan 0.000 0.490 427 H N -2.653 116.439 119.070 0.038 0.000 2.918 427 H HA 0.337 4.893 4.556 -0.000 0.000 0.303 427 H C -1.745 173.646 175.328 0.105 0.000 1.380 427 H CA -1.421 54.675 56.048 0.081 0.000 1.134 427 H CB 0.048 29.858 29.762 0.079 0.000 1.842 427 H HN -0.114 nan 8.280 nan 0.000 0.533 428 F N 2.700 122.622 119.950 -0.046 0.000 2.406 428 F HA 0.362 4.889 4.527 -0.000 0.000 0.358 428 F C -0.227 175.493 175.800 -0.134 0.000 1.161 428 F CA -0.520 57.427 58.000 -0.088 0.000 1.185 428 F CB -0.186 38.829 39.000 0.026 0.000 1.421 428 F HN 0.320 nan 8.300 nan 0.000 0.576 429 V N 5.055 124.727 119.914 -0.403 0.000 2.644 429 V HA 0.013 4.133 4.120 -0.000 0.000 0.305 429 V C 0.784 176.902 176.094 0.040 0.000 1.053 429 V CA 0.629 62.803 62.300 -0.209 0.000 1.186 429 V CB 0.049 31.715 31.823 -0.262 0.000 0.895 429 V HN 0.831 nan 8.190 nan 0.000 0.490 430 T N 1.703 116.370 114.554 0.188 0.000 2.936 430 T HA 0.498 4.848 4.350 -0.000 0.000 0.282 430 T C 1.052 175.850 174.700 0.163 0.000 1.003 430 T CA -0.562 61.702 62.100 0.274 0.000 1.005 430 T CB 1.660 70.652 68.868 0.206 0.000 1.097 430 T HN 0.119 nan 8.240 nan 0.000 0.532 431 V N 0.989 121.018 119.914 0.192 0.000 2.231 431 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 431 V C 2.849 178.873 176.094 -0.116 0.000 1.054 431 V CA 2.554 64.932 62.300 0.130 0.000 1.015 431 V CB -0.975 30.888 31.823 0.066 0.000 0.638 431 V HN 1.107 nan 8.190 nan 0.000 0.444 432 E N -0.292 119.689 120.200 -0.366 0.000 2.160 432 E HA -0.313 4.037 4.350 -0.000 0.000 0.195 432 E C 2.229 178.523 176.600 -0.510 0.000 0.991 432 E CA 1.768 57.588 56.400 -0.968 0.000 0.810 432 E CB -0.123 29.095 29.700 -0.803 0.000 0.742 432 E HN 0.736 nan 8.360 nan 0.000 0.466 433 E N 0.147 120.230 120.200 -0.196 0.000 2.072 433 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 433 E C 2.103 178.666 176.600 -0.061 0.000 0.985 433 E CA 1.106 57.462 56.400 -0.075 0.000 0.801 433 E CB -0.039 29.680 29.700 0.032 0.000 0.750 433 E HN 0.361 nan 8.360 nan 0.000 0.452 434 I N 0.320 120.877 120.570 -0.022 0.000 2.163 434 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 434 I C 2.337 178.443 176.117 -0.018 0.000 1.081 434 I CA 0.761 62.079 61.300 0.031 0.000 1.353 434 I CB -0.165 37.928 38.000 0.155 0.000 1.054 434 I HN 0.053 nan 8.210 nan 0.000 0.407 435 V N 0.412 120.259 119.914 -0.110 0.000 2.490 435 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 435 V C 2.449 178.161 176.094 -0.638 0.000 1.061 435 V CA 2.282 64.386 62.300 -0.326 0.000 1.064 435 V CB -1.025 30.578 31.823 -0.366 0.000 0.670 435 V HN 0.481 nan 8.190 nan 0.000 0.461 436 T N -0.773 113.503 114.554 -0.463 0.000 2.777 436 T HA -0.259 4.091 4.350 -0.000 0.000 0.266 436 T C 1.916 176.626 174.700 0.017 0.000 1.040 436 T CA 1.758 63.758 62.100 -0.167 0.000 1.141 436 T CB -0.187 68.673 68.868 -0.014 0.000 0.868 436 T HN 0.527 nan 8.240 nan 0.000 0.444 437 Q N -0.480 119.318 119.800 -0.005 0.000 2.167 437 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 437 Q C 2.066 178.103 176.000 0.062 0.000 0.970 437 Q CA 1.150 56.975 55.803 0.037 0.000 0.855 437 Q CB -0.220 28.538 28.738 0.032 0.000 0.911 437 Q HN 0.695 nan 8.270 nan 0.000 0.438 438 Y N -0.272 120.013 120.300 -0.025 0.000 2.097 438 Y HA -0.283 4.267 4.550 -0.000 0.000 0.282 438 Y C 1.581 177.626 175.900 0.242 0.000 1.152 438 Y CA 1.956 60.115 58.100 0.098 0.000 1.136 438 Y CB -0.590 37.838 38.460 -0.053 0.000 0.975 438 Y HN 0.228 nan 8.280 nan 0.000 0.498 439 W N 1.137 122.407 121.300 -0.051 0.000 2.342 439 W HA -0.209 4.451 4.660 0.000 0.000 0.297 439 W C 2.329 178.771 176.519 -0.129 0.000 1.213 439 W CA 1.630 58.898 57.345 -0.128 0.000 1.251 439 W CB -1.237 28.242 29.460 0.031 0.000 1.136 439 W HN 0.366 nan 8.180 nan 0.000 0.526 440 Q N -0.387 119.500 119.800 0.145 0.000 2.226 440 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 440 Q C 2.191 178.144 176.000 -0.078 0.000 0.975 440 Q CA 1.188 57.015 55.803 0.041 0.000 0.866 440 Q CB -0.325 28.436 28.738 0.039 0.000 0.915 440 Q HN 0.427 nan 8.270 nan 0.000 0.440 441 Q N -0.920 118.766 119.800 -0.191 0.000 2.259 441 Q HA 0.012 4.352 4.340 -0.000 0.000 0.201 441 Q C 0.821 176.440 176.000 -0.635 0.000 0.938 441 Q CA 0.668 56.197 55.803 -0.456 0.000 0.872 441 Q CB 0.511 28.854 28.738 -0.658 0.000 0.971 441 Q HN 0.354 nan 8.270 nan 0.000 0.494 442 F N -0.799 119.030 119.950 -0.201 0.000 2.706 442 F HA 0.344 4.871 4.527 -0.000 0.000 0.308 442 F C 0.981 176.825 175.800 0.073 0.000 1.095 442 F CA 0.505 58.431 58.000 -0.123 0.000 1.244 442 F CB 1.141 39.972 39.000 -0.282 0.000 1.063 442 F HN 0.086 nan 8.300 nan 0.000 0.582 443 G N 1.215 110.120 108.800 0.175 0.000 2.655 443 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.680 443 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.680 443 G C -1.010 174.014 174.900 0.206 0.000 1.302 443 G CA -1.010 44.192 45.100 0.169 0.000 0.872 443 G HN 0.321 nan 8.290 nan 0.000 0.540 444 R N -0.078 120.374 120.500 -0.080 0.000 2.599 444 R HA 0.600 4.940 4.340 -0.000 0.000 0.295 444 R C -0.824 175.412 176.300 -0.107 0.000 0.963 444 R CA -0.797 55.154 56.100 -0.249 0.000 0.883 444 R CB 0.884 30.589 30.300 -0.991 0.000 1.171 444 R HN 0.499 nan 8.270 nan 0.000 0.450 445 N N 2.903 121.631 118.700 0.047 0.000 2.816 445 N HA 0.183 4.923 4.740 -0.000 0.000 0.236 445 N C -1.497 174.056 175.510 0.071 0.000 1.076 445 N CA -0.372 52.792 53.050 0.190 0.000 0.902 445 N CB 0.548 39.182 38.487 0.245 0.000 1.149 445 N HN 0.391 nan 8.380 nan 0.000 0.506 446 Y N 1.324 121.706 120.300 0.137 0.000 2.712 446 Y HA 0.089 4.639 4.550 -0.000 0.000 0.333 446 Y C -0.076 175.982 175.900 0.264 0.000 1.225 446 Y CA 0.441 58.615 58.100 0.123 0.000 1.499 446 Y CB 0.241 38.723 38.460 0.036 0.000 1.288 446 Y HN 0.410 nan 8.280 nan 0.000 0.575 447 Y N 1.712 122.148 120.300 0.227 0.000 2.479 447 Y HA 0.532 5.082 4.550 -0.000 0.000 0.338 447 Y C -1.016 175.013 175.900 0.216 0.000 1.055 447 Y CA -0.801 57.422 58.100 0.204 0.000 1.023 447 Y CB 1.974 40.527 38.460 0.155 0.000 1.287 447 Y HN 0.568 nan 8.280 nan 0.000 0.447 448 S N 5.461 121.072 115.700 -0.150 0.000 2.541 448 S HA 0.643 5.113 4.470 -0.000 0.000 0.271 448 S C -1.969 172.522 174.600 -0.181 0.000 1.133 448 S CA -0.828 57.352 58.200 -0.033 0.000 0.876 448 S CB 1.444 64.755 63.200 0.185 0.000 1.105 448 S HN 0.841 nan 8.310 nan 0.000 0.470 449 R N 2.807 123.281 120.500 -0.043 0.000 2.599 449 R HA 0.487 4.827 4.340 -0.000 0.000 0.295 449 R C -1.788 174.612 176.300 0.167 0.000 0.963 449 R CA -0.537 55.483 56.100 -0.134 0.000 0.883 449 R CB 1.171 31.370 30.300 -0.169 0.000 1.171 449 R HN 0.790 nan 8.270 nan 0.000 0.450 450 Y N 2.745 122.920 120.300 -0.209 0.000 2.328 450 Y HA 0.250 4.800 4.550 -0.000 0.000 0.337 450 Y C -0.370 175.438 175.900 -0.152 0.000 0.966 450 Y CA -1.126 56.910 58.100 -0.106 0.000 1.136 450 Y CB 1.908 40.446 38.460 0.130 0.000 1.170 450 Y HN 0.433 nan 8.280 nan 0.000 0.470 451 D N 3.893 124.233 120.400 -0.099 0.000 2.256 451 D HA 0.176 4.816 4.640 -0.000 0.000 0.240 451 D C -1.196 175.003 176.300 -0.170 0.000 1.062 451 D CA -0.304 53.660 54.000 -0.059 0.000 0.832 451 D CB 1.698 42.467 40.800 -0.051 0.000 1.135 451 D HN 0.481 nan 8.370 nan 0.000 0.484 452 Y N 1.241 121.562 120.300 0.035 0.000 2.575 452 Y HA 0.203 4.753 4.550 -0.000 0.000 0.326 452 Y C 0.532 176.459 175.900 0.046 0.000 0.979 452 Y CA -0.695 57.434 58.100 0.048 0.000 1.286 452 Y CB 1.114 39.623 38.460 0.081 0.000 1.093 452 Y HN 0.095 nan 8.280 nan 0.000 0.501 453 E N 2.052 122.323 120.200 0.118 0.000 2.231 453 E HA 0.291 4.641 4.350 -0.000 0.000 0.277 453 E C -0.408 176.247 176.600 0.092 0.000 0.999 453 E CA -0.945 55.512 56.400 0.095 0.000 0.827 453 E CB 1.055 30.788 29.700 0.054 0.000 1.101 453 E HN 0.413 nan 8.360 nan 0.000 0.393 454 Q N -0.343 119.510 119.800 0.088 0.000 2.463 454 Q HA -0.172 4.168 4.340 -0.000 0.000 0.299 454 Q C -0.891 175.158 176.000 0.082 0.000 1.353 454 Q CA 0.516 56.365 55.803 0.076 0.000 0.828 454 Q CB -1.502 27.273 28.738 0.062 0.000 1.157 454 Q HN 0.437 nan 8.270 nan 0.000 0.436 455 V N -3.001 116.971 119.914 0.098 0.000 2.834 455 V HA 0.605 4.725 4.120 -0.000 0.000 0.313 455 V C 0.456 176.597 176.094 0.078 0.000 1.060 455 V CA -0.668 61.691 62.300 0.099 0.000 0.989 455 V CB 1.874 33.773 31.823 0.127 0.000 1.041 455 V HN 0.309 nan 8.190 nan 0.000 0.459 456 D N 2.124 122.567 120.400 0.071 0.000 2.586 456 D HA -0.034 4.606 4.640 -0.000 0.000 0.234 456 D C 1.342 177.676 176.300 0.056 0.000 1.132 456 D CA 1.350 55.386 54.000 0.060 0.000 0.860 456 D CB 1.275 42.111 40.800 0.061 0.000 1.159 456 D HN 0.821 nan 8.370 nan 0.000 0.490 457 S N 2.909 118.638 115.700 0.048 0.000 2.368 457 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 457 S C 1.965 176.583 174.600 0.031 0.000 1.029 457 S CA 1.235 59.459 58.200 0.041 0.000 0.988 457 S CB -0.335 62.888 63.200 0.038 0.000 0.838 457 S HN 0.625 nan 8.310 nan 0.000 0.462 458 A N 0.538 123.377 122.820 0.032 0.000 1.969 458 A HA 0.156 4.476 4.320 -0.000 0.000 0.218 458 A C 2.249 179.850 177.584 0.027 0.000 1.169 458 A CA 1.638 53.691 52.037 0.026 0.000 0.635 458 A CB -1.341 17.678 19.000 0.032 0.000 0.810 458 A HN 0.616 nan 8.150 nan 0.000 0.445 459 G N -1.046 107.785 108.800 0.053 0.000 2.511 459 G HA2 0.164 4.124 3.960 -0.000 0.000 0.217 459 G HA3 0.164 4.124 3.960 -0.000 0.000 0.217 459 G C 1.519 176.437 174.900 0.029 0.000 1.133 459 G CA 1.085 46.240 45.100 0.091 0.000 0.792 459 G HN 0.706 nan 8.290 nan 0.000 0.539 460 A N 1.010 123.836 122.820 0.009 0.000 1.935 460 A HA 0.081 4.401 4.320 -0.000 0.000 0.214 460 A C 2.077 179.618 177.584 -0.072 0.000 1.178 460 A CA 1.305 53.332 52.037 -0.017 0.000 0.640 460 A CB -0.362 18.654 19.000 0.026 0.000 0.825 460 A HN 0.428 nan 8.150 nan 0.000 0.447 461 N N -0.270 118.397 118.700 -0.055 0.000 2.142 461 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 461 N C 1.664 177.083 175.510 -0.151 0.000 1.023 461 N CA 1.270 54.277 53.050 -0.071 0.000 0.852 461 N CB -0.131 38.335 38.487 -0.034 0.000 0.998 461 N HN 0.438 nan 8.380 nan 0.000 0.424 462 K N 0.842 121.129 120.400 -0.189 0.000 2.097 462 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 462 K C 2.123 178.278 176.600 -0.742 0.000 1.049 462 K CA 0.900 56.993 56.287 -0.324 0.000 0.933 462 K CB -0.100 32.298 32.500 -0.171 0.000 0.717 462 K HN 0.256 nan 8.250 nan 0.000 0.442 463 M N 0.449 119.535 119.600 -0.856 0.000 2.086 463 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 463 M C 1.923 177.945 176.300 -0.463 0.000 1.067 463 M CA 1.508 56.246 55.300 -0.936 0.000 1.116 463 M CB 0.002 32.345 32.600 -0.428 0.000 1.348 463 M HN 0.102 nan 8.290 nan 0.000 0.407 464 M N 0.446 119.870 119.600 -0.293 0.000 2.065 464 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 464 M C 1.930 178.105 176.300 -0.207 0.000 1.069 464 M CA 1.753 56.935 55.300 -0.197 0.000 1.110 464 M CB -1.837 30.705 32.600 -0.096 0.000 1.328 464 M HN 0.246 nan 8.290 nan 0.000 0.405 465 E N -0.558 119.525 120.200 -0.195 0.000 2.097 465 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 465 E C 1.983 178.484 176.600 -0.164 0.000 1.000 465 E CA 1.229 57.530 56.400 -0.166 0.000 0.804 465 E CB -0.799 28.825 29.700 -0.127 0.000 0.740 465 E HN 0.655 nan 8.360 nan 0.000 0.454 466 H N 0.410 119.303 119.070 -0.295 0.000 2.421 466 H HA -0.057 4.499 4.556 -0.000 0.000 0.298 466 H C 2.246 177.473 175.328 -0.168 0.000 1.087 466 H CA 0.950 56.876 56.048 -0.203 0.000 1.330 466 H CB 0.026 29.661 29.762 -0.211 0.000 1.388 466 H HN 0.098 nan 8.280 nan 0.000 0.526 467 L N 0.823 121.818 121.223 -0.379 0.000 2.042 467 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 467 L C 2.851 179.516 176.870 -0.341 0.000 1.076 467 L CA 1.567 56.217 54.840 -0.317 0.000 0.749 467 L CB -0.412 41.513 42.059 -0.224 0.000 0.893 467 L HN 0.241 nan 8.230 nan 0.000 0.432 468 K N 0.125 120.179 120.400 -0.577 0.000 2.152 468 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 468 K C 1.833 177.958 176.600 -0.791 0.000 1.048 468 K CA 1.720 57.309 56.287 -1.164 0.000 0.933 468 K CB -0.066 32.021 32.500 -0.688 0.000 0.721 468 K HN 0.393 nan 8.250 nan 0.000 0.447 469 T N -1.772 112.563 114.554 -0.365 0.000 3.252 469 T HA 0.122 4.472 4.350 -0.000 0.000 0.250 469 T C 1.091 175.757 174.700 -0.057 0.000 1.123 469 T CA 0.119 62.126 62.100 -0.156 0.000 1.006 469 T CB 0.165 69.021 68.868 -0.020 0.000 0.992 469 T HN -0.005 nan 8.240 nan 0.000 0.547 470 K N -0.221 120.151 120.400 -0.046 0.000 2.402 470 K HA 0.362 4.682 4.320 -0.000 0.000 0.203 470 K C 1.288 178.223 176.600 0.560 0.000 1.077 470 K CA -0.247 56.190 56.287 0.251 0.000 1.051 470 K CB -0.098 32.527 32.500 0.208 0.000 0.907 470 K HN 0.478 nan 8.250 nan 0.000 0.554 471 F N 2.112 122.181 119.950 0.198 0.000 2.043 471 F HA -0.312 4.215 4.527 -0.000 0.000 0.297 471 F C 2.404 178.316 175.800 0.187 0.000 1.121 471 F CA 1.105 59.187 58.000 0.137 0.000 1.199 471 F CB -0.067 38.931 39.000 -0.004 0.000 0.968 471 F HN 0.144 nan 8.300 nan 0.000 0.478 472 Q N -0.507 119.504 119.800 0.352 0.000 2.061 472 Q HA -0.280 4.060 4.340 -0.000 0.000 0.204 472 Q C 1.981 178.112 176.000 0.217 0.000 0.984 472 Q CA 2.117 58.055 55.803 0.226 0.000 0.846 472 Q CB -0.609 28.230 28.738 0.169 0.000 0.902 472 Q HN 0.531 nan 8.270 nan 0.000 0.421 473 Y N 0.620 121.035 120.300 0.192 0.000 2.114 473 Y HA -0.329 4.221 4.550 -0.000 0.000 0.282 473 Y C 1.944 177.958 175.900 0.191 0.000 1.165 473 Y CA 1.796 59.997 58.100 0.168 0.000 1.148 473 Y CB -0.636 37.925 38.460 0.168 0.000 0.972 473 Y HN 0.121 nan 8.280 nan 0.000 0.504 474 F N 1.456 121.325 119.950 -0.134 0.000 2.075 474 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 474 F C 2.246 177.926 175.800 -0.199 0.000 1.113 474 F CA 2.349 60.224 58.000 -0.208 0.000 1.218 474 F CB -0.607 38.523 39.000 0.217 0.000 0.984 474 F HN 0.186 nan 8.300 nan 0.000 0.472 475 E N -0.484 119.685 120.200 -0.052 0.000 2.209 475 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 475 E C 2.021 178.500 176.600 -0.201 0.000 0.993 475 E CA 1.340 57.649 56.400 -0.152 0.000 0.819 475 E CB -0.335 29.365 29.700 -0.001 0.000 0.745 475 E HN 0.607 nan 8.360 nan 0.000 0.477 476 Q N 0.215 119.911 119.800 -0.174 0.000 2.389 476 Q HA 0.016 4.356 4.340 -0.000 0.000 0.204 476 Q C 2.081 177.962 176.000 -0.197 0.000 0.944 476 Q CA 0.294 56.014 55.803 -0.138 0.000 0.908 476 Q CB 0.173 28.877 28.738 -0.056 0.000 1.002 476 Q HN 0.273 nan 8.270 nan 0.000 0.493 477 L N -0.119 120.897 121.223 -0.345 0.000 2.083 477 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 477 L C 0.605 177.354 176.870 -0.202 0.000 1.083 477 L CA 0.855 55.512 54.840 -0.304 0.000 0.752 477 L CB 0.118 41.917 42.059 -0.432 0.000 0.899 477 L HN -0.059 nan 8.230 nan 0.000 0.433 478 K N -1.123 119.133 120.400 -0.241 0.000 2.588 478 K HA 0.135 4.455 4.320 -0.000 0.000 0.250 478 K C 0.194 176.709 176.600 -0.143 0.000 0.972 478 K CA -0.317 55.884 56.287 -0.143 0.000 0.821 478 K CB 1.349 33.793 32.500 -0.094 0.000 1.249 478 K HN -0.058 nan 8.250 nan 0.000 0.442 479 Q N 2.371 122.120 119.800 -0.084 0.000 2.084 479 Q HA -0.271 4.069 4.340 -0.000 0.000 0.215 479 Q C 1.292 177.253 176.000 -0.066 0.000 1.020 479 Q CA 2.783 58.547 55.803 -0.064 0.000 0.887 479 Q CB -0.378 28.340 28.738 -0.034 0.000 0.975 479 Q HN 0.913 nan 8.270 nan 0.000 0.413 480 G N 0.112 108.884 108.800 -0.046 0.000 2.470 480 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 480 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 480 G C 0.161 175.030 174.900 -0.052 0.000 1.121 480 G CA 0.273 45.356 45.100 -0.028 0.000 0.766 480 G HN 0.458 nan 8.290 nan 0.000 0.553 481 N N 0.513 119.125 118.700 -0.147 0.000 2.294 481 N HA 0.159 4.899 4.740 -0.000 0.000 0.248 481 N C -0.201 175.270 175.510 -0.066 0.000 1.242 481 N CA 0.771 53.668 53.050 -0.254 0.000 0.848 481 N CB 0.390 38.374 38.487 -0.837 0.000 1.084 481 N HN 0.128 nan 8.380 nan 0.000 0.457 482 K N 1.033 121.500 120.400 0.112 0.000 2.482 482 K HA 0.593 4.913 4.320 -0.000 0.000 0.251 482 K C -1.845 174.741 176.600 -0.024 0.000 0.936 482 K CA -0.608 55.702 56.287 0.038 0.000 0.791 482 K CB 1.679 34.162 32.500 -0.029 0.000 1.213 482 K HN 0.563 nan 8.250 nan 0.000 0.428 483 A N 3.258 125.935 122.820 -0.238 0.000 2.386 483 A HA 0.742 5.062 4.320 -0.000 0.000 0.311 483 A C -1.374 175.492 177.584 -1.196 0.000 1.068 483 A CA -0.428 51.113 52.037 -0.826 0.000 0.743 483 A CB 1.191 19.750 19.000 -0.734 0.000 1.258 483 A HN 0.931 nan 8.150 nan 0.000 0.429 484 D N 0.189 119.677 120.400 -1.520 0.000 2.769 484 D HA 0.229 4.869 4.640 -0.000 0.000 0.309 484 D C -1.499 174.473 176.300 -0.546 0.000 1.315 484 D CA -0.383 52.976 54.000 -1.068 0.000 0.780 484 D CB 0.365 40.919 40.800 -0.410 0.000 1.312 484 D HN 0.399 nan 8.370 nan 0.000 0.437 485 I N 0.689 121.215 120.570 -0.074 0.000 2.377 485 I HA 0.185 4.355 4.170 -0.000 0.000 0.293 485 I C -0.674 175.504 176.117 0.102 0.000 0.987 485 I CA -1.013 60.343 61.300 0.093 0.000 1.185 485 I CB 1.324 39.422 38.000 0.164 0.000 1.341 485 I HN 0.298 nan 8.210 nan 0.000 0.455 486 Y N 6.376 126.658 120.300 -0.029 0.000 2.637 486 Y HA 0.103 4.653 4.550 -0.000 0.000 0.350 486 Y C -0.391 175.523 175.900 0.023 0.000 1.069 486 Y CA -0.412 57.677 58.100 -0.018 0.000 1.397 486 Y CB -0.141 38.298 38.460 -0.035 0.000 1.163 486 Y HN 0.424 nan 8.280 nan 0.000 0.527 487 D N 6.230 126.554 120.400 -0.126 0.000 2.344 487 D HA 0.069 4.709 4.640 -0.000 0.000 0.239 487 D C -1.365 174.762 176.300 -0.288 0.000 1.064 487 D CA -0.231 53.668 54.000 -0.169 0.000 0.829 487 D CB 1.095 41.861 40.800 -0.056 0.000 1.129 487 D HN 0.535 nan 8.370 nan 0.000 0.506 488 Y N 2.250 122.255 120.300 -0.493 0.000 2.328 488 Y HA 0.358 4.908 4.550 -0.000 0.000 0.337 488 Y C -0.869 174.937 175.900 -0.157 0.000 1.008 488 Y CA -0.654 57.183 58.100 -0.439 0.000 1.129 488 Y CB 1.014 39.124 38.460 -0.583 0.000 1.185 488 Y HN 0.063 nan 8.280 nan 0.000 0.476 489 V N 6.840 126.355 119.914 -0.664 0.000 2.350 489 V HA 0.117 4.237 4.120 -0.000 0.000 0.276 489 V C -0.015 175.534 176.094 -0.909 0.000 1.028 489 V CA -1.039 60.931 62.300 -0.549 0.000 0.860 489 V CB 1.053 32.711 31.823 -0.275 0.000 0.990 489 V HN 0.755 nan 8.190 nan 0.000 0.453 490 D N 6.976 126.979 120.400 -0.661 0.000 2.488 490 D HA 0.069 4.709 4.640 -0.000 0.000 0.238 490 D C -1.820 174.366 176.300 -0.191 0.000 1.138 490 D CA -1.098 52.678 54.000 -0.373 0.000 0.873 490 D CB 2.133 42.915 40.800 -0.031 0.000 1.183 490 D HN 0.261 nan 8.370 nan 0.000 0.458 491 P HA 0.018 nan 4.420 nan 0.000 0.249 491 P C 0.809 178.115 177.300 0.010 0.000 1.229 491 P CA 0.126 63.235 63.100 0.015 0.000 0.788 491 P CB 0.647 32.435 31.700 0.146 0.000 1.072 492 V N 0.497 120.408 119.914 -0.005 0.000 2.988 492 V HA 0.010 4.130 4.120 -0.000 0.000 0.223 492 V C 1.222 177.308 176.094 -0.014 0.000 1.144 492 V CA 1.310 63.604 62.300 -0.010 0.000 1.242 492 V CB -0.874 30.939 31.823 -0.016 0.000 1.073 492 V HN 0.084 nan 8.190 nan 0.000 0.508 493 D N -0.529 119.863 120.400 -0.014 0.000 2.434 493 D HA 0.080 4.720 4.640 -0.000 0.000 0.232 493 D C 0.842 177.129 176.300 -0.022 0.000 1.166 493 D CA -0.153 53.838 54.000 -0.016 0.000 0.830 493 D CB 0.022 40.813 40.800 -0.014 0.000 0.960 493 D HN 0.304 nan 8.370 nan 0.000 0.497 494 Q N -0.585 119.192 119.800 -0.038 0.000 2.308 494 Q HA -0.232 4.108 4.340 -0.000 0.000 0.229 494 Q C -0.286 175.680 176.000 -0.057 0.000 0.902 494 Q CA 1.002 56.768 55.803 -0.061 0.000 1.244 494 Q CB -2.500 26.211 28.738 -0.046 0.000 1.810 494 Q HN 0.326 nan 8.270 nan 0.000 0.559 495 S N 0.162 115.845 115.700 -0.028 0.000 2.571 495 S HA 0.186 4.656 4.470 -0.000 0.000 0.297 495 S C 0.330 174.931 174.600 0.001 0.000 1.234 495 S CA -0.228 57.972 58.200 0.001 0.000 1.120 495 S CB 0.471 63.687 63.200 0.027 0.000 0.923 495 S HN 0.197 nan 8.310 nan 0.000 0.504 496 V N 4.244 124.151 119.914 -0.011 0.000 2.455 496 V HA 0.215 4.335 4.120 -0.000 0.000 0.273 496 V C 0.574 176.694 176.094 0.043 0.000 1.045 496 V CA -0.189 62.097 62.300 -0.022 0.000 0.976 496 V CB 1.303 33.106 31.823 -0.033 0.000 0.993 496 V HN 0.788 nan 8.190 nan 0.000 0.475 497 S N 5.838 121.591 115.700 0.088 0.000 2.532 497 S HA 0.450 4.920 4.470 -0.000 0.000 0.318 497 S C -0.111 174.507 174.600 0.030 0.000 1.083 497 S CA -0.797 57.478 58.200 0.125 0.000 1.131 497 S CB 0.075 63.447 63.200 0.287 0.000 0.973 497 S HN 0.731 nan 8.310 nan 0.000 0.468 498 K N 2.712 123.125 120.400 0.022 0.000 2.098 498 K HA 0.353 4.673 4.320 -0.000 0.000 0.244 498 K C 0.145 176.755 176.600 0.018 0.000 1.014 498 K CA -0.800 55.488 56.287 0.001 0.000 0.917 498 K CB 0.269 32.776 32.500 0.012 0.000 1.072 498 K HN 0.644 nan 8.250 nan 0.000 0.477 499 N N 2.118 120.834 118.700 0.027 0.000 2.696 499 N HA -0.162 4.578 4.740 -0.000 0.000 0.256 499 N C -0.607 174.946 175.510 0.070 0.000 1.031 499 N CA 0.558 53.641 53.050 0.055 0.000 0.730 499 N CB -0.550 37.967 38.487 0.050 0.000 0.894 499 N HN 0.548 nan 8.380 nan 0.000 0.544 500 Q N -0.212 119.640 119.800 0.086 0.000 2.211 500 Q HA 0.383 4.723 4.340 -0.000 0.000 0.231 500 Q C 1.278 177.407 176.000 0.217 0.000 0.865 500 Q CA 0.510 56.391 55.803 0.130 0.000 0.997 500 Q CB 0.655 29.437 28.738 0.073 0.000 1.101 500 Q HN 0.699 nan 8.270 nan 0.000 0.468 501 G N -0.804 108.102 108.800 0.177 0.000 2.392 501 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.677 501 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.677 501 G C -1.506 173.490 174.900 0.160 0.000 1.334 501 G CA -0.943 44.259 45.100 0.170 0.000 0.961 501 G HN -0.008 nan 8.290 nan 0.000 0.616 502 V N 1.103 121.119 119.914 0.170 0.000 2.459 502 V HA 0.763 4.883 4.120 -0.000 0.000 0.295 502 V C 0.356 176.482 176.094 0.054 0.000 1.029 502 V CA -0.672 61.697 62.300 0.115 0.000 0.874 502 V CB 1.721 33.650 31.823 0.178 0.000 0.985 502 V HN 0.769 nan 8.190 nan 0.000 0.438 503 R N 4.089 124.456 120.500 -0.223 0.000 2.480 503 R HA 0.577 4.917 4.340 -0.000 0.000 0.306 503 R C -1.706 174.241 176.300 -0.588 0.000 0.958 503 R CA -0.421 55.527 56.100 -0.254 0.000 0.861 503 R CB 2.021 32.188 30.300 -0.221 0.000 1.171 503 R HN 0.541 nan 8.270 nan 0.000 0.445 504 F N 2.375 122.158 119.950 -0.279 0.000 2.366 504 F HA 0.295 4.822 4.527 -0.000 0.000 0.366 504 F C -0.100 175.468 175.800 -0.386 0.000 1.096 504 F CA -0.862 56.716 58.000 -0.704 0.000 1.060 504 F CB 1.850 40.284 39.000 -0.945 0.000 1.282 504 F HN 0.128 nan 8.300 nan 0.000 0.450 505 V N 5.262 125.140 119.914 -0.061 0.000 2.495 505 V HA 0.575 4.695 4.120 -0.000 0.000 0.298 505 V C -0.818 175.410 176.094 0.225 0.000 1.031 505 V CA -0.673 61.718 62.300 0.152 0.000 0.871 505 V CB 0.996 32.863 31.823 0.073 0.000 0.988 505 V HN 0.447 nan 8.190 nan 0.000 0.432 506 F N 4.225 124.364 119.950 0.315 0.000 2.380 506 F HA 0.578 5.105 4.527 -0.000 0.000 0.321 506 F C 1.701 177.575 175.800 0.123 0.000 1.103 506 F CA 0.453 58.586 58.000 0.221 0.000 1.067 506 F CB 1.074 40.195 39.000 0.201 0.000 1.265 506 F HN 0.596 nan 8.300 nan 0.000 0.517 507 G N 0.272 109.230 108.800 0.263 0.000 2.440 507 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.218 507 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.218 507 G C 0.976 175.971 174.900 0.158 0.000 1.154 507 G CA 1.081 46.274 45.100 0.155 0.000 0.767 507 G HN 0.746 nan 8.290 nan 0.000 0.552 508 D N -0.464 120.059 120.400 0.204 0.000 2.338 508 D HA 0.262 4.902 4.640 -0.000 0.000 0.239 508 D C 1.673 178.086 176.300 0.189 0.000 1.095 508 D CA 0.857 54.979 54.000 0.203 0.000 0.888 508 D CB -0.505 40.439 40.800 0.240 0.000 0.899 508 D HN 0.559 nan 8.370 nan 0.000 0.525 509 G N -0.809 108.092 108.800 0.168 0.000 2.241 509 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 509 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 509 G C 0.471 175.498 174.900 0.212 0.000 0.998 509 G CA 0.139 45.305 45.100 0.110 0.000 0.621 509 G HN 0.443 nan 8.290 nan 0.000 0.519 510 S N 0.657 116.533 115.700 0.294 0.000 2.568 510 S HA 0.654 5.123 4.470 -0.000 0.000 0.282 510 S C 0.570 175.470 174.600 0.499 0.000 1.338 510 S CA 0.383 58.760 58.200 0.295 0.000 1.045 510 S CB 1.062 64.287 63.200 0.042 0.000 0.873 510 S HN 0.722 nan 8.310 nan 0.000 0.516 511 R N 0.643 121.393 120.500 0.417 0.000 2.752 511 R HA 0.636 4.976 4.340 -0.000 0.000 0.271 511 R C -1.393 175.101 176.300 0.322 0.000 1.026 511 R CA -0.675 55.668 56.100 0.405 0.000 0.901 511 R CB 1.282 31.714 30.300 0.220 0.000 1.243 511 R HN 0.491 nan 8.270 nan 0.000 0.463 512 I N 2.116 122.831 120.570 0.242 0.000 2.497 512 I HA 0.378 4.548 4.170 -0.000 0.000 0.284 512 I C -1.202 174.938 176.117 0.038 0.000 1.060 512 I CA -0.669 60.667 61.300 0.060 0.000 1.071 512 I CB 1.668 39.750 38.000 0.137 0.000 1.216 512 I HN 0.321 nan 8.210 nan 0.000 0.442 513 I N 6.222 126.702 120.570 -0.150 0.000 2.474 513 I HA 0.475 4.645 4.170 -0.000 0.000 0.294 513 I C -0.724 175.332 176.117 -0.102 0.000 1.005 513 I CA -0.170 61.140 61.300 0.016 0.000 1.113 513 I CB 1.410 39.430 38.000 0.033 0.000 1.289 513 I HN 0.203 nan 8.210 nan 0.000 0.436 514 F N 4.917 124.947 119.950 0.132 0.000 2.495 514 F HA 0.750 5.277 4.527 -0.000 0.000 0.327 514 F C 0.237 176.124 175.800 0.146 0.000 1.103 514 F CA -0.659 57.405 58.000 0.108 0.000 0.949 514 F CB 1.660 40.717 39.000 0.094 0.000 1.142 514 F HN 0.203 nan 8.300 nan 0.000 0.457 515 R N 1.867 122.559 120.500 0.319 0.000 2.668 515 R HA 0.600 4.940 4.340 -0.000 0.000 0.272 515 R C -2.020 174.399 176.300 0.197 0.000 1.019 515 R CA -1.208 55.047 56.100 0.259 0.000 0.894 515 R CB 2.519 33.007 30.300 0.315 0.000 1.228 515 R HN 0.372 nan 8.270 nan 0.000 0.460 516 L N 1.372 122.690 121.223 0.157 0.000 2.272 516 L HA 0.301 4.641 4.340 -0.000 0.000 0.289 516 L C 0.269 177.215 176.870 0.126 0.000 1.032 516 L CA 0.153 55.068 54.840 0.124 0.000 0.810 516 L CB 1.649 43.764 42.059 0.093 0.000 1.205 516 L HN 0.583 nan 8.230 nan 0.000 0.422 517 S N 2.215 117.989 115.700 0.125 0.000 2.552 517 S HA 0.222 4.691 4.470 -0.000 0.000 0.289 517 S C 1.142 175.804 174.600 0.103 0.000 1.304 517 S CA 0.281 58.556 58.200 0.124 0.000 1.063 517 S CB 0.463 63.735 63.200 0.120 0.000 0.848 517 S HN 0.847 nan 8.310 nan 0.000 0.499 518 G N 1.987 110.850 108.800 0.104 0.000 3.277 518 G HA2 0.249 4.209 3.960 -0.000 0.000 0.243 518 G HA3 0.249 4.209 3.960 -0.000 0.000 0.243 518 G C 0.258 175.199 174.900 0.069 0.000 1.107 518 G CA 0.216 45.365 45.100 0.083 0.000 0.771 518 G HN 0.861 nan 8.290 nan 0.000 0.544 519 T N -2.170 112.431 114.554 0.079 0.000 3.839 519 T HA 0.583 4.933 4.350 -0.000 0.000 0.230 519 T C 0.332 175.079 174.700 0.079 0.000 1.095 519 T CA -0.065 62.075 62.100 0.067 0.000 1.470 519 T CB 1.103 70.010 68.868 0.064 0.000 0.881 519 T HN 0.276 nan 8.240 nan 0.000 0.637 520 G N 0.247 109.090 108.800 0.072 0.000 2.788 520 G HA2 0.762 4.722 3.960 -0.000 0.000 0.293 520 G HA3 0.762 4.722 3.960 -0.000 0.000 0.293 520 G C -1.228 173.708 174.900 0.060 0.000 1.305 520 G CA -0.970 44.175 45.100 0.074 0.000 1.005 520 G HN 0.381 nan 8.290 nan 0.000 0.496 521 S N -1.916 113.820 115.700 0.060 0.000 2.564 521 S HA 0.601 5.071 4.470 -0.000 0.000 0.274 521 S C 0.655 175.285 174.600 0.049 0.000 1.124 521 S CA 0.186 58.416 58.200 0.050 0.000 0.869 521 S CB 1.922 65.151 63.200 0.049 0.000 1.105 521 S HN 1.378 nan 8.310 nan 0.000 0.472 522 V N 0.128 120.068 119.914 0.043 0.000 0.582 522 V HA -0.298 3.822 4.120 -0.000 0.000 0.092 522 V C 0.969 177.089 176.094 0.044 0.000 1.874 522 V CA 2.080 64.404 62.300 0.041 0.000 3.418 522 V CB -1.754 30.094 31.823 0.042 0.000 0.707 522 V HN 1.078 nan 8.190 nan 0.000 0.732 523 G N -1.435 107.394 108.800 0.050 0.000 2.788 523 G HA2 0.857 4.817 3.960 -0.000 0.000 0.293 523 G HA3 0.857 4.817 3.960 -0.000 0.000 0.293 523 G C -0.542 174.394 174.900 0.061 0.000 1.305 523 G CA 0.042 45.175 45.100 0.054 0.000 1.005 523 G HN 1.438 nan 8.290 nan 0.000 0.496 524 A N -0.851 122.007 122.820 0.064 0.000 2.271 524 A HA 0.778 5.098 4.320 -0.000 0.000 0.288 524 A C 0.039 177.676 177.584 0.089 0.000 1.094 524 A CA -0.206 51.874 52.037 0.072 0.000 0.828 524 A CB 0.858 19.896 19.000 0.064 0.000 1.091 524 A HN 0.636 nan 8.150 nan 0.000 0.493 525 T N 1.426 116.040 114.554 0.100 0.000 2.879 525 T HA 0.501 4.851 4.350 -0.000 0.000 0.290 525 T C -0.556 174.224 174.700 0.134 0.000 0.993 525 T CA 0.027 62.200 62.100 0.121 0.000 0.975 525 T CB 0.507 69.442 68.868 0.113 0.000 0.981 525 T HN 0.437 nan 8.240 nan 0.000 0.439 526 I N 3.649 124.321 120.570 0.170 0.000 2.359 526 I HA 0.489 4.659 4.170 -0.000 0.000 0.294 526 I C 0.293 176.524 176.117 0.191 0.000 0.987 526 I CA -0.744 60.659 61.300 0.171 0.000 1.225 526 I CB 1.234 39.316 38.000 0.137 0.000 1.366 526 I HN 0.316 nan 8.210 nan 0.000 0.466 527 R N 6.935 127.490 120.500 0.092 0.000 2.480 527 R HA 0.677 5.017 4.340 -0.000 0.000 0.306 527 R C -1.175 174.923 176.300 -0.337 0.000 0.958 527 R CA -0.723 55.306 56.100 -0.118 0.000 0.861 527 R CB 2.248 32.411 30.300 -0.227 0.000 1.171 527 R HN 0.524 nan 8.270 nan 0.000 0.445 528 I N 2.907 123.176 120.570 -0.502 0.000 2.404 528 I HA 0.340 4.510 4.170 -0.000 0.000 0.293 528 I C -0.867 174.566 176.117 -1.140 0.000 0.992 528 I CA -0.982 59.788 61.300 -0.883 0.000 1.149 528 I CB 1.187 38.572 38.000 -1.025 0.000 1.315 528 I HN 0.445 nan 8.210 nan 0.000 0.446 529 Y N 5.447 125.270 120.300 -0.795 0.000 2.334 529 Y HA 0.510 5.060 4.550 -0.000 0.000 0.336 529 Y C -0.550 174.927 175.900 -0.705 0.000 0.960 529 Y CA -0.658 57.060 58.100 -0.637 0.000 1.164 529 Y CB 0.954 39.237 38.460 -0.295 0.000 1.155 529 Y HN 0.312 nan 8.280 nan 0.000 0.478 530 F N 1.926 121.721 119.950 -0.259 0.000 2.420 530 F HA 0.461 4.988 4.527 -0.000 0.000 0.342 530 F C 0.101 175.887 175.800 -0.023 0.000 1.113 530 F CA -1.080 56.824 58.000 -0.160 0.000 1.059 530 F CB 1.620 40.470 39.000 -0.250 0.000 1.128 530 F HN 0.412 nan 8.300 nan 0.000 0.475 531 E N 2.559 122.935 120.200 0.294 0.000 2.263 531 E HA 0.365 4.715 4.350 -0.000 0.000 0.268 531 E C -1.699 175.066 176.600 0.275 0.000 0.884 531 E CA -0.905 55.704 56.400 0.348 0.000 0.766 531 E CB 1.632 31.573 29.700 0.401 0.000 1.196 531 E HN 0.557 nan 8.360 nan 0.000 0.416 532 Q N 4.456 124.425 119.800 0.282 0.000 2.325 532 Q HA 0.349 4.689 4.340 -0.000 0.000 0.270 532 Q C -2.051 174.152 176.000 0.338 0.000 1.020 532 Q CA -0.619 55.316 55.803 0.220 0.000 0.785 532 Q CB 0.943 29.744 28.738 0.105 0.000 1.259 532 Q HN 0.502 nan 8.270 nan 0.000 0.452 533 F N 3.373 123.405 119.950 0.135 0.000 2.394 533 F HA 0.574 5.101 4.527 -0.000 0.000 0.340 533 F C -0.631 175.249 175.800 0.134 0.000 1.105 533 F CA -0.356 57.721 58.000 0.129 0.000 1.124 533 F CB 1.109 40.167 39.000 0.097 0.000 1.145 533 F HN 0.489 nan 8.300 nan 0.000 0.505 534 E N 4.921 124.630 120.200 -0.817 0.000 2.260 534 E HA 0.085 4.435 4.350 -0.000 0.000 0.266 534 E C -0.216 175.838 176.600 -0.910 0.000 0.887 534 E CA -0.372 55.676 56.400 -0.586 0.000 0.777 534 E CB 1.948 31.651 29.700 0.005 0.000 1.205 534 E HN 0.729 nan 8.360 nan 0.000 0.414 535 Q N 1.589 120.987 119.800 -0.670 0.000 2.123 535 Q HA -0.091 4.249 4.340 -0.000 0.000 0.196 535 Q C 1.167 177.071 176.000 -0.160 0.000 0.958 535 Q CA 1.918 57.508 55.803 -0.356 0.000 0.841 535 Q CB 0.393 29.070 28.738 -0.101 0.000 0.915 535 Q HN 0.308 nan 8.270 nan 0.000 0.455 536 Q N -0.162 119.567 119.800 -0.118 0.000 2.263 536 Q HA 0.183 4.523 4.340 -0.000 0.000 0.196 536 Q C 0.135 176.102 176.000 -0.055 0.000 0.965 536 Q CA 0.714 56.480 55.803 -0.062 0.000 0.851 536 Q CB 0.421 29.135 28.738 -0.040 0.000 0.948 536 Q HN 0.340 nan 8.270 nan 0.000 0.516 537 Q N 1.666 121.443 119.800 -0.039 0.000 2.903 537 Q HA 0.049 4.389 4.340 -0.000 0.000 0.243 537 Q C 0.197 176.212 176.000 0.025 0.000 1.366 537 Q CA 0.084 55.859 55.803 -0.046 0.000 0.898 537 Q CB -0.600 28.188 28.738 0.083 0.000 1.718 537 Q HN 0.504 nan 8.270 nan 0.000 0.557 538 I N -2.080 118.462 120.570 -0.047 0.000 3.858 538 I HA 0.076 4.246 4.170 -0.000 0.000 0.325 538 I C 0.443 176.495 176.117 -0.108 0.000 1.403 538 I CA -0.015 61.218 61.300 -0.110 0.000 1.169 538 I CB 0.239 38.183 38.000 -0.094 0.000 1.077 538 I HN 0.242 nan 8.210 nan 0.000 0.403 539 Q N -0.272 119.477 119.800 -0.085 0.000 2.189 539 Q HA 0.275 4.615 4.340 -0.000 0.000 0.223 539 Q C 0.128 176.096 176.000 -0.053 0.000 0.828 539 Q CA -0.285 55.478 55.803 -0.066 0.000 0.967 539 Q CB 0.544 29.234 28.738 -0.080 0.000 1.139 539 Q HN 0.549 nan 8.270 nan 0.000 0.497 540 H N 0.964 120.067 119.070 0.054 0.000 2.703 540 H HA 0.087 4.643 4.556 -0.000 0.000 0.377 540 H C -0.163 175.165 175.328 0.000 0.000 1.392 540 H CA 0.496 56.498 56.048 -0.077 0.000 1.458 540 H CB 0.599 30.128 29.762 -0.389 0.000 1.529 540 H HN 0.160 nan 8.280 nan 0.000 0.619 541 E N 0.060 120.318 120.200 0.097 0.000 2.266 541 E HA 0.034 4.384 4.350 -0.000 0.000 0.277 541 E C 1.037 177.645 176.600 0.013 0.000 1.018 541 E CA -0.219 56.231 56.400 0.083 0.000 0.840 541 E CB 1.118 30.849 29.700 0.052 0.000 1.082 541 E HN 0.684 nan 8.360 nan 0.000 0.395 542 T N 2.321 116.944 114.554 0.115 0.000 2.665 542 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 542 T C 1.733 176.413 174.700 -0.033 0.000 1.035 542 T CA 1.910 64.076 62.100 0.111 0.000 1.151 542 T CB -0.370 68.643 68.868 0.241 0.000 0.862 542 T HN 0.514 nan 8.240 nan 0.000 0.438 543 A N 0.752 123.570 122.820 -0.002 0.000 1.948 543 A HA -0.078 4.242 4.320 -0.000 0.000 0.220 543 A C 2.675 180.194 177.584 -0.107 0.000 1.177 543 A CA 2.523 54.538 52.037 -0.036 0.000 0.636 543 A CB -1.491 17.506 19.000 -0.004 0.000 0.815 543 A HN 0.637 nan 8.150 nan 0.000 0.449 544 T N -0.222 114.255 114.554 -0.129 0.000 2.857 544 T HA 0.091 4.441 4.350 -0.000 0.000 0.266 544 T C 2.148 176.655 174.700 -0.322 0.000 1.048 544 T CA 1.353 63.345 62.100 -0.181 0.000 1.139 544 T CB -0.284 68.504 68.868 -0.133 0.000 0.874 544 T HN 0.589 nan 8.240 nan 0.000 0.455 545 A N 0.795 123.342 122.820 -0.456 0.000 2.016 545 A HA 0.219 4.539 4.320 -0.000 0.000 0.217 545 A C 2.061 179.416 177.584 -0.382 0.000 1.162 545 A CA 0.763 52.415 52.037 -0.643 0.000 0.662 545 A CB -0.462 17.814 19.000 -1.205 0.000 0.812 545 A HN 0.474 nan 8.150 nan 0.000 0.450 546 L N -1.079 119.989 121.223 -0.257 0.000 2.509 546 L HA 0.077 4.416 4.340 -0.000 0.000 0.222 546 L C 2.777 179.501 176.870 -0.242 0.000 1.123 546 L CA 0.391 55.113 54.840 -0.196 0.000 0.856 546 L CB -0.461 41.511 42.059 -0.146 0.000 0.985 546 L HN 0.400 nan 8.230 nan 0.000 0.456 547 A N 1.477 124.166 122.820 -0.219 0.000 1.882 547 A HA -0.343 3.977 4.320 -0.000 0.000 0.220 547 A C 2.000 179.479 177.584 -0.175 0.000 1.253 547 A CA 2.736 54.660 52.037 -0.188 0.000 0.664 547 A CB -0.782 18.127 19.000 -0.153 0.000 0.838 547 A HN 0.443 nan 8.150 nan 0.000 0.460 548 N N -0.453 118.155 118.700 -0.153 0.000 2.007 548 N HA -0.141 4.599 4.740 -0.000 0.000 0.197 548 N C 1.672 177.128 175.510 -0.090 0.000 1.050 548 N CA 1.673 54.658 53.050 -0.108 0.000 0.856 548 N CB -0.456 37.965 38.487 -0.110 0.000 1.050 548 N HN 0.572 nan 8.380 nan 0.000 0.423 549 I N 0.481 120.982 120.570 -0.114 0.000 2.335 549 I HA -0.199 3.971 4.170 -0.000 0.000 0.251 549 I C 1.579 177.627 176.117 -0.114 0.000 1.129 549 I CA 1.036 62.314 61.300 -0.037 0.000 1.402 549 I CB 0.021 38.005 38.000 -0.027 0.000 1.069 549 I HN 0.161 nan 8.210 nan 0.000 0.424 550 I N 0.543 120.877 120.570 -0.395 0.000 2.315 550 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 550 I C 2.503 178.414 176.117 -0.343 0.000 1.117 550 I CA 1.175 61.981 61.300 -0.823 0.000 1.404 550 I CB -0.380 37.091 38.000 -0.882 0.000 1.071 550 I HN 0.203 nan 8.210 nan 0.000 0.419 551 K N 1.034 121.334 120.400 -0.167 0.000 2.057 551 K HA -0.223 4.097 4.320 -0.000 0.000 0.206 551 K C 2.212 178.831 176.600 0.032 0.000 1.050 551 K CA 1.336 57.595 56.287 -0.047 0.000 0.935 551 K CB -0.073 32.409 32.500 -0.030 0.000 0.715 551 K HN 0.094 nan 8.250 nan 0.000 0.439 552 L N 0.859 122.123 121.223 0.068 0.000 2.046 552 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 552 L C 2.107 179.078 176.870 0.168 0.000 1.077 552 L CA 2.296 57.230 54.840 0.156 0.000 0.747 552 L CB -1.062 41.147 42.059 0.250 0.000 0.896 552 L HN 0.280 nan 8.230 nan 0.000 0.432 553 G N -0.270 108.655 108.800 0.208 0.000 2.446 553 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 553 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 553 G C 1.586 176.684 174.900 0.331 0.000 1.168 553 G CA 1.165 46.470 45.100 0.342 0.000 0.771 553 G HN 0.454 nan 8.290 nan 0.000 0.551 554 L N 0.040 121.407 121.223 0.241 0.000 2.141 554 L HA -0.020 4.320 4.340 -0.000 0.000 0.209 554 L C 2.849 179.816 176.870 0.162 0.000 1.094 554 L CA 1.052 56.023 54.840 0.217 0.000 0.763 554 L CB -0.408 41.753 42.059 0.169 0.000 0.908 554 L HN 0.315 nan 8.230 nan 0.000 0.437 555 E N 0.815 121.090 120.200 0.126 0.000 2.016 555 E HA -0.197 4.153 4.350 -0.000 0.000 0.190 555 E C 2.224 178.883 176.600 0.098 0.000 0.985 555 E CA 1.560 58.017 56.400 0.095 0.000 0.802 555 E CB -0.181 29.567 29.700 0.079 0.000 0.762 555 E HN 0.598 nan 8.360 nan 0.000 0.448 556 I N -0.087 120.523 120.570 0.068 0.000 2.614 556 I HA -0.143 4.027 4.170 -0.000 0.000 0.258 556 I C 2.305 178.391 176.117 -0.050 0.000 1.189 556 I CA 1.350 62.638 61.300 -0.021 0.000 1.462 556 I CB -0.331 37.595 38.000 -0.124 0.000 1.092 556 I HN -0.013 nan 8.210 nan 0.000 0.442 557 S N 0.329 116.059 115.700 0.050 0.000 2.439 557 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 557 S C 1.049 175.868 174.600 0.366 0.000 1.029 557 S CA 0.674 58.917 58.200 0.072 0.000 0.946 557 S CB -0.351 62.926 63.200 0.129 0.000 0.797 557 S HN 0.556 nan 8.310 nan 0.000 0.504 558 D N 0.308 120.874 120.400 0.277 0.000 2.723 558 D HA -0.178 4.462 4.640 -0.000 0.000 0.236 558 D C 0.278 176.711 176.300 0.222 0.000 1.138 558 D CA 0.706 54.821 54.000 0.191 0.000 0.676 558 D CB -1.943 38.931 40.800 0.122 0.000 1.069 558 D HN 0.595 nan 8.370 nan 0.000 0.430 559 I N -0.537 120.152 120.570 0.198 0.000 2.264 559 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 559 I C 2.169 178.322 176.117 0.060 0.000 1.111 559 I CA 1.745 63.115 61.300 0.118 0.000 1.382 559 I CB -0.163 37.785 38.000 -0.087 0.000 1.060 559 I HN 0.365 nan 8.210 nan 0.000 0.418 560 A N -0.262 122.589 122.820 0.053 0.000 1.972 560 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 560 A C 2.216 179.794 177.584 -0.010 0.000 1.169 560 A CA 1.537 53.602 52.037 0.046 0.000 0.635 560 A CB -0.500 18.534 19.000 0.057 0.000 0.810 560 A HN 0.598 nan 8.150 nan 0.000 0.446 561 Q N -1.899 117.842 119.800 -0.099 0.000 2.187 561 Q HA -0.039 4.301 4.340 -0.000 0.000 0.199 561 Q C 1.573 177.427 176.000 -0.244 0.000 0.957 561 Q CA 1.067 56.733 55.803 -0.228 0.000 0.857 561 Q CB -0.129 28.363 28.738 -0.410 0.000 0.929 561 Q HN 0.728 nan 8.270 nan 0.000 0.453 562 F N -0.004 119.925 119.950 -0.036 0.000 2.293 562 F HA -0.080 4.447 4.527 -0.000 0.000 0.297 562 F C 2.543 178.332 175.800 -0.018 0.000 1.089 562 F CA 1.477 59.457 58.000 -0.034 0.000 1.377 562 F CB -0.178 38.800 39.000 -0.037 0.000 1.051 562 F HN 0.110 nan 8.300 nan 0.000 0.511 563 T N -4.670 109.975 114.554 0.151 0.000 2.990 563 T HA 0.401 4.751 4.350 -0.000 0.000 0.249 563 T C 1.661 176.413 174.700 0.087 0.000 1.039 563 T CA 0.522 62.686 62.100 0.106 0.000 1.036 563 T CB 0.281 69.196 68.868 0.079 0.000 0.994 563 T HN 0.339 nan 8.240 nan 0.000 0.489 564 G N 2.117 110.957 108.800 0.066 0.000 2.149 564 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.235 564 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.235 564 G C -0.164 174.784 174.900 0.080 0.000 1.018 564 G CA -0.401 44.731 45.100 0.054 0.000 0.728 564 G HN 0.604 nan 8.290 nan 0.000 0.508 565 R N -0.176 120.396 120.500 0.121 0.000 2.409 565 R HA 0.355 4.695 4.340 -0.000 0.000 0.313 565 R C 0.674 177.087 176.300 0.189 0.000 0.953 565 R CA -0.689 55.517 56.100 0.177 0.000 0.849 565 R CB 0.631 31.126 30.300 0.326 0.000 1.171 565 R HN 0.356 nan 8.270 nan 0.000 0.458 566 N N 0.719 119.497 118.700 0.128 0.000 2.412 566 N HA -0.025 4.715 4.740 -0.000 0.000 0.184 566 N C -0.489 175.100 175.510 0.131 0.000 1.101 566 N CA 0.425 53.542 53.050 0.112 0.000 0.881 566 N CB 0.562 39.084 38.487 0.059 0.000 0.969 566 N HN 0.389 nan 8.380 nan 0.000 0.459 567 E N -0.039 120.242 120.200 0.134 0.000 2.392 567 E HA 0.300 4.650 4.350 -0.000 0.000 0.279 567 E C -2.637 173.899 176.600 -0.107 0.000 0.964 567 E CA -1.722 54.698 56.400 0.033 0.000 0.777 567 E CB 2.008 31.674 29.700 -0.056 0.000 1.249 567 E HN -0.114 nan 8.360 nan 0.000 0.449 568 P HA 0.164 nan 4.420 nan 0.000 0.274 568 P C 0.403 177.372 177.300 -0.551 0.000 1.246 568 P CA -0.156 62.298 63.100 -1.076 0.000 0.795 568 P CB 0.841 31.869 31.700 -1.120 0.000 1.006 569 T N -0.766 113.506 114.554 -0.470 0.000 2.857 569 T HA 0.063 4.413 4.350 -0.000 0.000 0.266 569 T C 0.792 175.348 174.700 -0.239 0.000 1.048 569 T CA 0.999 62.954 62.100 -0.242 0.000 1.139 569 T CB -0.097 68.688 68.868 -0.140 0.000 0.874 569 T HN 0.260 nan 8.240 nan 0.000 0.455 570 V N 0.915 120.659 119.914 -0.282 0.000 2.888 570 V HA 0.502 4.622 4.120 -0.000 0.000 0.309 570 V C -1.079 174.847 176.094 -0.279 0.000 1.114 570 V CA -1.059 61.100 62.300 -0.236 0.000 0.940 570 V CB 2.571 34.298 31.823 -0.159 0.000 1.021 570 V HN 0.192 nan 8.190 nan 0.000 0.426 571 I N 3.647 124.066 120.570 -0.251 0.000 2.447 571 I HA 0.664 4.834 4.170 -0.000 0.000 0.287 571 I C 0.105 176.186 176.117 -0.060 0.000 1.023 571 I CA -0.137 61.028 61.300 -0.226 0.000 1.083 571 I CB 2.272 40.057 38.000 -0.357 0.000 1.245 571 I HN 0.889 nan 8.210 nan 0.000 0.434 572 T N 0.000 114.581 114.554 0.045 0.000 3.816 572 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 572 T CA 0.000 62.171 62.100 0.118 0.000 1.349 572 T CB 0.000 68.963 68.868 0.158 0.000 0.612 572 T HN 0.000 nan 8.240 nan 0.000 0.658