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 1vle_1_W DATA FIRST_RESID 1 DATA SEQUENCE MGEVVRLTNS STGGPVFVYV KDGKIIRMTP MDFDDAVDAP SWKIEARGKT DATA SEQUENCE FTPPRKTSIA PYTAGFKSMI YSDLRIPYPM KRKSFDPNGE RNPQLRGAGL DATA SEQUENCE SKQDPWSDYE RISWDEATDI VVAEINRIKH AYGPSAILST PSSHHMWGNV DATA SEQUENCE GYRHSTYFRF MNMMGFTYAD HNPDSWEGWH WGGMHMWGFS WRLGNPEQYD DATA SEQUENCE LLEDGLKHAE MIVFWSSDPE TNSGIYAGFE SNIRRQWLKD LGVDFVFIDP DATA SEQUENCE HMNHTARLVA DKWFSPKIGT DHALSFAIAY TWLKEDSYDK EYVAANAHGF DATA SEQUENCE EEWADYVLGK TDGTPKTCEW AEEESGVPAC EIRALARQWA KKNTYLAAGG DATA SEQUENCE LGGWGGACRA SHGIEWARGM IALATMQGMG KPGSNMWSTT QGVPLDYEFY DATA SEQUENCE FPGYAEGGIS GDCENSAAGF KFAWRMFDGK TTFPSPSNLN TSAGQHIPRL DATA SEQUENCE KIPECIMGGK FQWSGKGFAG GDISHQLHQY EYPAPGYSKI KMFWKYGGPH DATA SEQUENCE LGTMTATNRY AKMYTHDSLE FVVSQSIWFE GEVPFADIIL PACTNFERWD DATA SEQUENCE ISEFANCSGY IPDNYQLCNH RVISLQAKCI EPVGESMSDY EIYRLFAKKL DATA SEQUENCE NIEEMFSEGK DELAWCEQYF NATDMPKYMT WDEFFKKGYF VVPDNPNRKK DATA SEQUENCE TVALRWFAEG REKDTPDWGP RLNNQVCRKG LQTTTGKVEF IATSLKNFEE DATA SEQUENCE QGYIDEHRPS MHTYVPAWES QKHSPLAVKY PLGMLSPHPR FSMHTMGDGK DATA SEQUENCE NSYMNYIKDH RVEVDGYKYW IMRVNSIDAE ARGIKNGDLI RAYNDRGSVI DATA SEQUENCE LAAQVTECLQ PGTVHSYESC AVYDPLGTAG KSADRGGCIN ILTPDRYISK DATA SEQUENCE YACGMANNTA LVEIEKWDGD KYEIY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.021 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 G N -0.854 107.959 108.800 0.022 0.000 2.450 2 G HA2 0.588 4.547 3.960 -0.000 0.000 0.273 2 G HA3 0.588 4.547 3.960 -0.000 0.000 0.273 2 G C -1.601 173.314 174.900 0.024 0.000 1.221 2 G CA -0.680 44.434 45.100 0.023 0.000 0.900 2 G HN -0.060 nan 8.290 nan 0.000 0.483 3 E N -0.620 119.596 120.200 0.026 0.000 2.254 3 E HA 0.565 4.915 4.350 -0.000 0.000 0.261 3 E C -0.295 176.328 176.600 0.039 0.000 1.051 3 E CA -0.654 55.763 56.400 0.029 0.000 0.902 3 E CB 2.081 31.796 29.700 0.023 0.000 1.168 3 E HN 0.249 nan 8.360 nan 0.000 0.423 4 V N 1.408 121.351 119.914 0.048 0.000 2.498 4 V HA 0.202 4.322 4.120 -0.000 0.000 0.279 4 V C 0.123 176.250 176.094 0.056 0.000 1.048 4 V CA -0.488 61.857 62.300 0.074 0.000 0.967 4 V CB 1.295 33.186 31.823 0.113 0.000 0.988 4 V HN 0.301 nan 8.190 nan 0.000 0.473 5 V N 5.380 125.314 119.914 0.035 0.000 2.628 5 V HA 0.505 4.625 4.120 -0.000 0.000 0.306 5 V C 0.109 176.127 176.094 -0.128 0.000 1.045 5 V CA -0.923 61.359 62.300 -0.030 0.000 0.905 5 V CB 1.972 33.782 31.823 -0.021 0.000 0.997 5 V HN 0.842 nan 8.190 nan 0.000 0.436 6 R N 4.112 124.456 120.500 -0.260 0.000 2.198 6 R HA 0.622 4.962 4.340 -0.000 0.000 0.339 6 R C -1.111 174.994 176.300 -0.325 0.000 1.020 6 R CA -0.285 55.494 56.100 -0.536 0.000 0.864 6 R CB 0.418 30.263 30.300 -0.759 0.000 1.105 6 R HN 0.688 nan 8.270 nan 0.000 0.463 7 L N 1.969 123.058 121.223 -0.223 0.000 2.421 7 L HA 0.595 4.934 4.340 -0.000 0.000 0.267 7 L C 0.388 177.256 176.870 -0.004 0.000 1.036 7 L CA -0.990 53.788 54.840 -0.104 0.000 0.829 7 L CB 1.993 44.011 42.059 -0.068 0.000 1.437 7 L HN 0.659 nan 8.230 nan 0.000 0.488 8 T N -2.191 112.364 114.554 0.002 0.000 2.907 8 T HA 0.591 4.941 4.350 -0.000 0.000 0.292 8 T C -0.641 174.027 174.700 -0.053 0.000 1.043 8 T CA -0.693 61.431 62.100 0.041 0.000 1.003 8 T CB 2.498 71.407 68.868 0.068 0.000 1.084 8 T HN 0.597 nan 8.240 nan 0.000 0.483 9 N N -0.586 118.058 118.700 -0.094 0.000 3.395 9 N HA 0.531 5.271 4.740 -0.000 0.000 0.293 9 N C -1.620 173.769 175.510 -0.201 0.000 1.489 9 N CA -0.388 52.529 53.050 -0.221 0.000 0.871 9 N CB 1.661 39.840 38.487 -0.515 0.000 1.649 9 N HN 0.824 nan 8.380 nan 0.000 0.501 10 S N -1.116 114.429 115.700 -0.258 0.000 2.757 10 S HA 0.840 5.310 4.470 -0.000 0.000 0.285 10 S C -1.716 172.788 174.600 -0.161 0.000 1.196 10 S CA 0.281 58.394 58.200 -0.145 0.000 0.856 10 S CB 0.635 63.880 63.200 0.074 0.000 1.212 10 S HN 1.041 nan 8.310 nan 0.000 0.516 11 S N -0.546 115.026 115.700 -0.212 0.000 2.656 11 S HA 0.316 4.786 4.470 -0.000 0.000 0.265 11 S C 0.456 174.771 174.600 -0.475 0.000 1.132 11 S CA 0.211 58.301 58.200 -0.184 0.000 0.819 11 S CB 0.200 63.269 63.200 -0.217 0.000 1.119 11 S HN 1.346 nan 8.310 nan 0.000 0.476 12 T N -1.994 112.462 114.554 -0.163 0.000 3.155 12 T HA 0.237 4.587 4.350 -0.000 0.000 0.264 12 T C 1.253 176.012 174.700 0.098 0.000 1.160 12 T CA 1.022 63.066 62.100 -0.094 0.000 1.075 12 T CB -0.786 68.266 68.868 0.307 0.000 0.921 12 T HN 1.264 nan 8.240 nan 0.000 0.533 13 G N -0.205 108.606 108.800 0.018 0.000 3.453 13 G HA2 0.571 4.531 3.960 -0.000 0.000 0.263 13 G HA3 0.571 4.531 3.960 -0.000 0.000 0.263 13 G C 0.575 175.374 174.900 -0.169 0.000 1.060 13 G CA -0.118 44.950 45.100 -0.053 0.000 0.793 13 G HN 0.982 nan 8.290 nan 0.000 0.532 14 G N -0.193 108.463 108.800 -0.239 0.000 2.555 14 G HA2 0.053 4.013 3.960 -0.000 0.000 0.686 14 G HA3 0.053 4.013 3.960 -0.000 0.000 0.686 14 G C -3.258 171.315 174.900 -0.545 0.000 1.275 14 G CA -0.941 43.893 45.100 -0.445 0.000 0.871 14 G HN 0.145 nan 8.290 nan 0.000 0.603 15 P HA 0.480 nan 4.420 nan 0.000 0.269 15 P C 0.124 177.171 177.300 -0.423 0.000 1.215 15 P CA 0.077 62.858 63.100 -0.531 0.000 0.780 15 P CB 1.273 32.602 31.700 -0.618 0.000 0.898 16 V N -1.125 118.602 119.914 -0.311 0.000 3.087 16 V HA 0.556 4.676 4.120 -0.000 0.000 0.306 16 V C -1.205 174.795 176.094 -0.157 0.000 1.187 16 V CA -1.037 61.136 62.300 -0.213 0.000 0.999 16 V CB 1.844 33.663 31.823 -0.007 0.000 1.049 16 V HN 0.290 nan 8.190 nan 0.000 0.431 17 F N 1.535 121.455 119.950 -0.051 0.000 2.410 17 F HA 0.709 5.236 4.527 -0.000 0.000 0.349 17 F C 0.051 175.846 175.800 -0.010 0.000 1.117 17 F CA -0.947 56.997 58.000 -0.094 0.000 1.104 17 F CB 2.119 41.061 39.000 -0.098 0.000 1.122 17 F HN 0.385 nan 8.300 nan 0.000 0.483 18 V N 4.887 124.885 119.914 0.140 0.000 2.357 18 V HA 0.200 4.319 4.120 -0.000 0.000 0.284 18 V C -0.825 175.268 176.094 -0.003 0.000 1.018 18 V CA -0.962 61.434 62.300 0.161 0.000 0.841 18 V CB 0.837 32.790 31.823 0.218 0.000 0.991 18 V HN 0.447 nan 8.190 nan 0.000 0.437 19 Y N 3.751 124.107 120.300 0.093 0.000 2.383 19 Y HA 0.538 5.087 4.550 -0.000 0.000 0.344 19 Y C 0.269 176.207 175.900 0.064 0.000 0.986 19 Y CA -0.414 57.719 58.100 0.054 0.000 1.175 19 Y CB 1.366 39.848 38.460 0.038 0.000 1.152 19 Y HN 0.378 nan 8.280 nan 0.000 0.511 20 V N 4.407 124.401 119.914 0.135 0.000 2.628 20 V HA 0.531 4.650 4.120 -0.000 0.000 0.306 20 V C -0.557 175.595 176.094 0.096 0.000 1.045 20 V CA -1.386 60.983 62.300 0.115 0.000 0.905 20 V CB 2.073 33.945 31.823 0.081 0.000 0.997 20 V HN 0.634 nan 8.190 nan 0.000 0.436 21 K N 2.602 123.056 120.400 0.090 0.000 2.615 21 K HA 0.330 4.650 4.320 -0.000 0.000 0.249 21 K C -1.116 175.518 176.600 0.057 0.000 0.977 21 K CA -0.481 55.847 56.287 0.068 0.000 0.833 21 K CB 1.191 33.729 32.500 0.064 0.000 1.208 21 K HN 0.761 nan 8.250 nan 0.000 0.443 22 D N 3.532 123.961 120.400 0.049 0.000 2.697 22 D HA -0.177 4.463 4.640 -0.000 0.000 0.238 22 D C 0.575 176.904 176.300 0.049 0.000 1.152 22 D CA 1.819 55.845 54.000 0.043 0.000 0.666 22 D CB -1.117 39.702 40.800 0.031 0.000 1.037 22 D HN 1.129 nan 8.370 nan 0.000 0.423 23 G N 0.116 108.953 108.800 0.062 0.000 2.168 23 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.257 23 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.257 23 G C 0.246 175.205 174.900 0.098 0.000 0.997 23 G CA 0.998 46.143 45.100 0.074 0.000 0.708 23 G HN 0.663 nan 8.290 nan 0.000 0.520 24 K N -0.059 120.402 120.400 0.102 0.000 2.443 24 K HA 0.630 4.949 4.320 -0.000 0.000 0.252 24 K C 0.198 176.902 176.600 0.174 0.000 0.933 24 K CA -1.233 55.137 56.287 0.138 0.000 0.792 24 K CB 1.115 33.643 32.500 0.047 0.000 1.185 24 K HN 0.104 nan 8.250 nan 0.000 0.425 25 I N 6.027 126.761 120.570 0.272 0.000 2.556 25 I HA 0.015 4.185 4.170 -0.000 0.000 0.284 25 I C 1.208 177.451 176.117 0.210 0.000 1.114 25 I CA 0.043 61.480 61.300 0.227 0.000 1.418 25 I CB 0.746 38.859 38.000 0.190 0.000 1.394 25 I HN 0.683 nan 8.210 nan 0.000 0.552 26 I N 5.404 126.080 120.570 0.178 0.000 2.810 26 I HA 0.084 4.254 4.170 -0.000 0.000 0.262 26 I C 0.785 176.978 176.117 0.126 0.000 1.131 26 I CA 0.360 61.742 61.300 0.136 0.000 1.453 26 I CB 0.150 38.219 38.000 0.114 0.000 1.161 26 I HN 0.663 nan 8.210 nan 0.000 0.444 27 R N 0.303 120.903 120.500 0.167 0.000 2.709 27 R HA 0.580 4.920 4.340 -0.000 0.000 0.270 27 R C -1.768 174.670 176.300 0.230 0.000 1.038 27 R CA -0.783 55.403 56.100 0.143 0.000 0.872 27 R CB 1.384 31.705 30.300 0.035 0.000 1.259 27 R HN -0.133 nan 8.270 nan 0.000 0.473 28 M N 1.471 121.180 119.600 0.182 0.000 2.465 28 M HA 0.520 5.000 4.480 -0.000 0.000 0.316 28 M C -0.846 175.555 176.300 0.169 0.000 1.121 28 M CA -0.765 54.658 55.300 0.205 0.000 0.934 28 M CB 2.737 35.426 32.600 0.149 0.000 1.692 28 M HN 0.974 nan 8.290 nan 0.000 0.444 29 T N -0.028 114.638 114.554 0.187 0.000 2.843 29 T HA 0.690 5.039 4.350 -0.000 0.000 0.302 29 T C -3.086 171.631 174.700 0.028 0.000 1.232 29 T CA -1.783 60.390 62.100 0.121 0.000 1.009 29 T CB 1.962 70.940 68.868 0.184 0.000 1.254 29 T HN 0.240 nan 8.240 nan 0.000 0.504 30 P HA 0.350 nan 4.420 nan 0.000 0.271 30 P C -0.647 176.514 177.300 -0.231 0.000 1.244 30 P CA -0.452 62.559 63.100 -0.149 0.000 0.793 30 P CB 0.297 31.933 31.700 -0.106 0.000 0.984 31 M N 1.072 120.405 119.600 -0.444 0.000 2.205 31 M HA 0.284 4.764 4.480 -0.000 0.000 0.344 31 M C -0.559 175.488 176.300 -0.421 0.000 1.085 31 M CA -0.500 54.389 55.300 -0.686 0.000 1.001 31 M CB 1.063 32.972 32.600 -1.152 0.000 1.626 31 M HN 0.141 nan 8.290 nan 0.000 0.442 32 D N 2.861 123.209 120.400 -0.087 0.000 2.210 32 D HA 0.406 5.046 4.640 -0.000 0.000 0.249 32 D C -0.695 175.662 176.300 0.095 0.000 1.062 32 D CA 0.078 54.023 54.000 -0.091 0.000 0.891 32 D CB 0.900 41.728 40.800 0.047 0.000 1.186 32 D HN 0.351 nan 8.370 nan 0.000 0.432 33 F N 0.361 120.311 119.950 -0.000 0.000 2.371 33 F HA 0.131 4.658 4.527 -0.000 0.000 0.329 33 F C 1.076 176.933 175.800 0.094 0.000 1.107 33 F CA -0.801 57.230 58.000 0.051 0.000 1.137 33 F CB 0.998 39.978 39.000 -0.034 0.000 1.214 33 F HN 0.126 nan 8.300 nan 0.000 0.536 34 D N 1.831 122.439 120.400 0.346 0.000 2.473 34 D HA 0.114 4.754 4.640 -0.000 0.000 0.226 34 D C 0.331 176.712 176.300 0.136 0.000 1.089 34 D CA -0.435 53.687 54.000 0.203 0.000 0.883 34 D CB 0.433 41.346 40.800 0.187 0.000 1.029 34 D HN 0.304 nan 8.370 nan 0.000 0.517 35 D N 2.634 123.103 120.400 0.115 0.000 2.357 35 D HA -0.158 4.482 4.640 -0.000 0.000 0.216 35 D C 1.635 177.963 176.300 0.046 0.000 0.973 35 D CA 0.849 54.893 54.000 0.074 0.000 0.912 35 D CB 0.119 40.960 40.800 0.068 0.000 0.900 35 D HN 0.553 nan 8.370 nan 0.000 0.501 36 A N -0.039 122.810 122.820 0.049 0.000 2.067 36 A HA 0.028 4.347 4.320 -0.000 0.000 0.217 36 A C 2.077 179.676 177.584 0.026 0.000 1.156 36 A CA 1.256 53.314 52.037 0.035 0.000 0.683 36 A CB 0.169 19.189 19.000 0.035 0.000 0.808 36 A HN 0.245 nan 8.150 nan 0.000 0.455 37 V N -4.700 115.228 119.914 0.022 0.000 3.426 37 V HA 0.268 4.388 4.120 -0.000 0.000 0.279 37 V C -0.725 175.345 176.094 -0.040 0.000 1.544 37 V CA -0.288 62.013 62.300 0.001 0.000 1.017 37 V CB 0.072 31.892 31.823 -0.005 0.000 0.821 37 V HN 0.141 nan 8.190 nan 0.000 0.432 38 D N 2.931 123.300 120.400 -0.052 0.000 2.274 38 D HA 0.671 5.311 4.640 -0.000 0.000 0.239 38 D C 0.560 176.758 176.300 -0.170 0.000 1.104 38 D CA 0.519 54.417 54.000 -0.171 0.000 0.840 38 D CB 1.952 42.635 40.800 -0.195 0.000 1.100 38 D HN 0.537 nan 8.370 nan 0.000 0.477 39 A N 4.079 126.757 122.820 -0.236 0.000 2.555 39 A HA 0.239 4.559 4.320 -0.000 0.000 0.233 39 A C -2.004 175.517 177.584 -0.106 0.000 1.060 39 A CA -0.532 51.408 52.037 -0.163 0.000 0.759 39 A CB -0.422 18.442 19.000 -0.226 0.000 0.995 39 A HN 0.330 nan 8.150 nan 0.000 0.506 40 P HA 0.187 nan 4.420 nan 0.000 0.270 40 P C -0.087 177.232 177.300 0.032 0.000 1.223 40 P CA -0.107 63.000 63.100 0.012 0.000 0.785 40 P CB 0.531 32.239 31.700 0.014 0.000 0.923 41 S N 0.378 116.104 115.700 0.042 0.000 2.681 41 S HA 0.344 4.814 4.470 -0.000 0.000 0.270 41 S C -0.034 174.502 174.600 -0.105 0.000 1.209 41 S CA -0.709 57.454 58.200 -0.061 0.000 0.988 41 S CB 0.182 63.287 63.200 -0.157 0.000 1.006 41 S HN 0.506 nan 8.310 nan 0.000 0.558 42 W N 0.377 121.671 121.300 -0.010 0.000 2.086 42 W HA 0.628 5.287 4.660 -0.000 0.000 0.355 42 W C -0.654 175.880 176.519 0.025 0.000 1.313 42 W CA -0.633 56.711 57.345 -0.002 0.000 1.358 42 W CB -0.025 29.422 29.460 -0.021 0.000 1.166 42 W HN 0.387 nan 8.180 nan 0.000 0.630 43 K N 0.851 121.505 120.400 0.424 0.000 2.477 43 K HA 0.652 4.972 4.320 -0.000 0.000 0.255 43 K C -1.241 175.592 176.600 0.387 0.000 0.952 43 K CA -0.994 55.466 56.287 0.288 0.000 0.826 43 K CB 2.775 35.329 32.500 0.089 0.000 1.331 43 K HN 0.389 nan 8.250 nan 0.000 0.437 44 I N 1.956 122.718 120.570 0.319 0.000 2.512 44 I HA 0.194 4.364 4.170 -0.000 0.000 0.287 44 I C -1.078 175.131 176.117 0.153 0.000 1.069 44 I CA -0.745 60.697 61.300 0.238 0.000 1.056 44 I CB 2.221 40.385 38.000 0.273 0.000 1.229 44 I HN 0.443 nan 8.210 nan 0.000 0.429 45 E N 5.047 125.296 120.200 0.082 0.000 2.109 45 E HA 0.741 5.090 4.350 -0.000 0.000 0.278 45 E C -0.804 175.833 176.600 0.061 0.000 0.954 45 E CA -0.259 56.154 56.400 0.022 0.000 0.779 45 E CB 1.753 31.449 29.700 -0.007 0.000 1.093 45 E HN 0.627 nan 8.360 nan 0.000 0.401 46 A N 3.359 126.241 122.820 0.104 0.000 2.488 46 A HA 0.579 4.899 4.320 -0.000 0.000 0.298 46 A C -0.519 177.139 177.584 0.124 0.000 1.044 46 A CA -0.834 51.278 52.037 0.125 0.000 0.693 46 A CB 0.937 20.048 19.000 0.185 0.000 1.272 46 A HN 0.701 nan 8.150 nan 0.000 0.402 47 R N 0.981 121.515 120.500 0.056 0.000 3.301 47 R HA -0.237 4.103 4.340 -0.000 0.000 0.249 47 R C 1.132 177.447 176.300 0.025 0.000 0.964 47 R CA 1.246 57.376 56.100 0.051 0.000 0.653 47 R CB -1.850 28.503 30.300 0.088 0.000 1.043 47 R HN 2.500 nan 8.270 nan 0.000 0.454 48 G N -0.631 108.162 108.800 -0.011 0.000 2.155 48 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.257 48 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.257 48 G C 0.036 174.869 174.900 -0.112 0.000 0.983 48 G CA 1.094 46.167 45.100 -0.045 0.000 0.676 48 G HN 0.459 nan 8.290 nan 0.000 0.528 49 K N -0.774 119.510 120.400 -0.193 0.000 2.395 49 K HA 0.692 5.012 4.320 -0.000 0.000 0.245 49 K C -0.815 175.438 176.600 -0.579 0.000 1.017 49 K CA -0.720 55.305 56.287 -0.436 0.000 0.852 49 K CB 1.740 33.834 32.500 -0.676 0.000 1.311 49 K HN 0.019 nan 8.250 nan 0.000 0.452 50 T N 1.715 115.860 114.554 -0.682 0.000 2.791 50 T HA 0.448 4.798 4.350 -0.000 0.000 0.288 50 T C -1.052 173.194 174.700 -0.757 0.000 0.999 50 T CA -0.525 61.261 62.100 -0.523 0.000 0.952 50 T CB -0.033 68.669 68.868 -0.278 0.000 0.938 50 T HN 0.234 nan 8.240 nan 0.000 0.444 51 F N 1.976 121.718 119.950 -0.347 0.000 2.411 51 F HA 0.596 5.123 4.527 -0.000 0.000 0.352 51 F C 0.892 176.443 175.800 -0.416 0.000 1.123 51 F CA -0.712 56.864 58.000 -0.706 0.000 1.044 51 F CB 1.873 40.207 39.000 -1.110 0.000 1.135 51 F HN 0.347 nan 8.300 nan 0.000 0.461 52 T N 4.970 119.409 114.554 -0.193 0.000 2.933 52 T HA 0.480 4.830 4.350 -0.000 0.000 0.305 52 T C -2.773 171.947 174.700 0.033 0.000 1.092 52 T CA -1.845 60.102 62.100 -0.255 0.000 1.008 52 T CB 1.646 70.398 68.868 -0.193 0.000 1.102 52 T HN 0.318 nan 8.240 nan 0.000 0.469 53 P HA 0.459 nan 4.420 nan 0.000 0.276 53 P C -2.787 174.572 177.300 0.098 0.000 1.261 53 P CA -1.458 61.676 63.100 0.057 0.000 0.800 53 P CB -0.537 31.119 31.700 -0.073 0.000 1.066 54 P HA 0.202 nan 4.420 nan 0.000 0.271 54 P C 0.264 177.586 177.300 0.036 0.000 1.218 54 P CA -0.055 63.078 63.100 0.055 0.000 0.780 54 P CB 0.284 31.986 31.700 0.004 0.000 0.901 55 R N 2.940 123.421 120.500 -0.032 0.000 4.792 55 R HA 0.163 4.503 4.340 -0.000 0.000 0.205 55 R C 0.370 176.311 176.300 -0.597 0.000 1.875 55 R CA 0.328 56.375 56.100 -0.088 0.000 1.588 55 R CB -0.655 29.681 30.300 0.060 0.000 1.401 55 R HN 0.503 nan 8.270 nan 0.000 0.834 56 K N -0.380 119.507 120.400 -0.856 0.000 2.642 56 K HA 0.132 4.452 4.320 -0.000 0.000 0.290 56 K C -0.882 175.342 176.600 -0.627 0.000 1.006 56 K CA -0.505 55.214 56.287 -0.945 0.000 0.869 56 K CB 1.447 33.692 32.500 -0.425 0.000 1.499 56 K HN 0.116 nan 8.250 nan 0.000 0.403 57 T N -1.231 113.033 114.554 -0.484 0.000 2.910 57 T HA 0.690 5.040 4.350 -0.000 0.000 0.279 57 T C -0.068 174.586 174.700 -0.078 0.000 0.989 57 T CA -0.456 61.568 62.100 -0.127 0.000 0.968 57 T CB 1.291 70.052 68.868 -0.178 0.000 1.135 57 T HN 0.647 nan 8.240 nan 0.000 0.562 58 S N -0.208 115.527 115.700 0.058 0.000 2.632 58 S HA 0.808 5.278 4.470 -0.000 0.000 0.289 58 S C -0.544 174.069 174.600 0.021 0.000 1.115 58 S CA -1.075 57.163 58.200 0.062 0.000 0.889 58 S CB 1.074 64.375 63.200 0.167 0.000 1.116 58 S HN 1.222 nan 8.310 nan 0.000 0.486 59 I N -1.733 118.843 120.570 0.010 0.000 3.042 59 I HA 0.941 5.111 4.170 -0.000 0.000 0.310 59 I C -0.235 175.796 176.117 -0.143 0.000 1.117 59 I CA -1.642 59.600 61.300 -0.098 0.000 1.003 59 I CB 1.594 39.527 38.000 -0.111 0.000 1.228 59 I HN 0.860 nan 8.210 nan 0.000 0.443 60 A N 3.500 126.086 122.820 -0.390 0.000 2.264 60 A HA 0.690 5.010 4.320 -0.000 0.000 0.304 60 A C -1.940 175.351 177.584 -0.488 0.000 1.100 60 A CA -1.652 50.001 52.037 -0.641 0.000 0.839 60 A CB 0.043 18.349 19.000 -1.156 0.000 1.121 60 A HN 0.702 nan 8.150 nan 0.000 0.496 61 P HA -0.235 nan 4.420 nan 0.000 0.215 61 P C 0.923 178.170 177.300 -0.087 0.000 1.163 61 P CA 2.332 65.389 63.100 -0.072 0.000 0.894 61 P CB -0.267 31.514 31.700 0.134 0.000 0.791 62 Y N -2.558 117.775 120.300 0.054 0.000 2.403 62 Y HA -0.031 4.519 4.550 -0.000 0.000 0.291 62 Y C 1.988 177.981 175.900 0.154 0.000 1.143 62 Y CA 1.104 59.242 58.100 0.062 0.000 1.257 62 Y CB -2.223 36.254 38.460 0.027 0.000 0.984 62 Y HN -0.147 nan 8.280 nan 0.000 0.550 63 T N 0.310 114.844 114.554 -0.034 0.000 2.976 63 T HA 0.087 4.437 4.350 -0.000 0.000 0.257 63 T C 2.260 177.020 174.700 0.100 0.000 1.051 63 T CA 0.970 63.124 62.100 0.090 0.000 1.141 63 T CB -0.431 68.382 68.868 -0.092 0.000 0.881 63 T HN 0.532 nan 8.240 nan 0.000 0.461 64 A N 1.129 123.965 122.820 0.026 0.000 1.948 64 A HA 0.081 4.400 4.320 -0.000 0.000 0.220 64 A C 2.093 179.749 177.584 0.120 0.000 1.177 64 A CA 1.740 53.813 52.037 0.059 0.000 0.636 64 A CB -0.832 18.192 19.000 0.039 0.000 0.815 64 A HN 0.501 nan 8.150 nan 0.000 0.449 65 G N -2.775 106.111 108.800 0.144 0.000 3.707 65 G HA2 0.322 4.282 3.960 -0.000 0.000 0.286 65 G HA3 0.322 4.282 3.960 -0.000 0.000 0.286 65 G C 0.616 175.548 174.900 0.054 0.000 1.112 65 G CA 0.042 45.250 45.100 0.180 0.000 0.861 65 G HN 0.330 nan 8.290 nan 0.000 0.534 66 F N 1.049 120.968 119.950 -0.053 0.000 2.293 66 F HA 0.049 4.576 4.527 -0.000 0.000 0.300 66 F C 2.418 178.075 175.800 -0.239 0.000 1.086 66 F CA 1.346 59.277 58.000 -0.116 0.000 1.375 66 F CB 0.316 39.258 39.000 -0.095 0.000 1.045 66 F HN 0.222 nan 8.300 nan 0.000 0.516 67 K N 0.190 120.508 120.400 -0.136 0.000 2.103 67 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 67 K C 2.131 178.536 176.600 -0.325 0.000 1.048 67 K CA 1.690 57.840 56.287 -0.229 0.000 0.930 67 K CB -0.304 32.182 32.500 -0.022 0.000 0.716 67 K HN 0.386 nan 8.250 nan 0.000 0.444 68 S N -0.092 115.302 115.700 -0.511 0.000 2.507 68 S HA -0.102 4.367 4.470 -0.000 0.000 0.235 68 S C 1.793 176.146 174.600 -0.412 0.000 0.988 68 S CA 0.882 58.670 58.200 -0.686 0.000 0.944 68 S CB -0.145 62.180 63.200 -1.457 0.000 0.762 68 S HN 0.300 nan 8.310 nan 0.000 0.526 69 M N 0.509 119.831 119.600 -0.463 0.000 2.325 69 M HA 0.267 4.747 4.480 -0.000 0.000 0.265 69 M C 1.987 178.243 176.300 -0.073 0.000 1.094 69 M CA 0.820 55.916 55.300 -0.341 0.000 1.161 69 M CB -0.366 31.801 32.600 -0.723 0.000 1.358 69 M HN 0.256 nan 8.290 nan 0.000 0.446 70 I N -0.623 119.734 120.570 -0.356 0.000 2.163 70 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 70 I C 0.880 176.828 176.117 -0.283 0.000 1.085 70 I CA 1.465 62.544 61.300 -0.368 0.000 1.347 70 I CB -0.264 37.335 38.000 -0.667 0.000 1.044 70 I HN 0.245 nan 8.210 nan 0.000 0.408 71 Y N 0.713 120.973 120.300 -0.067 0.000 2.811 71 Y HA 0.279 4.829 4.550 -0.000 0.000 0.330 71 Y C 1.046 176.931 175.900 -0.026 0.000 1.081 71 Y CA -0.792 57.283 58.100 -0.042 0.000 1.408 71 Y CB -0.470 37.963 38.460 -0.045 0.000 1.235 71 Y HN -0.081 nan 8.280 nan 0.000 0.529 72 S N 1.161 116.943 115.700 0.137 0.000 2.576 72 S HA -0.008 4.462 4.470 -0.000 0.000 0.276 72 S C 1.308 175.990 174.600 0.136 0.000 1.339 72 S CA -0.365 57.914 58.200 0.131 0.000 1.039 72 S CB 0.584 63.925 63.200 0.234 0.000 0.902 72 S HN 0.632 nan 8.310 nan 0.000 0.516 73 D N 3.754 124.215 120.400 0.100 0.000 2.355 73 D HA -0.056 4.584 4.640 -0.000 0.000 0.218 73 D C 1.254 177.637 176.300 0.139 0.000 1.004 73 D CA 0.431 54.472 54.000 0.068 0.000 0.880 73 D CB -0.087 40.727 40.800 0.022 0.000 0.911 73 D HN 0.541 nan 8.370 nan 0.000 0.528 74 L N -0.214 121.155 121.223 0.243 0.000 2.607 74 L HA 0.186 4.526 4.340 -0.000 0.000 0.228 74 L C 0.930 178.049 176.870 0.415 0.000 1.123 74 L CA -0.577 54.502 54.840 0.399 0.000 0.890 74 L CB 0.001 42.254 42.059 0.323 0.000 1.103 74 L HN -0.170 nan 8.230 nan 0.000 0.468 75 R N 1.569 122.238 120.500 0.282 0.000 2.570 75 R HA 0.103 4.443 4.340 -0.000 0.000 0.277 75 R C -0.157 176.153 176.300 0.017 0.000 1.039 75 R CA 0.152 56.283 56.100 0.052 0.000 1.065 75 R CB 0.101 30.380 30.300 -0.034 0.000 0.964 75 R HN 0.057 nan 8.270 nan 0.000 0.428 76 I N 8.804 129.320 120.570 -0.091 0.000 2.578 76 I HA 0.034 4.204 4.170 -0.000 0.000 0.286 76 I C -1.074 174.916 176.117 -0.213 0.000 1.126 76 I CA -1.165 60.054 61.300 -0.135 0.000 1.380 76 I CB 1.094 38.996 38.000 -0.163 0.000 1.408 76 I HN 0.664 nan 8.210 nan 0.000 0.532 77 P HA -0.105 nan 4.420 nan 0.000 0.222 77 P C -0.651 176.429 177.300 -0.368 0.000 1.153 77 P CA 1.496 64.323 63.100 -0.456 0.000 0.798 77 P CB 0.258 31.497 31.700 -0.768 0.000 0.796 78 Y N -6.014 114.233 120.300 -0.089 0.000 2.810 78 Y HA 0.571 5.121 4.550 -0.000 0.000 0.355 78 Y C -3.258 172.458 175.900 -0.307 0.000 1.211 78 Y CA -3.761 54.236 58.100 -0.172 0.000 1.112 78 Y CB -0.879 37.507 38.460 -0.123 0.000 1.383 78 Y HN -0.378 nan 8.280 nan 0.000 0.458 79 P HA 0.185 nan 4.420 nan 0.000 0.264 79 P C -0.785 176.472 177.300 -0.071 0.000 1.183 79 P CA 0.762 63.614 63.100 -0.414 0.000 0.763 79 P CB 0.308 31.598 31.700 -0.684 0.000 0.807 80 M N 2.557 122.110 119.600 -0.078 0.000 2.591 80 M HA 0.476 4.956 4.480 -0.000 0.000 0.306 80 M C -0.094 176.276 176.300 0.116 0.000 1.190 80 M CA -0.650 54.683 55.300 0.055 0.000 0.889 80 M CB 2.920 35.497 32.600 -0.037 0.000 1.728 80 M HN 0.110 nan 8.290 nan 0.000 0.458 81 K N 1.517 122.066 120.400 0.248 0.000 2.427 81 K HA 0.486 4.806 4.320 -0.000 0.000 0.252 81 K C -1.221 175.567 176.600 0.313 0.000 0.931 81 K CA -0.792 55.660 56.287 0.275 0.000 0.793 81 K CB 2.367 34.989 32.500 0.204 0.000 1.211 81 K HN 0.767 nan 8.250 nan 0.000 0.426 82 R N 3.644 124.273 120.500 0.216 0.000 2.370 82 R HA 0.044 4.384 4.340 -0.000 0.000 0.309 82 R C 0.499 176.817 176.300 0.030 0.000 1.059 82 R CA 0.337 56.352 56.100 -0.141 0.000 0.981 82 R CB 0.587 30.804 30.300 -0.138 0.000 0.972 82 R HN 0.693 nan 8.270 nan 0.000 0.437 83 K N 1.488 121.858 120.400 -0.050 0.000 2.044 83 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 83 K C 1.652 178.277 176.600 0.041 0.000 1.049 83 K CA 2.161 58.457 56.287 0.014 0.000 0.927 83 K CB -0.060 32.432 32.500 -0.013 0.000 0.713 83 K HN 0.713 nan 8.250 nan 0.000 0.443 84 S N 0.500 116.216 115.700 0.027 0.000 2.603 84 S HA -0.077 4.393 4.470 -0.000 0.000 0.229 84 S C 0.344 175.018 174.600 0.123 0.000 0.972 84 S CA -0.052 58.179 58.200 0.053 0.000 0.935 84 S CB -0.464 62.756 63.200 0.033 0.000 0.769 84 S HN 0.238 nan 8.310 nan 0.000 0.536 85 F N 2.775 122.734 119.950 0.015 0.000 2.385 85 F HA 0.568 5.095 4.527 -0.000 0.000 0.360 85 F C -0.697 175.137 175.800 0.058 0.000 1.122 85 F CA -1.358 56.677 58.000 0.058 0.000 1.090 85 F CB 1.098 40.158 39.000 0.101 0.000 1.150 85 F HN -0.007 nan 8.300 nan 0.000 0.472 86 D N 8.501 128.509 120.400 -0.654 0.000 2.469 86 D HA 0.410 5.050 4.640 -0.000 0.000 0.251 86 D C -2.205 173.647 176.300 -0.745 0.000 1.173 86 D CA -2.495 51.172 54.000 -0.556 0.000 0.882 86 D CB 2.225 42.881 40.800 -0.240 0.000 1.129 86 D HN 0.190 nan 8.370 nan 0.000 0.549 87 P HA -0.107 nan 4.420 nan 0.000 0.216 87 P C -0.094 177.064 177.300 -0.237 0.000 1.154 87 P CA 1.183 64.005 63.100 -0.464 0.000 0.865 87 P CB 0.182 31.743 31.700 -0.231 0.000 0.789 88 N N -1.468 117.122 118.700 -0.183 0.000 2.320 88 N HA 0.301 5.040 4.740 -0.000 0.000 0.237 88 N C 0.656 176.110 175.510 -0.093 0.000 1.129 88 N CA 0.082 53.070 53.050 -0.104 0.000 0.854 88 N CB 0.531 38.977 38.487 -0.069 0.000 1.083 88 N HN 0.138 nan 8.380 nan 0.000 0.504 89 G N -0.739 107.984 108.800 -0.127 0.000 2.894 89 G HA2 0.119 4.079 3.960 -0.000 0.000 0.164 89 G HA3 0.119 4.079 3.960 -0.000 0.000 0.164 89 G C -1.274 173.570 174.900 -0.092 0.000 1.180 89 G CA -0.501 44.544 45.100 -0.091 0.000 0.997 89 G HN -0.074 nan 8.290 nan 0.000 0.572 90 E N 1.097 121.252 120.200 -0.074 0.000 2.265 90 E HA 0.246 4.596 4.350 -0.000 0.000 0.272 90 E C 0.959 177.516 176.600 -0.071 0.000 1.067 90 E CA -0.104 56.270 56.400 -0.043 0.000 0.900 90 E CB 1.620 31.311 29.700 -0.016 0.000 1.017 90 E HN 0.420 nan 8.360 nan 0.000 0.431 91 R N 2.118 122.606 120.500 -0.021 0.000 2.240 91 R HA 0.023 4.363 4.340 -0.000 0.000 0.203 91 R C -0.080 176.359 176.300 0.232 0.000 1.011 91 R CA -0.132 56.007 56.100 0.065 0.000 1.007 91 R CB 0.077 30.504 30.300 0.211 0.000 0.911 91 R HN 0.461 nan 8.270 nan 0.000 0.468 92 N N 0.738 119.519 118.700 0.135 0.000 2.669 92 N HA -0.128 4.612 4.740 -0.000 0.000 0.266 92 N C -2.234 173.377 175.510 0.168 0.000 1.024 92 N CA 0.392 53.518 53.050 0.127 0.000 0.766 92 N CB -0.512 38.035 38.487 0.100 0.000 0.898 92 N HN 0.198 nan 8.380 nan 0.000 0.548 93 P HA -0.200 nan 4.420 nan 0.000 0.216 93 P C 1.748 179.139 177.300 0.152 0.000 1.150 93 P CA 1.215 64.423 63.100 0.179 0.000 0.837 93 P CB 0.129 31.920 31.700 0.152 0.000 0.786 94 Q N -0.003 119.865 119.800 0.114 0.000 2.439 94 Q HA -0.112 4.228 4.340 -0.000 0.000 0.211 94 Q C 1.456 177.519 176.000 0.105 0.000 0.978 94 Q CA 1.377 57.242 55.803 0.102 0.000 0.897 94 Q CB -1.169 27.611 28.738 0.071 0.000 0.956 94 Q HN 0.339 nan 8.270 nan 0.000 0.483 95 L N 0.517 121.800 121.223 0.101 0.000 2.607 95 L HA 0.241 4.580 4.340 -0.000 0.000 0.228 95 L C 0.677 177.583 176.870 0.060 0.000 1.123 95 L CA -0.274 54.608 54.840 0.070 0.000 0.890 95 L CB 0.140 42.229 42.059 0.050 0.000 1.103 95 L HN -0.003 nan 8.230 nan 0.000 0.468 96 R N 0.540 121.111 120.500 0.117 0.000 2.489 96 R HA 0.232 4.571 4.340 -0.000 0.000 0.287 96 R C 1.192 177.564 176.300 0.120 0.000 1.053 96 R CA 0.774 56.948 56.100 0.124 0.000 1.036 96 R CB 0.311 30.752 30.300 0.235 0.000 0.966 96 R HN 0.274 nan 8.270 nan 0.000 0.432 97 G N 1.659 110.375 108.800 -0.140 0.000 2.179 97 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.260 97 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.260 97 G C 0.976 175.758 174.900 -0.196 0.000 0.977 97 G CA 0.396 45.222 45.100 -0.457 0.000 0.641 97 G HN 0.732 nan 8.290 nan 0.000 0.533 98 A N 0.310 123.077 122.820 -0.088 0.000 1.892 98 A HA 0.217 4.537 4.320 -0.000 0.000 0.218 98 A C 2.859 180.407 177.584 -0.061 0.000 1.188 98 A CA 2.500 54.511 52.037 -0.043 0.000 0.631 98 A CB -1.109 17.875 19.000 -0.026 0.000 0.822 98 A HN 1.671 nan 8.150 nan 0.000 0.447 99 G N -0.634 108.113 108.800 -0.088 0.000 2.422 99 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.218 99 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.218 99 G C 1.436 176.298 174.900 -0.063 0.000 1.146 99 G CA 1.179 46.249 45.100 -0.050 0.000 0.769 99 G HN 0.403 nan 8.290 nan 0.000 0.547 100 L N 1.199 122.337 121.223 -0.143 0.000 2.093 100 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 100 L C 2.895 179.703 176.870 -0.104 0.000 1.085 100 L CA 1.802 56.539 54.840 -0.172 0.000 0.755 100 L CB -0.548 41.315 42.059 -0.327 0.000 0.904 100 L HN 0.165 nan 8.230 nan 0.000 0.435 101 S N -0.351 115.312 115.700 -0.062 0.000 2.447 101 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 101 S C 1.315 175.910 174.600 -0.008 0.000 1.006 101 S CA 1.190 59.384 58.200 -0.010 0.000 0.957 101 S CB -0.267 62.947 63.200 0.023 0.000 0.773 101 S HN 0.609 nan 8.310 nan 0.000 0.507 102 K N 0.422 120.813 120.400 -0.014 0.000 2.593 102 K HA 0.342 4.662 4.320 -0.000 0.000 0.208 102 K C -0.569 176.031 176.600 0.000 0.000 1.051 102 K CA -0.250 56.036 56.287 -0.001 0.000 1.111 102 K CB 0.206 32.710 32.500 0.006 0.000 0.849 102 K HN -0.151 nan 8.250 nan 0.000 0.479 103 Q N 1.248 121.037 119.800 -0.018 0.000 2.457 103 Q HA -0.207 4.132 4.340 -0.000 0.000 0.283 103 Q C -1.131 174.885 176.000 0.027 0.000 1.234 103 Q CA 1.606 57.401 55.803 -0.013 0.000 0.877 103 Q CB -1.760 26.973 28.738 -0.007 0.000 1.250 103 Q HN 0.677 nan 8.270 nan 0.000 0.481 104 D N -2.702 117.720 120.400 0.037 0.000 2.934 104 D HA 0.274 4.913 4.640 -0.000 0.000 0.249 104 D C -2.225 174.148 176.300 0.121 0.000 1.293 104 D CA -1.627 52.433 54.000 0.100 0.000 0.812 104 D CB 0.908 41.761 40.800 0.087 0.000 1.439 104 D HN -0.147 nan 8.370 nan 0.000 0.555 105 P HA -0.118 nan 4.420 nan 0.000 0.214 105 P C 1.179 178.664 177.300 0.309 0.000 1.163 105 P CA 1.236 64.403 63.100 0.112 0.000 0.889 105 P CB 0.062 31.753 31.700 -0.015 0.000 0.790 106 W N 0.467 121.953 121.300 0.309 0.000 2.338 106 W HA -0.177 4.483 4.660 -0.000 0.000 0.304 106 W C 2.727 179.328 176.519 0.137 0.000 1.212 106 W CA 1.868 59.305 57.345 0.152 0.000 1.264 106 W CB -1.684 27.759 29.460 -0.028 0.000 1.142 106 W HN -0.005 nan 8.180 nan 0.000 0.512 107 S N -0.442 115.443 115.700 0.309 0.000 2.462 107 S HA -0.238 4.231 4.470 -0.000 0.000 0.243 107 S C 1.243 175.890 174.600 0.078 0.000 1.003 107 S CA 1.780 60.077 58.200 0.161 0.000 0.970 107 S CB -0.483 62.780 63.200 0.105 0.000 0.762 107 S HN 0.191 nan 8.310 nan 0.000 0.510 108 D N 0.036 120.459 120.400 0.037 0.000 2.317 108 D HA 0.188 4.828 4.640 -0.000 0.000 0.211 108 D C -0.404 175.613 176.300 -0.472 0.000 0.966 108 D CA 0.579 54.430 54.000 -0.249 0.000 0.876 108 D CB 0.056 40.602 40.800 -0.422 0.000 0.927 108 D HN 0.549 nan 8.370 nan 0.000 0.519 109 Y N 0.391 120.744 120.300 0.088 0.000 2.468 109 Y HA 0.345 4.895 4.550 -0.000 0.000 0.342 109 Y C 0.472 176.428 175.900 0.093 0.000 1.021 109 Y CA -1.181 56.968 58.100 0.082 0.000 1.079 109 Y CB 1.313 39.807 38.460 0.057 0.000 1.226 109 Y HN -0.212 nan 8.280 nan 0.000 0.460 110 E N 1.745 122.081 120.200 0.227 0.000 2.263 110 E HA 0.538 4.888 4.350 -0.000 0.000 0.264 110 E C -1.127 175.566 176.600 0.155 0.000 0.923 110 E CA -1.379 55.111 56.400 0.150 0.000 0.802 110 E CB 2.309 32.060 29.700 0.085 0.000 1.228 110 E HN 0.592 nan 8.360 nan 0.000 0.417 111 R N 2.321 122.864 120.500 0.071 0.000 2.357 111 R HA 0.474 4.814 4.340 -0.000 0.000 0.296 111 R C -0.276 175.978 176.300 -0.077 0.000 1.052 111 R CA -0.346 55.732 56.100 -0.036 0.000 0.988 111 R CB 0.512 30.561 30.300 -0.418 0.000 1.025 111 R HN 0.725 nan 8.270 nan 0.000 0.469 112 I N -0.412 120.112 120.570 -0.077 0.000 3.191 112 I HA 0.475 4.645 4.170 -0.000 0.000 0.313 112 I C -0.436 175.612 176.117 -0.116 0.000 1.193 112 I CA -1.192 60.065 61.300 -0.072 0.000 0.968 112 I CB 2.256 40.246 38.000 -0.017 0.000 1.262 112 I HN 0.681 nan 8.210 nan 0.000 0.456 113 S N 1.051 116.709 115.700 -0.071 0.000 2.632 113 S HA 0.268 4.738 4.470 -0.000 0.000 0.267 113 S C 0.272 174.852 174.600 -0.035 0.000 1.276 113 S CA -0.391 57.785 58.200 -0.041 0.000 0.998 113 S CB 0.811 64.026 63.200 0.025 0.000 0.953 113 S HN 0.864 nan 8.310 nan 0.000 0.547 114 W N 0.610 121.903 121.300 -0.012 0.000 2.358 114 W HA -0.059 4.601 4.660 -0.000 0.000 0.303 114 W C 2.254 178.736 176.519 -0.062 0.000 1.208 114 W CA 1.507 58.827 57.345 -0.042 0.000 1.274 114 W CB -0.436 28.992 29.460 -0.054 0.000 1.138 114 W HN 0.905 nan 8.180 nan 0.000 0.515 115 D N 0.155 120.674 120.400 0.197 0.000 2.104 115 D HA -0.274 4.366 4.640 -0.000 0.000 0.194 115 D C 1.924 178.266 176.300 0.070 0.000 0.994 115 D CA 1.969 56.030 54.000 0.102 0.000 0.830 115 D CB -0.230 40.616 40.800 0.078 0.000 0.959 115 D HN 0.294 nan 8.370 nan 0.000 0.452 116 E N -0.667 119.567 120.200 0.058 0.000 2.112 116 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 116 E C 2.002 178.638 176.600 0.060 0.000 0.979 116 E CA 0.821 57.251 56.400 0.049 0.000 0.814 116 E CB -0.181 29.540 29.700 0.035 0.000 0.762 116 E HN 0.278 nan 8.360 nan 0.000 0.460 117 A N 0.836 123.680 122.820 0.040 0.000 1.865 117 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 117 A C 2.515 180.162 177.584 0.104 0.000 1.191 117 A CA 2.634 54.699 52.037 0.045 0.000 0.623 117 A CB -1.437 17.517 19.000 -0.076 0.000 0.826 117 A HN 0.535 nan 8.150 nan 0.000 0.444 118 T N -2.830 111.759 114.554 0.058 0.000 2.915 118 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 118 T C 1.325 176.097 174.700 0.120 0.000 1.071 118 T CA 1.515 63.604 62.100 -0.017 0.000 1.132 118 T CB -0.388 68.260 68.868 -0.365 0.000 0.878 118 T HN 0.322 nan 8.240 nan 0.000 0.479 119 D N 1.358 121.814 120.400 0.094 0.000 2.117 119 D HA 0.076 4.716 4.640 -0.000 0.000 0.198 119 D C 2.023 178.389 176.300 0.110 0.000 0.982 119 D CA 0.674 54.734 54.000 0.099 0.000 0.828 119 D CB -0.288 40.554 40.800 0.070 0.000 0.967 119 D HN 0.443 nan 8.370 nan 0.000 0.464 120 I N 0.144 120.781 120.570 0.111 0.000 2.252 120 I HA -0.208 3.961 4.170 -0.000 0.000 0.245 120 I C 2.295 178.446 176.117 0.058 0.000 1.102 120 I CA 0.566 61.914 61.300 0.079 0.000 1.385 120 I CB -0.119 37.961 38.000 0.133 0.000 1.064 120 I HN -0.095 nan 8.210 nan 0.000 0.414 121 V N 0.361 120.406 119.914 0.219 0.000 2.358 121 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 121 V C 2.451 178.696 176.094 0.251 0.000 1.047 121 V CA 1.338 63.819 62.300 0.302 0.000 1.035 121 V CB -0.335 31.724 31.823 0.393 0.000 0.658 121 V HN 0.225 nan 8.190 nan 0.000 0.452 122 V N 0.480 120.580 119.914 0.309 0.000 2.343 122 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 122 V C 2.718 178.904 176.094 0.152 0.000 1.051 122 V CA 2.039 64.500 62.300 0.269 0.000 1.036 122 V CB -1.121 30.862 31.823 0.267 0.000 0.654 122 V HN 0.561 nan 8.190 nan 0.000 0.451 123 A N -0.676 122.202 122.820 0.096 0.000 1.933 123 A HA -0.189 4.130 4.320 -0.000 0.000 0.218 123 A C 2.226 179.825 177.584 0.024 0.000 1.175 123 A CA 1.584 53.650 52.037 0.048 0.000 0.628 123 A CB -0.362 18.648 19.000 0.017 0.000 0.814 123 A HN 0.510 nan 8.150 nan 0.000 0.444 124 E N -0.007 120.175 120.200 -0.030 0.000 2.047 124 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 124 E C 2.022 178.689 176.600 0.111 0.000 0.987 124 E CA 0.934 57.312 56.400 -0.036 0.000 0.799 124 E CB -0.417 29.117 29.700 -0.276 0.000 0.752 124 E HN 0.712 nan 8.360 nan 0.000 0.449 125 I N 1.896 122.559 120.570 0.155 0.000 2.127 125 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 125 I C 1.917 178.105 176.117 0.117 0.000 1.075 125 I CA 1.154 62.566 61.300 0.185 0.000 1.334 125 I CB -0.330 37.799 38.000 0.215 0.000 1.040 125 I HN 0.055 nan 8.210 nan 0.000 0.405 126 N N 0.455 119.200 118.700 0.074 0.000 2.244 126 N HA -0.170 4.570 4.740 -0.000 0.000 0.183 126 N C 1.840 177.351 175.510 0.002 0.000 1.016 126 N CA 0.923 53.965 53.050 -0.013 0.000 0.866 126 N CB -0.451 38.034 38.487 -0.004 0.000 0.980 126 N HN 0.368 nan 8.380 nan 0.000 0.430 127 R N 0.967 121.507 120.500 0.067 0.000 2.075 127 R HA 0.064 4.404 4.340 -0.000 0.000 0.232 127 R C 2.021 178.390 176.300 0.115 0.000 1.126 127 R CA 0.825 56.980 56.100 0.090 0.000 0.963 127 R CB -0.154 30.197 30.300 0.084 0.000 0.858 127 R HN 0.137 nan 8.270 nan 0.000 0.435 128 I N 0.814 121.483 120.570 0.164 0.000 2.286 128 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 128 I C 2.175 178.422 176.117 0.217 0.000 1.104 128 I CA 1.289 62.749 61.300 0.266 0.000 1.397 128 I CB -0.176 38.010 38.000 0.311 0.000 1.072 128 I HN 0.166 nan 8.210 nan 0.000 0.417 129 K N -0.127 120.353 120.400 0.133 0.000 2.097 129 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 129 K C 1.948 178.612 176.600 0.107 0.000 1.049 129 K CA 1.438 57.780 56.287 0.093 0.000 0.933 129 K CB -0.241 32.256 32.500 -0.004 0.000 0.717 129 K HN 0.488 nan 8.250 nan 0.000 0.442 130 H N -1.158 117.938 119.070 0.042 0.000 2.512 130 H HA 0.077 4.633 4.556 -0.000 0.000 0.279 130 H C 1.783 177.065 175.328 -0.077 0.000 0.999 130 H CA 0.416 56.462 56.048 -0.002 0.000 1.283 130 H CB 0.423 30.186 29.762 0.001 0.000 1.421 130 H HN 0.234 nan 8.280 nan 0.000 0.554 131 A N -0.235 122.558 122.820 -0.045 0.000 1.973 131 A HA 0.011 4.331 4.320 -0.000 0.000 0.210 131 A C 0.973 178.197 177.584 -0.599 0.000 1.200 131 A CA 0.601 52.394 52.037 -0.407 0.000 0.707 131 A CB 0.108 18.715 19.000 -0.654 0.000 0.862 131 A HN 0.320 nan 8.150 nan 0.000 0.461 132 Y N -1.472 118.904 120.300 0.126 0.000 2.494 132 Y HA 0.458 5.008 4.550 -0.000 0.000 0.271 132 Y C 1.197 177.177 175.900 0.133 0.000 1.113 132 Y CA -0.144 58.028 58.100 0.121 0.000 1.240 132 Y CB 0.377 38.913 38.460 0.126 0.000 1.268 132 Y HN 0.517 nan 8.280 nan 0.000 0.510 133 G N 0.473 109.427 108.800 0.256 0.000 2.555 133 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.686 133 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.686 133 G C -2.433 172.599 174.900 0.219 0.000 1.275 133 G CA -0.674 44.556 45.100 0.216 0.000 0.871 133 G HN -0.103 nan 8.290 nan 0.000 0.603 134 P HA -0.087 nan 4.420 nan 0.000 0.218 134 P C 2.181 179.583 177.300 0.171 0.000 1.148 134 P CA 2.404 65.603 63.100 0.165 0.000 0.822 134 P CB -0.025 31.750 31.700 0.125 0.000 0.784 135 S N -0.594 115.208 115.700 0.171 0.000 2.469 135 S HA -0.054 4.416 4.470 -0.000 0.000 0.238 135 S C 1.915 176.612 174.600 0.162 0.000 0.998 135 S CA 0.931 59.198 58.200 0.111 0.000 0.957 135 S CB -1.233 62.043 63.200 0.127 0.000 0.764 135 S HN 0.128 nan 8.310 nan 0.000 0.514 136 A N 0.838 123.783 122.820 0.209 0.000 2.206 136 A HA 0.415 4.734 4.320 -0.000 0.000 0.211 136 A C 0.898 178.605 177.584 0.205 0.000 1.158 136 A CA 0.099 52.255 52.037 0.197 0.000 0.761 136 A CB -0.461 18.680 19.000 0.236 0.000 0.801 136 A HN 0.631 nan 8.150 nan 0.000 0.473 137 I N 1.396 122.108 120.570 0.236 0.000 2.310 137 I HA 0.214 4.384 4.170 -0.000 0.000 0.287 137 I C -0.409 175.899 176.117 0.317 0.000 1.073 137 I CA -0.642 60.836 61.300 0.297 0.000 1.216 137 I CB 1.005 39.205 38.000 0.334 0.000 1.415 137 I HN 0.164 nan 8.210 nan 0.000 0.480 138 L N 6.127 127.502 121.223 0.253 0.000 2.417 138 L HA 0.531 4.871 4.340 -0.000 0.000 0.268 138 L C 0.069 177.227 176.870 0.481 0.000 1.158 138 L CA 0.822 55.771 54.840 0.183 0.000 0.819 138 L CB 1.381 43.296 42.059 -0.240 0.000 1.112 138 L HN 0.601 nan 8.230 nan 0.000 0.458 139 S N 2.302 118.340 115.700 0.564 0.000 2.552 139 S HA 0.725 5.194 4.470 -0.000 0.000 0.272 139 S C -1.086 173.958 174.600 0.739 0.000 1.150 139 S CA -0.081 58.565 58.200 0.743 0.000 0.849 139 S CB 1.256 64.774 63.200 0.530 0.000 1.113 139 S HN 1.069 nan 8.310 nan 0.000 0.458 140 T N 3.691 118.638 114.554 0.655 0.000 3.128 140 T HA 0.561 4.910 4.350 -0.000 0.000 0.363 140 T C -2.996 171.837 174.700 0.222 0.000 1.610 140 T CA -0.706 61.661 62.100 0.444 0.000 1.126 140 T CB 1.698 70.765 68.868 0.331 0.000 1.416 140 T HN 0.457 nan 8.240 nan 0.000 0.480 141 P HA 0.661 nan 4.420 nan 0.000 0.323 141 P C -0.414 176.942 177.300 0.093 0.000 1.363 141 P CA -0.214 62.845 63.100 -0.068 0.000 0.851 141 P CB 0.971 32.302 31.700 -0.615 0.000 2.110 142 S N -2.732 113.003 115.700 0.059 0.000 2.705 142 S HA 0.347 4.817 4.470 -0.000 0.000 0.280 142 S C 1.307 175.839 174.600 -0.113 0.000 1.174 142 S CA -0.304 57.846 58.200 -0.085 0.000 0.823 142 S CB 0.609 63.778 63.200 -0.051 0.000 1.162 142 S HN 0.226 nan 8.310 nan 0.000 0.487 143 S N 1.004 116.545 115.700 -0.265 0.000 2.370 143 S HA -0.040 4.430 4.470 -0.000 0.000 0.226 143 S C 0.507 174.923 174.600 -0.307 0.000 1.033 143 S CA 1.278 59.369 58.200 -0.181 0.000 1.011 143 S CB -0.371 62.719 63.200 -0.183 0.000 0.852 143 S HN 0.605 nan 8.310 nan 0.000 0.457 144 H N -0.656 118.526 119.070 0.188 0.000 2.676 144 H HA 0.569 5.125 4.556 -0.000 0.000 0.352 144 H C -0.251 175.210 175.328 0.221 0.000 1.193 144 H CA -0.372 55.856 56.048 0.300 0.000 1.243 144 H CB 1.373 31.345 29.762 0.350 0.000 1.751 144 H HN 0.225 nan 8.280 nan 0.000 0.567 145 H N 0.701 119.864 119.070 0.155 0.000 3.014 145 H HA 0.113 4.668 4.556 -0.000 0.000 0.337 145 H C -0.583 174.779 175.328 0.057 0.000 1.320 145 H CA -0.666 55.322 56.048 -0.099 0.000 1.128 145 H CB 1.706 31.026 29.762 -0.736 0.000 1.862 145 H HN 0.374 nan 8.280 nan 0.000 0.536 146 M N 1.604 121.157 119.600 -0.079 0.000 2.250 146 M HA -0.117 4.363 4.480 -0.000 0.000 0.337 146 M C 0.712 177.251 176.300 0.399 0.000 1.161 146 M CA 0.540 55.952 55.300 0.186 0.000 1.088 146 M CB -0.324 32.316 32.600 0.067 0.000 1.639 146 M HN 0.419 nan 8.290 nan 0.000 0.447 147 W N 2.210 123.595 121.300 0.142 0.000 2.193 147 W HA 0.343 5.003 4.660 -0.000 0.000 0.338 147 W C 0.262 176.881 176.519 0.167 0.000 1.310 147 W CA 0.486 57.929 57.345 0.164 0.000 1.243 147 W CB 0.970 30.461 29.460 0.051 0.000 1.165 147 W HN 0.759 nan 8.180 nan 0.000 0.566 148 G N 3.764 112.479 108.800 -0.140 0.000 2.414 148 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.213 148 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.213 148 G C -0.148 174.708 174.900 -0.074 0.000 1.444 148 G CA -0.754 44.306 45.100 -0.066 0.000 1.076 148 G HN 0.500 nan 8.290 nan 0.000 0.638 149 N N 0.509 119.087 118.700 -0.202 0.000 2.084 149 N HA -0.098 4.642 4.740 -0.000 0.000 0.190 149 N C 2.587 178.013 175.510 -0.141 0.000 1.030 149 N CA 1.580 54.502 53.050 -0.214 0.000 0.849 149 N CB -0.045 38.219 38.487 -0.372 0.000 1.012 149 N HN 0.444 nan 8.380 nan 0.000 0.423 150 V N 0.111 119.901 119.914 -0.207 0.000 2.358 150 V HA -0.097 4.022 4.120 -0.000 0.000 0.246 150 V C 2.153 178.252 176.094 0.009 0.000 1.047 150 V CA 2.019 64.252 62.300 -0.111 0.000 1.035 150 V CB -1.063 30.701 31.823 -0.098 0.000 0.658 150 V HN 0.412 nan 8.190 nan 0.000 0.452 151 G N -2.549 106.291 108.800 0.066 0.000 2.813 151 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.209 151 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.209 151 G C 0.467 175.426 174.900 0.098 0.000 1.150 151 G CA -0.239 44.956 45.100 0.157 0.000 0.785 151 G HN 0.442 nan 8.290 nan 0.000 0.535 152 Y N 1.728 121.948 120.300 -0.134 0.000 2.652 152 Y HA 0.009 4.559 4.550 -0.000 0.000 0.344 152 Y C 2.419 178.075 175.900 -0.406 0.000 1.254 152 Y CA 0.200 58.041 58.100 -0.431 0.000 1.480 152 Y CB 0.772 39.066 38.460 -0.276 0.000 1.345 152 Y HN 0.225 nan 8.280 nan 0.000 0.617 153 R N 0.932 120.988 120.500 -0.741 0.000 2.159 153 R HA -0.224 4.116 4.340 -0.000 0.000 0.237 153 R C 0.836 176.918 176.300 -0.363 0.000 1.131 153 R CA 2.257 58.021 56.100 -0.560 0.000 0.982 153 R CB -0.714 29.123 30.300 -0.773 0.000 0.868 153 R HN 0.759 nan 8.270 nan 0.000 0.453 154 H N -0.011 119.057 119.070 -0.004 0.000 2.529 154 H HA 0.123 4.679 4.556 -0.000 0.000 0.277 154 H C 1.900 177.382 175.328 0.257 0.000 0.999 154 H CA 1.166 57.325 56.048 0.185 0.000 1.256 154 H CB 0.365 30.314 29.762 0.311 0.000 1.402 154 H HN 0.253 nan 8.280 nan 0.000 0.566 155 S N -0.999 114.864 115.700 0.272 0.000 2.460 155 S HA -0.047 4.423 4.470 -0.000 0.000 0.185 155 S C 2.092 176.788 174.600 0.159 0.000 0.908 155 S CA 0.900 59.221 58.200 0.202 0.000 0.894 155 S CB -0.370 62.920 63.200 0.150 0.000 0.855 155 S HN 0.345 nan 8.310 nan 0.000 0.574 156 T N 1.150 115.805 114.554 0.169 0.000 2.674 156 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 156 T C 1.596 176.434 174.700 0.230 0.000 1.039 156 T CA 1.827 64.105 62.100 0.296 0.000 1.150 156 T CB -0.747 68.385 68.868 0.440 0.000 0.864 156 T HN 0.524 nan 8.240 nan 0.000 0.427 157 Y N 1.000 121.278 120.300 -0.037 0.000 2.081 157 Y HA -0.206 4.344 4.550 -0.000 0.000 0.280 157 Y C 1.988 177.664 175.900 -0.373 0.000 1.163 157 Y CA 1.348 59.244 58.100 -0.339 0.000 1.135 157 Y CB -0.722 37.339 38.460 -0.664 0.000 0.970 157 Y HN 0.274 nan 8.280 nan 0.000 0.498 158 F N -0.133 119.686 119.950 -0.218 0.000 2.146 158 F HA -0.194 4.332 4.527 -0.000 0.000 0.298 158 F C 2.826 178.469 175.800 -0.262 0.000 1.096 158 F CA 1.082 58.894 58.000 -0.314 0.000 1.275 158 F CB -0.315 38.616 39.000 -0.115 0.000 1.008 158 F HN -0.033 nan 8.300 nan 0.000 0.480 159 R N 0.052 120.619 120.500 0.112 0.000 2.091 159 R HA -0.240 4.100 4.340 -0.000 0.000 0.238 159 R C 2.209 178.581 176.300 0.120 0.000 1.136 159 R CA 1.864 58.047 56.100 0.138 0.000 0.959 159 R CB -0.534 29.889 30.300 0.205 0.000 0.856 159 R HN 0.325 nan 8.270 nan 0.000 0.437 160 F N 0.493 120.330 119.950 -0.189 0.000 2.118 160 F HA -0.117 4.410 4.527 -0.000 0.000 0.293 160 F C 2.102 177.471 175.800 -0.718 0.000 1.102 160 F CA 1.134 58.749 58.000 -0.642 0.000 1.247 160 F CB -0.124 38.060 39.000 -1.360 0.000 1.017 160 F HN -0.077 nan 8.300 nan 0.000 0.475 161 M N 0.746 119.737 119.600 -1.016 0.000 2.149 161 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 161 M C 1.768 177.629 176.300 -0.731 0.000 1.064 161 M CA 1.584 56.131 55.300 -1.255 0.000 1.102 161 M CB -1.908 29.512 32.600 -1.966 0.000 1.369 161 M HN 0.344 nan 8.290 nan 0.000 0.408 162 N N -0.383 118.092 118.700 -0.375 0.000 2.364 162 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 162 N C 1.581 176.995 175.510 -0.159 0.000 1.022 162 N CA 0.834 53.828 53.050 -0.094 0.000 0.883 162 N CB -0.049 38.379 38.487 -0.098 0.000 0.965 162 N HN 0.357 nan 8.380 nan 0.000 0.438 163 M N -0.428 118.984 119.600 -0.314 0.000 2.509 163 M HA 0.107 4.587 4.480 -0.000 0.000 0.250 163 M C 1.712 177.798 176.300 -0.356 0.000 1.132 163 M CA 0.356 55.489 55.300 -0.278 0.000 1.080 163 M CB 0.387 32.835 32.600 -0.254 0.000 1.408 163 M HN 0.223 nan 8.290 nan 0.000 0.484 164 M N -0.790 118.500 119.600 -0.517 0.000 2.755 164 M HA 0.234 4.714 4.480 -0.000 0.000 0.247 164 M C 1.181 177.396 176.300 -0.142 0.000 1.275 164 M CA 1.294 56.336 55.300 -0.431 0.000 1.252 164 M CB -0.314 31.812 32.600 -0.790 0.000 1.215 164 M HN 0.154 nan 8.290 nan 0.000 0.527 165 G N -0.421 108.355 108.800 -0.040 0.000 3.410 165 G HA2 0.557 4.517 3.960 -0.000 0.000 0.189 165 G HA3 0.557 4.517 3.960 -0.000 0.000 0.189 165 G C -0.818 174.238 174.900 0.261 0.000 1.404 165 G CA -0.016 45.201 45.100 0.194 0.000 0.898 165 G HN 0.545 nan 8.290 nan 0.000 0.650 166 F N -3.168 116.746 119.950 -0.061 0.000 2.878 166 F HA 0.576 5.103 4.527 -0.000 0.000 0.322 166 F C -1.242 174.569 175.800 0.018 0.000 1.154 166 F CA -1.134 56.864 58.000 -0.004 0.000 0.896 166 F CB 1.197 40.182 39.000 -0.024 0.000 1.313 166 F HN 0.374 nan 8.300 nan 0.000 0.451 167 T N 2.198 116.727 114.554 -0.041 0.000 2.743 167 T HA 0.291 4.641 4.350 -0.000 0.000 0.292 167 T C -1.472 173.236 174.700 0.013 0.000 0.972 167 T CA -0.171 61.844 62.100 -0.142 0.000 0.967 167 T CB 0.103 68.963 68.868 -0.014 0.000 0.926 167 T HN 0.545 nan 8.240 nan 0.000 0.459 168 Y N 2.928 123.043 120.300 -0.308 0.000 2.299 168 Y HA 0.522 5.072 4.550 -0.000 0.000 0.326 168 Y C 0.108 176.042 175.900 0.056 0.000 1.164 168 Y CA -1.849 56.264 58.100 0.022 0.000 1.234 168 Y CB 0.756 39.195 38.460 -0.034 0.000 1.219 168 Y HN 0.650 nan 8.280 nan 0.000 0.497 169 A N 5.892 128.534 122.820 -0.296 0.000 2.910 169 A HA 0.187 4.507 4.320 -0.000 0.000 0.316 169 A C -0.221 176.991 177.584 -0.620 0.000 1.493 169 A CA -0.619 51.223 52.037 -0.325 0.000 1.150 169 A CB -0.821 18.076 19.000 -0.172 0.000 1.159 169 A HN 0.770 nan 8.150 nan 0.000 0.526 170 D N 1.513 121.630 120.400 -0.471 0.000 2.506 170 D HA -0.020 4.620 4.640 -0.000 0.000 0.234 170 D C -0.019 176.179 176.300 -0.171 0.000 1.143 170 D CA 0.771 54.513 54.000 -0.430 0.000 0.871 170 D CB 0.413 41.171 40.800 -0.070 0.000 1.190 170 D HN 0.538 nan 8.370 nan 0.000 0.459 171 H N 2.414 121.390 119.070 -0.157 0.000 2.610 171 H HA 0.110 4.666 4.556 -0.000 0.000 0.336 171 H C 0.609 176.089 175.328 0.254 0.000 1.087 171 H CA -0.492 55.560 56.048 0.006 0.000 1.405 171 H CB 0.346 30.124 29.762 0.026 0.000 1.460 171 H HN 0.394 nan 8.280 nan 0.000 0.538 172 N N 3.982 122.925 118.700 0.404 0.000 2.453 172 N HA 0.029 4.769 4.740 -0.000 0.000 0.253 172 N C -2.512 173.308 175.510 0.517 0.000 1.252 172 N CA -1.441 51.864 53.050 0.425 0.000 0.917 172 N CB 0.818 39.508 38.487 0.338 0.000 1.117 172 N HN 0.303 nan 8.380 nan 0.000 0.442 173 P HA 0.060 nan 4.420 nan 0.000 0.230 173 P C -0.135 177.334 177.300 0.282 0.000 1.791 173 P CA -0.230 62.833 63.100 -0.062 0.000 1.020 173 P CB -0.212 31.032 31.700 -0.761 0.000 1.977 174 D N 0.569 121.150 120.400 0.302 0.000 2.177 174 D HA -0.254 4.386 4.640 -0.000 0.000 0.189 174 D C 1.529 177.860 176.300 0.052 0.000 1.002 174 D CA 1.802 55.906 54.000 0.173 0.000 0.845 174 D CB -1.408 39.447 40.800 0.092 0.000 0.960 174 D HN 0.116 nan 8.370 nan 0.000 0.447 175 S N -0.916 114.669 115.700 -0.191 0.000 2.387 175 S HA -0.145 4.325 4.470 -0.000 0.000 0.230 175 S C 1.543 175.760 174.600 -0.639 0.000 1.035 175 S CA 1.331 59.005 58.200 -0.878 0.000 1.014 175 S CB -0.435 61.644 63.200 -1.868 0.000 0.836 175 S HN 0.476 nan 8.310 nan 0.000 0.466 176 W N 0.994 122.322 121.300 0.048 0.000 3.013 176 W HA 0.208 4.868 4.660 -0.000 0.000 0.280 176 W C 1.388 178.126 176.519 0.365 0.000 1.249 176 W CA -0.458 57.081 57.345 0.322 0.000 1.577 176 W CB -0.355 29.234 29.460 0.216 0.000 1.057 176 W HN 0.213 nan 8.180 nan 0.000 0.613 177 E N 0.818 121.319 120.200 0.502 0.000 2.654 177 E HA -0.323 4.027 4.350 -0.000 0.000 0.247 177 E C 2.095 179.019 176.600 0.539 0.000 0.985 177 E CA 2.526 59.251 56.400 0.542 0.000 1.260 177 E CB -1.522 28.412 29.700 0.390 0.000 1.214 177 E HN 0.324 nan 8.360 nan 0.000 0.499 178 G N 0.064 109.067 108.800 0.338 0.000 2.529 178 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 178 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 178 G C 1.440 176.368 174.900 0.046 0.000 1.177 178 G CA 1.334 46.502 45.100 0.113 0.000 0.773 178 G HN 0.359 nan 8.290 nan 0.000 0.573 179 W N -0.387 121.041 121.300 0.214 0.000 2.402 179 W HA 0.077 4.737 4.660 -0.000 0.000 0.286 179 W C 2.398 178.980 176.519 0.105 0.000 1.221 179 W CA 0.803 58.229 57.345 0.135 0.000 1.257 179 W CB -0.486 29.099 29.460 0.208 0.000 1.120 179 W HN 0.289 nan 8.180 nan 0.000 0.551 180 H N -1.219 118.001 119.070 0.249 0.000 2.284 180 H HA -0.144 4.412 4.556 -0.000 0.000 0.304 180 H C 1.160 176.372 175.328 -0.193 0.000 1.069 180 H CA 2.040 58.022 56.048 -0.110 0.000 1.327 180 H CB -0.769 28.810 29.762 -0.306 0.000 1.387 180 H HN 0.206 nan 8.280 nan 0.000 0.498 181 W N 0.283 121.765 121.300 0.303 0.000 3.139 181 W HA 0.231 4.891 4.660 -0.000 0.000 0.260 181 W C 2.129 178.798 176.519 0.250 0.000 1.312 181 W CA 0.489 57.994 57.345 0.266 0.000 1.606 181 W CB 0.231 29.865 29.460 0.290 0.000 1.118 181 W HN 0.289 nan 8.180 nan 0.000 0.675 182 G N -0.765 108.228 108.800 0.321 0.000 2.639 182 G HA2 0.122 4.081 3.960 -0.000 0.000 0.201 182 G HA3 0.122 4.081 3.960 -0.000 0.000 0.201 182 G C 1.603 176.538 174.900 0.059 0.000 1.260 182 G CA 0.343 45.569 45.100 0.210 0.000 0.749 182 G HN 0.146 nan 8.290 nan 0.000 0.611 183 G N 1.036 109.782 108.800 -0.089 0.000 2.469 183 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 183 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 183 G C 1.774 176.673 174.900 -0.002 0.000 1.136 183 G CA 1.310 46.298 45.100 -0.187 0.000 0.759 183 G HN 0.349 nan 8.290 nan 0.000 0.562 184 M N -0.034 119.564 119.600 -0.004 0.000 2.106 184 M HA -0.142 4.338 4.480 -0.000 0.000 0.259 184 M C 2.325 178.529 176.300 -0.161 0.000 1.068 184 M CA 1.474 56.703 55.300 -0.117 0.000 1.100 184 M CB -0.284 32.043 32.600 -0.454 0.000 1.351 184 M HN 0.337 nan 8.290 nan 0.000 0.404 185 H N -1.218 117.845 119.070 -0.011 0.000 2.521 185 H HA -0.102 4.454 4.556 -0.000 0.000 0.286 185 H C 1.882 177.210 175.328 -0.001 0.000 1.034 185 H CA 1.512 57.554 56.048 -0.010 0.000 1.278 185 H CB -0.296 29.461 29.762 -0.008 0.000 1.386 185 H HN 0.535 nan 8.280 nan 0.000 0.567 186 M N -0.027 119.604 119.600 0.051 0.000 2.447 186 M HA -0.044 4.436 4.480 -0.000 0.000 0.266 186 M C 0.864 177.208 176.300 0.073 0.000 1.120 186 M CA 0.977 56.246 55.300 -0.051 0.000 1.166 186 M CB 0.460 32.870 32.600 -0.317 0.000 1.349 186 M HN 0.307 nan 8.290 nan 0.000 0.463 187 W N -0.331 120.917 121.300 -0.087 0.000 2.055 187 W HA 0.613 5.273 4.660 -0.000 0.000 0.293 187 W C 0.250 176.708 176.519 -0.101 0.000 0.886 187 W CA -0.302 56.995 57.345 -0.080 0.000 1.384 187 W CB -1.244 28.198 29.460 -0.031 0.000 1.068 187 W HN 0.433 nan 8.180 nan 0.000 0.513 188 G N 2.102 111.012 108.800 0.183 0.000 2.523 188 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.271 188 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.271 188 G C 0.330 175.068 174.900 -0.271 0.000 1.146 188 G CA 0.783 45.820 45.100 -0.106 0.000 0.961 188 G HN 0.595 nan 8.290 nan 0.000 0.549 189 F N 0.588 120.023 119.950 -0.857 0.000 3.091 189 F HA -0.234 4.293 4.527 -0.000 0.000 0.288 189 F C 2.256 177.307 175.800 -1.248 0.000 0.907 189 F CA 1.671 58.663 58.000 -1.679 0.000 1.028 189 F CB -1.848 36.425 39.000 -1.211 0.000 1.022 189 F HN 1.316 nan 8.300 nan 0.000 0.665 190 S N -0.356 114.966 115.700 -0.631 0.000 2.383 190 S HA -0.256 4.214 4.470 -0.000 0.000 0.229 190 S C 1.565 176.028 174.600 -0.229 0.000 1.030 190 S CA 1.394 59.390 58.200 -0.341 0.000 1.002 190 S CB -0.859 62.243 63.200 -0.164 0.000 0.829 190 S HN 0.736 nan 8.310 nan 0.000 0.467 191 W N 1.287 122.595 121.300 0.015 0.000 2.721 191 W HA 0.330 4.990 4.660 -0.000 0.000 0.245 191 W C 1.693 178.294 176.519 0.137 0.000 1.276 191 W CA -0.025 57.406 57.345 0.142 0.000 1.342 191 W CB -0.224 29.322 29.460 0.142 0.000 1.135 191 W HN 0.096 nan 8.180 nan 0.000 0.654 192 R N 0.685 120.876 120.500 -0.515 0.000 2.543 192 R HA 0.265 4.604 4.340 -0.000 0.000 0.323 192 R C 0.595 176.638 176.300 -0.428 0.000 1.002 192 R CA -0.209 55.670 56.100 -0.367 0.000 1.106 192 R CB -0.100 29.913 30.300 -0.478 0.000 1.280 192 R HN 0.178 nan 8.270 nan 0.000 0.549 193 L N 0.162 121.051 121.223 -0.556 0.000 3.839 193 L HA -0.322 4.017 4.340 -0.000 0.000 0.416 193 L C 0.786 177.494 176.870 -0.269 0.000 1.195 193 L CA 0.843 55.295 54.840 -0.647 0.000 0.946 193 L CB -1.773 39.463 42.059 -1.372 0.000 1.891 193 L HN 0.658 nan 8.230 nan 0.000 0.963 194 G N -2.394 106.298 108.800 -0.180 0.000 2.238 194 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 194 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 194 G C 0.220 175.229 174.900 0.181 0.000 0.996 194 G CA 0.137 45.332 45.100 0.158 0.000 0.632 194 G HN 0.351 nan 8.290 nan 0.000 0.503 195 N N 2.305 120.887 118.700 -0.198 0.000 2.513 195 N HA 0.523 5.263 4.740 -0.000 0.000 0.274 195 N C -2.352 172.550 175.510 -1.013 0.000 1.189 195 N CA -1.125 51.590 53.050 -0.557 0.000 0.975 195 N CB 1.531 39.676 38.487 -0.570 0.000 1.157 195 N HN 0.261 nan 8.380 nan 0.000 0.465 196 P HA 0.152 nan 4.420 nan 0.000 0.279 196 P C -0.520 176.243 177.300 -0.895 0.000 1.252 196 P CA -0.407 61.730 63.100 -1.605 0.000 0.811 196 P CB 1.075 32.217 31.700 -0.931 0.000 1.035 197 E N 1.243 121.096 120.200 -0.577 0.000 2.392 197 E HA 0.093 4.443 4.350 -0.000 0.000 0.256 197 E C 0.147 176.598 176.600 -0.248 0.000 1.145 197 E CA -0.526 55.750 56.400 -0.207 0.000 0.929 197 E CB 0.271 30.155 29.700 0.306 0.000 0.998 197 E HN 0.314 nan 8.360 nan 0.000 0.442 198 Q N 0.645 120.213 119.800 -0.387 0.000 2.064 198 Q HA 0.086 4.426 4.340 -0.000 0.000 0.213 198 Q C -0.875 175.004 176.000 -0.202 0.000 0.779 198 Q CA -0.293 55.367 55.803 -0.238 0.000 1.032 198 Q CB 0.291 28.896 28.738 -0.221 0.000 1.203 198 Q HN 0.554 nan 8.270 nan 0.000 0.457 199 Y N 2.175 122.414 120.300 -0.103 0.000 2.903 199 Y HA -0.174 4.376 4.550 -0.000 0.000 0.338 199 Y C 1.095 177.021 175.900 0.044 0.000 1.265 199 Y CA 0.619 58.676 58.100 -0.073 0.000 1.532 199 Y CB 0.182 38.590 38.460 -0.087 0.000 1.293 199 Y HN 0.166 nan 8.280 nan 0.000 0.609 200 D N 1.343 121.937 120.400 0.324 0.000 2.782 200 D HA -0.265 4.375 4.640 -0.000 0.000 0.231 200 D C 0.893 177.141 176.300 -0.087 0.000 1.163 200 D CA 0.880 54.956 54.000 0.126 0.000 0.680 200 D CB -0.777 40.122 40.800 0.164 0.000 1.062 200 D HN 0.640 nan 8.370 nan 0.000 0.425 201 L N -0.543 120.535 121.223 -0.241 0.000 2.270 201 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 201 L C 2.455 178.717 176.870 -1.013 0.000 1.104 201 L CA 0.154 54.600 54.840 -0.657 0.000 0.804 201 L CB -0.101 41.377 42.059 -0.968 0.000 0.937 201 L HN 0.140 nan 8.230 nan 0.000 0.450 202 L N 0.528 121.402 121.223 -0.582 0.000 2.012 202 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 202 L C 2.413 179.077 176.870 -0.343 0.000 1.073 202 L CA 2.113 56.735 54.840 -0.364 0.000 0.748 202 L CB -0.521 41.485 42.059 -0.089 0.000 0.891 202 L HN 0.318 nan 8.230 nan 0.000 0.431 203 E N -1.157 118.886 120.200 -0.261 0.000 2.106 203 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 203 E C 1.870 178.364 176.600 -0.175 0.000 0.984 203 E CA 1.259 57.561 56.400 -0.164 0.000 0.806 203 E CB -0.166 29.475 29.700 -0.099 0.000 0.750 203 E HN 0.649 nan 8.360 nan 0.000 0.458 204 D N -0.473 119.801 120.400 -0.210 0.000 2.104 204 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 204 D C 1.890 178.128 176.300 -0.104 0.000 0.994 204 D CA 1.818 55.786 54.000 -0.053 0.000 0.830 204 D CB -0.554 40.217 40.800 -0.048 0.000 0.959 204 D HN 0.286 nan 8.370 nan 0.000 0.452 205 G N 0.257 108.733 108.800 -0.541 0.000 2.421 205 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 205 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 205 G C 1.781 176.595 174.900 -0.143 0.000 1.171 205 G CA 0.613 45.378 45.100 -0.559 0.000 0.775 205 G HN 0.345 nan 8.290 nan 0.000 0.543 206 L N -0.174 120.959 121.223 -0.150 0.000 2.127 206 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 206 L C 2.911 179.733 176.870 -0.079 0.000 1.089 206 L CA 1.284 56.053 54.840 -0.118 0.000 0.757 206 L CB -0.206 41.724 42.059 -0.215 0.000 0.899 206 L HN 0.211 nan 8.230 nan 0.000 0.434 207 K N -1.559 118.743 120.400 -0.164 0.000 2.211 207 K HA -0.000 4.319 4.320 -0.000 0.000 0.201 207 K C 1.501 177.843 176.600 -0.430 0.000 1.052 207 K CA 0.693 56.779 56.287 -0.336 0.000 0.973 207 K CB 0.207 32.362 32.500 -0.574 0.000 0.766 207 K HN 0.409 nan 8.250 nan 0.000 0.466 208 H N -1.176 117.963 119.070 0.114 0.000 3.170 208 H HA 0.277 4.833 4.556 -0.000 0.000 0.264 208 H C 0.162 175.641 175.328 0.251 0.000 1.113 208 H CA -0.186 55.961 56.048 0.164 0.000 1.194 208 H CB 0.482 30.344 29.762 0.167 0.000 1.553 208 H HN 0.019 nan 8.280 nan 0.000 0.538 209 A N 1.451 124.502 122.820 0.385 0.000 2.511 209 A HA 0.114 4.434 4.320 -0.000 0.000 0.242 209 A C 0.810 178.556 177.584 0.269 0.000 1.069 209 A CA 0.234 52.529 52.037 0.431 0.000 0.763 209 A CB 0.577 19.765 19.000 0.315 0.000 1.001 209 A HN 0.430 nan 8.150 nan 0.000 0.498 210 E N 0.612 120.959 120.200 0.244 0.000 2.467 210 E HA 0.250 4.600 4.350 -0.000 0.000 0.213 210 E C -0.123 176.557 176.600 0.135 0.000 0.823 210 E CA 0.202 56.696 56.400 0.156 0.000 1.233 210 E CB 0.622 30.397 29.700 0.126 0.000 1.233 210 E HN 0.776 nan 8.360 nan 0.000 0.585 211 M N 1.172 120.867 119.600 0.157 0.000 2.414 211 M HA 0.399 4.879 4.480 -0.000 0.000 0.287 211 M C -2.198 174.156 176.300 0.089 0.000 1.181 211 M CA -0.379 54.989 55.300 0.114 0.000 0.933 211 M CB 2.204 34.826 32.600 0.036 0.000 1.732 211 M HN -0.126 nan 8.290 nan 0.000 0.486 212 I N 3.962 124.579 120.570 0.079 0.000 2.466 212 I HA 0.435 4.605 4.170 -0.000 0.000 0.289 212 I C -0.943 174.921 176.117 -0.420 0.000 1.026 212 I CA -1.026 60.150 61.300 -0.208 0.000 1.078 212 I CB 2.215 39.987 38.000 -0.380 0.000 1.249 212 I HN 0.366 nan 8.210 nan 0.000 0.429 213 V N 6.875 126.446 119.914 -0.571 0.000 2.304 213 V HA 0.263 4.383 4.120 -0.000 0.000 0.269 213 V C -0.363 175.448 176.094 -0.471 0.000 1.036 213 V CA -0.356 61.642 62.300 -0.503 0.000 0.840 213 V CB 0.275 31.729 31.823 -0.615 0.000 1.036 213 V HN 0.383 nan 8.190 nan 0.000 0.466 214 F N 4.473 124.145 119.950 -0.464 0.000 2.439 214 F HA 0.258 4.785 4.527 -0.000 0.000 0.356 214 F C 0.250 176.035 175.800 -0.026 0.000 1.161 214 F CA -0.117 57.661 58.000 -0.371 0.000 1.151 214 F CB 0.408 38.849 39.000 -0.931 0.000 1.222 214 F HN 0.487 nan 8.300 nan 0.000 0.558 215 W N 4.145 125.545 121.300 0.166 0.000 2.294 215 W HA 0.268 4.928 4.660 -0.000 0.000 0.314 215 W C 0.699 177.458 176.519 0.399 0.000 1.044 215 W CA -1.169 56.377 57.345 0.336 0.000 1.284 215 W CB 1.322 31.065 29.460 0.471 0.000 1.231 215 W HN 0.518 nan 8.180 nan 0.000 0.419 216 S N 3.587 119.641 115.700 0.591 0.000 3.682 216 S HA -0.226 4.243 4.470 -0.000 0.000 0.354 216 S C -0.306 174.473 174.600 0.298 0.000 1.034 216 S CA 1.392 59.774 58.200 0.303 0.000 1.084 216 S CB -1.252 61.912 63.200 -0.061 0.000 0.903 216 S HN 0.589 nan 8.310 nan 0.000 0.470 217 S N 0.839 116.739 115.700 0.334 0.000 2.647 217 S HA 0.573 5.043 4.470 -0.000 0.000 0.300 217 S C -1.350 173.403 174.600 0.254 0.000 1.129 217 S CA -0.449 57.925 58.200 0.289 0.000 1.029 217 S CB 1.733 65.135 63.200 0.337 0.000 1.007 217 S HN 0.402 nan 8.310 nan 0.000 0.484 218 D N 5.397 125.884 120.400 0.144 0.000 2.502 218 D HA 0.422 5.062 4.640 -0.000 0.000 0.301 218 D C -1.882 174.436 176.300 0.031 0.000 1.202 218 D CA -2.085 51.957 54.000 0.070 0.000 0.878 218 D CB 1.453 42.278 40.800 0.042 0.000 1.062 218 D HN 0.225 nan 8.370 nan 0.000 0.499 219 P HA -0.186 nan 4.420 nan 0.000 0.215 219 P C 1.303 178.590 177.300 -0.023 0.000 1.163 219 P CA 1.120 64.208 63.100 -0.020 0.000 0.894 219 P CB 0.467 32.134 31.700 -0.055 0.000 0.791 220 E N -0.851 119.345 120.200 -0.005 0.000 2.049 220 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 220 E C 2.057 178.704 176.600 0.078 0.000 1.007 220 E CA 1.651 58.108 56.400 0.094 0.000 0.809 220 E CB -1.459 28.284 29.700 0.072 0.000 0.749 220 E HN 0.275 nan 8.360 nan 0.000 0.450 221 T N 2.125 116.696 114.554 0.028 0.000 2.668 221 T HA -0.077 4.273 4.350 -0.000 0.000 0.262 221 T C 1.621 176.262 174.700 -0.100 0.000 1.045 221 T CA 1.306 63.386 62.100 -0.034 0.000 1.152 221 T CB -0.161 68.723 68.868 0.028 0.000 0.864 221 T HN 0.154 nan 8.240 nan 0.000 0.419 222 N N 0.912 119.570 118.700 -0.070 0.000 2.290 222 N HA -0.049 4.691 4.740 -0.000 0.000 0.179 222 N C 1.380 176.832 175.510 -0.096 0.000 1.016 222 N CA 1.212 54.213 53.050 -0.081 0.000 0.871 222 N CB -0.067 38.390 38.487 -0.050 0.000 0.987 222 N HN 0.541 nan 8.380 nan 0.000 0.431 223 S N -1.244 114.399 115.700 -0.095 0.000 3.270 223 S HA -0.225 4.245 4.470 -0.000 0.000 0.293 223 S C 1.094 175.645 174.600 -0.082 0.000 1.278 223 S CA 2.057 60.190 58.200 -0.111 0.000 1.038 223 S CB -1.943 61.147 63.200 -0.182 0.000 1.218 223 S HN 0.816 nan 8.310 nan 0.000 0.659 224 G N 1.127 109.903 108.800 -0.039 0.000 5.259 224 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.288 224 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.288 224 G C 0.038 174.980 174.900 0.071 0.000 1.534 224 G CA 0.063 45.152 45.100 -0.019 0.000 1.031 224 G HN 1.945 nan 8.290 nan 0.000 0.724 225 I N -1.745 118.803 120.570 -0.037 0.000 2.661 225 I HA 0.355 4.525 4.170 -0.000 0.000 0.290 225 I C 0.478 176.504 176.117 -0.152 0.000 1.734 225 I CA -0.190 60.989 61.300 -0.202 0.000 1.018 225 I CB 0.580 38.426 38.000 -0.257 0.000 1.532 225 I HN 1.145 nan 8.210 nan 0.000 0.488 226 Y N 3.235 123.550 120.300 0.026 0.000 4.705 226 Y HA -0.320 4.230 4.550 -0.000 0.000 0.226 226 Y C 1.091 176.999 175.900 0.014 0.000 1.039 226 Y CA 0.784 58.846 58.100 -0.063 0.000 1.968 226 Y CB -1.734 36.632 38.460 -0.157 0.000 1.614 226 Y HN 0.645 nan 8.280 nan 0.000 0.619 227 A N 0.252 123.115 122.820 0.071 0.000 2.610 227 A HA 0.587 4.907 4.320 -0.000 0.000 0.286 227 A C 1.759 179.335 177.584 -0.012 0.000 1.306 227 A CA 0.806 52.837 52.037 -0.010 0.000 0.942 227 A CB -0.774 18.137 19.000 -0.148 0.000 1.112 227 A HN 1.154 nan 8.150 nan 0.000 0.527 228 G N 0.612 109.363 108.800 -0.081 0.000 2.699 228 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.347 228 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.347 228 G C 0.273 174.793 174.900 -0.632 0.000 1.225 228 G CA 1.447 46.341 45.100 -0.343 0.000 0.973 228 G HN 0.777 nan 8.290 nan 0.000 0.551 229 F N 1.412 121.357 119.950 -0.008 0.000 2.790 229 F HA 0.381 4.908 4.527 -0.000 0.000 0.371 229 F C 1.550 177.329 175.800 -0.035 0.000 1.293 229 F CA -0.122 57.850 58.000 -0.048 0.000 1.205 229 F CB 1.090 40.046 39.000 -0.074 0.000 1.047 229 F HN 0.231 nan 8.300 nan 0.000 0.510 230 E N 0.282 120.535 120.200 0.089 0.000 2.118 230 E HA -0.172 4.177 4.350 -0.000 0.000 0.195 230 E C 2.148 178.765 176.600 0.028 0.000 0.992 230 E CA 1.711 58.151 56.400 0.067 0.000 0.804 230 E CB -0.138 29.561 29.700 -0.003 0.000 0.741 230 E HN 0.418 nan 8.360 nan 0.000 0.458 231 S N 0.770 116.468 115.700 -0.003 0.000 2.593 231 S HA -0.019 4.451 4.470 -0.000 0.000 0.217 231 S C 1.544 176.088 174.600 -0.093 0.000 0.966 231 S CA 0.224 58.395 58.200 -0.047 0.000 0.914 231 S CB -0.131 63.029 63.200 -0.065 0.000 0.776 231 S HN 0.155 nan 8.310 nan 0.000 0.523 232 N N 2.477 121.142 118.700 -0.058 0.000 2.061 232 N HA -0.152 4.588 4.740 -0.000 0.000 0.193 232 N C 1.670 177.058 175.510 -0.202 0.000 1.030 232 N CA 1.818 54.809 53.050 -0.098 0.000 0.856 232 N CB -0.415 38.030 38.487 -0.069 0.000 1.023 232 N HN 0.596 nan 8.380 nan 0.000 0.424 233 I N 0.914 121.304 120.570 -0.301 0.000 2.454 233 I HA -0.213 3.957 4.170 -0.000 0.000 0.254 233 I C 2.282 177.825 176.117 -0.956 0.000 1.156 233 I CA 0.797 61.751 61.300 -0.576 0.000 1.433 233 I CB -0.033 37.591 38.000 -0.627 0.000 1.082 233 I HN 0.182 nan 8.210 nan 0.000 0.432 234 R N 0.252 120.356 120.500 -0.661 0.000 2.073 234 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 234 R C 2.356 178.606 176.300 -0.084 0.000 1.134 234 R CA 1.364 57.238 56.100 -0.376 0.000 0.952 234 R CB -0.349 29.909 30.300 -0.070 0.000 0.850 234 R HN 0.350 nan 8.270 nan 0.000 0.433 235 R N 0.234 120.684 120.500 -0.082 0.000 2.148 235 R HA -0.117 4.223 4.340 -0.000 0.000 0.223 235 R C 2.270 178.691 176.300 0.202 0.000 1.088 235 R CA 0.982 57.127 56.100 0.075 0.000 0.985 235 R CB -0.065 30.189 30.300 -0.076 0.000 0.880 235 R HN 0.122 nan 8.270 nan 0.000 0.451 236 Q N 0.031 119.841 119.800 0.017 0.000 2.084 236 Q HA -0.164 4.175 4.340 -0.000 0.000 0.202 236 Q C 1.428 177.547 176.000 0.199 0.000 0.978 236 Q CA 1.552 57.388 55.803 0.054 0.000 0.844 236 Q CB -0.066 28.625 28.738 -0.078 0.000 0.898 236 Q HN 0.299 nan 8.270 nan 0.000 0.426 237 W N 0.275 121.645 121.300 0.117 0.000 2.355 237 W HA -0.073 4.587 4.660 -0.000 0.000 0.309 237 W C 1.962 178.511 176.519 0.049 0.000 1.206 237 W CA 0.657 58.050 57.345 0.080 0.000 1.284 237 W CB -1.104 28.254 29.460 -0.170 0.000 1.145 237 W HN 0.230 nan 8.180 nan 0.000 0.502 238 L N 0.342 121.759 121.223 0.324 0.000 1.989 238 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 238 L C 2.578 179.564 176.870 0.194 0.000 1.071 238 L CA 1.826 56.839 54.840 0.289 0.000 0.749 238 L CB -1.083 41.246 42.059 0.449 0.000 0.890 238 L HN -0.072 nan 8.230 nan 0.000 0.431 239 K N 0.109 120.622 120.400 0.188 0.000 2.074 239 K HA -0.226 4.093 4.320 -0.000 0.000 0.209 239 K C 1.462 178.059 176.600 -0.005 0.000 1.048 239 K CA 1.941 58.169 56.287 -0.099 0.000 0.926 239 K CB -0.042 32.463 32.500 0.008 0.000 0.713 239 K HN 0.280 nan 8.250 nan 0.000 0.444 240 D N 0.458 120.929 120.400 0.118 0.000 2.363 240 D HA -0.053 4.587 4.640 -0.000 0.000 0.220 240 D C 1.473 177.856 176.300 0.139 0.000 0.994 240 D CA 0.573 54.653 54.000 0.134 0.000 0.890 240 D CB 0.215 41.139 40.800 0.206 0.000 0.906 240 D HN 0.291 nan 8.370 nan 0.000 0.530 241 L N -0.754 120.554 121.223 0.142 0.000 2.567 241 L HA 0.180 4.520 4.340 -0.000 0.000 0.225 241 L C 1.337 178.253 176.870 0.078 0.000 1.119 241 L CA 0.362 55.283 54.840 0.136 0.000 0.871 241 L CB 0.260 42.412 42.059 0.155 0.000 1.036 241 L HN 0.105 nan 8.230 nan 0.000 0.459 242 G N 0.109 108.928 108.800 0.031 0.000 2.134 242 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.209 242 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.209 242 G C 0.066 174.947 174.900 -0.032 0.000 0.993 242 G CA -0.179 44.919 45.100 -0.003 0.000 0.669 242 G HN 0.038 nan 8.290 nan 0.000 0.519 243 V N 1.674 121.550 119.914 -0.063 0.000 2.508 243 V HA 0.343 4.463 4.120 -0.000 0.000 0.281 243 V C 0.281 176.206 176.094 -0.282 0.000 1.041 243 V CA -0.618 61.649 62.300 -0.055 0.000 1.016 243 V CB 1.291 33.183 31.823 0.115 0.000 0.984 243 V HN 0.278 nan 8.190 nan 0.000 0.478 244 D N 4.239 124.579 120.400 -0.099 0.000 2.302 244 D HA 0.386 5.026 4.640 -0.000 0.000 0.248 244 D C -0.489 175.887 176.300 0.128 0.000 1.094 244 D CA 0.251 54.194 54.000 -0.095 0.000 0.897 244 D CB 1.190 41.995 40.800 0.008 0.000 1.200 244 D HN 0.398 nan 8.370 nan 0.000 0.429 245 F N 0.908 120.930 119.950 0.120 0.000 2.449 245 F HA 0.353 4.880 4.527 -0.000 0.000 0.342 245 F C 0.085 175.951 175.800 0.110 0.000 1.127 245 F CA -1.084 57.014 58.000 0.164 0.000 0.975 245 F CB 1.706 40.883 39.000 0.295 0.000 1.146 245 F HN -0.144 nan 8.300 nan 0.000 0.444 246 V N 4.276 124.266 119.914 0.126 0.000 2.495 246 V HA 0.393 4.513 4.120 -0.000 0.000 0.298 246 V C -0.728 175.271 176.094 -0.159 0.000 1.031 246 V CA -0.827 61.469 62.300 -0.006 0.000 0.871 246 V CB 1.834 33.541 31.823 -0.193 0.000 0.988 246 V HN 0.452 nan 8.190 nan 0.000 0.432 247 F N 4.707 124.667 119.950 0.017 0.000 2.444 247 F HA 0.618 5.144 4.527 -0.000 0.000 0.342 247 F C 0.139 175.951 175.800 0.021 0.000 1.121 247 F CA -0.658 57.392 58.000 0.084 0.000 0.997 247 F CB 1.540 40.610 39.000 0.116 0.000 1.130 247 F HN 0.227 nan 8.300 nan 0.000 0.454 248 I N 3.759 124.357 120.570 0.045 0.000 2.359 248 I HA 0.344 4.514 4.170 -0.000 0.000 0.284 248 I C -1.081 175.122 176.117 0.144 0.000 1.018 248 I CA -0.239 60.993 61.300 -0.113 0.000 1.173 248 I CB 1.179 38.691 38.000 -0.813 0.000 1.326 248 I HN 0.471 nan 8.210 nan 0.000 0.462 249 D N 8.058 128.638 120.400 0.300 0.000 2.878 249 D HA 0.219 4.859 4.640 -0.000 0.000 0.211 249 D C -2.370 174.184 176.300 0.424 0.000 1.271 249 D CA -1.488 52.724 54.000 0.353 0.000 0.845 249 D CB 3.121 44.133 40.800 0.352 0.000 1.679 249 D HN 0.011 nan 8.370 nan 0.000 0.536 250 P HA -0.108 nan 4.420 nan 0.000 0.217 250 P C -0.052 177.521 177.300 0.454 0.000 1.148 250 P CA 1.182 64.443 63.100 0.270 0.000 0.828 250 P CB 0.014 31.826 31.700 0.187 0.000 0.783 251 H N -1.006 118.235 119.070 0.285 0.000 2.457 251 H HA 0.357 4.913 4.556 -0.000 0.000 0.335 251 H C -0.269 175.018 175.328 -0.068 0.000 1.115 251 H CA -1.163 54.939 56.048 0.089 0.000 1.219 251 H CB 0.741 30.401 29.762 -0.171 0.000 1.471 251 H HN -0.165 nan 8.280 nan 0.000 0.491 252 M N 6.183 125.308 119.600 -0.791 0.000 2.821 252 M HA -0.001 4.478 4.480 -0.000 0.000 0.305 252 M C -0.417 175.048 176.300 -1.392 0.000 1.466 252 M CA -0.459 53.900 55.300 -1.568 0.000 1.526 252 M CB -0.804 30.589 32.600 -2.012 0.000 1.321 252 M HN 0.668 nan 8.290 nan 0.000 0.492 253 N N 1.788 119.831 118.700 -1.095 0.000 2.231 253 N HA -0.099 4.641 4.740 -0.000 0.000 0.223 253 N C 0.593 175.606 175.510 -0.829 0.000 1.329 253 N CA 0.343 52.808 53.050 -0.976 0.000 0.889 253 N CB 0.254 38.484 38.487 -0.428 0.000 1.125 253 N HN 0.440 nan 8.380 nan 0.000 0.447 254 H N -1.126 117.727 119.070 -0.362 0.000 2.421 254 H HA -0.059 4.496 4.556 -0.000 0.000 0.298 254 H C 1.209 176.330 175.328 -0.345 0.000 1.087 254 H CA 1.859 57.729 56.048 -0.297 0.000 1.330 254 H CB -0.514 29.145 29.762 -0.173 0.000 1.388 254 H HN 0.639 nan 8.280 nan 0.000 0.526 255 T N 0.643 115.018 114.554 -0.298 0.000 2.857 255 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 255 T C 2.328 176.547 174.700 -0.802 0.000 1.048 255 T CA 0.920 62.785 62.100 -0.392 0.000 1.139 255 T CB -0.173 68.531 68.868 -0.274 0.000 0.874 255 T HN 0.439 nan 8.240 nan 0.000 0.455 256 A N 1.903 124.003 122.820 -1.200 0.000 1.930 256 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 256 A C 2.318 179.426 177.584 -0.793 0.000 1.175 256 A CA 0.980 52.085 52.037 -1.553 0.000 0.627 256 A CB -0.403 17.775 19.000 -1.371 0.000 0.815 256 A HN 0.376 nan 8.150 nan 0.000 0.443 257 R N -1.259 118.874 120.500 -0.613 0.000 2.193 257 R HA -0.052 4.288 4.340 -0.000 0.000 0.229 257 R C 1.859 177.994 176.300 -0.276 0.000 1.110 257 R CA 1.226 57.084 56.100 -0.403 0.000 0.988 257 R CB -0.301 29.810 30.300 -0.316 0.000 0.871 257 R HN 0.506 nan 8.270 nan 0.000 0.458 258 L N -0.297 120.755 121.223 -0.284 0.000 2.200 258 L HA -0.003 4.337 4.340 -0.000 0.000 0.200 258 L C 1.428 178.219 176.870 -0.132 0.000 1.072 258 L CA 1.142 55.872 54.840 -0.183 0.000 0.787 258 L CB 0.611 42.571 42.059 -0.166 0.000 0.957 258 L HN -0.003 nan 8.230 nan 0.000 0.459 259 V N -3.135 116.693 119.914 -0.142 0.000 3.199 259 V HA 0.628 4.748 4.120 -0.000 0.000 0.331 259 V C 0.688 176.874 176.094 0.153 0.000 1.446 259 V CA -0.273 62.055 62.300 0.046 0.000 1.120 259 V CB -0.783 31.187 31.823 0.245 0.000 1.051 259 V HN 0.237 nan 8.190 nan 0.000 0.495 260 A N 0.450 123.233 122.820 -0.062 0.000 2.498 260 A HA 0.357 4.677 4.320 -0.000 0.000 0.239 260 A C 0.883 178.568 177.584 0.167 0.000 1.068 260 A CA 0.629 52.738 52.037 0.120 0.000 0.766 260 A CB 0.096 19.012 19.000 -0.140 0.000 1.003 260 A HN 0.483 nan 8.150 nan 0.000 0.497 261 D N -0.227 120.321 120.400 0.248 0.000 2.388 261 D HA 0.136 4.776 4.640 -0.000 0.000 0.208 261 D C 0.071 176.462 176.300 0.153 0.000 1.035 261 D CA 0.873 54.959 54.000 0.144 0.000 0.875 261 D CB 0.491 41.354 40.800 0.105 0.000 0.984 261 D HN 0.461 nan 8.370 nan 0.000 0.508 262 K N -0.141 120.384 120.400 0.208 0.000 2.572 262 K HA 0.275 4.595 4.320 -0.000 0.000 0.263 262 K C -2.413 174.358 176.600 0.285 0.000 0.932 262 K CA -0.689 55.720 56.287 0.203 0.000 0.838 262 K CB 1.632 34.204 32.500 0.120 0.000 1.366 262 K HN -0.100 nan 8.250 nan 0.000 0.425 263 W N 6.341 127.709 121.300 0.113 0.000 2.781 263 W HA 0.638 5.298 4.660 -0.000 0.000 0.333 263 W C -1.908 174.800 176.519 0.315 0.000 1.047 263 W CA -0.940 56.479 57.345 0.123 0.000 1.236 263 W CB 0.942 30.433 29.460 0.052 0.000 1.394 263 W HN 0.304 nan 8.180 nan 0.000 0.466 264 F N 4.161 123.843 119.950 -0.447 0.000 2.443 264 F HA 0.464 4.991 4.527 -0.000 0.000 0.335 264 F C 0.421 175.700 175.800 -0.868 0.000 1.104 264 F CA -1.711 55.931 58.000 -0.596 0.000 1.013 264 F CB 1.919 40.734 39.000 -0.309 0.000 1.136 264 F HN 0.286 nan 8.300 nan 0.000 0.470 265 S N 5.674 120.979 115.700 -0.658 0.000 2.269 265 S HA 0.414 4.884 4.470 -0.000 0.000 0.194 265 S C -2.750 171.738 174.600 -0.186 0.000 1.547 265 S CA -1.486 56.453 58.200 -0.435 0.000 1.186 265 S CB 0.086 62.915 63.200 -0.618 0.000 1.069 265 S HN 0.266 nan 8.310 nan 0.000 0.473 266 P HA 0.226 nan 4.420 nan 0.000 0.274 266 P C -0.510 176.786 177.300 -0.006 0.000 1.231 266 P CA -0.471 62.615 63.100 -0.022 0.000 0.790 266 P CB 0.766 32.516 31.700 0.083 0.000 0.951 267 K N 1.611 121.991 120.400 -0.033 0.000 2.276 267 K HA 0.163 4.483 4.320 -0.000 0.000 0.259 267 K C 0.823 177.403 176.600 -0.033 0.000 1.001 267 K CA -0.429 55.837 56.287 -0.035 0.000 0.927 267 K CB -0.005 32.459 32.500 -0.060 0.000 0.969 267 K HN 0.495 nan 8.250 nan 0.000 0.490 268 I N -1.446 119.096 120.570 -0.047 0.000 2.752 268 I HA 0.094 4.264 4.170 -0.000 0.000 0.287 268 I C 0.965 176.956 176.117 -0.210 0.000 1.188 268 I CA 0.301 61.544 61.300 -0.094 0.000 1.427 268 I CB -0.009 37.947 38.000 -0.074 0.000 1.365 268 I HN 0.830 nan 8.210 nan 0.000 0.585 269 G N 3.459 111.946 108.800 -0.522 0.000 2.179 269 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 269 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 269 G C 0.540 175.220 174.900 -0.367 0.000 1.010 269 G CA 0.636 45.171 45.100 -0.941 0.000 0.736 269 G HN 1.321 nan 8.290 nan 0.000 0.513 270 T N -3.869 110.617 114.554 -0.113 0.000 3.091 270 T HA 0.273 4.623 4.350 -0.000 0.000 0.277 270 T C 1.278 176.219 174.700 0.403 0.000 0.996 270 T CA 0.828 63.037 62.100 0.181 0.000 0.897 270 T CB 0.347 69.250 68.868 0.059 0.000 1.109 270 T HN 0.174 nan 8.240 nan 0.000 0.534 271 D N 2.596 123.331 120.400 0.560 0.000 2.133 271 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 271 D C 1.949 178.768 176.300 0.865 0.000 0.997 271 D CA 1.852 56.326 54.000 0.790 0.000 0.840 271 D CB -0.210 41.089 40.800 0.832 0.000 0.947 271 D HN 0.709 nan 8.370 nan 0.000 0.452 272 H N 0.650 120.101 119.070 0.636 0.000 2.518 272 H HA 0.120 4.676 4.556 -0.000 0.000 0.289 272 H C 1.811 177.603 175.328 0.774 0.000 1.051 272 H CA 0.972 57.375 56.048 0.592 0.000 1.280 272 H CB -0.686 29.435 29.762 0.598 0.000 1.380 272 H HN 0.077 nan 8.280 nan 0.000 0.566 273 A N 2.025 125.167 122.820 0.536 0.000 1.930 273 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 273 A C 2.715 180.515 177.584 0.360 0.000 1.175 273 A CA 1.054 53.231 52.037 0.233 0.000 0.627 273 A CB -0.645 18.139 19.000 -0.360 0.000 0.815 273 A HN 0.359 nan 8.150 nan 0.000 0.443 274 L N 0.413 121.883 121.223 0.411 0.000 2.072 274 L HA -0.138 4.201 4.340 -0.000 0.000 0.205 274 L C 2.972 180.133 176.870 0.486 0.000 1.079 274 L CA 1.624 56.722 54.840 0.431 0.000 0.752 274 L CB -0.868 41.502 42.059 0.519 0.000 0.906 274 L HN 0.593 nan 8.230 nan 0.000 0.436 275 S N -0.174 115.843 115.700 0.529 0.000 2.383 275 S HA -0.154 4.316 4.470 -0.000 0.000 0.227 275 S C 1.918 176.593 174.600 0.125 0.000 1.026 275 S CA 0.928 59.272 58.200 0.240 0.000 0.981 275 S CB -0.822 62.357 63.200 -0.035 0.000 0.818 275 S HN 0.314 nan 8.310 nan 0.000 0.472 276 F N 2.095 122.233 119.950 0.313 0.000 2.259 276 F HA 0.153 4.679 4.527 -0.000 0.000 0.298 276 F C 2.843 178.701 175.800 0.097 0.000 1.088 276 F CA 0.651 58.776 58.000 0.208 0.000 1.358 276 F CB -0.361 38.772 39.000 0.223 0.000 1.040 276 F HN 0.324 nan 8.300 nan 0.000 0.505 277 A N 0.184 123.207 122.820 0.339 0.000 1.929 277 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 277 A C 2.115 179.750 177.584 0.085 0.000 1.176 277 A CA 1.215 53.373 52.037 0.202 0.000 0.628 277 A CB -0.868 18.252 19.000 0.200 0.000 0.816 277 A HN 0.387 nan 8.150 nan 0.000 0.444 278 I N -0.324 120.224 120.570 -0.038 0.000 2.252 278 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 278 I C 2.955 178.617 176.117 -0.758 0.000 1.102 278 I CA 0.977 62.026 61.300 -0.418 0.000 1.385 278 I CB -0.299 37.392 38.000 -0.515 0.000 1.064 278 I HN 0.349 nan 8.210 nan 0.000 0.414 279 A N 0.188 122.762 122.820 -0.410 0.000 1.902 279 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 279 A C 2.285 179.841 177.584 -0.047 0.000 1.181 279 A CA 1.478 53.407 52.037 -0.179 0.000 0.623 279 A CB -1.042 18.060 19.000 0.170 0.000 0.818 279 A HN 0.503 nan 8.150 nan 0.000 0.443 280 Y N 1.366 121.587 120.300 -0.132 0.000 2.097 280 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 280 Y C 2.700 178.572 175.900 -0.046 0.000 1.152 280 Y CA 2.551 60.585 58.100 -0.111 0.000 1.136 280 Y CB -0.807 37.584 38.460 -0.113 0.000 0.975 280 Y HN 0.322 nan 8.280 nan 0.000 0.498 281 T N -0.066 114.527 114.554 0.065 0.000 2.699 281 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 281 T C 1.441 176.240 174.700 0.165 0.000 1.036 281 T CA 1.782 63.922 62.100 0.067 0.000 1.147 281 T CB -0.557 68.362 68.868 0.085 0.000 0.862 281 T HN 0.486 nan 8.240 nan 0.000 0.446 282 W N 1.266 122.572 121.300 0.010 0.000 2.388 282 W HA 0.165 4.825 4.660 -0.000 0.000 0.294 282 W C 2.089 178.627 176.519 0.033 0.000 1.212 282 W CA -0.110 57.255 57.345 0.034 0.000 1.271 282 W CB -1.424 28.031 29.460 -0.008 0.000 1.126 282 W HN 0.285 nan 8.180 nan 0.000 0.535 283 L N 0.258 121.553 121.223 0.120 0.000 1.988 283 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 283 L C 2.640 179.510 176.870 -0.001 0.000 1.071 283 L CA 1.249 56.109 54.840 0.032 0.000 0.744 283 L CB -0.986 40.994 42.059 -0.132 0.000 0.893 283 L HN -0.213 nan 8.230 nan 0.000 0.433 284 K N 0.495 120.785 120.400 -0.184 0.000 2.103 284 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 284 K C 1.570 178.153 176.600 -0.027 0.000 1.048 284 K CA 1.480 57.654 56.287 -0.188 0.000 0.930 284 K CB -0.192 32.094 32.500 -0.356 0.000 0.716 284 K HN 0.475 nan 8.250 nan 0.000 0.444 285 E N 0.311 120.545 120.200 0.056 0.000 2.465 285 E HA 0.008 4.357 4.350 -0.000 0.000 0.195 285 E C -0.854 175.823 176.600 0.128 0.000 1.028 285 E CA -0.167 56.291 56.400 0.098 0.000 0.899 285 E CB 0.230 30.010 29.700 0.133 0.000 1.032 285 E HN 0.189 nan 8.360 nan 0.000 0.468 286 D N 0.977 121.484 120.400 0.178 0.000 2.701 286 D HA -0.163 4.477 4.640 -0.000 0.000 0.235 286 D C -0.504 175.878 176.300 0.136 0.000 1.155 286 D CA 1.217 55.331 54.000 0.189 0.000 0.649 286 D CB -1.188 39.653 40.800 0.069 0.000 1.050 286 D HN 0.192 nan 8.370 nan 0.000 0.425 287 S N 0.016 115.853 115.700 0.228 0.000 2.912 287 S HA 0.510 4.980 4.470 -0.000 0.000 0.184 287 S C -0.271 174.292 174.600 -0.062 0.000 1.390 287 S CA -0.886 57.346 58.200 0.053 0.000 1.088 287 S CB -0.110 63.120 63.200 0.050 0.000 1.284 287 S HN 0.447 nan 8.310 nan 0.000 0.502 288 Y N -2.263 117.902 120.300 -0.225 0.000 2.725 288 Y HA 0.598 5.148 4.550 -0.000 0.000 0.333 288 Y C -1.193 174.594 175.900 -0.189 0.000 1.242 288 Y CA -1.516 56.398 58.100 -0.309 0.000 1.059 288 Y CB 0.240 38.578 38.460 -0.203 0.000 1.306 288 Y HN 0.130 nan 8.280 nan 0.000 0.454 289 D N 1.980 122.265 120.400 -0.191 0.000 2.498 289 D HA 0.144 4.783 4.640 -0.000 0.000 0.229 289 D C 0.475 176.624 176.300 -0.252 0.000 1.188 289 D CA 0.259 54.127 54.000 -0.219 0.000 1.028 289 D CB 0.492 41.192 40.800 -0.166 0.000 1.087 289 D HN 0.699 nan 8.370 nan 0.000 0.510 290 K N 1.475 121.571 120.400 -0.506 0.000 2.063 290 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 290 K C 1.479 177.979 176.600 -0.166 0.000 1.048 290 K CA 1.195 57.222 56.287 -0.433 0.000 0.928 290 K CB 0.286 32.527 32.500 -0.432 0.000 0.713 290 K HN 0.220 nan 8.250 nan 0.000 0.442 291 E N 0.185 120.312 120.200 -0.121 0.000 2.058 291 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 291 E C 1.753 178.332 176.600 -0.034 0.000 0.997 291 E CA 1.289 57.648 56.400 -0.068 0.000 0.801 291 E CB -0.413 29.252 29.700 -0.058 0.000 0.746 291 E HN 0.357 nan 8.360 nan 0.000 0.450 292 Y N 0.529 120.743 120.300 -0.143 0.000 2.128 292 Y HA -0.269 4.281 4.550 -0.000 0.000 0.284 292 Y C 2.119 177.937 175.900 -0.136 0.000 1.154 292 Y CA 1.441 59.457 58.100 -0.141 0.000 1.149 292 Y CB -0.152 38.236 38.460 -0.120 0.000 0.976 292 Y HN -0.112 nan 8.280 nan 0.000 0.505 293 V N 0.345 120.334 119.914 0.126 0.000 2.343 293 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 293 V C 2.632 178.656 176.094 -0.116 0.000 1.051 293 V CA 1.791 64.053 62.300 -0.062 0.000 1.036 293 V CB -1.510 30.127 31.823 -0.309 0.000 0.654 293 V HN 0.587 nan 8.190 nan 0.000 0.451 294 A N -0.354 122.418 122.820 -0.081 0.000 1.972 294 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 294 A C 2.297 179.852 177.584 -0.048 0.000 1.169 294 A CA 2.164 54.176 52.037 -0.041 0.000 0.635 294 A CB -0.487 18.494 19.000 -0.031 0.000 0.810 294 A HN 0.585 nan 8.150 nan 0.000 0.446 295 A N -0.752 122.003 122.820 -0.109 0.000 1.956 295 A HA 0.065 4.385 4.320 -0.000 0.000 0.212 295 A C 1.399 178.871 177.584 -0.186 0.000 1.188 295 A CA 0.906 52.853 52.037 -0.150 0.000 0.675 295 A CB -0.039 18.831 19.000 -0.216 0.000 0.845 295 A HN 0.462 nan 8.150 nan 0.000 0.455 296 N N -0.022 118.517 118.700 -0.268 0.000 2.234 296 N HA 0.394 5.134 4.740 -0.000 0.000 0.227 296 N C -0.225 175.358 175.510 0.122 0.000 1.151 296 N CA 0.690 53.611 53.050 -0.216 0.000 0.865 296 N CB 0.875 38.914 38.487 -0.747 0.000 1.066 296 N HN 0.422 nan 8.380 nan 0.000 0.515 297 A N 0.062 122.964 122.820 0.135 0.000 2.401 297 A HA 0.591 4.910 4.320 -0.000 0.000 0.310 297 A C -1.346 176.427 177.584 0.316 0.000 1.075 297 A CA -0.504 51.704 52.037 0.286 0.000 0.746 297 A CB 1.488 20.591 19.000 0.172 0.000 1.277 297 A HN 0.332 nan 8.150 nan 0.000 0.425 298 H N -0.249 119.007 119.070 0.311 0.000 2.529 298 H HA 0.513 5.069 4.556 -0.000 0.000 0.348 298 H C 0.810 176.320 175.328 0.303 0.000 1.079 298 H CA 0.623 56.823 56.048 0.254 0.000 1.198 298 H CB 1.516 31.403 29.762 0.209 0.000 1.521 298 H HN 1.709 nan 8.280 nan 0.000 0.514 299 G N 3.663 112.264 108.800 -0.332 0.000 2.179 299 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.257 299 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.257 299 G C 0.709 175.658 174.900 0.081 0.000 1.010 299 G CA 0.649 45.661 45.100 -0.146 0.000 0.736 299 G HN 0.617 nan 8.290 nan 0.000 0.513 300 F N 0.978 120.877 119.950 -0.085 0.000 2.234 300 F HA 0.115 4.642 4.527 -0.000 0.000 0.299 300 F C 2.287 178.088 175.800 0.002 0.000 1.087 300 F CA 2.109 59.994 58.000 -0.192 0.000 1.340 300 F CB 0.107 38.944 39.000 -0.273 0.000 1.031 300 F HN 0.312 nan 8.300 nan 0.000 0.500 301 E N 0.468 120.700 120.200 0.054 0.000 2.051 301 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 301 E C 1.988 178.555 176.600 -0.054 0.000 0.991 301 E CA 1.832 58.234 56.400 0.003 0.000 0.799 301 E CB -0.407 29.323 29.700 0.051 0.000 0.748 301 E HN 0.454 nan 8.360 nan 0.000 0.449 302 E N -0.321 119.879 120.200 -0.001 0.000 2.051 302 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 302 E C 1.629 178.260 176.600 0.051 0.000 0.991 302 E CA 1.079 57.495 56.400 0.027 0.000 0.799 302 E CB -0.305 29.431 29.700 0.060 0.000 0.748 302 E HN 0.330 nan 8.360 nan 0.000 0.449 303 W N 1.376 122.598 121.300 -0.129 0.000 2.338 303 W HA -0.213 4.447 4.660 -0.000 0.000 0.304 303 W C 2.305 178.733 176.519 -0.151 0.000 1.212 303 W CA 2.170 59.466 57.345 -0.082 0.000 1.264 303 W CB -0.468 28.930 29.460 -0.104 0.000 1.142 303 W HN 0.073 nan 8.180 nan 0.000 0.512 304 A N 0.015 122.609 122.820 -0.375 0.000 1.902 304 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 304 A C 1.776 179.167 177.584 -0.323 0.000 1.181 304 A CA 2.133 53.877 52.037 -0.489 0.000 0.623 304 A CB -1.069 17.649 19.000 -0.470 0.000 0.818 304 A HN 0.289 nan 8.150 nan 0.000 0.443 305 D N -1.793 118.487 120.400 -0.200 0.000 2.178 305 D HA -0.159 4.480 4.640 -0.000 0.000 0.201 305 D C 1.623 177.804 176.300 -0.198 0.000 0.980 305 D CA 1.511 55.419 54.000 -0.154 0.000 0.842 305 D CB -0.365 40.385 40.800 -0.083 0.000 0.948 305 D HN 0.650 nan 8.370 nan 0.000 0.472 306 Y N 1.444 121.557 120.300 -0.311 0.000 2.163 306 Y HA -0.198 4.351 4.550 -0.000 0.000 0.288 306 Y C 2.196 177.800 175.900 -0.493 0.000 1.136 306 Y CA 1.109 58.989 58.100 -0.367 0.000 1.147 306 Y CB -0.309 37.936 38.460 -0.359 0.000 0.987 306 Y HN -0.216 nan 8.280 nan 0.000 0.509 307 V N 0.820 120.374 119.914 -0.601 0.000 2.407 307 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 307 V C 2.276 178.140 176.094 -0.383 0.000 1.055 307 V CA 1.925 63.868 62.300 -0.594 0.000 1.049 307 V CB -0.764 30.722 31.823 -0.560 0.000 0.662 307 V HN 0.441 nan 8.190 nan 0.000 0.455 308 L N 0.383 121.432 121.223 -0.290 0.000 2.622 308 L HA 0.175 4.514 4.340 -0.000 0.000 0.233 308 L C 1.852 178.600 176.870 -0.202 0.000 1.156 308 L CA 0.905 55.671 54.840 -0.124 0.000 0.866 308 L CB -0.714 41.254 42.059 -0.151 0.000 0.980 308 L HN 0.579 nan 8.230 nan 0.000 0.448 309 G N -0.071 108.480 108.800 -0.414 0.000 2.159 309 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.256 309 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.256 309 G C 1.042 175.761 174.900 -0.302 0.000 0.977 309 G CA 0.541 45.377 45.100 -0.441 0.000 0.652 309 G HN 0.367 nan 8.290 nan 0.000 0.531 310 K N -0.121 120.136 120.400 -0.237 0.000 2.097 310 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 310 K C 2.760 179.281 176.600 -0.133 0.000 1.049 310 K CA 1.934 58.128 56.287 -0.154 0.000 0.933 310 K CB -0.246 32.184 32.500 -0.117 0.000 0.717 310 K HN 0.634 nan 8.250 nan 0.000 0.442 311 T N -0.736 113.731 114.554 -0.145 0.000 3.035 311 T HA -0.048 4.302 4.350 -0.000 0.000 0.259 311 T C 1.171 175.821 174.700 -0.084 0.000 1.078 311 T CA 0.971 63.028 62.100 -0.073 0.000 1.132 311 T CB 0.005 68.887 68.868 0.023 0.000 0.900 311 T HN 0.195 nan 8.240 nan 0.000 0.480 312 D N 0.125 120.416 120.400 -0.181 0.000 2.469 312 D HA 0.276 4.916 4.640 -0.000 0.000 0.215 312 D C 1.527 177.715 176.300 -0.187 0.000 1.154 312 D CA 0.162 54.066 54.000 -0.159 0.000 0.832 312 D CB -0.452 40.246 40.800 -0.169 0.000 1.008 312 D HN 0.480 nan 8.370 nan 0.000 0.506 313 G N 0.092 108.772 108.800 -0.200 0.000 2.175 313 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.265 313 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.265 313 G C 0.207 174.965 174.900 -0.237 0.000 0.979 313 G CA 0.723 45.715 45.100 -0.180 0.000 0.663 313 G HN 0.453 nan 8.290 nan 0.000 0.533 314 T N 2.177 116.515 114.554 -0.360 0.000 3.060 314 T HA 0.508 4.858 4.350 -0.000 0.000 0.367 314 T C -2.617 171.674 174.700 -0.683 0.000 1.229 314 T CA -1.020 60.792 62.100 -0.479 0.000 1.104 314 T CB 2.355 70.913 68.868 -0.517 0.000 1.083 314 T HN 0.042 nan 8.240 nan 0.000 0.524 315 P HA 0.085 nan 4.420 nan 0.000 0.264 315 P C 0.065 176.791 177.300 -0.956 0.000 1.193 315 P CA -0.395 62.353 63.100 -0.585 0.000 0.763 315 P CB 0.476 31.964 31.700 -0.352 0.000 0.810 316 K N 2.581 122.319 120.400 -1.102 0.000 2.737 316 K HA 0.108 4.427 4.320 -0.000 0.000 0.251 316 K C 0.671 176.692 176.600 -0.964 0.000 1.280 316 K CA 0.147 55.721 56.287 -1.187 0.000 1.219 316 K CB -1.222 30.732 32.500 -0.910 0.000 1.587 316 K HN 0.486 nan 8.250 nan 0.000 0.279 317 T N -3.304 110.727 114.554 -0.872 0.000 2.726 317 T HA 0.031 4.381 4.350 -0.000 0.000 0.294 317 T C 1.617 176.269 174.700 -0.080 0.000 1.013 317 T CA -0.548 61.197 62.100 -0.592 0.000 0.996 317 T CB 0.820 69.481 68.868 -0.345 0.000 1.016 317 T HN 0.381 nan 8.240 nan 0.000 0.529 318 C N 0.681 119.971 119.300 -0.016 0.000 2.446 318 C HA 0.057 4.517 4.460 -0.000 0.000 0.279 318 C C 2.786 177.770 174.990 -0.011 0.000 1.366 318 C CA 0.365 59.398 59.018 0.026 0.000 1.763 318 C CB -1.425 26.338 27.740 0.039 0.000 1.929 318 C HN 0.974 nan 8.230 nan 0.000 0.509 319 E N -0.139 120.054 120.200 -0.012 0.000 2.072 319 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 319 E C 1.646 178.228 176.600 -0.029 0.000 0.985 319 E CA 1.173 57.556 56.400 -0.029 0.000 0.801 319 E CB -0.360 29.328 29.700 -0.020 0.000 0.750 319 E HN 0.836 nan 8.360 nan 0.000 0.452 320 W N 1.409 122.591 121.300 -0.195 0.000 2.358 320 W HA -0.163 4.497 4.660 -0.000 0.000 0.303 320 W C 2.228 178.623 176.519 -0.208 0.000 1.208 320 W CA 2.217 59.430 57.345 -0.220 0.000 1.274 320 W CB -0.451 28.827 29.460 -0.303 0.000 1.138 320 W HN 0.050 nan 8.180 nan 0.000 0.515 321 A N 0.275 122.950 122.820 -0.242 0.000 1.902 321 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 321 A C 2.037 179.389 177.584 -0.387 0.000 1.181 321 A CA 1.991 53.753 52.037 -0.459 0.000 0.623 321 A CB -1.196 17.758 19.000 -0.076 0.000 0.818 321 A HN 0.556 nan 8.150 nan 0.000 0.443 322 E N -0.345 119.705 120.200 -0.250 0.000 2.085 322 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 322 E C 1.997 178.448 176.600 -0.249 0.000 0.994 322 E CA 1.377 57.644 56.400 -0.222 0.000 0.801 322 E CB -0.183 29.419 29.700 -0.165 0.000 0.743 322 E HN 0.750 nan 8.360 nan 0.000 0.453 323 E N -0.317 119.714 120.200 -0.282 0.000 2.204 323 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 323 E C 1.754 178.163 176.600 -0.318 0.000 0.990 323 E CA 0.916 57.156 56.400 -0.267 0.000 0.821 323 E CB 0.230 29.784 29.700 -0.244 0.000 0.750 323 E HN 0.265 nan 8.360 nan 0.000 0.477 324 E N -0.181 119.745 120.200 -0.455 0.000 2.057 324 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 324 E C 2.254 178.715 176.600 -0.233 0.000 0.969 324 E CA 1.282 57.451 56.400 -0.386 0.000 0.812 324 E CB -0.156 29.181 29.700 -0.606 0.000 0.777 324 E HN 0.242 nan 8.360 nan 0.000 0.455 325 S N -0.939 114.624 115.700 -0.228 0.000 2.439 325 S HA 0.152 4.622 4.470 -0.000 0.000 0.224 325 S C 1.709 176.219 174.600 -0.149 0.000 1.029 325 S CA 0.989 59.105 58.200 -0.140 0.000 0.946 325 S CB 0.434 63.574 63.200 -0.099 0.000 0.797 325 S HN 0.344 nan 8.310 nan 0.000 0.504 326 G N 0.360 109.052 108.800 -0.181 0.000 2.175 326 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 326 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 326 G C 0.002 174.775 174.900 -0.213 0.000 0.982 326 G CA -0.022 44.974 45.100 -0.173 0.000 0.641 326 G HN 0.715 nan 8.290 nan 0.000 0.527 327 V N 2.177 121.939 119.914 -0.253 0.000 2.461 327 V HA 0.408 4.528 4.120 -0.000 0.000 0.275 327 V C -1.497 174.392 176.094 -0.341 0.000 1.047 327 V CA -1.501 60.574 62.300 -0.373 0.000 0.955 327 V CB 1.330 32.863 31.823 -0.483 0.000 0.988 327 V HN 0.104 nan 8.190 nan 0.000 0.471 328 P HA -0.015 nan 4.420 nan 0.000 0.261 328 P C 0.615 177.784 177.300 -0.217 0.000 1.173 328 P CA 0.419 63.378 63.100 -0.236 0.000 0.760 328 P CB 0.621 32.196 31.700 -0.208 0.000 0.783 329 A N 3.820 126.557 122.820 -0.138 0.000 1.940 329 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 329 A C 2.190 179.745 177.584 -0.049 0.000 1.176 329 A CA 2.021 54.006 52.037 -0.087 0.000 0.631 329 A CB -1.781 17.186 19.000 -0.055 0.000 0.814 329 A HN 0.759 nan 8.150 nan 0.000 0.446 330 C N -0.690 118.584 119.300 -0.043 0.000 2.425 330 C HA -0.061 4.398 4.460 -0.000 0.000 0.277 330 C C 2.240 177.241 174.990 0.019 0.000 1.280 330 C CA 1.073 60.090 59.018 -0.001 0.000 1.744 330 C CB -1.522 26.218 27.740 0.000 0.000 1.989 330 C HN 0.655 nan 8.230 nan 0.000 0.491 331 E N 1.172 121.348 120.200 -0.040 0.000 2.152 331 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 331 E C 2.142 178.815 176.600 0.122 0.000 0.983 331 E CA 1.201 57.613 56.400 0.019 0.000 0.818 331 E CB -0.188 29.403 29.700 -0.181 0.000 0.758 331 E HN 0.728 nan 8.360 nan 0.000 0.467 332 I N 0.906 121.463 120.570 -0.022 0.000 2.179 332 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 332 I C 2.774 178.998 176.117 0.179 0.000 1.088 332 I CA 1.092 62.457 61.300 0.109 0.000 1.357 332 I CB -0.254 37.758 38.000 0.021 0.000 1.051 332 I HN 0.020 nan 8.210 nan 0.000 0.409 333 R N 1.192 121.768 120.500 0.126 0.000 2.096 333 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 333 R C 2.377 178.790 176.300 0.189 0.000 1.127 333 R CA 1.490 57.678 56.100 0.146 0.000 0.968 333 R CB -0.214 30.156 30.300 0.116 0.000 0.861 333 R HN 0.357 nan 8.270 nan 0.000 0.440 334 A N 1.113 124.044 122.820 0.186 0.000 1.902 334 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 334 A C 2.012 179.750 177.584 0.256 0.000 1.181 334 A CA 1.292 53.449 52.037 0.200 0.000 0.623 334 A CB -0.607 18.501 19.000 0.180 0.000 0.818 334 A HN 0.387 nan 8.150 nan 0.000 0.443 335 L N -0.205 121.203 121.223 0.308 0.000 2.017 335 L HA -0.047 4.292 4.340 -0.000 0.000 0.208 335 L C 2.671 179.820 176.870 0.465 0.000 1.073 335 L CA 2.220 57.270 54.840 0.350 0.000 0.745 335 L CB -0.960 41.318 42.059 0.366 0.000 0.894 335 L HN 0.348 nan 8.230 nan 0.000 0.432 336 A N -0.256 122.803 122.820 0.398 0.000 1.883 336 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 336 A C 2.435 180.408 177.584 0.649 0.000 1.186 336 A CA 2.073 54.365 52.037 0.424 0.000 0.624 336 A CB -0.588 18.478 19.000 0.111 0.000 0.822 336 A HN 0.525 nan 8.150 nan 0.000 0.444 337 R N -1.381 119.376 120.500 0.428 0.000 2.092 337 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 337 R C 2.491 178.987 176.300 0.326 0.000 1.119 337 R CA 1.551 57.864 56.100 0.356 0.000 0.970 337 R CB -0.237 30.208 30.300 0.242 0.000 0.864 337 R HN 0.639 nan 8.270 nan 0.000 0.440 338 Q N -0.012 119.984 119.800 0.327 0.000 2.083 338 Q HA -0.163 4.176 4.340 -0.000 0.000 0.198 338 Q C 1.633 177.841 176.000 0.346 0.000 0.969 338 Q CA 1.265 57.232 55.803 0.272 0.000 0.838 338 Q CB -0.232 28.640 28.738 0.223 0.000 0.900 338 Q HN 0.381 nan 8.270 nan 0.000 0.436 339 W N 0.535 121.989 121.300 0.256 0.000 2.335 339 W HA -0.152 4.507 4.660 -0.000 0.000 0.311 339 W C 1.910 178.514 176.519 0.143 0.000 1.213 339 W CA 2.201 59.714 57.345 0.280 0.000 1.274 339 W CB -0.880 28.899 29.460 0.532 0.000 1.148 339 W HN 0.286 nan 8.180 nan 0.000 0.498 340 A N 1.023 124.077 122.820 0.390 0.000 1.898 340 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 340 A C 2.028 179.617 177.584 0.008 0.000 1.181 340 A CA 2.274 54.273 52.037 -0.062 0.000 0.620 340 A CB -0.788 18.066 19.000 -0.243 0.000 0.819 340 A HN 0.462 nan 8.150 nan 0.000 0.442 341 K N -1.451 119.007 120.400 0.096 0.000 2.418 341 K HA 0.104 4.424 4.320 -0.000 0.000 0.195 341 K C 0.046 176.689 176.600 0.071 0.000 1.035 341 K CA 0.300 56.627 56.287 0.067 0.000 1.003 341 K CB 0.183 32.732 32.500 0.082 0.000 0.793 341 K HN 0.059 nan 8.250 nan 0.000 0.494 342 K N 1.413 121.875 120.400 0.103 0.000 2.221 342 K HA 0.245 4.565 4.320 -0.000 0.000 0.243 342 K C -0.820 175.824 176.600 0.074 0.000 0.968 342 K CA -0.994 55.347 56.287 0.090 0.000 0.846 342 K CB 1.124 33.685 32.500 0.102 0.000 1.141 342 K HN -0.088 nan 8.250 nan 0.000 0.434 343 N N 1.465 120.204 118.700 0.066 0.000 2.402 343 N HA 0.101 4.841 4.740 -0.000 0.000 0.259 343 N C -0.965 174.566 175.510 0.036 0.000 1.167 343 N CA 0.350 53.419 53.050 0.031 0.000 0.949 343 N CB 0.188 38.729 38.487 0.091 0.000 1.212 343 N HN 0.280 nan 8.380 nan 0.000 0.493 344 T N 2.418 116.950 114.554 -0.037 0.000 2.797 344 T HA 0.359 4.709 4.350 -0.000 0.000 0.279 344 T C -0.381 174.213 174.700 -0.176 0.000 0.991 344 T CA -0.374 61.673 62.100 -0.087 0.000 0.979 344 T CB 0.575 69.296 68.868 -0.245 0.000 0.943 344 T HN 0.181 nan 8.240 nan 0.000 0.444 345 Y N 1.869 122.135 120.300 -0.057 0.000 2.342 345 Y HA 0.534 5.084 4.550 -0.000 0.000 0.334 345 Y C -0.047 175.763 175.900 -0.149 0.000 1.067 345 Y CA -1.359 56.746 58.100 0.009 0.000 1.128 345 Y CB 1.135 39.689 38.460 0.158 0.000 1.200 345 Y HN 0.404 nan 8.280 nan 0.000 0.464 346 L N 3.910 125.194 121.223 0.103 0.000 2.261 346 L HA 0.603 4.943 4.340 -0.000 0.000 0.289 346 L C 0.048 176.915 176.870 -0.006 0.000 1.059 346 L CA -0.612 54.257 54.840 0.049 0.000 0.816 346 L CB 0.204 42.443 42.059 0.300 0.000 1.191 346 L HN 0.700 nan 8.230 nan 0.000 0.431 347 A N 5.648 128.344 122.820 -0.206 0.000 3.078 347 A HA 0.696 5.016 4.320 -0.000 0.000 0.279 347 A C 0.474 178.078 177.584 0.033 0.000 1.594 347 A CA -0.058 51.816 52.037 -0.273 0.000 1.301 347 A CB -0.716 17.778 19.000 -0.843 0.000 1.162 347 A HN 0.932 nan 8.150 nan 0.000 0.585 348 A N 1.546 124.451 122.820 0.141 0.000 2.347 348 A HA 0.627 4.947 4.320 -0.000 0.000 0.287 348 A C 1.067 178.867 177.584 0.360 0.000 1.199 348 A CA 0.536 52.781 52.037 0.346 0.000 0.851 348 A CB -0.645 18.489 19.000 0.224 0.000 1.118 348 A HN 2.534 nan 8.150 nan 0.000 0.525 349 G N 1.552 110.672 108.800 0.533 0.000 2.814 349 G HA2 0.168 4.128 3.960 -0.000 0.000 0.677 349 G HA3 0.168 4.128 3.960 -0.000 0.000 0.677 349 G C 0.849 175.864 174.900 0.191 0.000 1.429 349 G CA -0.093 45.239 45.100 0.388 0.000 0.868 349 G HN 1.721 nan 8.290 nan 0.000 0.553 350 G N -1.120 107.772 108.800 0.152 0.000 2.623 350 G HA2 0.317 4.276 3.960 -0.000 0.000 0.214 350 G HA3 0.317 4.276 3.960 -0.000 0.000 0.214 350 G C 1.672 176.555 174.900 -0.029 0.000 1.138 350 G CA 1.565 46.708 45.100 0.071 0.000 0.794 350 G HN 1.214 nan 8.290 nan 0.000 0.535 351 L N 0.017 121.191 121.223 -0.081 0.000 2.408 351 L HA 0.479 4.818 4.340 -0.000 0.000 0.215 351 L C 1.179 177.834 176.870 -0.358 0.000 1.081 351 L CA 1.407 56.064 54.840 -0.306 0.000 0.840 351 L CB 0.283 41.914 42.059 -0.713 0.000 1.002 351 L HN 0.300 nan 8.230 nan 0.000 0.468 352 G N -0.715 107.899 108.800 -0.310 0.000 2.859 352 G HA2 0.420 4.380 3.960 -0.000 0.000 0.251 352 G HA3 0.420 4.380 3.960 -0.000 0.000 0.251 352 G C 0.249 174.837 174.900 -0.520 0.000 0.978 352 G CA -0.283 44.633 45.100 -0.306 0.000 1.270 352 G HN 1.096 nan 8.290 nan 0.000 0.601 353 G N -0.083 108.388 108.800 -0.549 0.000 2.384 353 G HA2 0.477 4.436 3.960 -0.000 0.000 0.668 353 G HA3 0.477 4.436 3.960 -0.000 0.000 0.668 353 G C 0.302 174.938 174.900 -0.439 0.000 1.280 353 G CA 0.472 44.928 45.100 -1.072 0.000 0.992 353 G HN 2.014 nan 8.290 nan 0.000 0.512 354 W N -1.948 119.005 121.300 -0.579 0.000 3.206 354 W HA 0.339 4.999 4.660 -0.000 0.000 0.318 354 W C 1.248 178.020 176.519 0.421 0.000 0.206 354 W CA 2.086 59.416 57.345 -0.025 0.000 0.459 354 W CB -1.483 27.845 29.460 -0.220 0.000 2.523 354 W HN 3.029 nan 8.180 nan 0.000 0.418 355 G N -1.064 107.998 108.800 0.438 0.000 3.069 355 G HA2 0.478 4.437 3.960 -0.000 0.000 0.686 355 G HA3 0.478 4.437 3.960 -0.000 0.000 0.686 355 G C 0.477 175.387 174.900 0.017 0.000 1.161 355 G CA 0.563 45.816 45.100 0.255 0.000 0.804 355 G HN 1.791 nan 8.290 nan 0.000 0.608 356 G N 0.943 109.688 108.800 -0.091 0.000 2.503 356 G HA2 0.107 4.067 3.960 -0.000 0.000 0.221 356 G HA3 0.107 4.067 3.960 -0.000 0.000 0.221 356 G C 2.137 176.937 174.900 -0.167 0.000 1.131 356 G CA 2.726 47.763 45.100 -0.105 0.000 0.756 356 G HN 2.141 nan 8.290 nan 0.000 0.572 357 A N 0.326 122.894 122.820 -0.421 0.000 2.024 357 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 357 A C 2.670 179.976 177.584 -0.463 0.000 1.164 357 A CA 2.095 53.739 52.037 -0.655 0.000 0.643 357 A CB -1.077 16.953 19.000 -1.615 0.000 0.806 357 A HN 1.064 nan 8.150 nan 0.000 0.451 358 C N -0.043 119.177 119.300 -0.134 0.000 2.448 358 C HA 0.136 4.596 4.460 -0.000 0.000 0.280 358 C C 1.551 176.584 174.990 0.073 0.000 1.398 358 C CA 0.355 59.451 59.018 0.130 0.000 1.774 358 C CB -1.194 26.824 27.740 0.464 0.000 1.888 358 C HN 0.612 nan 8.230 nan 0.000 0.519 359 R N 1.031 121.553 120.500 0.037 0.000 3.050 359 R HA 0.736 5.075 4.340 -0.000 0.000 0.275 359 R C -0.473 175.833 176.300 0.010 0.000 1.373 359 R CA 0.299 56.437 56.100 0.062 0.000 1.612 359 R CB 0.209 30.562 30.300 0.089 0.000 1.218 359 R HN 0.470 nan 8.270 nan 0.000 0.621 360 A N 0.669 123.470 122.820 -0.033 0.000 2.588 360 A HA 0.388 4.708 4.320 -0.000 0.000 0.290 360 A C 0.644 178.148 177.584 -0.134 0.000 1.136 360 A CA -0.413 51.595 52.037 -0.049 0.000 0.681 360 A CB 1.181 20.226 19.000 0.076 0.000 1.282 360 A HN 0.436 nan 8.150 nan 0.000 0.421 361 S N 0.185 115.670 115.700 -0.359 0.000 2.442 361 S HA -0.192 4.278 4.470 -0.000 0.000 0.236 361 S C 1.101 175.522 174.600 -0.299 0.000 1.007 361 S CA 1.848 59.586 58.200 -0.770 0.000 0.965 361 S CB -0.583 61.598 63.200 -1.699 0.000 0.773 361 S HN 1.145 nan 8.310 nan 0.000 0.504 362 H N -0.238 118.654 119.070 -0.297 0.000 2.542 362 H HA 0.456 5.012 4.556 -0.000 0.000 0.283 362 H C 1.623 176.841 175.328 -0.184 0.000 1.059 362 H CA 0.027 55.916 56.048 -0.264 0.000 1.162 362 H CB -0.998 28.586 29.762 -0.298 0.000 1.539 362 H HN 0.336 nan 8.280 nan 0.000 0.543 363 G N 2.022 110.612 108.800 -0.350 0.000 2.513 363 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 363 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 363 G C 1.686 176.478 174.900 -0.180 0.000 1.160 363 G CA 1.363 46.302 45.100 -0.268 0.000 0.767 363 G HN 0.429 nan 8.290 nan 0.000 0.571 364 I N 0.575 121.090 120.570 -0.092 0.000 2.127 364 I HA -0.142 4.027 4.170 -0.000 0.000 0.241 364 I C 2.689 178.708 176.117 -0.164 0.000 1.075 364 I CA 1.270 62.526 61.300 -0.073 0.000 1.334 364 I CB -0.192 37.841 38.000 0.056 0.000 1.040 364 I HN 0.109 nan 8.210 nan 0.000 0.405 365 E N -0.201 119.929 120.200 -0.117 0.000 2.208 365 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 365 E C 1.648 178.167 176.600 -0.135 0.000 0.988 365 E CA 0.898 57.291 56.400 -0.013 0.000 0.828 365 E CB -0.434 29.320 29.700 0.090 0.000 0.763 365 E HN 0.617 nan 8.360 nan 0.000 0.478 366 W N 2.065 123.104 121.300 -0.435 0.000 2.378 366 W HA -0.101 4.559 4.660 -0.000 0.000 0.313 366 W C 2.392 178.510 176.519 -0.668 0.000 1.197 366 W CA 2.250 59.316 57.345 -0.464 0.000 1.304 366 W CB -0.545 28.596 29.460 -0.532 0.000 1.148 366 W HN 0.041 nan 8.180 nan 0.000 0.494 367 A N 0.952 123.176 122.820 -0.994 0.000 1.883 367 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 367 A C 2.099 178.857 177.584 -1.377 0.000 1.186 367 A CA 2.029 53.023 52.037 -1.738 0.000 0.624 367 A CB -0.892 17.135 19.000 -1.623 0.000 0.822 367 A HN 0.396 nan 8.150 nan 0.000 0.444 368 R N -1.035 118.871 120.500 -0.991 0.000 2.152 368 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 368 R C 2.296 177.835 176.300 -1.269 0.000 1.117 368 R CA 0.953 56.412 56.100 -1.068 0.000 0.981 368 R CB -0.487 29.261 30.300 -0.921 0.000 0.870 368 R HN 0.562 nan 8.270 nan 0.000 0.451 369 G N 0.639 108.811 108.800 -1.047 0.000 2.403 369 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 369 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 369 G C 1.407 175.889 174.900 -0.697 0.000 1.154 369 G CA 0.205 44.878 45.100 -0.712 0.000 0.784 369 G HN 0.057 nan 8.290 nan 0.000 0.538 370 M N 0.378 119.419 119.600 -0.932 0.000 2.229 370 M HA 0.148 4.628 4.480 -0.000 0.000 0.264 370 M C 2.524 178.529 176.300 -0.491 0.000 1.063 370 M CA 0.770 55.636 55.300 -0.723 0.000 1.114 370 M CB -0.844 31.215 32.600 -0.901 0.000 1.387 370 M HN 0.234 nan 8.290 nan 0.000 0.420 371 I N -0.078 120.064 120.570 -0.713 0.000 2.286 371 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 371 I C 2.610 178.440 176.117 -0.479 0.000 1.104 371 I CA 0.891 61.767 61.300 -0.708 0.000 1.397 371 I CB -0.576 36.755 38.000 -1.114 0.000 1.072 371 I HN 0.183 nan 8.210 nan 0.000 0.417 372 A N 1.062 123.532 122.820 -0.583 0.000 1.865 372 A HA -0.213 4.106 4.320 -0.000 0.000 0.217 372 A C 2.167 179.760 177.584 0.015 0.000 1.191 372 A CA 1.635 53.457 52.037 -0.358 0.000 0.623 372 A CB -0.832 17.931 19.000 -0.395 0.000 0.826 372 A HN 0.273 nan 8.150 nan 0.000 0.444 373 L N -0.414 120.788 121.223 -0.034 0.000 2.017 373 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 373 L C 3.008 179.991 176.870 0.189 0.000 1.073 373 L CA 2.056 56.956 54.840 0.101 0.000 0.745 373 L CB -1.089 40.906 42.059 -0.107 0.000 0.894 373 L HN 0.409 nan 8.230 nan 0.000 0.432 374 A N -1.882 121.017 122.820 0.133 0.000 1.972 374 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 374 A C 2.322 179.961 177.584 0.092 0.000 1.169 374 A CA 2.170 54.307 52.037 0.167 0.000 0.635 374 A CB -0.855 18.241 19.000 0.159 0.000 0.810 374 A HN 0.463 nan 8.150 nan 0.000 0.446 375 T N -0.178 114.444 114.554 0.114 0.000 2.770 375 T HA -0.059 4.291 4.350 -0.000 0.000 0.263 375 T C 1.921 176.664 174.700 0.073 0.000 1.039 375 T CA 1.510 63.719 62.100 0.182 0.000 1.142 375 T CB -0.275 68.781 68.868 0.313 0.000 0.868 375 T HN 0.428 nan 8.240 nan 0.000 0.435 376 M N 0.941 120.632 119.600 0.151 0.000 2.267 376 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 376 M C 1.818 178.094 176.300 -0.040 0.000 1.063 376 M CA 1.194 56.578 55.300 0.141 0.000 1.090 376 M CB -0.178 32.597 32.600 0.292 0.000 1.392 376 M HN 0.081 nan 8.290 nan 0.000 0.422 377 Q N -0.163 119.539 119.800 -0.163 0.000 2.320 377 Q HA 0.180 4.520 4.340 -0.000 0.000 0.201 377 Q C 0.673 176.450 176.000 -0.371 0.000 0.910 377 Q CA 0.439 56.077 55.803 -0.276 0.000 0.946 377 Q CB 0.414 29.046 28.738 -0.177 0.000 1.062 377 Q HN 0.653 nan 8.270 nan 0.000 0.503 378 G N 2.831 111.216 108.800 -0.691 0.000 2.324 378 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.292 378 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.292 378 G C 0.258 174.696 174.900 -0.770 0.000 1.079 378 G CA 0.445 44.698 45.100 -1.411 0.000 1.026 378 G HN 0.444 nan 8.290 nan 0.000 0.506 379 M N -0.833 118.516 119.600 -0.417 0.000 2.261 379 M HA 0.452 4.931 4.480 -0.000 0.000 0.350 379 M C 1.428 177.781 176.300 0.089 0.000 1.343 379 M CA 1.396 56.668 55.300 -0.046 0.000 1.003 379 M CB 0.742 33.421 32.600 0.132 0.000 1.848 379 M HN 1.639 nan 8.290 nan 0.000 0.456 380 G N 2.525 111.358 108.800 0.054 0.000 2.352 380 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.204 380 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.204 380 G C -0.017 174.903 174.900 0.033 0.000 1.004 380 G CA 0.052 45.198 45.100 0.077 0.000 0.648 380 G HN 0.999 nan 8.290 nan 0.000 0.491 381 K N 1.110 121.504 120.400 -0.011 0.000 2.107 381 K HA 0.601 4.921 4.320 -0.000 0.000 0.251 381 K C -2.863 173.672 176.600 -0.108 0.000 1.012 381 K CA -1.710 54.548 56.287 -0.049 0.000 0.920 381 K CB 0.938 33.400 32.500 -0.063 0.000 1.033 381 K HN 0.031 nan 8.250 nan 0.000 0.478 382 P HA -0.020 nan 4.420 nan 0.000 0.263 382 P C 0.373 177.476 177.300 -0.328 0.000 1.195 382 P CA 1.227 64.122 63.100 -0.343 0.000 0.762 382 P CB 0.469 31.798 31.700 -0.620 0.000 0.799 383 G N 1.931 110.652 108.800 -0.133 0.000 2.176 383 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.253 383 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.253 383 G C 0.232 174.819 174.900 -0.522 0.000 0.979 383 G CA 0.190 45.227 45.100 -0.106 0.000 0.641 383 G HN 0.784 nan 8.290 nan 0.000 0.530 384 S N -0.072 115.306 115.700 -0.538 0.000 2.750 384 S HA 0.676 5.146 4.470 -0.000 0.000 0.276 384 S C -0.864 173.533 174.600 -0.339 0.000 1.165 384 S CA -0.050 57.854 58.200 -0.493 0.000 1.047 384 S CB 1.124 64.167 63.200 -0.261 0.000 1.056 384 S HN 0.711 nan 8.310 nan 0.000 0.481 385 N N 2.570 121.089 118.700 -0.302 0.000 3.355 385 N HA 0.271 5.011 4.740 -0.000 0.000 0.238 385 N C -1.815 173.817 175.510 0.203 0.000 1.466 385 N CA -0.539 52.533 53.050 0.037 0.000 0.882 385 N CB 1.486 40.066 38.487 0.154 0.000 1.406 385 N HN 0.679 nan 8.380 nan 0.000 0.500 386 M N 1.740 121.480 119.600 0.232 0.000 2.063 386 M HA 0.372 4.851 4.480 -0.000 0.000 0.348 386 M C -1.616 174.856 176.300 0.287 0.000 1.180 386 M CA -0.445 54.993 55.300 0.230 0.000 1.059 386 M CB 0.375 33.090 32.600 0.192 0.000 1.544 386 M HN 0.512 nan 8.290 nan 0.000 0.447 387 W N 3.478 124.807 121.300 0.049 0.000 3.259 387 W HA 0.393 5.053 4.660 -0.000 0.000 0.331 387 W C -1.089 175.346 176.519 -0.140 0.000 1.144 387 W CA -0.604 56.715 57.345 -0.042 0.000 1.227 387 W CB 1.664 31.117 29.460 -0.011 0.000 1.371 387 W HN 0.502 nan 8.180 nan 0.000 0.491 388 S N 2.445 117.847 115.700 -0.497 0.000 2.582 388 S HA 0.041 4.511 4.470 -0.000 0.000 0.234 388 S C 1.355 175.466 174.600 -0.816 0.000 0.961 388 S CA 0.754 58.615 58.200 -0.566 0.000 0.953 388 S CB -0.100 62.944 63.200 -0.259 0.000 0.800 388 S HN 0.993 nan 8.310 nan 0.000 0.471 389 T N -1.138 112.360 114.554 -1.761 0.000 8.089 389 T HA -0.302 4.048 4.350 -0.000 0.000 0.315 389 T C 1.159 175.540 174.700 -0.533 0.000 2.025 389 T CA 2.109 63.282 62.100 -1.544 0.000 3.021 389 T CB -2.667 65.631 68.868 -0.950 0.000 2.356 389 T HN 0.587 nan 8.240 nan 0.000 1.220 390 T N -2.573 111.765 114.554 -0.361 0.000 3.039 390 T HA 0.341 4.691 4.350 -0.000 0.000 0.250 390 T C 0.977 175.640 174.700 -0.061 0.000 1.052 390 T CA 0.402 62.407 62.100 -0.158 0.000 1.125 390 T CB 0.240 69.017 68.868 -0.152 0.000 0.908 390 T HN 0.790 nan 8.240 nan 0.000 0.473 391 Q N -0.049 119.751 119.800 -0.000 0.000 2.823 391 Q HA 0.562 4.902 4.340 -0.000 0.000 0.230 391 Q C 0.854 176.977 176.000 0.204 0.000 1.026 391 Q CA -0.504 55.312 55.803 0.022 0.000 0.940 391 Q CB 0.942 29.610 28.738 -0.115 0.000 1.382 391 Q HN 0.394 nan 8.270 nan 0.000 0.502 392 G N -0.532 108.302 108.800 0.057 0.000 2.176 392 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.253 392 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.253 392 G C 0.041 174.945 174.900 0.007 0.000 0.979 392 G CA 0.127 45.247 45.100 0.033 0.000 0.641 392 G HN 0.314 nan 8.290 nan 0.000 0.530 393 V N 2.411 122.322 119.914 -0.004 0.000 2.655 393 V HA 0.281 4.401 4.120 -0.000 0.000 0.300 393 V C -0.568 175.386 176.094 -0.234 0.000 1.044 393 V CA -0.216 61.957 62.300 -0.213 0.000 1.095 393 V CB 1.122 32.857 31.823 -0.146 0.000 0.952 393 V HN 0.268 nan 8.190 nan 0.000 0.485 394 P HA 0.147 nan 4.420 nan 0.000 0.238 394 P C -0.170 176.852 177.300 -0.463 0.000 1.714 394 P CA 0.066 62.881 63.100 -0.475 0.000 0.908 394 P CB -0.060 31.385 31.700 -0.426 0.000 1.893 395 L N -0.012 121.001 121.223 -0.349 0.000 2.475 395 L HA 0.275 4.615 4.340 -0.000 0.000 0.253 395 L C 1.147 177.885 176.870 -0.219 0.000 1.198 395 L CA -0.548 54.233 54.840 -0.100 0.000 0.814 395 L CB 0.096 42.298 42.059 0.238 0.000 1.134 395 L HN -0.028 nan 8.230 nan 0.000 0.478 396 D N -0.112 120.301 120.400 0.023 0.000 2.398 396 D HA -0.004 4.636 4.640 -0.000 0.000 0.250 396 D C 0.789 177.291 176.300 0.337 0.000 1.287 396 D CA 0.409 54.469 54.000 0.100 0.000 0.992 396 D CB 0.015 40.913 40.800 0.163 0.000 1.071 396 D HN 0.301 nan 8.370 nan 0.000 0.514 397 Y N 1.199 121.714 120.300 0.358 0.000 2.497 397 Y HA -0.083 4.467 4.550 -0.000 0.000 0.292 397 Y C 1.900 178.027 175.900 0.378 0.000 1.137 397 Y CA 0.227 58.596 58.100 0.449 0.000 1.285 397 Y CB 0.333 38.999 38.460 0.343 0.000 0.991 397 Y HN 0.386 nan 8.280 nan 0.000 0.556 398 E N -0.073 120.385 120.200 0.430 0.000 2.442 398 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 398 E C -0.070 176.740 176.600 0.351 0.000 1.030 398 E CA -0.167 56.432 56.400 0.330 0.000 0.869 398 E CB 0.071 29.909 29.700 0.230 0.000 0.857 398 E HN 0.206 nan 8.360 nan 0.000 0.505 399 F N 1.481 121.591 119.950 0.267 0.000 2.456 399 F HA 0.136 4.663 4.527 -0.000 0.000 0.358 399 F C -0.505 175.479 175.800 0.307 0.000 1.095 399 F CA -0.815 57.342 58.000 0.262 0.000 1.216 399 F CB 0.352 39.488 39.000 0.227 0.000 1.125 399 F HN -0.170 nan 8.300 nan 0.000 0.549 400 Y N 8.088 128.004 120.300 -0.640 0.000 2.331 400 Y HA 0.489 5.039 4.550 -0.000 0.000 0.338 400 Y C -1.928 173.667 175.900 -0.509 0.000 0.976 400 Y CA -1.497 56.364 58.100 -0.398 0.000 1.137 400 Y CB 0.720 39.075 38.460 -0.175 0.000 1.172 400 Y HN 0.571 nan 8.280 nan 0.000 0.478 401 F N 8.938 128.274 119.950 -1.024 0.000 2.585 401 F HA 0.587 5.114 4.527 -0.000 0.000 0.319 401 F C -2.749 172.619 175.800 -0.720 0.000 1.165 401 F CA -2.665 54.867 58.000 -0.780 0.000 0.949 401 F CB 1.688 40.554 39.000 -0.223 0.000 1.218 401 F HN 0.389 nan 8.300 nan 0.000 0.453 402 P HA 0.250 nan 4.420 nan 0.000 0.267 402 P C -0.278 176.819 177.300 -0.339 0.000 1.200 402 P CA -0.000 62.653 63.100 -0.744 0.000 0.772 402 P CB 0.743 31.763 31.700 -1.132 0.000 0.855 403 G N 0.717 109.395 108.800 -0.204 0.000 2.488 403 G HA2 0.313 4.273 3.960 -0.000 0.000 0.318 403 G HA3 0.313 4.273 3.960 -0.000 0.000 0.318 403 G C 0.188 174.875 174.900 -0.354 0.000 1.188 403 G CA -0.542 44.434 45.100 -0.206 0.000 0.944 403 G HN 0.561 nan 8.290 nan 0.000 0.495 404 Y N -0.965 119.090 120.300 -0.408 0.000 2.274 404 Y HA 0.069 4.619 4.550 -0.000 0.000 0.290 404 Y C 2.429 177.981 175.900 -0.580 0.000 1.145 404 Y CA 1.048 58.787 58.100 -0.602 0.000 1.203 404 Y CB -0.792 36.945 38.460 -1.205 0.000 0.984 404 Y HN 0.359 nan 8.280 nan 0.000 0.533 405 A N 1.014 123.355 122.820 -0.798 0.000 2.121 405 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 405 A C 1.856 179.283 177.584 -0.261 0.000 1.154 405 A CA 1.164 52.816 52.037 -0.641 0.000 0.679 405 A CB -0.728 17.954 19.000 -0.530 0.000 0.795 405 A HN 0.648 nan 8.150 nan 0.000 0.458 406 E N -1.166 118.918 120.200 -0.192 0.000 2.512 406 E HA 0.185 4.535 4.350 -0.000 0.000 0.195 406 E C 1.315 177.948 176.600 0.054 0.000 1.083 406 E CA 0.278 56.659 56.400 -0.031 0.000 0.873 406 E CB -0.238 29.431 29.700 -0.053 0.000 0.897 406 E HN 0.742 nan 8.360 nan 0.000 0.514 407 G N 0.426 109.276 108.800 0.085 0.000 2.241 407 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.244 407 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.244 407 G C 0.904 175.964 174.900 0.267 0.000 0.998 407 G CA 0.018 45.253 45.100 0.226 0.000 0.621 407 G HN 0.693 nan 8.290 nan 0.000 0.519 408 G N 0.872 109.807 108.800 0.225 0.000 2.685 408 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.329 408 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.329 408 G C 1.378 176.549 174.900 0.452 0.000 1.271 408 G CA 2.470 47.816 45.100 0.410 0.000 1.003 408 G HN 1.994 nan 8.290 nan 0.000 0.549 409 I N 0.068 120.746 120.570 0.180 0.000 3.564 409 I HA 0.300 4.470 4.170 -0.000 0.000 0.294 409 I C 2.226 178.405 176.117 0.103 0.000 1.289 409 I CA 1.565 62.836 61.300 -0.050 0.000 1.325 409 I CB 0.032 37.531 38.000 -0.834 0.000 1.039 409 I HN 0.474 nan 8.210 nan 0.000 0.474 410 S N 0.955 116.766 115.700 0.185 0.000 2.404 410 S HA 0.222 4.691 4.470 -0.000 0.000 0.223 410 S C 1.907 176.518 174.600 0.019 0.000 1.040 410 S CA 0.576 58.846 58.200 0.117 0.000 0.957 410 S CB -0.539 62.760 63.200 0.164 0.000 0.826 410 S HN 0.734 nan 8.310 nan 0.000 0.491 411 G N 1.921 110.791 108.800 0.116 0.000 2.168 411 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.257 411 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.257 411 G C -0.194 174.596 174.900 -0.182 0.000 0.997 411 G CA 0.362 45.408 45.100 -0.090 0.000 0.708 411 G HN 0.678 nan 8.290 nan 0.000 0.520 412 D N -0.042 120.297 120.400 -0.101 0.000 2.349 412 D HA 0.225 4.865 4.640 -0.000 0.000 0.266 412 D C 1.580 177.797 176.300 -0.138 0.000 1.293 412 D CA 0.086 53.987 54.000 -0.164 0.000 0.926 412 D CB 0.064 40.717 40.800 -0.245 0.000 1.090 412 D HN 0.186 nan 8.370 nan 0.000 0.502 413 C N 3.065 122.273 119.300 -0.153 0.000 2.448 413 C HA -0.042 4.418 4.460 -0.000 0.000 0.280 413 C C 2.197 177.150 174.990 -0.062 0.000 1.398 413 C CA 0.235 59.186 59.018 -0.112 0.000 1.774 413 C CB -0.656 27.017 27.740 -0.112 0.000 1.888 413 C HN 0.748 nan 8.230 nan 0.000 0.519 414 E N 0.493 120.635 120.200 -0.097 0.000 2.307 414 E HA 0.008 4.358 4.350 -0.000 0.000 0.195 414 E C 1.373 177.922 176.600 -0.084 0.000 0.975 414 E CA 0.503 56.859 56.400 -0.073 0.000 0.878 414 E CB 0.076 29.717 29.700 -0.098 0.000 0.845 414 E HN 0.561 nan 8.360 nan 0.000 0.488 415 N N 0.429 119.019 118.700 -0.184 0.000 2.205 415 N HA 0.044 4.783 4.740 -0.000 0.000 0.201 415 N C -0.311 175.219 175.510 0.033 0.000 1.128 415 N CA 0.428 53.357 53.050 -0.201 0.000 0.867 415 N CB 1.405 39.471 38.487 -0.702 0.000 0.996 415 N HN 0.089 nan 8.380 nan 0.000 0.503 416 S N -1.197 114.537 115.700 0.057 0.000 2.685 416 S HA 0.668 5.138 4.470 -0.000 0.000 0.282 416 S C -0.064 174.574 174.600 0.063 0.000 1.159 416 S CA -0.681 57.621 58.200 0.171 0.000 0.833 416 S CB 1.908 65.240 63.200 0.220 0.000 1.151 416 S HN -0.033 nan 8.310 nan 0.000 0.485 417 A N 0.157 123.008 122.820 0.051 0.000 2.370 417 A HA 0.664 4.984 4.320 -0.000 0.000 0.238 417 A C 1.798 179.478 177.584 0.159 0.000 1.289 417 A CA 0.437 52.534 52.037 0.100 0.000 0.885 417 A CB -1.365 17.718 19.000 0.138 0.000 0.961 417 A HN 1.345 nan 8.150 nan 0.000 0.499 418 A N 0.027 122.901 122.820 0.089 0.000 1.908 418 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 418 A C 2.283 179.775 177.584 -0.153 0.000 1.181 418 A CA 1.828 53.893 52.037 0.045 0.000 0.627 418 A CB -1.141 17.872 19.000 0.022 0.000 0.818 418 A HN 0.830 nan 8.150 nan 0.000 0.445 419 G N -1.746 106.966 108.800 -0.147 0.000 2.479 419 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.220 419 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.220 419 G C 1.327 176.246 174.900 0.031 0.000 1.115 419 G CA 1.067 46.056 45.100 -0.185 0.000 0.757 419 G HN 0.486 nan 8.290 nan 0.000 0.560 420 F N 0.353 120.233 119.950 -0.117 0.000 2.084 420 F HA 0.144 4.671 4.527 -0.000 0.000 0.296 420 F C 2.302 178.008 175.800 -0.156 0.000 1.111 420 F CA 2.148 60.008 58.000 -0.232 0.000 1.224 420 F CB 0.223 38.818 39.000 -0.675 0.000 0.991 420 F HN 0.165 nan 8.300 nan 0.000 0.471 421 K N -3.097 117.256 120.400 -0.077 0.000 3.019 421 K HA -0.029 4.290 4.320 -0.000 0.000 0.192 421 K C 1.834 178.407 176.600 -0.045 0.000 1.680 421 K CA 0.141 56.361 56.287 -0.111 0.000 1.375 421 K CB -0.845 31.465 32.500 -0.316 0.000 1.968 421 K HN 0.070 nan 8.250 nan 0.000 0.624 422 F N 2.768 122.667 119.950 -0.085 0.000 2.069 422 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 422 F C 2.038 177.729 175.800 -0.181 0.000 1.113 422 F CA 2.266 60.220 58.000 -0.077 0.000 1.214 422 F CB -0.555 38.427 39.000 -0.030 0.000 0.978 422 F HN 0.192 nan 8.300 nan 0.000 0.474 423 A N -0.377 122.254 122.820 -0.315 0.000 1.958 423 A HA -0.284 4.036 4.320 -0.000 0.000 0.221 423 A C 2.146 179.493 177.584 -0.395 0.000 1.178 423 A CA 1.998 53.786 52.037 -0.415 0.000 0.642 423 A CB -1.869 16.680 19.000 -0.750 0.000 0.816 423 A HN 0.701 nan 8.150 nan 0.000 0.453 424 W N -0.978 120.252 121.300 -0.117 0.000 2.519 424 W HA 0.015 4.675 4.660 -0.000 0.000 0.266 424 W C 2.496 178.883 176.519 -0.219 0.000 1.253 424 W CA 0.560 57.813 57.345 -0.154 0.000 1.274 424 W CB -0.019 29.328 29.460 -0.188 0.000 1.114 424 W HN 0.240 nan 8.180 nan 0.000 0.596 425 R N -0.767 119.630 120.500 -0.173 0.000 2.146 425 R HA 0.065 4.404 4.340 -0.000 0.000 0.206 425 R C 2.039 178.058 176.300 -0.468 0.000 1.049 425 R CA 0.807 56.739 56.100 -0.280 0.000 1.029 425 R CB -0.471 29.665 30.300 -0.273 0.000 0.949 425 R HN 0.125 nan 8.270 nan 0.000 0.471 426 M N 0.071 119.184 119.600 -0.813 0.000 2.254 426 M HA 0.061 4.541 4.480 -0.000 0.000 0.265 426 M C -0.417 175.304 176.300 -0.964 0.000 1.066 426 M CA 1.576 56.246 55.300 -1.049 0.000 1.123 426 M CB 0.390 32.026 32.600 -1.608 0.000 1.388 426 M HN -0.175 nan 8.290 nan 0.000 0.425 427 F N 0.079 119.854 119.950 -0.292 0.000 2.492 427 F HA 0.311 4.838 4.527 -0.000 0.000 0.327 427 F C 0.649 176.334 175.800 -0.192 0.000 1.079 427 F CA -0.986 56.880 58.000 -0.223 0.000 0.967 427 F CB 1.014 39.896 39.000 -0.198 0.000 1.169 427 F HN 0.136 nan 8.300 nan 0.000 0.472 428 D N -0.901 119.450 120.400 -0.082 0.000 2.433 428 D HA 0.179 4.819 4.640 -0.000 0.000 0.211 428 D C 1.455 177.675 176.300 -0.133 0.000 1.114 428 D CA 0.251 54.186 54.000 -0.110 0.000 0.837 428 D CB 0.283 40.998 40.800 -0.141 0.000 0.984 428 D HN 0.784 nan 8.370 nan 0.000 0.505 429 G N 0.722 109.383 108.800 -0.231 0.000 2.258 429 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.274 429 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.274 429 G C 0.792 175.612 174.900 -0.133 0.000 1.021 429 G CA 1.109 46.109 45.100 -0.168 0.000 0.798 429 G HN 0.492 nan 8.290 nan 0.000 0.507 430 K N -2.437 117.765 120.400 -0.329 0.000 2.757 430 K HA 0.140 4.460 4.320 -0.000 0.000 0.201 430 K C 2.362 178.930 176.600 -0.054 0.000 1.495 430 K CA 0.890 57.127 56.287 -0.083 0.000 1.090 430 K CB 0.153 32.616 32.500 -0.061 0.000 1.796 430 K HN 0.371 nan 8.250 nan 0.000 0.523 431 T N -2.175 112.240 114.554 -0.231 0.000 2.987 431 T HA 0.086 4.436 4.350 -0.000 0.000 0.248 431 T C 0.734 175.378 174.700 -0.094 0.000 0.997 431 T CA 0.135 62.199 62.100 -0.060 0.000 1.013 431 T CB 0.643 69.476 68.868 -0.060 0.000 1.077 431 T HN -0.003 nan 8.240 nan 0.000 0.483 432 T N 1.230 115.566 114.554 -0.364 0.000 2.824 432 T HA 0.671 5.021 4.350 -0.000 0.000 0.282 432 T C -1.890 172.667 174.700 -0.240 0.000 0.993 432 T CA -0.779 61.265 62.100 -0.094 0.000 0.967 432 T CB 0.610 69.465 68.868 -0.021 0.000 0.960 432 T HN 0.179 nan 8.240 nan 0.000 0.441 433 F N 4.320 124.485 119.950 0.359 0.000 2.577 433 F HA 0.609 5.136 4.527 -0.000 0.000 0.318 433 F C -2.169 173.562 175.800 -0.115 0.000 1.065 433 F CA -2.417 55.675 58.000 0.153 0.000 0.929 433 F CB 1.452 40.485 39.000 0.055 0.000 1.237 433 F HN 0.369 nan 8.300 nan 0.000 0.468 434 P HA 0.181 nan 4.420 nan 0.000 0.275 434 P C -0.861 176.302 177.300 -0.229 0.000 1.266 434 P CA -0.554 62.087 63.100 -0.764 0.000 0.793 434 P CB 0.883 32.073 31.700 -0.849 0.000 1.074 435 S N 0.501 116.090 115.700 -0.185 0.000 2.399 435 S HA 0.492 4.962 4.470 -0.000 0.000 0.215 435 S C -2.687 171.842 174.600 -0.118 0.000 1.456 435 S CA -1.728 56.422 58.200 -0.083 0.000 1.199 435 S CB -0.529 62.668 63.200 -0.005 0.000 1.063 435 S HN 0.132 nan 8.310 nan 0.000 0.476 436 P HA 0.319 nan 4.420 nan 0.000 0.276 436 P C -1.003 176.226 177.300 -0.118 0.000 1.252 436 P CA -0.471 62.550 63.100 -0.132 0.000 0.802 436 P CB 0.921 32.557 31.700 -0.107 0.000 1.035 437 S N 1.103 116.718 115.700 -0.141 0.000 2.552 437 S HA 0.264 4.734 4.470 -0.000 0.000 0.314 437 S C 0.632 175.161 174.600 -0.118 0.000 1.099 437 S CA -0.696 57.426 58.200 -0.129 0.000 1.070 437 S CB -0.177 62.914 63.200 -0.181 0.000 0.998 437 S HN 0.442 nan 8.310 nan 0.000 0.474 438 N N 5.578 124.232 118.700 -0.076 0.000 2.322 438 N HA 0.097 4.837 4.740 -0.000 0.000 0.194 438 N C 0.807 176.288 175.510 -0.047 0.000 1.126 438 N CA 0.063 53.086 53.050 -0.044 0.000 0.845 438 N CB -0.020 38.464 38.487 -0.005 0.000 0.976 438 N HN 0.593 nan 8.380 nan 0.000 0.475 439 L N -0.660 120.486 121.223 -0.128 0.000 2.526 439 L HA 0.189 4.529 4.340 -0.000 0.000 0.210 439 L C 0.492 177.198 176.870 -0.274 0.000 1.048 439 L CA 0.026 54.736 54.840 -0.216 0.000 0.852 439 L CB -0.046 41.849 42.059 -0.273 0.000 1.128 439 L HN 0.001 nan 8.230 nan 0.000 0.482 440 N N 1.254 119.752 118.700 -0.335 0.000 3.050 440 N HA 0.044 4.784 4.740 -0.000 0.000 0.289 440 N C -0.662 174.719 175.510 -0.216 0.000 1.209 440 N CA 0.420 53.276 53.050 -0.323 0.000 1.154 440 N CB -0.056 38.151 38.487 -0.467 0.000 1.444 440 N HN 0.061 nan 8.380 nan 0.000 0.529 441 T N -1.015 113.457 114.554 -0.137 0.000 2.821 441 T HA 0.258 4.608 4.350 -0.000 0.000 0.306 441 T C 0.925 175.617 174.700 -0.012 0.000 1.313 441 T CA -0.468 61.580 62.100 -0.088 0.000 1.012 441 T CB 0.840 69.669 68.868 -0.065 0.000 1.298 441 T HN 0.114 nan 8.240 nan 0.000 0.502 442 S N 1.145 116.853 115.700 0.014 0.000 2.370 442 S HA -0.054 4.416 4.470 -0.000 0.000 0.226 442 S C 2.118 176.839 174.600 0.202 0.000 1.033 442 S CA 1.526 59.822 58.200 0.159 0.000 1.011 442 S CB -0.471 62.759 63.200 0.050 0.000 0.852 442 S HN 0.817 nan 8.310 nan 0.000 0.457 443 A N 0.904 123.789 122.820 0.109 0.000 2.206 443 A HA 0.403 4.723 4.320 -0.000 0.000 0.211 443 A C 1.437 179.151 177.584 0.216 0.000 1.158 443 A CA 0.912 53.033 52.037 0.140 0.000 0.761 443 A CB -0.561 18.493 19.000 0.090 0.000 0.801 443 A HN 0.485 nan 8.150 nan 0.000 0.473 444 G N -0.981 107.912 108.800 0.154 0.000 3.182 444 G HA2 0.453 4.412 3.960 -0.000 0.000 0.167 444 G HA3 0.453 4.412 3.960 -0.000 0.000 0.167 444 G C -0.174 174.677 174.900 -0.081 0.000 1.537 444 G CA 0.055 45.188 45.100 0.055 0.000 1.046 444 G HN 0.420 nan 8.290 nan 0.000 0.580 445 Q N -0.442 119.163 119.800 -0.324 0.000 2.268 445 Q HA 0.413 4.753 4.340 -0.000 0.000 0.266 445 Q C -1.490 174.499 176.000 -0.017 0.000 1.006 445 Q CA -0.906 54.805 55.803 -0.155 0.000 0.824 445 Q CB 1.672 30.194 28.738 -0.360 0.000 1.306 445 Q HN 0.922 nan 8.270 nan 0.000 0.424 446 H N 3.295 122.391 119.070 0.043 0.000 2.966 446 H HA 0.761 5.317 4.556 -0.000 0.000 0.330 446 H C -1.164 174.226 175.328 0.104 0.000 1.292 446 H CA -0.837 55.221 56.048 0.017 0.000 1.127 446 H CB 1.501 31.266 29.762 0.004 0.000 1.863 446 H HN 0.738 nan 8.280 nan 0.000 0.543 447 I N -2.479 117.889 120.570 -0.335 0.000 2.994 447 I HA 0.557 4.727 4.170 -0.000 0.000 0.306 447 I C -3.288 172.497 176.117 -0.554 0.000 1.195 447 I CA -2.856 58.050 61.300 -0.656 0.000 1.001 447 I CB 3.084 40.692 38.000 -0.653 0.000 1.244 447 I HN 0.180 nan 8.210 nan 0.000 0.437 448 P HA 0.256 nan 4.420 nan 0.000 0.276 448 P C 0.084 177.198 177.300 -0.309 0.000 1.235 448 P CA -0.330 62.491 63.100 -0.464 0.000 0.772 448 P CB 1.086 32.462 31.700 -0.540 0.000 0.871 449 R N 3.739 124.157 120.500 -0.137 0.000 2.105 449 R HA -0.121 4.219 4.340 -0.000 0.000 0.239 449 R C 1.447 177.678 176.300 -0.114 0.000 1.135 449 R CA 1.547 57.587 56.100 -0.100 0.000 0.967 449 R CB -0.641 29.646 30.300 -0.021 0.000 0.861 449 R HN 0.435 nan 8.270 nan 0.000 0.442 450 L N 0.295 121.469 121.223 -0.082 0.000 2.362 450 L HA -0.068 4.272 4.340 -0.000 0.000 0.219 450 L C 1.144 177.864 176.870 -0.250 0.000 1.134 450 L CA 0.925 55.726 54.840 -0.065 0.000 0.807 450 L CB 0.020 42.110 42.059 0.052 0.000 0.927 450 L HN 0.046 nan 8.230 nan 0.000 0.447 451 K N -0.378 119.776 120.400 -0.410 0.000 2.676 451 K HA 0.313 4.633 4.320 -0.000 0.000 0.205 451 K C 1.296 177.467 176.600 -0.715 0.000 1.084 451 K CA -0.022 55.841 56.287 -0.706 0.000 1.057 451 K CB 0.736 32.559 32.500 -1.128 0.000 0.791 451 K HN 0.196 nan 8.250 nan 0.000 0.484 452 I N 1.541 121.777 120.570 -0.555 0.000 2.226 452 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 452 I C -0.861 174.900 176.117 -0.593 0.000 1.100 452 I CA 1.276 62.252 61.300 -0.540 0.000 1.374 452 I CB -1.007 36.793 38.000 -0.333 0.000 1.057 452 I HN 0.038 nan 8.210 nan 0.000 0.413 453 P HA -0.166 nan 4.420 nan 0.000 0.215 453 P C 1.266 178.264 177.300 -0.502 0.000 1.157 453 P CA 1.398 64.120 63.100 -0.629 0.000 0.868 453 P CB 0.044 31.282 31.700 -0.770 0.000 0.788 454 E N -1.246 118.632 120.200 -0.536 0.000 2.106 454 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 454 E C 2.090 178.484 176.600 -0.342 0.000 0.984 454 E CA 0.955 57.096 56.400 -0.432 0.000 0.806 454 E CB -1.407 27.959 29.700 -0.556 0.000 0.750 454 E HN 0.228 nan 8.360 nan 0.000 0.458 455 C N 0.134 119.167 119.300 -0.445 0.000 2.446 455 C HA -0.038 4.422 4.460 -0.000 0.000 0.277 455 C C 2.517 177.377 174.990 -0.216 0.000 1.275 455 C CA 0.305 59.117 59.018 -0.342 0.000 1.727 455 C CB -0.796 26.470 27.740 -0.790 0.000 2.010 455 C HN 0.380 nan 8.230 nan 0.000 0.486 456 I N 0.470 120.829 120.570 -0.352 0.000 2.133 456 I HA -0.230 3.940 4.170 -0.000 0.000 0.238 456 I C 2.538 178.356 176.117 -0.498 0.000 1.074 456 I CA 1.736 62.838 61.300 -0.330 0.000 1.342 456 I CB -0.389 37.403 38.000 -0.348 0.000 1.053 456 I HN 0.316 nan 8.210 nan 0.000 0.404 457 M N -0.022 119.256 119.600 -0.538 0.000 2.200 457 M HA -0.016 4.464 4.480 -0.000 0.000 0.265 457 M C 2.213 178.303 176.300 -0.350 0.000 1.066 457 M CA 1.709 56.602 55.300 -0.678 0.000 1.127 457 M CB -0.624 31.783 32.600 -0.323 0.000 1.379 457 M HN 0.318 nan 8.290 nan 0.000 0.420 458 G N -0.693 107.989 108.800 -0.196 0.000 2.539 458 G HA2 0.224 4.184 3.960 -0.000 0.000 0.215 458 G HA3 0.224 4.184 3.960 -0.000 0.000 0.215 458 G C 1.226 176.133 174.900 0.012 0.000 1.141 458 G CA 0.602 45.669 45.100 -0.055 0.000 0.806 458 G HN 0.607 nan 8.290 nan 0.000 0.533 459 G N -0.783 108.039 108.800 0.037 0.000 2.155 459 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 459 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 459 G C 0.138 175.126 174.900 0.147 0.000 0.983 459 G CA 1.004 46.174 45.100 0.117 0.000 0.676 459 G HN 0.841 nan 8.290 nan 0.000 0.528 460 K N -1.644 118.917 120.400 0.269 0.000 2.610 460 K HA 0.684 5.004 4.320 -0.000 0.000 0.278 460 K C -2.003 174.901 176.600 0.508 0.000 0.964 460 K CA -0.952 55.521 56.287 0.309 0.000 0.859 460 K CB 1.353 33.941 32.500 0.147 0.000 1.434 460 K HN 0.441 nan 8.250 nan 0.000 0.410 461 F N 1.197 121.358 119.950 0.353 0.000 2.744 461 F HA 0.376 4.903 4.527 -0.000 0.000 0.311 461 F C -1.894 174.211 175.800 0.508 0.000 1.144 461 F CA -0.448 57.776 58.000 0.374 0.000 0.938 461 F CB 1.983 41.171 39.000 0.315 0.000 1.292 461 F HN 0.395 nan 8.300 nan 0.000 0.444 462 Q N 3.421 123.071 119.800 -0.251 0.000 2.289 462 Q HA 0.510 4.850 4.340 -0.000 0.000 0.270 462 Q C -1.915 174.003 176.000 -0.137 0.000 1.038 462 Q CA -0.379 55.351 55.803 -0.121 0.000 0.812 462 Q CB 2.818 31.485 28.738 -0.117 0.000 1.300 462 Q HN 0.788 nan 8.270 nan 0.000 0.427 463 W N 1.031 122.312 121.300 -0.033 0.000 2.874 463 W HA 0.729 5.389 4.660 -0.000 0.000 0.403 463 W C -1.513 175.195 176.519 0.314 0.000 1.144 463 W CA -0.775 56.648 57.345 0.129 0.000 1.175 463 W CB 0.432 30.066 29.460 0.289 0.000 1.483 463 W HN 0.321 nan 8.180 nan 0.000 0.591 464 S N 1.239 117.250 115.700 0.518 0.000 2.454 464 S HA 0.730 5.200 4.470 -0.000 0.000 0.306 464 S C 0.094 175.162 174.600 0.781 0.000 1.100 464 S CA 0.204 58.704 58.200 0.501 0.000 1.087 464 S CB 0.837 64.305 63.200 0.446 0.000 1.019 464 S HN 1.612 nan 8.310 nan 0.000 0.480 465 G N 2.147 111.434 108.800 0.811 0.000 2.785 465 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.685 465 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.685 465 G C -0.819 174.437 174.900 0.594 0.000 1.480 465 G CA -0.619 44.955 45.100 0.790 0.000 0.915 465 G HN 0.758 nan 8.290 nan 0.000 0.576 466 K N 1.264 121.800 120.400 0.228 0.000 2.394 466 K HA 0.593 4.913 4.320 -0.000 0.000 0.260 466 K C 1.401 178.001 176.600 0.001 0.000 0.967 466 K CA 0.502 56.696 56.287 -0.155 0.000 0.855 466 K CB 0.731 32.817 32.500 -0.689 0.000 1.101 466 K HN 2.363 nan 8.250 nan 0.000 0.433 467 G N 3.397 112.249 108.800 0.086 0.000 2.684 467 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.332 467 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.332 467 G C -0.441 174.641 174.900 0.304 0.000 1.306 467 G CA 0.275 45.468 45.100 0.155 0.000 1.002 467 G HN 0.554 nan 8.290 nan 0.000 0.545 468 F N 2.423 122.360 119.950 -0.023 0.000 2.405 468 F HA 0.584 5.111 4.527 -0.000 0.000 0.358 468 F C 1.171 176.916 175.800 -0.091 0.000 1.151 468 F CA -0.972 56.914 58.000 -0.189 0.000 1.161 468 F CB 0.521 39.351 39.000 -0.284 0.000 1.245 468 F HN 0.662 nan 8.300 nan 0.000 0.545 469 A N 2.623 125.548 122.820 0.176 0.000 3.126 469 A HA 0.489 4.809 4.320 -0.000 0.000 0.268 469 A C 1.530 179.092 177.584 -0.036 0.000 1.605 469 A CA 0.145 52.256 52.037 0.124 0.000 1.305 469 A CB -0.869 18.196 19.000 0.108 0.000 1.160 469 A HN 0.822 nan 8.150 nan 0.000 0.609 470 G N -0.026 108.760 108.800 -0.023 0.000 2.985 470 G HA2 0.215 4.175 3.960 -0.000 0.000 0.209 470 G HA3 0.215 4.175 3.960 -0.000 0.000 0.209 470 G C 1.195 176.168 174.900 0.123 0.000 1.165 470 G CA 0.788 45.859 45.100 -0.047 0.000 0.776 470 G HN 0.695 nan 8.290 nan 0.000 0.541 471 G N -0.069 108.840 108.800 0.181 0.000 2.476 471 G HA2 0.011 3.971 3.960 -0.000 0.000 0.218 471 G HA3 0.011 3.971 3.960 -0.000 0.000 0.218 471 G C 0.396 175.126 174.900 -0.283 0.000 1.164 471 G CA 1.252 46.417 45.100 0.108 0.000 0.768 471 G HN 0.496 nan 8.290 nan 0.000 0.560 472 D N -3.143 116.813 120.400 -0.740 0.000 2.623 472 D HA 0.253 4.893 4.640 -0.000 0.000 0.241 472 D C 1.330 177.386 176.300 -0.408 0.000 1.241 472 D CA -0.773 52.898 54.000 -0.549 0.000 0.788 472 D CB 0.401 40.816 40.800 -0.642 0.000 1.413 472 D HN -0.077 nan 8.370 nan 0.000 0.429 473 I N 0.376 120.795 120.570 -0.252 0.000 2.145 473 I HA -0.269 3.901 4.170 -0.000 0.000 0.244 473 I C 1.545 177.549 176.117 -0.189 0.000 1.075 473 I CA 1.283 62.429 61.300 -0.257 0.000 1.332 473 I CB -0.250 37.656 38.000 -0.157 0.000 1.033 473 I HN 0.233 nan 8.210 nan 0.000 0.410 474 S N -1.320 114.337 115.700 -0.071 0.000 2.593 474 S HA 0.003 4.473 4.470 -0.000 0.000 0.217 474 S C 1.474 176.145 174.600 0.117 0.000 0.966 474 S CA -0.056 58.156 58.200 0.020 0.000 0.914 474 S CB -0.470 62.754 63.200 0.040 0.000 0.776 474 S HN 0.489 nan 8.310 nan 0.000 0.523 475 H N 2.114 121.172 119.070 -0.019 0.000 2.387 475 H HA -0.137 4.418 4.556 -0.000 0.000 0.299 475 H C 2.392 177.774 175.328 0.090 0.000 1.090 475 H CA 1.393 57.465 56.048 0.039 0.000 1.332 475 H CB 0.042 29.822 29.762 0.030 0.000 1.386 475 H HN 0.597 nan 8.280 nan 0.000 0.516 476 Q N 1.006 120.891 119.800 0.143 0.000 2.437 476 Q HA -0.083 4.257 4.340 -0.000 0.000 0.210 476 Q C 1.630 177.777 176.000 0.244 0.000 0.972 476 Q CA 0.897 56.804 55.803 0.173 0.000 0.903 476 Q CB -0.108 28.593 28.738 -0.061 0.000 0.967 476 Q HN 0.513 nan 8.270 nan 0.000 0.486 477 L N 0.030 121.279 121.223 0.044 0.000 2.446 477 L HA 0.106 4.446 4.340 -0.000 0.000 0.219 477 L C 1.394 178.205 176.870 -0.098 0.000 1.116 477 L CA -0.253 54.448 54.840 -0.232 0.000 0.844 477 L CB -0.414 41.266 42.059 -0.630 0.000 0.970 477 L HN 0.359 nan 8.230 nan 0.000 0.457 478 H N 2.327 121.371 119.070 -0.044 0.000 3.001 478 H HA 0.025 4.581 4.556 -0.000 0.000 0.334 478 H C -0.242 174.939 175.328 -0.245 0.000 1.034 478 H CA 0.448 56.401 56.048 -0.159 0.000 1.420 478 H CB 0.747 30.399 29.762 -0.183 0.000 1.405 478 H HN 0.092 nan 8.280 nan 0.000 0.593 479 Q N 4.610 124.052 119.800 -0.597 0.000 2.243 479 Q HA 0.220 4.560 4.340 -0.000 0.000 0.252 479 Q C -0.832 174.811 176.000 -0.595 0.000 0.909 479 Q CA -0.253 55.313 55.803 -0.395 0.000 0.922 479 Q CB 1.192 29.777 28.738 -0.256 0.000 1.215 479 Q HN 0.520 nan 8.270 nan 0.000 0.427 480 Y N -0.234 119.824 120.300 -0.403 0.000 2.634 480 Y HA 0.437 4.987 4.550 -0.000 0.000 0.340 480 Y C 0.260 175.589 175.900 -0.951 0.000 1.058 480 Y CA -0.972 56.740 58.100 -0.648 0.000 1.081 480 Y CB 1.914 39.861 38.460 -0.855 0.000 1.295 480 Y HN 0.530 nan 8.280 nan 0.000 0.487 481 E N 0.144 120.032 120.200 -0.520 0.000 2.413 481 E HA 0.493 4.843 4.350 -0.000 0.000 0.277 481 E C -2.268 174.443 176.600 0.185 0.000 0.958 481 E CA -1.127 55.137 56.400 -0.227 0.000 0.779 481 E CB 3.053 32.718 29.700 -0.057 0.000 1.278 481 E HN 0.554 nan 8.360 nan 0.000 0.456 482 Y N 1.550 122.037 120.300 0.313 0.000 2.421 482 Y HA 0.424 4.974 4.550 -0.000 0.000 0.339 482 Y C -2.855 173.171 175.900 0.210 0.000 0.996 482 Y CA -2.292 56.007 58.100 0.330 0.000 1.046 482 Y CB 2.263 40.985 38.460 0.437 0.000 1.226 482 Y HN 0.397 nan 8.280 nan 0.000 0.445 483 P HA 0.250 nan 4.420 nan 0.000 0.275 483 P C -0.738 176.577 177.300 0.025 0.000 1.228 483 P CA -0.102 62.731 63.100 -0.445 0.000 0.786 483 P CB 1.254 32.694 31.700 -0.434 0.000 0.927 484 A N 4.819 127.764 122.820 0.208 0.000 2.445 484 A HA 0.308 4.628 4.320 -0.000 0.000 0.242 484 A C -2.012 175.715 177.584 0.237 0.000 1.075 484 A CA -1.218 50.980 52.037 0.270 0.000 0.777 484 A CB -1.546 17.684 19.000 0.384 0.000 1.013 484 A HN 0.416 nan 8.150 nan 0.000 0.493 485 P HA 0.133 nan 4.420 nan 0.000 0.258 485 P C 1.116 178.395 177.300 -0.034 0.000 1.172 485 P CA 2.210 65.343 63.100 0.056 0.000 0.762 485 P CB 0.293 32.019 31.700 0.043 0.000 0.764 486 G N 1.695 110.451 108.800 -0.074 0.000 2.267 486 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.257 486 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.257 486 G C 0.083 174.845 174.900 -0.231 0.000 0.998 486 G CA -0.267 44.722 45.100 -0.186 0.000 0.620 486 G HN 0.459 nan 8.290 nan 0.000 0.529 487 Y N 0.953 121.280 120.300 0.045 0.000 2.334 487 Y HA 0.615 5.165 4.550 -0.000 0.000 0.325 487 Y C 1.104 177.033 175.900 0.048 0.000 1.308 487 Y CA 0.224 58.360 58.100 0.060 0.000 1.389 487 Y CB 1.292 39.800 38.460 0.079 0.000 1.328 487 Y HN 0.187 nan 8.280 nan 0.000 0.532 488 S N 0.584 116.456 115.700 0.287 0.000 2.565 488 S HA 0.373 4.843 4.470 -0.000 0.000 0.290 488 S C -0.642 174.027 174.600 0.114 0.000 1.150 488 S CA -0.953 57.348 58.200 0.169 0.000 1.058 488 S CB 0.484 63.817 63.200 0.221 0.000 1.032 488 S HN 0.530 nan 8.310 nan 0.000 0.510 489 K N 2.194 122.600 120.400 0.010 0.000 2.230 489 K HA 0.237 4.557 4.320 -0.000 0.000 0.253 489 K C 0.004 176.671 176.600 0.112 0.000 1.008 489 K CA -0.539 55.764 56.287 0.027 0.000 0.910 489 K CB 0.210 32.679 32.500 -0.051 0.000 0.994 489 K HN 0.501 nan 8.250 nan 0.000 0.495 490 I N 2.806 123.504 120.570 0.213 0.000 2.618 490 I HA -0.076 4.094 4.170 -0.000 0.000 0.284 490 I C 1.188 177.335 176.117 0.049 0.000 1.146 490 I CA 0.717 62.077 61.300 0.100 0.000 1.425 490 I CB 0.454 38.452 38.000 -0.003 0.000 1.383 490 I HN 0.601 nan 8.210 nan 0.000 0.562 491 K N 4.920 125.363 120.400 0.071 0.000 2.474 491 K HA 0.322 4.642 4.320 -0.000 0.000 0.202 491 K C 0.180 176.897 176.600 0.195 0.000 1.248 491 K CA 0.378 56.714 56.287 0.082 0.000 0.946 491 K CB 0.967 33.485 32.500 0.029 0.000 1.102 491 K HN 0.572 nan 8.250 nan 0.000 0.541 492 M N 0.008 119.748 119.600 0.235 0.000 2.518 492 M HA 0.426 4.906 4.480 -0.000 0.000 0.300 492 M C -1.809 174.701 176.300 0.350 0.000 1.175 492 M CA -0.741 54.752 55.300 0.322 0.000 0.890 492 M CB 2.346 35.179 32.600 0.388 0.000 1.710 492 M HN -0.027 nan 8.290 nan 0.000 0.453 493 F N 4.830 124.866 119.950 0.142 0.000 2.553 493 F HA 0.381 4.908 4.527 -0.000 0.000 0.335 493 F C -1.748 174.162 175.800 0.182 0.000 1.148 493 F CA -0.693 57.401 58.000 0.156 0.000 0.963 493 F CB 1.142 40.196 39.000 0.091 0.000 1.217 493 F HN 0.689 nan 8.300 nan 0.000 0.441 494 W N 9.143 130.707 121.300 0.440 0.000 2.316 494 W HA 0.335 4.995 4.660 -0.000 0.000 0.339 494 W C -1.011 175.573 176.519 0.109 0.000 1.002 494 W CA -0.941 56.509 57.345 0.175 0.000 1.465 494 W CB 0.814 30.402 29.460 0.213 0.000 1.300 494 W HN 0.511 nan 8.180 nan 0.000 0.378 495 K N 3.874 124.352 120.400 0.131 0.000 2.144 495 K HA 0.111 4.431 4.320 -0.000 0.000 0.270 495 K C -1.362 175.399 176.600 0.268 0.000 1.005 495 K CA -0.632 55.641 56.287 -0.024 0.000 0.932 495 K CB 1.741 34.002 32.500 -0.399 0.000 1.021 495 K HN 0.314 nan 8.250 nan 0.000 0.462 496 Y N 1.342 121.674 120.300 0.053 0.000 2.447 496 Y HA 0.330 4.880 4.550 -0.000 0.000 0.325 496 Y C 0.091 175.947 175.900 -0.074 0.000 0.976 496 Y CA 0.455 58.580 58.100 0.041 0.000 1.280 496 Y CB 0.834 39.281 38.460 -0.022 0.000 1.104 496 Y HN 0.929 nan 8.280 nan 0.000 0.486 497 G N 2.788 111.500 108.800 -0.147 0.000 2.728 497 G HA2 0.226 4.186 3.960 -0.000 0.000 0.294 497 G HA3 0.226 4.186 3.960 -0.000 0.000 0.294 497 G C -0.094 174.692 174.900 -0.191 0.000 1.342 497 G CA -0.331 44.676 45.100 -0.155 0.000 0.866 497 G HN 1.543 nan 8.290 nan 0.000 0.534 498 G N -1.204 107.469 108.800 -0.212 0.000 4.775 498 G HA2 0.706 4.666 3.960 -0.000 0.000 0.222 498 G HA3 0.706 4.666 3.960 -0.000 0.000 0.222 498 G C -1.388 173.359 174.900 -0.256 0.000 0.974 498 G CA 0.779 45.717 45.100 -0.270 0.000 0.614 498 G HN 0.790 nan 8.290 nan 0.000 0.427 499 P HA 0.089 nan 4.420 nan 0.000 0.275 499 P C 0.782 177.972 177.300 -0.183 0.000 1.310 499 P CA 0.176 63.153 63.100 -0.204 0.000 0.904 499 P CB 0.256 31.868 31.700 -0.147 0.000 1.381 500 H N 0.180 119.063 119.070 -0.312 0.000 2.422 500 H HA -0.029 4.527 4.556 -0.000 0.000 0.298 500 H C 1.935 176.922 175.328 -0.568 0.000 1.098 500 H CA 0.545 56.282 56.048 -0.518 0.000 1.315 500 H CB -0.316 29.012 29.762 -0.722 0.000 1.382 500 H HN 0.084 nan 8.280 nan 0.000 0.523 501 L N -0.252 120.788 121.223 -0.305 0.000 2.191 501 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 501 L C 2.390 179.098 176.870 -0.269 0.000 1.103 501 L CA 1.121 55.761 54.840 -0.332 0.000 0.769 501 L CB -0.017 41.779 42.059 -0.438 0.000 0.908 501 L HN 0.345 nan 8.230 nan 0.000 0.438 502 G N -2.223 106.435 108.800 -0.237 0.000 3.192 502 G HA2 0.022 3.982 3.960 -0.000 0.000 0.239 502 G HA3 0.022 3.982 3.960 -0.000 0.000 0.239 502 G C 1.195 175.972 174.900 -0.204 0.000 1.084 502 G CA 0.718 45.683 45.100 -0.226 0.000 0.784 502 G HN 0.367 nan 8.290 nan 0.000 0.540 503 T N -3.566 110.860 114.554 -0.214 0.000 2.958 503 T HA 0.372 4.722 4.350 -0.000 0.000 0.256 503 T C 1.357 175.917 174.700 -0.233 0.000 0.983 503 T CA -0.219 61.758 62.100 -0.204 0.000 0.924 503 T CB 0.330 69.072 68.868 -0.209 0.000 1.136 503 T HN -0.094 nan 8.240 nan 0.000 0.506 504 M N 2.930 122.340 119.600 -0.317 0.000 2.312 504 M HA 0.477 4.957 4.480 -0.000 0.000 0.214 504 M C 0.580 176.790 176.300 -0.149 0.000 0.803 504 M CA -0.061 55.055 55.300 -0.306 0.000 1.831 504 M CB -0.099 32.141 32.600 -0.600 0.000 1.114 504 M HN 0.341 nan 8.290 nan 0.000 0.892 505 T N -2.254 112.269 114.554 -0.051 0.000 2.887 505 T HA 0.706 5.056 4.350 -0.000 0.000 0.288 505 T C 0.069 174.780 174.700 0.018 0.000 1.021 505 T CA -0.346 61.749 62.100 -0.009 0.000 1.000 505 T CB 1.493 70.368 68.868 0.012 0.000 1.034 505 T HN 0.890 nan 8.240 nan 0.000 0.467 506 A N 2.001 124.809 122.820 -0.021 0.000 2.409 506 A HA -0.181 4.139 4.320 -0.000 0.000 0.290 506 A C 1.557 179.138 177.584 -0.004 0.000 1.440 506 A CA 1.156 53.171 52.037 -0.037 0.000 0.775 506 A CB -2.540 16.433 19.000 -0.045 0.000 1.069 506 A HN 1.941 nan 8.150 nan 0.000 0.389 507 T N -1.854 112.701 114.554 0.002 0.000 3.052 507 T HA -0.164 4.186 4.350 -0.000 0.000 0.270 507 T C 1.390 176.103 174.700 0.021 0.000 1.147 507 T CA 1.292 63.432 62.100 0.067 0.000 1.089 507 T CB -0.405 68.398 68.868 -0.107 0.000 0.875 507 T HN 0.605 nan 8.240 nan 0.000 0.541 508 N N 2.207 120.887 118.700 -0.032 0.000 2.289 508 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 508 N C 2.134 177.625 175.510 -0.032 0.000 1.016 508 N CA 1.288 54.321 53.050 -0.027 0.000 0.872 508 N CB -0.315 38.164 38.487 -0.014 0.000 0.973 508 N HN 0.759 nan 8.380 nan 0.000 0.433 509 R N -0.516 119.943 120.500 -0.067 0.000 2.152 509 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 509 R C 1.309 177.447 176.300 -0.271 0.000 1.117 509 R CA 1.011 57.008 56.100 -0.173 0.000 0.981 509 R CB -0.795 29.352 30.300 -0.255 0.000 0.870 509 R HN 0.261 nan 8.270 nan 0.000 0.451 510 Y N 1.365 121.541 120.300 -0.206 0.000 2.314 510 Y HA 0.027 4.577 4.550 -0.000 0.000 0.293 510 Y C 2.796 178.522 175.900 -0.291 0.000 1.129 510 Y CA 1.258 59.209 58.100 -0.248 0.000 1.201 510 Y CB -0.093 38.249 38.460 -0.195 0.000 0.999 510 Y HN 0.236 nan 8.280 nan 0.000 0.541 511 A N 0.069 122.812 122.820 -0.128 0.000 1.970 511 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 511 A C 2.101 179.645 177.584 -0.067 0.000 1.170 511 A CA 1.198 53.100 52.037 -0.226 0.000 0.645 511 A CB -0.298 18.683 19.000 -0.032 0.000 0.816 511 A HN 0.345 nan 8.150 nan 0.000 0.447 512 K N -0.009 120.368 120.400 -0.038 0.000 2.097 512 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 512 K C 2.145 178.732 176.600 -0.023 0.000 1.050 512 K CA 1.644 57.937 56.287 0.009 0.000 0.938 512 K CB -0.459 32.036 32.500 -0.007 0.000 0.718 512 K HN 0.783 nan 8.250 nan 0.000 0.442 513 M N -0.907 118.593 119.600 -0.165 0.000 2.202 513 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 513 M C 1.447 177.659 176.300 -0.147 0.000 1.063 513 M CA 1.707 56.875 55.300 -0.221 0.000 1.097 513 M CB -0.838 31.513 32.600 -0.414 0.000 1.382 513 M HN -0.004 nan 8.290 nan 0.000 0.413 514 Y N 2.269 122.530 120.300 -0.065 0.000 2.333 514 Y HA -0.134 4.416 4.550 -0.000 0.000 0.290 514 Y C 2.623 178.587 175.900 0.107 0.000 1.144 514 Y CA 1.785 59.888 58.100 0.005 0.000 1.228 514 Y CB -0.452 37.949 38.460 -0.098 0.000 0.985 514 Y HN 0.530 nan 8.280 nan 0.000 0.542 515 T N -3.135 111.571 114.554 0.254 0.000 3.144 515 T HA -0.018 4.332 4.350 -0.000 0.000 0.249 515 T C 0.376 175.172 174.700 0.160 0.000 1.089 515 T CA -0.180 62.046 62.100 0.209 0.000 0.989 515 T CB -0.474 68.505 68.868 0.186 0.000 0.992 515 T HN 0.226 nan 8.240 nan 0.000 0.540 516 H N 3.123 122.236 119.070 0.072 0.000 2.803 516 H HA 0.044 4.600 4.556 -0.000 0.000 0.330 516 H C 0.744 176.115 175.328 0.072 0.000 1.057 516 H CA 0.449 56.526 56.048 0.048 0.000 1.458 516 H CB 0.995 30.760 29.762 0.004 0.000 1.470 516 H HN 0.361 nan 8.280 nan 0.000 0.560 517 D N 2.289 122.526 120.400 -0.272 0.000 2.378 517 D HA -0.162 4.478 4.640 -0.000 0.000 0.222 517 D C 1.382 177.704 176.300 0.038 0.000 0.980 517 D CA 0.852 54.803 54.000 -0.083 0.000 0.907 517 D CB -0.055 40.674 40.800 -0.119 0.000 0.899 517 D HN 0.442 nan 8.370 nan 0.000 0.527 518 S N -0.209 115.600 115.700 0.182 0.000 2.470 518 S HA 0.005 4.475 4.470 -0.000 0.000 0.225 518 S C 1.228 175.942 174.600 0.190 0.000 1.006 518 S CA -0.418 57.923 58.200 0.235 0.000 0.934 518 S CB -0.429 62.984 63.200 0.355 0.000 0.778 518 S HN 0.231 nan 8.310 nan 0.000 0.517 519 L N 2.536 123.889 121.223 0.216 0.000 2.385 519 L HA 0.258 4.598 4.340 -0.000 0.000 0.285 519 L C 1.015 178.024 176.870 0.231 0.000 1.125 519 L CA -0.165 54.795 54.840 0.201 0.000 0.890 519 L CB 0.572 42.752 42.059 0.201 0.000 1.251 519 L HN 0.387 nan 8.230 nan 0.000 0.445 520 E N 3.193 123.542 120.200 0.248 0.000 2.158 520 E HA -0.048 4.301 4.350 -0.000 0.000 0.191 520 E C -0.390 176.487 176.600 0.463 0.000 0.982 520 E CA 0.769 57.357 56.400 0.312 0.000 0.823 520 E CB 0.414 30.280 29.700 0.276 0.000 0.766 520 E HN 0.299 nan 8.360 nan 0.000 0.468 521 F N 0.228 120.287 119.950 0.182 0.000 2.604 521 F HA 0.318 4.845 4.527 -0.000 0.000 0.316 521 F C -1.651 174.197 175.800 0.079 0.000 1.136 521 F CA -1.238 56.821 58.000 0.099 0.000 0.989 521 F CB 1.584 40.669 39.000 0.142 0.000 1.258 521 F HN -0.414 nan 8.300 nan 0.000 0.451 522 V N 6.059 125.618 119.914 -0.592 0.000 2.531 522 V HA 0.670 4.790 4.120 -0.000 0.000 0.301 522 V C -1.020 174.567 176.094 -0.844 0.000 1.034 522 V CA -0.826 61.186 62.300 -0.481 0.000 0.865 522 V CB 1.709 33.460 31.823 -0.120 0.000 0.995 522 V HN 0.599 nan 8.190 nan 0.000 0.424 523 V N 3.220 122.717 119.914 -0.696 0.000 2.604 523 V HA 0.631 4.751 4.120 -0.000 0.000 0.305 523 V C -0.060 175.808 176.094 -0.376 0.000 1.043 523 V CA -0.394 61.516 62.300 -0.651 0.000 0.888 523 V CB 2.146 33.446 31.823 -0.871 0.000 0.995 523 V HN 0.840 nan 8.190 nan 0.000 0.429 524 S N 3.673 119.201 115.700 -0.287 0.000 2.596 524 S HA 0.440 4.910 4.470 -0.000 0.000 0.318 524 S C -0.665 173.873 174.600 -0.104 0.000 1.097 524 S CA -0.531 57.562 58.200 -0.178 0.000 1.080 524 S CB 1.145 64.207 63.200 -0.231 0.000 0.991 524 S HN 0.816 nan 8.310 nan 0.000 0.471 525 Q N 3.854 123.667 119.800 0.022 0.000 2.466 525 Q HA 0.571 4.910 4.340 -0.000 0.000 0.242 525 Q C -1.006 174.871 176.000 -0.205 0.000 1.046 525 Q CA -0.240 55.575 55.803 0.020 0.000 0.841 525 Q CB 0.495 29.413 28.738 0.301 0.000 1.193 525 Q HN 0.710 nan 8.270 nan 0.000 0.508 526 S N 2.607 118.180 115.700 -0.213 0.000 2.732 526 S HA 0.512 4.982 4.470 -0.000 0.000 0.293 526 S C 0.521 174.957 174.600 -0.273 0.000 1.159 526 S CA -0.730 57.310 58.200 -0.267 0.000 0.847 526 S CB 0.955 64.038 63.200 -0.195 0.000 1.169 526 S HN 0.648 nan 8.310 nan 0.000 0.501 527 I N -0.653 119.725 120.570 -0.320 0.000 2.947 527 I HA 0.199 4.369 4.170 -0.000 0.000 0.263 527 I C -0.140 175.611 176.117 -0.609 0.000 1.130 527 I CA 0.595 61.543 61.300 -0.585 0.000 1.448 527 I CB 0.288 37.669 38.000 -1.031 0.000 1.222 527 I HN 0.325 nan 8.210 nan 0.000 0.453 528 W N 0.124 121.359 121.300 -0.108 0.000 2.627 528 W HA 0.285 4.945 4.660 -0.000 0.000 0.339 528 W C -0.811 175.659 176.519 -0.082 0.000 1.058 528 W CA -0.977 56.324 57.345 -0.073 0.000 1.223 528 W CB 1.305 30.713 29.460 -0.086 0.000 1.389 528 W HN -0.201 nan 8.180 nan 0.000 0.541 529 F N 4.279 124.219 119.950 -0.016 0.000 2.462 529 F HA 0.150 4.677 4.527 -0.000 0.000 0.354 529 F C 0.341 176.023 175.800 -0.197 0.000 1.192 529 F CA 0.177 58.013 58.000 -0.274 0.000 1.173 529 F CB -0.215 38.435 39.000 -0.583 0.000 1.402 529 F HN 0.329 nan 8.300 nan 0.000 0.595 530 E N 2.364 122.351 120.200 -0.355 0.000 2.447 530 E HA 0.607 4.956 4.350 -0.000 0.000 0.279 530 E C 0.496 176.930 176.600 -0.276 0.000 1.053 530 E CA -0.800 55.434 56.400 -0.277 0.000 0.840 530 E CB 0.509 30.139 29.700 -0.117 0.000 1.409 530 E HN 0.581 nan 8.360 nan 0.000 0.461 531 G N 1.399 110.104 108.800 -0.158 0.000 2.692 531 G HA2 -0.457 3.503 3.960 -0.000 0.000 0.339 531 G HA3 -0.457 3.503 3.960 -0.000 0.000 0.339 531 G C 0.711 175.575 174.900 -0.059 0.000 1.226 531 G CA 1.042 46.092 45.100 -0.084 0.000 0.979 531 G HN 0.704 nan 8.290 nan 0.000 0.549 532 E N 0.346 120.481 120.200 -0.108 0.000 2.371 532 E HA 0.192 4.541 4.350 -0.000 0.000 0.194 532 E C 2.661 179.165 176.600 -0.160 0.000 1.012 532 E CA 0.534 56.903 56.400 -0.052 0.000 0.860 532 E CB 0.072 29.683 29.700 -0.148 0.000 0.811 532 E HN 0.327 nan 8.360 nan 0.000 0.502 533 V N 1.579 121.304 119.914 -0.316 0.000 2.380 533 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 533 V C -1.025 174.738 176.094 -0.553 0.000 1.063 533 V CA 1.667 63.702 62.300 -0.442 0.000 1.055 533 V CB -1.355 30.157 31.823 -0.517 0.000 0.657 533 V HN 0.204 nan 8.190 nan 0.000 0.455 534 P HA 0.009 nan 4.420 nan 0.000 0.252 534 P C 0.690 177.782 177.300 -0.347 0.000 1.265 534 P CA 0.997 63.750 63.100 -0.578 0.000 0.775 534 P CB -0.290 30.970 31.700 -0.733 0.000 1.128 535 F N -1.270 118.479 119.950 -0.336 0.000 2.706 535 F HA 0.334 4.861 4.527 -0.000 0.000 0.308 535 F C 1.479 177.098 175.800 -0.303 0.000 1.095 535 F CA -0.410 57.352 58.000 -0.397 0.000 1.244 535 F CB -0.190 38.206 39.000 -1.007 0.000 1.063 535 F HN -0.211 nan 8.300 nan 0.000 0.582 536 A N 0.315 123.085 122.820 -0.084 0.000 2.366 536 A HA 0.181 4.500 4.320 -0.000 0.000 0.249 536 A C 0.872 178.450 177.584 -0.011 0.000 1.084 536 A CA -0.204 51.759 52.037 -0.123 0.000 0.794 536 A CB 0.226 19.093 19.000 -0.222 0.000 1.034 536 A HN 0.186 nan 8.150 nan 0.000 0.491 537 D N -0.271 119.985 120.400 -0.239 0.000 2.216 537 D HA 0.100 4.740 4.640 -0.000 0.000 0.208 537 D C 0.202 176.433 176.300 -0.116 0.000 0.960 537 D CA 1.227 55.026 54.000 -0.335 0.000 0.861 537 D CB 0.178 40.385 40.800 -0.988 0.000 0.985 537 D HN 0.322 nan 8.370 nan 0.000 0.493 538 I N 1.282 121.736 120.570 -0.193 0.000 2.533 538 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 538 I C -0.495 175.520 176.117 -0.170 0.000 1.056 538 I CA -0.573 60.680 61.300 -0.079 0.000 1.057 538 I CB 2.359 40.363 38.000 0.006 0.000 1.240 538 I HN -0.240 nan 8.210 nan 0.000 0.423 539 I N 6.439 126.916 120.570 -0.156 0.000 2.406 539 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 539 I C -0.591 175.393 176.117 -0.222 0.000 0.999 539 I CA -0.587 60.585 61.300 -0.214 0.000 1.124 539 I CB 1.906 39.739 38.000 -0.279 0.000 1.289 539 I HN 0.231 nan 8.210 nan 0.000 0.441 540 L N 8.169 129.286 121.223 -0.176 0.000 2.287 540 L HA 0.467 4.807 4.340 -0.000 0.000 0.287 540 L C -2.482 174.341 176.870 -0.079 0.000 1.022 540 L CA -1.881 52.857 54.840 -0.170 0.000 0.814 540 L CB 1.360 43.475 42.059 0.095 0.000 1.217 540 L HN 0.252 nan 8.230 nan 0.000 0.420 541 P HA 0.224 nan 4.420 nan 0.000 0.281 541 P C -0.740 176.640 177.300 0.133 0.000 1.286 541 P CA -0.080 63.016 63.100 -0.007 0.000 0.772 541 P CB 1.224 32.909 31.700 -0.026 0.000 0.862 542 A N 3.238 126.032 122.820 -0.043 0.000 2.299 542 A HA 0.690 5.010 4.320 -0.000 0.000 0.332 542 A C 0.292 177.785 177.584 -0.152 0.000 1.131 542 A CA -0.455 51.538 52.037 -0.073 0.000 0.844 542 A CB 0.581 19.480 19.000 -0.169 0.000 1.251 542 A HN 0.699 nan 8.150 nan 0.000 0.486 543 C N -0.186 119.048 119.300 -0.110 0.000 2.407 543 C HA 0.902 5.362 4.460 -0.000 0.000 0.366 543 C C 0.973 175.892 174.990 -0.119 0.000 1.213 543 C CA 0.049 58.992 59.018 -0.125 0.000 2.011 543 C CB 0.486 28.201 27.740 -0.042 0.000 2.306 543 C HN 1.163 nan 8.230 nan 0.000 0.527 544 T N -0.250 114.259 114.554 -0.074 0.000 2.788 544 T HA 0.200 4.550 4.350 -0.000 0.000 0.280 544 T C 1.182 175.970 174.700 0.147 0.000 0.984 544 T CA 0.182 62.335 62.100 0.088 0.000 0.972 544 T CB 0.374 69.428 68.868 0.310 0.000 1.039 544 T HN 0.903 nan 8.240 nan 0.000 0.530 545 N N 0.036 118.854 118.700 0.196 0.000 2.520 545 N HA -0.089 4.651 4.740 -0.000 0.000 0.185 545 N C 1.062 176.534 175.510 -0.064 0.000 1.068 545 N CA 0.780 53.859 53.050 0.048 0.000 0.911 545 N CB -0.544 37.937 38.487 -0.011 0.000 0.961 545 N HN 0.607 nan 8.380 nan 0.000 0.446 546 F N 1.029 120.990 119.950 0.018 0.000 2.748 546 F HA 0.153 4.680 4.527 -0.000 0.000 0.299 546 F C 1.146 176.894 175.800 -0.086 0.000 1.154 546 F CA 0.359 58.341 58.000 -0.029 0.000 1.446 546 F CB 0.102 39.110 39.000 0.013 0.000 1.112 546 F HN 0.066 nan 8.300 nan 0.000 0.584 547 E N 0.390 120.630 120.200 0.066 0.000 2.569 547 E HA 0.190 4.539 4.350 -0.000 0.000 0.205 547 E C 0.137 176.690 176.600 -0.078 0.000 1.006 547 E CA -0.238 56.153 56.400 -0.014 0.000 0.985 547 E CB 0.396 30.106 29.700 0.016 0.000 1.060 547 E HN 0.335 nan 8.360 nan 0.000 0.460 548 R N -1.004 119.413 120.500 -0.139 0.000 2.733 548 R HA 0.405 4.745 4.340 -0.000 0.000 0.272 548 R C -1.671 174.518 176.300 -0.185 0.000 1.029 548 R CA -1.043 54.982 56.100 -0.125 0.000 0.888 548 R CB 0.512 30.840 30.300 0.048 0.000 1.251 548 R HN -0.098 nan 8.270 nan 0.000 0.464 549 W N 0.932 122.302 121.300 0.118 0.000 2.365 549 W HA 0.509 5.169 4.660 -0.000 0.000 0.316 549 W C 0.108 176.703 176.519 0.127 0.000 1.164 549 W CA 0.512 57.944 57.345 0.145 0.000 1.204 549 W CB 1.047 30.628 29.460 0.203 0.000 1.213 549 W HN 0.485 nan 8.180 nan 0.000 0.539 550 D N 1.239 121.860 120.400 0.370 0.000 2.768 550 D HA 0.511 5.151 4.640 -0.000 0.000 0.327 550 D C -1.758 174.711 176.300 0.282 0.000 1.302 550 D CA -0.720 53.424 54.000 0.240 0.000 0.897 550 D CB 2.003 42.876 40.800 0.123 0.000 1.420 550 D HN 0.371 nan 8.370 nan 0.000 0.494 551 I N 0.392 121.071 120.570 0.182 0.000 2.827 551 I HA 0.584 4.754 4.170 -0.000 0.000 0.298 551 I C -1.436 174.784 176.117 0.171 0.000 1.235 551 I CA -0.049 61.427 61.300 0.293 0.000 1.021 551 I CB 1.647 39.921 38.000 0.456 0.000 1.259 551 I HN 0.585 nan 8.210 nan 0.000 0.427 552 S N 4.147 120.021 115.700 0.291 0.000 2.655 552 S HA 0.511 4.981 4.470 -0.000 0.000 0.266 552 S C -1.417 173.383 174.600 0.334 0.000 1.149 552 S CA -0.861 57.497 58.200 0.264 0.000 0.818 552 S CB 1.755 64.960 63.200 0.008 0.000 1.130 552 S HN 0.835 nan 8.310 nan 0.000 0.476 553 E N 0.217 120.665 120.200 0.413 0.000 2.266 553 E HA 0.508 4.857 4.350 -0.000 0.000 0.268 553 E C -1.299 175.672 176.600 0.618 0.000 0.879 553 E CA -0.945 55.667 56.400 0.352 0.000 0.762 553 E CB 1.061 30.898 29.700 0.228 0.000 1.199 553 E HN 0.518 nan 8.360 nan 0.000 0.422 554 F N 3.999 124.144 119.950 0.326 0.000 2.473 554 F HA 0.024 4.551 4.527 -0.000 0.000 0.405 554 F C 1.025 177.034 175.800 0.348 0.000 0.988 554 F CA 1.280 59.449 58.000 0.280 0.000 1.096 554 F CB -0.818 38.302 39.000 0.199 0.000 0.944 554 F HN 0.791 nan 8.300 nan 0.000 0.530 555 A N 3.750 127.008 122.820 0.730 0.000 2.829 555 A HA -0.335 3.985 4.320 -0.000 0.000 0.267 555 A C 0.887 178.854 177.584 0.638 0.000 1.370 555 A CA 1.109 53.480 52.037 0.556 0.000 0.900 555 A CB -2.522 16.640 19.000 0.270 0.000 1.044 555 A HN 0.786 nan 8.150 nan 0.000 0.691 556 N N -0.267 118.838 118.700 0.675 0.000 2.415 556 N HA 0.277 5.016 4.740 -0.000 0.000 0.250 556 N C 0.902 176.530 175.510 0.196 0.000 1.127 556 N CA 0.375 53.696 53.050 0.451 0.000 0.945 556 N CB 0.336 39.094 38.487 0.452 0.000 1.196 556 N HN 0.628 nan 8.380 nan 0.000 0.499 557 C N 2.761 122.101 119.300 0.068 0.000 2.568 557 C HA 0.257 4.717 4.460 -0.000 0.000 0.284 557 C C 1.381 176.065 174.990 -0.510 0.000 1.338 557 C CA 1.187 59.917 59.018 -0.479 0.000 1.724 557 C CB -0.966 26.790 27.740 0.026 0.000 2.131 557 C HN 0.888 nan 8.230 nan 0.000 0.513 558 S N -1.338 114.213 115.700 -0.248 0.000 3.514 558 S HA 0.126 4.596 4.470 -0.000 0.000 0.634 558 S C 1.009 175.355 174.600 -0.423 0.000 2.489 558 S CA 1.964 59.973 58.200 -0.318 0.000 2.771 558 S CB -1.676 61.416 63.200 -0.180 0.000 0.328 558 S HN 2.633 nan 8.310 nan 0.000 1.714 559 G N 0.625 109.071 108.800 -0.591 0.000 2.620 559 G HA2 -0.376 3.583 3.960 -0.000 0.000 0.315 559 G HA3 -0.376 3.583 3.960 -0.000 0.000 0.315 559 G C 0.710 175.287 174.900 -0.537 0.000 1.179 559 G CA 1.179 45.971 45.100 -0.514 0.000 0.971 559 G HN 1.447 nan 8.290 nan 0.000 0.544 560 Y N 1.255 121.489 120.300 -0.110 0.000 2.632 560 Y HA 0.374 4.924 4.550 -0.000 0.000 0.301 560 Y C 1.423 177.259 175.900 -0.106 0.000 1.172 560 Y CA 0.551 58.598 58.100 -0.088 0.000 1.328 560 Y CB 0.099 38.527 38.460 -0.054 0.000 1.016 560 Y HN 0.244 nan 8.280 nan 0.000 0.529 561 I N 0.241 120.761 120.570 -0.083 0.000 2.917 561 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 561 I C -2.781 173.102 176.117 -0.391 0.000 1.510 561 I CA -1.949 59.249 61.300 -0.170 0.000 0.858 561 I CB 0.804 38.779 38.000 -0.041 0.000 1.862 561 I HN -0.248 nan 8.210 nan 0.000 0.615 562 P HA -0.032 nan 4.420 nan 0.000 0.261 562 P C -0.079 176.925 177.300 -0.493 0.000 1.173 562 P CA 0.699 63.294 63.100 -0.842 0.000 0.760 562 P CB 0.245 31.234 31.700 -1.185 0.000 0.783 563 D N 1.343 121.541 120.400 -0.336 0.000 2.811 563 D HA -0.213 4.427 4.640 -0.000 0.000 0.231 563 D C 0.629 176.395 176.300 -0.890 0.000 1.157 563 D CA 1.147 54.782 54.000 -0.609 0.000 0.716 563 D CB -1.790 38.756 40.800 -0.423 0.000 1.077 563 D HN 0.679 nan 8.370 nan 0.000 0.428 564 N N -0.379 118.032 118.700 -0.481 0.000 2.571 564 N HA -0.175 4.565 4.740 -0.000 0.000 0.189 564 N C 1.814 177.195 175.510 -0.216 0.000 1.154 564 N CA 0.438 53.281 53.050 -0.344 0.000 0.907 564 N CB -0.496 37.887 38.487 -0.174 0.000 0.977 564 N HN 0.549 nan 8.380 nan 0.000 0.449 565 Y N 0.266 120.605 120.300 0.064 0.000 2.569 565 Y HA -0.092 4.457 4.550 -0.000 0.000 0.293 565 Y C 1.970 177.909 175.900 0.064 0.000 1.144 565 Y CA 0.286 58.449 58.100 0.104 0.000 1.321 565 Y CB -0.744 37.831 38.460 0.192 0.000 0.982 565 Y HN 0.308 nan 8.280 nan 0.000 0.558 566 Q N 0.834 120.511 119.800 -0.205 0.000 2.557 566 Q HA 0.002 4.342 4.340 -0.000 0.000 0.217 566 Q C 1.269 177.251 176.000 -0.031 0.000 0.978 566 Q CA 0.761 56.557 55.803 -0.011 0.000 0.950 566 Q CB -0.393 28.291 28.738 -0.090 0.000 0.991 566 Q HN 0.637 nan 8.270 nan 0.000 0.533 567 L N 0.032 121.215 121.223 -0.068 0.000 2.341 567 L HA 0.078 4.418 4.340 -0.000 0.000 0.214 567 L C 0.637 177.444 176.870 -0.104 0.000 1.115 567 L CA -0.189 54.596 54.840 -0.092 0.000 0.820 567 L CB 0.279 42.272 42.059 -0.110 0.000 0.944 567 L HN 0.357 nan 8.230 nan 0.000 0.452 568 C N -0.321 118.905 119.300 -0.124 0.000 2.335 568 C HA 0.185 4.645 4.460 -0.000 0.000 0.363 568 C C 1.747 176.798 174.990 0.101 0.000 1.198 568 C CA -0.956 57.955 59.018 -0.179 0.000 2.279 568 C CB 0.855 28.283 27.740 -0.521 0.000 2.334 568 C HN 0.344 nan 8.230 nan 0.000 0.559 569 N N 0.200 119.037 118.700 0.227 0.000 2.459 569 N HA -0.005 4.735 4.740 -0.000 0.000 0.181 569 N C -0.245 175.440 175.510 0.292 0.000 1.046 569 N CA 1.044 54.335 53.050 0.403 0.000 0.904 569 N CB -0.111 38.629 38.487 0.421 0.000 0.964 569 N HN 0.739 nan 8.380 nan 0.000 0.444 570 H N -1.365 117.928 119.070 0.372 0.000 3.046 570 H HA 0.359 4.915 4.556 -0.000 0.000 0.363 570 H C -0.508 174.976 175.328 0.260 0.000 1.203 570 H CA -0.683 55.567 56.048 0.337 0.000 1.169 570 H CB 1.267 31.245 29.762 0.360 0.000 1.851 570 H HN -0.192 nan 8.280 nan 0.000 0.546 571 R N 1.582 122.246 120.500 0.272 0.000 2.248 571 R HA 0.445 4.785 4.340 -0.000 0.000 0.328 571 R C -0.918 175.462 176.300 0.133 0.000 1.067 571 R CA -0.521 55.685 56.100 0.177 0.000 0.924 571 R CB 0.737 31.046 30.300 0.015 0.000 1.013 571 R HN 0.199 nan 8.270 nan 0.000 0.454 572 V N 6.149 126.216 119.914 0.255 0.000 2.407 572 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 572 V C 0.025 176.231 176.094 0.187 0.000 1.018 572 V CA -0.654 61.774 62.300 0.214 0.000 0.842 572 V CB 1.690 33.704 31.823 0.318 0.000 0.996 572 V HN 0.643 nan 8.190 nan 0.000 0.426 573 I N 4.940 125.589 120.570 0.131 0.000 2.312 573 I HA 0.552 4.722 4.170 -0.000 0.000 0.290 573 I C 0.281 176.634 176.117 0.394 0.000 1.008 573 I CA 0.076 61.416 61.300 0.066 0.000 1.226 573 I CB 1.685 39.553 38.000 -0.219 0.000 1.371 573 I HN 0.731 nan 8.210 nan 0.000 0.468 574 S N 6.429 122.363 115.700 0.391 0.000 2.568 574 S HA 0.670 5.139 4.470 -0.000 0.000 0.293 574 S C -0.815 174.036 174.600 0.419 0.000 1.089 574 S CA -0.928 57.514 58.200 0.405 0.000 0.945 574 S CB 2.214 65.537 63.200 0.205 0.000 1.077 574 S HN 0.470 nan 8.310 nan 0.000 0.485 575 L N 1.691 122.999 121.223 0.142 0.000 2.349 575 L HA 0.402 4.742 4.340 -0.000 0.000 0.275 575 L C -0.141 176.786 176.870 0.096 0.000 1.115 575 L CA 0.260 55.175 54.840 0.124 0.000 0.820 575 L CB 0.671 42.561 42.059 -0.282 0.000 1.135 575 L HN 0.788 nan 8.230 nan 0.000 0.445 576 Q N 5.363 125.262 119.800 0.165 0.000 2.571 576 Q HA 0.460 4.800 4.340 -0.000 0.000 0.222 576 Q C -0.177 175.843 176.000 0.033 0.000 1.167 576 Q CA -0.535 55.290 55.803 0.037 0.000 0.966 576 Q CB 0.897 29.651 28.738 0.027 0.000 1.274 576 Q HN 0.862 nan 8.270 nan 0.000 0.552 577 A N 2.550 125.340 122.820 -0.051 0.000 2.462 577 A HA 0.042 4.362 4.320 -0.000 0.000 0.243 577 A C 0.248 177.515 177.584 -0.528 0.000 1.076 577 A CA -0.141 51.784 52.037 -0.187 0.000 0.773 577 A CB 0.268 19.189 19.000 -0.132 0.000 1.010 577 A HN 0.636 nan 8.150 nan 0.000 0.493 578 K N 2.877 122.507 120.400 -1.284 0.000 2.110 578 K HA 0.171 4.490 4.320 -0.000 0.000 0.260 578 K C 0.527 176.818 176.600 -0.516 0.000 1.126 578 K CA -0.367 55.326 56.287 -0.990 0.000 1.005 578 K CB -0.666 30.908 32.500 -1.545 0.000 1.336 578 K HN 0.724 nan 8.250 nan 0.000 0.369 579 C N 3.885 123.045 119.300 -0.233 0.000 2.429 579 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 579 C C 1.376 176.360 174.990 -0.010 0.000 1.262 579 C CA 0.176 59.158 59.018 -0.061 0.000 1.733 579 C CB -0.993 26.797 27.740 0.085 0.000 2.010 579 C HN 0.848 nan 8.230 nan 0.000 0.483 580 I N -3.052 117.520 120.570 0.004 0.000 3.174 580 I HA 0.575 4.745 4.170 -0.000 0.000 0.313 580 I C -0.779 175.353 176.117 0.024 0.000 1.155 580 I CA -0.743 60.586 61.300 0.047 0.000 0.977 580 I CB 1.012 39.082 38.000 0.116 0.000 1.248 580 I HN -0.181 nan 8.210 nan 0.000 0.453 581 E N 2.245 122.477 120.200 0.054 0.000 2.390 581 E HA 0.325 4.675 4.350 -0.000 0.000 0.261 581 E C -2.343 174.290 176.600 0.055 0.000 1.076 581 E CA -1.421 55.010 56.400 0.051 0.000 0.905 581 E CB 0.251 29.991 29.700 0.066 0.000 0.984 581 E HN 0.424 nan 8.360 nan 0.000 0.427 582 P HA -0.062 nan 4.420 nan 0.000 0.265 582 P C -0.526 176.810 177.300 0.060 0.000 1.187 582 P CA 0.171 63.296 63.100 0.041 0.000 0.766 582 P CB 0.444 32.169 31.700 0.041 0.000 0.820 583 V N 3.324 123.267 119.914 0.048 0.000 2.583 583 V HA 0.446 4.566 4.120 -0.000 0.000 0.287 583 V C 1.296 177.424 176.094 0.057 0.000 1.051 583 V CA 1.000 63.341 62.300 0.069 0.000 1.010 583 V CB 0.067 31.929 31.823 0.065 0.000 0.988 583 V HN 1.051 nan 8.190 nan 0.000 0.478 584 G N 4.392 113.235 108.800 0.072 0.000 2.566 584 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.280 584 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.280 584 G C 0.391 175.370 174.900 0.131 0.000 1.225 584 G CA 0.646 45.796 45.100 0.085 0.000 0.966 584 G HN 0.753 nan 8.290 nan 0.000 0.560 585 E N 0.778 121.086 120.200 0.180 0.000 2.496 585 E HA 0.402 4.752 4.350 -0.000 0.000 0.202 585 E C 1.057 177.910 176.600 0.421 0.000 1.021 585 E CA 0.452 57.028 56.400 0.294 0.000 1.015 585 E CB -0.045 29.850 29.700 0.324 0.000 1.102 585 E HN 0.686 nan 8.360 nan 0.000 0.452 586 S N 0.440 116.288 115.700 0.247 0.000 2.617 586 S HA 0.537 5.007 4.470 -0.000 0.000 0.269 586 S C 0.129 174.823 174.600 0.158 0.000 1.292 586 S CA -0.705 57.644 58.200 0.248 0.000 1.010 586 S CB 1.078 64.315 63.200 0.062 0.000 0.944 586 S HN 0.225 nan 8.310 nan 0.000 0.536 587 M N 0.171 119.828 119.600 0.094 0.000 2.622 587 M HA 0.529 5.009 4.480 -0.000 0.000 0.276 587 M C -0.416 175.866 176.300 -0.031 0.000 1.265 587 M CA -0.991 54.279 55.300 -0.050 0.000 0.850 587 M CB 1.754 34.188 32.600 -0.276 0.000 1.720 587 M HN 0.713 nan 8.290 nan 0.000 0.465 588 S N -0.352 115.352 115.700 0.006 0.000 2.568 588 S HA 0.050 4.520 4.470 -0.000 0.000 0.282 588 S C 0.329 174.957 174.600 0.046 0.000 1.338 588 S CA -0.035 58.205 58.200 0.066 0.000 1.045 588 S CB 0.434 63.729 63.200 0.159 0.000 0.873 588 S HN 0.756 nan 8.310 nan 0.000 0.516 589 D N 0.883 121.327 120.400 0.075 0.000 2.149 589 D HA -0.174 4.465 4.640 -0.000 0.000 0.198 589 D C 1.415 177.729 176.300 0.022 0.000 0.990 589 D CA 1.749 55.742 54.000 -0.010 0.000 0.839 589 D CB -0.263 40.659 40.800 0.203 0.000 0.948 589 D HN 0.838 nan 8.370 nan 0.000 0.460 590 Y N 1.995 122.396 120.300 0.170 0.000 2.128 590 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 590 Y C 2.274 178.330 175.900 0.260 0.000 1.154 590 Y CA 1.541 59.834 58.100 0.322 0.000 1.149 590 Y CB 0.113 38.751 38.460 0.297 0.000 0.976 590 Y HN -0.191 nan 8.280 nan 0.000 0.505 591 E N 0.427 120.733 120.200 0.176 0.000 2.153 591 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 591 E C 2.287 178.791 176.600 -0.161 0.000 0.988 591 E CA 1.333 57.742 56.400 0.016 0.000 0.811 591 E CB -0.272 29.438 29.700 0.017 0.000 0.746 591 E HN 0.637 nan 8.360 nan 0.000 0.466 592 I N -0.198 120.239 120.570 -0.223 0.000 2.202 592 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 592 I C 2.153 178.178 176.117 -0.154 0.000 1.091 592 I CA 1.191 62.322 61.300 -0.281 0.000 1.368 592 I CB -0.432 37.428 38.000 -0.234 0.000 1.058 592 I HN 0.117 nan 8.210 nan 0.000 0.410 593 Y N 0.360 120.542 120.300 -0.196 0.000 2.352 593 Y HA -0.211 4.339 4.550 -0.000 0.000 0.292 593 Y C 2.802 178.419 175.900 -0.473 0.000 1.136 593 Y CA 0.630 58.331 58.100 -0.665 0.000 1.227 593 Y CB -0.208 37.717 38.460 -0.893 0.000 0.991 593 Y HN 0.094 nan 8.280 nan 0.000 0.545 594 R N 0.333 120.802 120.500 -0.051 0.000 2.090 594 R HA -0.159 4.180 4.340 -0.000 0.000 0.228 594 R C 2.116 178.457 176.300 0.068 0.000 1.110 594 R CA 1.000 57.159 56.100 0.098 0.000 0.973 594 R CB -0.303 30.026 30.300 0.048 0.000 0.869 594 R HN 0.323 nan 8.270 nan 0.000 0.440 595 L N 0.104 121.304 121.223 -0.038 0.000 2.056 595 L HA -0.032 4.308 4.340 -0.000 0.000 0.207 595 L C 1.666 178.522 176.870 -0.023 0.000 1.078 595 L CA 1.696 56.484 54.840 -0.086 0.000 0.749 595 L CB -0.579 41.330 42.059 -0.250 0.000 0.901 595 L HN 0.124 nan 8.230 nan 0.000 0.433 596 F N -0.177 119.796 119.950 0.038 0.000 2.134 596 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 596 F C 2.503 178.439 175.800 0.226 0.000 1.097 596 F CA 1.277 59.372 58.000 0.158 0.000 1.264 596 F CB -0.625 38.481 39.000 0.176 0.000 1.001 596 F HN 0.223 nan 8.300 nan 0.000 0.479 597 A N -0.063 122.993 122.820 0.393 0.000 1.908 597 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 597 A C 2.182 179.908 177.584 0.237 0.000 1.181 597 A CA 2.021 54.248 52.037 0.317 0.000 0.627 597 A CB -0.773 18.387 19.000 0.267 0.000 0.818 597 A HN 0.366 nan 8.150 nan 0.000 0.445 598 K N -0.063 120.453 120.400 0.193 0.000 2.009 598 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 598 K C 1.836 178.518 176.600 0.137 0.000 1.049 598 K CA 1.795 58.169 56.287 0.144 0.000 0.929 598 K CB -0.206 32.356 32.500 0.103 0.000 0.714 598 K HN 0.418 nan 8.250 nan 0.000 0.440 599 K N 0.339 120.828 120.400 0.148 0.000 2.442 599 K HA -0.033 4.287 4.320 -0.000 0.000 0.198 599 K C 1.529 178.234 176.600 0.175 0.000 1.042 599 K CA 0.574 56.950 56.287 0.148 0.000 0.958 599 K CB 0.128 32.714 32.500 0.144 0.000 0.766 599 K HN 0.242 nan 8.250 nan 0.000 0.474 600 L N 0.200 121.546 121.223 0.205 0.000 2.607 600 L HA 0.090 4.430 4.340 -0.000 0.000 0.228 600 L C 0.174 177.117 176.870 0.123 0.000 1.123 600 L CA -0.246 54.698 54.840 0.174 0.000 0.890 600 L CB -0.192 41.989 42.059 0.204 0.000 1.103 600 L HN 0.229 nan 8.230 nan 0.000 0.468 601 N N 1.241 120.015 118.700 0.123 0.000 2.776 601 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 601 N C 0.267 175.837 175.510 0.100 0.000 1.111 601 N CA 1.060 54.170 53.050 0.101 0.000 0.711 601 N CB -1.112 37.424 38.487 0.081 0.000 1.065 601 N HN 0.612 nan 8.380 nan 0.000 0.556 602 I N -3.964 116.681 120.570 0.126 0.000 3.813 602 I HA 0.301 4.471 4.170 -0.000 0.000 0.323 602 I C 1.244 177.482 176.117 0.202 0.000 1.536 602 I CA -0.583 60.796 61.300 0.132 0.000 1.083 602 I CB 0.326 38.384 38.000 0.097 0.000 1.265 602 I HN 0.089 nan 8.210 nan 0.000 0.507 603 E N 2.098 122.421 120.200 0.204 0.000 2.085 603 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 603 E C 1.894 178.647 176.600 0.255 0.000 0.994 603 E CA 2.085 58.639 56.400 0.256 0.000 0.801 603 E CB 0.239 30.055 29.700 0.194 0.000 0.743 603 E HN 0.629 nan 8.360 nan 0.000 0.453 604 E N 0.365 120.674 120.200 0.182 0.000 2.031 604 E HA -0.213 4.136 4.350 -0.000 0.000 0.193 604 E C 1.880 178.589 176.600 0.182 0.000 0.994 604 E CA 1.885 58.377 56.400 0.153 0.000 0.800 604 E CB -0.202 29.560 29.700 0.104 0.000 0.752 604 E HN 0.242 nan 8.360 nan 0.000 0.447 605 M N -0.416 119.291 119.600 0.178 0.000 2.108 605 M HA 0.002 4.482 4.480 -0.000 0.000 0.261 605 M C 1.994 178.464 176.300 0.283 0.000 1.066 605 M CA 1.360 56.770 55.300 0.184 0.000 1.107 605 M CB -0.790 31.888 32.600 0.130 0.000 1.356 605 M HN 0.216 nan 8.290 nan 0.000 0.406 606 F N 0.628 120.692 119.950 0.189 0.000 2.074 606 F HA -0.144 4.383 4.527 -0.000 0.000 0.293 606 F C 2.638 178.680 175.800 0.405 0.000 1.116 606 F CA 1.773 59.921 58.000 0.247 0.000 1.212 606 F CB -0.739 38.396 39.000 0.225 0.000 0.998 606 F HN 0.256 nan 8.300 nan 0.000 0.471 607 S N -0.807 115.011 115.700 0.196 0.000 2.425 607 S HA -0.051 4.419 4.470 -0.000 0.000 0.225 607 S C 1.030 175.773 174.600 0.238 0.000 1.024 607 S CA 0.728 59.075 58.200 0.244 0.000 0.951 607 S CB -0.489 62.886 63.200 0.291 0.000 0.796 607 S HN 0.553 nan 8.310 nan 0.000 0.498 608 E N 0.323 120.632 120.200 0.182 0.000 2.722 608 E HA -0.187 4.163 4.350 -0.000 0.000 0.265 608 E C 0.659 177.238 176.600 -0.036 0.000 1.081 608 E CA 0.299 56.748 56.400 0.083 0.000 0.781 608 E CB -1.975 27.767 29.700 0.069 0.000 1.372 608 E HN 1.013 nan 8.360 nan 0.000 0.423 609 G N 0.248 109.061 108.800 0.022 0.000 2.179 609 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.257 609 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.257 609 G C -0.035 174.815 174.900 -0.083 0.000 1.010 609 G CA 1.049 46.145 45.100 -0.007 0.000 0.736 609 G HN 0.257 nan 8.290 nan 0.000 0.513 610 K N 0.765 121.072 120.400 -0.157 0.000 2.221 610 K HA 0.545 4.865 4.320 -0.000 0.000 0.258 610 K C -0.158 176.417 176.600 -0.042 0.000 0.944 610 K CA -0.605 55.492 56.287 -0.315 0.000 0.823 610 K CB 1.540 33.460 32.500 -0.966 0.000 1.113 610 K HN 0.306 nan 8.250 nan 0.000 0.431 611 D N 0.602 120.996 120.400 -0.011 0.000 2.478 611 D HA 0.049 4.688 4.640 -0.000 0.000 0.269 611 D C 0.564 176.876 176.300 0.020 0.000 1.232 611 D CA -0.483 53.612 54.000 0.157 0.000 1.059 611 D CB 0.527 41.405 40.800 0.131 0.000 1.104 611 D HN 0.488 nan 8.370 nan 0.000 0.566 612 E N -1.212 118.992 120.200 0.006 0.000 2.058 612 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 612 E C 1.816 178.459 176.600 0.071 0.000 0.997 612 E CA 0.768 57.153 56.400 -0.026 0.000 0.801 612 E CB -0.188 29.575 29.700 0.104 0.000 0.746 612 E HN 0.282 nan 8.360 nan 0.000 0.450 613 L N 0.542 121.789 121.223 0.040 0.000 2.079 613 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 613 L C 2.090 178.863 176.870 -0.162 0.000 1.081 613 L CA 1.889 56.690 54.840 -0.064 0.000 0.752 613 L CB -0.679 41.194 42.059 -0.310 0.000 0.896 613 L HN 0.102 nan 8.230 nan 0.000 0.433 614 A N -1.828 120.879 122.820 -0.188 0.000 1.898 614 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 614 A C 2.142 179.555 177.584 -0.284 0.000 1.181 614 A CA 1.475 53.332 52.037 -0.299 0.000 0.620 614 A CB -1.211 17.588 19.000 -0.335 0.000 0.819 614 A HN 0.590 nan 8.150 nan 0.000 0.442 615 W N -0.532 120.652 121.300 -0.194 0.000 2.363 615 W HA -0.206 4.454 4.660 -0.000 0.000 0.296 615 W C 2.578 179.027 176.519 -0.116 0.000 1.212 615 W CA 0.919 58.174 57.345 -0.151 0.000 1.260 615 W CB -0.467 28.883 29.460 -0.184 0.000 1.131 615 W HN 0.363 nan 8.180 nan 0.000 0.530 616 C N -0.729 118.615 119.300 0.073 0.000 2.429 616 C HA -0.209 4.251 4.460 -0.000 0.000 0.277 616 C C 2.526 177.333 174.990 -0.304 0.000 1.262 616 C CA 1.527 60.547 59.018 0.003 0.000 1.733 616 C CB -1.251 26.556 27.740 0.112 0.000 2.010 616 C HN 0.431 nan 8.230 nan 0.000 0.483 617 E N 0.352 120.074 120.200 -0.797 0.000 2.106 617 E HA -0.266 4.084 4.350 -0.000 0.000 0.192 617 E C 2.237 178.618 176.600 -0.365 0.000 0.984 617 E CA 1.102 56.805 56.400 -1.161 0.000 0.806 617 E CB -0.273 28.621 29.700 -1.343 0.000 0.750 617 E HN 0.703 nan 8.360 nan 0.000 0.458 618 Q N -0.623 119.052 119.800 -0.208 0.000 2.079 618 Q HA -0.223 4.117 4.340 -0.000 0.000 0.200 618 Q C 1.942 177.964 176.000 0.036 0.000 0.974 618 Q CA 1.482 57.229 55.803 -0.094 0.000 0.840 618 Q CB -0.230 28.447 28.738 -0.102 0.000 0.898 618 Q HN 0.463 nan 8.270 nan 0.000 0.430 619 Y N 0.009 120.332 120.300 0.037 0.000 2.145 619 Y HA -0.297 4.253 4.550 -0.000 0.000 0.286 619 Y C 1.935 177.929 175.900 0.156 0.000 1.145 619 Y CA 1.984 60.175 58.100 0.151 0.000 1.148 619 Y CB -0.429 38.143 38.460 0.187 0.000 0.981 619 Y HN 0.268 nan 8.280 nan 0.000 0.507 620 F N 1.426 121.553 119.950 0.294 0.000 2.120 620 F HA -0.313 4.214 4.527 -0.000 0.000 0.300 620 F C 1.916 177.796 175.800 0.134 0.000 1.095 620 F CA 2.147 60.316 58.000 0.281 0.000 1.249 620 F CB -0.495 38.719 39.000 0.357 0.000 0.995 620 F HN 0.092 nan 8.300 nan 0.000 0.480 621 N N 0.439 119.282 118.700 0.237 0.000 2.550 621 N HA -0.008 4.732 4.740 -0.000 0.000 0.186 621 N C 1.419 176.889 175.510 -0.066 0.000 1.110 621 N CA 0.925 54.025 53.050 0.083 0.000 0.912 621 N CB -0.278 38.260 38.487 0.085 0.000 0.968 621 N HN 0.390 nan 8.380 nan 0.000 0.448 622 A N 0.342 123.092 122.820 -0.116 0.000 2.307 622 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 622 A C 1.251 178.771 177.584 -0.106 0.000 1.228 622 A CA 0.095 52.013 52.037 -0.199 0.000 0.857 622 A CB -0.155 18.586 19.000 -0.432 0.000 0.897 622 A HN 0.323 nan 8.150 nan 0.000 0.495 623 T N -4.396 110.071 114.554 -0.144 0.000 2.819 623 T HA 0.433 4.782 4.350 -0.000 0.000 0.271 623 T C -0.017 174.607 174.700 -0.127 0.000 0.986 623 T CA -0.097 61.904 62.100 -0.165 0.000 0.989 623 T CB 0.880 69.548 68.868 -0.333 0.000 1.396 623 T HN -0.084 nan 8.240 nan 0.000 0.597 624 D N -0.279 120.021 120.400 -0.166 0.000 2.339 624 D HA 0.183 4.822 4.640 -0.000 0.000 0.217 624 D C 1.821 178.165 176.300 0.074 0.000 1.050 624 D CA 0.085 54.024 54.000 -0.102 0.000 0.856 624 D CB -0.067 40.562 40.800 -0.283 0.000 0.922 624 D HN 0.273 nan 8.370 nan 0.000 0.518 625 M N 0.439 120.021 119.600 -0.031 0.000 2.106 625 M HA -0.098 4.382 4.480 -0.000 0.000 0.259 625 M C -0.803 175.440 176.300 -0.095 0.000 1.068 625 M CA 1.423 56.659 55.300 -0.107 0.000 1.100 625 M CB -1.951 30.175 32.600 -0.791 0.000 1.351 625 M HN -0.041 nan 8.290 nan 0.000 0.404 626 P HA -0.180 nan 4.420 nan 0.000 0.220 626 P C 0.926 178.254 177.300 0.047 0.000 1.144 626 P CA 1.361 64.501 63.100 0.067 0.000 0.800 626 P CB -0.212 31.520 31.700 0.052 0.000 0.772 627 K N -2.621 117.776 120.400 -0.004 0.000 2.439 627 K HA -0.074 4.246 4.320 -0.000 0.000 0.197 627 K C 1.304 177.771 176.600 -0.222 0.000 1.041 627 K CA 1.043 57.264 56.287 -0.110 0.000 0.970 627 K CB -0.204 32.206 32.500 -0.149 0.000 0.773 627 K HN 0.332 nan 8.250 nan 0.000 0.479 628 Y N -0.217 120.082 120.300 -0.002 0.000 2.607 628 Y HA 0.243 4.793 4.550 -0.000 0.000 0.276 628 Y C 0.869 176.718 175.900 -0.085 0.000 1.117 628 Y CA -0.480 57.574 58.100 -0.077 0.000 1.273 628 Y CB 0.805 39.086 38.460 -0.298 0.000 1.282 628 Y HN -0.066 nan 8.280 nan 0.000 0.514 629 M N -0.873 118.795 119.600 0.114 0.000 2.643 629 M HA 0.413 4.893 4.480 -0.000 0.000 0.276 629 M C -0.858 175.619 176.300 0.294 0.000 1.200 629 M CA -0.901 54.487 55.300 0.147 0.000 0.863 629 M CB 1.737 34.388 32.600 0.085 0.000 1.711 629 M HN -0.030 nan 8.290 nan 0.000 0.492 630 T N -1.569 113.120 114.554 0.225 0.000 2.828 630 T HA 0.123 4.473 4.350 -0.000 0.000 0.290 630 T C 0.835 175.631 174.700 0.161 0.000 1.019 630 T CA -0.378 61.876 62.100 0.256 0.000 1.031 630 T CB 1.130 70.087 68.868 0.148 0.000 1.001 630 T HN 0.938 nan 8.240 nan 0.000 0.531 631 W N 1.533 122.745 121.300 -0.148 0.000 2.335 631 W HA -0.211 4.449 4.660 -0.000 0.000 0.311 631 W C 1.039 177.442 176.519 -0.193 0.000 1.213 631 W CA 1.907 58.920 57.345 -0.552 0.000 1.274 631 W CB -0.509 28.730 29.460 -0.369 0.000 1.148 631 W HN 0.714 nan 8.180 nan 0.000 0.498 632 D N 0.405 120.663 120.400 -0.235 0.000 2.123 632 D HA -0.221 4.419 4.640 -0.000 0.000 0.196 632 D C 1.962 178.145 176.300 -0.195 0.000 0.992 632 D CA 2.056 55.890 54.000 -0.277 0.000 0.833 632 D CB -0.691 40.057 40.800 -0.087 0.000 0.954 632 D HN 0.435 nan 8.370 nan 0.000 0.455 633 E N -0.451 119.691 120.200 -0.095 0.000 2.077 633 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 633 E C 1.949 178.506 176.600 -0.071 0.000 0.989 633 E CA 0.476 56.847 56.400 -0.048 0.000 0.800 633 E CB -0.214 29.499 29.700 0.021 0.000 0.746 633 E HN 0.252 nan 8.360 nan 0.000 0.452 634 F N 0.865 120.670 119.950 -0.242 0.000 2.146 634 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 634 F C 1.979 177.577 175.800 -0.336 0.000 1.096 634 F CA 1.001 58.861 58.000 -0.234 0.000 1.275 634 F CB -0.323 38.545 39.000 -0.220 0.000 1.008 634 F HN -0.057 nan 8.300 nan 0.000 0.480 635 F N 1.377 120.822 119.950 -0.842 0.000 2.095 635 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 635 F C 2.524 178.004 175.800 -0.533 0.000 1.104 635 F CA 2.336 59.794 58.000 -0.903 0.000 1.232 635 F CB -0.613 37.742 39.000 -1.075 0.000 0.987 635 F HN -0.031 nan 8.300 nan 0.000 0.475 636 K N 0.376 120.610 120.400 -0.275 0.000 2.026 636 K HA -0.233 4.086 4.320 -0.000 0.000 0.208 636 K C 2.356 178.797 176.600 -0.265 0.000 1.048 636 K CA 1.662 57.824 56.287 -0.208 0.000 0.929 636 K CB -0.252 32.192 32.500 -0.092 0.000 0.713 636 K HN 0.221 nan 8.250 nan 0.000 0.439 637 K N -1.219 119.014 120.400 -0.279 0.000 2.057 637 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 637 K C 1.207 177.639 176.600 -0.279 0.000 1.050 637 K CA 1.556 57.691 56.287 -0.254 0.000 0.935 637 K CB 0.034 32.396 32.500 -0.231 0.000 0.715 637 K HN 0.454 nan 8.250 nan 0.000 0.439 638 G N -0.427 108.080 108.800 -0.488 0.000 2.299 638 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.237 638 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.237 638 G C -0.036 174.746 174.900 -0.196 0.000 1.027 638 G CA 0.701 45.569 45.100 -0.387 0.000 0.619 638 G HN 0.522 nan 8.290 nan 0.000 0.513 639 Y N -2.044 118.163 120.300 -0.155 0.000 2.581 639 Y HA 0.766 5.316 4.550 -0.000 0.000 0.337 639 Y C -1.491 174.572 175.900 0.272 0.000 1.108 639 Y CA -2.392 55.762 58.100 0.089 0.000 1.033 639 Y CB 1.004 39.502 38.460 0.064 0.000 1.318 639 Y HN 0.679 nan 8.280 nan 0.000 0.459 640 F N 2.914 122.965 119.950 0.169 0.000 2.557 640 F HA 0.722 5.248 4.527 -0.000 0.000 0.316 640 F C -1.867 173.899 175.800 -0.056 0.000 1.141 640 F CA -1.289 56.697 58.000 -0.024 0.000 0.922 640 F CB 1.921 40.976 39.000 0.092 0.000 1.194 640 F HN 0.521 nan 8.300 nan 0.000 0.443 641 V N 6.823 126.194 119.914 -0.905 0.000 2.364 641 V HA 0.274 4.394 4.120 -0.000 0.000 0.272 641 V C -0.176 175.135 176.094 -1.305 0.000 1.036 641 V CA -0.802 60.988 62.300 -0.850 0.000 0.880 641 V CB 1.064 32.391 31.823 -0.826 0.000 0.991 641 V HN 0.607 nan 8.190 nan 0.000 0.460 642 V N 8.632 127.986 119.914 -0.934 0.000 2.599 642 V HA 0.100 4.220 4.120 -0.000 0.000 0.300 642 V C -1.763 173.984 176.094 -0.577 0.000 1.034 642 V CA -0.907 60.851 62.300 -0.903 0.000 1.115 642 V CB 0.550 31.981 31.823 -0.653 0.000 0.934 642 V HN 0.759 nan 8.190 nan 0.000 0.485 643 P HA 0.112 nan 4.420 nan 0.000 0.270 643 P C -0.617 176.635 177.300 -0.080 0.000 1.223 643 P CA -0.323 62.642 63.100 -0.225 0.000 0.785 643 P CB 0.399 32.036 31.700 -0.104 0.000 0.923 644 D N 0.717 121.118 120.400 0.001 0.000 2.345 644 D HA 0.069 4.709 4.640 -0.000 0.000 0.247 644 D C -0.313 176.026 176.300 0.066 0.000 1.108 644 D CA 0.058 54.096 54.000 0.064 0.000 0.894 644 D CB -0.008 40.855 40.800 0.106 0.000 1.203 644 D HN 0.102 nan 8.370 nan 0.000 0.430 645 N N 3.199 121.936 118.700 0.062 0.000 2.976 645 N HA 0.303 5.043 4.740 -0.000 0.000 0.255 645 N C -2.224 173.312 175.510 0.043 0.000 1.312 645 N CA -1.702 51.386 53.050 0.064 0.000 0.897 645 N CB 1.192 39.725 38.487 0.076 0.000 1.184 645 N HN 0.187 nan 8.380 nan 0.000 0.497 646 P HA 0.099 nan 4.420 nan 0.000 0.256 646 P C -0.347 176.977 177.300 0.041 0.000 1.335 646 P CA 0.535 63.666 63.100 0.051 0.000 0.808 646 P CB 0.335 32.075 31.700 0.067 0.000 1.305 647 N N -0.054 118.669 118.700 0.039 0.000 2.445 647 N HA 0.028 4.767 4.740 -0.000 0.000 0.204 647 N C 0.844 176.374 175.510 0.034 0.000 1.098 647 N CA -0.096 52.976 53.050 0.037 0.000 0.859 647 N CB 0.007 38.519 38.487 0.041 0.000 1.249 647 N HN 0.266 nan 8.380 nan 0.000 0.462 648 R N 3.158 123.680 120.500 0.036 0.000 2.644 648 R HA -0.039 4.301 4.340 -0.000 0.000 0.265 648 R C 0.222 176.543 176.300 0.035 0.000 0.985 648 R CA 0.071 56.195 56.100 0.040 0.000 1.097 648 R CB 0.036 30.364 30.300 0.046 0.000 0.931 648 R HN 0.074 nan 8.270 nan 0.000 0.419 649 K N 2.374 122.798 120.400 0.041 0.000 2.401 649 K HA 0.089 4.409 4.320 -0.000 0.000 0.278 649 K C -0.709 175.924 176.600 0.056 0.000 1.018 649 K CA -0.525 55.787 56.287 0.043 0.000 0.981 649 K CB 0.804 33.327 32.500 0.039 0.000 0.933 649 K HN 0.359 nan 8.250 nan 0.000 0.477 650 K N 2.975 123.409 120.400 0.056 0.000 2.276 650 K HA 0.098 4.418 4.320 -0.000 0.000 0.283 650 K C -0.336 176.323 176.600 0.098 0.000 1.044 650 K CA -0.306 56.026 56.287 0.074 0.000 0.944 650 K CB 1.146 33.678 32.500 0.054 0.000 1.012 650 K HN 0.870 nan 8.250 nan 0.000 0.472 651 T N -1.471 113.164 114.554 0.136 0.000 3.009 651 T HA 0.259 4.608 4.350 -0.000 0.000 0.346 651 T C 0.081 174.900 174.700 0.198 0.000 1.092 651 T CA -0.847 61.342 62.100 0.149 0.000 1.080 651 T CB 0.344 69.277 68.868 0.108 0.000 1.037 651 T HN 0.104 nan 8.240 nan 0.000 0.487 652 V N 3.023 123.039 119.914 0.172 0.000 2.763 652 V HA 0.431 4.551 4.120 -0.000 0.000 0.306 652 V C 1.412 177.636 176.094 0.216 0.000 1.059 652 V CA -0.365 62.029 62.300 0.158 0.000 1.138 652 V CB 0.126 32.009 31.823 0.100 0.000 0.940 652 V HN 1.145 nan 8.190 nan 0.000 0.489 653 A N 5.402 128.348 122.820 0.210 0.000 2.566 653 A HA 0.294 4.614 4.320 -0.000 0.000 0.245 653 A C 1.085 178.770 177.584 0.169 0.000 1.056 653 A CA 0.257 52.443 52.037 0.248 0.000 0.757 653 A CB -0.681 18.406 19.000 0.145 0.000 0.979 653 A HN 1.281 nan 8.150 nan 0.000 0.508 654 L N -0.236 121.077 121.223 0.149 0.000 4.813 654 L HA -0.316 4.024 4.340 -0.000 0.000 0.434 654 L C 2.027 178.747 176.870 -0.250 0.000 1.106 654 L CA 1.306 56.011 54.840 -0.224 0.000 0.991 654 L CB -1.296 40.755 42.059 -0.014 0.000 2.005 654 L HN 0.959 nan 8.230 nan 0.000 0.817 655 R N 1.128 121.607 120.500 -0.035 0.000 2.092 655 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 655 R C 2.248 178.557 176.300 0.016 0.000 1.119 655 R CA 2.080 58.197 56.100 0.028 0.000 0.970 655 R CB -0.214 30.149 30.300 0.106 0.000 0.864 655 R HN 0.742 nan 8.270 nan 0.000 0.440 656 W N -0.311 121.067 121.300 0.130 0.000 2.342 656 W HA -0.220 4.440 4.660 -0.000 0.000 0.297 656 W C 1.523 178.118 176.519 0.127 0.000 1.213 656 W CA 0.305 57.710 57.345 0.100 0.000 1.251 656 W CB -1.298 28.213 29.460 0.086 0.000 1.136 656 W HN 0.050 nan 8.180 nan 0.000 0.526 657 F N 2.784 122.214 119.950 -0.866 0.000 2.163 657 F HA 0.109 4.636 4.527 -0.000 0.000 0.297 657 F C 2.616 178.208 175.800 -0.346 0.000 1.094 657 F CA 2.318 59.869 58.000 -0.747 0.000 1.290 657 F CB -0.844 37.471 39.000 -1.141 0.000 1.017 657 F HN -0.098 nan 8.300 nan 0.000 0.483 658 A N -0.183 122.476 122.820 -0.269 0.000 1.972 658 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 658 A C 1.872 179.336 177.584 -0.200 0.000 1.169 658 A CA 1.708 53.649 52.037 -0.161 0.000 0.635 658 A CB -0.686 18.395 19.000 0.135 0.000 0.810 658 A HN 0.568 nan 8.150 nan 0.000 0.446 659 E N -1.077 119.048 120.200 -0.126 0.000 2.465 659 E HA 0.305 4.655 4.350 -0.000 0.000 0.195 659 E C 0.760 177.310 176.600 -0.083 0.000 1.028 659 E CA 0.067 56.422 56.400 -0.075 0.000 0.899 659 E CB -0.028 29.673 29.700 0.002 0.000 1.032 659 E HN 0.626 nan 8.360 nan 0.000 0.468 660 G N 3.173 111.876 108.800 -0.161 0.000 2.356 660 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.296 660 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.296 660 G C 0.185 175.101 174.900 0.027 0.000 1.022 660 G CA 1.158 46.194 45.100 -0.107 0.000 0.961 660 G HN 0.366 nan 8.290 nan 0.000 0.510 661 R N -1.699 118.875 120.500 0.125 0.000 3.029 661 R HA 0.741 5.081 4.340 -0.000 0.000 0.239 661 R C -0.451 175.991 176.300 0.236 0.000 1.351 661 R CA -1.124 55.062 56.100 0.143 0.000 1.052 661 R CB 0.957 31.324 30.300 0.111 0.000 1.354 661 R HN 0.061 nan 8.270 nan 0.000 0.499 662 E N 1.894 122.167 120.200 0.121 0.000 2.414 662 E HA -0.014 4.336 4.350 -0.000 0.000 0.263 662 E C -0.515 176.039 176.600 -0.076 0.000 1.000 662 E CA -0.034 56.382 56.400 0.028 0.000 0.914 662 E CB 0.538 30.211 29.700 -0.044 0.000 0.948 662 E HN 0.241 nan 8.360 nan 0.000 0.444 663 K N 3.427 123.550 120.400 -0.462 0.000 2.491 663 K HA -0.108 4.212 4.320 -0.000 0.000 0.279 663 K C -0.407 175.785 176.600 -0.681 0.000 1.026 663 K CA 0.408 55.897 56.287 -1.330 0.000 1.070 663 K CB 0.317 31.907 32.500 -1.518 0.000 0.887 663 K HN 0.613 nan 8.250 nan 0.000 0.481 664 D N 1.670 121.739 120.400 -0.552 0.000 2.540 664 D HA -0.011 4.629 4.640 -0.000 0.000 0.229 664 D C 0.275 176.461 176.300 -0.191 0.000 1.250 664 D CA -0.312 53.548 54.000 -0.233 0.000 0.817 664 D CB 0.024 40.794 40.800 -0.051 0.000 1.060 664 D HN 0.480 nan 8.370 nan 0.000 0.508 665 T N -2.622 111.767 114.554 -0.275 0.000 2.862 665 T HA 0.483 4.833 4.350 -0.000 0.000 0.276 665 T C -2.065 172.408 174.700 -0.377 0.000 0.974 665 T CA -1.539 60.387 62.100 -0.289 0.000 0.966 665 T CB 1.709 70.453 68.868 -0.208 0.000 1.072 665 T HN -0.343 nan 8.240 nan 0.000 0.538 666 P HA 0.197 nan 4.420 nan 0.000 0.249 666 P C -0.093 177.155 177.300 -0.086 0.000 1.241 666 P CA -0.032 62.867 63.100 -0.336 0.000 0.781 666 P CB -0.128 31.375 31.700 -0.328 0.000 1.088 667 D N -1.153 119.189 120.400 -0.095 0.000 2.419 667 D HA -0.100 4.540 4.640 -0.000 0.000 0.236 667 D C 0.287 176.705 176.300 0.196 0.000 1.165 667 D CA 0.121 54.283 54.000 0.271 0.000 0.882 667 D CB 0.372 41.395 40.800 0.373 0.000 1.201 667 D HN 0.017 nan 8.370 nan 0.000 0.443 668 W N 1.842 123.011 121.300 -0.219 0.000 3.292 668 W HA 0.331 4.991 4.660 -0.000 0.000 0.263 668 W C 0.902 176.886 176.519 -0.892 0.000 1.318 668 W CA -0.094 56.983 57.345 -0.447 0.000 1.663 668 W CB -0.375 28.752 29.460 -0.556 0.000 1.114 668 W HN 0.361 nan 8.180 nan 0.000 0.706 669 G N -0.680 107.384 108.800 -1.226 0.000 2.649 669 G HA2 0.515 4.475 3.960 -0.000 0.000 0.290 669 G HA3 0.515 4.475 3.960 -0.000 0.000 0.290 669 G C -3.042 171.086 174.900 -1.286 0.000 1.426 669 G CA -1.193 42.686 45.100 -2.034 0.000 0.794 669 G HN -0.429 nan 8.290 nan 0.000 0.483 670 P HA 0.309 nan 4.420 nan 0.000 0.276 670 P C -0.460 176.516 177.300 -0.540 0.000 1.252 670 P CA -0.457 62.103 63.100 -0.900 0.000 0.802 670 P CB 1.303 32.849 31.700 -0.256 0.000 1.035 671 R N 0.714 121.003 120.500 -0.351 0.000 2.590 671 R HA 0.150 4.490 4.340 -0.000 0.000 0.274 671 R C 1.799 177.998 176.300 -0.168 0.000 1.061 671 R CA -0.382 55.588 56.100 -0.216 0.000 1.081 671 R CB 0.040 30.271 30.300 -0.116 0.000 0.984 671 R HN 0.480 nan 8.270 nan 0.000 0.448 672 L N 2.272 123.403 121.223 -0.153 0.000 2.089 672 L HA -0.315 4.025 4.340 -0.000 0.000 0.213 672 L C 1.830 178.649 176.870 -0.086 0.000 1.079 672 L CA 2.199 56.964 54.840 -0.124 0.000 0.758 672 L CB -0.711 41.277 42.059 -0.118 0.000 0.891 672 L HN 0.763 nan 8.230 nan 0.000 0.433 673 N N -0.758 117.900 118.700 -0.070 0.000 2.453 673 N HA -0.186 4.554 4.740 -0.000 0.000 0.183 673 N C 1.056 176.546 175.510 -0.034 0.000 1.041 673 N CA 1.085 54.108 53.050 -0.045 0.000 0.900 673 N CB -0.415 38.052 38.487 -0.032 0.000 0.961 673 N HN 0.383 nan 8.380 nan 0.000 0.443 674 N N -0.582 118.093 118.700 -0.042 0.000 2.313 674 N HA 0.118 4.857 4.740 -0.000 0.000 0.207 674 N C -0.725 174.773 175.510 -0.019 0.000 1.141 674 N CA -0.058 52.977 53.050 -0.024 0.000 0.830 674 N CB 0.300 38.777 38.487 -0.016 0.000 1.008 674 N HN 0.341 nan 8.380 nan 0.000 0.481 675 Q N -0.294 119.489 119.800 -0.028 0.000 2.501 675 Q HA 0.450 4.790 4.340 -0.000 0.000 0.288 675 Q C -1.363 174.631 176.000 -0.009 0.000 1.051 675 Q CA -0.835 54.961 55.803 -0.012 0.000 0.788 675 Q CB 2.948 31.665 28.738 -0.035 0.000 1.469 675 Q HN -0.093 nan 8.270 nan 0.000 0.416 676 V N 1.172 121.092 119.914 0.009 0.000 2.334 676 V HA 0.127 4.247 4.120 -0.000 0.000 0.281 676 V C -0.126 175.970 176.094 0.003 0.000 1.016 676 V CA -0.370 61.932 62.300 0.005 0.000 0.832 676 V CB 0.981 32.813 31.823 0.015 0.000 0.999 676 V HN 1.071 nan 8.190 nan 0.000 0.439 677 C N 5.572 124.864 119.300 -0.014 0.000 4.350 677 C HA -0.146 4.314 4.460 -0.000 0.000 0.302 677 C C 1.434 176.409 174.990 -0.025 0.000 1.390 677 C CA 0.795 59.800 59.018 -0.020 0.000 2.016 677 C CB -2.342 25.393 27.740 -0.008 0.000 1.271 677 C HN 1.194 nan 8.230 nan 0.000 0.760 678 R N -1.726 118.747 120.500 -0.044 0.000 3.387 678 R HA -0.245 4.095 4.340 -0.000 0.000 0.254 678 R C -0.521 175.757 176.300 -0.036 0.000 1.006 678 R CA 1.735 57.788 56.100 -0.077 0.000 0.677 678 R CB -1.776 28.446 30.300 -0.130 0.000 1.063 678 R HN 0.784 nan 8.270 nan 0.000 0.453 679 K N 0.240 120.671 120.400 0.052 0.000 2.375 679 K HA 0.698 5.018 4.320 -0.000 0.000 0.249 679 K C 0.325 177.078 176.600 0.256 0.000 0.942 679 K CA -0.323 56.071 56.287 0.179 0.000 0.806 679 K CB 2.217 34.796 32.500 0.132 0.000 1.227 679 K HN 0.420 nan 8.250 nan 0.000 0.430 680 G N 0.978 110.067 108.800 0.483 0.000 2.746 680 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.685 680 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.685 680 G C -0.637 174.481 174.900 0.362 0.000 1.350 680 G CA -0.986 44.386 45.100 0.454 0.000 0.837 680 G HN 0.398 nan 8.290 nan 0.000 0.564 681 L N 0.152 121.453 121.223 0.130 0.000 2.479 681 L HA 0.343 4.683 4.340 -0.000 0.000 0.248 681 L C 2.248 179.122 176.870 0.007 0.000 1.205 681 L CA 0.151 54.954 54.840 -0.062 0.000 0.817 681 L CB 0.657 42.554 42.059 -0.270 0.000 1.162 681 L HN 0.892 nan 8.230 nan 0.000 0.486 682 Q N 0.224 120.011 119.800 -0.021 0.000 2.364 682 Q HA -0.074 4.266 4.340 -0.000 0.000 0.207 682 Q C 0.523 176.529 176.000 0.011 0.000 0.970 682 Q CA 0.728 56.548 55.803 0.028 0.000 0.888 682 Q CB 0.023 28.832 28.738 0.118 0.000 0.951 682 Q HN 0.829 nan 8.270 nan 0.000 0.469 683 T N -2.419 112.137 114.554 0.005 0.000 2.855 683 T HA 0.022 4.372 4.350 -0.000 0.000 0.314 683 T C 1.059 175.765 174.700 0.011 0.000 1.077 683 T CA 0.172 62.282 62.100 0.016 0.000 1.095 683 T CB 1.052 69.942 68.868 0.036 0.000 0.987 683 T HN 0.052 nan 8.240 nan 0.000 0.546 684 T N 1.749 116.303 114.554 0.000 0.000 2.624 684 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 684 T C 2.252 176.938 174.700 -0.023 0.000 1.041 684 T CA 2.444 64.537 62.100 -0.012 0.000 1.159 684 T CB -1.035 67.820 68.868 -0.021 0.000 0.863 684 T HN 1.008 nan 8.240 nan 0.000 0.434 685 T N -1.289 113.230 114.554 -0.060 0.000 3.085 685 T HA 0.290 4.640 4.350 -0.000 0.000 0.263 685 T C 1.811 176.532 174.700 0.035 0.000 1.127 685 T CA 1.110 63.179 62.100 -0.052 0.000 1.103 685 T CB -0.333 68.440 68.868 -0.159 0.000 0.921 685 T HN 0.629 nan 8.240 nan 0.000 0.510 686 G N 1.118 109.953 108.800 0.058 0.000 2.179 686 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 686 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 686 G C -0.021 175.007 174.900 0.212 0.000 0.977 686 G CA 0.478 45.650 45.100 0.119 0.000 0.641 686 G HN 0.718 nan 8.290 nan 0.000 0.533 687 K N -0.760 119.754 120.400 0.190 0.000 2.313 687 K HA 0.703 5.022 4.320 -0.000 0.000 0.235 687 K C 0.054 176.809 176.600 0.258 0.000 1.035 687 K CA -1.045 55.424 56.287 0.302 0.000 0.868 687 K CB 2.194 34.855 32.500 0.267 0.000 1.232 687 K HN -0.001 nan 8.250 nan 0.000 0.459 688 V N 2.342 122.459 119.914 0.338 0.000 2.470 688 V HA 0.016 4.135 4.120 -0.000 0.000 0.276 688 V C -0.223 176.033 176.094 0.270 0.000 1.040 688 V CA 0.174 62.617 62.300 0.238 0.000 1.008 688 V CB 0.279 32.254 31.823 0.252 0.000 0.990 688 V HN 0.609 nan 8.190 nan 0.000 0.477 689 E N 4.773 125.069 120.200 0.161 0.000 2.028 689 E HA 0.250 4.600 4.350 -0.000 0.000 0.266 689 E C -0.121 176.557 176.600 0.130 0.000 0.962 689 E CA -0.307 56.252 56.400 0.266 0.000 0.784 689 E CB 0.645 30.486 29.700 0.236 0.000 1.114 689 E HN 0.603 nan 8.360 nan 0.000 0.414 690 F N 1.390 121.372 119.950 0.053 0.000 2.333 690 F HA -0.017 4.510 4.527 -0.000 0.000 0.300 690 F C 1.034 176.865 175.800 0.051 0.000 1.083 690 F CA 0.755 58.705 58.000 -0.083 0.000 1.395 690 F CB 0.158 39.041 39.000 -0.196 0.000 1.056 690 F HN 0.349 nan 8.300 nan 0.000 0.529 691 I N 0.463 121.205 120.570 0.288 0.000 2.464 691 I HA 0.305 4.475 4.170 -0.000 0.000 0.277 691 I C -0.085 176.179 176.117 0.246 0.000 1.040 691 I CA -0.880 60.559 61.300 0.232 0.000 1.153 691 I CB 0.813 38.934 38.000 0.201 0.000 1.274 691 I HN -0.187 nan 8.210 nan 0.000 0.469 692 A N 3.967 126.890 122.820 0.171 0.000 2.515 692 A HA 0.170 4.490 4.320 -0.000 0.000 0.263 692 A C 1.597 179.271 177.584 0.150 0.000 1.096 692 A CA 0.300 52.430 52.037 0.154 0.000 0.769 692 A CB -0.052 19.024 19.000 0.126 0.000 1.040 692 A HN 0.856 nan 8.150 nan 0.000 0.505 693 T N 0.667 115.307 114.554 0.143 0.000 2.833 693 T HA -0.214 4.135 4.350 -0.000 0.000 0.269 693 T C 1.973 176.736 174.700 0.106 0.000 1.054 693 T CA 1.812 63.981 62.100 0.116 0.000 1.135 693 T CB -0.669 68.232 68.868 0.055 0.000 0.869 693 T HN 1.075 nan 8.240 nan 0.000 0.466 694 S N 2.399 118.166 115.700 0.111 0.000 2.356 694 S HA 0.011 4.481 4.470 -0.000 0.000 0.223 694 S C 2.134 176.788 174.600 0.089 0.000 1.032 694 S CA 1.002 59.269 58.200 0.113 0.000 1.005 694 S CB -1.031 62.281 63.200 0.186 0.000 0.867 694 S HN 0.520 nan 8.310 nan 0.000 0.449 695 L N 1.235 122.482 121.223 0.039 0.000 2.141 695 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 695 L C 2.948 179.907 176.870 0.147 0.000 1.094 695 L CA 1.426 56.286 54.840 0.034 0.000 0.763 695 L CB -0.493 41.535 42.059 -0.052 0.000 0.908 695 L HN 0.382 nan 8.230 nan 0.000 0.437 696 K N 0.742 121.218 120.400 0.127 0.000 2.057 696 K HA -0.179 4.140 4.320 -0.000 0.000 0.207 696 K C 1.738 178.417 176.600 0.132 0.000 1.049 696 K CA 1.661 58.024 56.287 0.126 0.000 0.931 696 K CB -0.053 32.521 32.500 0.123 0.000 0.714 696 K HN 0.422 nan 8.250 nan 0.000 0.440 697 N N -0.341 118.443 118.700 0.139 0.000 2.120 697 N HA -0.178 4.562 4.740 -0.000 0.000 0.188 697 N C 1.713 177.338 175.510 0.192 0.000 1.024 697 N CA 1.049 54.182 53.050 0.139 0.000 0.852 697 N CB -0.181 38.383 38.487 0.127 0.000 1.003 697 N HN 0.075 nan 8.380 nan 0.000 0.424 698 F N 2.594 122.558 119.950 0.023 0.000 2.095 698 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 698 F C 2.318 178.183 175.800 0.109 0.000 1.104 698 F CA 1.458 59.465 58.000 0.012 0.000 1.232 698 F CB -0.359 38.595 39.000 -0.076 0.000 0.987 698 F HN 0.137 nan 8.300 nan 0.000 0.475 699 E N -0.627 119.642 120.200 0.114 0.000 2.150 699 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 699 E C 1.784 178.387 176.600 0.005 0.000 0.985 699 E CA 1.410 57.823 56.400 0.022 0.000 0.814 699 E CB -0.768 28.977 29.700 0.075 0.000 0.752 699 E HN 0.551 nan 8.360 nan 0.000 0.466 700 E N 0.967 121.193 120.200 0.043 0.000 2.274 700 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 700 E C 1.712 178.316 176.600 0.008 0.000 0.996 700 E CA 0.617 57.034 56.400 0.028 0.000 0.840 700 E CB 0.000 29.730 29.700 0.050 0.000 0.772 700 E HN 0.387 nan 8.360 nan 0.000 0.491 701 Q N -0.645 119.170 119.800 0.024 0.000 2.444 701 Q HA 0.056 4.396 4.340 -0.000 0.000 0.206 701 Q C 0.965 176.889 176.000 -0.126 0.000 0.948 701 Q CA 0.465 56.282 55.803 0.023 0.000 0.946 701 Q CB 0.742 29.578 28.738 0.163 0.000 1.027 701 Q HN 0.397 nan 8.270 nan 0.000 0.513 702 G N -0.173 108.524 108.800 -0.172 0.000 2.179 702 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 702 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 702 G C -0.307 174.332 174.900 -0.435 0.000 0.990 702 G CA -0.505 44.418 45.100 -0.294 0.000 0.646 702 G HN 0.362 nan 8.290 nan 0.000 0.517 703 Y N 2.108 122.120 120.300 -0.481 0.000 2.667 703 Y HA 0.437 4.987 4.550 -0.000 0.000 0.340 703 Y C 1.044 176.803 175.900 -0.236 0.000 1.303 703 Y CA -0.974 56.738 58.100 -0.646 0.000 1.769 703 Y CB 0.008 37.283 38.460 -1.975 0.000 1.804 703 Y HN 0.088 nan 8.280 nan 0.000 0.451 704 I N 2.254 122.859 120.570 0.059 0.000 2.517 704 I HA 0.030 4.200 4.170 -0.000 0.000 0.285 704 I C 0.151 176.401 176.117 0.223 0.000 1.106 704 I CA 0.048 61.415 61.300 0.111 0.000 1.402 704 I CB 0.550 38.577 38.000 0.045 0.000 1.399 704 I HN 0.431 nan 8.210 nan 0.000 0.535 705 D N 5.746 126.282 120.400 0.227 0.000 2.358 705 D HA 0.083 4.723 4.640 -0.000 0.000 0.253 705 D C 0.912 177.303 176.300 0.153 0.000 1.288 705 D CA -0.333 53.804 54.000 0.227 0.000 0.950 705 D CB 0.957 41.994 40.800 0.394 0.000 1.197 705 D HN 0.647 nan 8.370 nan 0.000 0.550 706 E N 1.789 122.045 120.200 0.093 0.000 2.130 706 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 706 E C 0.273 176.810 176.600 -0.105 0.000 0.998 706 E CA 1.352 57.742 56.400 -0.017 0.000 0.806 706 E CB 0.132 29.793 29.700 -0.065 0.000 0.738 706 E HN 0.527 nan 8.360 nan 0.000 0.459 707 H N -0.993 118.146 119.070 0.114 0.000 2.536 707 H HA 0.232 4.788 4.556 -0.000 0.000 0.276 707 H C 0.247 175.664 175.328 0.148 0.000 1.019 707 H CA 0.369 56.507 56.048 0.150 0.000 1.159 707 H CB 0.298 30.192 29.762 0.221 0.000 1.373 707 H HN -0.099 nan 8.280 nan 0.000 0.584 708 R N 1.375 121.992 120.500 0.195 0.000 2.734 708 R HA 0.145 4.485 4.340 -0.000 0.000 0.242 708 R C -3.176 173.210 176.300 0.144 0.000 1.617 708 R CA -1.498 54.710 56.100 0.180 0.000 1.572 708 R CB 0.649 31.080 30.300 0.218 0.000 1.477 708 R HN 0.108 nan 8.270 nan 0.000 0.707 709 P HA 0.043 nan 4.420 nan 0.000 0.274 709 P C 0.671 178.024 177.300 0.088 0.000 1.231 709 P CA 0.033 63.183 63.100 0.083 0.000 0.790 709 P CB 1.535 33.260 31.700 0.042 0.000 0.951 710 S N 2.441 118.195 115.700 0.089 0.000 2.399 710 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 710 S C 1.133 175.798 174.600 0.109 0.000 1.022 710 S CA 0.633 58.888 58.200 0.092 0.000 0.983 710 S CB -0.528 62.734 63.200 0.103 0.000 0.803 710 S HN 0.592 nan 8.310 nan 0.000 0.480 711 M N 2.463 122.126 119.600 0.105 0.000 2.233 711 M HA 0.265 4.744 4.480 -0.000 0.000 0.355 711 M C -0.433 175.969 176.300 0.169 0.000 1.191 711 M CA -0.632 54.754 55.300 0.144 0.000 1.101 711 M CB 0.878 33.539 32.600 0.102 0.000 1.592 711 M HN 0.365 nan 8.290 nan 0.000 0.461 712 H N 4.217 123.385 119.070 0.164 0.000 3.082 712 H HA 0.270 4.826 4.556 -0.000 0.000 0.275 712 H C -0.797 174.806 175.328 0.459 0.000 1.032 712 H CA 0.724 56.912 56.048 0.233 0.000 1.477 712 H CB 0.111 29.926 29.762 0.090 0.000 1.520 712 H HN 0.733 nan 8.280 nan 0.000 0.521 713 T N 1.398 115.959 114.554 0.012 0.000 2.742 713 T HA 0.178 4.528 4.350 -0.000 0.000 0.282 713 T C -0.731 174.074 174.700 0.175 0.000 1.025 713 T CA -1.016 60.920 62.100 -0.273 0.000 1.020 713 T CB 0.582 69.092 68.868 -0.597 0.000 1.317 713 T HN 0.467 nan 8.240 nan 0.000 0.538 714 Y N 1.685 121.965 120.300 -0.034 0.000 2.714 714 Y HA 0.530 5.080 4.550 -0.000 0.000 0.333 714 Y C -0.537 175.493 175.900 0.218 0.000 1.220 714 Y CA -0.993 57.239 58.100 0.219 0.000 1.513 714 Y CB -0.475 37.999 38.460 0.023 0.000 1.435 714 Y HN 0.503 nan 8.280 nan 0.000 0.489 715 V N 8.370 128.279 119.914 -0.008 0.000 2.455 715 V HA 0.203 4.323 4.120 -0.000 0.000 0.273 715 V C -1.974 174.002 176.094 -0.196 0.000 1.045 715 V CA -1.865 60.393 62.300 -0.069 0.000 0.976 715 V CB 0.686 32.522 31.823 0.021 0.000 0.993 715 V HN 0.634 nan 8.190 nan 0.000 0.475 716 P HA 0.149 nan 4.420 nan 0.000 0.267 716 P C -0.245 177.056 177.300 0.002 0.000 1.205 716 P CA 0.038 62.930 63.100 -0.347 0.000 0.765 716 P CB 0.503 31.841 31.700 -0.604 0.000 0.828 717 A N 5.138 127.996 122.820 0.064 0.000 2.522 717 A HA 0.009 4.329 4.320 -0.000 0.000 0.256 717 A C 1.333 178.960 177.584 0.073 0.000 1.086 717 A CA -0.477 51.570 52.037 0.016 0.000 0.763 717 A CB -0.442 18.522 19.000 -0.059 0.000 1.024 717 A HN 0.841 nan 8.150 nan 0.000 0.502 718 W N 1.797 123.175 121.300 0.129 0.000 2.538 718 W HA -0.010 4.650 4.660 -0.000 0.000 0.254 718 W C 0.126 176.685 176.519 0.067 0.000 1.249 718 W CA 0.762 58.154 57.345 0.078 0.000 1.253 718 W CB -0.206 29.192 29.460 -0.103 0.000 1.130 718 W HN 0.739 nan 8.180 nan 0.000 0.618 719 E N 2.086 122.283 120.200 -0.005 0.000 3.303 719 E HA 0.187 4.537 4.350 -0.000 0.000 0.215 719 E C -0.595 175.986 176.600 -0.033 0.000 1.181 719 E CA -0.193 56.233 56.400 0.043 0.000 0.998 719 E CB 0.289 29.950 29.700 -0.065 0.000 1.312 719 E HN 0.069 nan 8.360 nan 0.000 0.412 720 S N 0.700 116.428 115.700 0.047 0.000 2.671 720 S HA 0.299 4.769 4.470 -0.000 0.000 0.299 720 S C 0.875 175.490 174.600 0.026 0.000 1.116 720 S CA -0.790 57.424 58.200 0.023 0.000 0.912 720 S CB 1.622 64.869 63.200 0.079 0.000 1.130 720 S HN 0.326 nan 8.310 nan 0.000 0.501 721 Q N 0.597 120.385 119.800 -0.020 0.000 2.172 721 Q HA -0.053 4.287 4.340 -0.000 0.000 0.200 721 Q C 1.688 177.640 176.000 -0.080 0.000 0.964 721 Q CA 1.433 57.214 55.803 -0.037 0.000 0.855 721 Q CB -0.287 28.421 28.738 -0.050 0.000 0.918 721 Q HN 0.861 nan 8.270 nan 0.000 0.444 722 K N -1.103 119.191 120.400 -0.177 0.000 2.358 722 K HA 0.046 4.366 4.320 -0.000 0.000 0.197 722 K C 0.845 177.203 176.600 -0.403 0.000 1.025 722 K CA 0.366 56.465 56.287 -0.312 0.000 1.104 722 K CB 0.513 32.754 32.500 -0.432 0.000 0.855 722 K HN 0.147 nan 8.250 nan 0.000 0.531 723 H N -0.585 118.521 119.070 0.060 0.000 3.205 723 H HA 0.152 4.708 4.556 -0.000 0.000 0.252 723 H C -0.100 175.292 175.328 0.106 0.000 1.015 723 H CA -0.140 55.962 56.048 0.091 0.000 1.192 723 H CB 0.953 30.785 29.762 0.117 0.000 1.474 723 H HN 0.108 nan 8.280 nan 0.000 0.484 724 S N 2.332 118.147 115.700 0.192 0.000 2.489 724 S HA 0.155 4.625 4.470 -0.000 0.000 0.277 724 S C -1.603 173.070 174.600 0.122 0.000 1.230 724 S CA -1.331 56.975 58.200 0.178 0.000 1.053 724 S CB 1.343 64.652 63.200 0.181 0.000 0.955 724 S HN -0.059 nan 8.310 nan 0.000 0.488 725 P HA -0.058 nan 4.420 nan 0.000 0.221 725 P C 1.213 178.551 177.300 0.062 0.000 1.145 725 P CA 0.370 63.517 63.100 0.077 0.000 0.795 725 P CB 0.151 31.896 31.700 0.076 0.000 0.775 726 L N -0.571 120.712 121.223 0.099 0.000 2.217 726 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 726 L C 2.177 179.094 176.870 0.079 0.000 1.107 726 L CA 1.229 56.141 54.840 0.119 0.000 0.783 726 L CB -1.600 40.587 42.059 0.213 0.000 0.919 726 L HN -0.108 nan 8.230 nan 0.000 0.442 727 A N -0.890 121.972 122.820 0.069 0.000 2.076 727 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 727 A C 2.242 179.813 177.584 -0.020 0.000 1.160 727 A CA 1.708 53.768 52.037 0.037 0.000 0.653 727 A CB -0.983 18.032 19.000 0.025 0.000 0.801 727 A HN 0.391 nan 8.150 nan 0.000 0.455 728 V N -2.943 116.944 119.914 -0.046 0.000 2.626 728 V HA -0.114 4.006 4.120 -0.000 0.000 0.252 728 V C 1.875 177.888 176.094 -0.135 0.000 1.067 728 V CA 2.224 64.482 62.300 -0.070 0.000 1.081 728 V CB -0.566 31.225 31.823 -0.053 0.000 0.686 728 V HN 0.478 nan 8.190 nan 0.000 0.468 729 K N -0.958 119.283 120.400 -0.265 0.000 2.244 729 K HA 0.188 4.508 4.320 -0.000 0.000 0.200 729 K C -0.185 176.074 176.600 -0.567 0.000 1.052 729 K CA 0.445 56.428 56.287 -0.506 0.000 0.980 729 K CB 0.270 32.243 32.500 -0.877 0.000 0.838 729 K HN 0.578 nan 8.250 nan 0.000 0.481 730 Y N 1.069 121.349 120.300 -0.033 0.000 2.805 730 Y HA 0.212 4.762 4.550 -0.000 0.000 0.339 730 Y C -1.978 173.884 175.900 -0.063 0.000 1.012 730 Y CA -2.982 55.067 58.100 -0.084 0.000 1.262 730 Y CB 0.920 39.325 38.460 -0.091 0.000 1.100 730 Y HN 0.025 nan 8.280 nan 0.000 0.559 731 P HA -0.085 nan 4.420 nan 0.000 0.225 731 P C 0.081 177.383 177.300 0.003 0.000 1.156 731 P CA 0.909 64.013 63.100 0.008 0.000 0.787 731 P CB 0.957 32.651 31.700 -0.010 0.000 0.802 732 L N 0.307 121.531 121.223 0.002 0.000 2.305 732 L HA 0.434 4.774 4.340 -0.000 0.000 0.281 732 L C 1.087 177.947 176.870 -0.017 0.000 1.085 732 L CA -0.685 54.147 54.840 -0.015 0.000 0.813 732 L CB 0.875 42.917 42.059 -0.028 0.000 1.157 732 L HN -0.095 nan 8.230 nan 0.000 0.436 733 G N 4.204 112.992 108.800 -0.020 0.000 2.329 733 G HA2 0.496 4.456 3.960 -0.000 0.000 0.309 733 G HA3 0.496 4.456 3.960 -0.000 0.000 0.309 733 G C -0.609 174.275 174.900 -0.027 0.000 1.110 733 G CA -0.484 44.602 45.100 -0.024 0.000 0.923 733 G HN 0.567 nan 8.290 nan 0.000 0.430 734 M N 3.869 123.444 119.600 -0.041 0.000 2.336 734 M HA 0.728 5.208 4.480 -0.000 0.000 0.342 734 M C -0.881 175.387 176.300 -0.053 0.000 1.128 734 M CA -1.003 54.267 55.300 -0.050 0.000 1.016 734 M CB 1.643 34.201 32.600 -0.070 0.000 1.665 734 M HN 0.473 nan 8.290 nan 0.000 0.445 735 L N 2.754 123.939 121.223 -0.063 0.000 2.381 735 L HA 0.844 5.184 4.340 -0.000 0.000 0.268 735 L C -1.078 175.686 176.870 -0.178 0.000 0.997 735 L CA -0.540 54.263 54.840 -0.062 0.000 0.818 735 L CB 2.291 44.357 42.059 0.011 0.000 1.310 735 L HN 0.773 nan 8.230 nan 0.000 0.416 736 S N 1.218 116.843 115.700 -0.125 0.000 2.158 736 S HA 0.557 5.027 4.470 -0.000 0.000 0.160 736 S C -2.633 171.986 174.600 0.031 0.000 1.693 736 S CA -1.105 57.010 58.200 -0.142 0.000 1.251 736 S CB 0.366 63.533 63.200 -0.055 0.000 1.153 736 S HN 0.562 nan 8.310 nan 0.000 0.439 737 P HA 0.132 nan 4.420 nan 0.000 0.280 737 P C -0.131 177.462 177.300 0.487 0.000 1.278 737 P CA -0.284 62.987 63.100 0.285 0.000 0.787 737 P CB 0.229 32.147 31.700 0.363 0.000 1.163 738 H N 0.342 119.505 119.070 0.155 0.000 2.732 738 H HA 0.119 4.675 4.556 -0.000 0.000 0.351 738 H C -1.632 173.555 175.328 -0.235 0.000 1.090 738 H CA -1.847 54.178 56.048 -0.039 0.000 1.431 738 H CB -0.203 29.428 29.762 -0.219 0.000 1.447 738 H HN 0.352 nan 8.280 nan 0.000 0.582 739 P HA -0.086 nan 4.420 nan 0.000 0.264 739 P C 0.522 177.476 177.300 -0.576 0.000 1.193 739 P CA 0.004 62.863 63.100 -0.402 0.000 0.763 739 P CB 1.087 32.823 31.700 0.060 0.000 0.810 740 R N 4.035 123.968 120.500 -0.944 0.000 2.075 740 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 740 R C 0.952 176.830 176.300 -0.705 0.000 1.126 740 R CA 1.771 57.389 56.100 -0.804 0.000 0.963 740 R CB -0.979 28.743 30.300 -0.963 0.000 0.858 740 R HN 0.430 nan 8.270 nan 0.000 0.435 741 F N -0.065 119.819 119.950 -0.110 0.000 2.837 741 F HA 0.464 4.991 4.527 -0.000 0.000 0.298 741 F C -0.060 175.710 175.800 -0.050 0.000 1.161 741 F CA -0.249 57.698 58.000 -0.088 0.000 1.353 741 F CB 0.526 39.371 39.000 -0.258 0.000 0.951 741 F HN -0.057 nan 8.300 nan 0.000 0.508 742 S N 0.638 116.384 115.700 0.078 0.000 2.558 742 S HA 0.397 4.867 4.470 -0.000 0.000 0.277 742 S C -1.166 173.037 174.600 -0.663 0.000 1.143 742 S CA -0.707 57.386 58.200 -0.178 0.000 0.865 742 S CB 1.126 64.293 63.200 -0.054 0.000 1.102 742 S HN 0.038 nan 8.310 nan 0.000 0.454 743 M N 5.540 124.491 119.600 -1.082 0.000 2.664 743 M HA 0.318 4.798 4.480 -0.000 0.000 0.332 743 M C 0.331 176.386 176.300 -0.408 0.000 1.354 743 M CA 0.813 55.565 55.300 -0.915 0.000 1.399 743 M CB -1.849 30.246 32.600 -0.841 0.000 1.224 743 M HN 0.941 nan 8.290 nan 0.000 0.479 744 H N 0.095 118.983 119.070 -0.305 0.000 1.452 744 H HA -0.253 4.303 4.556 -0.000 0.000 0.090 744 H C 1.228 176.465 175.328 -0.152 0.000 0.789 744 H CA 2.360 58.282 56.048 -0.209 0.000 1.901 744 H CB -1.389 28.259 29.762 -0.190 0.000 2.257 744 H HN 0.607 nan 8.280 nan 0.000 0.961 745 T N 0.249 114.815 114.554 0.020 0.000 3.035 745 T HA 0.064 4.414 4.350 -0.000 0.000 0.268 745 T C 1.406 176.014 174.700 -0.153 0.000 1.109 745 T CA 1.251 63.306 62.100 -0.076 0.000 1.119 745 T CB -0.190 68.619 68.868 -0.097 0.000 0.900 745 T HN 0.290 nan 8.240 nan 0.000 0.503 746 M N 2.040 121.560 119.600 -0.133 0.000 3.254 746 M HA 0.429 4.909 4.480 -0.000 0.000 0.257 746 M C 1.301 177.474 176.300 -0.213 0.000 1.490 746 M CA 0.200 55.388 55.300 -0.186 0.000 1.620 746 M CB -0.026 32.574 32.600 -0.001 0.000 1.157 746 M HN 0.591 nan 8.290 nan 0.000 0.541 747 G N 0.600 109.234 108.800 -0.276 0.000 3.819 747 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.210 747 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.210 747 G C -0.295 174.501 174.900 -0.174 0.000 1.018 747 G CA -0.624 44.364 45.100 -0.185 0.000 0.882 747 G HN 0.523 nan 8.290 nan 0.000 0.377 748 D N 0.816 121.172 120.400 -0.073 0.000 2.357 748 D HA 0.494 5.133 4.640 -0.000 0.000 0.242 748 D C 1.349 177.611 176.300 -0.064 0.000 1.153 748 D CA 1.961 56.027 54.000 0.111 0.000 0.918 748 D CB 0.661 41.664 40.800 0.338 0.000 1.181 748 D HN 1.304 nan 8.370 nan 0.000 0.435 749 G N 2.116 110.904 108.800 -0.019 0.000 2.574 749 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.282 749 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.282 749 G C 0.006 174.784 174.900 -0.203 0.000 1.257 749 G CA 0.434 45.462 45.100 -0.120 0.000 0.956 749 G HN 0.943 nan 8.290 nan 0.000 0.560 750 K N -1.075 119.206 120.400 -0.198 0.000 3.130 750 K HA -0.340 3.980 4.320 -0.000 0.000 0.282 750 K C 0.664 177.189 176.600 -0.125 0.000 1.145 750 K CA 1.292 57.459 56.287 -0.200 0.000 0.831 750 K CB -1.723 30.470 32.500 -0.512 0.000 1.226 750 K HN 1.929 nan 8.250 nan 0.000 0.478 751 N N 0.074 118.708 118.700 -0.109 0.000 2.708 751 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 751 N C -0.056 175.406 175.510 -0.079 0.000 1.097 751 N CA 1.106 54.109 53.050 -0.077 0.000 0.710 751 N CB -0.621 37.864 38.487 -0.004 0.000 1.032 751 N HN 0.662 nan 8.380 nan 0.000 0.551 752 S N -1.408 114.198 115.700 -0.157 0.000 2.641 752 S HA 0.253 4.722 4.470 -0.000 0.000 0.261 752 S C 1.193 175.792 174.600 -0.001 0.000 1.257 752 S CA -0.291 57.790 58.200 -0.198 0.000 0.983 752 S CB 0.395 63.439 63.200 -0.260 0.000 0.990 752 S HN 0.177 nan 8.310 nan 0.000 0.572 753 Y N -0.252 120.077 120.300 0.048 0.000 2.395 753 Y HA 0.122 4.672 4.550 -0.000 0.000 0.293 753 Y C 2.279 178.231 175.900 0.087 0.000 1.123 753 Y CA 0.134 58.353 58.100 0.198 0.000 1.227 753 Y CB -1.206 37.328 38.460 0.123 0.000 1.012 753 Y HN 0.452 nan 8.280 nan 0.000 0.552 754 M N 0.149 119.796 119.600 0.079 0.000 2.346 754 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 754 M C 1.355 177.571 176.300 -0.140 0.000 1.064 754 M CA 1.089 56.336 55.300 -0.089 0.000 1.083 754 M CB -0.611 31.874 32.600 -0.192 0.000 1.399 754 M HN 0.145 nan 8.290 nan 0.000 0.435 755 N N -0.991 117.619 118.700 -0.151 0.000 2.550 755 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 755 N C 0.562 175.845 175.510 -0.378 0.000 1.110 755 N CA 0.966 53.887 53.050 -0.215 0.000 0.912 755 N CB -0.051 38.200 38.487 -0.392 0.000 0.968 755 N HN 0.517 nan 8.380 nan 0.000 0.448 756 Y N 0.294 120.585 120.300 -0.015 0.000 2.458 756 Y HA 0.345 4.895 4.550 -0.000 0.000 0.256 756 Y C 0.780 176.615 175.900 -0.107 0.000 1.159 756 Y CA -0.419 57.651 58.100 -0.049 0.000 1.261 756 Y CB 0.375 38.808 38.460 -0.046 0.000 1.119 756 Y HN -0.124 nan 8.280 nan 0.000 0.524 757 I N 1.449 121.966 120.570 -0.088 0.000 2.452 757 I HA -0.030 4.140 4.170 -0.000 0.000 0.287 757 I C 1.095 177.069 176.117 -0.238 0.000 1.079 757 I CA 0.084 61.219 61.300 -0.275 0.000 1.387 757 I CB 1.244 38.837 38.000 -0.679 0.000 1.404 757 I HN 0.244 nan 8.210 nan 0.000 0.522 758 K N 3.264 123.559 120.400 -0.175 0.000 2.077 758 K HA -0.247 4.073 4.320 -0.000 0.000 0.213 758 K C 0.938 177.479 176.600 -0.099 0.000 1.051 758 K CA 1.816 58.042 56.287 -0.103 0.000 0.929 758 K CB -0.096 32.363 32.500 -0.067 0.000 0.715 758 K HN 0.570 nan 8.250 nan 0.000 0.451 759 D N -0.834 119.489 120.400 -0.128 0.000 2.370 759 D HA -0.018 4.621 4.640 -0.000 0.000 0.230 759 D C 0.868 177.221 176.300 0.089 0.000 1.143 759 D CA 0.269 54.290 54.000 0.035 0.000 0.834 759 D CB 0.208 41.153 40.800 0.241 0.000 0.944 759 D HN 0.250 nan 8.370 nan 0.000 0.504 760 H N -0.623 118.304 119.070 -0.238 0.000 2.338 760 H HA 0.435 4.990 4.556 -0.000 0.000 0.291 760 H C -0.086 175.080 175.328 -0.270 0.000 0.989 760 H CA 0.536 56.454 56.048 -0.217 0.000 1.281 760 H CB 0.659 30.237 29.762 -0.308 0.000 1.484 760 H HN -0.183 nan 8.280 nan 0.000 0.576 761 R N 0.242 120.585 120.500 -0.262 0.000 2.651 761 R HA 0.510 4.850 4.340 -0.000 0.000 0.278 761 R C -1.708 174.542 176.300 -0.083 0.000 1.010 761 R CA -0.922 55.047 56.100 -0.218 0.000 0.896 761 R CB 3.189 33.373 30.300 -0.192 0.000 1.211 761 R HN -0.014 nan 8.270 nan 0.000 0.456 762 V N 1.947 121.859 119.914 -0.004 0.000 2.417 762 V HA 0.247 4.367 4.120 -0.000 0.000 0.291 762 V C -0.026 176.150 176.094 0.137 0.000 1.024 762 V CA -0.720 61.610 62.300 0.050 0.000 0.861 762 V CB 1.570 33.424 31.823 0.052 0.000 0.985 762 V HN 0.716 nan 8.190 nan 0.000 0.436 763 E N 3.834 124.098 120.200 0.107 0.000 2.289 763 E HA 0.554 4.904 4.350 -0.000 0.000 0.278 763 E C -1.431 175.296 176.600 0.211 0.000 1.032 763 E CA -0.288 56.202 56.400 0.151 0.000 0.854 763 E CB 1.402 31.154 29.700 0.087 0.000 1.046 763 E HN 0.495 nan 8.360 nan 0.000 0.409 764 V N 4.907 125.029 119.914 0.347 0.000 2.668 764 V HA 0.148 4.268 4.120 -0.000 0.000 0.304 764 V C -0.573 175.732 176.094 0.352 0.000 1.071 764 V CA -0.826 61.656 62.300 0.303 0.000 0.894 764 V CB 1.847 33.809 31.823 0.231 0.000 1.008 764 V HN 0.937 nan 8.190 nan 0.000 0.425 765 D N 3.757 124.288 120.400 0.218 0.000 2.837 765 D HA -0.204 4.436 4.640 -0.000 0.000 0.230 765 D C 1.314 177.734 176.300 0.201 0.000 1.152 765 D CA 1.906 56.020 54.000 0.191 0.000 0.736 765 D CB -0.951 39.972 40.800 0.206 0.000 1.084 765 D HN 1.586 nan 8.370 nan 0.000 0.429 766 G N -0.747 108.162 108.800 0.181 0.000 2.179 766 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.260 766 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.260 766 G C -0.086 174.911 174.900 0.160 0.000 0.977 766 G CA 0.482 45.670 45.100 0.147 0.000 0.641 766 G HN 0.535 nan 8.290 nan 0.000 0.533 767 Y N 1.020 121.354 120.300 0.056 0.000 2.364 767 Y HA 0.620 5.170 4.550 -0.000 0.000 0.340 767 Y C 0.174 175.977 175.900 -0.162 0.000 0.975 767 Y CA -1.128 56.895 58.100 -0.128 0.000 1.089 767 Y CB 1.262 39.533 38.460 -0.315 0.000 1.192 767 Y HN 0.019 nan 8.280 nan 0.000 0.454 768 K N 6.333 126.354 120.400 -0.632 0.000 2.263 768 K HA 0.218 4.538 4.320 -0.000 0.000 0.282 768 K C -1.587 174.798 176.600 -0.358 0.000 1.089 768 K CA -0.257 55.822 56.287 -0.346 0.000 0.907 768 K CB 0.455 32.754 32.500 -0.335 0.000 1.148 768 K HN 0.520 nan 8.250 nan 0.000 0.470 769 Y N 1.346 121.673 120.300 0.045 0.000 2.320 769 Y HA 0.120 4.670 4.550 -0.000 0.000 0.324 769 Y C 0.594 176.553 175.900 0.099 0.000 1.190 769 Y CA -0.785 57.406 58.100 0.151 0.000 1.215 769 Y CB 0.629 39.197 38.460 0.179 0.000 1.221 769 Y HN 0.536 nan 8.280 nan 0.000 0.486 770 W N 4.397 125.755 121.300 0.096 0.000 2.137 770 W HA 0.279 4.939 4.660 -0.000 0.000 0.344 770 W C -0.962 175.574 176.519 0.027 0.000 1.286 770 W CA -0.322 57.016 57.345 -0.011 0.000 1.240 770 W CB 0.480 29.932 29.460 -0.014 0.000 1.141 770 W HN 0.429 nan 8.180 nan 0.000 0.579 771 I N 5.841 126.169 120.570 -0.402 0.000 2.437 771 I HA 0.310 4.480 4.170 -0.000 0.000 0.298 771 I C 0.178 176.223 176.117 -0.121 0.000 0.984 771 I CA -0.802 60.368 61.300 -0.216 0.000 1.214 771 I CB 1.747 39.598 38.000 -0.248 0.000 1.365 771 I HN 0.265 nan 8.210 nan 0.000 0.469 772 M N 5.902 125.481 119.600 -0.035 0.000 2.259 772 M HA 0.479 4.959 4.480 -0.000 0.000 0.304 772 M C -1.287 174.989 176.300 -0.040 0.000 1.019 772 M CA -0.501 54.789 55.300 -0.017 0.000 0.922 772 M CB 1.612 34.221 32.600 0.015 0.000 1.600 772 M HN 0.491 nan 8.290 nan 0.000 0.433 773 R N 3.241 123.705 120.500 -0.060 0.000 2.297 773 R HA 0.677 5.016 4.340 -0.000 0.000 0.308 773 R C -1.257 175.012 176.300 -0.051 0.000 1.029 773 R CA -0.642 55.407 56.100 -0.084 0.000 0.929 773 R CB 1.389 31.569 30.300 -0.200 0.000 1.046 773 R HN 0.506 nan 8.270 nan 0.000 0.461 774 V N 2.756 122.651 119.914 -0.032 0.000 2.709 774 V HA 0.182 4.301 4.120 -0.000 0.000 0.308 774 V C -0.110 175.983 176.094 -0.001 0.000 1.062 774 V CA -1.178 61.115 62.300 -0.012 0.000 0.901 774 V CB 1.901 33.721 31.823 -0.006 0.000 1.003 774 V HN 0.754 nan 8.190 nan 0.000 0.425 775 N N 2.382 121.088 118.700 0.011 0.000 2.483 775 N HA -0.015 4.725 4.740 -0.000 0.000 0.264 775 N C 1.527 177.046 175.510 0.015 0.000 1.197 775 N CA 0.725 53.788 53.050 0.022 0.000 0.927 775 N CB 1.621 40.127 38.487 0.032 0.000 1.065 775 N HN 0.881 nan 8.380 nan 0.000 0.461 776 S N 4.870 120.581 115.700 0.017 0.000 2.381 776 S HA -0.241 4.229 4.470 -0.000 0.000 0.230 776 S C 2.019 176.626 174.600 0.011 0.000 1.052 776 S CA 1.194 59.402 58.200 0.013 0.000 1.068 776 S CB -0.542 62.666 63.200 0.014 0.000 0.918 776 S HN 0.698 nan 8.310 nan 0.000 0.448 777 I N 2.462 123.039 120.570 0.011 0.000 2.226 777 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 777 I C 2.212 178.333 176.117 0.006 0.000 1.100 777 I CA 1.750 63.055 61.300 0.007 0.000 1.374 777 I CB -0.547 37.455 38.000 0.004 0.000 1.057 777 I HN 0.316 nan 8.210 nan 0.000 0.413 778 D N 1.027 121.432 120.400 0.007 0.000 2.149 778 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 778 D C 2.270 178.576 176.300 0.010 0.000 0.972 778 D CA 1.369 55.373 54.000 0.006 0.000 0.835 778 D CB -0.021 40.782 40.800 0.004 0.000 0.966 778 D HN 0.328 nan 8.370 nan 0.000 0.476 779 A N 1.537 124.364 122.820 0.011 0.000 1.877 779 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 779 A C 2.149 179.742 177.584 0.015 0.000 1.186 779 A CA 1.451 53.496 52.037 0.013 0.000 0.620 779 A CB -0.402 18.604 19.000 0.011 0.000 0.822 779 A HN 0.070 nan 8.150 nan 0.000 0.443 780 E N 0.768 120.975 120.200 0.013 0.000 2.058 780 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 780 E C 2.145 178.753 176.600 0.014 0.000 0.997 780 E CA 1.570 57.977 56.400 0.012 0.000 0.801 780 E CB -0.533 29.173 29.700 0.009 0.000 0.746 780 E HN 0.431 nan 8.360 nan 0.000 0.450 781 A N 1.088 123.916 122.820 0.013 0.000 2.084 781 A HA -0.152 4.167 4.320 -0.000 0.000 0.221 781 A C 2.068 179.665 177.584 0.020 0.000 1.161 781 A CA 1.494 53.539 52.037 0.014 0.000 0.653 781 A CB -0.391 18.616 19.000 0.011 0.000 0.802 781 A HN 0.225 nan 8.150 nan 0.000 0.457 782 R N -1.746 118.769 120.500 0.024 0.000 2.468 782 R HA 0.284 4.624 4.340 -0.000 0.000 0.280 782 R C 1.028 177.350 176.300 0.035 0.000 0.963 782 R CA 0.391 56.512 56.100 0.035 0.000 1.083 782 R CB 0.124 30.449 30.300 0.041 0.000 1.200 782 R HN 0.575 nan 8.270 nan 0.000 0.541 783 G N 1.940 110.756 108.800 0.027 0.000 2.225 783 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.267 783 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.267 783 G C 0.134 175.050 174.900 0.026 0.000 1.024 783 G CA 0.140 45.254 45.100 0.025 0.000 0.784 783 G HN 0.291 nan 8.290 nan 0.000 0.507 784 I N 0.029 120.615 120.570 0.026 0.000 2.365 784 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 784 I C 0.608 176.736 176.117 0.018 0.000 1.004 784 I CA -0.323 60.992 61.300 0.026 0.000 1.311 784 I CB 1.227 39.244 38.000 0.027 0.000 1.401 784 I HN -0.003 nan 8.210 nan 0.000 0.491 785 K N 4.392 124.802 120.400 0.016 0.000 2.221 785 K HA 0.315 4.635 4.320 -0.000 0.000 0.243 785 K C -0.340 176.266 176.600 0.009 0.000 0.968 785 K CA -0.890 55.404 56.287 0.012 0.000 0.846 785 K CB 1.436 33.943 32.500 0.011 0.000 1.141 785 K HN 0.485 nan 8.250 nan 0.000 0.434 786 N N 0.420 119.124 118.700 0.006 0.000 2.411 786 N HA -0.028 4.712 4.740 -0.000 0.000 0.261 786 N C 0.546 176.059 175.510 0.005 0.000 1.248 786 N CA 0.982 54.035 53.050 0.004 0.000 0.885 786 N CB 0.236 38.724 38.487 0.002 0.000 1.062 786 N HN 0.807 nan 8.380 nan 0.000 0.471 787 G N 2.502 111.304 108.800 0.003 0.000 2.232 787 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.226 787 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.226 787 G C -0.269 174.630 174.900 -0.001 0.000 0.996 787 G CA -0.307 44.796 45.100 0.005 0.000 0.626 787 G HN 0.609 nan 8.290 nan 0.000 0.509 788 D N 0.816 121.217 120.400 0.002 0.000 2.423 788 D HA 0.386 5.026 4.640 -0.000 0.000 0.238 788 D C 1.062 177.354 176.300 -0.014 0.000 1.142 788 D CA 0.094 54.096 54.000 0.004 0.000 0.884 788 D CB 0.725 41.538 40.800 0.021 0.000 1.199 788 D HN 0.304 nan 8.370 nan 0.000 0.438 789 L N 2.743 123.957 121.223 -0.015 0.000 2.319 789 L HA 0.341 4.681 4.340 -0.000 0.000 0.280 789 L C 0.517 177.432 176.870 0.075 0.000 1.099 789 L CA -0.412 54.399 54.840 -0.048 0.000 0.828 789 L CB 0.176 42.221 42.059 -0.024 0.000 1.150 789 L HN 0.259 nan 8.230 nan 0.000 0.442 790 I N 1.051 121.636 120.570 0.024 0.000 2.957 790 I HA 0.620 4.790 4.170 -0.000 0.000 0.310 790 I C -0.572 175.548 176.117 0.006 0.000 1.063 790 I CA -1.026 60.314 61.300 0.067 0.000 1.033 790 I CB 2.177 40.203 38.000 0.043 0.000 1.230 790 I HN 0.580 nan 8.210 nan 0.000 0.447 791 R N 3.450 123.982 120.500 0.054 0.000 2.360 791 R HA 0.764 5.104 4.340 -0.000 0.000 0.318 791 R C -1.290 175.060 176.300 0.083 0.000 0.950 791 R CA -0.474 55.616 56.100 -0.017 0.000 0.837 791 R CB 1.636 31.924 30.300 -0.018 0.000 1.165 791 R HN 0.963 nan 8.270 nan 0.000 0.458 792 A N 4.642 127.474 122.820 0.020 0.000 2.292 792 A HA 0.589 4.909 4.320 -0.000 0.000 0.319 792 A C -1.395 176.206 177.584 0.029 0.000 1.206 792 A CA -0.552 51.481 52.037 -0.007 0.000 0.835 792 A CB 0.496 19.464 19.000 -0.053 0.000 1.164 792 A HN 0.815 nan 8.150 nan 0.000 0.505 793 Y N 0.581 120.797 120.300 -0.140 0.000 2.689 793 Y HA 0.763 5.313 4.550 -0.000 0.000 0.333 793 Y C -0.680 175.016 175.900 -0.341 0.000 1.208 793 Y CA -1.008 56.979 58.100 -0.187 0.000 1.055 793 Y CB 1.077 39.469 38.460 -0.113 0.000 1.304 793 Y HN 0.837 nan 8.280 nan 0.000 0.455 794 N N -1.842 116.689 118.700 -0.282 0.000 3.441 794 N HA 0.201 4.940 4.740 -0.000 0.000 0.313 794 N C -0.726 174.686 175.510 -0.163 0.000 1.526 794 N CA -0.318 52.175 53.050 -0.928 0.000 0.871 794 N CB 0.055 37.925 38.487 -1.027 0.000 1.779 794 N HN 0.514 nan 8.380 nan 0.000 0.529 795 D N -0.354 120.010 120.400 -0.061 0.000 2.218 795 D HA -0.049 4.591 4.640 -0.000 0.000 0.204 795 D C 1.286 177.677 176.300 0.151 0.000 0.976 795 D CA 1.115 55.233 54.000 0.197 0.000 0.853 795 D CB -0.088 40.836 40.800 0.206 0.000 0.939 795 D HN 0.434 nan 8.370 nan 0.000 0.481 796 R N -0.107 120.380 120.500 -0.021 0.000 2.148 796 R HA 0.248 4.588 4.340 -0.000 0.000 0.223 796 R C 1.326 177.417 176.300 -0.348 0.000 1.088 796 R CA 0.861 56.902 56.100 -0.098 0.000 0.985 796 R CB 0.266 30.500 30.300 -0.110 0.000 0.880 796 R HN 0.158 nan 8.270 nan 0.000 0.451 797 G N -1.686 106.762 108.800 -0.587 0.000 2.333 797 G HA2 0.203 4.163 3.960 -0.000 0.000 0.288 797 G HA3 0.203 4.163 3.960 -0.000 0.000 0.288 797 G C -1.415 173.088 174.900 -0.662 0.000 1.286 797 G CA -0.796 43.489 45.100 -1.359 0.000 0.865 797 G HN -0.010 nan 8.290 nan 0.000 0.506 798 S N -1.449 113.968 115.700 -0.473 0.000 2.536 798 S HA 0.790 5.260 4.470 -0.000 0.000 0.287 798 S C -0.799 173.715 174.600 -0.144 0.000 1.101 798 S CA -0.541 57.573 58.200 -0.145 0.000 0.950 798 S CB 1.996 65.161 63.200 -0.057 0.000 1.056 798 S HN 1.109 nan 8.310 nan 0.000 0.481 799 V N 3.135 122.970 119.914 -0.132 0.000 2.638 799 V HA 0.500 4.620 4.120 -0.000 0.000 0.306 799 V C -1.158 174.832 176.094 -0.172 0.000 1.052 799 V CA -0.676 61.545 62.300 -0.133 0.000 0.885 799 V CB 1.646 33.411 31.823 -0.096 0.000 0.999 799 V HN 0.746 nan 8.190 nan 0.000 0.424 800 I N 6.048 126.476 120.570 -0.238 0.000 2.325 800 I HA 0.551 4.721 4.170 -0.000 0.000 0.291 800 I C -0.165 175.914 176.117 -0.062 0.000 1.019 800 I CA 0.414 61.513 61.300 -0.336 0.000 1.302 800 I CB 0.904 38.478 38.000 -0.710 0.000 1.401 800 I HN 0.422 nan 8.210 nan 0.000 0.485 801 L N 5.024 126.221 121.223 -0.044 0.000 2.303 801 L HA 0.889 5.229 4.340 -0.000 0.000 0.256 801 L C -0.188 176.678 176.870 -0.007 0.000 1.034 801 L CA -1.011 53.876 54.840 0.078 0.000 0.832 801 L CB 1.610 43.736 42.059 0.111 0.000 1.403 801 L HN 0.544 nan 8.230 nan 0.000 0.419 802 A N 0.740 123.586 122.820 0.044 0.000 2.274 802 A HA 0.808 5.128 4.320 -0.000 0.000 0.309 802 A C -0.079 177.503 177.584 -0.003 0.000 1.226 802 A CA -0.347 51.686 52.037 -0.008 0.000 0.853 802 A CB 0.715 19.739 19.000 0.040 0.000 1.146 802 A HN 0.734 nan 8.150 nan 0.000 0.518 803 A N 2.300 125.114 122.820 -0.009 0.000 2.363 803 A HA 0.539 4.859 4.320 -0.000 0.000 0.270 803 A C 0.148 177.726 177.584 -0.011 0.000 1.121 803 A CA -0.227 51.807 52.037 -0.006 0.000 0.800 803 A CB 0.252 19.253 19.000 0.002 0.000 1.052 803 A HN 0.855 nan 8.150 nan 0.000 0.493 804 Q N 2.945 122.734 119.800 -0.019 0.000 2.401 804 Q HA 0.475 4.815 4.340 -0.000 0.000 0.260 804 Q C -1.469 174.519 176.000 -0.021 0.000 1.034 804 Q CA -0.474 55.317 55.803 -0.021 0.000 0.737 804 Q CB 1.277 29.996 28.738 -0.032 0.000 1.227 804 Q HN 0.566 nan 8.270 nan 0.000 0.488 805 V N 3.297 123.204 119.914 -0.011 0.000 2.572 805 V HA 0.336 4.456 4.120 -0.000 0.000 0.291 805 V C 0.414 176.503 176.094 -0.009 0.000 1.039 805 V CA 0.340 62.636 62.300 -0.007 0.000 1.055 805 V CB 1.222 33.045 31.823 0.000 0.000 0.969 805 V HN 0.832 nan 8.190 nan 0.000 0.482 806 T N 2.532 117.082 114.554 -0.006 0.000 2.787 806 T HA 0.385 4.735 4.350 -0.000 0.000 0.297 806 T C -0.037 174.673 174.700 0.018 0.000 1.221 806 T CA -0.504 61.593 62.100 -0.005 0.000 1.006 806 T CB 2.077 70.930 68.868 -0.025 0.000 1.328 806 T HN 0.641 nan 8.240 nan 0.000 0.509 807 E N 0.573 120.788 120.200 0.024 0.000 2.526 807 E HA 0.201 4.551 4.350 -0.000 0.000 0.208 807 E C 0.956 177.632 176.600 0.127 0.000 0.997 807 E CA 0.122 56.564 56.400 0.070 0.000 0.961 807 E CB 0.012 29.748 29.700 0.060 0.000 1.030 807 E HN 0.574 nan 8.360 nan 0.000 0.483 808 C N 1.282 120.609 119.300 0.045 0.000 2.449 808 C HA 0.317 4.777 4.460 -0.000 0.000 0.322 808 C C 0.769 175.912 174.990 0.256 0.000 1.309 808 C CA -0.043 58.954 59.018 -0.034 0.000 1.657 808 C CB -1.617 26.025 27.740 -0.163 0.000 1.718 808 C HN 0.140 nan 8.230 nan 0.000 0.596 809 L N 0.005 121.438 121.223 0.350 0.000 2.466 809 L HA 0.349 4.689 4.340 -0.000 0.000 0.258 809 L C -0.318 176.684 176.870 0.219 0.000 0.973 809 L CA -0.365 54.664 54.840 0.316 0.000 0.826 809 L CB 1.577 43.717 42.059 0.135 0.000 1.372 809 L HN 0.081 nan 8.230 nan 0.000 0.409 810 Q N 3.000 122.875 119.800 0.124 0.000 2.332 810 Q HA 0.273 4.613 4.340 -0.000 0.000 0.263 810 Q C -2.310 173.699 176.000 0.015 0.000 0.979 810 Q CA -1.450 54.360 55.803 0.011 0.000 0.885 810 Q CB 1.217 29.914 28.738 -0.069 0.000 1.218 810 Q HN 0.217 nan 8.270 nan 0.000 0.405 811 P HA -0.073 nan 4.420 nan 0.000 0.261 811 P C 0.101 177.393 177.300 -0.013 0.000 1.173 811 P CA 1.651 64.750 63.100 -0.002 0.000 0.760 811 P CB 0.381 32.074 31.700 -0.011 0.000 0.783 812 G N 1.466 110.261 108.800 -0.008 0.000 2.195 812 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.224 812 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.224 812 G C 0.120 175.014 174.900 -0.010 0.000 0.990 812 G CA -0.060 45.032 45.100 -0.015 0.000 0.639 812 G HN 0.605 nan 8.290 nan 0.000 0.514 813 T N 1.064 115.619 114.554 0.003 0.000 2.807 813 T HA 0.667 5.017 4.350 -0.000 0.000 0.279 813 T C 0.137 174.847 174.700 0.017 0.000 0.993 813 T CA 0.122 62.230 62.100 0.013 0.000 0.970 813 T CB 2.451 71.341 68.868 0.036 0.000 0.950 813 T HN 1.332 nan 8.240 nan 0.000 0.441 814 V N 0.549 120.466 119.914 0.004 0.000 2.919 814 V HA 0.724 4.844 4.120 -0.000 0.000 0.316 814 V C -0.771 175.328 176.094 0.008 0.000 1.077 814 V CA -0.871 61.427 62.300 -0.003 0.000 0.977 814 V CB 2.056 33.865 31.823 -0.023 0.000 1.039 814 V HN 0.963 nan 8.190 nan 0.000 0.441 815 H N 1.824 120.798 119.070 -0.161 0.000 2.759 815 H HA 0.715 5.270 4.556 -0.000 0.000 0.354 815 H C -1.614 173.561 175.328 -0.256 0.000 1.074 815 H CA -0.028 55.872 56.048 -0.248 0.000 1.226 815 H CB 2.158 31.647 29.762 -0.455 0.000 1.648 815 H HN 0.936 nan 8.280 nan 0.000 0.529 816 S N 5.299 120.699 115.700 -0.501 0.000 2.689 816 S HA 0.298 4.768 4.470 -0.000 0.000 0.274 816 S C -1.295 173.209 174.600 -0.160 0.000 1.176 816 S CA -0.519 57.557 58.200 -0.208 0.000 1.014 816 S CB 0.245 63.481 63.200 0.060 0.000 1.071 816 S HN 0.522 nan 8.310 nan 0.000 0.478 817 Y N 2.830 123.181 120.300 0.086 0.000 2.683 817 Y HA 0.129 4.678 4.550 -0.000 0.000 0.340 817 Y C 1.361 177.520 175.900 0.432 0.000 1.245 817 Y CA 0.206 58.449 58.100 0.238 0.000 1.485 817 Y CB 0.542 39.193 38.460 0.318 0.000 1.328 817 Y HN 0.774 nan 8.280 nan 0.000 0.603 818 E N -0.992 119.453 120.200 0.408 0.000 3.099 818 E HA 0.457 4.807 4.350 -0.000 0.000 0.259 818 E C 0.027 176.694 176.600 0.111 0.000 1.274 818 E CA -0.226 56.268 56.400 0.157 0.000 1.111 818 E CB 0.560 30.312 29.700 0.086 0.000 1.327 818 E HN 0.501 nan 8.360 nan 0.000 0.652 819 S N -2.473 113.201 115.700 -0.043 0.000 3.228 819 S HA -0.253 4.217 4.470 -0.000 0.000 0.282 819 S C 0.332 174.818 174.600 -0.191 0.000 1.286 819 S CA 0.540 58.708 58.200 -0.054 0.000 1.066 819 S CB -2.697 60.567 63.200 0.106 0.000 1.277 819 S HN 0.800 nan 8.310 nan 0.000 0.661 820 C N 2.272 121.266 119.300 -0.510 0.000 2.465 820 C HA 0.399 4.859 4.460 -0.000 0.000 0.402 820 C C 1.934 176.725 174.990 -0.332 0.000 1.448 820 C CA 0.487 59.064 59.018 -0.735 0.000 1.589 820 C CB -0.401 26.680 27.740 -1.098 0.000 2.535 820 C HN 0.791 nan 8.230 nan 0.000 0.600 821 A N 4.871 127.563 122.820 -0.212 0.000 2.132 821 A HA 0.261 4.581 4.320 -0.000 0.000 0.213 821 A C 0.732 178.236 177.584 -0.133 0.000 1.154 821 A CA 0.575 52.517 52.037 -0.159 0.000 0.753 821 A CB -0.115 18.789 19.000 -0.161 0.000 0.826 821 A HN 0.829 nan 8.150 nan 0.000 0.469 822 V N 0.493 120.331 119.914 -0.127 0.000 2.383 822 V HA 0.254 4.374 4.120 -0.000 0.000 0.275 822 V C -0.671 175.416 176.094 -0.013 0.000 1.036 822 V CA -0.431 61.825 62.300 -0.073 0.000 0.889 822 V CB 0.553 32.337 31.823 -0.065 0.000 0.985 822 V HN 0.384 nan 8.190 nan 0.000 0.459 823 Y N 4.380 124.608 120.300 -0.119 0.000 2.356 823 Y HA 0.623 5.173 4.550 -0.000 0.000 0.334 823 Y C -0.456 175.404 175.900 -0.067 0.000 0.958 823 Y CA -1.469 56.576 58.100 -0.091 0.000 1.196 823 Y CB 1.432 39.855 38.460 -0.062 0.000 1.137 823 Y HN 0.724 nan 8.280 nan 0.000 0.485 824 D N 9.203 129.289 120.400 -0.523 0.000 2.429 824 D HA 0.287 4.927 4.640 -0.000 0.000 0.255 824 D C -3.143 172.873 176.300 -0.473 0.000 1.257 824 D CA -1.998 51.742 54.000 -0.435 0.000 0.890 824 D CB 1.370 42.080 40.800 -0.150 0.000 1.267 824 D HN 0.222 nan 8.370 nan 0.000 0.521 825 P HA 0.094 nan 4.420 nan 0.000 0.271 825 P C 0.939 178.141 177.300 -0.163 0.000 1.216 825 P CA -0.369 62.522 63.100 -0.349 0.000 0.776 825 P CB 1.596 33.117 31.700 -0.300 0.000 0.881 826 L N 1.283 122.468 121.223 -0.063 0.000 2.395 826 L HA 0.116 4.455 4.340 -0.000 0.000 0.218 826 L C 1.655 178.546 176.870 0.034 0.000 1.130 826 L CA 1.077 55.921 54.840 0.007 0.000 0.826 826 L CB -0.485 41.632 42.059 0.097 0.000 0.941 826 L HN 0.547 nan 8.230 nan 0.000 0.451 827 G N -1.172 107.654 108.800 0.042 0.000 3.259 827 G HA2 0.258 4.217 3.960 -0.000 0.000 0.178 827 G HA3 0.258 4.217 3.960 -0.000 0.000 0.178 827 G C -0.685 174.247 174.900 0.054 0.000 1.129 827 G CA -0.214 44.919 45.100 0.055 0.000 0.816 827 G HN -0.119 nan 8.290 nan 0.000 0.634 828 T N 1.702 116.305 114.554 0.080 0.000 2.888 828 T HA 0.464 4.814 4.350 -0.000 0.000 0.301 828 T C 0.770 175.561 174.700 0.151 0.000 1.001 828 T CA 0.398 62.557 62.100 0.099 0.000 1.147 828 T CB 0.897 69.826 68.868 0.103 0.000 0.931 828 T HN 0.861 nan 8.240 nan 0.000 0.541 829 A N 2.639 125.567 122.820 0.180 0.000 2.565 829 A HA 0.463 4.783 4.320 -0.000 0.000 0.237 829 A C 1.713 179.508 177.584 0.351 0.000 1.053 829 A CA 0.184 52.423 52.037 0.337 0.000 0.755 829 A CB -0.875 18.376 19.000 0.419 0.000 0.980 829 A HN 1.706 nan 8.150 nan 0.000 0.506 830 G N 1.642 110.685 108.800 0.406 0.000 2.186 830 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.266 830 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.266 830 G C 0.649 175.680 174.900 0.218 0.000 0.982 830 G CA 1.183 46.433 45.100 0.250 0.000 0.670 830 G HN 0.874 nan 8.290 nan 0.000 0.533 831 K N -0.584 119.963 120.400 0.244 0.000 2.517 831 K HA 0.306 4.625 4.320 -0.000 0.000 0.210 831 K C 0.697 177.493 176.600 0.327 0.000 1.166 831 K CA 0.678 57.119 56.287 0.256 0.000 1.030 831 K CB 0.983 33.589 32.500 0.178 0.000 0.974 831 K HN 0.560 nan 8.250 nan 0.000 0.585 832 S N -0.551 115.336 115.700 0.311 0.000 2.720 832 S HA 0.715 5.185 4.470 -0.000 0.000 0.287 832 S C -0.495 174.262 174.600 0.261 0.000 1.168 832 S CA -1.065 57.331 58.200 0.327 0.000 0.832 832 S CB 1.521 64.840 63.200 0.198 0.000 1.166 832 S HN 0.070 nan 8.310 nan 0.000 0.493 833 A N 0.424 123.398 122.820 0.257 0.000 2.483 833 A HA 0.479 4.798 4.320 -0.000 0.000 0.238 833 A C -0.081 177.502 177.584 -0.003 0.000 1.070 833 A CA 0.238 52.340 52.037 0.108 0.000 0.770 833 A CB -0.595 18.473 19.000 0.114 0.000 1.008 833 A HN 0.885 nan 8.150 nan 0.000 0.497 834 D N -0.563 119.798 120.400 -0.065 0.000 2.248 834 D HA 0.476 5.116 4.640 -0.000 0.000 0.246 834 D C 0.831 177.043 176.300 -0.146 0.000 1.027 834 D CA -0.655 53.274 54.000 -0.117 0.000 0.853 834 D CB 1.017 41.802 40.800 -0.025 0.000 1.243 834 D HN 0.503 nan 8.370 nan 0.000 0.462 835 R N 1.976 122.379 120.500 -0.162 0.000 2.437 835 R HA 0.308 4.647 4.340 -0.000 0.000 0.257 835 R C 1.378 177.697 176.300 0.032 0.000 0.927 835 R CA -0.121 55.915 56.100 -0.107 0.000 1.078 835 R CB 0.268 30.423 30.300 -0.242 0.000 1.161 835 R HN 0.396 nan 8.270 nan 0.000 0.529 836 G N 1.079 109.869 108.800 -0.017 0.000 2.408 836 G HA2 0.083 4.042 3.960 -0.000 0.000 0.217 836 G HA3 0.083 4.042 3.960 -0.000 0.000 0.217 836 G C 1.068 175.950 174.900 -0.030 0.000 1.150 836 G CA 0.789 45.898 45.100 0.015 0.000 0.776 836 G HN 0.606 nan 8.290 nan 0.000 0.542 837 G N -2.178 106.563 108.800 -0.098 0.000 2.147 837 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.128 837 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.128 837 G C 0.157 174.725 174.900 -0.552 0.000 1.026 837 G CA -0.179 44.767 45.100 -0.257 0.000 0.693 837 G HN 0.530 nan 8.290 nan 0.000 0.499 838 C N 2.265 121.383 119.300 -0.303 0.000 2.612 838 C HA 0.254 4.714 4.460 -0.000 0.000 0.403 838 C C 2.271 177.129 174.990 -0.220 0.000 1.056 838 C CA -0.525 58.327 59.018 -0.277 0.000 1.256 838 C CB -1.752 25.922 27.740 -0.110 0.000 1.741 838 C HN 0.464 nan 8.230 nan 0.000 0.542 839 I N 2.771 123.185 120.570 -0.260 0.000 2.335 839 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 839 I C 2.068 178.111 176.117 -0.123 0.000 1.129 839 I CA 1.499 62.712 61.300 -0.144 0.000 1.402 839 I CB -0.620 37.336 38.000 -0.073 0.000 1.069 839 I HN 0.609 nan 8.210 nan 0.000 0.424 840 N N 0.825 119.443 118.700 -0.136 0.000 2.635 840 N HA -0.062 4.678 4.740 -0.000 0.000 0.191 840 N C 1.731 177.175 175.510 -0.110 0.000 1.155 840 N CA 0.495 53.477 53.050 -0.113 0.000 0.927 840 N CB -0.078 38.332 38.487 -0.129 0.000 0.976 840 N HN 0.437 nan 8.380 nan 0.000 0.448 841 I N 0.038 120.536 120.570 -0.121 0.000 2.546 841 I HA -0.164 4.006 4.170 -0.000 0.000 0.255 841 I C 1.530 177.567 176.117 -0.134 0.000 1.163 841 I CA 0.787 62.014 61.300 -0.122 0.000 1.457 841 I CB 0.144 38.068 38.000 -0.127 0.000 1.092 841 I HN 0.086 nan 8.210 nan 0.000 0.434 842 L N -0.240 120.905 121.223 -0.130 0.000 2.477 842 L HA 0.066 4.406 4.340 -0.000 0.000 0.220 842 L C 1.149 177.961 176.870 -0.096 0.000 1.106 842 L CA -0.013 54.745 54.840 -0.136 0.000 0.851 842 L CB -0.692 41.279 42.059 -0.148 0.000 0.994 842 L HN 0.249 nan 8.230 nan 0.000 0.462 843 T N -1.015 113.498 114.554 -0.068 0.000 2.919 843 T HA 0.226 4.576 4.350 -0.000 0.000 0.302 843 T C -2.389 172.317 174.700 0.010 0.000 1.031 843 T CA -1.735 60.348 62.100 -0.028 0.000 1.127 843 T CB 0.669 69.523 68.868 -0.023 0.000 0.952 843 T HN -0.092 nan 8.240 nan 0.000 0.540 844 P HA 0.140 nan 4.420 nan 0.000 0.267 844 P C -0.049 177.325 177.300 0.123 0.000 1.205 844 P CA -0.126 63.066 63.100 0.153 0.000 0.765 844 P CB 0.662 32.596 31.700 0.391 0.000 0.828 845 D N 2.447 122.865 120.400 0.030 0.000 2.339 845 D HA -0.016 4.623 4.640 -0.000 0.000 0.217 845 D C 0.776 177.012 176.300 -0.107 0.000 1.050 845 D CA -0.008 53.969 54.000 -0.039 0.000 0.856 845 D CB -0.180 40.559 40.800 -0.101 0.000 0.922 845 D HN 0.331 nan 8.370 nan 0.000 0.518 846 R N 0.547 120.995 120.500 -0.086 0.000 2.491 846 R HA 0.069 4.409 4.340 -0.000 0.000 0.283 846 R C -0.442 175.840 176.300 -0.030 0.000 1.072 846 R CA -0.424 55.529 56.100 -0.245 0.000 1.048 846 R CB 0.218 30.157 30.300 -0.602 0.000 0.983 846 R HN 0.021 nan 8.270 nan 0.000 0.450 847 Y N 3.800 124.044 120.300 -0.093 0.000 2.683 847 Y HA -0.121 4.429 4.550 -0.000 0.000 0.340 847 Y C 1.937 177.897 175.900 0.100 0.000 1.245 847 Y CA -0.518 57.568 58.100 -0.024 0.000 1.485 847 Y CB 0.582 38.991 38.460 -0.085 0.000 1.328 847 Y HN 0.604 nan 8.280 nan 0.000 0.603 848 I N 1.165 121.941 120.570 0.343 0.000 2.236 848 I HA -0.302 3.868 4.170 -0.000 0.000 0.249 848 I C 1.060 177.420 176.117 0.406 0.000 1.102 848 I CA 1.661 63.205 61.300 0.407 0.000 1.365 848 I CB -0.349 37.748 38.000 0.162 0.000 1.051 848 I HN 0.543 nan 8.210 nan 0.000 0.420 849 S N -1.433 114.361 115.700 0.158 0.000 2.688 849 S HA 0.265 4.734 4.470 -0.000 0.000 0.275 849 S C 0.474 175.068 174.600 -0.011 0.000 1.175 849 S CA -0.864 57.410 58.200 0.123 0.000 0.818 849 S CB 1.775 65.088 63.200 0.190 0.000 1.157 849 S HN 0.055 nan 8.310 nan 0.000 0.482 850 K N -0.453 119.903 120.400 -0.073 0.000 2.063 850 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 850 K C 0.820 177.189 176.600 -0.384 0.000 1.048 850 K CA 2.037 58.148 56.287 -0.294 0.000 0.928 850 K CB -0.359 31.831 32.500 -0.517 0.000 0.713 850 K HN 0.717 nan 8.250 nan 0.000 0.442 851 Y N -1.098 119.269 120.300 0.111 0.000 2.442 851 Y HA 0.355 4.905 4.550 -0.000 0.000 0.250 851 Y C 0.424 176.249 175.900 -0.124 0.000 1.113 851 Y CA -0.236 57.923 58.100 0.098 0.000 1.273 851 Y CB 0.543 39.206 38.460 0.338 0.000 1.138 851 Y HN -0.026 nan 8.280 nan 0.000 0.522 852 A N 0.061 122.813 122.820 -0.112 0.000 2.805 852 A HA 0.283 4.602 4.320 -0.000 0.000 0.301 852 A C -0.039 176.837 177.584 -1.180 0.000 1.557 852 A CA -0.380 51.342 52.037 -0.526 0.000 1.254 852 A CB -1.307 17.622 19.000 -0.118 0.000 1.114 852 A HN 0.468 nan 8.150 nan 0.000 0.553 853 C N 2.884 121.067 119.300 -1.862 0.000 3.424 853 C HA 0.462 4.922 4.460 -0.000 0.000 0.577 853 C C 1.424 175.675 174.990 -1.232 0.000 1.086 853 C CA -0.078 57.735 59.018 -2.008 0.000 1.153 853 C CB -2.005 24.860 27.740 -1.458 0.000 1.411 853 C HN 0.851 nan 8.230 nan 0.000 0.636 854 G N 1.050 109.375 108.800 -0.792 0.000 2.685 854 G HA2 0.705 4.665 3.960 -0.000 0.000 0.298 854 G HA3 0.705 4.665 3.960 -0.000 0.000 0.298 854 G C -0.513 174.488 174.900 0.168 0.000 1.277 854 G CA -0.864 44.187 45.100 -0.082 0.000 0.986 854 G HN 0.528 nan 8.290 nan 0.000 0.487 855 M N 0.150 119.877 119.600 0.211 0.000 2.216 855 M HA 0.668 5.148 4.480 -0.000 0.000 0.356 855 M C 0.156 176.553 176.300 0.161 0.000 1.205 855 M CA -0.563 54.849 55.300 0.186 0.000 1.122 855 M CB 1.907 34.584 32.600 0.129 0.000 1.571 855 M HN 0.432 nan 8.290 nan 0.000 0.464 856 A N 3.046 125.971 122.820 0.174 0.000 2.827 856 A HA 0.278 4.598 4.320 -0.000 0.000 0.300 856 A C 0.516 178.111 177.584 0.019 0.000 1.237 856 A CA -0.647 51.439 52.037 0.082 0.000 0.964 856 A CB -0.820 18.232 19.000 0.088 0.000 1.143 856 A HN 1.022 nan 8.150 nan 0.000 0.554 857 N N 1.410 120.136 118.700 0.044 0.000 2.060 857 N HA -0.185 4.555 4.740 -0.000 0.000 0.195 857 N C 0.962 176.468 175.510 -0.008 0.000 1.028 857 N CA 1.717 54.779 53.050 0.020 0.000 0.861 857 N CB -0.228 38.273 38.487 0.024 0.000 1.029 857 N HN 0.463 nan 8.380 nan 0.000 0.428 858 N N 0.084 118.781 118.700 -0.006 0.000 2.567 858 N HA -0.025 4.715 4.740 -0.000 0.000 0.195 858 N C -0.430 175.064 175.510 -0.027 0.000 1.242 858 N CA 0.594 53.637 53.050 -0.010 0.000 0.884 858 N CB -0.196 38.294 38.487 0.005 0.000 1.007 858 N HN 0.383 nan 8.380 nan 0.000 0.450 859 T N -1.881 112.633 114.554 -0.067 0.000 3.009 859 T HA 0.732 5.082 4.350 -0.000 0.000 0.346 859 T C -0.542 174.104 174.700 -0.091 0.000 1.092 859 T CA -0.935 61.101 62.100 -0.106 0.000 1.080 859 T CB 1.559 70.306 68.868 -0.200 0.000 1.037 859 T HN 0.070 nan 8.240 nan 0.000 0.487 860 A N 4.209 126.994 122.820 -0.058 0.000 2.381 860 A HA 0.741 5.061 4.320 -0.000 0.000 0.299 860 A C -0.592 176.967 177.584 -0.041 0.000 1.049 860 A CA -0.897 51.116 52.037 -0.040 0.000 0.715 860 A CB 1.118 20.087 19.000 -0.051 0.000 1.222 860 A HN 0.874 nan 8.150 nan 0.000 0.428 861 L N 3.309 124.524 121.223 -0.014 0.000 2.276 861 L HA 0.666 5.006 4.340 -0.000 0.000 0.286 861 L C 0.224 177.049 176.870 -0.074 0.000 1.061 861 L CA -0.516 54.330 54.840 0.009 0.000 0.807 861 L CB 1.228 43.348 42.059 0.102 0.000 1.177 861 L HN 0.710 nan 8.230 nan 0.000 0.429 862 V N 0.299 120.160 119.914 -0.088 0.000 3.103 862 V HA 0.795 4.915 4.120 -0.000 0.000 0.311 862 V C -1.349 174.653 176.094 -0.154 0.000 1.322 862 V CA -0.716 61.435 62.300 -0.247 0.000 1.063 862 V CB 2.241 33.913 31.823 -0.251 0.000 1.090 862 V HN 0.679 nan 8.190 nan 0.000 0.462 863 E N 0.153 120.137 120.200 -0.360 0.000 2.356 863 E HA 0.776 5.126 4.350 -0.000 0.000 0.275 863 E C -1.218 175.171 176.600 -0.351 0.000 0.904 863 E CA -0.416 55.791 56.400 -0.320 0.000 0.757 863 E CB 1.952 31.426 29.700 -0.377 0.000 1.232 863 E HN 1.140 nan 8.360 nan 0.000 0.442 864 I N -0.285 120.222 120.570 -0.104 0.000 2.828 864 I HA 0.821 4.991 4.170 -0.000 0.000 0.302 864 I C -1.108 175.072 176.117 0.105 0.000 1.101 864 I CA -0.843 60.465 61.300 0.014 0.000 1.031 864 I CB 2.266 40.267 38.000 0.001 0.000 1.231 864 I HN 0.640 nan 8.210 nan 0.000 0.427 865 E N 2.732 123.024 120.200 0.154 0.000 2.407 865 E HA 0.405 4.755 4.350 -0.000 0.000 0.279 865 E C -1.724 174.967 176.600 0.152 0.000 1.012 865 E CA -1.261 55.232 56.400 0.156 0.000 0.800 865 E CB 1.555 31.381 29.700 0.209 0.000 1.276 865 E HN 0.542 nan 8.360 nan 0.000 0.452 866 K N 0.939 121.418 120.400 0.131 0.000 2.489 866 K HA -0.004 4.316 4.320 -0.000 0.000 0.278 866 K C -0.664 176.072 176.600 0.225 0.000 1.000 866 K CA -0.135 56.236 56.287 0.141 0.000 1.012 866 K CB 0.430 32.986 32.500 0.094 0.000 0.903 866 K HN 0.461 nan 8.250 nan 0.000 0.485 867 W N 5.477 126.792 121.300 0.025 0.000 2.303 867 W HA -0.009 4.651 4.660 -0.000 0.000 0.318 867 W C 0.812 177.368 176.519 0.062 0.000 1.362 867 W CA -0.660 56.715 57.345 0.050 0.000 1.234 867 W CB 0.313 29.787 29.460 0.023 0.000 1.248 867 W HN 0.698 nan 8.180 nan 0.000 0.546 868 D N 3.177 123.540 120.400 -0.062 0.000 2.355 868 D HA 0.038 4.678 4.640 -0.000 0.000 0.218 868 D C 1.472 177.406 176.300 -0.611 0.000 1.004 868 D CA 0.834 54.696 54.000 -0.231 0.000 0.880 868 D CB -0.116 40.657 40.800 -0.045 0.000 0.911 868 D HN 0.750 nan 8.370 nan 0.000 0.528 869 G N 0.758 108.665 108.800 -1.488 0.000 2.176 869 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.232 869 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.232 869 G C -0.106 174.458 174.900 -0.560 0.000 0.986 869 G CA 0.143 44.268 45.100 -1.624 0.000 0.643 869 G HN 0.573 nan 8.290 nan 0.000 0.522 870 D N 0.444 120.762 120.400 -0.136 0.000 2.357 870 D HA 0.475 5.115 4.640 -0.000 0.000 0.242 870 D C 1.800 178.302 176.300 0.338 0.000 1.153 870 D CA 0.271 54.241 54.000 -0.051 0.000 0.918 870 D CB 0.568 41.045 40.800 -0.537 0.000 1.181 870 D HN 0.403 nan 8.370 nan 0.000 0.435 871 K N 1.187 121.675 120.400 0.147 0.000 2.400 871 K HA -0.020 4.300 4.320 -0.000 0.000 0.194 871 K C -0.111 176.673 176.600 0.306 0.000 1.033 871 K CA -0.076 56.366 56.287 0.259 0.000 1.021 871 K CB -0.179 32.402 32.500 0.134 0.000 0.808 871 K HN 0.481 nan 8.250 nan 0.000 0.505 872 Y N 2.004 122.384 120.300 0.133 0.000 2.988 872 Y HA -0.227 4.323 4.550 -0.000 0.000 0.193 872 Y C -0.394 175.538 175.900 0.053 0.000 1.388 872 Y CA 0.687 58.835 58.100 0.079 0.000 0.904 872 Y CB -1.895 36.653 38.460 0.147 0.000 1.297 872 Y HN 0.419 nan 8.280 nan 0.000 0.432 873 E N 2.618 122.860 120.200 0.070 0.000 1.892 873 E HA 0.348 4.698 4.350 -0.000 0.000 0.271 873 E C 0.686 177.251 176.600 -0.059 0.000 1.146 873 E CA -0.007 56.429 56.400 0.060 0.000 1.096 873 E CB -0.275 29.453 29.700 0.048 0.000 1.155 873 E HN 0.607 nan 8.360 nan 0.000 0.458 874 I N -0.192 120.228 120.570 -0.250 0.000 3.597 874 I HA 0.309 4.479 4.170 -0.000 0.000 0.323 874 I C -1.055 174.712 176.117 -0.583 0.000 1.535 874 I CA -0.717 60.339 61.300 -0.407 0.000 1.028 874 I CB -0.031 37.699 38.000 -0.451 0.000 1.354 874 I HN 0.099 nan 8.210 nan 0.000 0.544 875 Y N 0.000 120.348 120.300 0.080 0.000 2.660 875 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 875 Y CA 0.000 58.142 58.100 0.070 0.000 1.940 875 Y CB 0.000 38.504 38.460 0.073 0.000 1.050 875 Y HN 0.000 nan 8.280 nan 0.000 0.758