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 3k5l_1_A DATA FIRST_RESID -2 DATA SEQUENCE GPHMAQAGFI LTRHWRDTPQ GTEVSFWLAT DNGPLQVTLA PQESVAFIPA DATA SEQUENCE DQVPRAQHIL QGEQGFRLTP LALKDFHRQP VYGLYCRAHR QLMNYEKRLR DATA SEQUENCE EGGVTVYEAD VRPPERYLME RFITSPVWVE GDMHNGTIVN ARLKPHPDYR DATA SEQUENCE PPLKWVSIDI ETTRHGELYC IGLEGCGQRI VYMLGPENGD ASSLDFELEY DATA SEQUENCE VASRPQLLEK LNAWFANYDP DVIIGWNVVQ FDLRMLQKHA ERYRLPLRLG DATA SEQUENCE RDNSELEWRE HGFKNGVFFA QAKGRLIIDG IEALKSAFWN FSSFSLETVA DATA SEQUENCE QELLGEGKSI DNPWDRMDEI DRRFAEDKPA LATYNLKNCE LVTQIFHKTE DATA SEQUENCE IMPFLLERAT VNGLPVDRHG GSVAAFGHLY FPRMHRAGYV APNLGEVPPH DATA SEQUENCE ASPGGYVMDS RPGLYDSVLV LDYKSLYPSI IRTFLIDPVG LVEGMAQPDP DATA SEQUENCE EHSTEGFLDA WFSREKHCLP EIVTNIWHGR DEAKRQGNKP LSQALKIIMN DATA SEQUENCE AFYGVLGTTA CRFFDPRLAS SITMRGHQIM RQTKALIEAQ GYDVIYGDTD DATA SEQUENCE STFVWLKGAH SEEEAAKIGR ALVQHVNAWW AETLQKQRLT SALELEYETH DATA SEQUENCE FCRFLMPTIR GADTGSKKRY AGLIQEGDKQ RMVFKGLETV RTDWTPLAQQ DATA SEQUENCE FQQELYLRIF RNEPYQEYVR ETIDKLMAGE LDARLVYRKR LRRPLSEYQR DATA SEQUENCE NVPPHVRAAR LADEENQKRG RPLQYQNRGT IKYVWTTNGP EPLDYQRSPL DATA SEQUENCE DYEHYLTRQL QPVAEGILPF IEDNFATLMT G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -2 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.640 3.960 -0.533 0.000 0.244 -2 G C 0.000 174.917 174.900 0.028 0.000 0.946 -2 G CA 0.000 45.115 45.100 0.025 0.000 0.502 -1 P HA -0.098 nan 4.420 nan 0.000 0.211 -1 P C 0.436 177.770 177.300 0.055 0.000 1.179 -1 P CA 1.108 64.234 63.100 0.044 0.000 0.910 -1 P CB 0.046 31.782 31.700 0.059 0.000 0.785 0 H N -0.250 118.831 119.070 0.018 0.000 2.640 0 H HA 0.430 4.666 4.556 -0.533 0.000 0.297 0 H C -0.107 175.232 175.328 0.018 0.000 1.073 0 H CA -0.671 55.389 56.048 0.019 0.000 1.305 0 H CB -0.279 29.500 29.762 0.028 0.000 1.404 0 H HN -0.080 nan 8.280 nan 0.000 0.459 1 M N 3.389 123.056 119.600 0.113 0.000 2.593 1 M HA 0.772 4.933 4.480 -0.533 0.000 0.290 1 M C -1.607 174.711 176.300 0.029 0.000 1.244 1 M CA -1.129 54.239 55.300 0.112 0.000 0.857 1 M CB 2.453 35.066 32.600 0.021 0.000 1.738 1 M HN 0.420 nan 8.290 nan 0.000 0.461 2 A N 1.580 124.412 122.820 0.021 0.000 2.386 2 A HA 0.929 4.930 4.320 -0.533 0.000 0.311 2 A C -1.243 176.011 177.584 -0.551 0.000 1.068 2 A CA -0.493 51.443 52.037 -0.168 0.000 0.743 2 A CB 1.513 20.664 19.000 0.251 0.000 1.258 2 A HN 0.951 nan 8.150 nan 0.000 0.429 3 Q N 0.362 119.476 119.800 -1.143 0.000 2.633 3 Q HA 0.719 4.739 4.340 -0.533 0.000 0.289 3 Q C -0.712 174.564 176.000 -1.206 0.000 0.940 3 Q CA -0.860 54.258 55.803 -1.141 0.000 0.785 3 Q CB 1.509 29.962 28.738 -0.474 0.000 1.467 3 Q HN 1.369 nan 8.270 nan 0.000 0.401 4 A N 0.118 122.484 122.820 -0.757 0.000 2.322 4 A HA 0.913 4.913 4.320 -0.533 0.000 0.269 4 A C 0.167 177.221 177.584 -0.883 0.000 1.094 4 A CA 0.431 52.037 52.037 -0.718 0.000 0.807 4 A CB 0.735 19.334 19.000 -0.668 0.000 1.047 4 A HN 0.997 nan 8.150 nan 0.000 0.487 5 G N -0.855 107.368 108.800 -0.961 0.000 2.559 5 G HA2 0.526 4.166 3.960 -0.533 0.000 0.291 5 G HA3 0.526 4.166 3.960 -0.533 0.000 0.291 5 G C -1.764 173.015 174.900 -0.201 0.000 1.424 5 G CA -0.487 44.273 45.100 -0.566 0.000 0.786 5 G HN 0.682 nan 8.290 nan 0.000 0.485 6 F N 0.103 120.049 119.950 -0.006 0.000 2.522 6 F HA 0.724 4.932 4.527 -0.533 0.000 0.324 6 F C 0.145 176.008 175.800 0.105 0.000 1.077 6 F CA -1.191 56.885 58.000 0.127 0.000 0.944 6 F CB 1.768 40.919 39.000 0.252 0.000 1.175 6 F HN 0.285 nan 8.300 nan 0.000 0.468 7 I N 6.900 127.377 120.570 -0.155 0.000 2.325 7 I HA 0.150 4.000 4.170 -0.533 0.000 0.291 7 I C 0.362 176.583 176.117 0.173 0.000 1.019 7 I CA -0.051 61.256 61.300 0.010 0.000 1.302 7 I CB 1.366 39.294 38.000 -0.120 0.000 1.401 7 I HN 0.712 nan 8.210 nan 0.000 0.485 8 L N 4.607 126.005 121.223 0.293 0.000 2.262 8 L HA 0.114 4.134 4.340 -0.533 0.000 0.197 8 L C 0.863 177.863 176.870 0.216 0.000 1.073 8 L CA 0.776 55.792 54.840 0.293 0.000 0.800 8 L CB 0.092 42.337 42.059 0.310 0.000 0.987 8 L HN 0.703 nan 8.230 nan 0.000 0.470 9 T N -1.672 113.033 114.554 0.252 0.000 2.903 9 T HA 0.615 4.645 4.350 -0.533 0.000 0.299 9 T C -0.603 174.046 174.700 -0.086 0.000 1.093 9 T CA -0.860 61.288 62.100 0.080 0.000 1.002 9 T CB 2.538 71.475 68.868 0.115 0.000 1.127 9 T HN -0.001 nan 8.240 nan 0.000 0.488 10 R N 0.821 121.100 120.500 -0.369 0.000 2.637 10 R HA 0.749 4.769 4.340 -0.533 0.000 0.291 10 R C -1.031 174.786 176.300 -0.806 0.000 0.963 10 R CA -0.880 54.963 56.100 -0.427 0.000 0.901 10 R CB 1.435 31.716 30.300 -0.032 0.000 1.160 10 R HN 0.781 nan 8.270 nan 0.000 0.457 11 H N 0.915 119.858 119.070 -0.211 0.000 3.012 11 H HA 0.513 4.749 4.556 -0.533 0.000 0.367 11 H C -1.146 174.140 175.328 -0.070 0.000 1.211 11 H CA -0.869 55.105 56.048 -0.123 0.000 1.139 11 H CB 1.865 31.563 29.762 -0.106 0.000 1.838 11 H HN 0.640 nan 8.280 nan 0.000 0.550 12 W N 1.249 122.516 121.300 -0.054 0.000 3.167 12 W HA 0.711 5.051 4.660 -0.532 0.000 0.324 12 W C -1.683 174.802 176.519 -0.057 0.000 1.230 12 W CA -1.047 56.236 57.345 -0.103 0.000 1.184 12 W CB 2.040 31.409 29.460 -0.152 0.000 1.414 12 W HN 0.832 nan 8.180 nan 0.000 0.551 13 R N 1.238 121.804 120.500 0.110 0.000 2.629 13 R HA 0.319 4.339 4.340 -0.533 0.000 0.266 13 R C -1.778 174.605 176.300 0.137 0.000 1.051 13 R CA -0.630 55.433 56.100 -0.062 0.000 0.895 13 R CB 1.934 32.146 30.300 -0.147 0.000 1.246 13 R HN 0.325 nan 8.270 nan 0.000 0.459 14 D N 2.189 122.664 120.400 0.124 0.000 2.210 14 D HA 0.398 4.718 4.640 -0.533 0.000 0.249 14 D C -0.166 176.170 176.300 0.061 0.000 1.078 14 D CA 0.451 54.538 54.000 0.144 0.000 0.875 14 D CB 2.124 43.033 40.800 0.182 0.000 1.175 14 D HN 0.682 nan 8.370 nan 0.000 0.440 15 T N -1.803 112.783 114.554 0.054 0.000 2.754 15 T HA 0.441 4.471 4.350 -0.533 0.000 0.296 15 T C -2.242 172.475 174.700 0.028 0.000 1.205 15 T CA -1.054 61.062 62.100 0.027 0.000 1.009 15 T CB 1.792 70.667 68.868 0.013 0.000 1.368 15 T HN -0.047 nan 8.240 nan 0.000 0.509 16 P HA 0.049 nan 4.420 nan 0.000 0.220 16 P C 1.216 178.525 177.300 0.015 0.000 1.152 16 P CA 0.957 64.068 63.100 0.017 0.000 0.812 16 P CB 0.109 31.816 31.700 0.011 0.000 0.792 17 Q N -0.149 119.657 119.800 0.010 0.000 2.119 17 Q HA 0.221 4.241 4.340 -0.533 0.000 0.201 17 Q C 1.317 177.324 176.000 0.012 0.000 0.972 17 Q CA 1.374 57.180 55.803 0.005 0.000 0.847 17 Q CB -0.478 28.258 28.738 -0.004 0.000 0.903 17 Q HN 0.337 nan 8.270 nan 0.000 0.433 18 G N -2.025 106.788 108.800 0.021 0.000 2.356 18 G HA2 0.087 3.727 3.960 -0.533 0.000 0.288 18 G HA3 0.087 3.727 3.960 -0.533 0.000 0.288 18 G C -1.237 173.692 174.900 0.048 0.000 1.302 18 G CA -0.704 44.415 45.100 0.032 0.000 0.887 18 G HN -0.161 nan 8.290 nan 0.000 0.521 19 T N 1.251 115.843 114.554 0.063 0.000 2.771 19 T HA 0.468 4.498 4.350 -0.533 0.000 0.291 19 T C 0.075 174.815 174.700 0.066 0.000 0.954 19 T CA -0.060 62.101 62.100 0.102 0.000 1.045 19 T CB 1.320 70.267 68.868 0.132 0.000 0.917 19 T HN 0.558 nan 8.240 nan 0.000 0.484 20 E N 3.896 124.134 120.200 0.063 0.000 2.130 20 E HA 0.323 4.353 4.350 -0.533 0.000 0.284 20 E C -1.137 175.465 176.600 0.005 0.000 1.018 20 E CA -0.515 55.891 56.400 0.010 0.000 0.817 20 E CB 0.728 30.420 29.700 -0.012 0.000 1.078 20 E HN 0.275 nan 8.360 nan 0.000 0.396 21 V N 4.399 124.278 119.914 -0.058 0.000 2.398 21 V HA 0.315 4.115 4.120 -0.533 0.000 0.286 21 V C 0.081 176.016 176.094 -0.265 0.000 1.026 21 V CA -0.346 61.867 62.300 -0.145 0.000 0.868 21 V CB 1.295 33.031 31.823 -0.145 0.000 0.982 21 V HN 0.760 nan 8.190 nan 0.000 0.443 22 S N 4.857 120.321 115.700 -0.393 0.000 2.632 22 S HA 0.902 5.052 4.470 -0.533 0.000 0.289 22 S C -1.263 172.952 174.600 -0.642 0.000 1.115 22 S CA -0.605 57.385 58.200 -0.350 0.000 0.889 22 S CB 2.171 65.271 63.200 -0.166 0.000 1.116 22 S HN 0.296 nan 8.310 nan 0.000 0.486 23 F N -0.716 119.230 119.950 -0.006 0.000 2.626 23 F HA 0.615 4.822 4.527 -0.534 0.000 0.311 23 F C -1.310 174.486 175.800 -0.007 0.000 1.088 23 F CA -0.744 57.289 58.000 0.054 0.000 0.949 23 F CB 1.570 40.569 39.000 -0.002 0.000 1.322 23 F HN 0.658 nan 8.300 nan 0.000 0.461 24 W N 3.100 124.596 121.300 0.326 0.000 2.471 24 W HA 0.718 5.058 4.660 -0.534 0.000 0.318 24 W C -1.472 175.165 176.519 0.197 0.000 1.034 24 W CA -0.480 57.005 57.345 0.234 0.000 1.224 24 W CB 1.522 31.128 29.460 0.244 0.000 1.335 24 W HN 0.087 nan 8.180 nan 0.000 0.452 25 L N 3.548 124.982 121.223 0.353 0.000 2.329 25 L HA 0.700 4.720 4.340 -0.533 0.000 0.279 25 L C 0.261 177.298 176.870 0.278 0.000 1.014 25 L CA -0.869 54.121 54.840 0.250 0.000 0.814 25 L CB 1.606 43.717 42.059 0.087 0.000 1.257 25 L HN 0.473 nan 8.230 nan 0.000 0.424 26 A N 1.671 124.670 122.820 0.299 0.000 2.260 26 A HA 0.702 4.702 4.320 -0.533 0.000 0.308 26 A C 0.153 177.890 177.584 0.255 0.000 1.254 26 A CA -0.155 52.051 52.037 0.282 0.000 0.874 26 A CB 0.217 19.400 19.000 0.305 0.000 1.153 26 A HN 0.747 nan 8.150 nan 0.000 0.527 27 T N -1.171 113.500 114.554 0.195 0.000 2.905 27 T HA 0.431 4.461 4.350 -0.533 0.000 0.283 27 T C 0.131 174.953 174.700 0.202 0.000 1.031 27 T CA -0.438 61.767 62.100 0.175 0.000 1.002 27 T CB 1.164 70.067 68.868 0.058 0.000 1.200 27 T HN 0.323 nan 8.240 nan 0.000 0.560 28 D N 0.093 120.622 120.400 0.214 0.000 2.219 28 D HA -0.022 4.298 4.640 -0.533 0.000 0.205 28 D C 1.337 177.695 176.300 0.096 0.000 0.970 28 D CA 1.100 55.194 54.000 0.156 0.000 0.851 28 D CB -0.179 40.717 40.800 0.161 0.000 0.943 28 D HN 0.629 nan 8.370 nan 0.000 0.488 29 N N -0.446 118.303 118.700 0.083 0.000 2.270 29 N HA 0.284 4.704 4.740 -0.533 0.000 0.198 29 N C 0.623 176.172 175.510 0.065 0.000 1.117 29 N CA 0.089 53.175 53.050 0.059 0.000 0.845 29 N CB 1.096 39.607 38.487 0.040 0.000 0.980 29 N HN 0.090 nan 8.380 nan 0.000 0.486 30 G N 0.854 109.706 108.800 0.088 0.000 2.422 30 G HA2 -0.152 3.488 3.960 -0.533 0.000 0.607 30 G HA3 -0.152 3.488 3.960 -0.533 0.000 0.607 30 G C -3.059 171.924 174.900 0.138 0.000 1.270 30 G CA -1.233 43.928 45.100 0.101 0.000 0.992 30 G HN -0.146 nan 8.290 nan 0.000 0.499 31 P HA 0.542 nan 4.420 nan 0.000 0.268 31 P C -0.351 177.116 177.300 0.278 0.000 1.204 31 P CA -0.025 63.245 63.100 0.282 0.000 0.768 31 P CB 1.144 33.039 31.700 0.325 0.000 0.842 32 L N 2.113 123.487 121.223 0.252 0.000 2.393 32 L HA 0.529 4.549 4.340 -0.533 0.000 0.260 32 L C -1.033 175.710 176.870 -0.213 0.000 1.002 32 L CA -0.636 54.228 54.840 0.041 0.000 0.818 32 L CB 2.378 44.428 42.059 -0.016 0.000 1.369 32 L HN 0.256 nan 8.230 nan 0.000 0.412 33 Q N 2.411 121.892 119.800 -0.532 0.000 2.333 33 Q HA 0.711 4.731 4.340 -0.533 0.000 0.267 33 Q C -2.049 173.685 176.000 -0.443 0.000 1.012 33 Q CA -0.728 54.518 55.803 -0.928 0.000 0.824 33 Q CB 2.104 29.966 28.738 -1.460 0.000 1.290 33 Q HN 0.600 nan 8.270 nan 0.000 0.449 34 V N 2.832 122.566 119.914 -0.302 0.000 2.604 34 V HA 0.533 4.333 4.120 -0.533 0.000 0.305 34 V C -0.460 175.573 176.094 -0.102 0.000 1.043 34 V CA -0.534 61.678 62.300 -0.147 0.000 0.888 34 V CB 2.124 33.914 31.823 -0.056 0.000 0.995 34 V HN 0.837 nan 8.190 nan 0.000 0.429 35 T N 5.639 120.130 114.554 -0.104 0.000 2.841 35 T HA 0.646 4.676 4.350 -0.533 0.000 0.285 35 T C -0.183 174.467 174.700 -0.083 0.000 0.991 35 T CA -0.316 61.724 62.100 -0.100 0.000 0.966 35 T CB 1.069 69.865 68.868 -0.120 0.000 0.962 35 T HN 0.381 nan 8.240 nan 0.000 0.438 36 L N 1.787 122.953 121.223 -0.095 0.000 2.543 36 L HA 0.752 4.773 4.340 -0.533 0.000 0.231 36 L C 1.159 177.981 176.870 -0.080 0.000 1.194 36 L CA -1.134 53.637 54.840 -0.114 0.000 0.823 36 L CB 0.104 42.012 42.059 -0.252 0.000 1.374 36 L HN 0.630 nan 8.230 nan 0.000 0.507 37 A N -0.068 122.721 122.820 -0.051 0.000 2.280 37 A HA 0.535 4.535 4.320 -0.533 0.000 0.268 37 A C -2.354 175.216 177.584 -0.023 0.000 1.111 37 A CA -1.209 50.812 52.037 -0.027 0.000 0.814 37 A CB -0.653 18.347 19.000 0.001 0.000 1.093 37 A HN 0.474 nan 8.150 nan 0.000 0.498 38 P HA 0.237 nan 4.420 nan 0.000 0.276 38 P C -1.010 176.303 177.300 0.023 0.000 1.230 38 P CA -0.006 63.097 63.100 0.005 0.000 0.776 38 P CB 0.604 32.309 31.700 0.009 0.000 0.888 39 Q N 1.600 121.419 119.800 0.031 0.000 2.257 39 Q HA 0.376 4.396 4.340 -0.533 0.000 0.262 39 Q C -0.094 175.939 176.000 0.055 0.000 0.997 39 Q CA -0.628 55.209 55.803 0.055 0.000 0.873 39 Q CB 1.786 30.567 28.738 0.071 0.000 1.312 39 Q HN 0.479 nan 8.270 nan 0.000 0.450 40 E N 0.496 120.739 120.200 0.073 0.000 2.283 40 E HA 0.333 4.363 4.350 -0.533 0.000 0.271 40 E C -0.660 175.989 176.600 0.082 0.000 1.031 40 E CA -0.347 56.106 56.400 0.088 0.000 0.868 40 E CB 1.254 31.036 29.700 0.137 0.000 1.094 40 E HN 0.302 nan 8.360 nan 0.000 0.401 41 S N 1.305 117.034 115.700 0.047 0.000 2.475 41 S HA 0.268 4.418 4.470 -0.533 0.000 0.281 41 S C -0.746 173.820 174.600 -0.057 0.000 1.198 41 S CA -0.599 57.604 58.200 0.005 0.000 1.063 41 S CB 1.042 64.243 63.200 0.001 0.000 0.972 41 S HN 0.328 nan 8.310 nan 0.000 0.486 42 V N 3.474 123.318 119.914 -0.117 0.000 2.581 42 V HA 0.977 4.777 4.120 -0.533 0.000 0.303 42 V C -0.306 175.499 176.094 -0.482 0.000 1.041 42 V CA -0.388 61.695 62.300 -0.362 0.000 0.907 42 V CB 1.384 32.989 31.823 -0.364 0.000 0.994 42 V HN 0.969 nan 8.190 nan 0.000 0.442 43 A N 5.045 127.449 122.820 -0.693 0.000 2.532 43 A HA 0.971 4.971 4.320 -0.533 0.000 0.290 43 A C -1.590 175.469 177.584 -0.875 0.000 1.143 43 A CA -0.630 51.057 52.037 -0.582 0.000 0.728 43 A CB 1.695 20.554 19.000 -0.236 0.000 1.317 43 A HN 0.861 nan 8.150 nan 0.000 0.414 44 F N -0.240 119.759 119.950 0.081 0.000 2.540 44 F HA 0.728 4.937 4.527 -0.530 0.000 0.317 44 F C -0.123 175.786 175.800 0.182 0.000 1.104 44 F CA -0.446 57.643 58.000 0.149 0.000 0.913 44 F CB 1.983 41.118 39.000 0.225 0.000 1.170 44 F HN 0.337 nan 8.300 nan 0.000 0.450 45 I N 3.258 124.033 120.570 0.342 0.000 2.608 45 I HA 0.418 4.268 4.170 -0.533 0.000 0.295 45 I C -2.586 173.688 176.117 0.262 0.000 1.049 45 I CA -2.483 58.938 61.300 0.200 0.000 1.063 45 I CB 2.947 41.002 38.000 0.092 0.000 1.248 45 I HN 0.266 nan 8.210 nan 0.000 0.424 46 P HA 0.066 nan 4.420 nan 0.000 0.268 46 P C 0.179 177.533 177.300 0.090 0.000 1.205 46 P CA 0.036 63.252 63.100 0.194 0.000 0.771 46 P CB 0.955 32.741 31.700 0.144 0.000 0.858 47 A N 3.802 126.698 122.820 0.128 0.000 1.978 47 A HA -0.210 3.790 4.320 -0.533 0.000 0.220 47 A C 1.604 179.124 177.584 -0.108 0.000 1.170 47 A CA 2.029 54.067 52.037 0.002 0.000 0.636 47 A CB -1.122 17.990 19.000 0.187 0.000 0.810 47 A HN 0.671 nan 8.150 nan 0.000 0.448 48 D N -0.673 119.710 120.400 -0.030 0.000 2.363 48 D HA -0.115 4.205 4.640 -0.533 0.000 0.220 48 D C 1.149 177.411 176.300 -0.063 0.000 0.994 48 D CA 0.756 54.731 54.000 -0.041 0.000 0.890 48 D CB -0.370 40.425 40.800 -0.008 0.000 0.906 48 D HN 0.685 nan 8.370 nan 0.000 0.530 49 Q N 0.330 120.084 119.800 -0.076 0.000 2.219 49 Q HA 0.165 4.185 4.340 -0.533 0.000 0.209 49 Q C 1.887 177.824 176.000 -0.105 0.000 0.854 49 Q CA -0.158 55.600 55.803 -0.076 0.000 0.960 49 Q CB 1.193 29.895 28.738 -0.060 0.000 1.116 49 Q HN 0.082 nan 8.270 nan 0.000 0.500 50 V N 1.826 121.631 119.914 -0.181 0.000 2.358 50 V HA -0.152 3.649 4.120 -0.533 0.000 0.246 50 V C -0.714 175.307 176.094 -0.122 0.000 1.047 50 V CA 1.748 63.908 62.300 -0.233 0.000 1.035 50 V CB -1.012 30.460 31.823 -0.585 0.000 0.658 50 V HN 0.231 nan 8.190 nan 0.000 0.452 51 P HA -0.165 nan 4.420 nan 0.000 0.217 51 P C 1.682 178.976 177.300 -0.010 0.000 1.150 51 P CA 1.327 64.404 63.100 -0.037 0.000 0.832 51 P CB -0.036 31.641 31.700 -0.038 0.000 0.787 52 R N 0.452 120.932 120.500 -0.032 0.000 2.075 52 R HA 0.015 4.035 4.340 -0.533 0.000 0.232 52 R C 2.017 178.311 176.300 -0.010 0.000 1.126 52 R CA 1.803 57.892 56.100 -0.019 0.000 0.963 52 R CB -1.458 28.816 30.300 -0.043 0.000 0.858 52 R HN 0.016 nan 8.270 nan 0.000 0.435 53 A N 0.080 122.875 122.820 -0.040 0.000 2.015 53 A HA -0.148 3.852 4.320 -0.533 0.000 0.219 53 A C 2.005 179.556 177.584 -0.056 0.000 1.163 53 A CA 1.458 53.457 52.037 -0.062 0.000 0.646 53 A CB -0.468 18.497 19.000 -0.058 0.000 0.806 53 A HN 0.572 nan 8.150 nan 0.000 0.448 54 Q N -1.800 118.005 119.800 0.009 0.000 2.360 54 Q HA -0.048 3.972 4.340 -0.533 0.000 0.202 54 Q C 1.484 177.501 176.000 0.030 0.000 0.915 54 Q CA 0.388 56.217 55.803 0.044 0.000 0.943 54 Q CB -0.029 28.790 28.738 0.133 0.000 1.064 54 Q HN 0.876 nan 8.270 nan 0.000 0.511 55 H N 0.260 119.300 119.070 -0.049 0.000 2.372 55 H HA 0.008 4.244 4.556 -0.533 0.000 0.301 55 H C 1.699 176.978 175.328 -0.081 0.000 1.065 55 H CA 1.702 57.722 56.048 -0.047 0.000 1.364 55 H CB 0.053 29.787 29.762 -0.047 0.000 1.406 55 H HN 0.222 nan 8.280 nan 0.000 0.521 56 I N 0.193 120.728 120.570 -0.059 0.000 2.264 56 I HA -0.256 3.595 4.170 -0.533 0.000 0.248 56 I C 1.383 177.321 176.117 -0.298 0.000 1.111 56 I CA 1.292 62.492 61.300 -0.167 0.000 1.382 56 I CB -0.151 37.750 38.000 -0.166 0.000 1.060 56 I HN 0.291 nan 8.210 nan 0.000 0.418 57 L N 0.494 121.511 121.223 -0.343 0.000 2.640 57 L HA 0.091 4.111 4.340 -0.533 0.000 0.230 57 L C 0.814 177.562 176.870 -0.202 0.000 1.123 57 L CA -0.290 54.256 54.840 -0.489 0.000 0.900 57 L CB -0.384 41.071 42.059 -1.007 0.000 1.146 57 L HN 0.307 nan 8.230 nan 0.000 0.484 58 Q N 0.888 120.606 119.800 -0.137 0.000 2.269 58 Q HA 0.231 4.251 4.340 -0.533 0.000 0.300 58 Q C 0.994 176.969 176.000 -0.042 0.000 1.070 58 Q CA 0.872 56.644 55.803 -0.052 0.000 0.957 58 Q CB 0.336 28.985 28.738 -0.149 0.000 1.131 58 Q HN 0.289 nan 8.270 nan 0.000 0.377 59 G N 1.602 110.429 108.800 0.045 0.000 2.175 59 G HA2 -0.209 3.431 3.960 -0.533 0.000 0.244 59 G HA3 -0.209 3.431 3.960 -0.533 0.000 0.244 59 G C -0.353 174.590 174.900 0.071 0.000 0.982 59 G CA 0.012 45.134 45.100 0.036 0.000 0.641 59 G HN 0.631 nan 8.290 nan 0.000 0.527 60 E N 0.368 120.645 120.200 0.127 0.000 2.216 60 E HA 0.541 4.571 4.350 -0.533 0.000 0.279 60 E C 0.142 176.951 176.600 0.348 0.000 0.997 60 E CA -0.414 56.092 56.400 0.177 0.000 0.817 60 E CB 1.825 31.563 29.700 0.065 0.000 1.096 60 E HN 0.466 nan 8.360 nan 0.000 0.393 61 Q N -0.536 119.418 119.800 0.257 0.000 2.204 61 Q HA 0.501 4.521 4.340 -0.533 0.000 0.254 61 Q C 0.470 176.624 176.000 0.257 0.000 0.981 61 Q CA 0.298 56.231 55.803 0.216 0.000 0.897 61 Q CB 1.433 30.239 28.738 0.114 0.000 1.273 61 Q HN 0.721 nan 8.270 nan 0.000 0.464 62 G N 1.022 109.923 108.800 0.169 0.000 2.136 62 G HA2 -0.254 3.386 3.960 -0.533 0.000 0.242 62 G HA3 -0.254 3.386 3.960 -0.533 0.000 0.242 62 G C -0.476 174.563 174.900 0.232 0.000 0.989 62 G CA 0.536 45.725 45.100 0.149 0.000 0.682 62 G HN 0.637 nan 8.290 nan 0.000 0.522 63 F N -1.444 118.572 119.950 0.111 0.000 2.650 63 F HA 0.929 5.136 4.527 -0.534 0.000 0.320 63 F C -0.467 175.424 175.800 0.152 0.000 1.091 63 F CA -2.004 56.086 58.000 0.150 0.000 0.962 63 F CB 1.422 40.592 39.000 0.283 0.000 1.363 63 F HN 0.107 nan 8.300 nan 0.000 0.482 64 R N 2.043 122.542 120.500 -0.002 0.000 2.626 64 R HA 0.641 4.661 4.340 -0.533 0.000 0.274 64 R C -2.175 174.278 176.300 0.255 0.000 1.031 64 R CA -0.859 55.181 56.100 -0.099 0.000 0.898 64 R CB 2.429 32.759 30.300 0.050 0.000 1.222 64 R HN 0.867 nan 8.270 nan 0.000 0.455 65 L N 2.181 123.531 121.223 0.211 0.000 2.343 65 L HA 0.515 4.535 4.340 -0.533 0.000 0.278 65 L C -0.819 176.255 176.870 0.341 0.000 0.996 65 L CA -0.285 54.771 54.840 0.360 0.000 0.831 65 L CB 2.328 44.630 42.059 0.404 0.000 1.232 65 L HN 0.602 nan 8.230 nan 0.000 0.413 66 T N 4.324 119.062 114.554 0.308 0.000 2.886 66 T HA 0.463 4.493 4.350 -0.533 0.000 0.292 66 T C -2.712 171.772 174.700 -0.361 0.000 1.012 66 T CA -1.254 60.890 62.100 0.074 0.000 0.982 66 T CB 2.324 71.302 68.868 0.183 0.000 1.018 66 T HN 0.244 nan 8.240 nan 0.000 0.451 67 P HA 0.382 nan 4.420 nan 0.000 0.276 67 P C -0.949 176.159 177.300 -0.319 0.000 1.230 67 P CA -0.295 62.242 63.100 -0.939 0.000 0.776 67 P CB 0.738 32.052 31.700 -0.643 0.000 0.888 68 L N 1.587 122.693 121.223 -0.195 0.000 2.323 68 L HA 0.642 4.662 4.340 -0.533 0.000 0.265 68 L C 0.623 177.471 176.870 -0.038 0.000 1.012 68 L CA -1.340 53.478 54.840 -0.036 0.000 0.820 68 L CB 1.976 44.083 42.059 0.081 0.000 1.334 68 L HN 0.229 nan 8.230 nan 0.000 0.427 69 A N 3.188 125.988 122.820 -0.032 0.000 3.056 69 A HA 0.661 4.661 4.320 -0.533 0.000 0.274 69 A C -0.448 177.092 177.584 -0.073 0.000 1.661 69 A CA 0.030 52.038 52.037 -0.048 0.000 1.363 69 A CB -0.710 18.263 19.000 -0.046 0.000 1.139 69 A HN 0.528 nan 8.150 nan 0.000 0.598 70 L N -0.149 121.029 121.223 -0.074 0.000 2.479 70 L HA 0.573 4.593 4.340 -0.533 0.000 0.255 70 L C -0.389 176.409 176.870 -0.120 0.000 1.026 70 L CA -0.787 53.973 54.840 -0.134 0.000 0.842 70 L CB 2.541 44.514 42.059 -0.143 0.000 1.444 70 L HN 0.337 nan 8.230 nan 0.000 0.409 71 K N 0.415 120.690 120.400 -0.208 0.000 2.435 71 K HA 0.373 4.373 4.320 -0.533 0.000 0.251 71 K C -1.408 175.220 176.600 0.047 0.000 0.954 71 K CA -0.890 55.332 56.287 -0.109 0.000 0.820 71 K CB 2.236 34.584 32.500 -0.253 0.000 1.292 71 K HN 0.667 nan 8.250 nan 0.000 0.436 72 D N 0.393 120.879 120.400 0.142 0.000 2.478 72 D HA 0.046 4.366 4.640 -0.533 0.000 0.269 72 D C 0.389 176.928 176.300 0.398 0.000 1.232 72 D CA -0.299 53.760 54.000 0.099 0.000 1.059 72 D CB 0.423 41.272 40.800 0.082 0.000 1.104 72 D HN 0.290 nan 8.370 nan 0.000 0.566 73 F N -0.810 119.155 119.950 0.025 0.000 2.816 73 F HA 0.046 4.255 4.527 -0.530 0.000 0.302 73 F C 1.276 177.077 175.800 0.003 0.000 1.178 73 F CA 0.233 58.251 58.000 0.030 0.000 1.421 73 F CB -0.600 38.366 39.000 -0.057 0.000 1.114 73 F HN 0.363 nan 8.300 nan 0.000 0.573 74 H N -0.947 118.239 119.070 0.193 0.000 2.755 74 H HA 0.320 4.563 4.556 -0.522 0.000 0.273 74 H C 0.574 175.966 175.328 0.108 0.000 1.055 74 H CA -0.069 56.055 56.048 0.128 0.000 1.191 74 H CB 0.278 30.124 29.762 0.139 0.000 1.536 74 H HN -0.022 nan 8.280 nan 0.000 0.529 75 R N -0.401 120.244 120.500 0.242 0.000 3.739 75 R HA -0.167 3.853 4.340 -0.533 0.000 0.338 75 R C -0.378 175.995 176.300 0.121 0.000 1.151 75 R CA 0.212 56.410 56.100 0.164 0.000 0.873 75 R CB -1.861 28.502 30.300 0.105 0.000 1.455 75 R HN 0.251 nan 8.270 nan 0.000 0.502 76 Q N 1.161 121.058 119.800 0.162 0.000 2.271 76 Q HA 0.403 4.423 4.340 -0.533 0.000 0.258 76 Q C -2.529 173.548 176.000 0.128 0.000 0.936 76 Q CA -2.380 53.505 55.803 0.137 0.000 0.909 76 Q CB 1.340 30.174 28.738 0.159 0.000 1.253 76 Q HN -0.173 nan 8.270 nan 0.000 0.440 77 P HA -0.053 nan 4.420 nan 0.000 0.265 77 P C -1.052 176.375 177.300 0.211 0.000 1.193 77 P CA 0.050 63.226 63.100 0.125 0.000 0.765 77 P CB 0.528 32.306 31.700 0.131 0.000 0.823 78 V N 1.714 121.760 119.914 0.219 0.000 3.177 78 V HA 0.602 4.402 4.120 -0.533 0.000 0.319 78 V C -0.913 175.439 176.094 0.430 0.000 1.125 78 V CA -0.686 61.816 62.300 0.337 0.000 1.029 78 V CB 1.452 33.471 31.823 0.326 0.000 1.119 78 V HN 0.284 nan 8.190 nan 0.000 0.452 79 Y N -0.556 119.881 120.300 0.228 0.000 2.602 79 Y HA 0.823 5.052 4.550 -0.534 0.000 0.342 79 Y C 0.653 176.676 175.900 0.205 0.000 1.029 79 Y CA -0.169 58.047 58.100 0.194 0.000 1.080 79 Y CB 2.335 40.879 38.460 0.139 0.000 1.284 79 Y HN 1.056 nan 8.280 nan 0.000 0.485 80 G N 1.621 110.532 108.800 0.185 0.000 2.356 80 G HA2 0.512 4.152 3.960 -0.533 0.000 0.322 80 G HA3 0.512 4.152 3.960 -0.533 0.000 0.322 80 G C -2.077 172.650 174.900 -0.287 0.000 1.125 80 G CA -0.478 44.523 45.100 -0.165 0.000 0.885 80 G HN 0.446 nan 8.290 nan 0.000 0.467 81 L N 2.370 123.265 121.223 -0.546 0.000 2.319 81 L HA 0.652 4.673 4.340 -0.533 0.000 0.281 81 L C -1.565 174.998 176.870 -0.512 0.000 1.005 81 L CA -1.338 53.353 54.840 -0.249 0.000 0.828 81 L CB 0.680 42.695 42.059 -0.072 0.000 1.227 81 L HN 0.480 nan 8.230 nan 0.000 0.415 82 Y N 3.851 124.197 120.300 0.078 0.000 2.335 82 Y HA 0.607 4.838 4.550 -0.533 0.000 0.338 82 Y C 0.106 176.049 175.900 0.072 0.000 0.977 82 Y CA -0.457 57.658 58.100 0.026 0.000 1.114 82 Y CB 1.639 40.102 38.460 0.005 0.000 1.182 82 Y HN 0.521 nan 8.280 nan 0.000 0.463 83 C N 3.537 122.909 119.300 0.120 0.000 2.507 83 C HA 0.407 4.547 4.460 -0.533 0.000 0.319 83 C C 1.490 176.504 174.990 0.040 0.000 1.208 83 C CA -0.996 58.046 59.018 0.040 0.000 1.619 83 C CB 1.860 29.509 27.740 -0.152 0.000 2.230 83 C HN 0.908 nan 8.230 nan 0.000 0.492 84 R N 1.302 121.824 120.500 0.036 0.000 2.090 84 R HA 0.055 4.075 4.340 -0.533 0.000 0.228 84 R C 0.713 177.030 176.300 0.029 0.000 1.110 84 R CA 0.837 56.959 56.100 0.037 0.000 0.973 84 R CB -0.399 29.924 30.300 0.038 0.000 0.869 84 R HN 0.797 nan 8.270 nan 0.000 0.440 85 A N -0.416 122.403 122.820 -0.003 0.000 2.340 85 A HA 0.329 4.329 4.320 -0.533 0.000 0.331 85 A C 0.320 177.901 177.584 -0.005 0.000 1.140 85 A CA -0.535 51.519 52.037 0.028 0.000 0.801 85 A CB 1.218 20.231 19.000 0.022 0.000 1.234 85 A HN 0.298 nan 8.150 nan 0.000 0.469 86 H N 0.957 120.000 119.070 -0.044 0.000 2.428 86 H HA -0.004 4.232 4.556 -0.534 0.000 0.296 86 H C 1.906 177.189 175.328 -0.075 0.000 1.062 86 H CA 2.037 57.999 56.048 -0.144 0.000 1.350 86 H CB 0.166 29.700 29.762 -0.379 0.000 1.403 86 H HN 0.701 nan 8.280 nan 0.000 0.533 87 R N 0.187 120.717 120.500 0.050 0.000 2.096 87 R HA -0.161 3.859 4.340 -0.533 0.000 0.235 87 R C 2.373 178.594 176.300 -0.132 0.000 1.127 87 R CA 1.645 57.748 56.100 0.005 0.000 0.968 87 R CB -0.120 30.235 30.300 0.091 0.000 0.861 87 R HN 0.513 nan 8.270 nan 0.000 0.440 88 Q N 0.319 120.009 119.800 -0.183 0.000 2.124 88 Q HA -0.190 3.830 4.340 -0.533 0.000 0.202 88 Q C 2.025 177.679 176.000 -0.578 0.000 0.977 88 Q CA 1.333 56.912 55.803 -0.373 0.000 0.850 88 Q CB -0.017 28.480 28.738 -0.403 0.000 0.901 88 Q HN 0.311 nan 8.270 nan 0.000 0.429 89 L N 0.062 121.018 121.223 -0.444 0.000 2.141 89 L HA -0.150 3.870 4.340 -0.533 0.000 0.209 89 L C 2.095 178.815 176.870 -0.250 0.000 1.094 89 L CA 1.251 55.865 54.840 -0.377 0.000 0.763 89 L CB -0.156 41.682 42.059 -0.369 0.000 0.908 89 L HN 0.289 nan 8.230 nan 0.000 0.437 90 M N -1.025 118.411 119.600 -0.274 0.000 2.156 90 M HA -0.098 4.062 4.480 -0.533 0.000 0.264 90 M C 1.932 178.200 176.300 -0.052 0.000 1.067 90 M CA 1.196 56.399 55.300 -0.162 0.000 1.131 90 M CB -1.532 30.977 32.600 -0.151 0.000 1.368 90 M HN 0.272 nan 8.290 nan 0.000 0.416 91 N N 0.268 118.953 118.700 -0.026 0.000 2.188 91 N HA -0.140 4.280 4.740 -0.533 0.000 0.184 91 N C 1.686 177.294 175.510 0.163 0.000 1.018 91 N CA 1.269 54.358 53.050 0.065 0.000 0.858 91 N CB -0.507 38.033 38.487 0.088 0.000 0.989 91 N HN 0.309 nan 8.380 nan 0.000 0.426 92 Y N 1.583 121.815 120.300 -0.113 0.000 2.263 92 Y HA -0.014 4.216 4.550 -0.534 0.000 0.292 92 Y C 2.460 178.286 175.900 -0.122 0.000 1.130 92 Y CA 0.425 58.443 58.100 -0.137 0.000 1.179 92 Y CB -0.634 37.727 38.460 -0.164 0.000 0.998 92 Y HN 0.218 nan 8.280 nan 0.000 0.532 93 E N 0.623 120.866 120.200 0.072 0.000 2.077 93 E HA -0.247 3.783 4.350 -0.533 0.000 0.193 93 E C 2.192 178.781 176.600 -0.018 0.000 0.989 93 E CA 1.296 57.695 56.400 -0.002 0.000 0.800 93 E CB -0.055 29.627 29.700 -0.029 0.000 0.746 93 E HN 0.378 nan 8.360 nan 0.000 0.452 94 K N 0.258 120.653 120.400 -0.008 0.000 2.057 94 K HA -0.157 3.843 4.320 -0.533 0.000 0.207 94 K C 2.367 178.949 176.600 -0.030 0.000 1.049 94 K CA 1.320 57.598 56.287 -0.016 0.000 0.931 94 K CB 0.045 32.541 32.500 -0.007 0.000 0.714 94 K HN 0.005 nan 8.250 nan 0.000 0.440 95 R N 0.377 120.853 120.500 -0.039 0.000 2.073 95 R HA -0.070 3.951 4.340 -0.533 0.000 0.234 95 R C 2.359 178.611 176.300 -0.080 0.000 1.134 95 R CA 1.372 57.431 56.100 -0.069 0.000 0.952 95 R CB -0.340 29.890 30.300 -0.116 0.000 0.850 95 R HN 0.165 nan 8.270 nan 0.000 0.433 96 L N -0.006 121.163 121.223 -0.091 0.000 2.079 96 L HA -0.176 3.845 4.340 -0.533 0.000 0.210 96 L C 2.660 179.487 176.870 -0.073 0.000 1.081 96 L CA 1.313 56.098 54.840 -0.092 0.000 0.752 96 L CB -0.345 41.657 42.059 -0.094 0.000 0.896 96 L HN 0.153 nan 8.230 nan 0.000 0.433 97 R N 0.176 120.639 120.500 -0.062 0.000 2.075 97 R HA -0.163 3.857 4.340 -0.533 0.000 0.232 97 R C 2.200 178.472 176.300 -0.046 0.000 1.126 97 R CA 1.404 57.471 56.100 -0.055 0.000 0.963 97 R CB -0.019 30.255 30.300 -0.044 0.000 0.858 97 R HN 0.381 nan 8.270 nan 0.000 0.435 98 E N -1.296 118.878 120.200 -0.043 0.000 2.150 98 E HA -0.107 3.923 4.350 -0.533 0.000 0.193 98 E C 1.549 178.125 176.600 -0.039 0.000 0.985 98 E CA 1.059 57.437 56.400 -0.036 0.000 0.814 98 E CB -0.023 29.656 29.700 -0.035 0.000 0.752 98 E HN 0.481 nan 8.360 nan 0.000 0.466 99 G N -0.429 108.342 108.800 -0.048 0.000 2.920 99 G HA2 0.123 3.763 3.960 -0.533 0.000 0.208 99 G HA3 0.123 3.763 3.960 -0.533 0.000 0.208 99 G C 0.968 175.840 174.900 -0.047 0.000 1.159 99 G CA 0.226 45.298 45.100 -0.047 0.000 0.784 99 G HN 0.381 nan 8.290 nan 0.000 0.535 100 G N -1.313 107.458 108.800 -0.048 0.000 2.147 100 G HA2 -0.206 3.434 3.960 -0.533 0.000 0.244 100 G HA3 -0.206 3.434 3.960 -0.533 0.000 0.244 100 G C 0.028 174.892 174.900 -0.059 0.000 1.005 100 G CA 0.151 45.222 45.100 -0.048 0.000 0.713 100 G HN 0.747 nan 8.290 nan 0.000 0.515 101 V N 0.652 120.524 119.914 -0.070 0.000 2.459 101 V HA 0.620 4.420 4.120 -0.533 0.000 0.295 101 V C 0.767 176.793 176.094 -0.115 0.000 1.029 101 V CA -0.331 61.919 62.300 -0.084 0.000 0.874 101 V CB 1.818 33.593 31.823 -0.080 0.000 0.985 101 V HN 0.260 nan 8.190 nan 0.000 0.438 102 T N 4.521 118.983 114.554 -0.153 0.000 2.794 102 T HA 0.450 4.480 4.350 -0.533 0.000 0.296 102 T C -0.222 174.267 174.700 -0.351 0.000 0.949 102 T CA -0.030 61.906 62.100 -0.273 0.000 1.101 102 T CB 0.955 69.616 68.868 -0.346 0.000 0.905 102 T HN 0.395 nan 8.240 nan 0.000 0.516 103 V N 4.977 124.689 119.914 -0.338 0.000 2.495 103 V HA 0.479 4.279 4.120 -0.533 0.000 0.298 103 V C -1.039 174.913 176.094 -0.238 0.000 1.031 103 V CA -0.883 61.283 62.300 -0.223 0.000 0.871 103 V CB 1.123 32.888 31.823 -0.098 0.000 0.988 103 V HN 0.746 nan 8.190 nan 0.000 0.432 104 Y N 0.856 121.241 120.300 0.142 0.000 2.528 104 Y HA 0.433 4.665 4.550 -0.531 0.000 0.335 104 Y C 1.005 177.052 175.900 0.244 0.000 1.093 104 Y CA -1.398 56.812 58.100 0.184 0.000 1.134 104 Y CB 1.082 39.683 38.460 0.236 0.000 1.253 104 Y HN 0.746 nan 8.280 nan 0.000 0.478 105 E N 0.067 120.528 120.200 0.435 0.000 2.440 105 E HA -0.277 3.753 4.350 -0.533 0.000 0.246 105 E C 0.127 176.898 176.600 0.285 0.000 1.165 105 E CA 0.518 57.170 56.400 0.420 0.000 0.726 105 E CB -0.830 29.242 29.700 0.621 0.000 1.271 105 E HN 0.706 nan 8.360 nan 0.000 0.397 106 A N -0.026 122.894 122.820 0.168 0.000 2.387 106 A HA 0.014 4.014 4.320 -0.533 0.000 0.234 106 A C 1.442 179.073 177.584 0.079 0.000 1.253 106 A CA 0.256 52.338 52.037 0.075 0.000 0.894 106 A CB 0.231 19.229 19.000 -0.002 0.000 0.963 106 A HN 0.360 nan 8.150 nan 0.000 0.508 107 D N 0.609 121.075 120.400 0.110 0.000 2.144 107 D HA -0.073 4.248 4.640 -0.533 0.000 0.200 107 D C 0.516 176.861 176.300 0.075 0.000 0.978 107 D CA 0.741 54.793 54.000 0.088 0.000 0.833 107 D CB -0.575 40.277 40.800 0.086 0.000 0.961 107 D HN 0.220 nan 8.370 nan 0.000 0.470 108 V N 3.006 122.966 119.914 0.076 0.000 2.540 108 V HA -0.013 3.788 4.120 -0.533 0.000 0.297 108 V C 0.965 177.022 176.094 -0.061 0.000 1.024 108 V CA -0.067 62.242 62.300 0.016 0.000 1.105 108 V CB 0.364 32.217 31.823 0.051 0.000 0.938 108 V HN 0.073 nan 8.190 nan 0.000 0.482 109 R N 5.488 125.886 120.500 -0.170 0.000 2.560 109 R HA 0.261 4.282 4.340 -0.533 0.000 0.270 109 R C -1.611 174.438 176.300 -0.420 0.000 1.074 109 R CA -2.277 53.527 56.100 -0.493 0.000 1.140 109 R CB 0.109 30.166 30.300 -0.405 0.000 1.073 109 R HN 0.361 nan 8.270 nan 0.000 0.527 110 P HA -0.104 nan 4.420 nan 0.000 0.215 110 P C -1.462 175.798 177.300 -0.067 0.000 1.157 110 P CA 1.641 64.549 63.100 -0.320 0.000 0.874 110 P CB -0.544 30.922 31.700 -0.390 0.000 0.790 111 P HA -0.116 nan 4.420 nan 0.000 0.216 111 P C 1.360 178.843 177.300 0.304 0.000 1.153 111 P CA 1.393 64.579 63.100 0.144 0.000 0.844 111 P CB -0.325 31.358 31.700 -0.028 0.000 0.787 112 E N -0.632 119.663 120.200 0.158 0.000 2.153 112 E HA -0.185 3.845 4.350 -0.533 0.000 0.194 112 E C 2.126 178.788 176.600 0.103 0.000 0.988 112 E CA 0.968 57.462 56.400 0.158 0.000 0.811 112 E CB -0.513 29.234 29.700 0.079 0.000 0.746 112 E HN 0.056 nan 8.360 nan 0.000 0.466 113 R N -0.450 120.097 120.500 0.078 0.000 2.073 113 R HA -0.118 3.902 4.340 -0.533 0.000 0.229 113 R C 2.105 178.472 176.300 0.111 0.000 1.120 113 R CA 1.182 57.325 56.100 0.070 0.000 0.967 113 R CB -0.713 29.621 30.300 0.057 0.000 0.862 113 R HN 0.330 nan 8.270 nan 0.000 0.436 114 Y N 0.234 120.567 120.300 0.057 0.000 2.242 114 Y HA -0.041 4.189 4.550 -0.533 0.000 0.291 114 Y C 1.523 177.443 175.900 0.033 0.000 1.137 114 Y CA 1.588 59.728 58.100 0.066 0.000 1.181 114 Y CB 0.069 38.612 38.460 0.139 0.000 0.989 114 Y HN 0.045 nan 8.280 nan 0.000 0.527 115 L N 0.178 121.537 121.223 0.226 0.000 2.072 115 L HA -0.202 3.818 4.340 -0.533 0.000 0.205 115 L C 2.605 179.431 176.870 -0.073 0.000 1.079 115 L CA 1.670 56.574 54.840 0.106 0.000 0.752 115 L CB -0.585 41.616 42.059 0.238 0.000 0.906 115 L HN 0.420 nan 8.230 nan 0.000 0.436 116 M N -1.587 117.879 119.600 -0.223 0.000 2.492 116 M HA -0.026 4.135 4.480 -0.533 0.000 0.262 116 M C 1.111 177.166 176.300 -0.409 0.000 1.090 116 M CA 1.433 56.429 55.300 -0.507 0.000 1.110 116 M CB -0.100 32.076 32.600 -0.707 0.000 1.407 116 M HN 0.031 nan 8.290 nan 0.000 0.470 117 E N 1.235 121.254 120.200 -0.301 0.000 2.474 117 E HA 0.115 4.145 4.350 -0.533 0.000 0.195 117 E C 1.018 177.384 176.600 -0.389 0.000 1.039 117 E CA 0.264 56.465 56.400 -0.332 0.000 0.881 117 E CB 0.246 29.843 29.700 -0.171 0.000 0.970 117 E HN 0.656 nan 8.360 nan 0.000 0.486 118 R N -0.468 119.829 120.500 -0.339 0.000 2.472 118 R HA 0.166 4.187 4.340 -0.533 0.000 0.279 118 R C -0.362 175.950 176.300 0.020 0.000 0.953 118 R CA -0.247 55.743 56.100 -0.183 0.000 1.088 118 R CB 0.278 30.422 30.300 -0.261 0.000 1.197 118 R HN -0.056 nan 8.270 nan 0.000 0.536 119 F N -0.071 119.862 119.950 -0.027 0.000 3.057 119 F HA -0.252 3.954 4.527 -0.535 0.000 0.287 119 F C 0.015 175.851 175.800 0.061 0.000 0.834 119 F CA 0.331 58.343 58.000 0.020 0.000 1.147 119 F CB -1.750 37.261 39.000 0.017 0.000 1.245 119 F HN 0.021 nan 8.300 nan 0.000 0.509 120 I N 0.363 121.033 120.570 0.166 0.000 2.395 120 I HA 0.266 4.116 4.170 -0.533 0.000 0.289 120 I C 1.300 177.541 176.117 0.207 0.000 1.023 120 I CA 0.537 61.923 61.300 0.143 0.000 1.350 120 I CB 1.268 39.299 38.000 0.052 0.000 1.409 120 I HN 0.276 nan 8.210 nan 0.000 0.507 121 T N 0.176 114.791 114.554 0.101 0.000 3.166 121 T HA 0.149 4.179 4.350 -0.533 0.000 0.182 121 T C 1.141 175.762 174.700 -0.130 0.000 0.810 121 T CA 0.072 62.169 62.100 -0.004 0.000 1.441 121 T CB 0.207 69.074 68.868 -0.001 0.000 2.201 121 T HN 0.396 nan 8.240 nan 0.000 0.414 122 S N 1.700 117.258 115.700 -0.237 0.000 2.524 122 S HA 0.382 4.532 4.470 -0.533 0.000 0.222 122 S C -2.404 171.790 174.600 -0.677 0.000 1.040 122 S CA -0.352 57.495 58.200 -0.587 0.000 0.915 122 S CB 0.036 62.629 63.200 -1.011 0.000 0.831 122 S HN 0.407 nan 8.310 nan 0.000 0.492 123 P HA 0.334 nan 4.420 nan 0.000 0.293 123 P C -0.853 176.498 177.300 0.085 0.000 1.313 123 P CA 0.010 63.133 63.100 0.038 0.000 0.787 123 P CB 1.527 33.390 31.700 0.272 0.000 0.910 124 V N 0.712 120.639 119.914 0.022 0.000 3.160 124 V HA 0.647 4.447 4.120 -0.533 0.000 0.310 124 V C -1.604 174.540 176.094 0.083 0.000 1.181 124 V CA -1.058 61.284 62.300 0.069 0.000 1.047 124 V CB 3.133 34.928 31.823 -0.046 0.000 1.068 124 V HN 0.554 nan 8.190 nan 0.000 0.441 125 W N 1.866 123.181 121.300 0.026 0.000 2.538 125 W HA 0.762 5.102 4.660 -0.533 0.000 0.322 125 W C -1.849 174.672 176.519 0.003 0.000 1.028 125 W CA -0.747 56.623 57.345 0.043 0.000 1.228 125 W CB 1.894 31.449 29.460 0.159 0.000 1.356 125 W HN 0.698 nan 8.180 nan 0.000 0.452 126 V N 6.794 126.365 119.914 -0.572 0.000 2.483 126 V HA 0.452 4.252 4.120 -0.533 0.000 0.295 126 V C -0.602 175.265 176.094 -0.378 0.000 1.035 126 V CA -0.246 61.850 62.300 -0.339 0.000 0.896 126 V CB 1.867 33.525 31.823 -0.275 0.000 0.986 126 V HN 0.545 nan 8.190 nan 0.000 0.447 127 E N 3.606 123.730 120.200 -0.126 0.000 2.248 127 E HA 0.744 4.774 4.350 -0.533 0.000 0.267 127 E C -0.191 176.341 176.600 -0.113 0.000 0.877 127 E CA -0.086 56.289 56.400 -0.041 0.000 0.759 127 E CB 2.168 31.965 29.700 0.161 0.000 1.182 127 E HN 1.057 nan 8.360 nan 0.000 0.418 128 G N 2.410 111.024 108.800 -0.310 0.000 2.323 128 G HA2 0.080 3.720 3.960 -0.533 0.000 0.291 128 G HA3 0.080 3.720 3.960 -0.533 0.000 0.291 128 G C -1.631 172.912 174.900 -0.595 0.000 1.278 128 G CA -0.757 44.112 45.100 -0.385 0.000 0.860 128 G HN 0.370 nan 8.290 nan 0.000 0.504 129 D N 1.076 121.282 120.400 -0.322 0.000 2.193 129 D HA 0.459 4.779 4.640 -0.533 0.000 0.244 129 D C 0.179 176.425 176.300 -0.091 0.000 1.064 129 D CA -0.315 53.571 54.000 -0.191 0.000 0.845 129 D CB 1.646 42.399 40.800 -0.079 0.000 1.148 129 D HN 0.141 nan 8.370 nan 0.000 0.464 130 M N 2.027 121.599 119.600 -0.047 0.000 2.188 130 M HA 0.078 4.238 4.480 -0.533 0.000 0.354 130 M C -0.684 175.649 176.300 0.055 0.000 1.342 130 M CA 0.077 55.368 55.300 -0.014 0.000 1.117 130 M CB -0.045 32.542 32.600 -0.020 0.000 1.670 130 M HN 0.409 nan 8.290 nan 0.000 0.466 131 H N 4.421 123.456 119.070 -0.059 0.000 3.172 131 H HA 0.287 4.523 4.556 -0.533 0.000 0.322 131 H C -0.509 174.793 175.328 -0.044 0.000 1.003 131 H CA -0.098 55.923 56.048 -0.045 0.000 1.466 131 H CB 0.407 30.140 29.762 -0.047 0.000 1.673 131 H HN 0.758 nan 8.280 nan 0.000 0.512 132 N N 3.897 122.407 118.700 -0.318 0.000 2.725 132 N HA -0.173 4.247 4.740 -0.533 0.000 0.251 132 N C 1.072 176.535 175.510 -0.079 0.000 1.031 132 N CA 1.770 54.697 53.050 -0.205 0.000 0.720 132 N CB -1.303 37.054 38.487 -0.217 0.000 0.930 132 N HN 1.170 nan 8.380 nan 0.000 0.543 133 G N -2.469 106.295 108.800 -0.060 0.000 2.184 133 G HA2 -0.309 3.331 3.960 -0.533 0.000 0.264 133 G HA3 -0.309 3.331 3.960 -0.533 0.000 0.264 133 G C 0.197 175.071 174.900 -0.042 0.000 0.975 133 G CA 1.208 46.289 45.100 -0.033 0.000 0.642 133 G HN 1.271 nan 8.290 nan 0.000 0.536 134 T N -1.601 112.922 114.554 -0.051 0.000 2.907 134 T HA 0.763 4.793 4.350 -0.533 0.000 0.292 134 T C -0.283 174.376 174.700 -0.069 0.000 1.043 134 T CA -1.096 60.949 62.100 -0.092 0.000 1.003 134 T CB 2.621 71.424 68.868 -0.109 0.000 1.084 134 T HN 0.314 nan 8.240 nan 0.000 0.483 135 I N 2.992 123.497 120.570 -0.108 0.000 2.353 135 I HA 0.490 4.340 4.170 -0.533 0.000 0.293 135 I C 0.404 176.461 176.117 -0.099 0.000 0.992 135 I CA -0.705 60.534 61.300 -0.102 0.000 1.268 135 I CB 1.305 39.227 38.000 -0.130 0.000 1.387 135 I HN 0.739 nan 8.210 nan 0.000 0.478 136 V N 3.438 123.300 119.914 -0.085 0.000 3.103 136 V HA 0.615 4.416 4.120 -0.533 0.000 0.318 136 V C 0.398 176.436 176.094 -0.094 0.000 1.114 136 V CA -0.898 61.347 62.300 -0.091 0.000 1.020 136 V CB 1.549 33.311 31.823 -0.101 0.000 1.085 136 V HN 0.772 nan 8.190 nan 0.000 0.446 137 N N -0.580 118.073 118.700 -0.078 0.000 2.725 137 N HA -0.159 4.261 4.740 -0.533 0.000 0.249 137 N C 0.191 175.671 175.510 -0.049 0.000 1.103 137 N CA 1.098 54.115 53.050 -0.055 0.000 0.707 137 N CB -1.320 37.136 38.487 -0.052 0.000 1.043 137 N HN 1.485 nan 8.380 nan 0.000 0.553 138 A N 0.237 123.024 122.820 -0.056 0.000 2.445 138 A HA 0.562 4.562 4.320 -0.533 0.000 0.242 138 A C 0.645 178.246 177.584 0.028 0.000 1.075 138 A CA 0.220 52.233 52.037 -0.040 0.000 0.777 138 A CB 0.611 19.579 19.000 -0.052 0.000 1.013 138 A HN 0.288 nan 8.150 nan 0.000 0.493 139 R N 0.829 121.376 120.500 0.078 0.000 2.621 139 R HA 0.607 4.628 4.340 -0.533 0.000 0.284 139 R C -1.520 174.896 176.300 0.192 0.000 0.998 139 R CA -0.550 55.672 56.100 0.205 0.000 0.895 139 R CB 1.739 32.149 30.300 0.183 0.000 1.195 139 R HN 0.662 nan 8.270 nan 0.000 0.450 140 L N 1.839 123.236 121.223 0.291 0.000 2.333 140 L HA 0.650 4.671 4.340 -0.533 0.000 0.269 140 L C -0.277 176.684 176.870 0.152 0.000 1.010 140 L CA -0.983 53.965 54.840 0.179 0.000 0.818 140 L CB 2.027 44.152 42.059 0.111 0.000 1.306 140 L HN 0.423 nan 8.230 nan 0.000 0.430 141 K N 1.524 122.026 120.400 0.170 0.000 2.482 141 K HA 0.524 4.524 4.320 -0.533 0.000 0.257 141 K C -2.750 173.953 176.600 0.172 0.000 0.969 141 K CA -1.740 54.642 56.287 0.159 0.000 0.842 141 K CB 2.754 35.378 32.500 0.205 0.000 1.359 141 K HN 0.246 nan 8.250 nan 0.000 0.441 142 P HA 0.094 nan 4.420 nan 0.000 0.279 142 P C -1.241 176.175 177.300 0.193 0.000 1.239 142 P CA -0.070 63.124 63.100 0.157 0.000 0.789 142 P CB 0.593 32.378 31.700 0.142 0.000 0.933 143 H N 4.017 123.169 119.070 0.137 0.000 2.459 143 H HA 0.252 4.488 4.556 -0.533 0.000 0.332 143 H C -1.153 174.270 175.328 0.160 0.000 1.094 143 H CA -1.694 54.458 56.048 0.174 0.000 1.224 143 H CB 1.265 31.168 29.762 0.235 0.000 1.449 143 H HN 0.248 nan 8.280 nan 0.000 0.484 144 P HA -0.114 nan 4.420 nan 0.000 0.215 144 P C -0.249 177.137 177.300 0.143 0.000 1.157 144 P CA 1.496 64.599 63.100 0.004 0.000 0.863 144 P CB 0.592 32.233 31.700 -0.098 0.000 0.787 145 D N -4.484 116.072 120.400 0.260 0.000 2.516 145 D HA 0.012 4.332 4.640 -0.533 0.000 0.241 145 D C 0.230 176.768 176.300 0.396 0.000 1.246 145 D CA -0.637 53.539 54.000 0.294 0.000 0.808 145 D CB -1.160 39.748 40.800 0.179 0.000 1.147 145 D HN 0.083 nan 8.370 nan 0.000 0.527 146 Y N 2.424 123.032 120.300 0.515 0.000 2.632 146 Y HA 0.216 4.446 4.550 -0.533 0.000 0.329 146 Y C -0.091 175.964 175.900 0.259 0.000 1.174 146 Y CA 0.022 58.297 58.100 0.292 0.000 1.469 146 Y CB 0.386 38.835 38.460 -0.018 0.000 1.242 146 Y HN -0.215 nan 8.280 nan 0.000 0.540 147 R N 7.507 127.746 120.500 -0.434 0.000 2.621 147 R HA 0.450 4.470 4.340 -0.533 0.000 0.292 147 R C -2.906 173.031 176.300 -0.606 0.000 0.969 147 R CA -2.177 53.729 56.100 -0.324 0.000 0.887 147 R CB 1.534 31.732 30.300 -0.170 0.000 1.180 147 R HN 0.518 nan 8.270 nan 0.000 0.450 148 P HA 0.405 nan 4.420 nan 0.000 0.293 148 P C -2.598 174.667 177.300 -0.059 0.000 1.291 148 P CA -1.797 61.246 63.100 -0.096 0.000 0.867 148 P CB 1.058 32.846 31.700 0.147 0.000 1.074 149 P HA 0.377 nan 4.420 nan 0.000 0.287 149 P C -0.903 176.419 177.300 0.037 0.000 1.281 149 P CA -0.067 63.032 63.100 -0.000 0.000 0.781 149 P CB 0.865 32.566 31.700 0.002 0.000 0.903 150 L N 2.921 124.166 121.223 0.035 0.000 2.381 150 L HA 0.494 4.515 4.340 -0.533 0.000 0.268 150 L C 0.492 177.342 176.870 -0.034 0.000 0.997 150 L CA -0.851 54.047 54.840 0.096 0.000 0.818 150 L CB 2.336 44.547 42.059 0.253 0.000 1.310 150 L HN 0.141 nan 8.230 nan 0.000 0.416 151 K N 2.043 122.465 120.400 0.038 0.000 2.172 151 K HA 0.469 4.470 4.320 -0.533 0.000 0.276 151 K C -1.569 175.145 176.600 0.191 0.000 1.013 151 K CA -0.548 55.724 56.287 -0.024 0.000 0.913 151 K CB 1.364 33.887 32.500 0.037 0.000 1.055 151 K HN 0.329 nan 8.250 nan 0.000 0.461 152 W N 2.238 123.555 121.300 0.028 0.000 2.702 152 W HA 0.403 4.743 4.660 -0.533 0.000 0.331 152 W C -0.560 175.941 176.519 -0.029 0.000 1.049 152 W CA -1.050 56.285 57.345 -0.015 0.000 1.230 152 W CB 0.827 30.240 29.460 -0.080 0.000 1.408 152 W HN 0.140 nan 8.180 nan 0.000 0.492 153 V N 3.194 123.215 119.914 0.180 0.000 2.398 153 V HA 0.547 4.347 4.120 -0.533 0.000 0.286 153 V C -0.250 175.810 176.094 -0.057 0.000 1.026 153 V CA -0.363 61.929 62.300 -0.014 0.000 0.868 153 V CB 1.610 33.251 31.823 -0.303 0.000 0.982 153 V HN 0.520 nan 8.190 nan 0.000 0.443 154 S N 7.424 123.068 115.700 -0.092 0.000 2.442 154 S HA 0.636 4.786 4.470 -0.533 0.000 0.297 154 S C -0.667 173.855 174.600 -0.130 0.000 1.131 154 S CA -0.613 57.505 58.200 -0.137 0.000 1.092 154 S CB 0.765 63.879 63.200 -0.143 0.000 0.998 154 S HN 0.863 nan 8.310 nan 0.000 0.478 155 I N 3.536 124.055 120.570 -0.085 0.000 2.509 155 I HA 0.664 4.514 4.170 -0.533 0.000 0.293 155 I C -1.569 174.543 176.117 -0.007 0.000 1.020 155 I CA -0.517 60.749 61.300 -0.056 0.000 1.088 155 I CB 1.942 39.938 38.000 -0.007 0.000 1.267 155 I HN 0.693 nan 8.210 nan 0.000 0.430 156 D N 7.133 127.528 120.400 -0.009 0.000 2.879 156 D HA 0.533 4.854 4.640 -0.533 0.000 0.236 156 D C -1.215 175.121 176.300 0.060 0.000 1.171 156 D CA -0.485 53.538 54.000 0.038 0.000 0.868 156 D CB 2.031 42.827 40.800 -0.007 0.000 1.598 156 D HN 0.579 nan 8.370 nan 0.000 0.497 157 I N -0.372 120.274 120.570 0.126 0.000 2.569 157 I HA 0.678 4.528 4.170 -0.533 0.000 0.296 157 I C -0.881 175.349 176.117 0.188 0.000 1.028 157 I CA -0.719 60.650 61.300 0.115 0.000 1.082 157 I CB 2.087 40.115 38.000 0.045 0.000 1.264 157 I HN 0.081 nan 8.210 nan 0.000 0.429 158 E N 4.678 124.976 120.200 0.164 0.000 2.166 158 E HA 0.504 4.534 4.350 -0.533 0.000 0.275 158 E C -0.414 176.264 176.600 0.129 0.000 0.941 158 E CA -0.344 56.185 56.400 0.215 0.000 0.784 158 E CB 2.312 32.178 29.700 0.276 0.000 1.115 158 E HN 0.871 nan 8.360 nan 0.000 0.399 159 T N -1.438 113.146 114.554 0.050 0.000 2.773 159 T HA 0.608 4.638 4.350 -0.533 0.000 0.278 159 T C 0.618 174.976 174.700 -0.571 0.000 1.011 159 T CA -0.686 61.265 62.100 -0.249 0.000 1.014 159 T CB 1.171 69.997 68.868 -0.069 0.000 1.293 159 T HN 0.379 nan 8.240 nan 0.000 0.554 160 T N -1.350 112.776 114.554 -0.713 0.000 2.865 160 T HA 0.403 4.434 4.350 -0.533 0.000 0.302 160 T C 1.333 175.860 174.700 -0.288 0.000 1.078 160 T CA -0.741 60.997 62.100 -0.602 0.000 0.942 160 T CB 0.544 69.131 68.868 -0.469 0.000 1.387 160 T HN 0.650 nan 8.240 nan 0.000 0.557 161 R N -0.447 119.860 120.500 -0.321 0.000 2.096 161 R HA -0.073 3.947 4.340 -0.533 0.000 0.235 161 R C 1.924 177.945 176.300 -0.465 0.000 1.127 161 R CA 1.300 57.139 56.100 -0.435 0.000 0.968 161 R CB -0.278 29.612 30.300 -0.683 0.000 0.861 161 R HN 0.653 nan 8.270 nan 0.000 0.440 162 H N -1.872 117.144 119.070 -0.089 0.000 2.529 162 H HA 0.223 4.459 4.556 -0.533 0.000 0.277 162 H C 0.962 176.229 175.328 -0.102 0.000 1.004 162 H CA 0.771 56.767 56.048 -0.086 0.000 1.167 162 H CB 1.093 30.801 29.762 -0.089 0.000 1.445 162 H HN 0.477 nan 8.280 nan 0.000 0.554 163 G N 1.383 110.160 108.800 -0.039 0.000 2.132 163 G HA2 -0.231 3.409 3.960 -0.533 0.000 0.234 163 G HA3 -0.231 3.409 3.960 -0.533 0.000 0.234 163 G C -0.036 174.849 174.900 -0.025 0.000 0.989 163 G CA -0.255 44.815 45.100 -0.049 0.000 0.676 163 G HN 0.373 nan 8.290 nan 0.000 0.522 164 E N -0.073 120.092 120.200 -0.060 0.000 2.331 164 E HA 0.399 4.430 4.350 -0.533 0.000 0.272 164 E C 0.792 177.339 176.600 -0.089 0.000 1.036 164 E CA -0.579 55.844 56.400 0.037 0.000 0.864 164 E CB 1.334 31.010 29.700 -0.039 0.000 1.035 164 E HN 0.343 nan 8.360 nan 0.000 0.408 165 L N 3.170 124.405 121.223 0.020 0.000 2.455 165 L HA -0.079 3.941 4.340 -0.533 0.000 0.272 165 L C 0.644 177.438 176.870 -0.128 0.000 1.174 165 L CA 0.158 54.901 54.840 -0.161 0.000 0.869 165 L CB 0.042 41.941 42.059 -0.266 0.000 1.130 165 L HN 0.610 nan 8.230 nan 0.000 0.474 166 Y N 2.047 122.250 120.300 -0.163 0.000 2.422 166 Y HA 0.130 4.360 4.550 -0.533 0.000 0.291 166 Y C 0.969 176.842 175.900 -0.046 0.000 1.144 166 Y CA -0.873 57.036 58.100 -0.319 0.000 1.208 166 Y CB 0.309 38.560 38.460 -0.349 0.000 1.195 166 Y HN 0.697 nan 8.280 nan 0.000 0.535 167 C N -1.103 118.308 119.300 0.186 0.000 3.320 167 C HA 0.743 4.883 4.460 -0.533 0.000 0.335 167 C C -0.770 174.287 174.990 0.111 0.000 1.430 167 C CA -1.714 57.402 59.018 0.164 0.000 1.271 167 C CB 1.372 29.221 27.740 0.182 0.000 1.609 167 C HN 0.061 nan 8.230 nan 0.000 0.457 168 I N 1.126 121.772 120.570 0.127 0.000 2.533 168 I HA 0.657 4.507 4.170 -0.533 0.000 0.290 168 I C 0.259 176.423 176.117 0.079 0.000 1.056 168 I CA -0.235 61.126 61.300 0.101 0.000 1.057 168 I CB 2.131 40.210 38.000 0.132 0.000 1.240 168 I HN 1.085 nan 8.210 nan 0.000 0.423 169 G N 6.595 115.395 108.800 0.001 0.000 2.495 169 G HA2 0.794 4.434 3.960 -0.533 0.000 0.318 169 G HA3 0.794 4.434 3.960 -0.533 0.000 0.318 169 G C -1.217 173.595 174.900 -0.147 0.000 1.257 169 G CA -0.475 44.572 45.100 -0.088 0.000 0.962 169 G HN 0.419 nan 8.290 nan 0.000 0.483 170 L N 1.315 122.399 121.223 -0.231 0.000 2.409 170 L HA 0.585 4.605 4.340 -0.533 0.000 0.272 170 L C -0.543 176.169 176.870 -0.264 0.000 0.980 170 L CA -0.745 53.870 54.840 -0.374 0.000 0.826 170 L CB 2.618 44.196 42.059 -0.801 0.000 1.268 170 L HN 0.476 nan 8.230 nan 0.000 0.407 171 E N 2.449 122.522 120.200 -0.211 0.000 2.244 171 E HA 0.691 4.721 4.350 -0.533 0.000 0.260 171 E C -0.709 175.878 176.600 -0.021 0.000 0.884 171 E CA -0.301 56.043 56.400 -0.093 0.000 0.777 171 E CB 2.411 32.054 29.700 -0.096 0.000 1.197 171 E HN 0.832 nan 8.360 nan 0.000 0.416 172 G N 1.253 110.095 108.800 0.070 0.000 2.361 172 G HA2 0.008 3.649 3.960 -0.533 0.000 0.305 172 G HA3 0.008 3.649 3.960 -0.533 0.000 0.305 172 G C -0.193 174.804 174.900 0.162 0.000 1.367 172 G CA -0.261 44.906 45.100 0.111 0.000 0.951 172 G HN 0.687 nan 8.290 nan 0.000 0.615 173 C N -0.356 118.987 119.300 0.072 0.000 4.331 173 C HA 0.116 4.256 4.460 -0.533 0.000 0.293 173 C C 2.250 177.151 174.990 -0.149 0.000 1.436 173 C CA 2.277 61.282 59.018 -0.022 0.000 1.993 173 C CB -1.533 26.201 27.740 -0.009 0.000 1.266 173 C HN 3.049 nan 8.230 nan 0.000 0.795 174 G N -0.941 107.799 108.800 -0.101 0.000 2.159 174 G HA2 -0.202 3.438 3.960 -0.533 0.000 0.256 174 G HA3 -0.202 3.438 3.960 -0.533 0.000 0.256 174 G C -0.365 174.450 174.900 -0.142 0.000 0.977 174 G CA 0.840 45.868 45.100 -0.120 0.000 0.652 174 G HN 0.717 nan 8.290 nan 0.000 0.531 175 Q N -0.536 119.202 119.800 -0.104 0.000 2.365 175 Q HA 0.813 4.833 4.340 -0.533 0.000 0.269 175 Q C 0.029 176.058 176.000 0.049 0.000 1.061 175 Q CA -0.451 55.326 55.803 -0.043 0.000 0.816 175 Q CB 1.262 30.009 28.738 0.016 0.000 1.325 175 Q HN 0.384 nan 8.270 nan 0.000 0.446 176 R N 2.248 122.773 120.500 0.043 0.000 2.502 176 R HA 0.747 4.767 4.340 -0.533 0.000 0.300 176 R C -1.223 175.107 176.300 0.050 0.000 0.984 176 R CA -0.438 55.672 56.100 0.017 0.000 0.882 176 R CB 1.484 31.799 30.300 0.025 0.000 1.180 176 R HN 0.720 nan 8.270 nan 0.000 0.444 177 I N 1.508 122.063 120.570 -0.025 0.000 2.947 177 I HA 0.438 4.288 4.170 -0.533 0.000 0.301 177 I C -1.733 174.270 176.117 -0.191 0.000 1.453 177 I CA -0.940 60.331 61.300 -0.048 0.000 0.984 177 I CB 2.397 40.360 38.000 -0.062 0.000 1.333 177 I HN 0.305 nan 8.210 nan 0.000 0.475 178 V N 5.544 125.340 119.914 -0.198 0.000 2.638 178 V HA 0.463 4.263 4.120 -0.533 0.000 0.306 178 V C -1.458 174.446 176.094 -0.316 0.000 1.052 178 V CA -0.512 61.670 62.300 -0.197 0.000 0.885 178 V CB 1.830 33.644 31.823 -0.015 0.000 0.999 178 V HN 0.510 nan 8.190 nan 0.000 0.424 179 Y N 4.253 124.577 120.300 0.040 0.000 2.328 179 Y HA 0.661 4.892 4.550 -0.533 0.000 0.337 179 Y C 0.265 176.189 175.900 0.040 0.000 1.008 179 Y CA -0.717 57.408 58.100 0.042 0.000 1.129 179 Y CB 1.618 40.118 38.460 0.067 0.000 1.185 179 Y HN 0.366 nan 8.280 nan 0.000 0.476 180 M N 4.127 123.810 119.600 0.139 0.000 2.383 180 M HA 0.247 4.407 4.480 -0.533 0.000 0.325 180 M C -1.152 175.325 176.300 0.294 0.000 1.092 180 M CA -1.176 54.208 55.300 0.141 0.000 0.961 180 M CB 1.910 34.413 32.600 -0.162 0.000 1.672 180 M HN 0.580 nan 8.290 nan 0.000 0.438 181 L N 3.706 125.177 121.223 0.413 0.000 2.418 181 L HA 0.435 4.455 4.340 -0.533 0.000 0.274 181 L C 0.542 177.698 176.870 0.477 0.000 1.135 181 L CA 0.464 55.564 54.840 0.433 0.000 0.870 181 L CB 0.155 42.490 42.059 0.461 0.000 1.154 181 L HN 0.772 nan 8.230 nan 0.000 0.462 182 G N 5.455 114.471 108.800 0.360 0.000 2.621 182 G HA2 0.434 4.074 3.960 -0.533 0.000 0.271 182 G HA3 0.434 4.074 3.960 -0.533 0.000 0.271 182 G C -2.504 172.450 174.900 0.090 0.000 1.236 182 G CA -0.937 44.285 45.100 0.205 0.000 0.958 182 G HN 0.621 nan 8.290 nan 0.000 0.512 183 P HA 0.182 nan 4.420 nan 0.000 0.274 183 P C -0.284 176.802 177.300 -0.356 0.000 1.237 183 P CA -0.182 62.807 63.100 -0.184 0.000 0.793 183 P CB 0.601 32.215 31.700 -0.144 0.000 0.977 184 E N 1.902 121.704 120.200 -0.664 0.000 2.360 184 E HA 0.255 4.285 4.350 -0.533 0.000 0.269 184 E C 0.086 176.471 176.600 -0.357 0.000 1.022 184 E CA -0.324 55.533 56.400 -0.905 0.000 0.887 184 E CB 0.066 29.108 29.700 -1.096 0.000 0.990 184 E HN 0.422 nan 8.360 nan 0.000 0.426 185 N N 1.041 119.633 118.700 -0.180 0.000 2.732 185 N HA 0.558 4.978 4.740 -0.533 0.000 0.259 185 N C 0.084 175.575 175.510 -0.032 0.000 1.402 185 N CA -0.206 52.781 53.050 -0.106 0.000 0.829 185 N CB 1.137 39.552 38.487 -0.121 0.000 1.495 185 N HN 0.675 nan 8.380 nan 0.000 0.511 186 G N -0.140 108.639 108.800 -0.035 0.000 2.693 186 G HA2 -0.044 3.597 3.960 -0.533 0.000 0.226 186 G HA3 -0.044 3.597 3.960 -0.533 0.000 0.226 186 G C -1.580 173.317 174.900 -0.006 0.000 1.354 186 G CA 0.109 45.201 45.100 -0.013 0.000 0.873 186 G HN 1.024 nan 8.290 nan 0.000 0.562 187 D N -0.047 120.353 120.400 -0.001 0.000 2.408 187 D HA 0.717 5.038 4.640 -0.533 0.000 0.243 187 D C 0.665 176.960 176.300 -0.008 0.000 1.075 187 D CA 0.426 54.422 54.000 -0.006 0.000 0.832 187 D CB 1.141 41.934 40.800 -0.011 0.000 1.162 187 D HN 1.130 nan 8.370 nan 0.000 0.515 188 A N 2.832 125.647 122.820 -0.010 0.000 2.470 188 A HA 0.114 4.114 4.320 -0.533 0.000 0.251 188 A C 1.673 179.214 177.584 -0.072 0.000 1.245 188 A CA -0.161 51.850 52.037 -0.044 0.000 0.932 188 A CB 0.109 19.104 19.000 -0.010 0.000 1.037 188 A HN 0.439 nan 8.150 nan 0.000 0.522 189 S N 0.665 116.338 115.700 -0.046 0.000 2.507 189 S HA -0.068 4.082 4.470 -0.533 0.000 0.235 189 S C 1.507 176.072 174.600 -0.058 0.000 0.988 189 S CA 1.340 59.513 58.200 -0.046 0.000 0.944 189 S CB -0.263 62.919 63.200 -0.029 0.000 0.762 189 S HN 0.743 nan 8.310 nan 0.000 0.526 190 S N 0.849 116.509 115.700 -0.067 0.000 2.561 190 S HA 0.445 4.595 4.470 -0.533 0.000 0.245 190 S C -0.029 174.517 174.600 -0.090 0.000 1.001 190 S CA -0.635 57.529 58.200 -0.061 0.000 1.002 190 S CB -0.272 62.906 63.200 -0.037 0.000 0.805 190 S HN 0.296 nan 8.310 nan 0.000 0.458 191 L N 0.834 121.958 121.223 -0.165 0.000 2.334 191 L HA 0.534 4.554 4.340 -0.533 0.000 0.273 191 L C 0.547 177.308 176.870 -0.182 0.000 1.013 191 L CA -0.967 53.715 54.840 -0.263 0.000 0.816 191 L CB 0.930 42.588 42.059 -0.669 0.000 1.278 191 L HN -0.023 nan 8.230 nan 0.000 0.431 192 D N 1.523 121.904 120.400 -0.032 0.000 2.144 192 D HA -0.079 4.241 4.640 -0.533 0.000 0.200 192 D C 0.438 176.802 176.300 0.106 0.000 0.978 192 D CA 1.651 55.703 54.000 0.088 0.000 0.833 192 D CB 0.054 40.982 40.800 0.213 0.000 0.961 192 D HN 0.381 nan 8.370 nan 0.000 0.470 193 F N 0.180 120.115 119.950 -0.026 0.000 2.525 193 F HA 0.532 4.739 4.527 -0.533 0.000 0.346 193 F C 0.276 176.051 175.800 -0.041 0.000 1.072 193 F CA -1.362 56.616 58.000 -0.036 0.000 1.033 193 F CB 0.635 39.606 39.000 -0.048 0.000 1.324 193 F HN -0.411 nan 8.300 nan 0.000 0.491 194 E N 1.236 121.512 120.200 0.126 0.000 2.194 194 E HA 0.349 4.379 4.350 -0.533 0.000 0.284 194 E C -1.579 175.028 176.600 0.012 0.000 1.035 194 E CA -0.679 55.722 56.400 0.002 0.000 0.836 194 E CB 1.463 31.186 29.700 0.037 0.000 1.070 194 E HN 0.570 nan 8.360 nan 0.000 0.401 195 L N 4.097 125.242 121.223 -0.130 0.000 2.313 195 L HA 0.417 4.438 4.340 -0.533 0.000 0.283 195 L C -0.921 175.861 176.870 -0.147 0.000 1.013 195 L CA -0.163 54.595 54.840 -0.137 0.000 0.816 195 L CB 1.591 43.516 42.059 -0.224 0.000 1.236 195 L HN 0.490 nan 8.230 nan 0.000 0.419 196 E N 2.993 123.086 120.200 -0.179 0.000 2.272 196 E HA 0.416 4.446 4.350 -0.533 0.000 0.269 196 E C -1.817 174.749 176.600 -0.056 0.000 0.877 196 E CA -0.636 55.746 56.400 -0.029 0.000 0.755 196 E CB 1.401 31.167 29.700 0.110 0.000 1.192 196 E HN 0.562 nan 8.360 nan 0.000 0.422 197 Y N 1.551 121.941 120.300 0.150 0.000 2.420 197 Y HA 0.481 4.711 4.550 -0.533 0.000 0.334 197 Y C -0.083 175.909 175.900 0.154 0.000 1.094 197 Y CA -0.744 57.445 58.100 0.147 0.000 1.126 197 Y CB 1.821 40.334 38.460 0.089 0.000 1.217 197 Y HN 0.294 nan 8.280 nan 0.000 0.462 198 V N -0.633 119.471 119.914 0.316 0.000 2.823 198 V HA 0.806 4.606 4.120 -0.533 0.000 0.312 198 V C 0.324 176.526 176.094 0.181 0.000 1.072 198 V CA -0.600 61.824 62.300 0.207 0.000 0.937 198 V CB 1.362 33.279 31.823 0.156 0.000 1.013 198 V HN 0.919 nan 8.190 nan 0.000 0.430 199 A N 2.659 125.550 122.820 0.118 0.000 1.930 199 A HA 0.169 4.169 4.320 -0.533 0.000 0.217 199 A C 1.471 179.102 177.584 0.078 0.000 1.175 199 A CA 1.651 53.740 52.037 0.087 0.000 0.627 199 A CB -0.323 18.708 19.000 0.051 0.000 0.815 199 A HN 1.322 nan 8.150 nan 0.000 0.443 200 S N -2.225 113.508 115.700 0.056 0.000 2.532 200 S HA 0.495 4.645 4.470 -0.533 0.000 0.301 200 S C 0.811 175.423 174.600 0.020 0.000 1.083 200 S CA -0.703 57.505 58.200 0.013 0.000 1.025 200 S CB 1.239 64.415 63.200 -0.039 0.000 1.056 200 S HN 0.383 nan 8.310 nan 0.000 0.494 201 R N 1.934 122.432 120.500 -0.004 0.000 2.120 201 R HA 0.010 4.030 4.340 -0.533 0.000 0.234 201 R C -1.061 175.267 176.300 0.045 0.000 1.123 201 R CA 1.399 57.532 56.100 0.054 0.000 0.975 201 R CB -1.077 29.297 30.300 0.123 0.000 0.866 201 R HN 0.547 nan 8.270 nan 0.000 0.446 202 P HA -0.086 nan 4.420 nan 0.000 0.226 202 P C 0.677 177.982 177.300 0.009 0.000 1.153 202 P CA 1.066 64.092 63.100 -0.125 0.000 0.777 202 P CB 0.122 31.600 31.700 -0.369 0.000 0.794 203 Q N -1.040 118.755 119.800 -0.008 0.000 2.311 203 Q HA 0.006 4.026 4.340 -0.533 0.000 0.203 203 Q C 1.872 177.865 176.000 -0.012 0.000 0.954 203 Q CA 0.787 56.591 55.803 0.001 0.000 0.885 203 Q CB -0.557 28.194 28.738 0.021 0.000 0.963 203 Q HN 0.221 nan 8.270 nan 0.000 0.471 204 L N -0.302 120.931 121.223 0.016 0.000 2.056 204 L HA -0.180 3.840 4.340 -0.533 0.000 0.207 204 L C 1.983 178.816 176.870 -0.062 0.000 1.078 204 L CA 0.886 55.715 54.840 -0.018 0.000 0.749 204 L CB -0.359 41.717 42.059 0.028 0.000 0.901 204 L HN 0.315 nan 8.230 nan 0.000 0.433 205 L N -0.632 120.591 121.223 0.001 0.000 2.056 205 L HA -0.197 3.823 4.340 -0.533 0.000 0.207 205 L C 2.388 179.242 176.870 -0.028 0.000 1.078 205 L CA 1.325 56.161 54.840 -0.007 0.000 0.749 205 L CB -0.549 41.551 42.059 0.067 0.000 0.901 205 L HN 0.302 nan 8.230 nan 0.000 0.433 206 E N -0.078 120.108 120.200 -0.023 0.000 2.110 206 E HA -0.185 3.845 4.350 -0.533 0.000 0.193 206 E C 2.206 178.764 176.600 -0.070 0.000 0.988 206 E CA 0.802 57.184 56.400 -0.029 0.000 0.804 206 E CB 0.227 29.916 29.700 -0.018 0.000 0.745 206 E HN 0.192 nan 8.360 nan 0.000 0.458 207 K N 0.465 120.763 120.400 -0.170 0.000 2.057 207 K HA -0.126 3.874 4.320 -0.533 0.000 0.206 207 K C 2.198 178.609 176.600 -0.316 0.000 1.050 207 K CA 0.636 56.698 56.287 -0.375 0.000 0.935 207 K CB -0.505 31.485 32.500 -0.850 0.000 0.715 207 K HN 0.154 nan 8.250 nan 0.000 0.439 208 L N 1.446 122.539 121.223 -0.217 0.000 2.093 208 L HA -0.136 3.884 4.340 -0.533 0.000 0.208 208 L C 1.460 178.440 176.870 0.184 0.000 1.085 208 L CA 1.724 56.585 54.840 0.034 0.000 0.755 208 L CB -0.511 41.545 42.059 -0.005 0.000 0.904 208 L HN 0.146 nan 8.230 nan 0.000 0.435 209 N N -0.252 118.484 118.700 0.059 0.000 2.166 209 N HA -0.148 4.272 4.740 -0.533 0.000 0.186 209 N C 1.848 177.457 175.510 0.165 0.000 1.019 209 N CA 1.357 54.453 53.050 0.075 0.000 0.856 209 N CB -0.290 38.206 38.487 0.014 0.000 0.993 209 N HN 0.552 nan 8.380 nan 0.000 0.426 210 A N -0.334 122.566 122.820 0.134 0.000 1.929 210 A HA -0.131 3.869 4.320 -0.533 0.000 0.216 210 A C 1.921 179.624 177.584 0.198 0.000 1.176 210 A CA 0.804 52.910 52.037 0.116 0.000 0.628 210 A CB -1.001 18.035 19.000 0.060 0.000 0.816 210 A HN 0.597 nan 8.150 nan 0.000 0.444 211 W N -0.536 120.856 121.300 0.152 0.000 2.358 211 W HA -0.190 4.150 4.660 -0.533 0.000 0.303 211 W C 1.662 178.293 176.519 0.186 0.000 1.208 211 W CA 1.744 59.234 57.345 0.241 0.000 1.274 211 W CB -0.237 29.459 29.460 0.393 0.000 1.138 211 W HN 0.309 nan 8.180 nan 0.000 0.515 212 F N 0.364 120.662 119.950 0.580 0.000 2.186 212 F HA -0.126 4.081 4.527 -0.533 0.000 0.299 212 F C 2.497 178.376 175.800 0.131 0.000 1.090 212 F CA 1.881 60.138 58.000 0.430 0.000 1.307 212 F CB -1.213 37.947 39.000 0.266 0.000 1.019 212 F HN -0.041 nan 8.300 nan 0.000 0.489 213 A N -0.202 122.746 122.820 0.213 0.000 1.898 213 A HA -0.178 3.823 4.320 -0.533 0.000 0.216 213 A C 1.973 179.496 177.584 -0.101 0.000 1.181 213 A CA 2.036 54.102 52.037 0.048 0.000 0.620 213 A CB -0.712 18.305 19.000 0.028 0.000 0.819 213 A HN 0.354 nan 8.150 nan 0.000 0.442 214 N N -1.738 116.802 118.700 -0.268 0.000 2.251 214 N HA -0.005 4.415 4.740 -0.533 0.000 0.181 214 N C 1.066 176.157 175.510 -0.698 0.000 1.019 214 N CA 1.204 53.928 53.050 -0.543 0.000 0.862 214 N CB -0.257 37.740 38.487 -0.816 0.000 0.992 214 N HN 0.535 nan 8.380 nan 0.000 0.429 215 Y N 0.465 120.470 120.300 -0.492 0.000 2.482 215 Y HA 0.166 4.396 4.550 -0.533 0.000 0.270 215 Y C 0.173 175.867 175.900 -0.342 0.000 1.152 215 Y CA -0.400 57.327 58.100 -0.622 0.000 1.292 215 Y CB -0.177 37.431 38.460 -1.420 0.000 1.070 215 Y HN -0.061 nan 8.280 nan 0.000 0.528 216 D N 1.159 121.500 120.400 -0.099 0.000 2.802 216 D HA -0.150 4.170 4.640 -0.533 0.000 0.229 216 D C -2.627 173.692 176.300 0.033 0.000 1.203 216 D CA 0.072 54.068 54.000 -0.007 0.000 0.712 216 D CB -0.126 40.668 40.800 -0.010 0.000 0.973 216 D HN 0.180 nan 8.370 nan 0.000 0.407 217 P HA 0.118 nan 4.420 nan 0.000 0.276 217 P C 0.484 177.853 177.300 0.115 0.000 1.230 217 P CA -0.203 62.956 63.100 0.097 0.000 0.776 217 P CB 0.941 32.690 31.700 0.082 0.000 0.888 218 D N 0.978 121.470 120.400 0.153 0.000 2.183 218 D HA 0.017 4.337 4.640 -0.533 0.000 0.205 218 D C 0.420 176.832 176.300 0.187 0.000 0.962 218 D CA 1.239 55.340 54.000 0.168 0.000 0.849 218 D CB 0.408 41.324 40.800 0.194 0.000 0.978 218 D HN 0.149 nan 8.370 nan 0.000 0.488 219 V N 1.648 121.704 119.914 0.236 0.000 2.540 219 V HA 0.345 4.145 4.120 -0.533 0.000 0.302 219 V C -0.087 176.067 176.094 0.100 0.000 1.035 219 V CA -0.693 61.699 62.300 0.153 0.000 0.873 219 V CB 2.534 34.415 31.823 0.097 0.000 0.992 219 V HN -0.103 nan 8.190 nan 0.000 0.428 220 I N 6.163 126.771 120.570 0.064 0.000 2.321 220 I HA 0.548 4.399 4.170 -0.533 0.000 0.291 220 I C -0.234 175.852 176.117 -0.052 0.000 0.998 220 I CA -0.295 61.042 61.300 0.061 0.000 1.227 220 I CB 1.217 39.304 38.000 0.144 0.000 1.368 220 I HN 0.619 nan 8.210 nan 0.000 0.466 221 I N 3.026 123.499 120.570 -0.160 0.000 2.957 221 I HA 1.083 4.933 4.170 -0.533 0.000 0.310 221 I C 0.058 176.037 176.117 -0.228 0.000 1.063 221 I CA -0.423 60.682 61.300 -0.325 0.000 1.033 221 I CB 2.277 39.748 38.000 -0.882 0.000 1.230 221 I HN 0.599 nan 8.210 nan 0.000 0.447 222 G N 1.529 110.230 108.800 -0.166 0.000 2.342 222 G HA2 0.215 3.856 3.960 -0.533 0.000 0.297 222 G HA3 0.215 3.856 3.960 -0.533 0.000 0.297 222 G C -2.684 172.310 174.900 0.157 0.000 1.313 222 G CA -0.731 44.366 45.100 -0.005 0.000 0.830 222 G HN 0.781 nan 8.290 nan 0.000 0.506 223 W N 1.649 122.942 121.300 -0.012 0.000 2.318 223 W HA 0.433 4.773 4.660 -0.532 0.000 0.315 223 W C 0.560 177.104 176.519 0.042 0.000 1.033 223 W CA -0.192 57.167 57.345 0.023 0.000 1.275 223 W CB 1.197 30.651 29.460 -0.011 0.000 1.250 223 W HN 0.778 nan 8.180 nan 0.000 0.421 224 N N 3.354 121.994 118.700 -0.099 0.000 2.747 224 N HA -0.230 4.191 4.740 -0.533 0.000 0.249 224 N C 0.663 176.258 175.510 0.140 0.000 1.107 224 N CA 1.072 54.128 53.050 0.010 0.000 0.707 224 N CB -1.102 37.424 38.487 0.065 0.000 1.054 224 N HN 0.307 nan 8.380 nan 0.000 0.555 225 V N -0.805 119.176 119.914 0.111 0.000 2.343 225 V HA -0.202 3.598 4.120 -0.533 0.000 0.247 225 V C 1.959 178.148 176.094 0.158 0.000 1.051 225 V CA 2.275 64.659 62.300 0.140 0.000 1.036 225 V CB -0.090 31.783 31.823 0.083 0.000 0.654 225 V HN 0.338 nan 8.190 nan 0.000 0.451 226 V N -0.465 119.535 119.914 0.142 0.000 2.323 226 V HA -0.181 3.619 4.120 -0.533 0.000 0.244 226 V C 2.535 178.812 176.094 0.304 0.000 1.041 226 V CA 1.822 64.241 62.300 0.199 0.000 1.025 226 V CB -0.584 31.327 31.823 0.146 0.000 0.656 226 V HN 0.508 nan 8.190 nan 0.000 0.451 227 Q N -1.519 118.426 119.800 0.242 0.000 2.172 227 Q HA -0.055 3.965 4.340 -0.533 0.000 0.200 227 Q C 1.833 177.962 176.000 0.215 0.000 0.964 227 Q CA 1.602 57.547 55.803 0.238 0.000 0.855 227 Q CB -0.162 28.698 28.738 0.203 0.000 0.918 227 Q HN 0.653 nan 8.270 nan 0.000 0.444 228 F N 0.879 120.872 119.950 0.073 0.000 2.414 228 F HA 0.023 4.230 4.527 -0.533 0.000 0.255 228 F C 1.375 177.198 175.800 0.039 0.000 1.032 228 F CA 0.639 58.662 58.000 0.039 0.000 1.049 228 F CB -0.304 38.724 39.000 0.046 0.000 1.140 228 F HN -0.057 nan 8.300 nan 0.000 0.643 229 D N 1.077 121.618 120.400 0.235 0.000 2.154 229 D HA -0.261 4.060 4.640 -0.533 0.000 0.190 229 D C 2.257 178.552 176.300 -0.009 0.000 1.003 229 D CA 2.348 56.398 54.000 0.082 0.000 0.849 229 D CB -0.497 40.419 40.800 0.193 0.000 0.942 229 D HN 0.255 nan 8.370 nan 0.000 0.446 230 L N -0.233 121.047 121.223 0.095 0.000 2.217 230 L HA -0.027 3.993 4.340 -0.533 0.000 0.211 230 L C 2.487 179.462 176.870 0.175 0.000 1.107 230 L CA 0.619 55.556 54.840 0.162 0.000 0.783 230 L CB -0.232 41.976 42.059 0.249 0.000 0.919 230 L HN 0.019 nan 8.230 nan 0.000 0.442 231 R N -0.343 120.171 120.500 0.024 0.000 2.090 231 R HA -0.091 3.929 4.340 -0.533 0.000 0.228 231 R C 2.314 178.380 176.300 -0.390 0.000 1.110 231 R CA 0.976 56.873 56.100 -0.339 0.000 0.973 231 R CB 0.111 30.200 30.300 -0.351 0.000 0.869 231 R HN 0.200 nan 8.270 nan 0.000 0.440 232 M N 0.299 119.686 119.600 -0.355 0.000 2.200 232 M HA -0.090 4.070 4.480 -0.533 0.000 0.265 232 M C 2.159 178.441 176.300 -0.030 0.000 1.066 232 M CA 1.265 56.399 55.300 -0.276 0.000 1.127 232 M CB -0.636 31.729 32.600 -0.392 0.000 1.379 232 M HN 0.186 nan 8.290 nan 0.000 0.420 233 L N -0.249 120.901 121.223 -0.123 0.000 2.056 233 L HA -0.235 3.785 4.340 -0.533 0.000 0.207 233 L C 2.625 179.435 176.870 -0.100 0.000 1.078 233 L CA 1.221 55.992 54.840 -0.114 0.000 0.749 233 L CB -0.563 41.428 42.059 -0.113 0.000 0.901 233 L HN 0.283 nan 8.230 nan 0.000 0.433 234 Q N 0.403 120.125 119.800 -0.131 0.000 2.172 234 Q HA -0.185 3.836 4.340 -0.533 0.000 0.200 234 Q C 2.054 177.888 176.000 -0.277 0.000 0.964 234 Q CA 1.569 57.267 55.803 -0.175 0.000 0.855 234 Q CB 0.022 28.598 28.738 -0.270 0.000 0.918 234 Q HN 0.243 nan 8.270 nan 0.000 0.444 235 K N -1.170 119.037 120.400 -0.322 0.000 2.057 235 K HA -0.164 3.836 4.320 -0.533 0.000 0.206 235 K C 1.977 178.330 176.600 -0.412 0.000 1.050 235 K CA 1.504 57.566 56.287 -0.375 0.000 0.935 235 K CB -0.138 32.123 32.500 -0.399 0.000 0.715 235 K HN 0.400 nan 8.250 nan 0.000 0.439 236 H N -0.292 118.508 119.070 -0.450 0.000 2.357 236 H HA -0.038 4.198 4.556 -0.533 0.000 0.301 236 H C 1.871 176.699 175.328 -0.833 0.000 1.082 236 H CA 1.513 57.125 56.048 -0.727 0.000 1.342 236 H CB -0.154 29.227 29.762 -0.636 0.000 1.389 236 H HN 0.263 nan 8.280 nan 0.000 0.511 237 A N 0.886 123.516 122.820 -0.318 0.000 1.940 237 A HA -0.230 3.770 4.320 -0.533 0.000 0.219 237 A C 2.083 179.565 177.584 -0.170 0.000 1.176 237 A CA 1.937 53.859 52.037 -0.190 0.000 0.631 237 A CB -0.337 18.604 19.000 -0.100 0.000 0.814 237 A HN 0.522 nan 8.150 nan 0.000 0.446 238 E N -0.670 119.401 120.200 -0.216 0.000 2.106 238 E HA -0.135 3.895 4.350 -0.533 0.000 0.192 238 E C 2.295 178.808 176.600 -0.145 0.000 0.984 238 E CA 0.893 57.193 56.400 -0.166 0.000 0.806 238 E CB -0.111 29.473 29.700 -0.193 0.000 0.750 238 E HN 0.557 nan 8.360 nan 0.000 0.458 239 R N -0.128 120.234 120.500 -0.231 0.000 2.115 239 R HA -0.062 3.958 4.340 -0.533 0.000 0.226 239 R C 1.333 177.719 176.300 0.142 0.000 1.100 239 R CA 0.802 56.837 56.100 -0.109 0.000 0.980 239 R CB 0.001 30.188 30.300 -0.188 0.000 0.875 239 R HN 0.244 nan 8.270 nan 0.000 0.445 240 Y N 0.687 120.963 120.300 -0.041 0.000 2.466 240 Y HA 0.196 4.427 4.550 -0.533 0.000 0.272 240 Y C 0.326 176.211 175.900 -0.025 0.000 1.169 240 Y CA -0.655 57.432 58.100 -0.022 0.000 1.285 240 Y CB -0.164 38.294 38.460 -0.003 0.000 1.078 240 Y HN -0.080 nan 8.280 nan 0.000 0.523 241 R N -0.360 120.201 120.500 0.101 0.000 3.333 241 R HA -0.197 3.823 4.340 -0.533 0.000 0.256 241 R C -1.134 175.198 176.300 0.053 0.000 1.010 241 R CA 0.167 56.293 56.100 0.043 0.000 0.680 241 R CB -2.302 28.018 30.300 0.034 0.000 1.102 241 R HN 0.125 nan 8.270 nan 0.000 0.440 242 L N 1.791 123.051 121.223 0.062 0.000 2.349 242 L HA 0.491 4.511 4.340 -0.533 0.000 0.278 242 L C -1.920 174.961 176.870 0.018 0.000 0.996 242 L CA -2.338 52.539 54.840 0.060 0.000 0.825 242 L CB 1.789 43.926 42.059 0.131 0.000 1.243 242 L HN -0.056 nan 8.230 nan 0.000 0.412 243 P HA 0.125 nan 4.420 nan 0.000 0.282 243 P C -0.623 176.668 177.300 -0.016 0.000 1.262 243 P CA -0.495 62.601 63.100 -0.007 0.000 0.773 243 P CB 1.210 32.906 31.700 -0.007 0.000 0.879 244 L N 5.679 126.886 121.223 -0.027 0.000 2.328 244 L HA 0.226 4.246 4.340 -0.533 0.000 0.280 244 L C 0.729 177.557 176.870 -0.070 0.000 1.111 244 L CA -0.134 54.674 54.840 -0.054 0.000 0.909 244 L CB -0.321 41.708 42.059 -0.049 0.000 1.277 244 L HN 0.202 nan 8.230 nan 0.000 0.433 245 R N 5.514 125.970 120.500 -0.072 0.000 2.891 245 R HA 0.196 4.217 4.340 -0.533 0.000 0.248 245 R C 0.545 176.773 176.300 -0.120 0.000 1.439 245 R CA -0.086 55.971 56.100 -0.071 0.000 1.288 245 R CB 0.115 30.394 30.300 -0.035 0.000 1.212 245 R HN 0.681 nan 8.270 nan 0.000 0.605 246 L N 0.432 121.543 121.223 -0.186 0.000 2.592 246 L HA 0.168 4.188 4.340 -0.533 0.000 0.227 246 L C 1.308 178.111 176.870 -0.112 0.000 1.127 246 L CA -0.088 54.561 54.840 -0.318 0.000 0.884 246 L CB 0.172 41.954 42.059 -0.462 0.000 1.065 246 L HN 0.514 nan 8.230 nan 0.000 0.457 247 G N -0.129 108.619 108.800 -0.087 0.000 2.535 247 G HA2 0.415 4.055 3.960 -0.533 0.000 0.303 247 G HA3 0.415 4.055 3.960 -0.533 0.000 0.303 247 G C -0.255 174.579 174.900 -0.110 0.000 1.237 247 G CA -0.626 44.419 45.100 -0.091 0.000 0.986 247 G HN 0.033 nan 8.290 nan 0.000 0.494 248 R N -0.418 119.931 120.500 -0.252 0.000 2.531 248 R HA 0.244 4.264 4.340 -0.533 0.000 0.273 248 R C -0.400 175.792 176.300 -0.180 0.000 1.070 248 R CA -0.279 55.618 56.100 -0.339 0.000 1.112 248 R CB 0.535 30.292 30.300 -0.904 0.000 1.049 248 R HN 0.604 nan 8.270 nan 0.000 0.508 249 D N 1.302 121.670 120.400 -0.054 0.000 2.947 249 D HA -0.218 4.102 4.640 -0.533 0.000 0.224 249 D C -0.839 175.468 176.300 0.011 0.000 1.132 249 D CA 0.829 54.862 54.000 0.054 0.000 0.801 249 D CB -1.204 39.682 40.800 0.145 0.000 1.097 249 D HN 0.956 nan 8.370 nan 0.000 0.431 250 N N -0.419 118.276 118.700 -0.007 0.000 2.708 250 N HA -0.243 4.177 4.740 -0.533 0.000 0.255 250 N C -0.808 174.687 175.510 -0.026 0.000 1.046 250 N CA 0.925 53.969 53.050 -0.009 0.000 0.715 250 N CB -0.710 37.778 38.487 0.001 0.000 0.895 250 N HN 0.366 nan 8.380 nan 0.000 0.545 251 S N 0.602 116.273 115.700 -0.048 0.000 2.442 251 S HA 0.268 4.418 4.470 -0.533 0.000 0.297 251 S C -0.134 174.429 174.600 -0.062 0.000 1.131 251 S CA -0.637 57.527 58.200 -0.061 0.000 1.092 251 S CB 1.777 64.921 63.200 -0.092 0.000 0.998 251 S HN 0.293 nan 8.310 nan 0.000 0.478 252 E N 2.614 122.784 120.200 -0.050 0.000 2.360 252 E HA 0.196 4.227 4.350 -0.533 0.000 0.269 252 E C -0.050 176.521 176.600 -0.049 0.000 1.022 252 E CA -0.437 55.939 56.400 -0.041 0.000 0.887 252 E CB 0.654 30.340 29.700 -0.022 0.000 0.990 252 E HN 0.710 nan 8.360 nan 0.000 0.426 253 L N 3.596 124.788 121.223 -0.052 0.000 2.456 253 L HA 0.107 4.127 4.340 -0.533 0.000 0.272 253 L C -0.371 176.454 176.870 -0.075 0.000 1.189 253 L CA 0.152 54.936 54.840 -0.094 0.000 0.846 253 L CB 0.630 42.619 42.059 -0.117 0.000 1.111 253 L HN 0.381 nan 8.230 nan 0.000 0.475 254 E N 3.679 123.781 120.200 -0.165 0.000 2.214 254 E HA 0.279 4.309 4.350 -0.533 0.000 0.274 254 E C -1.530 174.914 176.600 -0.260 0.000 0.977 254 E CA -0.230 56.110 56.400 -0.101 0.000 0.827 254 E CB 1.149 30.812 29.700 -0.062 0.000 1.130 254 E HN 0.638 nan 8.360 nan 0.000 0.394 255 W N 1.015 122.319 121.300 0.006 0.000 2.761 255 W HA 0.446 4.786 4.660 -0.533 0.000 0.340 255 W C 0.590 177.144 176.519 0.058 0.000 1.072 255 W CA -0.559 56.807 57.345 0.035 0.000 1.215 255 W CB 1.624 31.081 29.460 -0.005 0.000 1.420 255 W HN 0.193 nan 8.180 nan 0.000 0.519 256 R N 0.633 121.344 120.500 0.353 0.000 2.930 256 R HA 0.347 4.368 4.340 -0.533 0.000 0.257 256 R C -0.684 175.688 176.300 0.120 0.000 1.107 256 R CA -1.404 54.835 56.100 0.231 0.000 0.999 256 R CB 1.732 32.175 30.300 0.238 0.000 1.209 256 R HN 0.434 nan 8.270 nan 0.000 0.486 257 E N 0.098 120.302 120.200 0.007 0.000 2.458 257 E HA -0.097 3.933 4.350 -0.533 0.000 0.264 257 E C 0.382 176.741 176.600 -0.402 0.000 1.097 257 E CA 0.632 56.904 56.400 -0.214 0.000 0.973 257 E CB 0.457 30.114 29.700 -0.072 0.000 0.963 257 E HN 0.442 nan 8.360 nan 0.000 0.451 258 H N 1.503 120.360 119.070 -0.355 0.000 2.333 258 H HA 0.101 4.337 4.556 -0.533 0.000 0.302 258 H C 1.362 176.571 175.328 -0.199 0.000 1.075 258 H CA 1.004 56.771 56.048 -0.469 0.000 1.348 258 H CB 0.043 29.529 29.762 -0.460 0.000 1.393 258 H HN 0.716 nan 8.280 nan 0.000 0.509 259 G N -0.301 108.471 108.800 -0.047 0.000 3.110 259 G HA2 -0.277 3.364 3.960 -0.533 0.000 0.238 259 G HA3 -0.277 3.364 3.960 -0.533 0.000 0.238 259 G C 0.516 175.208 174.900 -0.347 0.000 1.647 259 G CA 0.171 45.191 45.100 -0.135 0.000 1.146 259 G HN 0.302 nan 8.290 nan 0.000 0.545 260 F N 1.932 121.905 119.950 0.038 0.000 2.706 260 F HA 0.482 4.690 4.527 -0.532 0.000 0.308 260 F C 1.219 177.007 175.800 -0.019 0.000 1.095 260 F CA 0.346 58.350 58.000 0.008 0.000 1.244 260 F CB 0.843 39.849 39.000 0.011 0.000 1.063 260 F HN 0.013 nan 8.300 nan 0.000 0.582 261 K N 1.326 121.800 120.400 0.122 0.000 2.265 261 K HA 0.281 4.281 4.320 -0.533 0.000 0.267 261 K C -0.716 175.833 176.600 -0.085 0.000 0.994 261 K CA -0.563 55.741 56.287 0.028 0.000 0.860 261 K CB 0.791 33.314 32.500 0.038 0.000 1.099 261 K HN -0.075 nan 8.250 nan 0.000 0.448 262 N N 0.382 118.979 118.700 -0.170 0.000 2.513 262 N HA 0.268 4.689 4.740 -0.533 0.000 0.274 262 N C 0.785 176.115 175.510 -0.300 0.000 1.189 262 N CA 0.674 53.476 53.050 -0.413 0.000 0.975 262 N CB 1.267 39.536 38.487 -0.363 0.000 1.157 262 N HN 0.749 nan 8.380 nan 0.000 0.465 263 G N -1.258 107.312 108.800 -0.383 0.000 2.141 263 G HA2 -0.208 3.432 3.960 -0.533 0.000 0.242 263 G HA3 -0.208 3.432 3.960 -0.533 0.000 0.242 263 G C -0.597 174.318 174.900 0.026 0.000 0.982 263 G CA 0.329 45.419 45.100 -0.016 0.000 0.662 263 G HN 0.472 nan 8.290 nan 0.000 0.527 264 V N -0.328 119.436 119.914 -0.249 0.000 2.604 264 V HA 0.886 4.686 4.120 -0.533 0.000 0.305 264 V C -0.245 175.288 176.094 -0.936 0.000 1.043 264 V CA -1.023 61.065 62.300 -0.353 0.000 0.888 264 V CB 1.537 33.185 31.823 -0.292 0.000 0.995 264 V HN 0.238 nan 8.190 nan 0.000 0.429 265 F N 2.518 122.260 119.950 -0.347 0.000 2.620 265 F HA 0.788 4.996 4.527 -0.532 0.000 0.320 265 F C -0.616 174.904 175.800 -0.467 0.000 1.069 265 F CA -0.814 56.992 58.000 -0.324 0.000 0.953 265 F CB 2.135 41.189 39.000 0.089 0.000 1.322 265 F HN 0.304 nan 8.300 nan 0.000 0.479 266 F N 0.838 120.973 119.950 0.309 0.000 2.556 266 F HA 0.777 4.984 4.527 -0.533 0.000 0.314 266 F C -0.168 175.508 175.800 -0.207 0.000 1.106 266 F CA -0.981 57.042 58.000 0.038 0.000 0.911 266 F CB 2.058 41.052 39.000 -0.009 0.000 1.190 266 F HN 0.563 nan 8.300 nan 0.000 0.448 267 A N 2.737 125.374 122.820 -0.305 0.000 2.413 267 A HA 0.864 4.864 4.320 -0.533 0.000 0.307 267 A C -1.280 176.069 177.584 -0.390 0.000 1.087 267 A CA -0.664 50.900 52.037 -0.788 0.000 0.750 267 A CB 1.867 19.958 19.000 -1.514 0.000 1.296 267 A HN 0.773 nan 8.150 nan 0.000 0.423 268 Q N -0.440 119.151 119.800 -0.347 0.000 2.421 268 Q HA 0.698 4.718 4.340 -0.533 0.000 0.280 268 Q C -1.022 174.873 176.000 -0.176 0.000 1.085 268 Q CA -0.929 54.763 55.803 -0.186 0.000 0.807 268 Q CB 2.715 31.390 28.738 -0.106 0.000 1.405 268 Q HN 1.045 nan 8.270 nan 0.000 0.419 269 A N 1.609 124.366 122.820 -0.106 0.000 2.374 269 A HA 0.534 4.535 4.320 -0.533 0.000 0.305 269 A C -1.025 176.530 177.584 -0.048 0.000 1.053 269 A CA -0.842 51.141 52.037 -0.091 0.000 0.726 269 A CB 1.023 19.977 19.000 -0.077 0.000 1.229 269 A HN 0.705 nan 8.150 nan 0.000 0.431 270 K N 1.373 121.739 120.400 -0.056 0.000 2.368 270 K HA 0.521 4.521 4.320 -0.533 0.000 0.282 270 K C 0.876 177.313 176.600 -0.271 0.000 1.035 270 K CA 0.718 56.998 56.287 -0.010 0.000 0.973 270 K CB 0.611 33.064 32.500 -0.079 0.000 0.957 270 K HN 2.000 nan 8.250 nan 0.000 0.474 271 G N 2.699 111.359 108.800 -0.234 0.000 2.175 271 G HA2 -0.258 3.383 3.960 -0.533 0.000 0.244 271 G HA3 -0.258 3.383 3.960 -0.533 0.000 0.244 271 G C -0.331 174.470 174.900 -0.164 0.000 0.982 271 G CA 0.212 45.004 45.100 -0.514 0.000 0.641 271 G HN 0.683 nan 8.290 nan 0.000 0.527 272 R N -0.757 119.713 120.500 -0.051 0.000 2.808 272 R HA 0.778 4.798 4.340 -0.533 0.000 0.272 272 R C -0.653 175.682 176.300 0.058 0.000 0.995 272 R CA -1.017 55.103 56.100 0.035 0.000 0.917 272 R CB 1.452 31.785 30.300 0.055 0.000 1.217 272 R HN 0.140 nan 8.270 nan 0.000 0.471 273 L N 2.097 123.370 121.223 0.083 0.000 2.325 273 L HA 0.601 4.621 4.340 -0.533 0.000 0.278 273 L C -0.371 176.524 176.870 0.042 0.000 1.023 273 L CA -0.835 54.044 54.840 0.064 0.000 0.811 273 L CB 1.494 43.608 42.059 0.091 0.000 1.249 273 L HN 0.408 nan 8.230 nan 0.000 0.431 274 I N 4.153 124.728 120.570 0.009 0.000 2.382 274 I HA 0.387 4.237 4.170 -0.533 0.000 0.286 274 I C -0.701 175.421 176.117 0.008 0.000 1.002 274 I CA -0.364 60.936 61.300 0.001 0.000 1.135 274 I CB 1.756 39.736 38.000 -0.033 0.000 1.288 274 I HN 0.343 nan 8.210 nan 0.000 0.448 275 I N 4.894 125.483 120.570 0.031 0.000 2.448 275 I HA 0.223 4.074 4.170 -0.533 0.000 0.281 275 I C -0.472 175.720 176.117 0.126 0.000 1.027 275 I CA -0.411 60.944 61.300 0.093 0.000 1.111 275 I CB 1.424 39.522 38.000 0.163 0.000 1.236 275 I HN 0.600 nan 8.210 nan 0.000 0.452 276 D N 3.882 124.335 120.400 0.088 0.000 2.255 276 D HA 0.374 4.694 4.640 -0.533 0.000 0.249 276 D C 1.416 177.700 176.300 -0.028 0.000 1.078 276 D CA -0.292 53.724 54.000 0.027 0.000 0.896 276 D CB 2.024 42.808 40.800 -0.026 0.000 1.194 276 D HN 0.622 nan 8.370 nan 0.000 0.429 277 G N 2.816 111.562 108.800 -0.091 0.000 2.418 277 G HA2 -0.234 3.407 3.960 -0.533 0.000 0.217 277 G HA3 -0.234 3.407 3.960 -0.533 0.000 0.217 277 G C 1.450 175.947 174.900 -0.672 0.000 1.158 277 G CA 0.804 45.713 45.100 -0.319 0.000 0.771 277 G HN 0.657 nan 8.290 nan 0.000 0.545 278 I N 0.591 120.578 120.570 -0.971 0.000 2.163 278 I HA -0.148 3.702 4.170 -0.533 0.000 0.243 278 I C 2.721 178.484 176.117 -0.590 0.000 1.085 278 I CA 1.219 62.047 61.300 -0.786 0.000 1.347 278 I CB -0.118 37.452 38.000 -0.718 0.000 1.044 278 I HN 0.045 nan 8.210 nan 0.000 0.408 279 E N 0.819 120.782 120.200 -0.395 0.000 2.072 279 E HA -0.093 3.937 4.350 -0.533 0.000 0.190 279 E C 2.380 178.703 176.600 -0.462 0.000 0.982 279 E CA 1.369 57.590 56.400 -0.298 0.000 0.803 279 E CB -0.419 29.260 29.700 -0.035 0.000 0.755 279 E HN 0.486 nan 8.360 nan 0.000 0.453 280 A N 0.765 123.353 122.820 -0.386 0.000 1.969 280 A HA -0.132 3.868 4.320 -0.533 0.000 0.218 280 A C 2.175 179.518 177.584 -0.401 0.000 1.169 280 A CA 0.963 52.717 52.037 -0.471 0.000 0.635 280 A CB -0.373 18.511 19.000 -0.193 0.000 0.810 280 A HN 0.152 nan 8.150 nan 0.000 0.445 281 L N -0.256 120.783 121.223 -0.306 0.000 2.072 281 L HA -0.041 3.979 4.340 -0.533 0.000 0.205 281 L C 2.283 179.179 176.870 0.043 0.000 1.079 281 L CA 1.815 56.591 54.840 -0.106 0.000 0.752 281 L CB -0.534 41.568 42.059 0.071 0.000 0.906 281 L HN 0.307 nan 8.230 nan 0.000 0.436 282 K N -1.322 119.023 120.400 -0.092 0.000 2.209 282 K HA -0.140 3.860 4.320 -0.533 0.000 0.204 282 K C 2.272 178.692 176.600 -0.301 0.000 1.048 282 K CA 1.318 57.541 56.287 -0.106 0.000 0.940 282 K CB -0.221 32.124 32.500 -0.259 0.000 0.729 282 K HN 0.269 nan 8.250 nan 0.000 0.451 283 S N 0.536 115.986 115.700 -0.418 0.000 2.447 283 S HA -0.061 4.089 4.470 -0.533 0.000 0.233 283 S C 1.592 175.787 174.600 -0.676 0.000 1.006 283 S CA 0.964 58.858 58.200 -0.510 0.000 0.957 283 S CB 0.026 62.890 63.200 -0.561 0.000 0.773 283 S HN 0.314 nan 8.310 nan 0.000 0.507 284 A N -0.226 122.238 122.820 -0.593 0.000 2.460 284 A HA 0.554 4.554 4.320 -0.533 0.000 0.258 284 A C 0.370 177.793 177.584 -0.269 0.000 1.300 284 A CA -0.463 51.161 52.037 -0.690 0.000 0.913 284 A CB -0.934 17.625 19.000 -0.735 0.000 1.031 284 A HN 0.617 nan 8.150 nan 0.000 0.512 285 F N -3.775 116.121 119.950 -0.090 0.000 3.091 285 F HA -0.238 3.969 4.527 -0.534 0.000 0.288 285 F C 0.053 175.757 175.800 -0.160 0.000 0.907 285 F CA 0.170 58.114 58.000 -0.093 0.000 1.028 285 F CB -2.542 36.380 39.000 -0.130 0.000 1.022 285 F HN 0.470 nan 8.300 nan 0.000 0.665 286 W N 1.577 122.858 121.300 -0.033 0.000 2.261 286 W HA 0.472 4.812 4.660 -0.533 0.000 0.323 286 W C 0.640 177.052 176.519 -0.177 0.000 1.243 286 W CA -0.160 57.091 57.345 -0.157 0.000 1.210 286 W CB 0.552 29.981 29.460 -0.052 0.000 1.149 286 W HN -0.039 nan 8.180 nan 0.000 0.562 287 N N 2.965 121.504 118.700 -0.268 0.000 2.354 287 N HA 0.441 4.861 4.740 -0.533 0.000 0.287 287 N C -1.639 173.483 175.510 -0.648 0.000 1.016 287 N CA -0.494 52.419 53.050 -0.227 0.000 0.871 287 N CB 1.529 39.951 38.487 -0.108 0.000 1.299 287 N HN 0.106 nan 8.380 nan 0.000 0.482 288 F N -0.151 119.700 119.950 -0.164 0.000 2.603 288 F HA 0.235 4.442 4.527 -0.533 0.000 0.317 288 F C 1.763 177.471 175.800 -0.154 0.000 1.066 288 F CA -0.761 57.080 58.000 -0.267 0.000 0.941 288 F CB 1.550 40.163 39.000 -0.645 0.000 1.291 288 F HN 0.393 nan 8.300 nan 0.000 0.472 289 S N 0.403 116.178 115.700 0.126 0.000 2.368 289 S HA -0.059 4.091 4.470 -0.533 0.000 0.225 289 S C 0.651 175.314 174.600 0.104 0.000 1.030 289 S CA 1.398 59.652 58.200 0.090 0.000 0.999 289 S CB -0.191 63.053 63.200 0.073 0.000 0.844 289 S HN 0.664 nan 8.310 nan 0.000 0.459 290 S N -1.648 114.103 115.700 0.085 0.000 2.556 290 S HA 0.638 4.788 4.470 -0.533 0.000 0.271 290 S C -1.082 173.563 174.600 0.075 0.000 1.135 290 S CA -0.759 57.519 58.200 0.131 0.000 0.858 290 S CB 0.955 64.223 63.200 0.114 0.000 1.114 290 S HN 0.211 nan 8.310 nan 0.000 0.468 291 F N 2.797 122.871 119.950 0.206 0.000 2.730 291 F HA 0.328 4.535 4.527 -0.533 0.000 0.295 291 F C 1.325 177.328 175.800 0.338 0.000 1.143 291 F CA -0.161 57.991 58.000 0.254 0.000 1.367 291 F CB 0.262 39.400 39.000 0.231 0.000 0.970 291 F HN 0.642 nan 8.300 nan 0.000 0.514 292 S N -0.655 115.227 115.700 0.304 0.000 2.624 292 S HA 0.144 4.294 4.470 -0.533 0.000 0.263 292 S C 1.137 175.710 174.600 -0.046 0.000 1.287 292 S CA -0.672 57.663 58.200 0.226 0.000 0.990 292 S CB 1.175 64.429 63.200 0.090 0.000 0.950 292 S HN 0.231 nan 8.310 nan 0.000 0.561 293 L N 0.652 121.657 121.223 -0.363 0.000 2.093 293 L HA 0.060 4.080 4.340 -0.533 0.000 0.208 293 L C 2.521 179.081 176.870 -0.517 0.000 1.085 293 L CA 2.121 56.433 54.840 -0.880 0.000 0.755 293 L CB -1.262 40.296 42.059 -0.835 0.000 0.904 293 L HN 0.977 nan 8.230 nan 0.000 0.435 294 E N -1.077 118.951 120.200 -0.287 0.000 2.051 294 E HA -0.179 3.851 4.350 -0.533 0.000 0.192 294 E C 1.990 178.480 176.600 -0.185 0.000 0.991 294 E CA 2.067 58.348 56.400 -0.199 0.000 0.799 294 E CB -0.348 29.291 29.700 -0.103 0.000 0.748 294 E HN 0.472 nan 8.360 nan 0.000 0.449 295 T N -0.221 114.236 114.554 -0.160 0.000 2.777 295 T HA -0.085 3.945 4.350 -0.533 0.000 0.266 295 T C 1.868 176.430 174.700 -0.230 0.000 1.040 295 T CA 1.363 63.383 62.100 -0.135 0.000 1.141 295 T CB -0.260 68.566 68.868 -0.070 0.000 0.868 295 T HN 0.019 nan 8.240 nan 0.000 0.444 296 V N 1.628 121.304 119.914 -0.397 0.000 2.358 296 V HA -0.085 3.715 4.120 -0.533 0.000 0.246 296 V C 2.855 178.675 176.094 -0.456 0.000 1.047 296 V CA 1.583 63.498 62.300 -0.640 0.000 1.035 296 V CB -1.112 30.238 31.823 -0.787 0.000 0.658 296 V HN 0.506 nan 8.190 nan 0.000 0.452 297 A N -0.485 122.087 122.820 -0.413 0.000 1.929 297 A HA -0.221 3.779 4.320 -0.533 0.000 0.216 297 A C 2.168 179.644 177.584 -0.179 0.000 1.176 297 A CA 1.803 53.664 52.037 -0.294 0.000 0.628 297 A CB -0.425 18.386 19.000 -0.314 0.000 0.816 297 A HN 0.509 nan 8.150 nan 0.000 0.444 298 Q N 0.051 119.753 119.800 -0.163 0.000 2.079 298 Q HA -0.119 3.901 4.340 -0.533 0.000 0.200 298 Q C 1.802 177.772 176.000 -0.049 0.000 0.974 298 Q CA 2.180 57.928 55.803 -0.091 0.000 0.840 298 Q CB -0.263 28.429 28.738 -0.077 0.000 0.898 298 Q HN 0.730 nan 8.270 nan 0.000 0.430 299 E N -1.119 119.055 120.200 -0.043 0.000 2.072 299 E HA -0.099 3.932 4.350 -0.533 0.000 0.190 299 E C 1.561 178.198 176.600 0.062 0.000 0.982 299 E CA 0.773 57.196 56.400 0.039 0.000 0.803 299 E CB 0.080 29.856 29.700 0.126 0.000 0.755 299 E HN 0.217 nan 8.360 nan 0.000 0.453 300 L N -0.232 121.003 121.223 0.021 0.000 2.095 300 L HA -0.059 3.961 4.340 -0.533 0.000 0.204 300 L C 1.816 178.697 176.870 0.018 0.000 1.080 300 L CA 1.577 56.440 54.840 0.039 0.000 0.759 300 L CB -0.074 41.967 42.059 -0.031 0.000 0.914 300 L HN 0.153 nan 8.230 nan 0.000 0.439 301 L N -2.884 118.326 121.223 -0.022 0.000 2.717 301 L HA 0.435 4.455 4.340 -0.533 0.000 0.239 301 L C 1.427 178.289 176.870 -0.015 0.000 1.086 301 L CA 0.558 55.389 54.840 -0.015 0.000 0.897 301 L CB -0.098 41.939 42.059 -0.036 0.000 1.214 301 L HN 0.257 nan 8.230 nan 0.000 0.508 302 G N 0.753 109.538 108.800 -0.025 0.000 2.141 302 G HA2 -0.221 3.419 3.960 -0.533 0.000 0.242 302 G HA3 -0.221 3.419 3.960 -0.533 0.000 0.242 302 G C -0.051 174.831 174.900 -0.030 0.000 0.982 302 G CA -0.068 45.021 45.100 -0.020 0.000 0.662 302 G HN 0.412 nan 8.290 nan 0.000 0.527 303 E N -0.484 119.686 120.200 -0.050 0.000 2.256 303 E HA 0.588 4.619 4.350 -0.533 0.000 0.267 303 E C 0.692 177.244 176.600 -0.081 0.000 0.892 303 E CA -0.400 55.966 56.400 -0.055 0.000 0.775 303 E CB 1.740 31.407 29.700 -0.056 0.000 1.207 303 E HN 0.350 nan 8.360 nan 0.000 0.420 304 G N 0.765 109.524 108.800 -0.068 0.000 2.557 304 G HA2 0.090 3.731 3.960 -0.533 0.000 0.292 304 G HA3 0.090 3.731 3.960 -0.533 0.000 0.292 304 G C 0.457 175.294 174.900 -0.105 0.000 1.237 304 G CA -0.323 44.730 45.100 -0.079 0.000 0.978 304 G HN 0.432 nan 8.290 nan 0.000 0.498 305 K N -1.008 119.322 120.400 -0.115 0.000 2.097 305 K HA 0.052 4.052 4.320 -0.533 0.000 0.206 305 K C 1.096 177.598 176.600 -0.163 0.000 1.049 305 K CA 1.461 57.637 56.287 -0.186 0.000 0.933 305 K CB 0.014 32.426 32.500 -0.148 0.000 0.717 305 K HN 0.363 nan 8.250 nan 0.000 0.442 306 S N -3.095 112.606 115.700 0.002 0.000 3.860 306 S HA 0.013 4.164 4.470 -0.533 0.000 0.270 306 S C 0.966 175.635 174.600 0.115 0.000 1.162 306 S CA 0.017 58.280 58.200 0.104 0.000 1.725 306 S CB -1.005 62.420 63.200 0.375 0.000 1.541 306 S HN 0.020 nan 8.310 nan 0.000 0.281 307 I N 1.241 121.900 120.570 0.148 0.000 2.286 307 I HA 0.151 4.001 4.170 -0.533 0.000 0.248 307 I C 1.081 177.240 176.117 0.070 0.000 1.115 307 I CA 2.789 64.138 61.300 0.080 0.000 1.392 307 I CB -1.644 36.387 38.000 0.051 0.000 1.065 307 I HN 0.934 nan 8.210 nan 0.000 0.418 308 D N 0.685 121.145 120.400 0.100 0.000 2.686 308 D HA -0.213 4.107 4.640 -0.533 0.000 0.235 308 D C 0.111 176.446 176.300 0.058 0.000 1.160 308 D CA 0.822 54.870 54.000 0.078 0.000 0.645 308 D CB -1.536 39.295 40.800 0.052 0.000 1.039 308 D HN 0.779 nan 8.370 nan 0.000 0.423 309 N N 0.145 118.882 118.700 0.060 0.000 2.414 309 N HA 0.204 4.624 4.740 -0.533 0.000 0.256 309 N C -1.715 173.852 175.510 0.096 0.000 1.029 309 N CA -1.975 51.118 53.050 0.072 0.000 0.948 309 N CB 1.426 39.958 38.487 0.075 0.000 1.102 309 N HN 0.001 nan 8.380 nan 0.000 0.496 310 P HA -0.087 nan 4.420 nan 0.000 0.218 310 P C 1.447 178.828 177.300 0.134 0.000 1.149 310 P CA 0.812 63.975 63.100 0.105 0.000 0.817 310 P CB 0.106 31.865 31.700 0.099 0.000 0.785 311 W N 1.680 122.967 121.300 -0.022 0.000 2.381 311 W HA -0.120 4.220 4.660 -0.533 0.000 0.301 311 W C -0.011 176.493 176.519 -0.024 0.000 1.205 311 W CA 1.746 59.073 57.345 -0.030 0.000 1.285 311 W CB -0.305 29.129 29.460 -0.044 0.000 1.133 311 W HN 0.012 nan 8.180 nan 0.000 0.521 312 D N -0.657 119.851 120.400 0.180 0.000 2.339 312 D HA -0.018 4.302 4.640 -0.533 0.000 0.217 312 D C 1.982 178.272 176.300 -0.017 0.000 1.050 312 D CA 0.123 54.164 54.000 0.068 0.000 0.856 312 D CB -0.290 40.579 40.800 0.115 0.000 0.922 312 D HN 0.064 nan 8.370 nan 0.000 0.518 313 R N 0.399 120.885 120.500 -0.023 0.000 2.081 313 R HA -0.152 3.869 4.340 -0.533 0.000 0.235 313 R C 1.793 178.046 176.300 -0.078 0.000 1.131 313 R CA 1.068 57.136 56.100 -0.054 0.000 0.960 313 R CB -0.052 30.238 30.300 -0.016 0.000 0.856 313 R HN 0.119 nan 8.270 nan 0.000 0.436 314 M N 0.970 120.514 119.600 -0.093 0.000 2.132 314 M HA -0.102 4.059 4.480 -0.533 0.000 0.263 314 M C 1.068 177.336 176.300 -0.053 0.000 1.065 314 M CA 1.775 57.026 55.300 -0.080 0.000 1.122 314 M CB -0.222 32.300 32.600 -0.129 0.000 1.365 314 M HN 0.032 nan 8.290 nan 0.000 0.411 315 D N -0.458 119.900 120.400 -0.069 0.000 2.123 315 D HA -0.149 4.171 4.640 -0.533 0.000 0.200 315 D C 1.923 178.208 176.300 -0.025 0.000 0.976 315 D CA 1.356 55.335 54.000 -0.035 0.000 0.831 315 D CB -0.285 40.496 40.800 -0.033 0.000 0.974 315 D HN 0.508 nan 8.370 nan 0.000 0.469 316 E N 0.824 120.997 120.200 -0.045 0.000 2.110 316 E HA -0.109 3.921 4.350 -0.533 0.000 0.193 316 E C 2.057 178.602 176.600 -0.092 0.000 0.988 316 E CA 0.773 57.135 56.400 -0.063 0.000 0.804 316 E CB -0.380 29.270 29.700 -0.083 0.000 0.745 316 E HN 0.265 nan 8.360 nan 0.000 0.458 317 I N 0.743 121.250 120.570 -0.106 0.000 2.286 317 I HA -0.237 3.613 4.170 -0.533 0.000 0.248 317 I C 1.614 177.691 176.117 -0.068 0.000 1.115 317 I CA 1.296 62.532 61.300 -0.107 0.000 1.392 317 I CB -0.322 37.655 38.000 -0.039 0.000 1.065 317 I HN 0.181 nan 8.210 nan 0.000 0.418 318 D N 0.539 120.947 120.400 0.013 0.000 2.084 318 D HA -0.207 4.113 4.640 -0.533 0.000 0.194 318 D C 2.195 178.506 176.300 0.018 0.000 0.990 318 D CA 1.163 55.197 54.000 0.056 0.000 0.826 318 D CB -0.278 40.578 40.800 0.094 0.000 0.971 318 D HN 0.287 nan 8.370 nan 0.000 0.453 319 R N 1.001 121.502 120.500 0.001 0.000 2.081 319 R HA -0.069 3.951 4.340 -0.533 0.000 0.235 319 R C 2.172 178.456 176.300 -0.027 0.000 1.131 319 R CA 1.022 57.119 56.100 -0.005 0.000 0.960 319 R CB -0.057 30.237 30.300 -0.010 0.000 0.856 319 R HN 0.055 nan 8.270 nan 0.000 0.436 320 R N -0.469 120.003 120.500 -0.047 0.000 2.083 320 R HA -0.164 3.856 4.340 -0.533 0.000 0.237 320 R C 2.215 178.484 176.300 -0.051 0.000 1.137 320 R CA 1.909 57.978 56.100 -0.051 0.000 0.951 320 R CB -0.491 29.770 30.300 -0.066 0.000 0.851 320 R HN 0.245 nan 8.270 nan 0.000 0.434 321 F N 1.096 120.892 119.950 -0.258 0.000 2.171 321 F HA -0.133 4.074 4.527 -0.533 0.000 0.300 321 F C 2.164 177.871 175.800 -0.155 0.000 1.090 321 F CA 1.231 59.047 58.000 -0.306 0.000 1.293 321 F CB -0.241 38.308 39.000 -0.751 0.000 1.013 321 F HN -0.010 nan 8.300 nan 0.000 0.486 322 A N 0.193 122.971 122.820 -0.071 0.000 1.898 322 A HA -0.163 3.837 4.320 -0.533 0.000 0.216 322 A C 1.877 179.383 177.584 -0.130 0.000 1.181 322 A CA 1.832 53.820 52.037 -0.081 0.000 0.620 322 A CB -0.604 18.403 19.000 0.012 0.000 0.819 322 A HN 0.640 nan 8.150 nan 0.000 0.442 323 E N -2.594 117.545 120.200 -0.101 0.000 2.702 323 E HA 0.155 4.185 4.350 -0.533 0.000 0.225 323 E C -1.019 175.539 176.600 -0.070 0.000 0.942 323 E CA 0.009 56.359 56.400 -0.083 0.000 1.210 323 E CB 0.480 30.151 29.700 -0.048 0.000 1.143 323 E HN 0.184 nan 8.360 nan 0.000 0.544 324 D N 1.099 121.456 120.400 -0.072 0.000 2.823 324 D HA 0.184 4.505 4.640 -0.533 0.000 0.255 324 D C 0.193 176.481 176.300 -0.021 0.000 1.257 324 D CA -0.166 53.813 54.000 -0.035 0.000 0.803 324 D CB 0.929 41.717 40.800 -0.020 0.000 1.384 324 D HN -0.038 nan 8.370 nan 0.000 0.541 325 K N 0.405 120.795 120.400 -0.018 0.000 2.097 325 K HA -0.029 3.971 4.320 -0.533 0.000 0.205 325 K C -1.050 175.595 176.600 0.074 0.000 1.050 325 K CA 1.018 57.323 56.287 0.030 0.000 0.938 325 K CB -0.104 32.440 32.500 0.074 0.000 0.718 325 K HN 0.250 nan 8.250 nan 0.000 0.442 326 P HA -0.145 nan 4.420 nan 0.000 0.218 326 P C 0.839 178.215 177.300 0.125 0.000 1.149 326 P CA 1.398 64.546 63.100 0.081 0.000 0.817 326 P CB 0.101 31.825 31.700 0.041 0.000 0.785 327 A N -0.915 121.957 122.820 0.086 0.000 1.969 327 A HA -0.138 3.862 4.320 -0.533 0.000 0.218 327 A C 2.053 179.701 177.584 0.107 0.000 1.169 327 A CA 1.148 53.238 52.037 0.088 0.000 0.635 327 A CB -1.499 17.525 19.000 0.040 0.000 0.810 327 A HN 0.137 nan 8.150 nan 0.000 0.445 328 L N -0.401 120.875 121.223 0.089 0.000 2.072 328 L HA 0.055 4.075 4.340 -0.533 0.000 0.205 328 L C 2.591 179.569 176.870 0.180 0.000 1.079 328 L CA 2.046 56.944 54.840 0.097 0.000 0.752 328 L CB -0.744 41.365 42.059 0.082 0.000 0.906 328 L HN 0.308 nan 8.230 nan 0.000 0.436 329 A N -1.941 120.985 122.820 0.177 0.000 1.929 329 A HA -0.135 3.865 4.320 -0.533 0.000 0.216 329 A C 2.262 179.925 177.584 0.133 0.000 1.176 329 A CA 1.879 54.025 52.037 0.181 0.000 0.628 329 A CB -1.054 18.116 19.000 0.284 0.000 0.816 329 A HN 0.450 nan 8.150 nan 0.000 0.444 330 T N -1.495 113.223 114.554 0.273 0.000 2.720 330 T HA -0.189 3.842 4.350 -0.533 0.000 0.268 330 T C 1.743 176.468 174.700 0.042 0.000 1.037 330 T CA 1.857 64.074 62.100 0.195 0.000 1.144 330 T CB -0.396 68.618 68.868 0.243 0.000 0.864 330 T HN 0.624 nan 8.240 nan 0.000 0.444 331 Y N 2.200 122.486 120.300 -0.024 0.000 2.200 331 Y HA -0.119 4.111 4.550 -0.533 0.000 0.290 331 Y C 2.464 178.317 175.900 -0.078 0.000 1.137 331 Y CA 1.464 59.538 58.100 -0.042 0.000 1.163 331 Y CB -0.402 38.052 38.460 -0.010 0.000 0.988 331 Y HN 0.100 nan 8.280 nan 0.000 0.518 332 N N 0.833 119.558 118.700 0.041 0.000 2.058 332 N HA -0.200 4.220 4.740 -0.533 0.000 0.191 332 N C 1.886 177.257 175.510 -0.232 0.000 1.037 332 N CA 1.749 54.753 53.050 -0.077 0.000 0.848 332 N CB -0.637 37.874 38.487 0.041 0.000 1.021 332 N HN 0.515 nan 8.380 nan 0.000 0.422 333 L N 1.115 122.146 121.223 -0.319 0.000 2.141 333 L HA -0.067 3.953 4.340 -0.533 0.000 0.209 333 L C 2.212 178.888 176.870 -0.323 0.000 1.094 333 L CA 1.577 56.175 54.840 -0.402 0.000 0.763 333 L CB -0.485 41.120 42.059 -0.756 0.000 0.908 333 L HN 0.117 nan 8.230 nan 0.000 0.437 334 K N -0.336 119.881 120.400 -0.306 0.000 2.097 334 K HA -0.176 3.824 4.320 -0.533 0.000 0.206 334 K C 1.848 178.289 176.600 -0.265 0.000 1.049 334 K CA 1.614 57.752 56.287 -0.249 0.000 0.933 334 K CB -0.177 32.188 32.500 -0.224 0.000 0.717 334 K HN 0.326 nan 8.250 nan 0.000 0.442 335 N N 0.238 118.738 118.700 -0.334 0.000 2.120 335 N HA -0.150 4.270 4.740 -0.533 0.000 0.188 335 N C 1.678 177.059 175.510 -0.214 0.000 1.024 335 N CA 1.574 54.436 53.050 -0.312 0.000 0.852 335 N CB -0.728 37.554 38.487 -0.341 0.000 1.003 335 N HN 0.299 nan 8.380 nan 0.000 0.424 336 C N 0.925 120.110 119.300 -0.191 0.000 2.435 336 C HA 0.008 4.148 4.460 -0.533 0.000 0.279 336 C C 2.462 177.374 174.990 -0.130 0.000 1.321 336 C CA 0.104 59.033 59.018 -0.149 0.000 1.752 336 C CB -0.877 26.770 27.740 -0.155 0.000 1.959 336 C HN 0.507 nan 8.230 nan 0.000 0.500 337 E N 0.877 120.993 120.200 -0.140 0.000 2.106 337 E HA -0.130 3.900 4.350 -0.533 0.000 0.192 337 E C 2.067 178.617 176.600 -0.083 0.000 0.984 337 E CA 0.940 57.284 56.400 -0.094 0.000 0.806 337 E CB -0.152 29.486 29.700 -0.103 0.000 0.750 337 E HN 0.634 nan 8.360 nan 0.000 0.458 338 L N 0.386 121.528 121.223 -0.136 0.000 2.046 338 L HA -0.174 3.846 4.340 -0.533 0.000 0.208 338 L C 2.441 179.238 176.870 -0.123 0.000 1.077 338 L CA 0.690 55.438 54.840 -0.154 0.000 0.747 338 L CB -0.424 41.488 42.059 -0.244 0.000 0.896 338 L HN 0.062 nan 8.230 nan 0.000 0.432 339 V N -0.557 119.292 119.914 -0.108 0.000 2.307 339 V HA -0.272 3.528 4.120 -0.533 0.000 0.245 339 V C 2.568 178.644 176.094 -0.030 0.000 1.045 339 V CA 2.341 64.628 62.300 -0.021 0.000 1.024 339 V CB -0.705 31.085 31.823 -0.055 0.000 0.651 339 V HN 0.458 nan 8.190 nan 0.000 0.449 340 T N -0.352 114.163 114.554 -0.064 0.000 2.759 340 T HA -0.244 3.786 4.350 -0.533 0.000 0.269 340 T C 1.892 176.694 174.700 0.169 0.000 1.042 340 T CA 1.526 63.645 62.100 0.032 0.000 1.140 340 T CB -0.248 68.689 68.868 0.115 0.000 0.864 340 T HN 0.565 nan 8.240 nan 0.000 0.455 341 Q N 0.043 119.934 119.800 0.151 0.000 2.172 341 Q HA 0.064 4.084 4.340 -0.533 0.000 0.200 341 Q C 2.341 178.441 176.000 0.166 0.000 0.964 341 Q CA 0.974 56.888 55.803 0.184 0.000 0.855 341 Q CB -0.268 28.517 28.738 0.078 0.000 0.918 341 Q HN 0.533 nan 8.270 nan 0.000 0.444 342 I N -0.211 120.434 120.570 0.126 0.000 2.353 342 I HA -0.203 3.647 4.170 -0.533 0.000 0.248 342 I C 1.742 177.931 176.117 0.120 0.000 1.119 342 I CA 0.817 62.164 61.300 0.078 0.000 1.417 342 I CB -0.126 37.917 38.000 0.072 0.000 1.078 342 I HN 0.032 nan 8.210 nan 0.000 0.421 343 F N 0.378 120.286 119.950 -0.070 0.000 2.234 343 F HA -0.195 4.013 4.527 -0.533 0.000 0.299 343 F C 2.598 178.402 175.800 0.006 0.000 1.087 343 F CA 1.363 59.273 58.000 -0.151 0.000 1.340 343 F CB -0.602 38.138 39.000 -0.433 0.000 1.031 343 F HN 0.146 nan 8.300 nan 0.000 0.500 344 H N -0.535 118.753 119.070 0.364 0.000 2.372 344 H HA -0.046 4.190 4.556 -0.533 0.000 0.301 344 H C 2.234 177.669 175.328 0.179 0.000 1.065 344 H CA 1.377 57.610 56.048 0.308 0.000 1.364 344 H CB -0.265 29.654 29.762 0.262 0.000 1.406 344 H HN 0.187 nan 8.280 nan 0.000 0.521 345 K N 0.625 121.173 120.400 0.247 0.000 2.155 345 K HA -0.081 3.919 4.320 -0.533 0.000 0.203 345 K C 1.958 178.645 176.600 0.145 0.000 1.052 345 K CA 1.536 57.921 56.287 0.164 0.000 0.948 345 K CB 0.186 32.753 32.500 0.111 0.000 0.728 345 K HN 0.326 nan 8.250 nan 0.000 0.448 346 T N -1.305 113.256 114.554 0.011 0.000 3.023 346 T HA -0.001 4.029 4.350 -0.533 0.000 0.266 346 T C 0.215 175.031 174.700 0.193 0.000 1.093 346 T CA 0.466 62.550 62.100 -0.027 0.000 1.129 346 T CB -0.012 68.525 68.868 -0.551 0.000 0.899 346 T HN 0.213 nan 8.240 nan 0.000 0.491 347 E N -0.483 119.815 120.200 0.164 0.000 2.791 347 E HA -0.179 3.851 4.350 -0.533 0.000 0.271 347 E C 0.663 177.380 176.600 0.195 0.000 1.044 347 E CA 0.511 57.044 56.400 0.222 0.000 0.814 347 E CB -2.019 27.829 29.700 0.247 0.000 1.400 347 E HN 0.556 nan 8.360 nan 0.000 0.423 348 I N -0.494 120.102 120.570 0.044 0.000 2.493 348 I HA -0.183 3.667 4.170 -0.533 0.000 0.254 348 I C 1.946 178.121 176.117 0.097 0.000 1.160 348 I CA 1.194 62.489 61.300 -0.007 0.000 1.445 348 I CB -0.043 37.749 38.000 -0.346 0.000 1.086 348 I HN 0.107 nan 8.210 nan 0.000 0.433 349 M N 0.931 120.589 119.600 0.097 0.000 2.132 349 M HA 0.004 4.164 4.480 -0.533 0.000 0.263 349 M C -0.448 175.966 176.300 0.190 0.000 1.065 349 M CA 1.576 56.969 55.300 0.156 0.000 1.122 349 M CB -2.354 30.400 32.600 0.256 0.000 1.365 349 M HN 0.104 nan 8.290 nan 0.000 0.411 350 P HA -0.155 nan 4.420 nan 0.000 0.218 350 P C 1.731 179.143 177.300 0.186 0.000 1.149 350 P CA 1.180 64.380 63.100 0.167 0.000 0.817 350 P CB -0.401 31.406 31.700 0.180 0.000 0.785 351 F N 0.795 120.807 119.950 0.102 0.000 2.146 351 F HA -0.088 4.119 4.527 -0.533 0.000 0.298 351 F C 2.132 177.995 175.800 0.105 0.000 1.096 351 F CA 1.264 59.329 58.000 0.109 0.000 1.275 351 F CB -0.797 38.274 39.000 0.118 0.000 1.008 351 F HN -0.312 nan 8.300 nan 0.000 0.480 352 L N -0.053 121.346 121.223 0.294 0.000 2.141 352 L HA -0.195 3.825 4.340 -0.533 0.000 0.209 352 L C 2.321 179.252 176.870 0.103 0.000 1.094 352 L CA 0.924 55.879 54.840 0.192 0.000 0.763 352 L CB -0.632 41.569 42.059 0.238 0.000 0.908 352 L HN 0.277 nan 8.230 nan 0.000 0.437 353 L N -0.792 120.485 121.223 0.091 0.000 2.109 353 L HA -0.152 3.868 4.340 -0.533 0.000 0.207 353 L C 2.446 179.414 176.870 0.163 0.000 1.086 353 L CA 0.780 55.684 54.840 0.108 0.000 0.760 353 L CB -0.272 41.712 42.059 -0.125 0.000 0.910 353 L HN 0.161 nan 8.230 nan 0.000 0.437 354 E N 0.245 120.469 120.200 0.041 0.000 2.107 354 E HA -0.186 3.845 4.350 -0.533 0.000 0.191 354 E C 2.264 178.838 176.600 -0.042 0.000 0.982 354 E CA 0.800 57.213 56.400 0.022 0.000 0.809 354 E CB 0.027 29.714 29.700 -0.023 0.000 0.756 354 E HN 0.163 nan 8.360 nan 0.000 0.459 355 R N -0.222 120.161 120.500 -0.196 0.000 2.092 355 R HA -0.049 3.971 4.340 -0.533 0.000 0.231 355 R C 2.014 178.297 176.300 -0.029 0.000 1.119 355 R CA 1.286 57.269 56.100 -0.195 0.000 0.970 355 R CB -0.228 29.845 30.300 -0.379 0.000 0.864 355 R HN 0.191 nan 8.270 nan 0.000 0.440 356 A N 0.043 122.886 122.820 0.039 0.000 2.015 356 A HA -0.078 3.922 4.320 -0.533 0.000 0.219 356 A C 2.071 179.697 177.584 0.069 0.000 1.163 356 A CA 1.711 53.794 52.037 0.075 0.000 0.646 356 A CB -0.617 18.474 19.000 0.153 0.000 0.806 356 A HN 0.421 nan 8.150 nan 0.000 0.448 357 T N -0.323 114.306 114.554 0.124 0.000 2.746 357 T HA -0.116 3.914 4.350 -0.533 0.000 0.267 357 T C 1.860 176.611 174.700 0.085 0.000 1.039 357 T CA 1.710 63.878 62.100 0.113 0.000 1.142 357 T CB -0.302 68.681 68.868 0.191 0.000 0.866 357 T HN 0.193 nan 8.240 nan 0.000 0.444 358 V N 1.915 121.878 119.914 0.082 0.000 2.379 358 V HA -0.095 3.706 4.120 -0.533 0.000 0.245 358 V C 2.490 178.644 176.094 0.101 0.000 1.044 358 V CA 1.272 63.629 62.300 0.095 0.000 1.036 358 V CB -0.588 31.280 31.823 0.076 0.000 0.664 358 V HN 0.372 nan 8.190 nan 0.000 0.453 359 N N 0.431 119.168 118.700 0.062 0.000 2.084 359 N HA -0.096 4.324 4.740 -0.533 0.000 0.190 359 N C 1.713 177.206 175.510 -0.028 0.000 1.030 359 N CA 1.846 54.925 53.050 0.048 0.000 0.849 359 N CB -0.356 38.145 38.487 0.023 0.000 1.012 359 N HN 0.584 nan 8.380 nan 0.000 0.423 360 G N -1.284 107.425 108.800 -0.152 0.000 2.176 360 G HA2 -0.242 3.399 3.960 -0.533 0.000 0.253 360 G HA3 -0.242 3.399 3.960 -0.533 0.000 0.253 360 G C 0.039 174.644 174.900 -0.492 0.000 0.979 360 G CA 0.565 45.318 45.100 -0.579 0.000 0.641 360 G HN 0.286 nan 8.290 nan 0.000 0.530 361 L N 0.167 121.275 121.223 -0.192 0.000 2.416 361 L HA 0.591 4.611 4.340 -0.533 0.000 0.263 361 L C -1.952 174.882 176.870 -0.060 0.000 1.065 361 L CA -2.421 52.356 54.840 -0.106 0.000 0.798 361 L CB 0.514 42.548 42.059 -0.042 0.000 1.267 361 L HN -0.187 nan 8.230 nan 0.000 0.467 362 P HA 0.060 nan 4.420 nan 0.000 0.271 362 P C 0.794 178.105 177.300 0.018 0.000 1.218 362 P CA -0.290 62.807 63.100 -0.005 0.000 0.780 362 P CB 0.940 32.622 31.700 -0.029 0.000 0.901 363 V N 1.604 121.571 119.914 0.088 0.000 2.407 363 V HA -0.226 3.574 4.120 -0.533 0.000 0.248 363 V C 1.954 178.068 176.094 0.034 0.000 1.055 363 V CA 1.847 64.222 62.300 0.124 0.000 1.049 363 V CB -0.896 31.055 31.823 0.213 0.000 0.662 363 V HN 0.624 nan 8.190 nan 0.000 0.455 364 D N 0.132 120.523 120.400 -0.013 0.000 2.133 364 D HA -0.173 4.147 4.640 -0.533 0.000 0.195 364 D C 1.554 177.670 176.300 -0.306 0.000 0.997 364 D CA 1.031 54.968 54.000 -0.106 0.000 0.840 364 D CB 0.006 40.757 40.800 -0.082 0.000 0.947 364 D HN 0.374 nan 8.370 nan 0.000 0.452 365 R N 0.336 120.681 120.500 -0.259 0.000 2.221 365 R HA 0.181 4.202 4.340 -0.533 0.000 0.327 365 R C -0.703 175.439 176.300 -0.262 0.000 1.033 365 R CA -0.272 55.634 56.100 -0.322 0.000 0.887 365 R CB 0.402 30.588 30.300 -0.190 0.000 1.057 365 R HN 0.102 nan 8.270 nan 0.000 0.455 366 H N 2.141 121.193 119.070 -0.030 0.000 2.495 366 H HA 0.430 4.665 4.556 -0.534 0.000 0.350 366 H C 1.203 176.527 175.328 -0.007 0.000 1.202 366 H CA 0.016 56.060 56.048 -0.006 0.000 1.322 366 H CB 1.496 31.251 29.762 -0.011 0.000 1.544 366 H HN 0.935 nan 8.280 nan 0.000 0.565 367 G N 0.293 109.184 108.800 0.152 0.000 2.565 367 G HA2 -0.233 3.407 3.960 -0.533 0.000 0.295 367 G HA3 -0.233 3.407 3.960 -0.533 0.000 0.295 367 G C 0.966 175.914 174.900 0.080 0.000 1.165 367 G CA 0.241 45.399 45.100 0.097 0.000 0.977 367 G HN 1.698 nan 8.290 nan 0.000 0.546 368 G N -1.433 107.406 108.800 0.065 0.000 2.314 368 G HA2 0.079 3.719 3.960 -0.533 0.000 0.292 368 G HA3 0.079 3.719 3.960 -0.533 0.000 0.292 368 G C 1.457 176.421 174.900 0.107 0.000 1.059 368 G CA 1.718 46.858 45.100 0.066 0.000 0.982 368 G HN 2.382 nan 8.290 nan 0.000 0.505 369 S N -1.760 114.013 115.700 0.121 0.000 2.382 369 S HA -0.147 4.003 4.470 -0.533 0.000 0.228 369 S C 2.299 177.032 174.600 0.223 0.000 1.027 369 S CA 1.734 60.041 58.200 0.178 0.000 0.991 369 S CB -0.218 63.072 63.200 0.149 0.000 0.823 369 S HN 0.851 nan 8.310 nan 0.000 0.469 370 V N 2.480 122.488 119.914 0.157 0.000 2.407 370 V HA -0.095 3.705 4.120 -0.533 0.000 0.248 370 V C 3.045 179.269 176.094 0.218 0.000 1.055 370 V CA 1.589 63.992 62.300 0.171 0.000 1.049 370 V CB -1.533 30.350 31.823 0.099 0.000 0.662 370 V HN 0.669 nan 8.190 nan 0.000 0.455 371 A N -0.036 122.882 122.820 0.163 0.000 1.929 371 A HA 0.082 4.082 4.320 -0.533 0.000 0.216 371 A C 2.401 180.099 177.584 0.190 0.000 1.176 371 A CA 1.610 53.729 52.037 0.138 0.000 0.628 371 A CB -0.608 18.441 19.000 0.082 0.000 0.816 371 A HN 0.530 nan 8.150 nan 0.000 0.444 372 A N -1.292 121.662 122.820 0.223 0.000 1.930 372 A HA -0.004 3.996 4.320 -0.533 0.000 0.217 372 A C 2.011 179.812 177.584 0.362 0.000 1.175 372 A CA 1.444 53.639 52.037 0.262 0.000 0.627 372 A CB -0.665 18.489 19.000 0.258 0.000 0.815 372 A HN 0.584 nan 8.150 nan 0.000 0.443 373 F N 1.020 121.132 119.950 0.269 0.000 2.186 373 F HA 0.011 4.215 4.527 -0.537 0.000 0.299 373 F C 2.310 178.264 175.800 0.257 0.000 1.090 373 F CA 1.396 59.526 58.000 0.215 0.000 1.307 373 F CB -0.470 38.632 39.000 0.171 0.000 1.019 373 F HN 0.223 nan 8.300 nan 0.000 0.489 374 G N -1.120 107.938 108.800 0.431 0.000 2.402 374 G HA2 -0.284 3.356 3.960 -0.533 0.000 0.216 374 G HA3 -0.284 3.356 3.960 -0.533 0.000 0.216 374 G C 1.774 176.732 174.900 0.097 0.000 1.162 374 G CA 0.914 46.202 45.100 0.313 0.000 0.777 374 G HN 0.455 nan 8.290 nan 0.000 0.539 375 H N 0.669 119.745 119.070 0.009 0.000 2.353 375 H HA 0.049 4.284 4.556 -0.534 0.000 0.300 375 H C 2.570 177.936 175.328 0.065 0.000 1.090 375 H CA 1.355 57.407 56.048 0.006 0.000 1.327 375 H CB -0.009 29.772 29.762 0.031 0.000 1.383 375 H HN 0.293 nan 8.280 nan 0.000 0.508 376 L N -1.050 120.306 121.223 0.222 0.000 2.179 376 L HA -0.143 3.877 4.340 -0.533 0.000 0.208 376 L C 2.309 179.219 176.870 0.067 0.000 1.096 376 L CA 0.803 55.739 54.840 0.161 0.000 0.779 376 L CB -0.421 41.721 42.059 0.138 0.000 0.922 376 L HN 0.185 nan 8.230 nan 0.000 0.443 377 Y N -0.718 119.481 120.300 -0.169 0.000 2.343 377 Y HA -0.032 4.196 4.550 -0.538 0.000 0.294 377 Y C 2.330 178.212 175.900 -0.030 0.000 1.122 377 Y CA 0.575 58.528 58.100 -0.244 0.000 1.173 377 Y CB -0.025 38.074 38.460 -0.600 0.000 1.077 377 Y HN -0.106 nan 8.280 nan 0.000 0.542 378 F N 1.643 121.595 119.950 0.004 0.000 2.063 378 F HA -0.259 3.948 4.527 -0.532 0.000 0.298 378 F C -0.331 175.298 175.800 -0.285 0.000 1.105 378 F CA 2.044 59.976 58.000 -0.112 0.000 1.215 378 F CB -2.047 36.972 39.000 0.031 0.000 0.972 378 F HN 0.121 nan 8.300 nan 0.000 0.483 379 P HA -0.187 nan 4.420 nan 0.000 0.216 379 P C 1.352 178.595 177.300 -0.094 0.000 1.150 379 P CA 1.855 64.884 63.100 -0.118 0.000 0.837 379 P CB -0.192 31.174 31.700 -0.557 0.000 0.786 380 R N -0.647 119.779 120.500 -0.123 0.000 2.115 380 R HA 0.030 4.050 4.340 -0.533 0.000 0.226 380 R C 2.683 178.830 176.300 -0.255 0.000 1.100 380 R CA 1.224 57.249 56.100 -0.125 0.000 0.980 380 R CB -0.796 29.391 30.300 -0.189 0.000 0.875 380 R HN 0.260 nan 8.270 nan 0.000 0.445 381 M N 0.119 119.449 119.600 -0.449 0.000 2.132 381 M HA -0.153 4.007 4.480 -0.533 0.000 0.263 381 M C 1.406 177.587 176.300 -0.198 0.000 1.065 381 M CA 1.862 56.942 55.300 -0.367 0.000 1.122 381 M CB -0.158 32.174 32.600 -0.447 0.000 1.365 381 M HN 0.172 nan 8.290 nan 0.000 0.411 382 H N -0.273 118.736 119.070 -0.102 0.000 2.387 382 H HA -0.047 4.191 4.556 -0.530 0.000 0.299 382 H C 2.078 177.363 175.328 -0.071 0.000 1.090 382 H CA 1.661 57.651 56.048 -0.096 0.000 1.332 382 H CB -0.032 29.678 29.762 -0.087 0.000 1.386 382 H HN 0.398 nan 8.280 nan 0.000 0.516 383 R N 0.172 120.706 120.500 0.056 0.000 2.148 383 R HA 0.005 4.025 4.340 -0.533 0.000 0.227 383 R C 2.177 178.475 176.300 -0.003 0.000 1.103 383 R CA 0.796 56.917 56.100 0.034 0.000 0.983 383 R CB 0.118 30.454 30.300 0.060 0.000 0.874 383 R HN 0.281 nan 8.270 nan 0.000 0.451 384 A N -0.663 122.148 122.820 -0.015 0.000 2.169 384 A HA 0.204 4.204 4.320 -0.533 0.000 0.212 384 A C 1.364 178.923 177.584 -0.043 0.000 1.153 384 A CA 0.901 52.935 52.037 -0.005 0.000 0.756 384 A CB 0.076 19.099 19.000 0.037 0.000 0.813 384 A HN 0.417 nan 8.150 nan 0.000 0.471 385 G N -2.960 105.796 108.800 -0.073 0.000 2.148 385 G HA2 -0.212 3.428 3.960 -0.533 0.000 0.203 385 G HA3 -0.212 3.428 3.960 -0.533 0.000 0.203 385 G C -0.161 174.505 174.900 -0.390 0.000 0.993 385 G CA 0.172 45.141 45.100 -0.218 0.000 0.661 385 G HN 0.386 nan 8.290 nan 0.000 0.518 386 Y N -0.792 119.480 120.300 -0.047 0.000 2.587 386 Y HA 0.711 4.948 4.550 -0.521 0.000 0.337 386 Y C 0.674 176.525 175.900 -0.081 0.000 1.065 386 Y CA -0.498 57.601 58.100 -0.001 0.000 1.126 386 Y CB 2.141 40.689 38.460 0.146 0.000 1.279 386 Y HN 0.587 nan 8.280 nan 0.000 0.489 387 V N -0.895 119.060 119.914 0.068 0.000 3.001 387 V HA 0.968 4.768 4.120 -0.533 0.000 0.314 387 V C -0.357 175.543 176.094 -0.323 0.000 1.099 387 V CA -1.488 60.671 62.300 -0.236 0.000 0.989 387 V CB 1.250 32.785 31.823 -0.480 0.000 1.040 387 V HN 0.924 nan 8.190 nan 0.000 0.434 388 A N 3.411 125.954 122.820 -0.462 0.000 2.388 388 A HA 0.725 4.726 4.320 -0.533 0.000 0.257 388 A C -2.191 175.064 177.584 -0.548 0.000 1.095 388 A CA -1.369 50.301 52.037 -0.611 0.000 0.791 388 A CB -0.291 18.340 19.000 -0.616 0.000 1.029 388 A HN 0.836 nan 8.150 nan 0.000 0.489 389 P HA 0.108 nan 4.420 nan 0.000 0.275 389 P C -0.633 176.585 177.300 -0.136 0.000 1.228 389 P CA -0.229 62.656 63.100 -0.358 0.000 0.786 389 P CB 0.559 32.027 31.700 -0.387 0.000 0.927 390 N N 0.999 119.762 118.700 0.106 0.000 2.445 390 N HA 0.213 4.633 4.740 -0.533 0.000 0.264 390 N C -0.048 175.487 175.510 0.040 0.000 1.227 390 N CA -0.840 52.264 53.050 0.091 0.000 0.963 390 N CB 0.356 38.924 38.487 0.135 0.000 1.188 390 N HN 0.292 nan 8.380 nan 0.000 0.491 391 L N 1.010 122.247 121.223 0.023 0.000 2.461 391 L HA 0.091 4.111 4.340 -0.533 0.000 0.272 391 L C 1.568 178.465 176.870 0.044 0.000 1.197 391 L CA 0.883 55.734 54.840 0.019 0.000 0.836 391 L CB -0.071 41.991 42.059 0.004 0.000 1.105 391 L HN 0.989 nan 8.230 nan 0.000 0.477 392 G N 2.418 111.251 108.800 0.055 0.000 2.143 392 G HA2 -0.295 3.345 3.960 -0.533 0.000 0.249 392 G HA3 -0.295 3.345 3.960 -0.533 0.000 0.249 392 G C 0.878 175.841 174.900 0.104 0.000 0.981 392 G CA 0.567 45.706 45.100 0.065 0.000 0.665 392 G HN 0.724 nan 8.290 nan 0.000 0.528 393 E N -1.009 119.273 120.200 0.136 0.000 2.358 393 E HA 0.304 4.335 4.350 -0.533 0.000 0.195 393 E C 0.870 177.582 176.600 0.187 0.000 1.010 393 E CA 0.778 57.283 56.400 0.174 0.000 0.856 393 E CB 0.231 30.053 29.700 0.202 0.000 0.795 393 E HN 0.396 nan 8.360 nan 0.000 0.504 394 V N 1.492 121.529 119.914 0.204 0.000 2.769 394 V HA 0.337 4.138 4.120 -0.533 0.000 0.312 394 V C -2.445 173.802 176.094 0.255 0.000 1.061 394 V CA -1.957 60.475 62.300 0.220 0.000 0.931 394 V CB 1.768 33.722 31.823 0.218 0.000 1.010 394 V HN 0.003 nan 8.190 nan 0.000 0.433 395 P HA 0.336 nan 4.420 nan 0.000 0.287 395 P C -2.687 174.729 177.300 0.194 0.000 1.281 395 P CA -1.506 61.688 63.100 0.157 0.000 0.781 395 P CB 0.314 32.107 31.700 0.155 0.000 0.903 396 P HA 0.159 nan 4.420 nan 0.000 0.271 396 P C -0.799 176.353 177.300 -0.247 0.000 1.226 396 P CA 0.315 63.469 63.100 0.090 0.000 0.765 396 P CB 0.556 32.211 31.700 -0.076 0.000 0.835 397 H N 0.156 119.392 119.070 0.277 0.000 2.985 397 H HA 0.654 4.892 4.556 -0.530 0.000 0.360 397 H C -0.567 174.868 175.328 0.178 0.000 1.221 397 H CA -0.817 55.326 56.048 0.158 0.000 1.121 397 H CB 1.789 31.614 29.762 0.105 0.000 1.854 397 H HN 0.475 nan 8.280 nan 0.000 0.551 398 A N 0.929 123.896 122.820 0.245 0.000 2.312 398 A HA 0.652 4.652 4.320 -0.533 0.000 0.328 398 A C -0.468 177.205 177.584 0.149 0.000 1.158 398 A CA -0.513 51.631 52.037 0.179 0.000 0.821 398 A CB 0.884 19.957 19.000 0.123 0.000 1.170 398 A HN 0.518 nan 8.150 nan 0.000 0.490 399 S N 1.916 117.700 115.700 0.139 0.000 2.549 399 S HA 0.705 4.856 4.470 -0.533 0.000 0.297 399 S C -2.111 172.549 174.600 0.100 0.000 1.115 399 S CA -0.816 57.441 58.200 0.095 0.000 1.059 399 S CB 0.971 64.231 63.200 0.099 0.000 1.046 399 S HN 0.739 nan 8.310 nan 0.000 0.506 400 P HA 0.446 nan 4.420 nan 0.000 0.279 400 P C 0.361 177.758 177.300 0.163 0.000 1.282 400 P CA -0.442 62.717 63.100 0.097 0.000 0.788 400 P CB 0.426 32.151 31.700 0.042 0.000 1.139 401 G N -1.180 107.753 108.800 0.222 0.000 3.434 401 G HA2 0.553 4.194 3.960 -0.533 0.000 0.197 401 G HA3 0.553 4.194 3.960 -0.533 0.000 0.197 401 G C -0.211 174.866 174.900 0.294 0.000 1.559 401 G CA -0.156 45.091 45.100 0.245 0.000 0.852 401 G HN 0.696 nan 8.290 nan 0.000 0.682 402 G N -1.376 107.512 108.800 0.146 0.000 2.417 402 G HA2 0.460 4.100 3.960 -0.533 0.000 0.334 402 G HA3 0.460 4.100 3.960 -0.533 0.000 0.334 402 G C -1.447 173.354 174.900 -0.165 0.000 1.150 402 G CA -0.472 44.628 45.100 -0.001 0.000 0.923 402 G HN 0.471 nan 8.290 nan 0.000 0.485 403 Y N 2.153 122.112 120.300 -0.567 0.000 2.359 403 Y HA 0.502 4.732 4.550 -0.533 0.000 0.334 403 Y C -0.559 175.206 175.900 -0.224 0.000 1.058 403 Y CA -0.997 56.833 58.100 -0.450 0.000 1.244 403 Y CB 1.175 39.322 38.460 -0.523 0.000 1.187 403 Y HN 0.249 nan 8.280 nan 0.000 0.510 404 V N 8.684 128.286 119.914 -0.521 0.000 2.378 404 V HA 0.273 4.073 4.120 -0.533 0.000 0.288 404 V C 0.198 175.818 176.094 -0.791 0.000 1.016 404 V CA -0.951 61.008 62.300 -0.568 0.000 0.840 404 V CB 1.069 32.766 31.823 -0.211 0.000 0.994 404 V HN 0.885 nan 8.190 nan 0.000 0.431 405 M N 2.616 121.609 119.600 -1.012 0.000 2.207 405 M HA 0.234 4.394 4.480 -0.533 0.000 0.311 405 M C -0.019 176.214 176.300 -0.111 0.000 1.127 405 M CA -0.024 54.912 55.300 -0.607 0.000 1.181 405 M CB 0.234 32.618 32.600 -0.360 0.000 1.409 405 M HN 0.534 nan 8.290 nan 0.000 0.461 406 D N 0.463 120.904 120.400 0.069 0.000 2.377 406 D HA 0.333 4.654 4.640 -0.533 0.000 0.245 406 D C -0.275 176.120 176.300 0.158 0.000 1.196 406 D CA -0.030 54.041 54.000 0.119 0.000 0.962 406 D CB 0.814 41.684 40.800 0.116 0.000 1.127 406 D HN 0.578 nan 8.370 nan 0.000 0.471 407 S N -0.029 115.743 115.700 0.122 0.000 2.568 407 S HA 0.559 4.709 4.470 -0.533 0.000 0.302 407 S C -0.367 174.254 174.600 0.037 0.000 1.082 407 S CA -1.054 57.190 58.200 0.074 0.000 1.009 407 S CB 2.048 65.172 63.200 -0.128 0.000 1.069 407 S HN 0.217 nan 8.310 nan 0.000 0.500 408 R N 2.536 123.056 120.500 0.034 0.000 2.198 408 R HA 0.531 4.551 4.340 -0.533 0.000 0.339 408 R C -2.709 173.617 176.300 0.043 0.000 1.020 408 R CA -2.066 54.070 56.100 0.060 0.000 0.864 408 R CB 1.044 31.407 30.300 0.105 0.000 1.105 408 R HN 0.625 nan 8.270 nan 0.000 0.463 409 P HA 0.613 nan 4.420 nan 0.000 0.285 409 P C -0.516 176.569 177.300 -0.358 0.000 1.280 409 P CA -0.307 62.726 63.100 -0.111 0.000 0.862 409 P CB 2.010 33.691 31.700 -0.032 0.000 1.153 410 G N -0.130 108.141 108.800 -0.882 0.000 2.359 410 G HA2 0.254 3.894 3.960 -0.533 0.000 0.314 410 G HA3 0.254 3.894 3.960 -0.533 0.000 0.314 410 G C -2.292 171.921 174.900 -1.145 0.000 1.364 410 G CA -0.772 43.446 45.100 -1.470 0.000 0.978 410 G HN 0.635 nan 8.290 nan 0.000 0.615 411 L N 0.571 121.232 121.223 -0.937 0.000 2.275 411 L HA 0.856 4.877 4.340 -0.533 0.000 0.288 411 L C -0.939 175.636 176.870 -0.493 0.000 1.046 411 L CA -1.084 53.481 54.840 -0.458 0.000 0.805 411 L CB 0.299 42.221 42.059 -0.228 0.000 1.193 411 L HN 0.563 nan 8.230 nan 0.000 0.426 412 Y N 2.164 122.348 120.300 -0.193 0.000 2.587 412 Y HA 0.542 4.773 4.550 -0.532 0.000 0.337 412 Y C -0.284 175.618 175.900 0.003 0.000 1.065 412 Y CA -0.815 57.175 58.100 -0.184 0.000 1.126 412 Y CB 1.564 39.840 38.460 -0.307 0.000 1.279 412 Y HN 0.490 nan 8.280 nan 0.000 0.489 413 D N 0.836 121.439 120.400 0.338 0.000 2.344 413 D HA 0.284 4.604 4.640 -0.533 0.000 0.239 413 D C -1.021 175.507 176.300 0.381 0.000 1.064 413 D CA -0.125 54.052 54.000 0.296 0.000 0.829 413 D CB 1.588 42.562 40.800 0.290 0.000 1.129 413 D HN 0.654 nan 8.370 nan 0.000 0.506 414 S N 0.152 116.002 115.700 0.250 0.000 3.394 414 S HA -0.113 4.037 4.470 -0.533 0.000 0.490 414 S C -0.277 174.480 174.600 0.260 0.000 0.702 414 S CA -0.207 58.154 58.200 0.268 0.000 1.358 414 S CB -0.743 62.716 63.200 0.431 0.000 1.128 414 S HN 0.349 nan 8.310 nan 0.000 0.775 415 V N 4.556 124.547 119.914 0.129 0.000 2.531 415 V HA 0.544 4.344 4.120 -0.533 0.000 0.301 415 V C 0.082 176.163 176.094 -0.021 0.000 1.034 415 V CA -0.896 61.390 62.300 -0.024 0.000 0.865 415 V CB 1.812 33.398 31.823 -0.395 0.000 0.995 415 V HN 0.635 nan 8.190 nan 0.000 0.424 416 L N 4.734 125.913 121.223 -0.073 0.000 2.379 416 L HA 0.608 4.628 4.340 -0.533 0.000 0.269 416 L C -0.099 176.597 176.870 -0.289 0.000 1.084 416 L CA 0.020 54.813 54.840 -0.077 0.000 0.802 416 L CB 1.782 43.795 42.059 -0.078 0.000 1.175 416 L HN 0.423 nan 8.230 nan 0.000 0.448 417 V N 4.027 123.724 119.914 -0.362 0.000 2.448 417 V HA 0.493 4.293 4.120 -0.533 0.000 0.295 417 V C -0.249 175.621 176.094 -0.373 0.000 1.025 417 V CA -0.633 61.304 62.300 -0.606 0.000 0.859 417 V CB 1.627 33.022 31.823 -0.713 0.000 0.988 417 V HN 0.457 nan 8.190 nan 0.000 0.431 418 L N 4.273 125.297 121.223 -0.332 0.000 2.346 418 L HA 0.712 4.732 4.340 -0.533 0.000 0.276 418 L C -0.570 176.170 176.870 -0.216 0.000 1.006 418 L CA -0.317 54.397 54.840 -0.210 0.000 0.817 418 L CB 1.986 43.950 42.059 -0.159 0.000 1.272 418 L HN 0.592 nan 8.230 nan 0.000 0.421 419 D N 1.067 121.343 120.400 -0.207 0.000 2.879 419 D HA 0.265 4.585 4.640 -0.533 0.000 0.236 419 D C -1.398 174.799 176.300 -0.172 0.000 1.171 419 D CA -0.446 53.465 54.000 -0.147 0.000 0.868 419 D CB 2.157 42.879 40.800 -0.129 0.000 1.598 419 D HN 0.243 nan 8.370 nan 0.000 0.497 420 Y N 1.557 121.840 120.300 -0.029 0.000 2.359 420 Y HA 0.101 4.335 4.550 -0.527 0.000 0.330 420 Y C 1.178 177.057 175.900 -0.035 0.000 1.143 420 Y CA 0.115 58.214 58.100 -0.002 0.000 1.318 420 Y CB 0.882 39.349 38.460 0.013 0.000 1.234 420 Y HN 0.038 nan 8.280 nan 0.000 0.522 421 K N 2.303 122.773 120.400 0.117 0.000 2.312 421 K HA 0.076 4.076 4.320 -0.533 0.000 0.287 421 K C 0.020 176.594 176.600 -0.044 0.000 1.062 421 K CA 0.217 56.503 56.287 -0.001 0.000 0.934 421 K CB 0.369 32.892 32.500 0.039 0.000 1.027 421 K HN 0.891 nan 8.250 nan 0.000 0.478 422 S N 3.235 118.817 115.700 -0.197 0.000 3.447 422 S HA -0.171 3.979 4.470 -0.533 0.000 0.371 422 S C 0.921 175.522 174.600 0.003 0.000 0.951 422 S CA 0.420 58.471 58.200 -0.248 0.000 1.269 422 S CB -1.105 61.656 63.200 -0.733 0.000 0.919 422 S HN 0.750 nan 8.310 nan 0.000 0.516 423 L N 1.195 122.445 121.223 0.045 0.000 2.012 423 L HA -0.135 3.885 4.340 -0.533 0.000 0.210 423 L C 1.949 178.962 176.870 0.238 0.000 1.073 423 L CA 2.080 56.994 54.840 0.123 0.000 0.748 423 L CB -0.396 41.702 42.059 0.064 0.000 0.891 423 L HN 0.604 nan 8.230 nan 0.000 0.431 424 Y N -0.297 119.978 120.300 -0.042 0.000 2.224 424 Y HA -0.059 4.180 4.550 -0.518 0.000 0.289 424 Y C -0.213 175.732 175.900 0.075 0.000 1.146 424 Y CA 0.374 58.450 58.100 -0.041 0.000 1.182 424 Y CB -2.297 36.096 38.460 -0.112 0.000 0.983 424 Y HN 0.304 nan 8.280 nan 0.000 0.524 425 P HA -0.119 nan 4.420 nan 0.000 0.217 425 P C 1.965 179.483 177.300 0.364 0.000 1.151 425 P CA 2.458 65.763 63.100 0.343 0.000 0.828 425 P CB -0.085 31.819 31.700 0.339 0.000 0.788 426 S N -1.291 114.655 115.700 0.410 0.000 2.406 426 S HA -0.095 4.055 4.470 -0.533 0.000 0.228 426 S C 1.949 176.620 174.600 0.118 0.000 1.020 426 S CA 0.860 59.230 58.200 0.284 0.000 0.965 426 S CB -1.509 61.897 63.200 0.342 0.000 0.798 426 S HN 0.005 nan 8.310 nan 0.000 0.488 427 I N 1.219 121.870 120.570 0.136 0.000 2.252 427 I HA -0.079 3.771 4.170 -0.533 0.000 0.245 427 I C 2.434 178.653 176.117 0.170 0.000 1.102 427 I CA 1.110 62.519 61.300 0.181 0.000 1.385 427 I CB -0.239 37.756 38.000 -0.009 0.000 1.064 427 I HN 0.300 nan 8.210 nan 0.000 0.414 428 I N 0.234 120.849 120.570 0.076 0.000 2.163 428 I HA -0.333 3.517 4.170 -0.533 0.000 0.243 428 I C 2.704 178.795 176.117 -0.044 0.000 1.085 428 I CA 1.527 62.835 61.300 0.014 0.000 1.347 428 I CB -0.330 37.719 38.000 0.082 0.000 1.044 428 I HN 0.181 nan 8.210 nan 0.000 0.408 429 R N -0.147 120.333 120.500 -0.033 0.000 2.073 429 R HA -0.132 3.888 4.340 -0.533 0.000 0.234 429 R C 2.294 178.458 176.300 -0.226 0.000 1.134 429 R CA 2.048 58.066 56.100 -0.135 0.000 0.952 429 R CB -0.575 29.636 30.300 -0.147 0.000 0.850 429 R HN 0.352 nan 8.270 nan 0.000 0.433 430 T N 0.340 114.736 114.554 -0.263 0.000 2.737 430 T HA -0.081 3.949 4.350 -0.533 0.000 0.265 430 T C 1.156 175.447 174.700 -0.682 0.000 1.038 430 T CA 1.289 63.070 62.100 -0.532 0.000 1.144 430 T CB -0.129 68.260 68.868 -0.799 0.000 0.866 430 T HN 0.131 nan 8.240 nan 0.000 0.434 431 F N 0.576 120.428 119.950 -0.163 0.000 2.727 431 F HA 0.460 4.662 4.527 -0.542 0.000 0.302 431 F C 0.515 176.167 175.800 -0.246 0.000 1.097 431 F CA -0.439 57.462 58.000 -0.166 0.000 1.330 431 F CB -0.575 38.330 39.000 -0.158 0.000 1.084 431 F HN -0.092 nan 8.300 nan 0.000 0.578 432 L N 0.570 121.688 121.223 -0.174 0.000 3.597 432 L HA -0.258 3.762 4.340 -0.533 0.000 0.440 432 L C -0.520 176.079 176.870 -0.451 0.000 1.277 432 L CA 0.036 54.718 54.840 -0.264 0.000 0.852 432 L CB -2.199 39.764 42.059 -0.161 0.000 1.708 432 L HN 0.088 nan 8.230 nan 0.000 0.885 433 I N 0.924 121.169 120.570 -0.542 0.000 2.452 433 I HA 0.322 4.172 4.170 -0.533 0.000 0.287 433 I C 0.404 176.350 176.117 -0.285 0.000 1.079 433 I CA 0.540 61.347 61.300 -0.821 0.000 1.387 433 I CB 0.845 38.534 38.000 -0.519 0.000 1.404 433 I HN 0.245 nan 8.210 nan 0.000 0.522 434 D N 7.137 127.493 120.400 -0.073 0.000 2.663 434 D HA 0.292 4.612 4.640 -0.533 0.000 0.233 434 D C -2.341 174.112 176.300 0.255 0.000 1.240 434 D CA -1.158 52.927 54.000 0.142 0.000 0.774 434 D CB 2.216 43.126 40.800 0.182 0.000 1.443 434 D HN -0.018 nan 8.370 nan 0.000 0.441 435 P HA -0.077 nan 4.420 nan 0.000 0.215 435 P C 1.476 178.814 177.300 0.063 0.000 1.157 435 P CA 0.625 63.870 63.100 0.241 0.000 0.863 435 P CB 0.250 32.122 31.700 0.286 0.000 0.787 436 V N 0.046 119.972 119.914 0.020 0.000 2.427 436 V HA -0.117 3.683 4.120 -0.533 0.000 0.248 436 V C 2.622 178.574 176.094 -0.237 0.000 1.051 436 V CA 2.404 64.489 62.300 -0.358 0.000 1.048 436 V CB -1.760 29.968 31.823 -0.157 0.000 0.666 436 V HN 0.163 nan 8.190 nan 0.000 0.456 437 G N -0.148 108.680 108.800 0.046 0.000 2.408 437 G HA2 -0.229 3.411 3.960 -0.533 0.000 0.217 437 G HA3 -0.229 3.411 3.960 -0.533 0.000 0.217 437 G C 1.556 176.532 174.900 0.127 0.000 1.150 437 G CA 1.063 46.270 45.100 0.179 0.000 0.776 437 G HN 0.449 nan 8.290 nan 0.000 0.542 438 L N 0.967 122.239 121.223 0.082 0.000 2.056 438 L HA 0.058 4.078 4.340 -0.533 0.000 0.207 438 L C 2.844 179.575 176.870 -0.232 0.000 1.078 438 L CA 1.374 56.073 54.840 -0.235 0.000 0.749 438 L CB -0.666 41.278 42.059 -0.192 0.000 0.901 438 L HN 0.069 nan 8.230 nan 0.000 0.433 439 V N 0.118 119.841 119.914 -0.318 0.000 2.287 439 V HA -0.254 3.546 4.120 -0.533 0.000 0.248 439 V C 2.665 178.612 176.094 -0.245 0.000 1.053 439 V CA 2.045 64.099 62.300 -0.410 0.000 1.027 439 V CB -0.717 30.589 31.823 -0.862 0.000 0.646 439 V HN 0.481 nan 8.190 nan 0.000 0.447 440 E N 0.281 120.366 120.200 -0.191 0.000 2.152 440 E HA -0.102 3.929 4.350 -0.533 0.000 0.192 440 E C 2.308 178.882 176.600 -0.044 0.000 0.983 440 E CA 1.232 57.594 56.400 -0.063 0.000 0.818 440 E CB -0.404 29.294 29.700 -0.005 0.000 0.758 440 E HN 0.645 nan 8.360 nan 0.000 0.467 441 G N 1.160 109.941 108.800 -0.032 0.000 2.404 441 G HA2 -0.218 3.423 3.960 -0.533 0.000 0.215 441 G HA3 -0.218 3.423 3.960 -0.533 0.000 0.215 441 G C 1.525 176.416 174.900 -0.016 0.000 1.174 441 G CA 0.513 45.629 45.100 0.026 0.000 0.780 441 G HN 0.093 nan 8.290 nan 0.000 0.537 442 M N 1.407 120.965 119.600 -0.069 0.000 2.213 442 M HA 0.096 4.257 4.480 -0.533 0.000 0.263 442 M C 2.914 179.147 176.300 -0.112 0.000 1.062 442 M CA 0.834 56.088 55.300 -0.077 0.000 1.105 442 M CB -1.326 31.218 32.600 -0.094 0.000 1.385 442 M HN 0.311 nan 8.290 nan 0.000 0.417 443 A N -0.102 122.654 122.820 -0.107 0.000 1.972 443 A HA -0.128 3.872 4.320 -0.533 0.000 0.219 443 A C 1.001 178.491 177.584 -0.156 0.000 1.169 443 A CA 1.126 53.097 52.037 -0.109 0.000 0.635 443 A CB -0.301 18.648 19.000 -0.084 0.000 0.810 443 A HN 0.659 nan 8.150 nan 0.000 0.446 444 Q N -1.051 118.636 119.800 -0.187 0.000 3.090 444 Q HA 0.250 4.270 4.340 -0.533 0.000 0.241 444 Q C -2.520 173.285 176.000 -0.325 0.000 0.958 444 Q CA -1.836 53.809 55.803 -0.264 0.000 0.715 444 Q CB 1.302 29.830 28.738 -0.351 0.000 1.298 444 Q HN 0.184 nan 8.270 nan 0.000 0.468 445 P HA -0.126 nan 4.420 nan 0.000 0.259 445 P C -0.876 175.530 177.300 -1.490 0.000 1.307 445 P CA 0.701 63.126 63.100 -1.124 0.000 0.768 445 P CB -0.179 30.975 31.700 -0.910 0.000 1.199 446 D N -2.274 117.684 120.400 -0.737 0.000 2.181 446 D HA 0.189 4.509 4.640 -0.533 0.000 0.248 446 D C -1.945 174.232 176.300 -0.206 0.000 1.020 446 D CA -2.716 51.007 54.000 -0.462 0.000 0.891 446 D CB 0.302 41.020 40.800 -0.136 0.000 1.187 446 D HN -0.117 nan 8.370 nan 0.000 0.443 447 P HA -0.127 nan 4.420 nan 0.000 0.239 447 P C 0.844 178.193 177.300 0.082 0.000 1.184 447 P CA 0.703 63.935 63.100 0.219 0.000 0.760 447 P CB 0.395 32.242 31.700 0.244 0.000 0.884 448 E N -0.302 119.880 120.200 -0.030 0.000 2.072 448 E HA -0.174 3.856 4.350 -0.533 0.000 0.190 448 E C 1.106 177.538 176.600 -0.280 0.000 0.982 448 E CA 1.020 57.299 56.400 -0.201 0.000 0.803 448 E CB -0.032 29.446 29.700 -0.370 0.000 0.755 448 E HN 0.423 nan 8.360 nan 0.000 0.453 449 H N -1.425 117.654 119.070 0.015 0.000 2.639 449 H HA 0.288 4.521 4.556 -0.539 0.000 0.267 449 H C 0.064 175.448 175.328 0.093 0.000 0.958 449 H CA 0.090 56.156 56.048 0.029 0.000 1.221 449 H CB 0.942 30.694 29.762 -0.016 0.000 1.446 449 H HN -0.124 nan 8.280 nan 0.000 0.512 450 S N -1.042 114.824 115.700 0.276 0.000 2.697 450 S HA 0.506 4.656 4.470 -0.533 0.000 0.289 450 S C -0.540 174.363 174.600 0.505 0.000 1.149 450 S CA -0.884 57.549 58.200 0.388 0.000 0.850 450 S CB 2.587 66.051 63.200 0.439 0.000 1.151 450 S HN 0.184 nan 8.310 nan 0.000 0.491 451 T N 0.761 115.588 114.554 0.454 0.000 2.893 451 T HA 0.531 4.561 4.350 -0.533 0.000 0.291 451 T C -1.127 173.570 174.700 -0.005 0.000 1.028 451 T CA -0.623 61.636 62.100 0.264 0.000 0.995 451 T CB 0.923 69.911 68.868 0.199 0.000 1.051 451 T HN 0.481 nan 8.240 nan 0.000 0.470 452 E N 0.944 120.909 120.200 -0.392 0.000 2.418 452 E HA 0.524 4.554 4.350 -0.533 0.000 0.261 452 E C 0.509 176.958 176.600 -0.251 0.000 1.070 452 E CA 0.341 56.307 56.400 -0.722 0.000 0.931 452 E CB 0.563 29.876 29.700 -0.645 0.000 0.954 452 E HN 0.829 nan 8.360 nan 0.000 0.439 453 G N 0.567 109.189 108.800 -0.296 0.000 2.725 453 G HA2 0.548 4.189 3.960 -0.533 0.000 0.288 453 G HA3 0.548 4.189 3.960 -0.533 0.000 0.288 453 G C -1.199 173.658 174.900 -0.072 0.000 1.399 453 G CA -0.887 44.248 45.100 0.059 0.000 0.859 453 G HN 0.348 nan 8.290 nan 0.000 0.479 454 F N -0.736 119.138 119.950 -0.126 0.000 2.375 454 F HA 0.397 4.575 4.527 -0.581 0.000 0.313 454 F C 1.085 176.810 175.800 -0.124 0.000 1.176 454 F CA -0.282 57.633 58.000 -0.142 0.000 1.142 454 F CB 0.873 39.785 39.000 -0.147 0.000 1.275 454 F HN 0.199 nan 8.300 nan 0.000 0.544 455 L N 1.257 122.514 121.223 0.057 0.000 4.232 455 L HA -0.319 3.701 4.340 -0.533 0.000 0.415 455 L C 0.141 176.983 176.870 -0.047 0.000 1.168 455 L CA 0.974 55.811 54.840 -0.004 0.000 0.966 455 L CB -2.190 39.871 42.059 0.002 0.000 2.052 455 L HN 0.812 nan 8.230 nan 0.000 0.887 456 D N -3.197 117.151 120.400 -0.087 0.000 3.068 456 D HA -0.165 4.156 4.640 -0.533 0.000 0.218 456 D C 0.767 177.015 176.300 -0.087 0.000 1.145 456 D CA 1.106 55.058 54.000 -0.079 0.000 0.896 456 D CB -0.758 40.037 40.800 -0.008 0.000 1.105 456 D HN 0.762 nan 8.370 nan 0.000 0.423 457 A N -0.442 122.271 122.820 -0.179 0.000 2.340 457 A HA 0.486 4.486 4.320 -0.533 0.000 0.268 457 A C -0.464 176.855 177.584 -0.442 0.000 1.100 457 A CA -0.002 51.875 52.037 -0.266 0.000 0.803 457 A CB 0.590 19.398 19.000 -0.320 0.000 1.043 457 A HN 0.216 nan 8.150 nan 0.000 0.488 458 W N 0.773 121.835 121.300 -0.397 0.000 2.683 458 W HA 0.613 5.006 4.660 -0.446 0.000 0.329 458 W C -1.288 174.984 176.519 -0.411 0.000 1.037 458 W CA -0.119 57.077 57.345 -0.248 0.000 1.232 458 W CB 1.723 31.104 29.460 -0.131 0.000 1.390 458 W HN 0.499 nan 8.180 nan 0.000 0.465 459 F N 2.118 122.197 119.950 0.215 0.000 2.458 459 F HA 0.376 4.852 4.527 -0.085 0.000 0.336 459 F C 0.808 176.727 175.800 0.198 0.000 1.114 459 F CA -0.860 57.236 58.000 0.160 0.000 0.987 459 F CB 1.778 40.843 39.000 0.107 0.000 1.130 459 F HN 0.068 nan 8.300 nan 0.000 0.458 460 S N 2.678 118.582 115.700 0.340 0.000 2.549 460 S HA 0.155 4.306 4.470 -0.533 0.000 0.283 460 S C 1.431 176.221 174.600 0.317 0.000 1.320 460 S CA -0.294 58.062 58.200 0.261 0.000 1.058 460 S CB 0.514 63.806 63.200 0.154 0.000 0.882 460 S HN 0.717 nan 8.310 nan 0.000 0.498 461 R N 2.325 122.977 120.500 0.254 0.000 2.090 461 R HA 0.037 4.057 4.340 -0.533 0.000 0.228 461 R C 1.290 177.730 176.300 0.233 0.000 1.110 461 R CA 0.981 57.232 56.100 0.251 0.000 0.973 461 R CB 0.033 30.430 30.300 0.162 0.000 0.869 461 R HN 0.577 nan 8.270 nan 0.000 0.440 462 E N 0.084 120.316 120.200 0.053 0.000 2.460 462 E HA 0.070 4.100 4.350 -0.533 0.000 0.200 462 E C -0.103 176.273 176.600 -0.372 0.000 1.011 462 E CA 0.342 56.666 56.400 -0.126 0.000 0.912 462 E CB 0.644 30.320 29.700 -0.040 0.000 0.953 462 E HN 0.038 nan 8.360 nan 0.000 0.494 463 K N 1.172 121.388 120.400 -0.308 0.000 2.521 463 K HA 0.220 4.220 4.320 -0.533 0.000 0.248 463 K C -1.447 175.017 176.600 -0.226 0.000 0.978 463 K CA -0.342 55.778 56.287 -0.279 0.000 0.947 463 K CB 0.433 32.890 32.500 -0.071 0.000 1.165 463 K HN 0.034 nan 8.250 nan 0.000 0.445 464 H N -0.525 118.558 119.070 0.021 0.000 3.046 464 H HA 0.378 4.610 4.556 -0.540 0.000 0.361 464 H C -0.223 175.090 175.328 -0.025 0.000 1.235 464 H CA -1.077 54.983 56.048 0.019 0.000 1.146 464 H CB 0.920 30.702 29.762 0.033 0.000 1.859 464 H HN 0.291 nan 8.280 nan 0.000 0.548 465 C N 0.409 119.781 119.300 0.119 0.000 2.735 465 C HA 0.139 4.279 4.460 -0.533 0.000 0.444 465 C C 2.246 177.255 174.990 0.032 0.000 1.331 465 C CA 0.021 59.009 59.018 -0.050 0.000 2.225 465 C CB -0.423 27.024 27.740 -0.489 0.000 2.917 465 C HN 0.800 nan 8.230 nan 0.000 0.567 466 L N 2.246 123.570 121.223 0.169 0.000 2.093 466 L HA 0.066 4.086 4.340 -0.533 0.000 0.208 466 L C -0.936 175.960 176.870 0.042 0.000 1.085 466 L CA 2.207 57.110 54.840 0.105 0.000 0.755 466 L CB -1.331 40.801 42.059 0.123 0.000 0.904 466 L HN 0.116 nan 8.230 nan 0.000 0.435 467 P HA -0.122 nan 4.420 nan 0.000 0.218 467 P C 1.146 178.430 177.300 -0.027 0.000 1.149 467 P CA 1.142 64.209 63.100 -0.054 0.000 0.817 467 P CB 0.169 31.735 31.700 -0.224 0.000 0.785 468 E N -0.576 119.626 120.200 0.003 0.000 2.047 468 E HA -0.108 3.922 4.350 -0.533 0.000 0.191 468 E C 1.950 178.560 176.600 0.017 0.000 0.987 468 E CA 0.967 57.368 56.400 0.002 0.000 0.799 468 E CB -0.879 28.831 29.700 0.018 0.000 0.752 468 E HN 0.247 nan 8.360 nan 0.000 0.449 469 I N 0.141 120.733 120.570 0.037 0.000 2.226 469 I HA -0.232 3.618 4.170 -0.533 0.000 0.245 469 I C 2.078 178.315 176.117 0.201 0.000 1.100 469 I CA 0.715 62.069 61.300 0.090 0.000 1.374 469 I CB -0.432 37.580 38.000 0.020 0.000 1.057 469 I HN -0.016 nan 8.210 nan 0.000 0.413 470 V N 1.035 121.088 119.914 0.231 0.000 2.490 470 V HA -0.258 3.542 4.120 -0.533 0.000 0.250 470 V C 2.553 178.784 176.094 0.229 0.000 1.061 470 V CA 2.463 64.965 62.300 0.335 0.000 1.064 470 V CB -0.952 31.071 31.823 0.334 0.000 0.670 470 V HN 0.502 nan 8.190 nan 0.000 0.461 471 T N -0.016 114.563 114.554 0.040 0.000 2.777 471 T HA -0.183 3.847 4.350 -0.533 0.000 0.266 471 T C 1.722 176.246 174.700 -0.293 0.000 1.040 471 T CA 1.904 63.884 62.100 -0.199 0.000 1.141 471 T CB -0.419 68.293 68.868 -0.259 0.000 0.868 471 T HN 0.537 nan 8.240 nan 0.000 0.444 472 N N 0.840 119.493 118.700 -0.079 0.000 2.084 472 N HA 0.023 4.443 4.740 -0.533 0.000 0.190 472 N C 1.764 177.342 175.510 0.113 0.000 1.030 472 N CA 1.033 54.095 53.050 0.021 0.000 0.849 472 N CB -0.309 38.230 38.487 0.085 0.000 1.012 472 N HN 0.326 nan 8.380 nan 0.000 0.423 473 I N -0.428 120.237 120.570 0.158 0.000 2.394 473 I HA -0.222 3.628 4.170 -0.533 0.000 0.251 473 I C 2.055 178.284 176.117 0.186 0.000 1.136 473 I CA 0.586 61.988 61.300 0.169 0.000 1.425 473 I CB -0.202 37.904 38.000 0.178 0.000 1.079 473 I HN 0.425 nan 8.210 nan 0.000 0.425 474 W N 2.186 123.477 121.300 -0.014 0.000 2.358 474 W HA -0.189 4.149 4.660 -0.536 0.000 0.303 474 W C 2.425 178.980 176.519 0.062 0.000 1.208 474 W CA 1.775 59.113 57.345 -0.011 0.000 1.274 474 W CB -0.825 28.592 29.460 -0.072 0.000 1.138 474 W HN 0.290 nan 8.180 nan 0.000 0.515 475 H N -1.314 118.009 119.070 0.422 0.000 2.387 475 H HA -0.092 4.145 4.556 -0.531 0.000 0.299 475 H C 2.470 177.902 175.328 0.172 0.000 1.090 475 H CA 1.116 57.324 56.048 0.267 0.000 1.332 475 H CB -0.595 29.259 29.762 0.153 0.000 1.386 475 H HN 0.197 nan 8.280 nan 0.000 0.516 476 G N 0.454 109.417 108.800 0.272 0.000 2.432 476 G HA2 -0.249 3.392 3.960 -0.533 0.000 0.219 476 G HA3 -0.249 3.392 3.960 -0.533 0.000 0.219 476 G C 1.669 176.632 174.900 0.104 0.000 1.135 476 G CA 0.213 45.410 45.100 0.161 0.000 0.767 476 G HN 0.284 nan 8.290 nan 0.000 0.550 477 R N 0.065 120.609 120.500 0.074 0.000 2.115 477 R HA -0.041 3.979 4.340 -0.533 0.000 0.226 477 R C 1.853 178.159 176.300 0.010 0.000 1.100 477 R CA 1.126 57.224 56.100 -0.004 0.000 0.980 477 R CB -0.114 30.117 30.300 -0.116 0.000 0.875 477 R HN 0.177 nan 8.270 nan 0.000 0.445 478 D N 0.347 120.790 120.400 0.072 0.000 2.117 478 D HA -0.184 4.136 4.640 -0.533 0.000 0.197 478 D C 1.693 178.034 176.300 0.069 0.000 0.987 478 D CA 1.242 55.297 54.000 0.090 0.000 0.829 478 D CB -0.032 40.882 40.800 0.190 0.000 0.961 478 D HN 0.239 nan 8.370 nan 0.000 0.460 479 E N 0.703 120.952 120.200 0.080 0.000 2.106 479 E HA -0.065 3.965 4.350 -0.533 0.000 0.192 479 E C 1.875 178.505 176.600 0.050 0.000 0.984 479 E CA 1.252 57.689 56.400 0.063 0.000 0.806 479 E CB -0.222 29.520 29.700 0.070 0.000 0.750 479 E HN 0.149 nan 8.360 nan 0.000 0.458 480 A N 0.902 123.750 122.820 0.047 0.000 1.883 480 A HA -0.241 3.760 4.320 -0.533 0.000 0.217 480 A C 2.067 179.666 177.584 0.027 0.000 1.186 480 A CA 1.952 54.014 52.037 0.041 0.000 0.624 480 A CB -0.483 18.538 19.000 0.036 0.000 0.822 480 A HN 0.225 nan 8.150 nan 0.000 0.444 481 K N -0.919 119.487 120.400 0.011 0.000 2.057 481 K HA -0.148 3.853 4.320 -0.533 0.000 0.207 481 K C 2.383 178.988 176.600 0.009 0.000 1.049 481 K CA 1.507 57.792 56.287 -0.003 0.000 0.931 481 K CB -0.178 32.312 32.500 -0.015 0.000 0.714 481 K HN 0.464 nan 8.250 nan 0.000 0.440 482 R N 1.036 121.548 120.500 0.021 0.000 2.081 482 R HA -0.123 3.897 4.340 -0.533 0.000 0.235 482 R C 2.000 178.315 176.300 0.025 0.000 1.131 482 R CA 1.361 57.474 56.100 0.023 0.000 0.960 482 R CB 0.112 30.429 30.300 0.030 0.000 0.856 482 R HN 0.205 nan 8.270 nan 0.000 0.436 483 Q N -0.827 118.993 119.800 0.033 0.000 2.436 483 Q HA 0.016 4.036 4.340 -0.533 0.000 0.209 483 Q C 1.009 177.031 176.000 0.036 0.000 0.965 483 Q CA 1.069 56.895 55.803 0.038 0.000 0.910 483 Q CB 0.654 29.422 28.738 0.049 0.000 0.980 483 Q HN 0.696 nan 8.270 nan 0.000 0.491 484 G N 1.958 110.774 108.800 0.027 0.000 2.143 484 G HA2 -0.228 3.413 3.960 -0.533 0.000 0.249 484 G HA3 -0.228 3.413 3.960 -0.533 0.000 0.249 484 G C 0.101 175.018 174.900 0.028 0.000 0.981 484 G CA 0.140 45.252 45.100 0.020 0.000 0.665 484 G HN 0.272 nan 8.290 nan 0.000 0.528 485 N N 0.782 119.509 118.700 0.045 0.000 2.663 485 N HA 0.221 4.641 4.740 -0.533 0.000 0.250 485 N C 1.453 176.995 175.510 0.053 0.000 1.129 485 N CA 0.225 53.318 53.050 0.072 0.000 0.995 485 N CB 0.614 39.165 38.487 0.106 0.000 1.324 485 N HN 0.592 nan 8.380 nan 0.000 0.512 486 K N 3.031 123.438 120.400 0.012 0.000 2.097 486 K HA -0.023 3.977 4.320 -0.533 0.000 0.205 486 K C -1.040 175.552 176.600 -0.013 0.000 1.050 486 K CA 0.995 57.261 56.287 -0.034 0.000 0.938 486 K CB -0.126 32.322 32.500 -0.086 0.000 0.718 486 K HN 0.256 nan 8.250 nan 0.000 0.442 487 P HA -0.136 nan 4.420 nan 0.000 0.216 487 P C 1.222 178.810 177.300 0.481 0.000 1.153 487 P CA 0.849 64.058 63.100 0.181 0.000 0.844 487 P CB 0.050 31.787 31.700 0.061 0.000 0.787 488 L N -1.020 120.469 121.223 0.444 0.000 2.201 488 L HA -0.040 3.980 4.340 -0.533 0.000 0.212 488 L C 2.287 179.247 176.870 0.151 0.000 1.105 488 L CA 1.693 56.721 54.840 0.314 0.000 0.775 488 L CB -1.335 40.821 42.059 0.161 0.000 0.913 488 L HN -0.123 nan 8.230 nan 0.000 0.440 489 S N -1.000 114.753 115.700 0.088 0.000 2.355 489 S HA -0.205 3.945 4.470 -0.533 0.000 0.222 489 S C 1.914 176.484 174.600 -0.051 0.000 1.031 489 S CA 1.449 59.645 58.200 -0.007 0.000 0.993 489 S CB -0.177 62.995 63.200 -0.048 0.000 0.859 489 S HN 0.676 nan 8.310 nan 0.000 0.453 490 Q N 0.304 120.050 119.800 -0.091 0.000 2.167 490 Q HA -0.006 4.014 4.340 -0.533 0.000 0.202 490 Q C 2.468 178.453 176.000 -0.024 0.000 0.970 490 Q CA 1.233 56.866 55.803 -0.282 0.000 0.855 490 Q CB -0.338 27.877 28.738 -0.872 0.000 0.911 490 Q HN 0.679 nan 8.270 nan 0.000 0.438 491 A N 1.324 124.324 122.820 0.300 0.000 1.873 491 A HA -0.121 3.879 4.320 -0.533 0.000 0.215 491 A C 2.095 179.760 177.584 0.136 0.000 1.186 491 A CA 0.924 53.194 52.037 0.390 0.000 0.616 491 A CB -0.571 18.659 19.000 0.383 0.000 0.823 491 A HN 0.246 nan 8.150 nan 0.000 0.442 492 L N -0.558 120.694 121.223 0.049 0.000 2.141 492 L HA -0.170 3.850 4.340 -0.533 0.000 0.209 492 L C 2.583 179.411 176.870 -0.071 0.000 1.094 492 L CA 1.837 56.667 54.840 -0.018 0.000 0.763 492 L CB -0.699 41.347 42.059 -0.021 0.000 0.908 492 L HN 0.540 nan 8.230 nan 0.000 0.437 493 K N 0.974 121.326 120.400 -0.081 0.000 2.009 493 K HA -0.216 3.784 4.320 -0.533 0.000 0.210 493 K C 2.054 178.594 176.600 -0.100 0.000 1.049 493 K CA 1.610 57.819 56.287 -0.131 0.000 0.929 493 K CB -0.027 32.375 32.500 -0.163 0.000 0.714 493 K HN 0.063 nan 8.250 nan 0.000 0.440 494 I N 1.628 122.180 120.570 -0.031 0.000 2.315 494 I HA -0.226 3.624 4.170 -0.533 0.000 0.248 494 I C 2.090 178.183 176.117 -0.040 0.000 1.117 494 I CA 1.041 62.351 61.300 0.017 0.000 1.404 494 I CB -0.275 37.814 38.000 0.148 0.000 1.071 494 I HN 0.236 nan 8.210 nan 0.000 0.419 495 I N -0.426 120.098 120.570 -0.077 0.000 2.208 495 I HA -0.328 3.522 4.170 -0.533 0.000 0.245 495 I C 2.408 178.174 176.117 -0.585 0.000 1.097 495 I CA 1.599 62.777 61.300 -0.203 0.000 1.363 495 I CB -0.366 37.550 38.000 -0.140 0.000 1.051 495 I HN 0.236 nan 8.210 nan 0.000 0.413 496 M N -0.137 119.169 119.600 -0.489 0.000 2.254 496 M HA -0.131 4.030 4.480 -0.533 0.000 0.265 496 M C 1.819 177.980 176.300 -0.231 0.000 1.066 496 M CA 1.325 56.275 55.300 -0.583 0.000 1.123 496 M CB -0.488 32.006 32.600 -0.177 0.000 1.388 496 M HN 0.205 nan 8.290 nan 0.000 0.425 497 N N 0.889 119.541 118.700 -0.081 0.000 2.309 497 N HA -0.014 4.406 4.740 -0.533 0.000 0.182 497 N C 1.547 177.203 175.510 0.244 0.000 1.018 497 N CA 1.279 54.396 53.050 0.112 0.000 0.876 497 N CB -0.139 38.371 38.487 0.037 0.000 0.972 497 N HN 0.296 nan 8.380 nan 0.000 0.434 498 A N -0.345 122.534 122.820 0.097 0.000 2.167 498 A HA 0.017 4.017 4.320 -0.533 0.000 0.214 498 A C 1.513 179.259 177.584 0.271 0.000 1.151 498 A CA 0.331 52.450 52.037 0.137 0.000 0.735 498 A CB -0.501 18.556 19.000 0.094 0.000 0.802 498 A HN 0.075 nan 8.150 nan 0.000 0.467 499 F N -0.972 119.108 119.950 0.217 0.000 2.186 499 F HA -0.104 4.103 4.527 -0.533 0.000 0.299 499 F C 2.172 178.042 175.800 0.116 0.000 1.090 499 F CA 0.671 58.822 58.000 0.251 0.000 1.307 499 F CB -1.291 37.910 39.000 0.335 0.000 1.019 499 F HN 0.611 nan 8.300 nan 0.000 0.489 500 Y N 0.162 120.648 120.300 0.310 0.000 2.220 500 Y HA 0.106 4.331 4.550 -0.542 0.000 0.291 500 Y C 2.400 178.369 175.900 0.115 0.000 1.129 500 Y CA 1.276 59.483 58.100 0.178 0.000 1.161 500 Y CB -1.109 37.505 38.460 0.256 0.000 0.997 500 Y HN -0.041 nan 8.280 nan 0.000 0.522 501 G N 0.570 108.968 108.800 -0.670 0.000 2.440 501 G HA2 -0.281 3.359 3.960 -0.533 0.000 0.218 501 G HA3 -0.281 3.359 3.960 -0.533 0.000 0.218 501 G C 1.746 176.420 174.900 -0.376 0.000 1.154 501 G CA 1.283 45.929 45.100 -0.757 0.000 0.767 501 G HN 0.418 nan 8.290 nan 0.000 0.552 502 V N 0.537 120.320 119.914 -0.218 0.000 2.594 502 V HA 0.019 3.819 4.120 -0.533 0.000 0.253 502 V C 2.540 178.530 176.094 -0.174 0.000 1.069 502 V CA 1.204 63.400 62.300 -0.173 0.000 1.082 502 V CB -0.111 31.593 31.823 -0.200 0.000 0.680 502 V HN 0.402 nan 8.190 nan 0.000 0.469 503 L N -0.309 120.787 121.223 -0.211 0.000 2.591 503 L HA 0.229 4.249 4.340 -0.533 0.000 0.228 503 L C 1.767 178.681 176.870 0.074 0.000 1.133 503 L CA 0.825 55.611 54.840 -0.091 0.000 0.880 503 L CB -0.250 41.728 42.059 -0.135 0.000 1.033 503 L HN 0.406 nan 8.230 nan 0.000 0.450 504 G N -1.348 107.498 108.800 0.077 0.000 3.735 504 G HA2 0.098 3.738 3.960 -0.533 0.000 0.283 504 G HA3 0.098 3.738 3.960 -0.533 0.000 0.283 504 G C 0.099 175.146 174.900 0.244 0.000 1.007 504 G CA 0.066 45.313 45.100 0.246 0.000 0.821 504 G HN 0.081 nan 8.290 nan 0.000 0.505 505 T N -0.408 114.205 114.554 0.100 0.000 2.841 505 T HA 0.414 4.444 4.350 -0.533 0.000 0.283 505 T C 1.629 176.066 174.700 -0.439 0.000 1.000 505 T CA 0.362 62.355 62.100 -0.180 0.000 0.977 505 T CB 1.451 70.247 68.868 -0.121 0.000 0.979 505 T HN 0.081 nan 8.240 nan 0.000 0.446 506 T N 1.736 115.851 114.554 -0.732 0.000 3.163 506 T HA 0.119 4.149 4.350 -0.533 0.000 0.260 506 T C 1.998 176.528 174.700 -0.284 0.000 1.156 506 T CA 0.651 62.313 62.100 -0.729 0.000 1.072 506 T CB -0.247 68.244 68.868 -0.629 0.000 0.937 506 T HN 0.614 nan 8.240 nan 0.000 0.528 507 A N 0.083 122.783 122.820 -0.200 0.000 2.119 507 A HA 0.218 4.218 4.320 -0.533 0.000 0.217 507 A C 1.455 179.010 177.584 -0.048 0.000 1.153 507 A CA 0.237 52.219 52.037 -0.091 0.000 0.692 507 A CB -0.787 18.170 19.000 -0.072 0.000 0.799 507 A HN 0.685 nan 8.150 nan 0.000 0.458 508 C N 0.888 120.160 119.300 -0.047 0.000 2.329 508 C HA 0.528 4.668 4.460 -0.533 0.000 0.329 508 C C 2.065 177.047 174.990 -0.012 0.000 1.275 508 C CA -0.683 58.330 59.018 -0.009 0.000 1.726 508 C CB 0.625 28.364 27.740 -0.002 0.000 2.291 508 C HN 0.710 nan 8.230 nan 0.000 0.514 509 R N 2.468 122.896 120.500 -0.121 0.000 2.193 509 R HA -0.083 3.937 4.340 -0.533 0.000 0.229 509 R C 0.419 176.561 176.300 -0.263 0.000 1.110 509 R CA 1.775 57.742 56.100 -0.222 0.000 0.988 509 R CB -0.450 29.625 30.300 -0.374 0.000 0.871 509 R HN 0.679 nan 8.270 nan 0.000 0.458 510 F N 0.843 120.807 119.950 0.023 0.000 2.797 510 F HA 0.188 4.393 4.527 -0.536 0.000 0.302 510 F C 0.605 176.417 175.800 0.020 0.000 1.130 510 F CA -1.270 56.720 58.000 -0.017 0.000 1.387 510 F CB -0.410 38.530 39.000 -0.100 0.000 1.107 510 F HN -0.098 nan 8.300 nan 0.000 0.577 511 F N 2.262 122.233 119.950 0.036 0.000 2.608 511 F HA 0.184 4.407 4.527 -0.507 0.000 0.380 511 F C 0.100 175.934 175.800 0.057 0.000 1.083 511 F CA 0.258 58.268 58.000 0.017 0.000 1.266 511 F CB 0.188 39.180 39.000 -0.013 0.000 1.076 511 F HN -0.021 nan 8.300 nan 0.000 0.574 512 D N 7.211 127.125 120.400 -0.809 0.000 2.937 512 D HA 0.194 4.514 4.640 -0.533 0.000 0.215 512 D C -2.510 173.358 176.300 -0.720 0.000 1.274 512 D CA -1.298 52.240 54.000 -0.770 0.000 0.869 512 D CB 2.649 43.301 40.800 -0.247 0.000 1.675 512 D HN 0.159 nan 8.370 nan 0.000 0.538 513 P HA 0.088 nan 4.420 nan 0.000 0.223 513 P C 1.305 178.531 177.300 -0.123 0.000 1.151 513 P CA 0.541 63.489 63.100 -0.254 0.000 0.787 513 P CB 0.409 32.066 31.700 -0.072 0.000 0.788 514 R N -0.638 119.787 120.500 -0.124 0.000 2.120 514 R HA -0.043 3.977 4.340 -0.533 0.000 0.234 514 R C 2.087 178.423 176.300 0.060 0.000 1.123 514 R CA 1.078 57.156 56.100 -0.036 0.000 0.975 514 R CB -0.831 29.432 30.300 -0.061 0.000 0.866 514 R HN 0.247 nan 8.270 nan 0.000 0.446 515 L N -0.569 120.684 121.223 0.049 0.000 2.056 515 L HA -0.094 3.927 4.340 -0.533 0.000 0.207 515 L C 2.281 179.176 176.870 0.043 0.000 1.078 515 L CA 1.273 56.190 54.840 0.128 0.000 0.749 515 L CB -0.282 41.815 42.059 0.063 0.000 0.901 515 L HN 0.183 nan 8.230 nan 0.000 0.433 516 A N -1.959 120.865 122.820 0.008 0.000 2.251 516 A HA 0.061 4.061 4.320 -0.533 0.000 0.209 516 A C 2.192 179.758 177.584 -0.030 0.000 1.187 516 A CA 0.640 52.702 52.037 0.041 0.000 0.823 516 A CB -0.059 18.990 19.000 0.082 0.000 0.846 516 A HN 0.289 nan 8.150 nan 0.000 0.486 517 S N -1.035 114.612 115.700 -0.089 0.000 2.497 517 S HA 0.017 4.168 4.470 -0.533 0.000 0.221 517 S C 2.003 176.367 174.600 -0.394 0.000 1.037 517 S CA 0.729 58.804 58.200 -0.207 0.000 0.920 517 S CB 0.123 63.248 63.200 -0.125 0.000 0.800 517 S HN 0.536 nan 8.310 nan 0.000 0.505 518 S N 1.842 117.423 115.700 -0.197 0.000 2.383 518 S HA 0.088 4.238 4.470 -0.533 0.000 0.227 518 S C 1.673 176.040 174.600 -0.387 0.000 1.026 518 S CA 0.846 58.954 58.200 -0.153 0.000 0.981 518 S CB -0.210 63.076 63.200 0.144 0.000 0.818 518 S HN 0.402 nan 8.310 nan 0.000 0.472 519 I N 1.177 121.531 120.570 -0.360 0.000 2.235 519 I HA -0.136 3.714 4.170 -0.533 0.000 0.241 519 I C 2.858 178.560 176.117 -0.691 0.000 1.085 519 I CA 1.608 62.617 61.300 -0.485 0.000 1.378 519 I CB -0.591 37.154 38.000 -0.425 0.000 1.076 519 I HN 0.408 nan 8.210 nan 0.000 0.415 520 T N -1.532 112.648 114.554 -0.623 0.000 2.942 520 T HA -0.071 3.959 4.350 -0.533 0.000 0.265 520 T C 1.785 176.162 174.700 -0.540 0.000 1.062 520 T CA 0.752 62.533 62.100 -0.533 0.000 1.139 520 T CB -0.208 68.510 68.868 -0.251 0.000 0.883 520 T HN 0.153 nan 8.240 nan 0.000 0.468 521 M N 0.069 119.136 119.600 -0.888 0.000 2.492 521 M HA 0.245 4.405 4.480 -0.533 0.000 0.262 521 M C 2.478 178.146 176.300 -1.053 0.000 1.090 521 M CA 0.681 55.243 55.300 -1.231 0.000 1.110 521 M CB -0.032 31.643 32.600 -1.543 0.000 1.407 521 M HN 0.125 nan 8.290 nan 0.000 0.470 522 R N 0.362 120.306 120.500 -0.927 0.000 2.090 522 R HA 0.014 4.034 4.340 -0.533 0.000 0.228 522 R C 2.028 178.157 176.300 -0.284 0.000 1.110 522 R CA 1.657 57.448 56.100 -0.514 0.000 0.973 522 R CB -1.019 28.883 30.300 -0.664 0.000 0.869 522 R HN 0.329 nan 8.270 nan 0.000 0.440 523 G N -0.876 107.779 108.800 -0.242 0.000 2.432 523 G HA2 -0.258 3.382 3.960 -0.533 0.000 0.219 523 G HA3 -0.258 3.382 3.960 -0.533 0.000 0.219 523 G C 0.890 175.850 174.900 0.100 0.000 1.135 523 G CA 1.010 46.076 45.100 -0.057 0.000 0.767 523 G HN 0.406 nan 8.290 nan 0.000 0.550 524 H N -0.413 118.600 119.070 -0.095 0.000 2.357 524 H HA -0.008 4.234 4.556 -0.524 0.000 0.301 524 H C 2.471 177.794 175.328 -0.009 0.000 1.082 524 H CA 1.501 57.535 56.048 -0.023 0.000 1.342 524 H CB -0.282 29.429 29.762 -0.085 0.000 1.389 524 H HN 0.424 nan 8.280 nan 0.000 0.511 525 Q N 0.137 120.025 119.800 0.146 0.000 2.119 525 Q HA -0.079 3.942 4.340 -0.533 0.000 0.201 525 Q C 2.094 178.223 176.000 0.215 0.000 0.972 525 Q CA 1.055 56.955 55.803 0.162 0.000 0.847 525 Q CB -0.019 28.832 28.738 0.188 0.000 0.903 525 Q HN 0.443 nan 8.270 nan 0.000 0.433 526 I N 0.183 120.832 120.570 0.131 0.000 2.394 526 I HA -0.267 3.583 4.170 -0.533 0.000 0.251 526 I C 2.361 178.629 176.117 0.251 0.000 1.136 526 I CA 0.639 62.034 61.300 0.158 0.000 1.425 526 I CB -0.032 37.803 38.000 -0.276 0.000 1.079 526 I HN 0.346 nan 8.210 nan 0.000 0.425 527 M N 0.501 120.207 119.600 0.176 0.000 2.099 527 M HA -0.138 4.022 4.480 -0.533 0.000 0.262 527 M C 2.319 178.762 176.300 0.238 0.000 1.067 527 M CA 1.812 57.247 55.300 0.225 0.000 1.124 527 M CB -0.204 32.564 32.600 0.281 0.000 1.353 527 M HN -0.029 nan 8.290 nan 0.000 0.410 528 R N -0.687 119.926 120.500 0.189 0.000 2.115 528 R HA -0.126 3.894 4.340 -0.533 0.000 0.226 528 R C 2.217 178.572 176.300 0.093 0.000 1.100 528 R CA 1.490 57.664 56.100 0.123 0.000 0.980 528 R CB -0.576 29.743 30.300 0.033 0.000 0.875 528 R HN 0.492 nan 8.270 nan 0.000 0.445 529 Q N 0.521 120.403 119.800 0.137 0.000 2.123 529 Q HA -0.061 3.959 4.340 -0.533 0.000 0.199 529 Q C 1.613 177.540 176.000 -0.122 0.000 0.966 529 Q CA 1.812 57.620 55.803 0.008 0.000 0.845 529 Q CB -0.022 28.804 28.738 0.146 0.000 0.907 529 Q HN 0.135 nan 8.270 nan 0.000 0.439 530 T N 0.365 114.983 114.554 0.105 0.000 2.777 530 T HA -0.147 3.883 4.350 -0.533 0.000 0.266 530 T C 1.569 176.275 174.700 0.010 0.000 1.040 530 T CA 1.573 63.729 62.100 0.094 0.000 1.141 530 T CB -0.245 68.824 68.868 0.334 0.000 0.868 530 T HN 0.374 nan 8.240 nan 0.000 0.444 531 K N 1.795 122.229 120.400 0.057 0.000 2.097 531 K HA 0.081 4.081 4.320 -0.533 0.000 0.206 531 K C 2.301 178.899 176.600 -0.003 0.000 1.049 531 K CA 1.359 57.676 56.287 0.049 0.000 0.933 531 K CB -0.502 32.055 32.500 0.096 0.000 0.717 531 K HN 0.224 nan 8.250 nan 0.000 0.442 532 A N 1.179 123.970 122.820 -0.049 0.000 1.898 532 A HA -0.061 3.939 4.320 -0.533 0.000 0.216 532 A C 2.188 179.686 177.584 -0.143 0.000 1.181 532 A CA 1.489 53.473 52.037 -0.089 0.000 0.620 532 A CB -0.699 18.228 19.000 -0.120 0.000 0.819 532 A HN 0.336 nan 8.150 nan 0.000 0.442 533 L N -0.700 120.371 121.223 -0.254 0.000 2.046 533 L HA -0.192 3.828 4.340 -0.533 0.000 0.208 533 L C 2.523 179.350 176.870 -0.071 0.000 1.077 533 L CA 1.353 56.023 54.840 -0.284 0.000 0.747 533 L CB -0.579 41.170 42.059 -0.516 0.000 0.896 533 L HN 0.374 nan 8.230 nan 0.000 0.432 534 I N -0.204 120.346 120.570 -0.034 0.000 2.226 534 I HA -0.272 3.578 4.170 -0.533 0.000 0.245 534 I C 2.482 178.643 176.117 0.073 0.000 1.100 534 I CA 1.356 62.686 61.300 0.049 0.000 1.374 534 I CB -0.212 37.812 38.000 0.041 0.000 1.057 534 I HN 0.297 nan 8.210 nan 0.000 0.413 535 E N 0.834 121.052 120.200 0.029 0.000 2.150 535 E HA -0.194 3.836 4.350 -0.533 0.000 0.193 535 E C 2.296 178.880 176.600 -0.027 0.000 0.985 535 E CA 1.177 57.586 56.400 0.014 0.000 0.814 535 E CB -0.184 29.524 29.700 0.013 0.000 0.752 535 E HN 0.517 nan 8.360 nan 0.000 0.466 536 A N 1.353 124.154 122.820 -0.032 0.000 1.969 536 A HA -0.176 3.824 4.320 -0.533 0.000 0.218 536 A C 2.046 179.590 177.584 -0.066 0.000 1.169 536 A CA 1.006 53.015 52.037 -0.047 0.000 0.635 536 A CB -0.152 18.822 19.000 -0.042 0.000 0.810 536 A HN 0.071 nan 8.150 nan 0.000 0.445 537 Q N -1.329 118.445 119.800 -0.043 0.000 2.488 537 Q HA 0.077 4.097 4.340 -0.533 0.000 0.211 537 Q C 1.186 177.055 176.000 -0.218 0.000 0.967 537 Q CA 0.915 56.671 55.803 -0.077 0.000 0.926 537 Q CB -0.083 28.678 28.738 0.039 0.000 0.992 537 Q HN 1.033 nan 8.270 nan 0.000 0.506 538 G N -0.309 108.353 108.800 -0.231 0.000 2.138 538 G HA2 -0.231 3.409 3.960 -0.533 0.000 0.193 538 G HA3 -0.231 3.409 3.960 -0.533 0.000 0.193 538 G C -0.582 173.974 174.900 -0.574 0.000 0.998 538 G CA -0.338 44.524 45.100 -0.396 0.000 0.668 538 G HN 0.224 nan 8.290 nan 0.000 0.516 539 Y N 0.610 120.857 120.300 -0.089 0.000 2.429 539 Y HA 0.588 4.818 4.550 -0.534 0.000 0.342 539 Y C 0.075 175.942 175.900 -0.055 0.000 1.004 539 Y CA -1.288 56.750 58.100 -0.103 0.000 1.075 539 Y CB 1.461 39.856 38.460 -0.109 0.000 1.214 539 Y HN 0.008 nan 8.280 nan 0.000 0.455 540 D N 1.610 122.085 120.400 0.125 0.000 2.308 540 D HA 0.345 4.665 4.640 -0.533 0.000 0.251 540 D C -0.834 175.572 176.300 0.177 0.000 1.127 540 D CA -0.036 54.060 54.000 0.161 0.000 0.876 540 D CB 1.478 42.439 40.800 0.269 0.000 1.176 540 D HN 0.141 nan 8.370 nan 0.000 0.446 541 V N 3.875 123.873 119.914 0.141 0.000 2.350 541 V HA 0.207 4.007 4.120 -0.533 0.000 0.276 541 V C 1.308 177.472 176.094 0.115 0.000 1.028 541 V CA -0.538 61.830 62.300 0.113 0.000 0.860 541 V CB 1.098 32.978 31.823 0.094 0.000 0.990 541 V HN 0.492 nan 8.190 nan 0.000 0.453 542 I N 1.562 122.180 120.570 0.081 0.000 3.956 542 I HA 0.491 4.342 4.170 -0.533 0.000 0.333 542 I C 0.073 176.240 176.117 0.084 0.000 1.302 542 I CA 0.197 61.515 61.300 0.030 0.000 1.122 542 I CB 0.252 38.141 38.000 -0.187 0.000 1.013 542 I HN 0.522 nan 8.210 nan 0.000 0.405 543 Y N 0.697 120.949 120.300 -0.080 0.000 2.765 543 Y HA 0.643 4.874 4.550 -0.531 0.000 0.350 543 Y C -1.021 174.880 175.900 0.001 0.000 1.196 543 Y CA -0.964 57.023 58.100 -0.190 0.000 1.119 543 Y CB 1.076 39.167 38.460 -0.616 0.000 1.368 543 Y HN 0.056 nan 8.280 nan 0.000 0.463 544 G N 1.928 110.282 108.800 -0.743 0.000 2.673 544 G HA2 0.489 4.129 3.960 -0.533 0.000 0.292 544 G HA3 0.489 4.129 3.960 -0.533 0.000 0.292 544 G C -2.402 171.994 174.900 -0.840 0.000 1.450 544 G CA -0.613 44.194 45.100 -0.488 0.000 0.837 544 G HN 0.511 nan 8.290 nan 0.000 0.505 545 D N 0.102 120.232 120.400 -0.450 0.000 2.527 545 D HA 0.422 4.742 4.640 -0.533 0.000 0.242 545 D C 1.029 177.219 176.300 -0.184 0.000 1.285 545 D CA 0.587 54.373 54.000 -0.357 0.000 0.886 545 D CB 0.463 41.134 40.800 -0.215 0.000 1.402 545 D HN 0.482 nan 8.370 nan 0.000 0.528 546 T N 1.255 115.691 114.554 -0.196 0.000 12.892 546 T HA -0.271 3.759 4.350 -0.533 0.000 0.418 546 T C 0.653 175.332 174.700 -0.036 0.000 1.450 546 T CA 2.011 64.049 62.100 -0.103 0.000 2.382 546 T CB -0.894 67.911 68.868 -0.105 0.000 2.816 546 T HN 0.565 nan 8.240 nan 0.000 0.702 547 D N 0.980 121.373 120.400 -0.012 0.000 2.562 547 D HA 0.322 4.642 4.640 -0.533 0.000 0.246 547 D C 0.103 176.496 176.300 0.154 0.000 1.347 547 D CA 0.552 54.614 54.000 0.104 0.000 0.800 547 D CB -0.038 40.829 40.800 0.112 0.000 1.111 547 D HN 0.689 nan 8.370 nan 0.000 0.508 548 S N -0.037 115.687 115.700 0.040 0.000 2.536 548 S HA 0.757 4.907 4.470 -0.533 0.000 0.298 548 S C -0.139 174.461 174.600 0.000 0.000 1.083 548 S CA -0.469 57.725 58.200 -0.009 0.000 0.995 548 S CB 1.996 65.167 63.200 -0.048 0.000 1.058 548 S HN 0.193 nan 8.310 nan 0.000 0.488 549 T N -0.227 114.301 114.554 -0.044 0.000 2.863 549 T HA 0.696 4.726 4.350 -0.533 0.000 0.285 549 T C -1.021 173.630 174.700 -0.083 0.000 1.009 549 T CA -0.660 61.456 62.100 0.028 0.000 0.989 549 T CB 0.601 69.486 68.868 0.028 0.000 1.004 549 T HN 0.517 nan 8.240 nan 0.000 0.455 550 F N 1.684 121.548 119.950 -0.143 0.000 2.388 550 F HA 0.539 4.746 4.527 -0.534 0.000 0.358 550 F C -0.110 175.578 175.800 -0.187 0.000 1.122 550 F CA -0.983 56.882 58.000 -0.224 0.000 1.056 550 F CB 1.762 40.574 39.000 -0.312 0.000 1.155 550 F HN 0.370 nan 8.300 nan 0.000 0.461 551 V N 2.958 122.821 119.914 -0.085 0.000 2.370 551 V HA 0.169 3.969 4.120 -0.533 0.000 0.283 551 V C -0.905 175.189 176.094 0.000 0.000 1.023 551 V CA -0.879 61.393 62.300 -0.047 0.000 0.857 551 V CB 1.131 32.869 31.823 -0.142 0.000 0.985 551 V HN 0.698 nan 8.190 nan 0.000 0.443 552 W N 7.079 128.295 121.300 -0.140 0.000 2.349 552 W HA 0.681 5.020 4.660 -0.534 0.000 0.309 552 W C -1.045 175.478 176.519 0.006 0.000 1.083 552 W CA -1.560 55.713 57.345 -0.119 0.000 1.224 552 W CB 0.925 30.302 29.460 -0.139 0.000 1.256 552 W HN 0.455 nan 8.180 nan 0.000 0.461 553 L N 7.115 128.256 121.223 -0.138 0.000 2.264 553 L HA 0.306 4.326 4.340 -0.533 0.000 0.289 553 L C 0.369 176.956 176.870 -0.472 0.000 1.044 553 L CA -1.198 53.484 54.840 -0.263 0.000 0.807 553 L CB 0.602 42.358 42.059 -0.505 0.000 1.192 553 L HN 0.228 nan 8.230 nan 0.000 0.425 554 K N 2.773 122.769 120.400 -0.673 0.000 2.484 554 K HA 0.440 4.440 4.320 -0.533 0.000 0.280 554 K C 0.660 177.232 176.600 -0.047 0.000 1.013 554 K CA 0.825 56.711 56.287 -0.668 0.000 1.029 554 K CB 0.168 32.324 32.500 -0.574 0.000 0.902 554 K HN 0.819 nan 8.250 nan 0.000 0.481 555 G N 1.023 109.928 108.800 0.175 0.000 2.828 555 G HA2 -0.001 3.639 3.960 -0.533 0.000 0.463 555 G HA3 -0.001 3.639 3.960 -0.533 0.000 0.463 555 G C -0.641 174.445 174.900 0.310 0.000 1.394 555 G CA -0.630 44.606 45.100 0.227 0.000 0.862 555 G HN 0.797 nan 8.290 nan 0.000 0.540 556 A N 0.583 123.541 122.820 0.229 0.000 2.331 556 A HA 0.725 4.725 4.320 -0.533 0.000 0.283 556 A C 0.222 177.929 177.584 0.206 0.000 1.142 556 A CA -0.022 52.157 52.037 0.236 0.000 0.812 556 A CB 0.389 19.480 19.000 0.151 0.000 1.074 556 A HN 0.865 nan 8.150 nan 0.000 0.497 557 H N 0.819 119.958 119.070 0.115 0.000 2.679 557 H HA 0.421 4.657 4.556 -0.533 0.000 0.367 557 H C 0.126 175.493 175.328 0.065 0.000 1.162 557 H CA -0.339 55.741 56.048 0.053 0.000 1.181 557 H CB 2.255 32.013 29.762 -0.006 0.000 1.693 557 H HN 0.847 nan 8.280 nan 0.000 0.538 558 S N 1.084 116.839 115.700 0.092 0.000 2.624 558 S HA 0.036 4.186 4.470 -0.533 0.000 0.263 558 S C 1.114 175.734 174.600 0.033 0.000 1.287 558 S CA -0.791 57.448 58.200 0.064 0.000 0.990 558 S CB 1.409 64.617 63.200 0.013 0.000 0.950 558 S HN 0.624 nan 8.310 nan 0.000 0.561 559 E N 1.267 121.498 120.200 0.052 0.000 2.047 559 E HA -0.133 3.898 4.350 -0.533 0.000 0.191 559 E C 1.882 178.453 176.600 -0.048 0.000 0.987 559 E CA 1.260 57.674 56.400 0.024 0.000 0.799 559 E CB -0.474 29.278 29.700 0.086 0.000 0.752 559 E HN 0.812 nan 8.360 nan 0.000 0.449 560 E N 0.402 120.588 120.200 -0.023 0.000 2.110 560 E HA -0.212 3.818 4.350 -0.533 0.000 0.193 560 E C 1.985 178.545 176.600 -0.068 0.000 0.988 560 E CA 1.206 57.584 56.400 -0.037 0.000 0.804 560 E CB 0.057 29.744 29.700 -0.022 0.000 0.745 560 E HN 0.086 nan 8.360 nan 0.000 0.458 561 E N 0.518 120.684 120.200 -0.058 0.000 2.152 561 E HA -0.069 3.961 4.350 -0.533 0.000 0.192 561 E C 1.657 178.205 176.600 -0.088 0.000 0.983 561 E CA 1.119 57.492 56.400 -0.045 0.000 0.818 561 E CB -0.070 29.625 29.700 -0.007 0.000 0.758 561 E HN 0.211 nan 8.360 nan 0.000 0.467 562 A N 0.732 123.436 122.820 -0.194 0.000 1.929 562 A HA 0.106 4.106 4.320 -0.533 0.000 0.216 562 A C 2.407 179.729 177.584 -0.437 0.000 1.176 562 A CA 1.589 53.364 52.037 -0.437 0.000 0.628 562 A CB -0.818 17.528 19.000 -1.091 0.000 0.816 562 A HN 0.380 nan 8.150 nan 0.000 0.444 563 A N -0.353 122.287 122.820 -0.300 0.000 1.968 563 A HA -0.091 3.909 4.320 -0.533 0.000 0.217 563 A C 2.095 179.453 177.584 -0.375 0.000 1.169 563 A CA 1.786 53.645 52.037 -0.297 0.000 0.638 563 A CB -0.365 18.613 19.000 -0.037 0.000 0.812 563 A HN 0.516 nan 8.150 nan 0.000 0.446 564 K N -0.311 119.942 120.400 -0.245 0.000 2.057 564 K HA -0.044 3.956 4.320 -0.533 0.000 0.206 564 K C 1.738 178.189 176.600 -0.249 0.000 1.050 564 K CA 1.484 57.654 56.287 -0.195 0.000 0.935 564 K CB -0.266 32.163 32.500 -0.117 0.000 0.715 564 K HN 0.503 nan 8.250 nan 0.000 0.439 565 I N 0.219 120.615 120.570 -0.291 0.000 2.315 565 I HA -0.163 3.687 4.170 -0.533 0.000 0.248 565 I C 2.381 178.217 176.117 -0.467 0.000 1.117 565 I CA 1.221 62.322 61.300 -0.332 0.000 1.404 565 I CB -0.453 37.314 38.000 -0.388 0.000 1.071 565 I HN 0.343 nan 8.210 nan 0.000 0.419 566 G N 0.829 109.214 108.800 -0.692 0.000 2.446 566 G HA2 -0.227 3.413 3.960 -0.533 0.000 0.217 566 G HA3 -0.227 3.413 3.960 -0.533 0.000 0.217 566 G C 1.802 176.321 174.900 -0.636 0.000 1.168 566 G CA 0.470 45.011 45.100 -0.932 0.000 0.771 566 G HN 0.286 nan 8.290 nan 0.000 0.551 567 R N 0.498 120.665 120.500 -0.555 0.000 2.120 567 R HA 0.059 4.079 4.340 -0.533 0.000 0.234 567 R C 2.985 179.188 176.300 -0.163 0.000 1.123 567 R CA 0.996 56.942 56.100 -0.257 0.000 0.975 567 R CB -0.332 29.861 30.300 -0.177 0.000 0.866 567 R HN 0.364 nan 8.270 nan 0.000 0.446 568 A N 1.359 124.071 122.820 -0.180 0.000 1.898 568 A HA -0.104 3.896 4.320 -0.533 0.000 0.216 568 A C 2.175 179.727 177.584 -0.053 0.000 1.181 568 A CA 1.072 53.050 52.037 -0.100 0.000 0.620 568 A CB -0.449 18.489 19.000 -0.104 0.000 0.819 568 A HN 0.155 nan 8.150 nan 0.000 0.442 569 L N -0.080 121.080 121.223 -0.104 0.000 2.093 569 L HA -0.138 3.882 4.340 -0.533 0.000 0.208 569 L C 2.672 179.542 176.870 0.001 0.000 1.085 569 L CA 1.364 56.185 54.840 -0.031 0.000 0.755 569 L CB -0.652 41.332 42.059 -0.124 0.000 0.904 569 L HN 0.442 nan 8.230 nan 0.000 0.435 570 V N -1.932 117.952 119.914 -0.051 0.000 2.453 570 V HA -0.225 3.575 4.120 -0.533 0.000 0.247 570 V C 2.373 178.482 176.094 0.025 0.000 1.048 570 V CA 1.584 63.867 62.300 -0.028 0.000 1.049 570 V CB -0.540 31.255 31.823 -0.047 0.000 0.672 570 V HN 0.540 nan 8.190 nan 0.000 0.457 571 Q N 0.195 120.016 119.800 0.034 0.000 2.084 571 Q HA -0.308 3.712 4.340 -0.533 0.000 0.202 571 Q C 2.349 178.419 176.000 0.116 0.000 0.978 571 Q CA 2.442 58.284 55.803 0.065 0.000 0.844 571 Q CB -0.740 28.026 28.738 0.047 0.000 0.898 571 Q HN 0.946 nan 8.270 nan 0.000 0.426 572 H N -0.286 118.796 119.070 0.020 0.000 2.357 572 H HA -0.058 4.179 4.556 -0.531 0.000 0.301 572 H C 1.940 177.309 175.328 0.068 0.000 1.082 572 H CA 1.507 57.577 56.048 0.036 0.000 1.342 572 H CB 0.407 30.168 29.762 -0.001 0.000 1.389 572 H HN 0.148 nan 8.280 nan 0.000 0.511 573 V N 1.675 121.510 119.914 -0.132 0.000 2.427 573 V HA -0.217 3.584 4.120 -0.533 0.000 0.248 573 V C 1.989 178.151 176.094 0.113 0.000 1.051 573 V CA 1.813 64.018 62.300 -0.159 0.000 1.048 573 V CB -0.510 31.308 31.823 -0.010 0.000 0.666 573 V HN 0.448 nan 8.190 nan 0.000 0.456 574 N N 0.685 119.498 118.700 0.188 0.000 2.188 574 N HA -0.070 4.350 4.740 -0.533 0.000 0.184 574 N C 1.807 177.460 175.510 0.239 0.000 1.018 574 N CA 1.475 54.697 53.050 0.286 0.000 0.858 574 N CB -0.476 38.123 38.487 0.185 0.000 0.989 574 N HN 0.475 nan 8.380 nan 0.000 0.426 575 A N -0.659 122.252 122.820 0.152 0.000 1.930 575 A HA -0.109 3.891 4.320 -0.533 0.000 0.217 575 A C 2.101 179.742 177.584 0.096 0.000 1.175 575 A CA 0.905 53.010 52.037 0.113 0.000 0.627 575 A CB -1.082 17.981 19.000 0.105 0.000 0.815 575 A HN 0.516 nan 8.150 nan 0.000 0.443 576 W N -0.670 120.547 121.300 -0.138 0.000 2.363 576 W HA -0.175 4.163 4.660 -0.536 0.000 0.296 576 W C 1.912 178.325 176.519 -0.177 0.000 1.212 576 W CA 1.728 58.925 57.345 -0.246 0.000 1.260 576 W CB -0.325 28.834 29.460 -0.501 0.000 1.131 576 W HN 0.476 nan 8.180 nan 0.000 0.530 577 W N -0.358 121.100 121.300 0.263 0.000 2.388 577 W HA -0.090 4.252 4.660 -0.531 0.000 0.294 577 W C 2.551 179.043 176.519 -0.046 0.000 1.212 577 W CA 1.429 58.859 57.345 0.142 0.000 1.271 577 W CB -0.798 28.804 29.460 0.236 0.000 1.126 577 W HN -0.095 nan 8.180 nan 0.000 0.535 578 A N 0.020 122.948 122.820 0.181 0.000 1.897 578 A HA -0.214 3.786 4.320 -0.533 0.000 0.215 578 A C 1.869 179.430 177.584 -0.040 0.000 1.181 578 A CA 1.728 53.799 52.037 0.057 0.000 0.620 578 A CB -0.825 18.206 19.000 0.051 0.000 0.821 578 A HN 0.375 nan 8.150 nan 0.000 0.443 579 E N -0.587 119.549 120.200 -0.107 0.000 2.031 579 E HA -0.173 3.857 4.350 -0.533 0.000 0.193 579 E C 1.940 178.401 176.600 -0.232 0.000 0.994 579 E CA 1.769 58.066 56.400 -0.172 0.000 0.800 579 E CB -0.187 29.378 29.700 -0.225 0.000 0.752 579 E HN 0.495 nan 8.360 nan 0.000 0.447 580 T N 1.339 115.661 114.554 -0.387 0.000 2.737 580 T HA -0.103 3.927 4.350 -0.533 0.000 0.265 580 T C 1.723 176.331 174.700 -0.155 0.000 1.038 580 T CA 0.707 62.585 62.100 -0.371 0.000 1.144 580 T CB -0.136 68.331 68.868 -0.667 0.000 0.866 580 T HN 0.055 nan 8.240 nan 0.000 0.434 581 L N 1.413 122.592 121.223 -0.073 0.000 2.093 581 L HA -0.001 4.019 4.340 -0.533 0.000 0.208 581 L C 2.545 179.379 176.870 -0.060 0.000 1.085 581 L CA 1.556 56.381 54.840 -0.025 0.000 0.755 581 L CB -1.048 41.009 42.059 -0.003 0.000 0.904 581 L HN 0.321 nan 8.230 nan 0.000 0.435 582 Q N -0.574 119.186 119.800 -0.067 0.000 2.124 582 Q HA -0.249 3.772 4.340 -0.533 0.000 0.202 582 Q C 2.141 178.109 176.000 -0.053 0.000 0.977 582 Q CA 1.472 57.239 55.803 -0.060 0.000 0.850 582 Q CB 0.037 28.740 28.738 -0.057 0.000 0.901 582 Q HN 0.378 nan 8.270 nan 0.000 0.429 583 K N -0.079 120.284 120.400 -0.062 0.000 2.280 583 K HA -0.145 3.856 4.320 -0.533 0.000 0.202 583 K C 1.543 178.125 176.600 -0.030 0.000 1.047 583 K CA 1.162 57.419 56.287 -0.050 0.000 0.942 583 K CB 0.168 32.627 32.500 -0.067 0.000 0.739 583 K HN 0.341 nan 8.250 nan 0.000 0.457 584 Q N -0.330 119.455 119.800 -0.025 0.000 2.360 584 Q HA 0.126 4.146 4.340 -0.533 0.000 0.202 584 Q C -0.450 175.548 176.000 -0.004 0.000 0.915 584 Q CA -0.100 55.702 55.803 -0.002 0.000 0.943 584 Q CB 0.713 29.459 28.738 0.013 0.000 1.064 584 Q HN 0.129 nan 8.270 nan 0.000 0.511 585 R N -0.362 120.126 120.500 -0.021 0.000 3.776 585 R HA -0.168 3.852 4.340 -0.533 0.000 0.312 585 R C -0.672 175.607 176.300 -0.035 0.000 1.181 585 R CA 0.584 56.670 56.100 -0.022 0.000 0.836 585 R CB -2.406 27.890 30.300 -0.007 0.000 1.324 585 R HN 0.274 nan 8.270 nan 0.000 0.501 586 L N 0.266 121.451 121.223 -0.062 0.000 2.334 586 L HA 0.485 4.506 4.340 -0.533 0.000 0.270 586 L C 0.736 177.530 176.870 -0.127 0.000 1.018 586 L CA -0.635 54.138 54.840 -0.112 0.000 0.811 586 L CB 2.047 43.999 42.059 -0.178 0.000 1.271 586 L HN -0.149 nan 8.230 nan 0.000 0.443 587 T N 0.444 114.905 114.554 -0.155 0.000 2.824 587 T HA 0.229 4.259 4.350 -0.533 0.000 0.280 587 T C -0.244 174.340 174.700 -0.194 0.000 0.995 587 T CA -0.327 61.689 62.100 -0.140 0.000 1.009 587 T CB 1.591 70.389 68.868 -0.117 0.000 0.955 587 T HN 0.514 nan 8.240 nan 0.000 0.452 588 S N 1.469 117.080 115.700 -0.148 0.000 2.457 588 S HA 0.552 4.702 4.470 -0.533 0.000 0.289 588 S C 0.735 175.259 174.600 -0.126 0.000 1.163 588 S CA -0.684 57.423 58.200 -0.155 0.000 1.078 588 S CB 0.484 63.656 63.200 -0.045 0.000 0.987 588 S HN 0.804 nan 8.310 nan 0.000 0.482 589 A N 5.452 128.174 122.820 -0.163 0.000 2.465 589 A HA 0.403 4.403 4.320 -0.533 0.000 0.255 589 A C 0.320 177.903 177.584 -0.001 0.000 1.274 589 A CA -0.342 51.603 52.037 -0.154 0.000 0.920 589 A CB -0.148 18.684 19.000 -0.280 0.000 1.033 589 A HN 0.786 nan 8.150 nan 0.000 0.516 590 L N 1.194 122.426 121.223 0.015 0.000 2.407 590 L HA 0.249 4.270 4.340 -0.533 0.000 0.282 590 L C 0.135 177.175 176.870 0.284 0.000 1.110 590 L CA 0.180 55.092 54.840 0.119 0.000 0.863 590 L CB 0.239 42.215 42.059 -0.139 0.000 1.207 590 L HN 0.320 nan 8.230 nan 0.000 0.454 591 E N 3.535 123.948 120.200 0.354 0.000 2.149 591 E HA 0.258 4.288 4.350 -0.533 0.000 0.255 591 E C -0.972 175.669 176.600 0.069 0.000 0.888 591 E CA -0.879 55.664 56.400 0.239 0.000 0.742 591 E CB 1.547 31.395 29.700 0.247 0.000 1.164 591 E HN 0.364 nan 8.360 nan 0.000 0.422 592 L N 3.514 124.617 121.223 -0.199 0.000 2.397 592 L HA 0.266 4.286 4.340 -0.533 0.000 0.271 592 L C -0.535 176.199 176.870 -0.227 0.000 1.148 592 L CA 0.517 54.982 54.840 -0.626 0.000 0.825 592 L CB 0.767 42.433 42.059 -0.656 0.000 1.117 592 L HN 0.461 nan 8.230 nan 0.000 0.456 593 E N 2.913 122.989 120.200 -0.207 0.000 2.288 593 E HA 0.196 4.226 4.350 -0.533 0.000 0.268 593 E C -1.827 174.733 176.600 -0.066 0.000 0.885 593 E CA -0.831 55.514 56.400 -0.092 0.000 0.767 593 E CB 1.983 31.632 29.700 -0.084 0.000 1.220 593 E HN 0.504 nan 8.360 nan 0.000 0.427 594 Y N 2.238 122.447 120.300 -0.153 0.000 2.365 594 Y HA 0.151 4.381 4.550 -0.534 0.000 0.340 594 Y C 0.525 176.322 175.900 -0.171 0.000 1.016 594 Y CA 0.311 58.308 58.100 -0.173 0.000 1.196 594 Y CB 0.654 39.023 38.460 -0.153 0.000 1.167 594 Y HN 0.616 nan 8.280 nan 0.000 0.509 595 E N 2.591 122.456 120.200 -0.559 0.000 2.110 595 E HA 0.132 4.162 4.350 -0.533 0.000 0.194 595 E C -0.319 175.838 176.600 -0.738 0.000 0.944 595 E CA 0.721 56.788 56.400 -0.555 0.000 0.899 595 E CB 0.472 29.946 29.700 -0.376 0.000 0.907 595 E HN 0.592 nan 8.360 nan 0.000 0.473 596 T N -0.439 113.671 114.554 -0.740 0.000 2.906 596 T HA 0.340 4.370 4.350 -0.533 0.000 0.295 596 T C -1.257 173.123 174.700 -0.534 0.000 1.075 596 T CA -0.673 60.996 62.100 -0.719 0.000 1.005 596 T CB 1.938 70.251 68.868 -0.926 0.000 1.136 596 T HN 0.138 nan 8.240 nan 0.000 0.498 597 H N 1.048 119.825 119.070 -0.488 0.000 2.708 597 H HA 0.563 4.799 4.556 -0.533 0.000 0.320 597 H C -1.827 173.350 175.328 -0.251 0.000 0.991 597 H CA -1.325 54.599 56.048 -0.206 0.000 1.243 597 H CB 0.014 29.771 29.762 -0.008 0.000 1.446 597 H HN 0.374 nan 8.280 nan 0.000 0.502 598 F N 5.151 124.889 119.950 -0.354 0.000 2.391 598 F HA 0.158 4.365 4.527 -0.534 0.000 0.359 598 F C 1.645 177.136 175.800 -0.514 0.000 1.122 598 F CA -0.663 57.139 58.000 -0.330 0.000 1.120 598 F CB 0.669 39.631 39.000 -0.063 0.000 1.142 598 F HN 0.847 nan 8.300 nan 0.000 0.483 599 C N 2.097 121.185 119.300 -0.353 0.000 2.435 599 C HA 0.177 4.317 4.460 -0.533 0.000 0.279 599 C C 0.886 175.816 174.990 -0.101 0.000 1.321 599 C CA 0.164 59.020 59.018 -0.270 0.000 1.752 599 C CB -0.496 27.159 27.740 -0.141 0.000 1.959 599 C HN 0.556 nan 8.230 nan 0.000 0.500 600 R N 0.060 120.442 120.500 -0.197 0.000 2.532 600 R HA 0.599 4.619 4.340 -0.533 0.000 0.297 600 R C -1.740 174.307 176.300 -0.422 0.000 0.984 600 R CA -0.349 55.557 56.100 -0.324 0.000 0.884 600 R CB 1.765 31.707 30.300 -0.597 0.000 1.182 600 R HN 0.515 nan 8.270 nan 0.000 0.442 601 F N 3.248 123.001 119.950 -0.329 0.000 2.540 601 F HA 0.527 4.734 4.527 -0.533 0.000 0.317 601 F C -1.444 174.287 175.800 -0.114 0.000 1.104 601 F CA -1.205 56.611 58.000 -0.307 0.000 0.913 601 F CB 1.483 40.380 39.000 -0.171 0.000 1.170 601 F HN 0.345 nan 8.300 nan 0.000 0.450 602 L N 7.256 128.096 121.223 -0.639 0.000 2.356 602 L HA 0.692 4.712 4.340 -0.533 0.000 0.277 602 L C -1.675 174.739 176.870 -0.760 0.000 0.996 602 L CA -0.713 53.861 54.840 -0.443 0.000 0.822 602 L CB 1.650 43.584 42.059 -0.208 0.000 1.256 602 L HN 0.734 nan 8.230 nan 0.000 0.413 603 M N 7.934 127.233 119.600 -0.502 0.000 2.085 603 M HA 0.668 4.829 4.480 -0.533 0.000 0.309 603 M C -2.615 173.523 176.300 -0.269 0.000 0.947 603 M CA -2.365 52.684 55.300 -0.418 0.000 0.918 603 M CB 1.509 33.979 32.600 -0.217 0.000 1.504 603 M HN 0.328 nan 8.290 nan 0.000 0.420 604 P HA 0.419 nan 4.420 nan 0.000 0.274 604 P C -1.021 176.316 177.300 0.063 0.000 1.260 604 P CA -0.263 62.867 63.100 0.051 0.000 0.793 604 P CB 0.554 32.248 31.700 -0.010 0.000 1.048 605 T N -2.412 112.212 114.554 0.117 0.000 2.932 605 T HA 0.664 4.694 4.350 -0.533 0.000 0.289 605 T C 0.468 175.178 174.700 0.016 0.000 1.039 605 T CA -1.003 61.138 62.100 0.068 0.000 1.024 605 T CB 0.605 69.526 68.868 0.088 0.000 1.090 605 T HN 0.366 nan 8.240 nan 0.000 0.496 606 I N -0.642 119.932 120.570 0.007 0.000 2.882 606 I HA 0.377 4.228 4.170 -0.533 0.000 0.286 606 I C 0.262 176.374 176.117 -0.008 0.000 1.139 606 I CA -1.106 60.193 61.300 -0.001 0.000 1.379 606 I CB 0.424 38.429 38.000 0.008 0.000 1.410 606 I HN 0.629 nan 8.210 nan 0.000 0.594 607 R N 3.094 123.588 120.500 -0.011 0.000 2.570 607 R HA 0.270 4.290 4.340 -0.533 0.000 0.277 607 R C 0.936 177.227 176.300 -0.015 0.000 1.039 607 R CA 0.510 56.598 56.100 -0.020 0.000 1.065 607 R CB -0.051 30.241 30.300 -0.014 0.000 0.964 607 R HN 1.111 nan 8.270 nan 0.000 0.428 608 G N 0.168 108.954 108.800 -0.023 0.000 2.147 608 G HA2 -0.188 3.452 3.960 -0.533 0.000 0.244 608 G HA3 -0.188 3.452 3.960 -0.533 0.000 0.244 608 G C -0.117 174.777 174.900 -0.010 0.000 1.005 608 G CA 0.163 45.254 45.100 -0.016 0.000 0.713 608 G HN 0.951 nan 8.290 nan 0.000 0.515 609 A N -1.538 121.275 122.820 -0.012 0.000 2.602 609 A HA 0.751 4.751 4.320 -0.533 0.000 0.290 609 A C -0.058 177.525 177.584 -0.001 0.000 1.114 609 A CA 0.293 52.329 52.037 -0.001 0.000 0.683 609 A CB 0.654 19.659 19.000 0.009 0.000 1.281 609 A HN 0.011 nan 8.150 nan 0.000 0.416 610 D N 0.264 120.672 120.400 0.013 0.000 2.398 610 D HA 0.183 4.503 4.640 -0.533 0.000 0.210 610 D C 0.272 176.599 176.300 0.046 0.000 1.094 610 D CA 0.745 54.762 54.000 0.028 0.000 0.839 610 D CB 0.445 41.261 40.800 0.026 0.000 0.963 610 D HN 0.496 nan 8.370 nan 0.000 0.506 611 T N 0.172 114.748 114.554 0.037 0.000 2.918 611 T HA 0.451 4.481 4.350 -0.533 0.000 0.302 611 T C 0.850 175.573 174.700 0.039 0.000 1.045 611 T CA -0.414 61.709 62.100 0.040 0.000 1.114 611 T CB 1.339 70.228 68.868 0.035 0.000 0.965 611 T HN 0.052 nan 8.240 nan 0.000 0.540 612 G N 1.089 109.909 108.800 0.034 0.000 2.403 612 G HA2 0.429 4.069 3.960 -0.533 0.000 0.259 612 G HA3 0.429 4.069 3.960 -0.533 0.000 0.259 612 G C -0.001 174.893 174.900 -0.010 0.000 1.244 612 G CA -0.472 44.632 45.100 0.006 0.000 0.849 612 G HN 0.689 nan 8.290 nan 0.000 0.532 613 S N 0.961 116.628 115.700 -0.054 0.000 2.654 613 S HA 0.553 4.704 4.470 -0.533 0.000 0.283 613 S C 0.118 174.657 174.600 -0.101 0.000 1.180 613 S CA -0.668 57.500 58.200 -0.053 0.000 1.021 613 S CB 0.858 64.026 63.200 -0.053 0.000 1.018 613 S HN 0.506 nan 8.310 nan 0.000 0.532 614 K N 1.816 122.216 120.400 0.000 0.000 2.156 614 K HA 0.418 4.418 4.320 -0.533 0.000 0.254 614 K C -0.359 176.305 176.600 0.106 0.000 0.950 614 K CA -0.870 55.485 56.287 0.114 0.000 0.849 614 K CB 1.125 33.727 32.500 0.171 0.000 1.100 614 K HN 0.697 nan 8.250 nan 0.000 0.434 615 K N 0.793 121.345 120.400 0.254 0.000 3.069 615 K HA -0.264 3.736 4.320 -0.533 0.000 0.267 615 K C -0.448 176.195 176.600 0.072 0.000 1.082 615 K CA 0.742 57.160 56.287 0.218 0.000 0.782 615 K CB -1.117 31.466 32.500 0.138 0.000 1.230 615 K HN 0.549 nan 8.250 nan 0.000 0.488 616 R N 0.758 121.268 120.500 0.016 0.000 2.518 616 R HA 0.379 4.400 4.340 -0.533 0.000 0.296 616 R C -1.493 174.742 176.300 -0.108 0.000 1.080 616 R CA -0.758 55.284 56.100 -0.097 0.000 0.922 616 R CB 0.958 31.198 30.300 -0.100 0.000 1.184 616 R HN 0.263 nan 8.270 nan 0.000 0.445 617 Y N 0.214 120.370 120.300 -0.240 0.000 2.558 617 Y HA 0.801 5.031 4.550 -0.533 0.000 0.333 617 Y C -1.744 173.922 175.900 -0.388 0.000 1.125 617 Y CA -1.244 56.582 58.100 -0.456 0.000 1.039 617 Y CB 1.315 39.425 38.460 -0.583 0.000 1.331 617 Y HN 0.487 nan 8.280 nan 0.000 0.456 618 A N 1.412 123.994 122.820 -0.397 0.000 2.393 618 A HA 0.967 4.967 4.320 -0.533 0.000 0.306 618 A C -0.523 176.746 177.584 -0.525 0.000 1.050 618 A CA -0.356 51.422 52.037 -0.432 0.000 0.724 618 A CB 1.331 20.208 19.000 -0.205 0.000 1.248 618 A HN 1.705 nan 8.150 nan 0.000 0.424 619 G N -0.091 108.290 108.800 -0.698 0.000 2.660 619 G HA2 0.600 4.240 3.960 -0.533 0.000 0.294 619 G HA3 0.600 4.240 3.960 -0.533 0.000 0.294 619 G C -1.880 172.703 174.900 -0.528 0.000 1.369 619 G CA -0.553 43.988 45.100 -0.931 0.000 0.912 619 G HN 1.042 nan 8.290 nan 0.000 0.479 620 L N 1.166 122.059 121.223 -0.549 0.000 2.287 620 L HA 0.703 4.723 4.340 -0.533 0.000 0.287 620 L C -0.565 176.303 176.870 -0.005 0.000 1.022 620 L CA -0.698 53.991 54.840 -0.252 0.000 0.814 620 L CB 1.004 42.822 42.059 -0.402 0.000 1.217 620 L HN 0.401 nan 8.230 nan 0.000 0.420 621 I N 4.233 124.836 120.570 0.056 0.000 2.377 621 I HA 0.366 4.217 4.170 -0.533 0.000 0.293 621 I C -0.509 175.605 176.117 -0.006 0.000 0.987 621 I CA -0.658 60.648 61.300 0.009 0.000 1.185 621 I CB 1.892 39.889 38.000 -0.005 0.000 1.341 621 I HN 0.612 nan 8.210 nan 0.000 0.455 622 Q N 5.239 125.032 119.800 -0.012 0.000 2.347 622 Q HA 0.288 4.309 4.340 -0.533 0.000 0.262 622 Q C -0.810 175.203 176.000 0.021 0.000 0.980 622 Q CA -0.253 55.560 55.803 0.015 0.000 0.867 622 Q CB 1.069 29.826 28.738 0.032 0.000 1.242 622 Q HN 0.553 nan 8.270 nan 0.000 0.453 623 E N 3.189 123.398 120.200 0.015 0.000 2.815 623 E HA 0.426 4.456 4.350 -0.533 0.000 0.211 623 E C 0.041 176.649 176.600 0.014 0.000 1.004 623 E CA 0.111 56.517 56.400 0.010 0.000 1.173 623 E CB 1.157 30.855 29.700 -0.004 0.000 1.163 623 E HN 0.912 nan 8.360 nan 0.000 0.449 624 G N 0.749 109.561 108.800 0.021 0.000 2.217 624 G HA2 -0.215 3.425 3.960 -0.533 0.000 0.126 624 G HA3 -0.215 3.425 3.960 -0.533 0.000 0.126 624 G C -0.261 174.652 174.900 0.022 0.000 1.293 624 G CA -0.296 44.816 45.100 0.019 0.000 1.219 624 G HN 0.140 nan 8.290 nan 0.000 0.477 625 D N 0.890 121.301 120.400 0.019 0.000 2.183 625 D HA 0.225 4.545 4.640 -0.533 0.000 0.205 625 D C 1.019 177.333 176.300 0.023 0.000 0.962 625 D CA 0.869 54.882 54.000 0.021 0.000 0.849 625 D CB 0.096 40.907 40.800 0.019 0.000 0.978 625 D HN 0.202 nan 8.370 nan 0.000 0.488 626 K N 0.640 121.053 120.400 0.022 0.000 2.168 626 K HA 0.376 4.376 4.320 -0.533 0.000 0.258 626 K C -0.306 176.310 176.600 0.026 0.000 1.010 626 K CA 0.007 56.309 56.287 0.024 0.000 0.929 626 K CB 0.793 33.306 32.500 0.022 0.000 0.998 626 K HN -0.052 nan 8.250 nan 0.000 0.479 627 Q N 1.234 121.053 119.800 0.032 0.000 2.337 627 Q HA 0.368 4.388 4.340 -0.533 0.000 0.270 627 Q C -1.079 174.947 176.000 0.044 0.000 1.043 627 Q CA -0.900 54.924 55.803 0.035 0.000 0.794 627 Q CB 2.308 31.071 28.738 0.042 0.000 1.281 627 Q HN 0.550 nan 8.270 nan 0.000 0.446 628 R N 2.715 123.241 120.500 0.043 0.000 2.686 628 R HA 0.615 4.636 4.340 -0.533 0.000 0.286 628 R C -1.095 175.248 176.300 0.071 0.000 0.969 628 R CA -0.725 55.410 56.100 0.059 0.000 0.898 628 R CB 1.541 31.870 30.300 0.048 0.000 1.183 628 R HN 0.492 nan 8.270 nan 0.000 0.456 629 M N 2.619 122.275 119.600 0.093 0.000 2.277 629 M HA 0.343 4.503 4.480 -0.533 0.000 0.350 629 M C -0.794 175.534 176.300 0.046 0.000 1.180 629 M CA -1.018 54.316 55.300 0.056 0.000 1.103 629 M CB 2.156 34.816 32.600 0.100 0.000 1.577 629 M HN 0.360 nan 8.290 nan 0.000 0.459 630 V N 3.709 123.590 119.914 -0.055 0.000 2.444 630 V HA 0.462 4.262 4.120 -0.533 0.000 0.294 630 V C -1.132 174.819 176.094 -0.238 0.000 1.022 630 V CA -0.454 61.852 62.300 0.010 0.000 0.850 630 V CB 1.450 33.417 31.823 0.239 0.000 0.992 630 V HN 0.581 nan 8.190 nan 0.000 0.426 631 F N 4.590 124.493 119.950 -0.078 0.000 2.458 631 F HA 0.627 4.833 4.527 -0.533 0.000 0.336 631 F C 0.430 176.067 175.800 -0.273 0.000 1.114 631 F CA -0.602 57.286 58.000 -0.187 0.000 0.987 631 F CB 1.766 40.651 39.000 -0.191 0.000 1.130 631 F HN 0.140 nan 8.300 nan 0.000 0.458 632 K N 1.704 121.921 120.400 -0.306 0.000 2.463 632 K HA 0.460 4.460 4.320 -0.533 0.000 0.255 632 K C 0.601 177.013 176.600 -0.314 0.000 0.942 632 K CA -0.015 56.020 56.287 -0.419 0.000 0.814 632 K CB 1.602 33.511 32.500 -0.986 0.000 1.122 632 K HN 0.796 nan 8.250 nan 0.000 0.425 633 G N 2.230 110.928 108.800 -0.170 0.000 2.245 633 G HA2 -0.289 3.351 3.960 -0.533 0.000 0.264 633 G HA3 -0.289 3.351 3.960 -0.533 0.000 0.264 633 G C 0.408 175.213 174.900 -0.157 0.000 0.985 633 G CA 0.368 45.394 45.100 -0.125 0.000 0.625 633 G HN 0.450 nan 8.290 nan 0.000 0.536 634 L N -0.044 121.071 121.223 -0.179 0.000 2.476 634 L HA 0.337 4.357 4.340 -0.533 0.000 0.255 634 L C 1.988 178.617 176.870 -0.403 0.000 1.218 634 L CA -0.147 54.537 54.840 -0.260 0.000 0.819 634 L CB 0.222 42.184 42.059 -0.163 0.000 1.119 634 L HN 0.116 nan 8.230 nan 0.000 0.485 635 E N -0.011 119.805 120.200 -0.640 0.000 2.118 635 E HA -0.178 3.853 4.350 -0.533 0.000 0.195 635 E C 1.821 178.114 176.600 -0.513 0.000 0.992 635 E CA 1.646 57.522 56.400 -0.874 0.000 0.804 635 E CB -0.244 28.663 29.700 -1.322 0.000 0.741 635 E HN 0.666 nan 8.360 nan 0.000 0.458 636 T N 0.067 114.282 114.554 -0.564 0.000 2.760 636 T HA -0.162 3.868 4.350 -0.533 0.000 0.269 636 T C 1.749 176.243 174.700 -0.344 0.000 1.047 636 T CA 1.357 63.119 62.100 -0.563 0.000 1.139 636 T CB -0.166 68.012 68.868 -1.151 0.000 0.855 636 T HN 0.015 nan 8.240 nan 0.000 0.471 637 V N 0.242 119.993 119.914 -0.271 0.000 2.725 637 V HA 0.091 3.891 4.120 -0.533 0.000 0.247 637 V C 1.180 177.237 176.094 -0.061 0.000 1.058 637 V CA 0.696 62.916 62.300 -0.133 0.000 1.080 637 V CB -0.378 31.386 31.823 -0.099 0.000 0.713 637 V HN 0.323 nan 8.190 nan 0.000 0.465 638 R N 1.459 121.924 120.500 -0.059 0.000 2.401 638 R HA 0.143 4.163 4.340 -0.533 0.000 0.299 638 R C 1.588 177.981 176.300 0.155 0.000 1.064 638 R CA 0.637 56.785 56.100 0.080 0.000 1.000 638 R CB 0.571 30.972 30.300 0.169 0.000 0.973 638 R HN 0.489 nan 8.270 nan 0.000 0.438 639 T N -1.973 112.666 114.554 0.141 0.000 3.072 639 T HA -0.095 3.936 4.350 -0.533 0.000 0.266 639 T C 1.162 175.961 174.700 0.166 0.000 1.127 639 T CA 0.796 62.976 62.100 0.132 0.000 1.107 639 T CB 0.040 68.979 68.868 0.118 0.000 0.910 639 T HN 0.426 nan 8.240 nan 0.000 0.513 640 D N 0.311 120.851 120.400 0.234 0.000 2.178 640 D HA 0.062 4.382 4.640 -0.533 0.000 0.201 640 D C 0.000 176.411 176.300 0.185 0.000 0.980 640 D CA 0.668 54.806 54.000 0.230 0.000 0.842 640 D CB 0.071 41.085 40.800 0.356 0.000 0.948 640 D HN 0.528 nan 8.370 nan 0.000 0.472 641 W N 0.437 121.783 121.300 0.076 0.000 2.415 641 W HA 0.327 4.667 4.660 -0.533 0.000 0.355 641 W C 0.678 177.182 176.519 -0.025 0.000 1.161 641 W CA -0.859 56.526 57.345 0.067 0.000 1.315 641 W CB 0.118 29.581 29.460 0.006 0.000 1.261 641 W HN -0.307 nan 8.180 nan 0.000 0.636 642 T N -1.161 113.415 114.554 0.036 0.000 2.882 642 T HA 0.218 4.248 4.350 -0.533 0.000 0.287 642 T C -1.932 172.761 174.700 -0.011 0.000 1.014 642 T CA -1.445 60.579 62.100 -0.127 0.000 1.049 642 T CB 1.376 70.053 68.868 -0.318 0.000 1.001 642 T HN 0.065 nan 8.240 nan 0.000 0.525 643 P HA -0.039 nan 4.420 nan 0.000 0.217 643 P C 1.812 179.101 177.300 -0.019 0.000 1.150 643 P CA 0.392 63.473 63.100 -0.032 0.000 0.832 643 P CB -0.121 31.549 31.700 -0.050 0.000 0.787 644 L N -0.212 120.983 121.223 -0.046 0.000 1.990 644 L HA -0.194 3.826 4.340 -0.533 0.000 0.213 644 L C 2.189 179.091 176.870 0.053 0.000 1.072 644 L CA 2.677 57.496 54.840 -0.035 0.000 0.755 644 L CB -1.304 40.691 42.059 -0.107 0.000 0.889 644 L HN -0.097 nan 8.230 nan 0.000 0.432 645 A N -1.446 121.438 122.820 0.106 0.000 1.970 645 A HA -0.139 3.861 4.320 -0.533 0.000 0.216 645 A C 2.177 179.836 177.584 0.126 0.000 1.170 645 A CA 1.311 53.477 52.037 0.216 0.000 0.645 645 A CB -0.479 18.718 19.000 0.328 0.000 0.816 645 A HN 0.684 nan 8.150 nan 0.000 0.447 646 Q N -0.616 119.210 119.800 0.043 0.000 2.119 646 Q HA -0.200 3.821 4.340 -0.533 0.000 0.201 646 Q C 2.220 178.153 176.000 -0.110 0.000 0.972 646 Q CA 1.631 57.375 55.803 -0.099 0.000 0.847 646 Q CB -0.158 28.530 28.738 -0.084 0.000 0.903 646 Q HN 0.758 nan 8.270 nan 0.000 0.433 647 Q N -0.470 119.330 119.800 0.000 0.000 2.119 647 Q HA -0.147 3.873 4.340 -0.533 0.000 0.201 647 Q C 1.779 177.868 176.000 0.147 0.000 0.972 647 Q CA 0.992 56.821 55.803 0.043 0.000 0.847 647 Q CB -0.082 28.703 28.738 0.078 0.000 0.903 647 Q HN 0.278 nan 8.270 nan 0.000 0.433 648 F N 1.598 121.561 119.950 0.021 0.000 2.102 648 F HA -0.222 3.985 4.527 -0.533 0.000 0.298 648 F C 2.309 178.142 175.800 0.055 0.000 1.105 648 F CA 1.807 59.872 58.000 0.108 0.000 1.239 648 F CB -0.361 38.673 39.000 0.057 0.000 0.991 648 F HN 0.030 nan 8.300 nan 0.000 0.474 649 Q N -0.217 119.454 119.800 -0.214 0.000 2.079 649 Q HA -0.234 3.786 4.340 -0.533 0.000 0.200 649 Q C 2.300 178.027 176.000 -0.455 0.000 0.974 649 Q CA 1.806 57.306 55.803 -0.506 0.000 0.840 649 Q CB -0.167 28.189 28.738 -0.636 0.000 0.898 649 Q HN 0.580 nan 8.270 nan 0.000 0.430 650 Q N -0.078 119.499 119.800 -0.371 0.000 2.084 650 Q HA -0.206 3.814 4.340 -0.533 0.000 0.202 650 Q C 1.870 177.872 176.000 0.004 0.000 0.978 650 Q CA 1.518 57.218 55.803 -0.171 0.000 0.844 650 Q CB 0.076 28.698 28.738 -0.193 0.000 0.898 650 Q HN 0.332 nan 8.270 nan 0.000 0.426 651 E N 0.329 120.510 120.200 -0.031 0.000 2.072 651 E HA -0.173 3.857 4.350 -0.533 0.000 0.191 651 E C 1.756 178.272 176.600 -0.140 0.000 0.985 651 E CA 0.665 57.023 56.400 -0.071 0.000 0.801 651 E CB -0.002 29.676 29.700 -0.036 0.000 0.750 651 E HN 0.156 nan 8.360 nan 0.000 0.452 652 L N -0.532 120.636 121.223 -0.092 0.000 2.056 652 L HA -0.132 3.889 4.340 -0.533 0.000 0.207 652 L C 1.746 178.552 176.870 -0.105 0.000 1.078 652 L CA 1.593 56.367 54.840 -0.110 0.000 0.749 652 L CB -0.401 41.492 42.059 -0.276 0.000 0.901 652 L HN 0.173 nan 8.230 nan 0.000 0.433 653 Y N -0.783 119.324 120.300 -0.322 0.000 2.242 653 Y HA -0.187 4.043 4.550 -0.533 0.000 0.291 653 Y C 2.370 177.955 175.900 -0.525 0.000 1.137 653 Y CA 1.491 59.275 58.100 -0.527 0.000 1.181 653 Y CB -0.682 37.572 38.460 -0.343 0.000 0.989 653 Y HN 0.241 nan 8.280 nan 0.000 0.527 654 L N 0.214 121.433 121.223 -0.008 0.000 2.083 654 L HA -0.175 3.845 4.340 -0.533 0.000 0.209 654 L C 2.294 179.175 176.870 0.019 0.000 1.083 654 L CA 1.624 56.505 54.840 0.068 0.000 0.752 654 L CB -0.338 41.767 42.059 0.077 0.000 0.899 654 L HN 0.028 nan 8.230 nan 0.000 0.433 655 R N -0.529 119.938 120.500 -0.055 0.000 2.075 655 R HA -0.057 3.963 4.340 -0.533 0.000 0.232 655 R C 2.277 178.573 176.300 -0.005 0.000 1.126 655 R CA 1.762 57.849 56.100 -0.023 0.000 0.963 655 R CB -0.470 29.816 30.300 -0.023 0.000 0.858 655 R HN 0.404 nan 8.270 nan 0.000 0.435 656 I N 0.114 120.607 120.570 -0.129 0.000 2.353 656 I HA -0.213 3.637 4.170 -0.533 0.000 0.248 656 I C 1.795 177.908 176.117 -0.006 0.000 1.119 656 I CA 0.991 62.203 61.300 -0.145 0.000 1.417 656 I CB -0.181 37.578 38.000 -0.402 0.000 1.078 656 I HN 0.007 nan 8.210 nan 0.000 0.421 657 F N 1.163 121.063 119.950 -0.084 0.000 2.234 657 F HA -0.095 4.112 4.527 -0.533 0.000 0.299 657 F C 2.475 178.263 175.800 -0.019 0.000 1.087 657 F CA 1.220 59.181 58.000 -0.066 0.000 1.340 657 F CB -0.716 38.243 39.000 -0.068 0.000 1.031 657 F HN -0.033 nan 8.300 nan 0.000 0.500 658 R N -0.249 120.369 120.500 0.197 0.000 2.297 658 R HA 0.032 4.052 4.340 -0.533 0.000 0.197 658 R C 0.309 176.664 176.300 0.092 0.000 0.943 658 R CA 0.282 56.455 56.100 0.122 0.000 1.038 658 R CB -0.120 30.238 30.300 0.095 0.000 0.957 658 R HN 0.228 nan 8.270 nan 0.000 0.484 659 N N 0.956 119.713 118.700 0.095 0.000 2.901 659 N HA -0.151 4.269 4.740 -0.533 0.000 0.248 659 N C -0.975 174.584 175.510 0.082 0.000 1.044 659 N CA 0.911 54.013 53.050 0.086 0.000 0.847 659 N CB -0.629 37.903 38.487 0.075 0.000 1.127 659 N HN 0.435 nan 8.380 nan 0.000 0.562 660 E N 0.675 120.926 120.200 0.084 0.000 2.345 660 E HA 0.376 4.406 4.350 -0.533 0.000 0.259 660 E C -2.310 174.360 176.600 0.116 0.000 1.117 660 E CA -1.420 55.025 56.400 0.076 0.000 0.913 660 E CB 0.494 30.227 29.700 0.055 0.000 1.057 660 E HN 0.036 nan 8.360 nan 0.000 0.432 661 P HA 0.013 nan 4.420 nan 0.000 0.275 661 P C -0.840 176.510 177.300 0.084 0.000 1.228 661 P CA 0.286 63.386 63.100 0.001 0.000 0.786 661 P CB 0.235 31.913 31.700 -0.037 0.000 0.927 662 Y N -0.784 119.551 120.300 0.058 0.000 2.435 662 Y HA 0.295 4.525 4.550 -0.533 0.000 0.270 662 Y C 1.784 177.789 175.900 0.174 0.000 1.093 662 Y CA -0.140 58.033 58.100 0.122 0.000 1.226 662 Y CB -0.716 37.802 38.460 0.097 0.000 1.289 662 Y HN 0.111 nan 8.280 nan 0.000 0.529 663 Q N 1.227 120.782 119.800 -0.408 0.000 2.096 663 Q HA -0.275 3.745 4.340 -0.533 0.000 0.208 663 Q C 1.846 177.852 176.000 0.010 0.000 0.993 663 Q CA 2.504 58.206 55.803 -0.169 0.000 0.862 663 Q CB -0.112 28.448 28.738 -0.296 0.000 0.915 663 Q HN 0.501 nan 8.270 nan 0.000 0.416 664 E N -0.294 119.913 120.200 0.010 0.000 2.204 664 E HA -0.191 3.839 4.350 -0.533 0.000 0.194 664 E C 1.529 178.187 176.600 0.097 0.000 0.989 664 E CA 0.866 57.286 56.400 0.033 0.000 0.824 664 E CB -0.238 29.475 29.700 0.022 0.000 0.756 664 E HN 0.482 nan 8.360 nan 0.000 0.477 665 Y N -0.442 119.901 120.300 0.072 0.000 2.293 665 Y HA -0.107 4.123 4.550 -0.533 0.000 0.291 665 Y C 1.723 177.727 175.900 0.172 0.000 1.137 665 Y CA 1.330 59.501 58.100 0.118 0.000 1.202 665 Y CB -0.098 38.455 38.460 0.155 0.000 0.990 665 Y HN -0.041 nan 8.280 nan 0.000 0.537 666 V N 0.846 120.802 119.914 0.071 0.000 2.407 666 V HA -0.201 3.599 4.120 -0.533 0.000 0.245 666 V C 2.288 178.322 176.094 -0.100 0.000 1.041 666 V CA 1.967 64.301 62.300 0.056 0.000 1.040 666 V CB -0.508 31.516 31.823 0.335 0.000 0.671 666 V HN 0.303 nan 8.190 nan 0.000 0.455 667 R N 0.063 120.520 120.500 -0.073 0.000 2.120 667 R HA -0.195 3.825 4.340 -0.533 0.000 0.234 667 R C 2.271 178.493 176.300 -0.131 0.000 1.123 667 R CA 1.544 57.578 56.100 -0.110 0.000 0.975 667 R CB -0.216 30.037 30.300 -0.079 0.000 0.866 667 R HN 0.438 nan 8.270 nan 0.000 0.446 668 E N 0.013 120.133 120.200 -0.133 0.000 2.072 668 E HA -0.083 3.947 4.350 -0.533 0.000 0.190 668 E C 1.735 178.212 176.600 -0.204 0.000 0.982 668 E CA 1.509 57.827 56.400 -0.136 0.000 0.803 668 E CB 0.001 29.646 29.700 -0.091 0.000 0.755 668 E HN 0.140 nan 8.360 nan 0.000 0.453 669 T N 0.598 114.956 114.554 -0.326 0.000 2.746 669 T HA -0.094 3.936 4.350 -0.533 0.000 0.267 669 T C 1.896 176.407 174.700 -0.315 0.000 1.039 669 T CA 1.317 63.183 62.100 -0.390 0.000 1.142 669 T CB -0.233 68.248 68.868 -0.644 0.000 0.866 669 T HN 0.132 nan 8.240 nan 0.000 0.444 670 I N 1.178 121.581 120.570 -0.279 0.000 2.179 670 I HA -0.169 3.681 4.170 -0.533 0.000 0.242 670 I C 2.550 178.569 176.117 -0.163 0.000 1.088 670 I CA 1.326 62.507 61.300 -0.199 0.000 1.357 670 I CB -0.348 37.553 38.000 -0.164 0.000 1.051 670 I HN 0.158 nan 8.210 nan 0.000 0.409 671 D N 1.086 121.395 120.400 -0.152 0.000 2.144 671 D HA -0.171 4.149 4.640 -0.533 0.000 0.199 671 D C 2.137 178.348 176.300 -0.148 0.000 0.984 671 D CA 1.409 55.332 54.000 -0.130 0.000 0.834 671 D CB 0.099 40.835 40.800 -0.107 0.000 0.955 671 D HN 0.205 nan 8.370 nan 0.000 0.465 672 K N -0.523 119.780 120.400 -0.162 0.000 2.116 672 K HA -0.058 3.942 4.320 -0.533 0.000 0.203 672 K C 1.946 178.408 176.600 -0.230 0.000 1.052 672 K CA 0.367 56.552 56.287 -0.170 0.000 0.952 672 K CB -0.061 32.350 32.500 -0.148 0.000 0.729 672 K HN 0.121 nan 8.250 nan 0.000 0.446 673 L N 0.779 121.857 121.223 -0.241 0.000 2.093 673 L HA -0.070 3.951 4.340 -0.533 0.000 0.208 673 L C 1.632 178.219 176.870 -0.472 0.000 1.085 673 L CA 1.789 56.457 54.840 -0.287 0.000 0.755 673 L CB -0.273 41.670 42.059 -0.194 0.000 0.904 673 L HN 0.112 nan 8.230 nan 0.000 0.435 674 M N -0.686 118.708 119.600 -0.343 0.000 2.561 674 M HA 0.225 4.386 4.480 -0.533 0.000 0.238 674 M C 1.592 177.664 176.300 -0.381 0.000 1.131 674 M CA 0.832 55.925 55.300 -0.346 0.000 1.046 674 M CB -1.146 31.380 32.600 -0.123 0.000 1.532 674 M HN 0.464 nan 8.290 nan 0.000 0.497 675 A N -0.763 121.829 122.820 -0.380 0.000 2.431 675 A HA 0.556 4.556 4.320 -0.533 0.000 0.239 675 A C 1.528 178.949 177.584 -0.271 0.000 1.230 675 A CA 0.524 52.411 52.037 -0.249 0.000 0.928 675 A CB -0.147 18.759 19.000 -0.158 0.000 1.006 675 A HN 0.552 nan 8.150 nan 0.000 0.520 676 G N -0.026 108.471 108.800 -0.504 0.000 2.143 676 G HA2 -0.259 3.381 3.960 -0.533 0.000 0.249 676 G HA3 -0.259 3.381 3.960 -0.533 0.000 0.249 676 G C 0.365 175.176 174.900 -0.147 0.000 0.981 676 G CA 0.555 45.485 45.100 -0.283 0.000 0.665 676 G HN 0.599 nan 8.290 nan 0.000 0.528 677 E N -0.606 119.487 120.200 -0.179 0.000 2.479 677 E HA 0.290 4.320 4.350 -0.533 0.000 0.193 677 E C 1.227 177.764 176.600 -0.105 0.000 1.049 677 E CA 0.137 56.469 56.400 -0.114 0.000 0.870 677 E CB 0.235 29.872 29.700 -0.105 0.000 0.944 677 E HN 0.549 nan 8.360 nan 0.000 0.492 678 L N 1.060 122.202 121.223 -0.135 0.000 3.083 678 L HA 0.218 4.238 4.340 -0.533 0.000 0.286 678 L C 0.209 177.008 176.870 -0.118 0.000 1.307 678 L CA -0.296 54.470 54.840 -0.123 0.000 0.897 678 L CB 0.577 42.545 42.059 -0.151 0.000 1.306 678 L HN -0.113 nan 8.230 nan 0.000 0.569 679 D N 1.456 121.815 120.400 -0.069 0.000 2.183 679 D HA -0.086 4.234 4.640 -0.533 0.000 0.203 679 D C 2.160 178.411 176.300 -0.082 0.000 0.969 679 D CA 1.226 55.202 54.000 -0.040 0.000 0.842 679 D CB 0.409 41.217 40.800 0.014 0.000 0.957 679 D HN 0.408 nan 8.370 nan 0.000 0.484 680 A N 0.200 122.976 122.820 -0.072 0.000 2.070 680 A HA -0.108 3.892 4.320 -0.533 0.000 0.220 680 A C 2.055 179.584 177.584 -0.092 0.000 1.159 680 A CA 0.914 52.910 52.037 -0.069 0.000 0.656 680 A CB -0.321 18.648 19.000 -0.052 0.000 0.800 680 A HN 0.051 nan 8.150 nan 0.000 0.453 681 R N -0.733 119.695 120.500 -0.121 0.000 2.334 681 R HA 0.297 4.318 4.340 -0.533 0.000 0.220 681 R C 0.233 176.398 176.300 -0.225 0.000 0.917 681 R CA 0.031 56.047 56.100 -0.140 0.000 1.073 681 R CB -0.078 30.145 30.300 -0.127 0.000 1.056 681 R HN 0.495 nan 8.270 nan 0.000 0.506 682 L N 0.529 121.582 121.223 -0.283 0.000 2.872 682 L HA 0.257 4.277 4.340 -0.533 0.000 0.245 682 L C -0.494 176.196 176.870 -0.299 0.000 1.211 682 L CA -0.322 54.242 54.840 -0.461 0.000 1.013 682 L CB 1.064 42.681 42.059 -0.737 0.000 1.326 682 L HN -0.162 nan 8.230 nan 0.000 0.525 683 V N -0.309 119.473 119.914 -0.220 0.000 2.406 683 V HA 0.201 4.001 4.120 -0.533 0.000 0.272 683 V C -0.379 175.576 176.094 -0.232 0.000 1.043 683 V CA -0.483 61.719 62.300 -0.163 0.000 0.915 683 V CB 0.407 32.183 31.823 -0.078 0.000 0.988 683 V HN 0.065 nan 8.190 nan 0.000 0.466 684 Y N 4.924 125.067 120.300 -0.261 0.000 2.313 684 Y HA 0.588 4.818 4.550 -0.533 0.000 0.332 684 Y C 0.822 176.432 175.900 -0.483 0.000 1.071 684 Y CA -0.563 57.263 58.100 -0.456 0.000 1.169 684 Y CB 1.102 38.970 38.460 -0.986 0.000 1.192 684 Y HN 0.643 nan 8.280 nan 0.000 0.487 685 R N 2.605 123.071 120.500 -0.057 0.000 2.561 685 R HA 0.757 4.777 4.340 -0.533 0.000 0.297 685 R C -1.565 174.785 176.300 0.082 0.000 0.969 685 R CA -1.132 54.982 56.100 0.023 0.000 0.879 685 R CB 2.200 32.538 30.300 0.063 0.000 1.178 685 R HN 0.601 nan 8.270 nan 0.000 0.445 686 K N 2.278 122.771 120.400 0.154 0.000 2.508 686 K HA 0.372 4.372 4.320 -0.533 0.000 0.260 686 K C -0.869 175.838 176.600 0.177 0.000 0.949 686 K CA -0.957 55.404 56.287 0.123 0.000 0.834 686 K CB 2.578 35.095 32.500 0.029 0.000 1.365 686 K HN 0.593 nan 8.250 nan 0.000 0.437 687 R N 1.901 122.495 120.500 0.156 0.000 2.641 687 R HA 0.288 4.309 4.340 -0.533 0.000 0.269 687 R C -0.587 175.916 176.300 0.340 0.000 1.074 687 R CA -0.200 56.031 56.100 0.219 0.000 1.133 687 R CB 0.456 30.867 30.300 0.185 0.000 1.029 687 R HN 0.412 nan 8.270 nan 0.000 0.488 688 L N 3.672 125.082 121.223 0.311 0.000 2.295 688 L HA 0.363 4.383 4.340 -0.533 0.000 0.281 688 L C 1.218 178.267 176.870 0.300 0.000 1.018 688 L CA -0.160 54.885 54.840 0.341 0.000 0.841 688 L CB 1.425 43.627 42.059 0.237 0.000 1.218 688 L HN 0.548 nan 8.230 nan 0.000 0.424 689 R N 1.980 122.670 120.500 0.316 0.000 2.240 689 R HA 0.135 4.156 4.340 -0.533 0.000 0.203 689 R C -0.023 176.323 176.300 0.077 0.000 1.011 689 R CA 0.438 56.644 56.100 0.176 0.000 1.007 689 R CB 0.203 30.596 30.300 0.156 0.000 0.911 689 R HN 0.541 nan 8.270 nan 0.000 0.468 690 R N 0.365 120.876 120.500 0.018 0.000 2.854 690 R HA 0.394 4.414 4.340 -0.533 0.000 0.271 690 R C -2.853 173.424 176.300 -0.038 0.000 0.994 690 R CA -2.454 53.565 56.100 -0.134 0.000 0.945 690 R CB 0.654 30.694 30.300 -0.433 0.000 1.194 690 R HN -0.217 nan 8.270 nan 0.000 0.476 691 P HA -0.061 nan 4.420 nan 0.000 0.267 691 P C 0.457 177.803 177.300 0.077 0.000 1.200 691 P CA -0.206 62.914 63.100 0.035 0.000 0.772 691 P CB 0.481 32.175 31.700 -0.010 0.000 0.855 692 L N 3.530 124.855 121.223 0.170 0.000 2.129 692 L HA -0.214 3.806 4.340 -0.533 0.000 0.212 692 L C 2.303 179.290 176.870 0.195 0.000 1.087 692 L CA 2.274 57.264 54.840 0.251 0.000 0.757 692 L CB -1.460 40.687 42.059 0.145 0.000 0.896 692 L HN 0.430 nan 8.230 nan 0.000 0.434 693 S N -0.975 114.775 115.700 0.083 0.000 2.368 693 S HA -0.250 3.900 4.470 -0.533 0.000 0.225 693 S C 1.888 176.504 174.600 0.028 0.000 1.030 693 S CA 1.548 59.774 58.200 0.044 0.000 0.999 693 S CB -0.395 62.810 63.200 0.009 0.000 0.844 693 S HN 0.597 nan 8.310 nan 0.000 0.459 694 E N -0.363 119.817 120.200 -0.032 0.000 2.265 694 E HA -0.038 3.992 4.350 -0.533 0.000 0.196 694 E C -0.371 176.136 176.600 -0.155 0.000 0.996 694 E CA 0.495 56.824 56.400 -0.118 0.000 0.832 694 E CB -0.149 29.440 29.700 -0.186 0.000 0.756 694 E HN 0.671 nan 8.360 nan 0.000 0.491 695 Y N 1.100 121.381 120.300 -0.031 0.000 2.526 695 Y HA -0.062 4.169 4.550 -0.533 0.000 0.330 695 Y C 1.467 177.348 175.900 -0.032 0.000 1.156 695 Y CA 0.259 58.337 58.100 -0.038 0.000 1.419 695 Y CB 0.476 38.895 38.460 -0.070 0.000 1.250 695 Y HN -0.025 nan 8.280 nan 0.000 0.540 696 Q N 2.708 122.567 119.800 0.098 0.000 2.558 696 Q HA 0.046 4.066 4.340 -0.533 0.000 0.186 696 Q C 2.278 178.305 176.000 0.044 0.000 0.894 696 Q CA 0.063 55.897 55.803 0.051 0.000 0.830 696 Q CB -0.241 28.508 28.738 0.019 0.000 1.107 696 Q HN 0.656 nan 8.270 nan 0.000 0.620 697 R N 1.260 121.783 120.500 0.037 0.000 2.070 697 R HA -0.016 4.004 4.340 -0.533 0.000 0.233 697 R C 0.569 176.886 176.300 0.028 0.000 1.137 697 R CA 0.815 56.931 56.100 0.027 0.000 0.945 697 R CB -1.557 28.758 30.300 0.025 0.000 0.845 697 R HN 0.119 nan 8.270 nan 0.000 0.430 698 N N 0.762 119.490 118.700 0.047 0.000 2.441 698 N HA 0.075 4.495 4.740 -0.533 0.000 0.251 698 N C -0.870 174.639 175.510 -0.002 0.000 1.242 698 N CA 0.134 53.207 53.050 0.037 0.000 0.898 698 N CB 1.031 39.562 38.487 0.074 0.000 1.100 698 N HN 0.094 nan 8.380 nan 0.000 0.443 699 V N 2.554 122.443 119.914 -0.041 0.000 2.462 699 V HA 0.307 4.107 4.120 -0.533 0.000 0.257 699 V C -2.233 173.784 176.094 -0.130 0.000 0.944 699 V CA -1.453 60.781 62.300 -0.109 0.000 0.903 699 V CB 0.575 32.339 31.823 -0.098 0.000 1.128 699 V HN 0.567 nan 8.190 nan 0.000 0.486 700 P HA 0.171 nan 4.420 nan 0.000 0.268 700 P C -1.708 175.488 177.300 -0.173 0.000 1.208 700 P CA -1.088 61.960 63.100 -0.086 0.000 0.777 700 P CB 0.443 32.109 31.700 -0.057 0.000 0.875 701 P HA -0.209 nan 4.420 nan 0.000 0.216 701 P C 1.258 178.177 177.300 -0.635 0.000 1.150 701 P CA 1.914 64.800 63.100 -0.357 0.000 0.843 701 P CB -0.453 31.136 31.700 -0.185 0.000 0.787 702 H N -1.862 116.827 119.070 -0.635 0.000 2.395 702 H HA 0.047 4.283 4.556 -0.533 0.000 0.299 702 H C 1.707 176.750 175.328 -0.475 0.000 1.070 702 H CA 0.304 55.997 56.048 -0.591 0.000 1.356 702 H CB -1.102 28.557 29.762 -0.172 0.000 1.401 702 H HN -0.147 nan 8.280 nan 0.000 0.524 703 V N 1.263 120.654 119.914 -0.871 0.000 2.427 703 V HA -0.204 3.597 4.120 -0.533 0.000 0.248 703 V C 2.754 178.556 176.094 -0.487 0.000 1.051 703 V CA 1.907 63.729 62.300 -0.798 0.000 1.048 703 V CB -0.595 30.607 31.823 -1.036 0.000 0.666 703 V HN 0.433 nan 8.190 nan 0.000 0.456 704 R N 0.519 120.757 120.500 -0.436 0.000 2.096 704 R HA -0.143 3.877 4.340 -0.533 0.000 0.235 704 R C 2.231 178.332 176.300 -0.331 0.000 1.127 704 R CA 1.718 57.614 56.100 -0.339 0.000 0.968 704 R CB -0.345 29.752 30.300 -0.339 0.000 0.861 704 R HN 0.486 nan 8.270 nan 0.000 0.440 705 A N 0.623 123.196 122.820 -0.413 0.000 1.897 705 A HA 0.006 4.006 4.320 -0.533 0.000 0.215 705 A C 2.325 179.758 177.584 -0.251 0.000 1.181 705 A CA 1.373 53.208 52.037 -0.336 0.000 0.620 705 A CB -0.551 18.200 19.000 -0.416 0.000 0.821 705 A HN 0.488 nan 8.150 nan 0.000 0.443 706 A N -0.130 122.490 122.820 -0.333 0.000 1.933 706 A HA -0.146 3.855 4.320 -0.533 0.000 0.218 706 A C 2.241 179.773 177.584 -0.088 0.000 1.175 706 A CA 1.502 53.327 52.037 -0.353 0.000 0.628 706 A CB -0.421 18.318 19.000 -0.436 0.000 0.814 706 A HN 0.541 nan 8.150 nan 0.000 0.444 707 R N -0.698 119.727 120.500 -0.125 0.000 2.075 707 R HA 0.024 4.044 4.340 -0.533 0.000 0.232 707 R C 2.045 178.305 176.300 -0.066 0.000 1.126 707 R CA 1.309 57.365 56.100 -0.073 0.000 0.963 707 R CB -0.465 29.769 30.300 -0.110 0.000 0.858 707 R HN 0.489 nan 8.270 nan 0.000 0.435 708 L N 0.174 121.339 121.223 -0.097 0.000 2.083 708 L HA -0.181 3.839 4.340 -0.533 0.000 0.209 708 L C 2.652 179.470 176.870 -0.087 0.000 1.083 708 L CA 1.208 55.991 54.840 -0.096 0.000 0.752 708 L CB -0.546 41.453 42.059 -0.101 0.000 0.899 708 L HN 0.272 nan 8.230 nan 0.000 0.433 709 A N -0.285 122.533 122.820 -0.003 0.000 1.877 709 A HA -0.246 3.754 4.320 -0.533 0.000 0.216 709 A C 1.940 179.565 177.584 0.068 0.000 1.186 709 A CA 2.095 54.205 52.037 0.122 0.000 0.620 709 A CB -0.520 18.685 19.000 0.342 0.000 0.822 709 A HN 0.329 nan 8.150 nan 0.000 0.443 710 D N -0.804 119.667 120.400 0.117 0.000 2.269 710 D HA -0.035 4.285 4.640 -0.533 0.000 0.208 710 D C 1.899 178.171 176.300 -0.048 0.000 0.963 710 D CA 0.770 54.800 54.000 0.050 0.000 0.864 710 D CB -0.184 40.668 40.800 0.086 0.000 0.936 710 D HN 0.634 nan 8.370 nan 0.000 0.505 711 E N 0.451 120.603 120.200 -0.080 0.000 2.047 711 E HA -0.134 3.896 4.350 -0.533 0.000 0.191 711 E C 1.826 178.325 176.600 -0.168 0.000 0.987 711 E CA 0.696 57.034 56.400 -0.104 0.000 0.799 711 E CB 0.184 29.822 29.700 -0.102 0.000 0.752 711 E HN 0.237 nan 8.360 nan 0.000 0.449 712 E N 0.482 120.492 120.200 -0.317 0.000 2.153 712 E HA -0.161 3.869 4.350 -0.533 0.000 0.194 712 E C 1.615 177.999 176.600 -0.359 0.000 0.988 712 E CA 0.874 56.959 56.400 -0.525 0.000 0.811 712 E CB -0.289 28.592 29.700 -1.365 0.000 0.746 712 E HN 0.331 nan 8.360 nan 0.000 0.466 713 N N 0.932 119.496 118.700 -0.228 0.000 2.216 713 N HA -0.189 4.231 4.740 -0.533 0.000 0.183 713 N C 1.937 177.414 175.510 -0.055 0.000 1.017 713 N CA 1.184 54.197 53.050 -0.061 0.000 0.861 713 N CB -0.061 38.413 38.487 -0.020 0.000 0.986 713 N HN 0.155 nan 8.380 nan 0.000 0.428 714 Q N 1.498 121.263 119.800 -0.059 0.000 2.224 714 Q HA -0.035 3.985 4.340 -0.533 0.000 0.203 714 Q C 1.352 177.333 176.000 -0.031 0.000 0.970 714 Q CA 1.377 57.158 55.803 -0.037 0.000 0.865 714 Q CB 0.003 28.721 28.738 -0.033 0.000 0.922 714 Q HN 0.136 nan 8.270 nan 0.000 0.445 715 K N 0.005 120.378 120.400 -0.045 0.000 2.288 715 K HA -0.003 3.997 4.320 -0.533 0.000 0.201 715 K C 1.628 178.226 176.600 -0.003 0.000 1.048 715 K CA 0.996 57.265 56.287 -0.029 0.000 0.956 715 K CB 0.140 32.612 32.500 -0.047 0.000 0.746 715 K HN 0.182 nan 8.250 nan 0.000 0.461 716 R N -0.999 119.502 120.500 0.002 0.000 2.362 716 R HA 0.062 4.082 4.340 -0.533 0.000 0.227 716 R C 0.862 177.158 176.300 -0.007 0.000 0.905 716 R CA 0.514 56.629 56.100 0.024 0.000 1.067 716 R CB 0.892 31.231 30.300 0.064 0.000 1.078 716 R HN 0.318 nan 8.270 nan 0.000 0.516 717 G N 1.189 109.979 108.800 -0.015 0.000 2.159 717 G HA2 -0.342 3.298 3.960 -0.533 0.000 0.256 717 G HA3 -0.342 3.298 3.960 -0.533 0.000 0.256 717 G C 0.034 174.900 174.900 -0.056 0.000 0.977 717 G CA 0.017 45.106 45.100 -0.018 0.000 0.652 717 G HN 0.250 nan 8.290 nan 0.000 0.531 718 R N 0.632 121.086 120.500 -0.076 0.000 2.582 718 R HA 0.418 4.438 4.340 -0.533 0.000 0.271 718 R C -2.387 173.846 176.300 -0.112 0.000 1.078 718 R CA -1.573 54.451 56.100 -0.126 0.000 1.127 718 R CB 0.353 30.556 30.300 -0.162 0.000 1.038 718 R HN 0.083 nan 8.270 nan 0.000 0.500 719 P HA 0.005 nan 4.420 nan 0.000 0.271 719 P C -0.810 176.421 177.300 -0.114 0.000 1.216 719 P CA -0.229 62.797 63.100 -0.124 0.000 0.771 719 P CB 0.461 32.079 31.700 -0.138 0.000 0.864 720 L N 3.647 124.816 121.223 -0.091 0.000 2.410 720 L HA 0.067 4.087 4.340 -0.533 0.000 0.273 720 L C 1.554 178.324 176.870 -0.167 0.000 1.152 720 L CA 0.951 55.729 54.840 -0.103 0.000 0.855 720 L CB -0.050 41.978 42.059 -0.052 0.000 1.129 720 L HN 0.446 nan 8.230 nan 0.000 0.463 721 Q N 2.546 122.146 119.800 -0.334 0.000 2.396 721 Q HA 0.050 4.070 4.340 -0.533 0.000 0.220 721 Q C 0.058 175.704 176.000 -0.589 0.000 0.900 721 Q CA 0.765 56.230 55.803 -0.563 0.000 0.925 721 Q CB 0.396 28.546 28.738 -0.980 0.000 1.065 721 Q HN 0.631 nan 8.270 nan 0.000 0.535 722 Y N 0.201 120.530 120.300 0.049 0.000 2.636 722 Y HA 0.196 4.426 4.550 -0.533 0.000 0.260 722 Y C 1.658 177.589 175.900 0.052 0.000 1.177 722 Y CA -0.327 57.806 58.100 0.054 0.000 1.209 722 Y CB 0.508 38.993 38.460 0.042 0.000 1.166 722 Y HN -0.003 nan 8.280 nan 0.000 0.531 723 Q N 0.296 120.168 119.800 0.120 0.000 2.119 723 Q HA -0.086 3.934 4.340 -0.533 0.000 0.201 723 Q C 0.330 176.388 176.000 0.097 0.000 0.972 723 Q CA 1.095 56.955 55.803 0.095 0.000 0.847 723 Q CB 0.007 28.773 28.738 0.048 0.000 0.903 723 Q HN 0.270 nan 8.270 nan 0.000 0.433 724 N N 0.188 118.946 118.700 0.097 0.000 2.757 724 N HA 0.189 4.609 4.740 -0.533 0.000 0.296 724 N C -1.243 174.334 175.510 0.112 0.000 1.874 724 N CA -0.074 53.029 53.050 0.089 0.000 0.885 724 N CB 0.209 38.741 38.487 0.076 0.000 1.242 724 N HN 0.119 nan 8.380 nan 0.000 0.488 725 R N -1.430 119.160 120.500 0.150 0.000 4.032 725 R HA 0.084 4.104 4.340 -0.533 0.000 0.424 725 R C 0.087 176.515 176.300 0.212 0.000 0.241 725 R CA 0.509 56.714 56.100 0.175 0.000 1.347 725 R CB -1.308 29.070 30.300 0.131 0.000 1.148 725 R HN 0.544 nan 8.270 nan 0.000 0.489 726 G N -0.837 108.099 108.800 0.225 0.000 2.302 726 G HA2 0.259 3.900 3.960 -0.533 0.000 0.276 726 G HA3 0.259 3.900 3.960 -0.533 0.000 0.276 726 G C -1.528 173.532 174.900 0.267 0.000 1.316 726 G CA -0.345 44.910 45.100 0.258 0.000 0.988 726 G HN 0.668 nan 8.290 nan 0.000 0.479 727 T N 0.235 114.962 114.554 0.290 0.000 2.848 727 T HA 0.612 4.642 4.350 -0.533 0.000 0.285 727 T C -0.788 174.047 174.700 0.224 0.000 0.995 727 T CA -0.164 62.079 62.100 0.239 0.000 0.970 727 T CB 1.859 70.858 68.868 0.218 0.000 0.976 727 T HN 0.946 nan 8.240 nan 0.000 0.441 728 I N 2.526 123.171 120.570 0.125 0.000 2.441 728 I HA 0.488 4.338 4.170 -0.533 0.000 0.295 728 I C -0.741 175.478 176.117 0.170 0.000 0.994 728 I CA -0.569 60.731 61.300 -0.001 0.000 1.144 728 I CB 1.021 38.892 38.000 -0.215 0.000 1.314 728 I HN 0.405 nan 8.210 nan 0.000 0.445 729 K N 7.522 128.020 120.400 0.163 0.000 2.235 729 K HA 0.492 4.492 4.320 -0.533 0.000 0.266 729 K C -1.610 175.116 176.600 0.209 0.000 0.980 729 K CA -0.521 55.849 56.287 0.138 0.000 0.849 729 K CB 1.524 34.090 32.500 0.110 0.000 1.098 729 K HN 0.618 nan 8.250 nan 0.000 0.445 730 Y N -1.145 119.224 120.300 0.116 0.000 2.644 730 Y HA 0.685 4.915 4.550 -0.533 0.000 0.338 730 Y C -0.684 175.344 175.900 0.215 0.000 1.119 730 Y CA -1.401 56.755 58.100 0.094 0.000 1.060 730 Y CB 0.725 39.184 38.460 -0.003 0.000 1.294 730 Y HN 0.244 nan 8.280 nan 0.000 0.472 731 V N -3.024 117.090 119.914 0.333 0.000 3.164 731 V HA 0.575 4.375 4.120 -0.533 0.000 0.313 731 V C -1.465 174.882 176.094 0.420 0.000 1.188 731 V CA -1.060 61.470 62.300 0.383 0.000 1.058 731 V CB 2.502 34.464 31.823 0.231 0.000 1.110 731 V HN 0.979 nan 8.190 nan 0.000 0.453 732 W N 2.101 123.559 121.300 0.264 0.000 2.471 732 W HA 0.691 5.031 4.660 -0.533 0.000 0.318 732 W C -0.207 176.269 176.519 -0.072 0.000 1.034 732 W CA 0.279 57.576 57.345 -0.080 0.000 1.224 732 W CB 1.898 30.986 29.460 -0.620 0.000 1.335 732 W HN 1.066 nan 8.180 nan 0.000 0.452 733 T N -0.032 114.466 114.554 -0.094 0.000 2.938 733 T HA 0.244 4.275 4.350 -0.533 0.000 0.285 733 T C 1.242 175.935 174.700 -0.012 0.000 1.028 733 T CA 0.030 62.109 62.100 -0.035 0.000 1.005 733 T CB 1.597 70.416 68.868 -0.081 0.000 1.157 733 T HN 0.373 nan 8.240 nan 0.000 0.550 734 T N -1.528 113.018 114.554 -0.014 0.000 3.155 734 T HA 0.031 4.061 4.350 -0.533 0.000 0.264 734 T C 0.864 175.559 174.700 -0.009 0.000 1.160 734 T CA 0.866 62.973 62.100 0.011 0.000 1.075 734 T CB -0.824 68.045 68.868 0.001 0.000 0.921 734 T HN 0.688 nan 8.240 nan 0.000 0.533 735 N N 0.525 119.187 118.700 -0.063 0.000 2.235 735 N HA 0.499 4.919 4.740 -0.533 0.000 0.231 735 N C 0.501 175.914 175.510 -0.162 0.000 1.177 735 N CA 0.089 53.089 53.050 -0.083 0.000 0.874 735 N CB 1.050 39.489 38.487 -0.080 0.000 1.097 735 N HN 0.631 nan 8.380 nan 0.000 0.518 736 G N 1.267 109.917 108.800 -0.250 0.000 2.566 736 G HA2 -0.155 3.485 3.960 -0.533 0.000 0.599 736 G HA3 -0.155 3.485 3.960 -0.533 0.000 0.599 736 G C -3.034 171.295 174.900 -0.952 0.000 1.292 736 G CA -1.193 43.576 45.100 -0.550 0.000 0.922 736 G HN -0.066 nan 8.290 nan 0.000 0.514 737 P HA 0.311 nan 4.420 nan 0.000 0.271 737 P C -0.476 176.523 177.300 -0.502 0.000 1.226 737 P CA 0.675 63.151 63.100 -1.040 0.000 0.765 737 P CB 1.041 31.990 31.700 -1.252 0.000 0.835 738 E N 4.401 124.447 120.200 -0.257 0.000 2.288 738 E HA 0.395 4.425 4.350 -0.533 0.000 0.268 738 E C -2.319 174.288 176.600 0.012 0.000 0.885 738 E CA -2.653 53.676 56.400 -0.118 0.000 0.767 738 E CB 2.092 31.748 29.700 -0.073 0.000 1.220 738 E HN 0.399 nan 8.360 nan 0.000 0.427 739 P HA -0.024 nan 4.420 nan 0.000 0.271 739 P C 0.508 177.898 177.300 0.150 0.000 1.218 739 P CA -0.182 62.999 63.100 0.135 0.000 0.780 739 P CB 1.111 32.916 31.700 0.176 0.000 0.901 740 L N 2.715 124.026 121.223 0.147 0.000 2.012 740 L HA -0.186 3.834 4.340 -0.533 0.000 0.210 740 L C 1.859 178.757 176.870 0.048 0.000 1.073 740 L CA 2.125 57.020 54.840 0.092 0.000 0.748 740 L CB -1.098 41.008 42.059 0.078 0.000 0.891 740 L HN 0.278 nan 8.230 nan 0.000 0.431 741 D N -1.376 119.064 120.400 0.066 0.000 2.123 741 D HA -0.212 4.108 4.640 -0.533 0.000 0.196 741 D C 1.093 177.250 176.300 -0.239 0.000 0.992 741 D CA 1.652 55.601 54.000 -0.085 0.000 0.833 741 D CB -0.146 40.650 40.800 -0.007 0.000 0.954 741 D HN 0.443 nan 8.370 nan 0.000 0.455 742 Y N 0.440 120.804 120.300 0.105 0.000 2.720 742 Y HA 0.177 4.407 4.550 -0.533 0.000 0.277 742 Y C 0.804 176.722 175.900 0.030 0.000 1.144 742 Y CA -0.546 57.600 58.100 0.077 0.000 1.221 742 Y CB -0.057 38.466 38.460 0.105 0.000 1.163 742 Y HN -0.142 nan 8.280 nan 0.000 0.537 743 Q N 2.521 122.390 119.800 0.115 0.000 2.364 743 Q HA 0.061 4.081 4.340 -0.533 0.000 0.267 743 Q C 0.818 176.844 176.000 0.044 0.000 0.999 743 Q CA 0.267 56.108 55.803 0.065 0.000 0.886 743 Q CB 0.788 29.548 28.738 0.037 0.000 1.243 743 Q HN 0.696 nan 8.270 nan 0.000 0.415 744 R N 0.921 121.437 120.500 0.028 0.000 2.568 744 R HA 0.325 4.345 4.340 -0.533 0.000 0.254 744 R C -0.046 176.252 176.300 -0.002 0.000 0.925 744 R CA -0.367 55.744 56.100 0.017 0.000 1.025 744 R CB 0.526 30.840 30.300 0.024 0.000 1.428 744 R HN 0.304 nan 8.270 nan 0.000 0.573 745 S N 2.391 118.083 115.700 -0.014 0.000 2.651 745 S HA 0.491 4.642 4.470 -0.533 0.000 0.291 745 S C -2.565 172.018 174.600 -0.028 0.000 1.141 745 S CA -1.464 56.720 58.200 -0.026 0.000 1.027 745 S CB 1.767 64.941 63.200 -0.045 0.000 1.043 745 S HN 0.013 nan 8.310 nan 0.000 0.530 746 P HA 0.101 nan 4.420 nan 0.000 0.268 746 P C -0.788 176.461 177.300 -0.086 0.000 1.204 746 P CA -0.439 62.630 63.100 -0.053 0.000 0.768 746 P CB 0.183 31.856 31.700 -0.045 0.000 0.842 747 L N 3.280 124.413 121.223 -0.149 0.000 2.453 747 L HA 0.074 4.095 4.340 -0.533 0.000 0.272 747 L C 0.963 177.632 176.870 -0.335 0.000 1.182 747 L CA 0.691 55.424 54.840 -0.178 0.000 0.858 747 L CB -0.792 41.099 42.059 -0.280 0.000 1.120 747 L HN 0.386 nan 8.230 nan 0.000 0.474 748 D N 2.080 122.438 120.400 -0.070 0.000 2.411 748 D HA 0.079 4.399 4.640 -0.533 0.000 0.225 748 D C 0.638 176.998 176.300 0.099 0.000 1.156 748 D CA -0.213 53.778 54.000 -0.016 0.000 0.874 748 D CB 0.470 41.337 40.800 0.112 0.000 1.034 748 D HN 0.276 nan 8.370 nan 0.000 0.502 749 Y N 1.920 122.381 120.300 0.267 0.000 2.263 749 Y HA -0.063 4.167 4.550 -0.533 0.000 0.292 749 Y C 2.169 178.198 175.900 0.215 0.000 1.130 749 Y CA 0.699 58.972 58.100 0.289 0.000 1.179 749 Y CB -0.277 38.273 38.460 0.149 0.000 0.998 749 Y HN 0.422 nan 8.280 nan 0.000 0.532 750 E N -0.555 119.806 120.200 0.269 0.000 2.153 750 E HA -0.225 3.805 4.350 -0.533 0.000 0.194 750 E C 2.230 178.868 176.600 0.064 0.000 0.988 750 E CA 1.336 57.825 56.400 0.148 0.000 0.811 750 E CB -0.435 29.326 29.700 0.103 0.000 0.746 750 E HN 0.515 nan 8.360 nan 0.000 0.466 751 H N -1.000 118.021 119.070 -0.083 0.000 2.423 751 H HA -0.132 4.104 4.556 -0.533 0.000 0.297 751 H C 1.060 176.199 175.328 -0.315 0.000 1.075 751 H CA 1.468 57.333 56.048 -0.306 0.000 1.342 751 H CB -0.043 29.403 29.762 -0.526 0.000 1.395 751 H HN 0.299 nan 8.280 nan 0.000 0.530 752 Y N -0.041 120.328 120.300 0.115 0.000 2.337 752 Y HA -0.081 4.149 4.550 -0.533 0.000 0.293 752 Y C 2.548 178.443 175.900 -0.008 0.000 1.123 752 Y CA 0.686 58.827 58.100 0.069 0.000 1.201 752 Y CB -0.226 38.331 38.460 0.162 0.000 1.011 752 Y HN 0.173 nan 8.280 nan 0.000 0.545 753 L N -0.706 120.607 121.223 0.149 0.000 2.044 753 L HA -0.118 3.903 4.340 -0.533 0.000 0.205 753 L C 2.086 178.970 176.870 0.024 0.000 1.075 753 L CA 2.116 57.017 54.840 0.101 0.000 0.747 753 L CB -0.984 41.150 42.059 0.124 0.000 0.903 753 L HN 0.092 nan 8.230 nan 0.000 0.435 754 T N -0.021 114.506 114.554 -0.045 0.000 2.770 754 T HA -0.034 3.997 4.350 -0.533 0.000 0.263 754 T C 1.736 176.318 174.700 -0.196 0.000 1.039 754 T CA 1.236 63.266 62.100 -0.117 0.000 1.142 754 T CB -0.072 68.714 68.868 -0.136 0.000 0.868 754 T HN 0.266 nan 8.240 nan 0.000 0.435 755 R N 0.282 120.595 120.500 -0.312 0.000 2.308 755 R HA 0.328 4.349 4.340 -0.533 0.000 0.202 755 R C 1.835 178.038 176.300 -0.162 0.000 0.898 755 R CA 0.269 56.169 56.100 -0.333 0.000 1.046 755 R CB 0.012 29.906 30.300 -0.676 0.000 1.026 755 R HN 0.317 nan 8.270 nan 0.000 0.512 756 Q N 0.236 120.005 119.800 -0.052 0.000 2.514 756 Q HA 0.268 4.288 4.340 -0.533 0.000 0.208 756 Q C 2.261 178.381 176.000 0.200 0.000 0.938 756 Q CA 0.573 56.466 55.803 0.151 0.000 0.892 756 Q CB 0.151 29.003 28.738 0.189 0.000 1.050 756 Q HN 0.166 nan 8.270 nan 0.000 0.595 757 L N 0.981 122.248 121.223 0.073 0.000 2.068 757 L HA -0.100 3.920 4.340 -0.533 0.000 0.204 757 L C 2.659 179.469 176.870 -0.100 0.000 1.076 757 L CA 1.222 56.082 54.840 0.033 0.000 0.753 757 L CB -0.415 41.585 42.059 -0.098 0.000 0.910 757 L HN 0.322 nan 8.230 nan 0.000 0.439 758 Q N 0.673 120.244 119.800 -0.383 0.000 2.084 758 Q HA -0.180 3.840 4.340 -0.533 0.000 0.202 758 Q C -0.629 175.082 176.000 -0.482 0.000 0.978 758 Q CA 1.748 56.996 55.803 -0.926 0.000 0.844 758 Q CB -0.696 27.640 28.738 -0.669 0.000 0.898 758 Q HN 0.278 nan 8.270 nan 0.000 0.426 759 P HA -0.130 nan 4.420 nan 0.000 0.217 759 P C 1.333 178.587 177.300 -0.076 0.000 1.150 759 P CA 1.168 64.230 63.100 -0.063 0.000 0.832 759 P CB 0.016 31.789 31.700 0.122 0.000 0.787 760 V N 0.057 119.952 119.914 -0.031 0.000 2.358 760 V HA -0.202 3.598 4.120 -0.533 0.000 0.246 760 V C 2.446 178.500 176.094 -0.067 0.000 1.047 760 V CA 2.178 64.437 62.300 -0.068 0.000 1.035 760 V CB -1.703 30.132 31.823 0.020 0.000 0.658 760 V HN 0.091 nan 8.190 nan 0.000 0.452 761 A N -0.401 122.400 122.820 -0.031 0.000 1.930 761 A HA -0.207 3.793 4.320 -0.533 0.000 0.217 761 A C 2.119 179.669 177.584 -0.057 0.000 1.175 761 A CA 1.606 53.640 52.037 -0.005 0.000 0.627 761 A CB -0.452 18.692 19.000 0.241 0.000 0.815 761 A HN 0.592 nan 8.150 nan 0.000 0.443 762 E N -0.599 119.534 120.200 -0.112 0.000 2.409 762 E HA -0.066 3.964 4.350 -0.533 0.000 0.198 762 E C 1.860 178.376 176.600 -0.140 0.000 1.024 762 E CA 0.448 56.776 56.400 -0.120 0.000 0.861 762 E CB -0.216 29.408 29.700 -0.127 0.000 0.788 762 E HN 0.638 nan 8.360 nan 0.000 0.521 763 G N 0.557 109.302 108.800 -0.092 0.000 2.484 763 G HA2 -0.138 3.503 3.960 -0.533 0.000 0.218 763 G HA3 -0.138 3.503 3.960 -0.533 0.000 0.218 763 G C 1.468 176.337 174.900 -0.051 0.000 1.130 763 G CA 0.292 45.366 45.100 -0.044 0.000 0.784 763 G HN 0.271 nan 8.290 nan 0.000 0.543 764 I N -1.355 119.131 120.570 -0.140 0.000 4.530 764 I HA 0.316 4.166 4.170 -0.533 0.000 0.318 764 I C 1.961 177.925 176.117 -0.254 0.000 1.257 764 I CA -0.044 61.136 61.300 -0.201 0.000 1.301 764 I CB 0.290 38.016 38.000 -0.455 0.000 1.297 764 I HN -0.051 nan 8.210 nan 0.000 0.451 765 L N 1.975 123.055 121.223 -0.239 0.000 2.191 765 L HA -0.075 3.946 4.340 -0.533 0.000 0.212 765 L C -0.709 176.048 176.870 -0.188 0.000 1.103 765 L CA 1.223 55.954 54.840 -0.182 0.000 0.769 765 L CB -1.856 40.174 42.059 -0.049 0.000 0.908 765 L HN 0.239 nan 8.230 nan 0.000 0.438 766 P HA -0.135 nan 4.420 nan 0.000 0.217 766 P C 1.411 178.478 177.300 -0.388 0.000 1.150 766 P CA 1.393 64.234 63.100 -0.431 0.000 0.832 766 P CB 0.001 31.274 31.700 -0.711 0.000 0.787 767 F N -0.651 119.234 119.950 -0.109 0.000 2.502 767 F HA 0.038 4.245 4.527 -0.533 0.000 0.298 767 F C 1.854 177.593 175.800 -0.101 0.000 1.111 767 F CA 0.627 58.552 58.000 -0.125 0.000 1.445 767 F CB -1.024 37.871 39.000 -0.174 0.000 1.081 767 F HN -0.046 nan 8.300 nan 0.000 0.558 768 I N -2.477 118.119 120.570 0.043 0.000 3.927 768 I HA 0.320 4.171 4.170 -0.533 0.000 0.332 768 I C 0.115 176.263 176.117 0.053 0.000 1.485 768 I CA -0.023 61.306 61.300 0.047 0.000 1.131 768 I CB -0.387 37.633 38.000 0.035 0.000 1.092 768 I HN 0.013 nan 8.210 nan 0.000 0.410 769 E N 1.638 121.849 120.200 0.018 0.000 2.513 769 E HA -0.223 3.807 4.350 -0.533 0.000 0.257 769 E C -0.487 176.133 176.600 0.032 0.000 1.098 769 E CA 0.644 57.053 56.400 0.015 0.000 0.752 769 E CB -0.742 28.974 29.700 0.026 0.000 1.324 769 E HN 0.703 nan 8.360 nan 0.000 0.403 770 D N -0.537 119.885 120.400 0.038 0.000 2.423 770 D HA 0.403 4.723 4.640 -0.533 0.000 0.235 770 D C -0.927 175.402 176.300 0.047 0.000 1.011 770 D CA -0.574 53.472 54.000 0.077 0.000 0.963 770 D CB 1.038 41.956 40.800 0.195 0.000 1.349 770 D HN 0.123 nan 8.370 nan 0.000 0.508 771 N N 1.931 120.669 118.700 0.064 0.000 2.346 771 N HA 0.104 4.525 4.740 -0.533 0.000 0.289 771 N C 0.086 175.666 175.510 0.115 0.000 1.027 771 N CA -0.370 52.721 53.050 0.069 0.000 0.864 771 N CB 1.017 39.527 38.487 0.038 0.000 1.370 771 N HN 0.335 nan 8.380 nan 0.000 0.481 772 F N 4.134 124.096 119.950 0.020 0.000 2.186 772 F HA 0.010 4.217 4.527 -0.533 0.000 0.299 772 F C 2.088 177.907 175.800 0.031 0.000 1.090 772 F CA 1.661 59.688 58.000 0.046 0.000 1.307 772 F CB 0.140 39.169 39.000 0.048 0.000 1.019 772 F HN 0.666 nan 8.300 nan 0.000 0.489 773 A N -0.411 122.517 122.820 0.180 0.000 1.908 773 A HA -0.202 3.798 4.320 -0.533 0.000 0.218 773 A C 2.169 179.728 177.584 -0.041 0.000 1.181 773 A CA 2.323 54.407 52.037 0.078 0.000 0.627 773 A CB -1.459 17.593 19.000 0.087 0.000 0.818 773 A HN 0.407 nan 8.150 nan 0.000 0.445 774 T N 0.223 114.759 114.554 -0.029 0.000 2.962 774 T HA 0.021 4.051 4.350 -0.533 0.000 0.270 774 T C 1.638 176.281 174.700 -0.095 0.000 1.088 774 T CA 1.268 63.340 62.100 -0.046 0.000 1.127 774 T CB -0.280 68.577 68.868 -0.018 0.000 0.883 774 T HN 0.392 nan 8.240 nan 0.000 0.493 775 L N -0.252 120.872 121.223 -0.165 0.000 2.168 775 L HA 0.216 4.236 4.340 -0.533 0.000 0.203 775 L C 1.968 178.610 176.870 -0.382 0.000 1.078 775 L CA 0.793 55.477 54.840 -0.260 0.000 0.780 775 L CB -0.926 40.969 42.059 -0.273 0.000 0.939 775 L HN 0.407 nan 8.230 nan 0.000 0.451 776 M N -0.125 119.165 119.600 -0.516 0.000 7.319 776 M HA -0.300 3.860 4.480 -0.533 0.000 0.215 776 M C 1.110 177.277 176.300 -0.221 0.000 0.480 776 M CA 2.151 57.257 55.300 -0.324 0.000 1.311 776 M CB -2.177 nan 32.600 nan 0.000 0.421 776 M HN 0.396 nan 8.290 nan 0.000 0.582 777 T N -2.093 112.414 114.554 -0.079 0.000 2.954 777 T HA 0.781 4.811 4.350 -0.533 0.000 0.252 777 T C 2.109 176.788 174.700 -0.036 0.000 0.983 777 T CA 1.831 63.917 62.100 -0.023 0.000 0.941 777 T CB 0.148 nan 68.868 nan 0.000 1.141 777 T HN 3.061 nan 8.240 nan 0.000 0.500 778 G N 0.000 108.772 108.800 -0.047 0.000 5.446 778 G HA2 0.000 3.640 3.960 -0.533 0.000 0.244 778 G HA3 0.000 3.640 3.960 -0.533 0.000 0.244 778 G CA 0.000 45.076 45.100 -0.041 0.000 0.502 778 G HN 0.000 nan 8.290 nan 0.000 0.925