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 2x3j_1_A DATA FIRST_RESID 3 DATA SEQUENCE NRNHDVLSRM ISEKAALHGL LNCLIKEFAI PEGYLRYEWP DEMKGIPPGA DATA SEQUENCE YFDGADWKGI PMMIGLPDQL QLFVMVDRRD TFGSQHYLSD VYLRQAQGDW DATA SEQUENCE QCPDFEPLVA RLLAACEHIA GRKNPELYEQ ILQSQRLVSA IVSHNGRQRA DATA SEQUENCE DAPLQHYLQS EQGLWFGHPS HPAPKARLWP AHLGQEQWAP EFQARAALHQ DATA SEQUENCE FEVPVDGLHI GANGLTPQQV LDGFADQQPA SPGHAIICMH PVQAQLFMQD DATA SEQUENCE ARVQQLLRDN VIRDLGQSGR VASPTASIRT WFIDDHDYFI KGSLNVRITN DATA SEQUENCE CVRKNAWYEL ESTVLIDRLF RQLLDQHADT LGGLVAAAEP GVVSWSPAAA DATA SEQUENCE GELDSHWFRE QTGGILRENF CRRTGAERSI MAGTLFARGV DLQPMIQTFL DATA SEQUENCE RTHYGEALDD NALLYWFDDY QTRLLRPVLS LFFNHGVVME PHLQNSVLVH DATA SEQUENCE QQGRPQQVLL RDFEGVKLTD DLGIRYIDDD IHPRVRQSLL YSREQGWNRI DATA SEQUENCE MYCLFINHLS ETILALSQGR PQLAPLMWRR VQQQLRAIQG ELKQPSPELD DATA SEQUENCE ALIAGHPVAC KTNLKVRLAA EADRQASYVR LPSPWG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.547 175.510 0.062 0.000 1.280 3 N CA 0.000 53.072 53.050 0.037 0.000 0.885 3 N CB 0.000 38.487 38.487 0.000 0.000 1.341 4 R N 1.742 122.280 120.500 0.064 0.000 1.252 4 R HA -0.350 3.980 4.340 -0.016 0.000 0.031 4 R C 0.943 177.269 176.300 0.043 0.000 0.958 4 R CA 2.971 59.097 56.100 0.043 0.000 1.965 4 R CB -1.882 28.434 30.300 0.027 0.000 0.201 4 R HN 0.762 nan 8.270 nan 0.000 0.724 5 N N -0.653 118.076 118.700 0.048 0.000 2.166 5 N HA -0.159 4.571 4.740 -0.016 0.000 0.186 5 N C 1.812 177.356 175.510 0.057 0.000 1.019 5 N CA 1.946 55.022 53.050 0.043 0.000 0.856 5 N CB -0.348 38.163 38.487 0.041 0.000 0.993 5 N HN 0.604 nan 8.380 nan 0.000 0.426 6 H N -0.565 118.493 119.070 -0.020 0.000 2.421 6 H HA -0.092 4.454 4.556 -0.016 0.000 0.298 6 H C 0.622 175.933 175.328 -0.029 0.000 1.087 6 H CA 1.587 57.617 56.048 -0.029 0.000 1.330 6 H CB 0.210 29.951 29.762 -0.034 0.000 1.388 6 H HN 0.366 nan 8.280 nan 0.000 0.526 7 D N -0.039 120.368 120.400 0.011 0.000 2.097 7 D HA -0.114 4.517 4.640 -0.016 0.000 0.197 7 D C 2.467 178.729 176.300 -0.063 0.000 0.984 7 D CA 0.746 54.727 54.000 -0.031 0.000 0.826 7 D CB -0.257 40.551 40.800 0.014 0.000 0.973 7 D HN 0.205 nan 8.370 nan 0.000 0.460 8 V N 1.096 120.985 119.914 -0.041 0.000 2.295 8 V HA -0.199 3.911 4.120 -0.016 0.000 0.246 8 V C 2.470 178.521 176.094 -0.072 0.000 1.049 8 V CA 0.972 63.246 62.300 -0.044 0.000 1.024 8 V CB -0.381 31.430 31.823 -0.020 0.000 0.648 8 V HN 0.122 nan 8.190 nan 0.000 0.447 9 L N 0.189 121.358 121.223 -0.089 0.000 1.994 9 L HA -0.139 4.191 4.340 -0.016 0.000 0.208 9 L C 2.644 179.423 176.870 -0.153 0.000 1.071 9 L CA 2.138 56.912 54.840 -0.110 0.000 0.745 9 L CB -1.001 40.989 42.059 -0.114 0.000 0.892 9 L HN 0.305 nan 8.230 nan 0.000 0.431 10 S N -0.738 114.821 115.700 -0.235 0.000 2.365 10 S HA -0.276 4.184 4.470 -0.016 0.000 0.225 10 S C 2.058 176.574 174.600 -0.140 0.000 1.039 10 S CA 1.618 59.684 58.200 -0.224 0.000 1.033 10 S CB -0.415 62.616 63.200 -0.282 0.000 0.887 10 S HN 0.409 nan 8.310 nan 0.000 0.447 11 R N 0.791 121.216 120.500 -0.125 0.000 2.080 11 R HA -0.089 4.242 4.340 -0.016 0.000 0.236 11 R C 2.369 178.584 176.300 -0.142 0.000 1.137 11 R CA 1.781 57.808 56.100 -0.121 0.000 0.943 11 R CB -0.321 29.922 30.300 -0.095 0.000 0.846 11 R HN 0.393 nan 8.270 nan 0.000 0.431 12 M N 0.043 119.576 119.600 -0.113 0.000 2.159 12 M HA -0.149 4.322 4.480 -0.016 0.000 0.263 12 M C 2.269 178.497 176.300 -0.120 0.000 1.063 12 M CA 1.515 56.752 55.300 -0.106 0.000 1.110 12 M CB -0.248 32.312 32.600 -0.067 0.000 1.374 12 M HN 0.199 nan 8.290 nan 0.000 0.411 13 I N 0.229 120.738 120.570 -0.102 0.000 2.163 13 I HA -0.325 3.836 4.170 -0.016 0.000 0.243 13 I C 2.757 178.822 176.117 -0.087 0.000 1.085 13 I CA 1.815 63.065 61.300 -0.083 0.000 1.347 13 I CB -0.607 37.375 38.000 -0.030 0.000 1.044 13 I HN 0.381 nan 8.210 nan 0.000 0.408 14 S N 0.352 116.012 115.700 -0.067 0.000 2.368 14 S HA -0.210 4.251 4.470 -0.016 0.000 0.225 14 S C 1.828 176.290 174.600 -0.230 0.000 1.030 14 S CA 1.264 59.430 58.200 -0.056 0.000 0.999 14 S CB -0.561 62.596 63.200 -0.070 0.000 0.844 14 S HN 0.496 nan 8.310 nan 0.000 0.459 15 E N 1.395 121.376 120.200 -0.366 0.000 2.051 15 E HA -0.132 4.208 4.350 -0.016 0.000 0.192 15 E C 2.194 178.642 176.600 -0.253 0.000 0.991 15 E CA 1.172 57.221 56.400 -0.585 0.000 0.799 15 E CB -0.173 29.216 29.700 -0.517 0.000 0.748 15 E HN 0.617 nan 8.360 nan 0.000 0.449 16 K N 0.625 120.885 120.400 -0.233 0.000 2.063 16 K HA -0.166 4.144 4.320 -0.016 0.000 0.208 16 K C 2.091 178.388 176.600 -0.505 0.000 1.048 16 K CA 1.248 57.327 56.287 -0.346 0.000 0.928 16 K CB -0.085 32.214 32.500 -0.335 0.000 0.713 16 K HN 0.083 nan 8.250 nan 0.000 0.442 17 A N 0.830 123.423 122.820 -0.379 0.000 1.873 17 A HA -0.057 4.254 4.320 -0.016 0.000 0.215 17 A C 2.307 179.830 177.584 -0.102 0.000 1.186 17 A CA 1.719 53.534 52.037 -0.370 0.000 0.616 17 A CB -0.795 17.812 19.000 -0.654 0.000 0.823 17 A HN 0.456 nan 8.150 nan 0.000 0.442 18 A N -0.372 122.441 122.820 -0.012 0.000 1.902 18 A HA -0.055 4.256 4.320 -0.016 0.000 0.217 18 A C 2.134 179.842 177.584 0.206 0.000 1.181 18 A CA 1.783 53.905 52.037 0.142 0.000 0.623 18 A CB -0.672 18.434 19.000 0.176 0.000 0.818 18 A HN 0.737 nan 8.150 nan 0.000 0.443 19 L N -0.287 121.072 121.223 0.227 0.000 2.042 19 L HA -0.196 4.134 4.340 -0.016 0.000 0.210 19 L C 2.228 179.175 176.870 0.128 0.000 1.076 19 L CA 2.417 57.366 54.840 0.181 0.000 0.749 19 L CB -1.025 41.134 42.059 0.166 0.000 0.893 19 L HN 0.593 nan 8.230 nan 0.000 0.432 20 H N -1.413 117.633 119.070 -0.039 0.000 2.387 20 H HA -0.072 4.470 4.556 -0.023 0.000 0.299 20 H C 2.046 177.408 175.328 0.058 0.000 1.090 20 H CA 0.537 56.548 56.048 -0.061 0.000 1.332 20 H CB -0.126 29.680 29.762 0.074 0.000 1.386 20 H HN 0.552 nan 8.280 nan 0.000 0.516 21 G N 1.020 109.944 108.800 0.206 0.000 2.418 21 G HA2 -0.241 3.710 3.960 -0.016 0.000 0.217 21 G HA3 -0.241 3.710 3.960 -0.016 0.000 0.217 21 G C 1.669 176.644 174.900 0.125 0.000 1.158 21 G CA 0.552 45.756 45.100 0.175 0.000 0.771 21 G HN 0.209 nan 8.290 nan 0.000 0.545 22 L N 0.446 121.728 121.223 0.099 0.000 2.046 22 L HA 0.125 4.455 4.340 -0.016 0.000 0.208 22 L C 2.721 179.618 176.870 0.044 0.000 1.077 22 L CA 1.252 56.126 54.840 0.058 0.000 0.747 22 L CB -0.439 41.643 42.059 0.038 0.000 0.896 22 L HN 0.203 nan 8.230 nan 0.000 0.432 23 L N -0.686 120.541 121.223 0.007 0.000 2.017 23 L HA -0.255 4.076 4.340 -0.016 0.000 0.208 23 L C 2.337 179.269 176.870 0.104 0.000 1.073 23 L CA 1.373 56.196 54.840 -0.028 0.000 0.745 23 L CB -0.808 41.049 42.059 -0.337 0.000 0.894 23 L HN 0.340 nan 8.230 nan 0.000 0.432 24 N N -0.290 118.511 118.700 0.168 0.000 2.037 24 N HA -0.224 4.506 4.740 -0.016 0.000 0.196 24 N C 1.832 177.418 175.510 0.126 0.000 1.034 24 N CA 1.918 55.079 53.050 0.185 0.000 0.861 24 N CB -0.811 37.787 38.487 0.185 0.000 1.039 24 N HN 0.355 nan 8.380 nan 0.000 0.427 25 C N -0.034 119.325 119.300 0.098 0.000 2.432 25 C HA -0.017 4.433 4.460 -0.016 0.000 0.277 25 C C 2.734 177.806 174.990 0.136 0.000 1.249 25 C CA 0.097 59.157 59.018 0.071 0.000 1.725 25 C CB -1.293 26.472 27.740 0.041 0.000 2.028 25 C HN 0.476 nan 8.230 nan 0.000 0.477 26 L N 0.920 122.246 121.223 0.172 0.000 2.042 26 L HA -0.135 4.195 4.340 -0.016 0.000 0.210 26 L C 2.170 179.178 176.870 0.231 0.000 1.076 26 L CA 2.018 57.008 54.840 0.252 0.000 0.749 26 L CB -0.508 41.629 42.059 0.131 0.000 0.893 26 L HN 0.340 nan 8.230 nan 0.000 0.432 27 I N -0.952 119.707 120.570 0.150 0.000 2.233 27 I HA -0.238 3.922 4.170 -0.016 0.000 0.243 27 I C 2.368 178.532 176.117 0.079 0.000 1.093 27 I CA 1.241 62.611 61.300 0.117 0.000 1.380 27 I CB -0.271 37.803 38.000 0.123 0.000 1.067 27 I HN 0.189 nan 8.210 nan 0.000 0.413 28 K N 0.591 121.029 120.400 0.064 0.000 2.103 28 K HA -0.105 4.205 4.320 -0.016 0.000 0.204 28 K C 1.819 178.377 176.600 -0.071 0.000 1.052 28 K CA 1.212 57.509 56.287 0.017 0.000 0.945 28 K CB 0.004 32.520 32.500 0.027 0.000 0.722 28 K HN 0.345 nan 8.250 nan 0.000 0.443 29 E N -1.099 119.020 120.200 -0.135 0.000 2.364 29 E HA 0.035 4.375 4.350 -0.016 0.000 0.196 29 E C 0.900 177.103 176.600 -0.662 0.000 0.990 29 E CA 0.546 56.693 56.400 -0.422 0.000 0.886 29 E CB 0.324 29.687 29.700 -0.563 0.000 0.866 29 E HN 0.167 nan 8.360 nan 0.000 0.493 30 F N -0.111 119.823 119.950 -0.026 0.000 2.423 30 F HA 0.315 4.832 4.527 -0.017 0.000 0.269 30 F C 2.170 177.904 175.800 -0.109 0.000 0.880 30 F CA 0.306 58.287 58.000 -0.032 0.000 1.134 30 F CB -0.702 38.342 39.000 0.073 0.000 1.143 30 F HN -0.091 nan 8.300 nan 0.000 0.802 31 A N 0.842 123.778 122.820 0.193 0.000 1.883 31 A HA -0.126 4.184 4.320 -0.016 0.000 0.217 31 A C 2.141 179.701 177.584 -0.040 0.000 1.186 31 A CA 1.997 54.103 52.037 0.114 0.000 0.624 31 A CB -1.162 17.923 19.000 0.142 0.000 0.822 31 A HN 0.382 nan 8.150 nan 0.000 0.444 32 I N -0.160 120.394 120.570 -0.028 0.000 2.133 32 I HA -0.125 4.035 4.170 -0.016 0.000 0.238 32 I C -0.548 175.514 176.117 -0.092 0.000 1.074 32 I CA 1.244 62.518 61.300 -0.044 0.000 1.342 32 I CB -1.073 36.927 38.000 0.000 0.000 1.053 32 I HN 0.218 nan 8.210 nan 0.000 0.404 33 P HA -0.124 nan 4.420 nan 0.000 0.223 33 P C 0.889 178.084 177.300 -0.175 0.000 1.151 33 P CA 1.343 64.371 63.100 -0.120 0.000 0.787 33 P CB -0.020 31.604 31.700 -0.125 0.000 0.788 34 E N -1.527 118.488 120.200 -0.308 0.000 2.481 34 E HA 0.249 4.590 4.350 -0.016 0.000 0.198 34 E C 0.665 176.940 176.600 -0.542 0.000 1.027 34 E CA 0.163 56.276 56.400 -0.479 0.000 0.900 34 E CB -0.131 29.124 29.700 -0.742 0.000 0.993 34 E HN 0.103 nan 8.360 nan 0.000 0.482 35 G N 1.572 110.178 108.800 -0.324 0.000 2.225 35 G HA2 -0.268 3.682 3.960 -0.016 0.000 0.264 35 G HA3 -0.268 3.682 3.960 -0.016 0.000 0.264 35 G C 0.082 175.002 174.900 0.034 0.000 1.060 35 G CA 0.112 45.141 45.100 -0.119 0.000 0.833 35 G HN 0.254 nan 8.290 nan 0.000 0.498 36 Y N -1.260 119.045 120.300 0.007 0.000 2.457 36 Y HA 0.474 5.013 4.550 -0.017 0.000 0.263 36 Y C 1.555 177.434 175.900 -0.035 0.000 1.164 36 Y CA -0.915 57.184 58.100 -0.003 0.000 1.274 36 Y CB 0.221 38.690 38.460 0.015 0.000 1.097 36 Y HN 0.431 nan 8.280 nan 0.000 0.523 37 L N 1.241 122.500 121.223 0.060 0.000 2.307 37 L HA 0.552 4.882 4.340 -0.016 0.000 0.284 37 L C -0.489 176.287 176.870 -0.157 0.000 1.023 37 L CA -0.428 54.364 54.840 -0.081 0.000 0.810 37 L CB 0.949 42.921 42.059 -0.146 0.000 1.231 37 L HN -0.054 nan 8.230 nan 0.000 0.423 38 R N 3.729 124.092 120.500 -0.228 0.000 2.628 38 R HA 0.297 4.627 4.340 -0.016 0.000 0.288 38 R C -1.636 174.455 176.300 -0.348 0.000 0.980 38 R CA -0.659 55.319 56.100 -0.203 0.000 0.891 38 R CB 1.761 32.025 30.300 -0.061 0.000 1.188 38 R HN 0.493 nan 8.270 nan 0.000 0.450 39 Y N 1.700 121.956 120.300 -0.073 0.000 2.724 39 Y HA 0.232 4.771 4.550 -0.019 0.000 0.332 39 Y C 0.035 175.838 175.900 -0.161 0.000 1.276 39 Y CA -0.050 57.968 58.100 -0.137 0.000 1.597 39 Y CB 0.415 38.803 38.460 -0.120 0.000 1.584 39 Y HN 0.348 nan 8.280 nan 0.000 0.478 40 E N 0.155 120.293 120.200 -0.102 0.000 2.383 40 E HA 0.250 4.590 4.350 -0.016 0.000 0.275 40 E C -1.495 175.008 176.600 -0.162 0.000 0.918 40 E CA -1.109 55.236 56.400 -0.091 0.000 0.764 40 E CB 1.721 31.429 29.700 0.014 0.000 1.252 40 E HN 0.326 nan 8.360 nan 0.000 0.449 41 W N 2.045 123.322 121.300 -0.039 0.000 2.218 41 W HA 0.283 4.926 4.660 -0.027 0.000 0.326 41 W C -1.920 174.556 176.519 -0.072 0.000 1.276 41 W CA -1.351 55.935 57.345 -0.098 0.000 1.210 41 W CB -0.048 29.279 29.460 -0.222 0.000 1.143 41 W HN 0.270 nan 8.180 nan 0.000 0.563 42 P HA -0.080 nan 4.420 nan 0.000 0.266 42 P C 0.515 177.872 177.300 0.094 0.000 1.195 42 P CA 0.281 63.467 63.100 0.144 0.000 0.768 42 P CB 0.815 32.603 31.700 0.147 0.000 0.838 43 D N 0.443 120.900 120.400 0.094 0.000 2.178 43 D HA -0.117 4.514 4.640 -0.016 0.000 0.201 43 D C 0.566 176.882 176.300 0.026 0.000 0.980 43 D CA 1.578 55.605 54.000 0.046 0.000 0.842 43 D CB 0.164 40.988 40.800 0.039 0.000 0.948 43 D HN 0.429 nan 8.370 nan 0.000 0.472 44 E N -0.182 120.061 120.200 0.071 0.000 2.187 44 E HA 0.200 4.540 4.350 -0.016 0.000 0.268 44 E C 0.238 176.922 176.600 0.140 0.000 0.896 44 E CA -0.259 56.181 56.400 0.067 0.000 0.766 44 E CB 1.109 30.842 29.700 0.055 0.000 1.142 44 E HN -0.243 nan 8.360 nan 0.000 0.408 45 M N 2.455 122.063 119.600 0.013 0.000 2.333 45 M HA 0.170 4.640 4.480 -0.016 0.000 0.257 45 M C 0.414 176.729 176.300 0.024 0.000 1.078 45 M CA -0.094 55.130 55.300 -0.126 0.000 1.005 45 M CB -0.285 32.111 32.600 -0.341 0.000 1.444 45 M HN 0.415 nan 8.290 nan 0.000 0.496 46 K N 1.314 121.781 120.400 0.112 0.000 2.530 46 K HA 0.082 4.392 4.320 -0.016 0.000 0.280 46 K C 1.125 177.841 176.600 0.193 0.000 1.004 46 K CA 1.438 57.790 56.287 0.108 0.000 1.071 46 K CB 0.244 32.786 32.500 0.070 0.000 0.876 46 K HN 0.485 nan 8.250 nan 0.000 0.487 47 G N 3.714 112.598 108.800 0.139 0.000 2.279 47 G HA2 -0.245 3.706 3.960 -0.016 0.000 0.223 47 G HA3 -0.245 3.706 3.960 -0.016 0.000 0.223 47 G C 0.140 175.120 174.900 0.134 0.000 1.015 47 G CA 0.002 45.218 45.100 0.195 0.000 0.621 47 G HN 0.594 nan 8.290 nan 0.000 0.506 48 I N 4.473 124.993 120.570 -0.084 0.000 2.312 48 I HA 0.336 4.497 4.170 -0.016 0.000 0.291 48 I C -1.584 174.479 176.117 -0.089 0.000 1.031 48 I CA -2.016 59.023 61.300 -0.435 0.000 1.293 48 I CB 1.293 38.787 38.000 -0.843 0.000 1.403 48 I HN 0.007 nan 8.210 nan 0.000 0.484 49 P HA 0.177 nan 4.420 nan 0.000 0.275 49 P C -2.195 175.165 177.300 0.099 0.000 1.228 49 P CA -1.510 61.644 63.100 0.090 0.000 0.786 49 P CB 0.449 32.222 31.700 0.121 0.000 0.927 50 P HA -0.173 nan 4.420 nan 0.000 0.216 50 P C 1.599 178.741 177.300 -0.263 0.000 1.150 50 P CA 1.790 64.743 63.100 -0.246 0.000 0.837 50 P CB -0.616 31.041 31.700 -0.072 0.000 0.786 51 G N 0.018 108.803 108.800 -0.025 0.000 2.535 51 G HA2 -0.132 3.818 3.960 -0.016 0.000 0.218 51 G HA3 -0.132 3.818 3.960 -0.016 0.000 0.218 51 G C 1.697 176.644 174.900 0.078 0.000 1.122 51 G CA 0.722 45.836 45.100 0.023 0.000 0.769 51 G HN 0.384 nan 8.290 nan 0.000 0.549 52 A N 0.364 123.268 122.820 0.139 0.000 1.969 52 A HA 0.117 4.427 4.320 -0.016 0.000 0.218 52 A C 1.942 179.773 177.584 0.411 0.000 1.169 52 A CA 1.627 53.847 52.037 0.304 0.000 0.635 52 A CB -0.332 18.873 19.000 0.343 0.000 0.810 52 A HN 0.817 nan 8.150 nan 0.000 0.445 53 Y N -5.255 115.253 120.300 0.347 0.000 2.499 53 Y HA 0.615 5.158 4.550 -0.011 0.000 0.253 53 Y C -0.005 176.291 175.900 0.661 0.000 1.105 53 Y CA -1.640 56.761 58.100 0.500 0.000 1.240 53 Y CB 0.020 38.863 38.460 0.638 0.000 1.289 53 Y HN 0.083 nan 8.280 nan 0.000 0.534 54 F N 3.528 123.473 119.950 -0.008 0.000 2.539 54 F HA 0.463 5.001 4.527 0.020 0.000 0.318 54 F C -0.148 175.628 175.800 -0.039 0.000 1.135 54 F CA -1.631 56.383 58.000 0.025 0.000 0.915 54 F CB 1.581 40.489 39.000 -0.153 0.000 1.176 54 F HN 0.071 nan 8.300 nan 0.000 0.440 55 D N 2.413 122.404 120.400 -0.681 0.000 2.349 55 D HA 0.300 4.931 4.640 -0.016 0.000 0.214 55 D C 1.430 177.244 176.300 -0.809 0.000 1.063 55 D CA 0.616 54.281 54.000 -0.558 0.000 0.847 55 D CB 0.532 41.176 40.800 -0.260 0.000 0.933 55 D HN 0.975 nan 8.370 nan 0.000 0.513 56 G N -0.562 107.195 108.800 -1.738 0.000 2.278 56 G HA2 -0.166 3.784 3.960 -0.016 0.000 0.210 56 G HA3 -0.166 3.784 3.960 -0.016 0.000 0.210 56 G C 0.993 175.564 174.900 -0.548 0.000 1.000 56 G CA 0.098 44.586 45.100 -1.019 0.000 0.635 56 G HN 0.868 nan 8.290 nan 0.000 0.495 57 A N -1.283 121.220 122.820 -0.528 0.000 2.140 57 A HA 0.604 4.914 4.320 -0.016 0.000 0.199 57 A C 0.398 177.877 177.584 -0.176 0.000 1.416 57 A CA 1.648 53.565 52.037 -0.200 0.000 1.018 57 A CB 0.826 19.733 19.000 -0.156 0.000 1.117 57 A HN 0.484 nan 8.150 nan 0.000 0.480 58 D N -2.903 117.335 120.400 -0.270 0.000 2.665 58 D HA 0.360 4.991 4.640 -0.016 0.000 0.287 58 D C -1.542 174.676 176.300 -0.137 0.000 1.266 58 D CA -0.587 53.249 54.000 -0.272 0.000 0.830 58 D CB 0.601 41.327 40.800 -0.125 0.000 1.356 58 D HN 0.213 nan 8.370 nan 0.000 0.437 59 W N 1.153 122.617 121.300 0.273 0.000 2.170 59 W HA 0.301 4.947 4.660 -0.024 0.000 0.336 59 W C 0.970 177.634 176.519 0.242 0.000 1.283 59 W CA -0.576 56.991 57.345 0.370 0.000 1.224 59 W CB 0.489 30.268 29.460 0.532 0.000 1.132 59 W HN -0.018 nan 8.180 nan 0.000 0.571 60 K N 3.557 124.268 120.400 0.520 0.000 2.480 60 K HA 0.302 4.612 4.320 -0.016 0.000 0.241 60 K C 0.738 177.485 176.600 0.246 0.000 1.261 60 K CA 0.359 56.822 56.287 0.293 0.000 1.193 60 K CB -0.454 32.196 32.500 0.249 0.000 1.598 60 K HN 0.787 nan 8.250 nan 0.000 0.278 61 G N 1.443 110.382 108.800 0.233 0.000 2.488 61 G HA2 -0.269 3.682 3.960 -0.016 0.000 0.237 61 G HA3 -0.269 3.682 3.960 -0.016 0.000 0.237 61 G C -0.490 174.482 174.900 0.120 0.000 1.209 61 G CA -0.807 44.377 45.100 0.140 0.000 0.929 61 G HN 0.348 nan 8.290 nan 0.000 0.578 62 I N 3.107 123.666 120.570 -0.018 0.000 2.433 62 I HA 0.427 4.587 4.170 -0.016 0.000 0.292 62 I C -2.042 173.895 176.117 -0.299 0.000 1.001 62 I CA -2.200 59.021 61.300 -0.133 0.000 1.119 62 I CB 2.597 40.537 38.000 -0.100 0.000 1.289 62 I HN 0.342 nan 8.210 nan 0.000 0.438 63 P HA 0.133 nan 4.420 nan 0.000 0.276 63 P C -1.082 175.976 177.300 -0.404 0.000 1.230 63 P CA -0.326 62.319 63.100 -0.757 0.000 0.776 63 P CB 1.190 32.125 31.700 -1.276 0.000 0.888 64 M N 4.445 123.781 119.600 -0.441 0.000 2.253 64 M HA 0.445 4.915 4.480 -0.016 0.000 0.314 64 M C -1.314 174.810 176.300 -0.292 0.000 1.019 64 M CA -0.720 54.373 55.300 -0.345 0.000 0.932 64 M CB 1.251 33.696 32.600 -0.258 0.000 1.606 64 M HN 0.269 nan 8.290 nan 0.000 0.430 65 M N 5.806 125.288 119.600 -0.198 0.000 2.383 65 M HA 0.548 5.019 4.480 -0.016 0.000 0.325 65 M C -1.325 174.955 176.300 -0.034 0.000 1.092 65 M CA -0.548 54.734 55.300 -0.031 0.000 0.961 65 M CB 2.266 34.901 32.600 0.058 0.000 1.672 65 M HN 0.627 nan 8.290 nan 0.000 0.438 66 I N 1.883 122.476 120.570 0.039 0.000 2.410 66 I HA 0.431 4.592 4.170 -0.016 0.000 0.286 66 I C 0.340 176.484 176.117 0.046 0.000 1.009 66 I CA -0.675 60.653 61.300 0.046 0.000 1.111 66 I CB 1.937 39.970 38.000 0.055 0.000 1.262 66 I HN 0.769 nan 8.210 nan 0.000 0.443 67 G N 7.446 116.255 108.800 0.015 0.000 2.356 67 G HA2 0.650 4.600 3.960 -0.016 0.000 0.312 67 G HA3 0.650 4.600 3.960 -0.016 0.000 0.312 67 G C -0.548 174.204 174.900 -0.247 0.000 1.096 67 G CA -0.251 44.806 45.100 -0.073 0.000 0.950 67 G HN 0.406 nan 8.290 nan 0.000 0.428 68 L N 3.379 124.452 121.223 -0.250 0.000 2.331 68 L HA 0.541 4.871 4.340 -0.016 0.000 0.268 68 L C -1.541 175.109 176.870 -0.367 0.000 1.015 68 L CA -2.253 52.368 54.840 -0.364 0.000 0.807 68 L CB 2.043 43.964 42.059 -0.230 0.000 1.293 68 L HN 0.321 nan 8.230 nan 0.000 0.451 69 P HA -0.053 nan 4.420 nan 0.000 0.273 69 P C -0.486 176.553 177.300 -0.435 0.000 1.252 69 P CA 0.060 62.892 63.100 -0.447 0.000 0.809 69 P CB 0.252 31.555 31.700 -0.662 0.000 1.017 70 D N -2.031 118.090 120.400 -0.465 0.000 3.059 70 D HA -0.207 4.423 4.640 -0.016 0.000 0.222 70 D C 0.117 176.287 176.300 -0.216 0.000 1.185 70 D CA 1.601 55.413 54.000 -0.313 0.000 0.904 70 D CB -1.635 38.978 40.800 -0.312 0.000 1.122 70 D HN 0.604 nan 8.370 nan 0.000 0.410 71 Q N -3.134 116.541 119.800 -0.209 0.000 2.502 71 Q HA -0.239 4.091 4.340 -0.016 0.000 0.273 71 Q C -0.128 175.766 176.000 -0.177 0.000 1.127 71 Q CA 0.628 56.328 55.803 -0.171 0.000 0.952 71 Q CB -1.464 27.189 28.738 -0.142 0.000 1.333 71 Q HN 0.509 nan 8.270 nan 0.000 0.494 72 L N 0.999 122.110 121.223 -0.187 0.000 2.292 72 L HA 0.364 4.694 4.340 -0.016 0.000 0.284 72 L C -0.211 176.583 176.870 -0.128 0.000 1.065 72 L CA 0.426 55.168 54.840 -0.162 0.000 0.806 72 L CB 1.285 43.252 42.059 -0.153 0.000 1.175 72 L HN 0.103 nan 8.230 nan 0.000 0.431 73 Q N 4.527 124.264 119.800 -0.106 0.000 2.377 73 Q HA 0.591 4.922 4.340 -0.016 0.000 0.271 73 Q C -1.465 174.671 176.000 0.227 0.000 1.077 73 Q CA -0.716 55.104 55.803 0.028 0.000 0.820 73 Q CB 2.960 31.715 28.738 0.029 0.000 1.347 73 Q HN 0.705 nan 8.270 nan 0.000 0.444 74 L N 2.309 123.714 121.223 0.303 0.000 2.346 74 L HA 0.699 5.030 4.340 -0.016 0.000 0.274 74 L C -1.722 175.377 176.870 0.383 0.000 1.007 74 L CA -0.818 54.233 54.840 0.351 0.000 0.818 74 L CB 1.096 43.244 42.059 0.148 0.000 1.284 74 L HN 0.689 nan 8.230 nan 0.000 0.424 75 F N 5.724 125.752 119.950 0.131 0.000 2.529 75 F HA 0.755 5.270 4.527 -0.020 0.000 0.320 75 F C -1.619 174.157 175.800 -0.040 0.000 1.118 75 F CA -0.531 57.375 58.000 -0.158 0.000 0.915 75 F CB 1.812 40.364 39.000 -0.747 0.000 1.161 75 F HN 0.301 nan 8.300 nan 0.000 0.445 76 V N 7.279 126.701 119.914 -0.819 0.000 3.048 76 V HA 0.490 4.600 4.120 -0.016 0.000 0.303 76 V C -1.428 174.221 176.094 -0.743 0.000 1.214 76 V CA -0.872 61.073 62.300 -0.592 0.000 0.984 76 V CB 2.369 34.103 31.823 -0.149 0.000 1.054 76 V HN 0.787 nan 8.190 nan 0.000 0.430 77 M N 5.605 124.935 119.600 -0.449 0.000 2.249 77 M HA 0.596 5.066 4.480 -0.016 0.000 0.351 77 M C -0.318 175.930 176.300 -0.086 0.000 1.180 77 M CA -0.261 54.876 55.300 -0.272 0.000 1.127 77 M CB 1.083 33.659 32.600 -0.040 0.000 1.546 77 M HN 0.740 nan 8.290 nan 0.000 0.461 78 V N 0.410 120.275 119.914 -0.081 0.000 3.102 78 V HA 0.567 4.678 4.120 -0.016 0.000 0.312 78 V C 0.327 176.399 176.094 -0.036 0.000 1.135 78 V CA -0.804 61.460 62.300 -0.059 0.000 1.022 78 V CB 2.026 33.810 31.823 -0.065 0.000 1.056 78 V HN 0.862 nan 8.190 nan 0.000 0.436 79 D N 0.695 121.074 120.400 -0.036 0.000 2.348 79 D HA 0.060 4.690 4.640 -0.016 0.000 0.211 79 D C 0.563 176.843 176.300 -0.034 0.000 0.998 79 D CA 0.503 54.501 54.000 -0.004 0.000 0.873 79 D CB 0.317 41.144 40.800 0.044 0.000 0.925 79 D HN 0.907 nan 8.370 nan 0.000 0.524 80 R N -1.254 119.199 120.500 -0.078 0.000 2.687 80 R HA 0.441 4.771 4.340 -0.016 0.000 0.265 80 R C -1.299 174.873 176.300 -0.214 0.000 1.048 80 R CA -0.929 55.096 56.100 -0.126 0.000 0.884 80 R CB 1.034 31.285 30.300 -0.082 0.000 1.258 80 R HN -0.244 nan 8.270 nan 0.000 0.469 81 R N 1.107 121.373 120.500 -0.391 0.000 2.390 81 R HA 0.291 4.622 4.340 -0.016 0.000 0.291 81 R C -1.063 175.104 176.300 -0.223 0.000 1.070 81 R CA -0.318 55.427 56.100 -0.591 0.000 1.014 81 R CB 0.760 30.574 30.300 -0.810 0.000 1.007 81 R HN 0.685 nan 8.270 nan 0.000 0.466 82 D N 0.130 120.485 120.400 -0.074 0.000 2.966 82 D HA 0.033 4.663 4.640 -0.016 0.000 0.222 82 D C 0.633 176.918 176.300 -0.025 0.000 1.292 82 D CA -0.419 53.549 54.000 -0.053 0.000 0.907 82 D CB 1.529 42.326 40.800 -0.005 0.000 1.621 82 D HN 0.524 nan 8.370 nan 0.000 0.557 83 T N 0.754 115.210 114.554 -0.162 0.000 3.035 83 T HA -0.047 4.293 4.350 -0.016 0.000 0.268 83 T C 1.207 175.934 174.700 0.045 0.000 1.109 83 T CA 0.651 62.665 62.100 -0.143 0.000 1.119 83 T CB -0.194 68.475 68.868 -0.332 0.000 0.900 83 T HN 0.295 nan 8.240 nan 0.000 0.503 84 F N 1.863 121.755 119.950 -0.097 0.000 2.693 84 F HA 0.498 5.015 4.527 -0.017 0.000 0.303 84 F C 1.963 177.767 175.800 0.008 0.000 1.097 84 F CA -1.314 56.657 58.000 -0.048 0.000 1.330 84 F CB -0.677 38.309 39.000 -0.023 0.000 1.067 84 F HN 0.398 nan 8.300 nan 0.000 0.565 85 G N 0.851 109.759 108.800 0.179 0.000 2.249 85 G HA2 -0.272 3.678 3.960 -0.016 0.000 0.273 85 G HA3 -0.272 3.678 3.960 -0.016 0.000 0.273 85 G C 0.167 175.116 174.900 0.083 0.000 1.036 85 G CA 0.419 45.591 45.100 0.119 0.000 0.824 85 G HN 0.264 nan 8.290 nan 0.000 0.504 86 S N 1.211 116.960 115.700 0.080 0.000 2.420 86 S HA 0.646 5.107 4.470 -0.016 0.000 0.313 86 S C 0.074 174.594 174.600 -0.132 0.000 1.079 86 S CA -0.313 57.885 58.200 -0.004 0.000 1.104 86 S CB 1.429 64.685 63.200 0.093 0.000 0.969 86 S HN 0.828 nan 8.310 nan 0.000 0.471 87 Q N 2.385 121.991 119.800 -0.323 0.000 2.575 87 Q HA 0.349 4.679 4.340 -0.016 0.000 0.290 87 Q C -1.624 173.942 176.000 -0.724 0.000 0.963 87 Q CA -0.876 54.671 55.803 -0.426 0.000 0.783 87 Q CB 0.756 29.299 28.738 -0.324 0.000 1.467 87 Q HN 0.580 nan 8.270 nan 0.000 0.402 88 H N 1.123 119.981 119.070 -0.353 0.000 2.527 88 H HA 0.335 4.887 4.556 -0.006 0.000 0.321 88 H C -0.751 174.333 175.328 -0.406 0.000 1.087 88 H CA -0.145 55.702 56.048 -0.336 0.000 1.337 88 H CB 0.532 30.217 29.762 -0.128 0.000 1.440 88 H HN 0.450 nan 8.280 nan 0.000 0.490 89 Y N 2.508 122.753 120.300 -0.091 0.000 2.365 89 Y HA 0.071 4.608 4.550 -0.022 0.000 0.340 89 Y C 1.289 177.191 175.900 0.004 0.000 1.016 89 Y CA -0.415 57.598 58.100 -0.144 0.000 1.196 89 Y CB 0.730 38.931 38.460 -0.431 0.000 1.167 89 Y HN 0.474 nan 8.280 nan 0.000 0.509 90 L N 2.392 123.702 121.223 0.146 0.000 2.640 90 L HA 0.184 4.515 4.340 -0.016 0.000 0.230 90 L C 0.439 177.409 176.870 0.167 0.000 1.123 90 L CA 0.051 54.973 54.840 0.138 0.000 0.900 90 L CB -0.055 42.066 42.059 0.103 0.000 1.146 90 L HN 0.647 nan 8.230 nan 0.000 0.484 91 S N -3.131 112.680 115.700 0.185 0.000 2.685 91 S HA 0.442 4.902 4.470 -0.016 0.000 0.282 91 S C -0.900 173.842 174.600 0.237 0.000 1.159 91 S CA -1.052 57.285 58.200 0.229 0.000 0.833 91 S CB 2.041 65.405 63.200 0.272 0.000 1.151 91 S HN -0.112 nan 8.310 nan 0.000 0.485 92 D N 0.798 121.362 120.400 0.274 0.000 2.368 92 D HA 0.301 4.931 4.640 -0.016 0.000 0.240 92 D C -0.064 176.348 176.300 0.188 0.000 1.169 92 D CA -0.057 54.056 54.000 0.188 0.000 0.906 92 D CB 0.777 41.646 40.800 0.114 0.000 1.187 92 D HN 0.392 nan 8.370 nan 0.000 0.435 93 V N 2.060 121.999 119.914 0.042 0.000 2.530 93 V HA 0.065 4.175 4.120 -0.016 0.000 0.282 93 V C -0.355 175.710 176.094 -0.049 0.000 1.048 93 V CA -0.047 62.283 62.300 0.051 0.000 0.997 93 V CB -0.096 31.725 31.823 -0.003 0.000 0.987 93 V HN 0.341 nan 8.190 nan 0.000 0.477 94 Y N 4.792 125.227 120.300 0.226 0.000 2.409 94 Y HA 0.672 5.209 4.550 -0.022 0.000 0.339 94 Y C 0.073 176.254 175.900 0.468 0.000 1.033 94 Y CA -0.663 57.630 58.100 0.321 0.000 1.094 94 Y CB 1.717 40.334 38.460 0.262 0.000 1.210 94 Y HN 0.392 nan 8.280 nan 0.000 0.456 95 L N 3.906 125.450 121.223 0.534 0.000 2.365 95 L HA 0.660 4.990 4.340 -0.016 0.000 0.273 95 L C -0.623 176.362 176.870 0.192 0.000 1.000 95 L CA -0.916 54.147 54.840 0.371 0.000 0.819 95 L CB 2.391 44.529 42.059 0.131 0.000 1.284 95 L HN 0.539 nan 8.230 nan 0.000 0.418 96 R N 2.103 122.477 120.500 -0.209 0.000 2.561 96 R HA 0.421 4.751 4.340 -0.016 0.000 0.297 96 R C -1.221 174.862 176.300 -0.363 0.000 0.969 96 R CA -0.665 55.100 56.100 -0.558 0.000 0.879 96 R CB 2.081 31.484 30.300 -1.495 0.000 1.178 96 R HN 0.540 nan 8.270 nan 0.000 0.445 97 Q N 3.615 123.256 119.800 -0.265 0.000 2.394 97 Q HA 0.472 4.803 4.340 -0.016 0.000 0.259 97 Q C 0.015 175.902 176.000 -0.189 0.000 1.021 97 Q CA 0.695 56.382 55.803 -0.193 0.000 0.805 97 Q CB 1.548 30.204 28.738 -0.136 0.000 1.226 97 Q HN 0.852 nan 8.270 nan 0.000 0.476 98 A N 3.701 126.409 122.820 -0.187 0.000 4.974 98 A HA -0.417 3.894 4.320 -0.016 0.000 0.339 98 A C 1.017 178.504 177.584 -0.161 0.000 1.785 98 A CA 2.242 54.186 52.037 -0.155 0.000 0.707 98 A CB -1.710 17.218 19.000 -0.121 0.000 1.430 98 A HN 0.851 nan 8.150 nan 0.000 0.398 99 Q N 0.426 120.144 119.800 -0.137 0.000 2.217 99 Q HA 0.484 4.815 4.340 -0.016 0.000 0.217 99 Q C 1.018 176.942 176.000 -0.127 0.000 0.844 99 Q CA 0.661 56.390 55.803 -0.123 0.000 0.957 99 Q CB 0.140 28.826 28.738 -0.087 0.000 1.127 99 Q HN 1.379 nan 8.270 nan 0.000 0.503 100 G N 0.822 109.535 108.800 -0.144 0.000 2.631 100 G HA2 0.136 4.086 3.960 -0.016 0.000 0.271 100 G HA3 0.136 4.086 3.960 -0.016 0.000 0.271 100 G C -0.550 174.244 174.900 -0.177 0.000 1.302 100 G CA -0.332 44.689 45.100 -0.131 0.000 1.002 100 G HN 0.146 nan 8.290 nan 0.000 0.519 101 D N -1.152 119.175 120.400 -0.121 0.000 2.388 101 D HA 0.201 4.832 4.640 -0.016 0.000 0.254 101 D C -0.142 176.091 176.300 -0.112 0.000 1.111 101 D CA -0.140 53.795 54.000 -0.109 0.000 0.993 101 D CB 0.675 41.484 40.800 0.015 0.000 1.118 101 D HN 0.374 nan 8.370 nan 0.000 0.502 102 W N 0.865 122.181 121.300 0.026 0.000 2.223 102 W HA 0.153 4.808 4.660 -0.008 0.000 0.334 102 W C 0.771 177.398 176.519 0.181 0.000 1.334 102 W CA 0.027 57.431 57.345 0.097 0.000 1.246 102 W CB 0.295 29.781 29.460 0.043 0.000 1.184 102 W HN -0.007 nan 8.180 nan 0.000 0.563 103 Q N 2.021 122.099 119.800 0.463 0.000 2.451 103 Q HA 0.466 4.796 4.340 -0.016 0.000 0.281 103 Q C -1.345 174.748 176.000 0.155 0.000 1.099 103 Q CA -1.102 54.878 55.803 0.294 0.000 0.806 103 Q CB 2.507 31.325 28.738 0.132 0.000 1.419 103 Q HN 0.471 nan 8.270 nan 0.000 0.427 104 C N 2.961 122.235 119.300 -0.043 0.000 2.317 104 C HA 0.550 5.001 4.460 -0.016 0.000 0.306 104 C C -2.282 172.640 174.990 -0.113 0.000 1.087 104 C CA -1.690 57.136 59.018 -0.321 0.000 1.529 104 C CB -0.727 26.686 27.740 -0.544 0.000 1.880 104 C HN 0.564 nan 8.230 nan 0.000 0.417 105 P HA 0.266 nan 4.420 nan 0.000 0.272 105 P C -0.206 177.085 177.300 -0.015 0.000 1.223 105 P CA 0.068 63.150 63.100 -0.029 0.000 0.784 105 P CB 0.619 32.300 31.700 -0.030 0.000 0.923 106 D N 0.166 120.575 120.400 0.015 0.000 2.362 106 D HA -0.041 4.589 4.640 -0.016 0.000 0.238 106 D C 1.082 177.430 176.300 0.080 0.000 1.212 106 D CA -0.174 53.861 54.000 0.058 0.000 0.902 106 D CB 0.152 40.992 40.800 0.067 0.000 1.180 106 D HN 0.292 nan 8.370 nan 0.000 0.445 107 F N 1.242 121.187 119.950 -0.008 0.000 2.043 107 F HA -0.267 4.250 4.527 -0.018 0.000 0.297 107 F C 2.030 177.841 175.800 0.019 0.000 1.118 107 F CA 1.888 59.885 58.000 -0.005 0.000 1.202 107 F CB 0.002 38.994 39.000 -0.013 0.000 0.965 107 F HN 0.398 nan 8.300 nan 0.000 0.482 108 E N 0.249 120.452 120.200 0.006 0.000 2.038 108 E HA -0.204 4.137 4.350 -0.016 0.000 0.195 108 E C -0.180 176.388 176.600 -0.052 0.000 1.000 108 E CA 1.637 58.001 56.400 -0.061 0.000 0.803 108 E CB -1.761 28.005 29.700 0.109 0.000 0.750 108 E HN 0.387 nan 8.360 nan 0.000 0.448 109 P HA -0.152 nan 4.420 nan 0.000 0.218 109 P C 1.566 178.821 177.300 -0.074 0.000 1.148 109 P CA 0.793 63.874 63.100 -0.032 0.000 0.822 109 P CB 0.002 31.693 31.700 -0.016 0.000 0.784 110 L N -0.577 120.581 121.223 -0.109 0.000 2.027 110 L HA -0.101 4.229 4.340 -0.016 0.000 0.206 110 L C 2.183 178.954 176.870 -0.165 0.000 1.074 110 L CA 1.785 56.550 54.840 -0.125 0.000 0.745 110 L CB -1.258 40.728 42.059 -0.120 0.000 0.898 110 L HN -0.195 nan 8.230 nan 0.000 0.433 111 V N 0.305 120.051 119.914 -0.280 0.000 2.255 111 V HA -0.337 3.773 4.120 -0.016 0.000 0.247 111 V C 2.841 178.906 176.094 -0.049 0.000 1.051 111 V CA 1.787 63.951 62.300 -0.227 0.000 1.018 111 V CB -1.409 30.174 31.823 -0.399 0.000 0.641 111 V HN 0.622 nan 8.190 nan 0.000 0.445 112 A N -0.136 122.678 122.820 -0.011 0.000 1.892 112 A HA -0.283 4.028 4.320 -0.016 0.000 0.218 112 A C 2.359 179.850 177.584 -0.154 0.000 1.188 112 A CA 2.266 54.212 52.037 -0.151 0.000 0.631 112 A CB -0.527 18.358 19.000 -0.192 0.000 0.822 112 A HN 0.549 nan 8.150 nan 0.000 0.447 113 R N -0.741 119.689 120.500 -0.116 0.000 2.073 113 R HA 0.084 4.415 4.340 -0.016 0.000 0.229 113 R C 2.117 178.355 176.300 -0.105 0.000 1.120 113 R CA 1.190 57.225 56.100 -0.107 0.000 0.967 113 R CB -0.413 29.835 30.300 -0.086 0.000 0.862 113 R HN 0.499 nan 8.270 nan 0.000 0.436 114 L N 0.412 121.578 121.223 -0.094 0.000 2.027 114 L HA -0.175 4.155 4.340 -0.016 0.000 0.206 114 L C 2.398 179.206 176.870 -0.104 0.000 1.074 114 L CA 0.771 55.557 54.840 -0.090 0.000 0.745 114 L CB -0.473 41.543 42.059 -0.073 0.000 0.898 114 L HN 0.197 nan 8.230 nan 0.000 0.433 115 L N 0.494 121.665 121.223 -0.086 0.000 2.046 115 L HA -0.151 4.179 4.340 -0.016 0.000 0.208 115 L C 2.655 179.458 176.870 -0.112 0.000 1.077 115 L CA 2.028 56.820 54.840 -0.079 0.000 0.747 115 L CB -0.749 41.297 42.059 -0.021 0.000 0.896 115 L HN 0.145 nan 8.230 nan 0.000 0.432 116 A N -0.470 122.276 122.820 -0.124 0.000 1.940 116 A HA -0.150 4.160 4.320 -0.016 0.000 0.219 116 A C 2.458 179.984 177.584 -0.097 0.000 1.176 116 A CA 1.954 53.923 52.037 -0.113 0.000 0.631 116 A CB -1.176 17.751 19.000 -0.122 0.000 0.814 116 A HN 0.611 nan 8.150 nan 0.000 0.446 117 A N -0.888 121.854 122.820 -0.131 0.000 1.877 117 A HA -0.181 4.129 4.320 -0.016 0.000 0.216 117 A C 2.309 179.770 177.584 -0.205 0.000 1.186 117 A CA 1.723 53.665 52.037 -0.160 0.000 0.620 117 A CB -1.304 17.592 19.000 -0.174 0.000 0.822 117 A HN 0.633 nan 8.150 nan 0.000 0.443 118 C N -0.576 118.541 119.300 -0.305 0.000 2.435 118 C HA -0.051 4.399 4.460 -0.016 0.000 0.279 118 C C 2.569 177.381 174.990 -0.298 0.000 1.321 118 C CA 0.984 59.668 59.018 -0.557 0.000 1.752 118 C CB -1.366 26.000 27.740 -0.624 0.000 1.959 118 C HN 0.668 nan 8.230 nan 0.000 0.500 119 E N -0.425 119.688 120.200 -0.145 0.000 2.110 119 E HA -0.216 4.124 4.350 -0.016 0.000 0.193 119 E C 2.104 178.677 176.600 -0.045 0.000 0.988 119 E CA 0.868 57.226 56.400 -0.070 0.000 0.804 119 E CB -0.310 29.354 29.700 -0.060 0.000 0.745 119 E HN 0.713 nan 8.360 nan 0.000 0.458 120 H N 1.078 120.075 119.070 -0.122 0.000 2.293 120 H HA -0.114 4.432 4.556 -0.016 0.000 0.300 120 H C 2.141 177.424 175.328 -0.075 0.000 1.082 120 H CA 1.608 57.598 56.048 -0.097 0.000 1.308 120 H CB -0.099 29.595 29.762 -0.112 0.000 1.375 120 H HN 0.125 nan 8.280 nan 0.000 0.495 121 I N 0.857 121.473 120.570 0.077 0.000 2.208 121 I HA -0.273 3.887 4.170 -0.016 0.000 0.245 121 I C 2.918 179.076 176.117 0.068 0.000 1.097 121 I CA 1.281 62.630 61.300 0.082 0.000 1.363 121 I CB -0.403 37.628 38.000 0.053 0.000 1.051 121 I HN 0.244 nan 8.210 nan 0.000 0.413 122 A N 0.232 123.073 122.820 0.035 0.000 2.066 122 A HA 0.149 4.460 4.320 -0.016 0.000 0.218 122 A C 2.108 179.690 177.584 -0.002 0.000 1.157 122 A CA 1.071 53.144 52.037 0.059 0.000 0.670 122 A CB -0.850 18.195 19.000 0.074 0.000 0.804 122 A HN 0.607 nan 8.150 nan 0.000 0.453 123 G N -1.393 107.369 108.800 -0.064 0.000 2.168 123 G HA2 -0.285 3.665 3.960 -0.016 0.000 0.263 123 G HA3 -0.285 3.665 3.960 -0.016 0.000 0.263 123 G C 0.238 175.099 174.900 -0.065 0.000 0.977 123 G CA 0.655 45.696 45.100 -0.098 0.000 0.659 123 G HN 0.705 nan 8.290 nan 0.000 0.533 124 R N -0.473 120.002 120.500 -0.042 0.000 2.604 124 R HA 0.517 4.847 4.340 -0.016 0.000 0.281 124 R C -0.343 175.942 176.300 -0.025 0.000 1.020 124 R CA -0.907 55.177 56.100 -0.027 0.000 0.899 124 R CB 1.676 31.971 30.300 -0.008 0.000 1.205 124 R HN 0.169 nan 8.270 nan 0.000 0.450 125 K N 1.352 121.736 120.400 -0.026 0.000 2.098 125 K HA 0.307 4.617 4.320 -0.016 0.000 0.258 125 K C -0.268 176.327 176.600 -0.008 0.000 0.973 125 K CA -0.827 55.445 56.287 -0.026 0.000 0.898 125 K CB 0.918 33.395 32.500 -0.037 0.000 1.057 125 K HN 0.293 nan 8.250 nan 0.000 0.447 126 N N 2.549 121.250 118.700 0.001 0.000 2.690 126 N HA 0.171 4.901 4.740 -0.016 0.000 0.255 126 N C -2.261 173.277 175.510 0.047 0.000 1.195 126 N CA -1.985 51.078 53.050 0.021 0.000 0.790 126 N CB 1.115 39.617 38.487 0.025 0.000 1.216 126 N HN 0.249 nan 8.380 nan 0.000 0.528 127 P HA -0.047 nan 4.420 nan 0.000 0.223 127 P C 0.809 178.186 177.300 0.130 0.000 1.151 127 P CA 0.898 64.054 63.100 0.093 0.000 0.787 127 P CB 0.831 32.563 31.700 0.053 0.000 0.788 128 E N -0.222 120.025 120.200 0.078 0.000 2.051 128 E HA -0.162 4.178 4.350 -0.016 0.000 0.192 128 E C 2.019 178.655 176.600 0.061 0.000 0.991 128 E CA 0.804 57.241 56.400 0.060 0.000 0.799 128 E CB -0.621 29.102 29.700 0.039 0.000 0.748 128 E HN 0.124 nan 8.360 nan 0.000 0.449 129 L N 0.645 121.908 121.223 0.066 0.000 2.042 129 L HA -0.229 4.101 4.340 -0.016 0.000 0.210 129 L C 2.345 179.262 176.870 0.078 0.000 1.076 129 L CA 1.676 56.551 54.840 0.058 0.000 0.749 129 L CB -0.689 41.398 42.059 0.046 0.000 0.893 129 L HN 0.137 nan 8.230 nan 0.000 0.432 130 Y N 0.826 121.120 120.300 -0.010 0.000 2.114 130 Y HA -0.281 4.259 4.550 -0.017 0.000 0.282 130 Y C 2.409 178.311 175.900 0.003 0.000 1.165 130 Y CA 2.324 60.415 58.100 -0.014 0.000 1.148 130 Y CB -0.290 38.156 38.460 -0.024 0.000 0.972 130 Y HN 0.355 nan 8.280 nan 0.000 0.504 131 E N 0.050 120.182 120.200 -0.113 0.000 2.204 131 E HA -0.221 4.119 4.350 -0.016 0.000 0.194 131 E C 2.073 178.595 176.600 -0.130 0.000 0.989 131 E CA 1.374 57.666 56.400 -0.179 0.000 0.824 131 E CB -0.301 29.379 29.700 -0.034 0.000 0.756 131 E HN 0.712 nan 8.360 nan 0.000 0.477 132 Q N 0.262 120.023 119.800 -0.065 0.000 2.123 132 Q HA -0.033 4.297 4.340 -0.016 0.000 0.199 132 Q C 2.352 178.338 176.000 -0.022 0.000 0.966 132 Q CA 0.720 56.503 55.803 -0.034 0.000 0.845 132 Q CB -0.053 28.685 28.738 0.000 0.000 0.907 132 Q HN 0.285 nan 8.270 nan 0.000 0.439 133 I N 0.541 121.089 120.570 -0.037 0.000 2.179 133 I HA -0.310 3.850 4.170 -0.016 0.000 0.242 133 I C 2.090 178.224 176.117 0.028 0.000 1.088 133 I CA 1.203 62.506 61.300 0.006 0.000 1.357 133 I CB -0.265 37.724 38.000 -0.018 0.000 1.051 133 I HN 0.215 nan 8.210 nan 0.000 0.409 134 L N -0.087 121.080 121.223 -0.092 0.000 2.056 134 L HA -0.206 4.124 4.340 -0.016 0.000 0.207 134 L C 2.699 179.569 176.870 0.000 0.000 1.078 134 L CA 1.177 56.004 54.840 -0.021 0.000 0.749 134 L CB -0.748 41.200 42.059 -0.185 0.000 0.901 134 L HN 0.378 nan 8.230 nan 0.000 0.433 135 Q N -0.137 119.641 119.800 -0.037 0.000 2.124 135 Q HA -0.213 4.118 4.340 -0.016 0.000 0.202 135 Q C 2.342 178.338 176.000 -0.006 0.000 0.977 135 Q CA 2.031 57.818 55.803 -0.026 0.000 0.850 135 Q CB -0.037 28.674 28.738 -0.044 0.000 0.901 135 Q HN 0.371 nan 8.270 nan 0.000 0.429 136 S N 0.105 115.812 115.700 0.012 0.000 2.356 136 S HA -0.175 4.285 4.470 -0.016 0.000 0.223 136 S C 1.844 176.474 174.600 0.050 0.000 1.032 136 S CA 1.489 59.710 58.200 0.036 0.000 1.005 136 S CB -0.209 63.030 63.200 0.064 0.000 0.867 136 S HN 0.442 nan 8.310 nan 0.000 0.449 137 Q N 0.963 120.795 119.800 0.054 0.000 2.096 137 Q HA -0.144 4.187 4.340 -0.016 0.000 0.204 137 Q C 2.230 178.202 176.000 -0.046 0.000 0.982 137 Q CA 1.478 57.271 55.803 -0.017 0.000 0.850 137 Q CB -0.304 28.374 28.738 -0.101 0.000 0.901 137 Q HN 0.570 nan 8.270 nan 0.000 0.422 138 R N -0.066 120.421 120.500 -0.021 0.000 2.081 138 R HA -0.144 4.186 4.340 -0.016 0.000 0.235 138 R C 2.452 178.760 176.300 0.014 0.000 1.131 138 R CA 1.192 57.282 56.100 -0.016 0.000 0.960 138 R CB -0.383 29.914 30.300 -0.005 0.000 0.856 138 R HN 0.214 nan 8.270 nan 0.000 0.436 139 L N 0.785 122.027 121.223 0.031 0.000 2.056 139 L HA -0.121 4.210 4.340 -0.016 0.000 0.207 139 L C 2.075 178.999 176.870 0.090 0.000 1.078 139 L CA 1.525 56.410 54.840 0.074 0.000 0.749 139 L CB -0.357 41.743 42.059 0.067 0.000 0.901 139 L HN -0.106 nan 8.230 nan 0.000 0.433 140 V N -1.131 118.819 119.914 0.062 0.000 2.332 140 V HA -0.286 3.824 4.120 -0.016 0.000 0.248 140 V C 2.772 178.873 176.094 0.012 0.000 1.055 140 V CA 1.794 64.128 62.300 0.056 0.000 1.038 140 V CB -0.835 31.067 31.823 0.131 0.000 0.651 140 V HN 0.617 nan 8.190 nan 0.000 0.450 141 S N -0.215 115.481 115.700 -0.007 0.000 2.370 141 S HA -0.227 4.233 4.470 -0.016 0.000 0.226 141 S C 2.134 176.723 174.600 -0.018 0.000 1.033 141 S CA 1.754 59.931 58.200 -0.038 0.000 1.011 141 S CB -0.336 62.831 63.200 -0.056 0.000 0.852 141 S HN 0.638 nan 8.310 nan 0.000 0.457 142 A N 1.137 123.989 122.820 0.054 0.000 1.898 142 A HA 0.037 4.347 4.320 -0.016 0.000 0.216 142 A C 2.106 179.748 177.584 0.096 0.000 1.181 142 A CA 1.366 53.496 52.037 0.155 0.000 0.620 142 A CB -0.713 18.454 19.000 0.278 0.000 0.819 142 A HN 0.616 nan 8.150 nan 0.000 0.442 143 I N -0.426 120.134 120.570 -0.016 0.000 2.127 143 I HA -0.239 3.921 4.170 -0.016 0.000 0.241 143 I C 2.361 178.230 176.117 -0.412 0.000 1.075 143 I CA 1.366 62.480 61.300 -0.310 0.000 1.334 143 I CB -0.373 37.531 38.000 -0.160 0.000 1.040 143 I HN 0.158 nan 8.210 nan 0.000 0.405 144 V N -0.080 119.641 119.914 -0.322 0.000 2.343 144 V HA -0.299 3.811 4.120 -0.016 0.000 0.247 144 V C 2.601 178.512 176.094 -0.304 0.000 1.051 144 V CA 2.204 64.278 62.300 -0.378 0.000 1.036 144 V CB -0.606 31.085 31.823 -0.220 0.000 0.654 144 V HN 0.488 nan 8.190 nan 0.000 0.451 145 S N -0.584 115.001 115.700 -0.192 0.000 2.382 145 S HA -0.295 4.166 4.470 -0.016 0.000 0.228 145 S C 2.090 176.707 174.600 0.027 0.000 1.027 145 S CA 2.069 60.220 58.200 -0.081 0.000 0.991 145 S CB -0.423 62.771 63.200 -0.009 0.000 0.823 145 S HN 0.828 nan 8.310 nan 0.000 0.469 146 H N 1.193 120.152 119.070 -0.186 0.000 2.428 146 H HA 0.232 4.779 4.556 -0.016 0.000 0.296 146 H C 1.138 176.296 175.328 -0.284 0.000 1.062 146 H CA 1.607 57.518 56.048 -0.228 0.000 1.350 146 H CB -0.059 29.411 29.762 -0.486 0.000 1.403 146 H HN 0.367 nan 8.280 nan 0.000 0.533 147 N N -0.047 118.364 118.700 -0.481 0.000 2.328 147 N HA 0.094 4.824 4.740 -0.016 0.000 0.247 147 N C 0.650 175.900 175.510 -0.433 0.000 1.165 147 N CA 0.506 53.192 53.050 -0.607 0.000 0.873 147 N CB 0.979 38.816 38.487 -1.084 0.000 1.125 147 N HN 0.363 nan 8.380 nan 0.000 0.513 148 G N 0.365 109.025 108.800 -0.234 0.000 3.379 148 G HA2 -0.052 3.898 3.960 -0.016 0.000 0.253 148 G HA3 -0.052 3.898 3.960 -0.016 0.000 0.253 148 G C 1.469 176.317 174.900 -0.086 0.000 1.262 148 G CA -0.034 45.017 45.100 -0.081 0.000 0.959 148 G HN 0.117 nan 8.290 nan 0.000 0.524 149 R N -0.553 119.864 120.500 -0.137 0.000 2.164 149 R HA 0.190 4.521 4.340 -0.016 0.000 0.198 149 R C 1.349 177.610 176.300 -0.065 0.000 1.028 149 R CA 0.422 56.456 56.100 -0.111 0.000 1.083 149 R CB -0.029 30.186 30.300 -0.142 0.000 1.026 149 R HN 0.287 nan 8.270 nan 0.000 0.514 150 Q N 0.760 120.529 119.800 -0.053 0.000 2.237 150 Q HA 0.228 4.558 4.340 -0.016 0.000 0.219 150 Q C -0.440 175.570 176.000 0.017 0.000 0.999 150 Q CA -0.675 55.127 55.803 -0.001 0.000 0.959 150 Q CB 0.599 29.359 28.738 0.037 0.000 1.173 150 Q HN 0.114 nan 8.270 nan 0.000 0.527 151 R N -0.081 120.442 120.500 0.039 0.000 2.640 151 R HA 0.015 4.345 4.340 -0.016 0.000 0.270 151 R C 1.189 177.535 176.300 0.077 0.000 1.024 151 R CA 0.369 56.497 56.100 0.048 0.000 1.085 151 R CB 0.275 30.606 30.300 0.051 0.000 0.963 151 R HN 0.785 nan 8.270 nan 0.000 0.426 152 A N 2.682 125.547 122.820 0.075 0.000 2.024 152 A HA -0.199 4.111 4.320 -0.016 0.000 0.220 152 A C 1.145 178.819 177.584 0.149 0.000 1.164 152 A CA 1.957 54.063 52.037 0.115 0.000 0.643 152 A CB -0.290 18.768 19.000 0.096 0.000 0.806 152 A HN 0.860 nan 8.150 nan 0.000 0.451 153 D N -1.254 119.213 120.400 0.112 0.000 2.368 153 D HA 0.410 5.040 4.640 -0.016 0.000 0.218 153 D C 1.275 177.639 176.300 0.106 0.000 1.112 153 D CA 0.586 54.648 54.000 0.103 0.000 0.834 153 D CB -0.352 40.512 40.800 0.107 0.000 0.953 153 D HN 0.254 nan 8.370 nan 0.000 0.505 154 A N 1.584 124.477 122.820 0.122 0.000 1.948 154 A HA -0.091 4.219 4.320 -0.016 0.000 0.220 154 A C -0.087 177.560 177.584 0.105 0.000 1.177 154 A CA 1.077 53.190 52.037 0.127 0.000 0.636 154 A CB -1.489 17.595 19.000 0.141 0.000 0.815 154 A HN 0.260 nan 8.150 nan 0.000 0.449 155 P HA -0.125 nan 4.420 nan 0.000 0.220 155 P C 0.876 178.120 177.300 -0.093 0.000 1.144 155 P CA 0.849 63.905 63.100 -0.074 0.000 0.800 155 P CB -0.103 31.447 31.700 -0.250 0.000 0.772 156 L N -1.301 119.886 121.223 -0.060 0.000 2.611 156 L HA 0.070 4.400 4.340 -0.016 0.000 0.229 156 L C 1.720 178.617 176.870 0.044 0.000 1.137 156 L CA 0.417 55.182 54.840 -0.125 0.000 0.901 156 L CB -0.376 41.498 42.059 -0.308 0.000 1.098 156 L HN -0.022 nan 8.230 nan 0.000 0.456 157 Q N -0.761 119.072 119.800 0.055 0.000 2.402 157 Q HA 0.170 4.500 4.340 -0.016 0.000 0.206 157 Q C -0.183 175.576 176.000 -0.401 0.000 0.919 157 Q CA 0.656 56.417 55.803 -0.069 0.000 0.923 157 Q CB 0.533 29.217 28.738 -0.090 0.000 1.048 157 Q HN 0.512 nan 8.270 nan 0.000 0.515 158 H N -2.420 116.721 119.070 0.119 0.000 3.038 158 H HA 0.113 4.659 4.556 -0.016 0.000 0.362 158 H C -0.341 175.022 175.328 0.058 0.000 1.167 158 H CA -0.683 55.431 56.048 0.111 0.000 1.197 158 H CB 1.003 30.812 29.762 0.078 0.000 1.840 158 H HN -0.115 nan 8.280 nan 0.000 0.540 159 Y N 1.766 122.129 120.300 0.106 0.000 2.040 159 Y HA -0.332 4.209 4.550 -0.016 0.000 0.275 159 Y C 1.993 177.804 175.900 -0.148 0.000 1.171 159 Y CA 2.194 60.286 58.100 -0.015 0.000 1.123 159 Y CB -0.026 38.413 38.460 -0.036 0.000 0.963 159 Y HN 0.616 nan 8.280 nan 0.000 0.493 160 L N 0.980 121.903 121.223 -0.499 0.000 2.042 160 L HA -0.264 4.067 4.340 -0.016 0.000 0.210 160 L C 2.266 178.926 176.870 -0.351 0.000 1.076 160 L CA 2.015 56.503 54.840 -0.587 0.000 0.749 160 L CB -0.951 40.926 42.059 -0.303 0.000 0.893 160 L HN 0.401 nan 8.230 nan 0.000 0.432 161 Q N -0.839 118.862 119.800 -0.165 0.000 2.181 161 Q HA -0.211 4.120 4.340 -0.016 0.000 0.205 161 Q C 2.295 178.155 176.000 -0.233 0.000 0.980 161 Q CA 1.870 57.605 55.803 -0.114 0.000 0.862 161 Q CB -0.333 28.428 28.738 0.038 0.000 0.905 161 Q HN 0.791 nan 8.270 nan 0.000 0.429 162 S N 0.298 115.834 115.700 -0.273 0.000 2.406 162 S HA -0.111 4.350 4.470 -0.016 0.000 0.228 162 S C 1.698 176.064 174.600 -0.390 0.000 1.020 162 S CA 0.676 58.686 58.200 -0.317 0.000 0.965 162 S CB 0.041 63.103 63.200 -0.230 0.000 0.798 162 S HN 0.226 nan 8.310 nan 0.000 0.488 163 E N 1.361 121.274 120.200 -0.478 0.000 2.158 163 E HA -0.015 4.326 4.350 -0.016 0.000 0.191 163 E C 2.221 178.636 176.600 -0.309 0.000 0.982 163 E CA 0.844 57.009 56.400 -0.393 0.000 0.823 163 E CB -0.286 29.142 29.700 -0.453 0.000 0.766 163 E HN 0.739 nan 8.360 nan 0.000 0.468 164 Q N -0.511 119.105 119.800 -0.306 0.000 2.245 164 Q HA 0.021 4.351 4.340 -0.016 0.000 0.201 164 Q C 1.570 177.285 176.000 -0.475 0.000 0.955 164 Q CA 0.982 56.641 55.803 -0.241 0.000 0.870 164 Q CB 0.247 28.916 28.738 -0.115 0.000 0.945 164 Q HN 0.126 nan 8.270 nan 0.000 0.461 165 G N 0.243 108.581 108.800 -0.770 0.000 3.448 165 G HA2 0.140 4.091 3.960 -0.016 0.000 0.261 165 G HA3 0.140 4.091 3.960 -0.016 0.000 0.261 165 G C -0.053 173.929 174.900 -1.530 0.000 1.173 165 G CA -0.281 43.795 45.100 -1.706 0.000 0.835 165 G HN 0.103 nan 8.290 nan 0.000 0.534 166 L N 0.964 121.697 121.223 -0.817 0.000 2.480 166 L HA 0.392 4.722 4.340 -0.016 0.000 0.243 166 L C 1.142 177.792 176.870 -0.368 0.000 1.315 166 L CA -0.922 53.620 54.840 -0.497 0.000 1.231 166 L CB -0.721 41.179 42.059 -0.265 0.000 1.444 166 L HN 0.418 nan 8.230 nan 0.000 0.409 167 W N 1.054 122.151 121.300 -0.338 0.000 2.321 167 W HA -0.263 4.385 4.660 -0.019 0.000 0.306 167 W C 1.308 177.457 176.519 -0.618 0.000 1.217 167 W CA 0.560 57.526 57.345 -0.631 0.000 1.257 167 W CB -0.407 28.383 29.460 -1.117 0.000 1.145 167 W HN 0.398 nan 8.180 nan 0.000 0.509 168 F N -0.497 119.565 119.950 0.186 0.000 2.731 168 F HA 0.409 4.929 4.527 -0.013 0.000 0.298 168 F C 1.746 177.601 175.800 0.092 0.000 1.106 168 F CA 0.440 58.519 58.000 0.131 0.000 1.329 168 F CB -0.762 38.317 39.000 0.133 0.000 1.100 168 F HN -0.032 nan 8.300 nan 0.000 0.592 169 G N -0.056 108.843 108.800 0.165 0.000 2.642 169 G HA2 -0.291 3.659 3.960 -0.016 0.000 0.231 169 G HA3 -0.291 3.659 3.960 -0.016 0.000 0.231 169 G C -0.376 174.617 174.900 0.155 0.000 1.338 169 G CA -0.435 44.728 45.100 0.105 0.000 0.883 169 G HN 0.419 nan 8.290 nan 0.000 0.570 170 H N 2.657 121.739 119.070 0.021 0.000 3.231 170 H HA 0.084 4.630 4.556 -0.017 0.000 0.280 170 H C -0.659 174.738 175.328 0.115 0.000 0.901 170 H CA 0.012 56.086 56.048 0.042 0.000 1.414 170 H CB 0.966 30.734 29.762 0.010 0.000 1.433 170 H HN 0.282 nan 8.280 nan 0.000 0.549 171 P HA 0.013 nan 4.420 nan 0.000 0.241 171 P C 0.004 177.487 177.300 0.304 0.000 1.191 171 P CA 0.399 63.668 63.100 0.281 0.000 0.771 171 P CB 0.659 32.467 31.700 0.179 0.000 0.929 172 S N -0.641 115.320 115.700 0.435 0.000 2.668 172 S HA 0.170 4.630 4.470 -0.016 0.000 0.244 172 S C -0.376 174.232 174.600 0.013 0.000 1.140 172 S CA -0.377 57.961 58.200 0.229 0.000 1.134 172 S CB -0.279 63.069 63.200 0.246 0.000 0.954 172 S HN 0.213 nan 8.310 nan 0.000 0.490 173 H N 2.134 121.145 119.070 -0.097 0.000 2.600 173 H HA 0.333 4.878 4.556 -0.017 0.000 0.357 173 H C -2.478 172.825 175.328 -0.041 0.000 1.106 173 H CA -1.765 54.160 56.048 -0.205 0.000 1.193 173 H CB 2.608 32.163 29.762 -0.346 0.000 1.594 173 H HN -0.034 nan 8.280 nan 0.000 0.526 174 P HA 0.032 nan 4.420 nan 0.000 0.223 174 P C -0.021 177.350 177.300 0.118 0.000 1.151 174 P CA 0.609 63.686 63.100 -0.037 0.000 0.787 174 P CB 0.643 32.274 31.700 -0.116 0.000 0.788 175 A N 0.183 123.196 122.820 0.322 0.000 3.410 175 A HA 0.396 4.706 4.320 -0.016 0.000 0.276 175 A C -1.870 175.839 177.584 0.209 0.000 0.995 175 A CA -0.845 51.339 52.037 0.246 0.000 0.934 175 A CB 0.255 19.349 19.000 0.158 0.000 1.191 175 A HN -0.031 nan 8.150 nan 0.000 0.511 176 P HA -0.109 nan 4.420 nan 0.000 0.225 176 P C 0.623 177.896 177.300 -0.045 0.000 1.148 176 P CA 1.214 64.301 63.100 -0.022 0.000 0.779 176 P CB 0.349 32.115 31.700 0.109 0.000 0.780 177 K N -0.914 119.490 120.400 0.006 0.000 2.374 177 K HA 0.275 4.586 4.320 -0.016 0.000 0.202 177 K C 0.809 177.372 176.600 -0.061 0.000 1.040 177 K CA -0.290 55.991 56.287 -0.010 0.000 1.085 177 K CB 0.445 32.969 32.500 0.039 0.000 0.873 177 K HN -0.003 nan 8.250 nan 0.000 0.539 178 A N 2.154 124.933 122.820 -0.069 0.000 2.484 178 A HA 0.217 4.527 4.320 -0.016 0.000 0.268 178 A C -0.320 177.143 177.584 -0.202 0.000 1.114 178 A CA 0.120 52.087 52.037 -0.117 0.000 0.780 178 A CB -0.148 18.815 19.000 -0.062 0.000 1.061 178 A HN 0.155 nan 8.150 nan 0.000 0.505 179 R N 2.745 123.030 120.500 -0.359 0.000 2.422 179 R HA 0.349 4.680 4.340 -0.016 0.000 0.307 179 R C -0.835 175.004 176.300 -0.769 0.000 1.004 179 R CA -0.321 55.428 56.100 -0.586 0.000 0.882 179 R CB 1.374 31.149 30.300 -0.873 0.000 1.164 179 R HN 0.690 nan 8.270 nan 0.000 0.489 180 L N 4.178 125.150 121.223 -0.418 0.000 2.796 180 L HA 0.268 4.598 4.340 -0.016 0.000 0.235 180 L C -0.586 176.217 176.870 -0.111 0.000 1.344 180 L CA -0.435 54.253 54.840 -0.254 0.000 1.245 180 L CB -0.714 41.282 42.059 -0.105 0.000 1.556 180 L HN 0.518 nan 8.230 nan 0.000 0.423 181 W N 0.280 121.566 121.300 -0.023 0.000 2.576 181 W HA 0.658 5.308 4.660 -0.016 0.000 0.360 181 W C -2.568 173.945 176.519 -0.010 0.000 1.109 181 W CA -3.619 53.702 57.345 -0.039 0.000 1.237 181 W CB -1.042 28.355 29.460 -0.106 0.000 1.369 181 W HN -0.130 nan 8.180 nan 0.000 0.609 182 P HA 0.061 nan 4.420 nan 0.000 0.261 182 P C 0.775 178.239 177.300 0.274 0.000 1.173 182 P CA 0.881 64.139 63.100 0.263 0.000 0.760 182 P CB 0.657 32.517 31.700 0.266 0.000 0.783 183 A N 4.053 127.012 122.820 0.232 0.000 1.972 183 A HA -0.228 4.082 4.320 -0.016 0.000 0.219 183 A C 1.877 179.586 177.584 0.208 0.000 1.169 183 A CA 1.615 53.771 52.037 0.199 0.000 0.635 183 A CB -1.373 17.712 19.000 0.140 0.000 0.810 183 A HN 0.808 nan 8.150 nan 0.000 0.446 184 H N -0.446 118.723 119.070 0.166 0.000 2.543 184 H HA 0.044 4.591 4.556 -0.016 0.000 0.286 184 H C 1.438 176.873 175.328 0.178 0.000 1.037 184 H CA 1.278 57.410 56.048 0.141 0.000 1.250 184 H CB -0.491 29.336 29.762 0.107 0.000 1.373 184 H HN 0.472 nan 8.280 nan 0.000 0.580 185 L N 0.397 121.477 121.223 -0.238 0.000 2.492 185 L HA 0.190 4.520 4.340 -0.016 0.000 0.223 185 L C 1.112 178.156 176.870 0.291 0.000 1.132 185 L CA 0.440 55.238 54.840 -0.069 0.000 0.850 185 L CB -0.139 41.796 42.059 -0.207 0.000 0.966 185 L HN 0.583 nan 8.230 nan 0.000 0.454 186 G N -0.309 108.667 108.800 0.293 0.000 2.781 186 G HA2 -0.196 3.754 3.960 -0.016 0.000 0.683 186 G HA3 -0.196 3.754 3.960 -0.016 0.000 0.683 186 G C -0.063 175.133 174.900 0.494 0.000 1.390 186 G CA -0.438 44.816 45.100 0.258 0.000 0.850 186 G HN 0.037 nan 8.290 nan 0.000 0.557 187 Q N -0.301 119.651 119.800 0.252 0.000 2.548 187 Q HA 0.117 4.448 4.340 -0.016 0.000 0.230 187 Q C 2.520 178.574 176.000 0.090 0.000 0.899 187 Q CA 1.230 57.226 55.803 0.322 0.000 0.936 187 Q CB 0.071 28.880 28.738 0.119 0.000 1.114 187 Q HN 0.831 nan 8.270 nan 0.000 0.606 188 E N 1.055 121.098 120.200 -0.261 0.000 2.150 188 E HA -0.188 4.152 4.350 -0.016 0.000 0.193 188 E C 1.752 178.109 176.600 -0.406 0.000 0.985 188 E CA 0.788 56.841 56.400 -0.579 0.000 0.814 188 E CB 0.123 29.159 29.700 -1.106 0.000 0.752 188 E HN 0.194 nan 8.360 nan 0.000 0.466 189 Q N -0.789 118.687 119.800 -0.540 0.000 2.291 189 Q HA -0.146 4.184 4.340 -0.016 0.000 0.206 189 Q C 0.700 176.191 176.000 -0.848 0.000 0.976 189 Q CA 1.230 56.520 55.803 -0.854 0.000 0.875 189 Q CB -0.154 27.796 28.738 -1.314 0.000 0.927 189 Q HN 0.501 nan 8.270 nan 0.000 0.450 190 W N -1.152 120.198 121.300 0.083 0.000 2.870 190 W HA 0.554 5.204 4.660 -0.017 0.000 0.358 190 W C -0.033 176.561 176.519 0.124 0.000 1.043 190 W CA -0.451 56.958 57.345 0.107 0.000 1.692 190 W CB 0.653 30.180 29.460 0.111 0.000 1.100 190 W HN -0.177 nan 8.180 nan 0.000 0.557 191 A N 2.608 125.582 122.820 0.256 0.000 2.252 191 A HA 0.364 4.675 4.320 -0.016 0.000 0.309 191 A C -1.309 176.398 177.584 0.206 0.000 1.285 191 A CA -1.388 50.808 52.037 0.266 0.000 0.900 191 A CB 0.656 19.858 19.000 0.337 0.000 1.157 191 A HN -0.102 nan 8.150 nan 0.000 0.536 192 P HA -0.175 nan 4.420 nan 0.000 0.219 192 P C 0.587 177.954 177.300 0.112 0.000 1.146 192 P CA 1.281 64.421 63.100 0.067 0.000 0.808 192 P CB 0.285 31.975 31.700 -0.016 0.000 0.779 193 E N -1.330 118.969 120.200 0.164 0.000 2.409 193 E HA -0.075 4.265 4.350 -0.016 0.000 0.198 193 E C 0.849 177.477 176.600 0.047 0.000 1.024 193 E CA 0.796 57.318 56.400 0.203 0.000 0.861 193 E CB -0.773 29.047 29.700 0.201 0.000 0.788 193 E HN 0.349 nan 8.360 nan 0.000 0.521 194 F N 0.165 120.152 119.950 0.062 0.000 2.647 194 F HA 0.176 4.694 4.527 -0.015 0.000 0.300 194 F C -0.053 175.762 175.800 0.025 0.000 1.106 194 F CA -0.447 57.505 58.000 -0.080 0.000 1.313 194 F CB 0.174 39.021 39.000 -0.256 0.000 1.007 194 F HN -0.261 nan 8.300 nan 0.000 0.536 195 Q N -0.225 119.693 119.800 0.195 0.000 2.453 195 Q HA -0.210 4.121 4.340 -0.016 0.000 0.294 195 Q C 0.358 176.434 176.000 0.126 0.000 1.295 195 Q CA 0.722 56.614 55.803 0.148 0.000 0.853 195 Q CB -1.979 26.852 28.738 0.155 0.000 1.193 195 Q HN 0.409 nan 8.270 nan 0.000 0.461 196 A N 0.766 123.657 122.820 0.118 0.000 2.531 196 A HA 0.437 4.747 4.320 -0.016 0.000 0.236 196 A C 0.412 178.064 177.584 0.112 0.000 1.062 196 A CA 0.400 52.484 52.037 0.078 0.000 0.760 196 A CB 0.436 19.471 19.000 0.059 0.000 0.995 196 A HN 0.358 nan 8.150 nan 0.000 0.501 197 R N 0.459 121.026 120.500 0.112 0.000 2.771 197 R HA 0.775 5.105 4.340 -0.016 0.000 0.274 197 R C -0.916 175.499 176.300 0.191 0.000 0.987 197 R CA -0.343 55.867 56.100 0.183 0.000 0.908 197 R CB 2.494 32.863 30.300 0.115 0.000 1.213 197 R HN 1.101 nan 8.270 nan 0.000 0.468 198 A N 0.822 123.811 122.820 0.283 0.000 2.594 198 A HA 0.688 4.998 4.320 -0.016 0.000 0.296 198 A C -1.404 176.200 177.584 0.034 0.000 1.061 198 A CA -0.671 51.474 52.037 0.180 0.000 0.689 198 A CB 1.640 20.862 19.000 0.371 0.000 1.280 198 A HN 0.780 nan 8.150 nan 0.000 0.406 199 A N 1.641 124.441 122.820 -0.033 0.000 2.454 199 A HA 0.548 4.859 4.320 -0.016 0.000 0.260 199 A C 0.343 177.800 177.584 -0.211 0.000 1.106 199 A CA -0.092 51.869 52.037 -0.126 0.000 0.780 199 A CB -0.446 18.488 19.000 -0.110 0.000 1.044 199 A HN 0.925 nan 8.150 nan 0.000 0.498 200 L N 1.761 122.776 121.223 -0.347 0.000 2.499 200 L HA 0.031 4.361 4.340 -0.016 0.000 0.281 200 L C 0.862 177.588 176.870 -0.239 0.000 1.234 200 L CA 0.041 54.629 54.840 -0.421 0.000 0.839 200 L CB 0.191 41.972 42.059 -0.463 0.000 1.104 200 L HN 0.848 nan 8.230 nan 0.000 0.500 201 H N 1.634 120.552 119.070 -0.253 0.000 2.582 201 H HA 0.239 4.785 4.556 -0.016 0.000 0.345 201 H C -0.716 174.472 175.328 -0.233 0.000 1.104 201 H CA -0.061 55.856 56.048 -0.218 0.000 1.390 201 H CB 0.739 30.405 29.762 -0.161 0.000 1.461 201 H HN 0.472 nan 8.280 nan 0.000 0.551 202 Q N 3.335 122.967 119.800 -0.279 0.000 2.394 202 Q HA 0.339 4.670 4.340 -0.016 0.000 0.273 202 Q C -1.384 174.402 176.000 -0.358 0.000 1.089 202 Q CA -0.792 54.895 55.803 -0.194 0.000 0.812 202 Q CB 2.564 31.196 28.738 -0.176 0.000 1.353 202 Q HN 0.485 nan 8.270 nan 0.000 0.438 203 F N 0.418 120.369 119.950 0.002 0.000 2.532 203 F HA 0.300 4.818 4.527 -0.016 0.000 0.321 203 F C 0.128 175.875 175.800 -0.089 0.000 1.089 203 F CA -0.795 57.193 58.000 -0.020 0.000 0.926 203 F CB 1.957 40.944 39.000 -0.022 0.000 1.168 203 F HN 0.440 nan 8.300 nan 0.000 0.459 204 E N 2.859 123.105 120.200 0.077 0.000 2.174 204 E HA 0.578 4.918 4.350 -0.016 0.000 0.282 204 E C -1.435 175.139 176.600 -0.043 0.000 0.992 204 E CA -0.618 55.784 56.400 0.004 0.000 0.803 204 E CB 1.320 31.000 29.700 -0.034 0.000 1.090 204 E HN 0.530 nan 8.360 nan 0.000 0.396 205 V N 1.748 121.598 119.914 -0.106 0.000 2.962 205 V HA 0.698 4.808 4.120 -0.016 0.000 0.313 205 V C -2.732 173.327 176.094 -0.058 0.000 1.099 205 V CA -2.646 59.439 62.300 -0.358 0.000 0.971 205 V CB 1.599 32.759 31.823 -1.106 0.000 1.028 205 V HN 0.591 nan 8.190 nan 0.000 0.430 206 P HA 0.205 nan 4.420 nan 0.000 0.279 206 P C 1.088 178.424 177.300 0.060 0.000 1.239 206 P CA 0.167 63.157 63.100 -0.183 0.000 0.789 206 P CB 1.631 33.280 31.700 -0.085 0.000 0.933 207 V N 0.332 120.205 119.914 -0.069 0.000 2.594 207 V HA -0.220 3.891 4.120 -0.016 0.000 0.253 207 V C 1.591 177.695 176.094 0.017 0.000 1.069 207 V CA 2.244 64.552 62.300 0.013 0.000 1.082 207 V CB -1.655 30.155 31.823 -0.022 0.000 0.680 207 V HN 0.496 nan 8.190 nan 0.000 0.469 208 D N 1.723 122.118 120.400 -0.008 0.000 2.310 208 D HA 0.002 4.633 4.640 -0.016 0.000 0.212 208 D C 1.859 178.073 176.300 -0.142 0.000 0.965 208 D CA 1.348 55.310 54.000 -0.063 0.000 0.879 208 D CB -0.558 40.204 40.800 -0.062 0.000 0.921 208 D HN 0.549 nan 8.370 nan 0.000 0.510 209 G N -0.166 108.571 108.800 -0.104 0.000 3.088 209 G HA2 0.236 4.187 3.960 -0.016 0.000 0.217 209 G HA3 0.236 4.187 3.960 -0.016 0.000 0.217 209 G C 0.529 175.140 174.900 -0.481 0.000 1.159 209 G CA -0.447 44.328 45.100 -0.542 0.000 0.760 209 G HN 0.207 nan 8.290 nan 0.000 0.550 210 L N 1.429 122.585 121.223 -0.111 0.000 2.426 210 L HA 0.297 4.627 4.340 -0.016 0.000 0.271 210 L C -0.064 176.616 176.870 -0.317 0.000 1.169 210 L CA -0.263 54.563 54.840 -0.023 0.000 0.836 210 L CB 0.683 42.788 42.059 0.076 0.000 1.112 210 L HN 0.176 nan 8.230 nan 0.000 0.465 211 H N 5.028 124.114 119.070 0.028 0.000 2.887 211 H HA 0.432 4.979 4.556 -0.016 0.000 0.300 211 H C -0.671 174.685 175.328 0.047 0.000 1.038 211 H CA -0.385 55.679 56.048 0.026 0.000 1.352 211 H CB 1.275 31.050 29.762 0.021 0.000 1.473 211 H HN 0.405 nan 8.280 nan 0.000 0.503 212 I N 1.977 122.619 120.570 0.120 0.000 2.404 212 I HA 0.344 4.504 4.170 -0.016 0.000 0.293 212 I C 0.725 176.907 176.117 0.109 0.000 0.992 212 I CA -0.697 60.668 61.300 0.109 0.000 1.149 212 I CB 2.083 40.133 38.000 0.082 0.000 1.315 212 I HN 0.507 nan 8.210 nan 0.000 0.446 213 G N 4.431 113.299 108.800 0.114 0.000 2.415 213 G HA2 0.787 4.737 3.960 -0.016 0.000 0.327 213 G HA3 0.787 4.737 3.960 -0.016 0.000 0.327 213 G C -1.206 173.748 174.900 0.091 0.000 1.182 213 G CA -0.484 44.678 45.100 0.104 0.000 0.924 213 G HN 0.780 nan 8.290 nan 0.000 0.470 214 A N 2.570 125.437 122.820 0.078 0.000 2.488 214 A HA 0.712 5.022 4.320 -0.016 0.000 0.295 214 A C -1.096 176.526 177.584 0.064 0.000 1.045 214 A CA -0.883 51.192 52.037 0.064 0.000 0.703 214 A CB 1.526 20.559 19.000 0.054 0.000 1.271 214 A HN 0.514 nan 8.150 nan 0.000 0.400 215 N N 1.170 119.909 118.700 0.066 0.000 2.524 215 N HA 0.499 5.230 4.740 -0.016 0.000 0.261 215 N C 0.622 176.171 175.510 0.066 0.000 0.998 215 N CA 0.609 53.700 53.050 0.069 0.000 0.915 215 N CB 1.726 40.263 38.487 0.084 0.000 1.187 215 N HN 1.729 nan 8.380 nan 0.000 0.507 216 G N 1.310 110.144 108.800 0.057 0.000 2.153 216 G HA2 -0.243 3.707 3.960 -0.016 0.000 0.252 216 G HA3 -0.243 3.707 3.960 -0.016 0.000 0.252 216 G C -0.305 174.628 174.900 0.054 0.000 0.994 216 G CA 0.240 45.373 45.100 0.054 0.000 0.698 216 G HN 0.456 nan 8.290 nan 0.000 0.521 217 L N 0.034 121.287 121.223 0.050 0.000 2.393 217 L HA 0.688 5.019 4.340 -0.016 0.000 0.260 217 L C 0.893 177.787 176.870 0.040 0.000 1.002 217 L CA -0.671 54.195 54.840 0.045 0.000 0.818 217 L CB 2.220 44.297 42.059 0.032 0.000 1.369 217 L HN 0.293 nan 8.230 nan 0.000 0.412 218 T N -2.636 111.941 114.554 0.038 0.000 2.882 218 T HA 0.267 4.608 4.350 -0.016 0.000 0.287 218 T C -2.034 172.690 174.700 0.040 0.000 1.014 218 T CA -1.573 60.549 62.100 0.037 0.000 1.049 218 T CB 1.312 70.201 68.868 0.035 0.000 1.001 218 T HN 0.317 nan 8.240 nan 0.000 0.525 219 P HA -0.157 nan 4.420 nan 0.000 0.216 219 P C 1.678 179.011 177.300 0.055 0.000 1.154 219 P CA 1.079 64.210 63.100 0.051 0.000 0.865 219 P CB 0.071 31.798 31.700 0.044 0.000 0.789 220 Q N -0.186 119.642 119.800 0.047 0.000 2.119 220 Q HA -0.179 4.151 4.340 -0.016 0.000 0.201 220 Q C 2.193 178.225 176.000 0.053 0.000 0.972 220 Q CA 1.684 57.516 55.803 0.050 0.000 0.847 220 Q CB -0.739 28.023 28.738 0.041 0.000 0.903 220 Q HN 0.299 nan 8.270 nan 0.000 0.433 221 Q N -1.143 118.683 119.800 0.045 0.000 2.167 221 Q HA -0.083 4.248 4.340 -0.016 0.000 0.202 221 Q C 2.018 178.021 176.000 0.005 0.000 0.970 221 Q CA 1.366 57.193 55.803 0.040 0.000 0.855 221 Q CB 0.151 28.915 28.738 0.043 0.000 0.911 221 Q HN 0.251 nan 8.270 nan 0.000 0.438 222 V N 1.079 120.998 119.914 0.007 0.000 2.261 222 V HA -0.272 3.838 4.120 -0.016 0.000 0.246 222 V C 2.190 178.365 176.094 0.136 0.000 1.047 222 V CA 1.577 63.876 62.300 -0.002 0.000 1.015 222 V CB -0.566 31.300 31.823 0.072 0.000 0.642 222 V HN 0.352 nan 8.190 nan 0.000 0.446 223 L N 0.305 121.628 121.223 0.166 0.000 2.013 223 L HA -0.263 4.067 4.340 -0.016 0.000 0.212 223 L C 2.379 179.363 176.870 0.188 0.000 1.073 223 L CA 2.368 57.331 54.840 0.206 0.000 0.753 223 L CB -0.703 41.427 42.059 0.118 0.000 0.890 223 L HN 0.457 nan 8.230 nan 0.000 0.432 224 D N -0.228 120.240 120.400 0.114 0.000 2.269 224 D HA -0.108 4.523 4.640 -0.016 0.000 0.208 224 D C 2.121 178.495 176.300 0.124 0.000 0.963 224 D CA 1.010 55.072 54.000 0.104 0.000 0.864 224 D CB 0.059 40.909 40.800 0.084 0.000 0.936 224 D HN 0.212 nan 8.370 nan 0.000 0.505 225 G N -0.831 108.001 108.800 0.053 0.000 2.422 225 G HA2 -0.224 3.727 3.960 -0.016 0.000 0.218 225 G HA3 -0.224 3.727 3.960 -0.016 0.000 0.218 225 G C 1.222 176.124 174.900 0.003 0.000 1.146 225 G CA 0.492 45.591 45.100 -0.002 0.000 0.769 225 G HN 0.274 nan 8.290 nan 0.000 0.547 226 F N 1.161 121.144 119.950 0.055 0.000 2.149 226 F HA 0.481 4.998 4.527 -0.016 0.000 0.294 226 F C 1.467 177.252 175.800 -0.024 0.000 1.095 226 F CA 0.915 58.927 58.000 0.021 0.000 1.276 226 F CB 0.107 39.103 39.000 -0.007 0.000 1.023 226 F HN 0.244 nan 8.300 nan 0.000 0.480 227 A N -0.579 122.352 122.820 0.184 0.000 2.520 227 A HA 0.413 4.723 4.320 -0.016 0.000 0.298 227 A C -1.538 176.073 177.584 0.044 0.000 1.051 227 A CA -0.784 51.290 52.037 0.062 0.000 0.690 227 A CB 0.545 19.573 19.000 0.047 0.000 1.281 227 A HN 0.040 nan 8.150 nan 0.000 0.402 228 D N 1.294 121.694 120.400 0.001 0.000 2.472 228 D HA 0.117 4.748 4.640 -0.016 0.000 0.248 228 D C 0.721 177.025 176.300 0.006 0.000 1.174 228 D CA 0.498 54.499 54.000 0.002 0.000 0.883 228 D CB 0.822 41.609 40.800 -0.022 0.000 1.149 228 D HN 0.330 nan 8.370 nan 0.000 0.488 229 Q N 2.696 122.508 119.800 0.020 0.000 2.403 229 Q HA -0.042 4.288 4.340 -0.016 0.000 0.203 229 Q C 1.165 177.172 176.000 0.013 0.000 0.932 229 Q CA 0.221 56.038 55.803 0.023 0.000 0.945 229 Q CB 0.345 29.105 28.738 0.037 0.000 1.045 229 Q HN 0.613 nan 8.270 nan 0.000 0.511 230 Q N 0.909 120.711 119.800 0.003 0.000 2.050 230 Q HA -0.084 4.246 4.340 -0.016 0.000 0.202 230 Q C -0.766 175.229 176.000 -0.010 0.000 0.980 230 Q CA 1.605 57.407 55.803 -0.003 0.000 0.840 230 Q CB -0.929 27.805 28.738 -0.008 0.000 0.898 230 Q HN 0.267 nan 8.270 nan 0.000 0.424 231 P HA -0.062 nan 4.420 nan 0.000 0.226 231 P C -0.840 176.443 177.300 -0.028 0.000 1.146 231 P CA 1.051 64.133 63.100 -0.031 0.000 0.773 231 P CB -0.159 31.515 31.700 -0.044 0.000 0.772 232 A N 0.371 123.186 122.820 -0.008 0.000 2.450 232 A HA 0.375 4.685 4.320 -0.016 0.000 0.255 232 A C 0.851 178.442 177.584 0.011 0.000 1.096 232 A CA -0.152 51.891 52.037 0.009 0.000 0.778 232 A CB -0.192 18.835 19.000 0.046 0.000 1.031 232 A HN 0.248 nan 8.150 nan 0.000 0.494 233 S N 2.757 118.447 115.700 -0.017 0.000 2.614 233 S HA 0.504 4.965 4.470 -0.016 0.000 0.265 233 S C -2.649 172.018 174.600 0.110 0.000 1.303 233 S CA -1.209 56.989 58.200 -0.004 0.000 1.000 233 S CB 0.019 63.157 63.200 -0.103 0.000 0.935 233 S HN 0.498 nan 8.310 nan 0.000 0.551 234 P HA 0.215 nan 4.420 nan 0.000 0.263 234 P C 0.987 178.413 177.300 0.211 0.000 1.175 234 P CA 1.554 64.723 63.100 0.117 0.000 0.761 234 P CB -0.036 31.710 31.700 0.076 0.000 0.794 235 G N 0.716 109.579 108.800 0.104 0.000 2.159 235 G HA2 -0.208 3.742 3.960 -0.016 0.000 0.256 235 G HA3 -0.208 3.742 3.960 -0.016 0.000 0.256 235 G C -0.079 174.668 174.900 -0.254 0.000 0.977 235 G CA 0.021 45.102 45.100 -0.032 0.000 0.652 235 G HN 0.694 nan 8.290 nan 0.000 0.531 236 H N -0.536 118.543 119.070 0.015 0.000 2.946 236 H HA 0.847 5.394 4.556 -0.016 0.000 0.365 236 H C 0.237 175.567 175.328 0.003 0.000 1.197 236 H CA 0.194 56.246 56.048 0.006 0.000 1.131 236 H CB 1.942 31.698 29.762 -0.011 0.000 1.849 236 H HN 0.770 nan 8.280 nan 0.000 0.555 237 A N 1.010 123.898 122.820 0.113 0.000 2.532 237 A HA 0.669 4.980 4.320 -0.016 0.000 0.290 237 A C -1.502 176.102 177.584 0.033 0.000 1.143 237 A CA -0.629 51.444 52.037 0.061 0.000 0.728 237 A CB 1.285 20.314 19.000 0.048 0.000 1.317 237 A HN 0.456 nan 8.150 nan 0.000 0.414 238 I N 1.830 122.413 120.570 0.022 0.000 2.377 238 I HA 0.456 4.616 4.170 -0.016 0.000 0.293 238 I C 0.019 176.135 176.117 -0.002 0.000 0.987 238 I CA -0.332 60.971 61.300 0.005 0.000 1.185 238 I CB 0.734 38.732 38.000 -0.003 0.000 1.341 238 I HN 0.704 nan 8.210 nan 0.000 0.455 239 I N 2.760 123.321 120.570 -0.015 0.000 2.797 239 I HA 0.778 4.939 4.170 -0.016 0.000 0.307 239 I C -0.678 175.425 176.117 -0.023 0.000 1.033 239 I CA -0.409 60.856 61.300 -0.058 0.000 1.071 239 I CB 2.248 40.190 38.000 -0.097 0.000 1.255 239 I HN 0.384 nan 8.210 nan 0.000 0.445 240 C N 4.260 123.515 119.300 -0.074 0.000 2.719 240 C HA 0.850 5.301 4.460 -0.016 0.000 0.327 240 C C -0.219 174.735 174.990 -0.059 0.000 1.238 240 C CA -0.464 58.527 59.018 -0.045 0.000 1.727 240 C CB 1.871 29.585 27.740 -0.043 0.000 2.256 240 C HN 0.938 nan 8.230 nan 0.000 0.489 241 M N 1.177 120.750 119.600 -0.045 0.000 2.534 241 M HA 0.318 4.789 4.480 -0.016 0.000 0.280 241 M C -0.881 175.395 176.300 -0.040 0.000 1.217 241 M CA -0.349 54.935 55.300 -0.027 0.000 0.893 241 M CB 1.431 34.041 32.600 0.016 0.000 1.730 241 M HN 0.924 nan 8.290 nan 0.000 0.483 242 H N 3.728 122.770 119.070 -0.046 0.000 3.094 242 H HA 0.089 4.635 4.556 -0.016 0.000 0.320 242 H C -2.144 173.096 175.328 -0.147 0.000 1.000 242 H CA 0.008 56.055 56.048 -0.001 0.000 1.413 242 H CB 0.946 30.743 29.762 0.059 0.000 1.405 242 H HN 0.387 nan 8.280 nan 0.000 0.586 243 P HA -0.146 nan 4.420 nan 0.000 0.220 243 P C 1.669 178.836 177.300 -0.220 0.000 1.148 243 P CA 0.598 63.651 63.100 -0.077 0.000 0.803 243 P CB 0.400 32.081 31.700 -0.031 0.000 0.782 244 V N -0.202 119.494 119.914 -0.364 0.000 2.270 244 V HA -0.270 3.840 4.120 -0.016 0.000 0.245 244 V C 2.682 178.579 176.094 -0.328 0.000 1.043 244 V CA 2.010 63.933 62.300 -0.628 0.000 1.014 244 V CB -1.255 29.790 31.823 -1.296 0.000 0.645 244 V HN 0.095 nan 8.190 nan 0.000 0.447 245 Q N 0.744 120.392 119.800 -0.254 0.000 2.112 245 Q HA -0.235 4.096 4.340 -0.016 0.000 0.206 245 Q C 2.075 178.048 176.000 -0.044 0.000 0.987 245 Q CA 2.546 58.273 55.803 -0.125 0.000 0.858 245 Q CB -0.676 28.009 28.738 -0.087 0.000 0.905 245 Q HN 0.604 nan 8.270 nan 0.000 0.420 246 A N -0.112 122.671 122.820 -0.061 0.000 1.940 246 A HA -0.235 4.075 4.320 -0.016 0.000 0.219 246 A C 2.027 179.635 177.584 0.038 0.000 1.176 246 A CA 1.641 53.666 52.037 -0.020 0.000 0.631 246 A CB -0.580 18.123 19.000 -0.496 0.000 0.814 246 A HN 0.448 nan 8.150 nan 0.000 0.446 247 Q N -0.155 119.621 119.800 -0.039 0.000 2.046 247 Q HA -0.079 4.251 4.340 -0.016 0.000 0.200 247 Q C 2.228 178.273 176.000 0.075 0.000 0.975 247 Q CA 1.286 57.104 55.803 0.026 0.000 0.836 247 Q CB -0.568 28.166 28.738 -0.006 0.000 0.896 247 Q HN 0.734 nan 8.270 nan 0.000 0.428 248 L N -0.455 120.802 121.223 0.057 0.000 2.017 248 L HA -0.168 4.162 4.340 -0.016 0.000 0.208 248 L C 2.380 179.353 176.870 0.172 0.000 1.073 248 L CA 1.261 56.160 54.840 0.097 0.000 0.745 248 L CB -0.638 41.455 42.059 0.058 0.000 0.894 248 L HN 0.137 nan 8.230 nan 0.000 0.432 249 F N 0.669 120.615 119.950 -0.007 0.000 2.091 249 F HA -0.296 4.222 4.527 -0.016 0.000 0.299 249 F C 2.501 178.354 175.800 0.089 0.000 1.103 249 F CA 1.588 59.587 58.000 -0.002 0.000 1.228 249 F CB -0.026 38.901 39.000 -0.121 0.000 0.984 249 F HN -0.039 nan 8.300 nan 0.000 0.477 250 M N -0.095 119.532 119.600 0.044 0.000 2.630 250 M HA -0.143 4.327 4.480 -0.016 0.000 0.254 250 M C 1.767 178.057 176.300 -0.017 0.000 1.092 250 M CA 0.861 56.132 55.300 -0.049 0.000 1.087 250 M CB -0.339 32.319 32.600 0.097 0.000 1.453 250 M HN 0.337 nan 8.290 nan 0.000 0.509 251 Q N 0.240 120.057 119.800 0.028 0.000 2.224 251 Q HA -0.086 4.244 4.340 -0.016 0.000 0.203 251 Q C 0.662 176.647 176.000 -0.025 0.000 0.970 251 Q CA 0.630 56.448 55.803 0.025 0.000 0.865 251 Q CB 0.015 28.789 28.738 0.061 0.000 0.922 251 Q HN 0.438 nan 8.270 nan 0.000 0.445 252 D N -0.721 119.644 120.400 -0.058 0.000 2.390 252 D HA 0.084 4.714 4.640 -0.016 0.000 0.249 252 D C 0.572 176.760 176.300 -0.187 0.000 1.144 252 D CA 0.111 54.011 54.000 -0.167 0.000 0.880 252 D CB 1.334 41.958 40.800 -0.294 0.000 1.182 252 D HN 0.126 nan 8.370 nan 0.000 0.451 253 A N 5.348 128.060 122.820 -0.181 0.000 1.917 253 A HA -0.249 4.061 4.320 -0.016 0.000 0.219 253 A C 2.102 179.618 177.584 -0.113 0.000 1.182 253 A CA 1.406 53.366 52.037 -0.128 0.000 0.633 253 A CB -0.204 18.724 19.000 -0.121 0.000 0.819 253 A HN 0.715 nan 8.150 nan 0.000 0.448 254 R N -0.877 119.515 120.500 -0.179 0.000 2.081 254 R HA -0.082 4.248 4.340 -0.016 0.000 0.235 254 R C 2.023 178.391 176.300 0.112 0.000 1.131 254 R CA 1.490 57.571 56.100 -0.032 0.000 0.960 254 R CB -0.525 29.715 30.300 -0.100 0.000 0.856 254 R HN 0.424 nan 8.270 nan 0.000 0.436 255 V N 0.885 120.765 119.914 -0.056 0.000 2.323 255 V HA -0.221 3.889 4.120 -0.016 0.000 0.244 255 V C 2.349 178.417 176.094 -0.045 0.000 1.041 255 V CA 1.523 63.761 62.300 -0.104 0.000 1.025 255 V CB -0.501 30.989 31.823 -0.555 0.000 0.656 255 V HN 0.277 nan 8.190 nan 0.000 0.451 256 Q N -0.066 119.698 119.800 -0.059 0.000 2.112 256 Q HA -0.310 4.020 4.340 -0.016 0.000 0.206 256 Q C 2.252 178.260 176.000 0.014 0.000 0.987 256 Q CA 2.253 58.047 55.803 -0.015 0.000 0.858 256 Q CB -0.476 28.249 28.738 -0.023 0.000 0.905 256 Q HN 0.687 nan 8.270 nan 0.000 0.420 257 Q N 0.503 120.315 119.800 0.020 0.000 2.050 257 Q HA -0.072 4.258 4.340 -0.016 0.000 0.202 257 Q C 2.127 178.162 176.000 0.059 0.000 0.980 257 Q CA 1.226 57.051 55.803 0.036 0.000 0.840 257 Q CB -0.293 28.466 28.738 0.036 0.000 0.898 257 Q HN 0.397 nan 8.270 nan 0.000 0.424 258 L N -0.473 120.804 121.223 0.091 0.000 2.083 258 L HA -0.174 4.157 4.340 -0.016 0.000 0.209 258 L C 2.288 179.206 176.870 0.080 0.000 1.083 258 L CA 0.855 55.758 54.840 0.106 0.000 0.752 258 L CB -0.427 41.730 42.059 0.163 0.000 0.899 258 L HN 0.275 nan 8.230 nan 0.000 0.433 259 L N -0.569 120.698 121.223 0.074 0.000 2.027 259 L HA -0.193 4.137 4.340 -0.016 0.000 0.206 259 L C 2.812 179.716 176.870 0.057 0.000 1.074 259 L CA 1.169 56.055 54.840 0.077 0.000 0.745 259 L CB -0.487 41.627 42.059 0.091 0.000 0.898 259 L HN 0.222 nan 8.230 nan 0.000 0.433 260 R N 0.302 120.830 120.500 0.046 0.000 2.091 260 R HA -0.180 4.150 4.340 -0.016 0.000 0.238 260 R C 1.281 177.602 176.300 0.034 0.000 1.136 260 R CA 1.851 57.972 56.100 0.035 0.000 0.959 260 R CB -0.124 30.192 30.300 0.027 0.000 0.856 260 R HN 0.311 nan 8.270 nan 0.000 0.437 261 D N 0.592 121.017 120.400 0.041 0.000 2.349 261 D HA -0.014 4.616 4.640 -0.016 0.000 0.224 261 D C -0.177 176.150 176.300 0.044 0.000 1.029 261 D CA 0.266 54.290 54.000 0.041 0.000 0.879 261 D CB 0.030 40.857 40.800 0.045 0.000 0.906 261 D HN 0.275 nan 8.370 nan 0.000 0.528 262 N N -0.087 118.640 118.700 0.044 0.000 2.725 262 N HA -0.159 4.571 4.740 -0.016 0.000 0.249 262 N C 1.110 176.652 175.510 0.053 0.000 1.103 262 N CA 0.296 53.370 53.050 0.039 0.000 0.707 262 N CB -1.444 37.057 38.487 0.023 0.000 1.043 262 N HN 0.182 nan 8.380 nan 0.000 0.553 263 V N 0.061 120.018 119.914 0.071 0.000 2.407 263 V HA 0.030 4.141 4.120 -0.016 0.000 0.245 263 V C 1.466 177.602 176.094 0.070 0.000 1.041 263 V CA 1.689 64.050 62.300 0.101 0.000 1.040 263 V CB -0.142 31.757 31.823 0.128 0.000 0.671 263 V HN 0.529 nan 8.190 nan 0.000 0.455 264 I N -1.609 118.974 120.570 0.021 0.000 2.846 264 I HA 0.638 4.798 4.170 -0.016 0.000 0.307 264 I C -0.563 175.592 176.117 0.062 0.000 1.053 264 I CA -1.001 60.280 61.300 -0.031 0.000 1.050 264 I CB 2.152 40.050 38.000 -0.170 0.000 1.239 264 I HN -0.100 nan 8.210 nan 0.000 0.439 265 R N 2.374 122.926 120.500 0.088 0.000 2.534 265 R HA 0.301 4.632 4.340 -0.016 0.000 0.301 265 R C -1.366 175.030 176.300 0.160 0.000 0.961 265 R CA -0.817 55.337 56.100 0.090 0.000 0.871 265 R CB 1.737 32.035 30.300 -0.003 0.000 1.170 265 R HN 0.643 nan 8.270 nan 0.000 0.446 266 D N 3.892 124.373 120.400 0.135 0.000 2.336 266 D HA 0.064 4.694 4.640 -0.016 0.000 0.249 266 D C 0.381 176.578 176.300 -0.171 0.000 1.213 266 D CA -0.114 53.851 54.000 -0.057 0.000 0.870 266 D CB 0.883 41.740 40.800 0.094 0.000 1.076 266 D HN 0.486 nan 8.370 nan 0.000 0.483 267 L N 3.433 124.467 121.223 -0.316 0.000 2.653 267 L HA 0.336 4.667 4.340 -0.016 0.000 0.231 267 L C 1.512 178.161 176.870 -0.369 0.000 1.153 267 L CA -0.121 54.560 54.840 -0.264 0.000 0.933 267 L CB -0.654 41.277 42.059 -0.214 0.000 1.175 267 L HN 0.662 nan 8.230 nan 0.000 0.473 268 G N 0.746 109.217 108.800 -0.548 0.000 2.697 268 G HA2 -0.314 3.636 3.960 -0.016 0.000 0.240 268 G HA3 -0.314 3.636 3.960 -0.016 0.000 0.240 268 G C -0.124 174.217 174.900 -0.931 0.000 1.346 268 G CA -0.445 44.215 45.100 -0.733 0.000 0.887 268 G HN 0.357 nan 8.290 nan 0.000 0.569 269 Q N 0.729 120.181 119.800 -0.580 0.000 2.837 269 Q HA 0.374 4.704 4.340 -0.016 0.000 0.235 269 Q C 1.200 177.051 176.000 -0.249 0.000 1.348 269 Q CA 0.466 56.059 55.803 -0.350 0.000 0.990 269 Q CB -0.010 28.645 28.738 -0.140 0.000 1.570 269 Q HN 0.776 nan 8.270 nan 0.000 0.575 270 S N -1.367 114.171 115.700 -0.271 0.000 2.666 270 S HA 0.206 4.667 4.470 -0.016 0.000 0.239 270 S C 0.862 175.362 174.600 -0.167 0.000 1.031 270 S CA -0.243 57.842 58.200 -0.193 0.000 1.015 270 S CB 0.807 63.894 63.200 -0.189 0.000 0.981 270 S HN 0.441 nan 8.310 nan 0.000 0.547 271 G N 1.668 110.356 108.800 -0.187 0.000 2.535 271 G HA2 0.427 4.378 3.960 -0.016 0.000 0.282 271 G HA3 0.427 4.378 3.960 -0.016 0.000 0.282 271 G C -0.297 174.503 174.900 -0.167 0.000 1.350 271 G CA -1.196 43.803 45.100 -0.168 0.000 1.039 271 G HN 0.397 nan 8.290 nan 0.000 0.509 272 R N -1.032 119.363 120.500 -0.175 0.000 2.537 272 R HA 0.063 4.393 4.340 -0.016 0.000 0.281 272 R C -0.382 175.812 176.300 -0.177 0.000 0.988 272 R CA -0.163 55.826 56.100 -0.184 0.000 1.077 272 R CB 0.274 30.437 30.300 -0.229 0.000 0.932 272 R HN 0.125 nan 8.270 nan 0.000 0.409 273 V N 2.823 122.664 119.914 -0.123 0.000 2.470 273 V HA 0.393 4.503 4.120 -0.016 0.000 0.276 273 V C 0.567 176.649 176.094 -0.020 0.000 1.040 273 V CA 0.055 62.316 62.300 -0.065 0.000 1.008 273 V CB 0.770 32.571 31.823 -0.037 0.000 0.990 273 V HN 0.940 nan 8.190 nan 0.000 0.477 274 A N 4.151 127.019 122.820 0.080 0.000 2.566 274 A HA 0.862 5.173 4.320 -0.016 0.000 0.292 274 A C -0.535 177.368 177.584 0.532 0.000 1.112 274 A CA -0.606 51.581 52.037 0.249 0.000 0.707 274 A CB 2.040 21.177 19.000 0.228 0.000 1.302 274 A HN 0.595 nan 8.150 nan 0.000 0.409 275 S N 1.924 117.922 115.700 0.498 0.000 2.478 275 S HA 0.650 5.111 4.470 -0.016 0.000 0.312 275 S C -2.804 171.903 174.600 0.178 0.000 1.094 275 S CA -1.025 57.379 58.200 0.340 0.000 1.081 275 S CB 1.404 64.763 63.200 0.264 0.000 1.007 275 S HN 0.496 nan 8.310 nan 0.000 0.475 276 P HA 0.100 nan 4.420 nan 0.000 0.266 276 P C 0.289 177.504 177.300 -0.142 0.000 1.195 276 P CA -0.082 62.712 63.100 -0.511 0.000 0.768 276 P CB 0.214 31.598 31.700 -0.526 0.000 0.838 277 T N -0.732 113.769 114.554 -0.090 0.000 2.852 277 T HA 0.481 4.822 4.350 -0.016 0.000 0.281 277 T C 1.470 176.125 174.700 -0.074 0.000 0.993 277 T CA -0.101 61.973 62.100 -0.042 0.000 0.933 277 T CB 0.267 69.165 68.868 0.051 0.000 1.187 277 T HN 0.246 nan 8.240 nan 0.000 0.559 278 A N 0.635 123.406 122.820 -0.083 0.000 2.019 278 A HA -0.017 4.293 4.320 -0.016 0.000 0.219 278 A C 2.430 179.989 177.584 -0.042 0.000 1.164 278 A CA 1.885 53.877 52.037 -0.075 0.000 0.644 278 A CB -1.425 17.515 19.000 -0.100 0.000 0.805 278 A HN 1.123 nan 8.150 nan 0.000 0.449 279 S N -1.171 114.511 115.700 -0.030 0.000 2.607 279 S HA 0.133 4.593 4.470 -0.016 0.000 0.224 279 S C 1.162 175.766 174.600 0.007 0.000 0.969 279 S CA 0.503 58.698 58.200 -0.008 0.000 0.927 279 S CB -0.445 62.757 63.200 0.003 0.000 0.772 279 S HN 0.643 nan 8.310 nan 0.000 0.533 280 I N 0.061 120.622 120.570 -0.015 0.000 4.300 280 I HA -0.364 3.796 4.170 -0.016 0.000 0.079 280 I C 1.401 177.500 176.117 -0.031 0.000 0.562 280 I CA 2.312 63.617 61.300 0.009 0.000 1.126 280 I CB -2.152 35.930 38.000 0.136 0.000 1.002 280 I HN 0.620 nan 8.210 nan 0.000 0.174 281 R N 1.473 122.006 120.500 0.056 0.000 2.317 281 R HA 0.355 4.685 4.340 -0.016 0.000 0.208 281 R C 0.260 176.685 176.300 0.210 0.000 0.914 281 R CA 0.501 56.715 56.100 0.189 0.000 1.060 281 R CB -0.741 29.670 30.300 0.185 0.000 1.015 281 R HN 0.393 nan 8.270 nan 0.000 0.498 282 T N 0.832 115.431 114.554 0.076 0.000 2.771 282 T HA 0.410 4.751 4.350 -0.016 0.000 0.281 282 T C -1.174 173.625 174.700 0.165 0.000 0.982 282 T CA -0.407 61.812 62.100 0.199 0.000 0.978 282 T CB 0.709 69.644 68.868 0.111 0.000 0.930 282 T HN 0.194 nan 8.240 nan 0.000 0.447 283 W N 2.639 124.120 121.300 0.302 0.000 2.573 283 W HA 0.647 5.298 4.660 -0.015 0.000 0.326 283 W C -0.534 176.235 176.519 0.417 0.000 1.049 283 W CA -1.217 56.307 57.345 0.298 0.000 1.220 283 W CB 0.840 30.404 29.460 0.173 0.000 1.373 283 W HN 0.580 nan 8.180 nan 0.000 0.507 284 F N 4.224 124.416 119.950 0.403 0.000 2.443 284 F HA 0.706 5.224 4.527 -0.015 0.000 0.335 284 F C -0.526 175.339 175.800 0.108 0.000 1.104 284 F CA -0.891 57.217 58.000 0.179 0.000 1.013 284 F CB 0.638 39.752 39.000 0.192 0.000 1.136 284 F HN 0.113 nan 8.300 nan 0.000 0.470 285 I N 4.973 125.125 120.570 -0.697 0.000 2.439 285 I HA 0.147 4.307 4.170 -0.016 0.000 0.285 285 I C -0.935 174.588 176.117 -0.991 0.000 1.021 285 I CA -0.916 60.040 61.300 -0.572 0.000 1.091 285 I CB 1.609 39.427 38.000 -0.303 0.000 1.242 285 I HN 0.546 nan 8.210 nan 0.000 0.439 286 D N 6.124 126.081 120.400 -0.738 0.000 2.586 286 D HA -0.101 4.529 4.640 -0.016 0.000 0.234 286 D C 0.516 176.632 176.300 -0.307 0.000 1.132 286 D CA 1.168 54.908 54.000 -0.432 0.000 0.860 286 D CB 0.499 41.273 40.800 -0.043 0.000 1.159 286 D HN 0.607 nan 8.370 nan 0.000 0.490 287 D N 0.562 120.802 120.400 -0.267 0.000 3.046 287 D HA -0.282 4.348 4.640 -0.016 0.000 0.210 287 D C -0.238 175.959 176.300 -0.172 0.000 1.124 287 D CA 0.895 54.787 54.000 -0.179 0.000 0.986 287 D CB -1.500 39.239 40.800 -0.102 0.000 1.118 287 D HN 0.661 nan 8.370 nan 0.000 0.416 288 H N 1.009 119.862 119.070 -0.362 0.000 2.551 288 H HA 0.203 4.749 4.556 -0.016 0.000 0.358 288 H C 0.916 175.999 175.328 -0.407 0.000 1.151 288 H CA 0.313 56.166 56.048 -0.325 0.000 1.374 288 H CB 0.849 30.431 29.762 -0.301 0.000 1.473 288 H HN -0.281 nan 8.280 nan 0.000 0.574 289 D N 2.110 121.951 120.400 -0.931 0.000 2.348 289 D HA -0.064 4.567 4.640 -0.016 0.000 0.216 289 D C -0.419 175.141 176.300 -1.232 0.000 0.970 289 D CA 1.094 54.454 54.000 -1.067 0.000 0.889 289 D CB 0.046 40.101 40.800 -1.242 0.000 0.912 289 D HN 0.406 nan 8.370 nan 0.000 0.524 290 Y N -1.528 118.413 120.300 -0.598 0.000 2.524 290 Y HA 0.358 4.898 4.550 -0.016 0.000 0.347 290 Y C -0.214 175.571 175.900 -0.191 0.000 1.005 290 Y CA -1.337 56.574 58.100 -0.315 0.000 1.025 290 Y CB 1.137 39.416 38.460 -0.303 0.000 1.275 290 Y HN -0.343 nan 8.280 nan 0.000 0.460 291 F N 2.338 122.355 119.950 0.111 0.000 2.382 291 F HA 0.416 4.933 4.527 -0.017 0.000 0.331 291 F C 0.149 176.038 175.800 0.147 0.000 1.121 291 F CA -0.269 57.828 58.000 0.162 0.000 1.183 291 F CB 0.565 39.670 39.000 0.176 0.000 1.207 291 F HN 0.171 nan 8.300 nan 0.000 0.555 292 I N 2.840 123.660 120.570 0.416 0.000 2.330 292 I HA 0.241 4.401 4.170 -0.016 0.000 0.289 292 I C -0.395 175.991 176.117 0.448 0.000 1.001 292 I CA -0.663 60.836 61.300 0.333 0.000 1.193 292 I CB 1.372 39.532 38.000 0.267 0.000 1.345 292 I HN 0.487 nan 8.210 nan 0.000 0.461 293 K N 5.771 126.392 120.400 0.368 0.000 2.265 293 K HA 0.687 4.997 4.320 -0.016 0.000 0.267 293 K C -0.357 176.420 176.600 0.294 0.000 0.994 293 K CA -0.381 56.093 56.287 0.312 0.000 0.860 293 K CB 1.551 34.164 32.500 0.187 0.000 1.099 293 K HN 0.757 nan 8.250 nan 0.000 0.448 294 G N 1.518 110.488 108.800 0.283 0.000 2.537 294 G HA2 0.303 4.253 3.960 -0.016 0.000 0.308 294 G HA3 0.303 4.253 3.960 -0.016 0.000 0.308 294 G C -1.002 173.966 174.900 0.114 0.000 1.237 294 G CA -0.744 44.463 45.100 0.179 0.000 0.968 294 G HN 0.577 nan 8.290 nan 0.000 0.481 295 S N -0.930 114.783 115.700 0.022 0.000 2.562 295 S HA 0.333 4.793 4.470 -0.016 0.000 0.281 295 S C -0.478 174.113 174.600 -0.015 0.000 1.333 295 S CA 0.071 58.257 58.200 -0.023 0.000 1.052 295 S CB 0.960 64.099 63.200 -0.102 0.000 0.884 295 S HN 0.499 nan 8.310 nan 0.000 0.506 296 L N 3.783 124.991 121.223 -0.025 0.000 2.504 296 L HA 0.436 4.767 4.340 -0.016 0.000 0.265 296 L C -0.929 175.922 176.870 -0.032 0.000 0.975 296 L CA -0.291 54.513 54.840 -0.060 0.000 0.864 296 L CB 1.044 43.056 42.059 -0.079 0.000 1.212 296 L HN 0.463 nan 8.230 nan 0.000 0.416 297 N N 3.338 122.015 118.700 -0.038 0.000 3.178 297 N HA 0.390 5.121 4.740 -0.016 0.000 0.300 297 N C -1.087 174.442 175.510 0.032 0.000 1.242 297 N CA 0.220 53.265 53.050 -0.008 0.000 1.192 297 N CB 0.180 38.657 38.487 -0.016 0.000 1.463 297 N HN 0.296 nan 8.380 nan 0.000 0.539 298 V N 0.153 120.092 119.914 0.041 0.000 3.012 298 V HA 0.348 4.459 4.120 -0.016 0.000 0.307 298 V C -0.073 176.041 176.094 0.033 0.000 1.166 298 V CA -1.116 61.223 62.300 0.066 0.000 0.974 298 V CB 2.718 34.633 31.823 0.153 0.000 1.040 298 V HN 0.295 nan 8.190 nan 0.000 0.428 299 R N 3.201 123.708 120.500 0.011 0.000 2.389 299 R HA 0.616 4.946 4.340 -0.016 0.000 0.295 299 R C -1.373 174.900 176.300 -0.045 0.000 1.075 299 R CA 0.017 56.112 56.100 -0.008 0.000 1.005 299 R CB 0.382 30.679 30.300 -0.005 0.000 0.987 299 R HN 0.671 nan 8.270 nan 0.000 0.452 300 I N 4.914 125.459 120.570 -0.040 0.000 2.534 300 I HA 0.135 4.295 4.170 -0.016 0.000 0.288 300 I C 0.748 176.810 176.117 -0.091 0.000 1.077 300 I CA -0.435 60.819 61.300 -0.077 0.000 1.051 300 I CB 2.143 40.112 38.000 -0.051 0.000 1.234 300 I HN 1.088 nan 8.210 nan 0.000 0.425 301 T N 2.889 117.338 114.554 -0.175 0.000 13.111 301 T HA -0.341 4.000 4.350 -0.016 0.000 0.393 301 T C 0.667 175.366 174.700 -0.003 0.000 1.464 301 T CA 1.416 63.339 62.100 -0.295 0.000 2.201 301 T CB -0.780 67.759 68.868 -0.548 0.000 2.606 301 T HN 0.582 nan 8.240 nan 0.000 0.364 302 N N 3.135 121.862 118.700 0.046 0.000 2.455 302 N HA 0.484 5.215 4.740 -0.016 0.000 0.258 302 N C 0.051 175.584 175.510 0.038 0.000 1.158 302 N CA 0.413 53.509 53.050 0.077 0.000 0.893 302 N CB -0.759 37.777 38.487 0.083 0.000 1.173 302 N HN 1.074 nan 8.380 nan 0.000 0.503 303 C N -4.473 114.843 119.300 0.026 0.000 3.034 303 C HA 0.342 4.792 4.460 -0.016 0.000 0.336 303 C C -0.330 174.673 174.990 0.021 0.000 1.304 303 C CA -1.251 57.784 59.018 0.028 0.000 1.197 303 C CB 0.210 27.971 27.740 0.036 0.000 1.373 303 C HN -0.071 nan 8.230 nan 0.000 0.459 304 V N 2.788 122.717 119.914 0.025 0.000 2.572 304 V HA 0.333 4.443 4.120 -0.016 0.000 0.291 304 V C 0.877 176.981 176.094 0.016 0.000 1.039 304 V CA 0.229 62.542 62.300 0.022 0.000 1.055 304 V CB 0.696 32.535 31.823 0.027 0.000 0.969 304 V HN 0.832 nan 8.190 nan 0.000 0.482 305 R N 3.581 124.090 120.500 0.015 0.000 3.351 305 R HA 0.168 4.499 4.340 -0.016 0.000 0.296 305 R C 0.268 176.568 176.300 -0.001 0.000 1.427 305 R CA -0.200 55.908 56.100 0.014 0.000 1.257 305 R CB -0.479 29.837 30.300 0.027 0.000 1.378 305 R HN 0.795 nan 8.270 nan 0.000 0.610 306 K N -0.135 120.253 120.400 -0.020 0.000 2.110 306 K HA 0.322 4.632 4.320 -0.016 0.000 0.263 306 K C -0.326 176.232 176.600 -0.070 0.000 0.975 306 K CA -0.746 55.509 56.287 -0.053 0.000 0.895 306 K CB 1.227 33.685 32.500 -0.070 0.000 1.060 306 K HN -0.194 nan 8.250 nan 0.000 0.448 307 N N 1.493 120.139 118.700 -0.091 0.000 2.462 307 N HA 0.160 4.890 4.740 -0.016 0.000 0.242 307 N C -0.528 174.857 175.510 -0.209 0.000 1.010 307 N CA -0.344 52.631 53.050 -0.125 0.000 0.939 307 N CB 1.485 39.923 38.487 -0.081 0.000 1.127 307 N HN 0.780 nan 8.380 nan 0.000 0.509 308 A N 2.658 125.270 122.820 -0.346 0.000 2.466 308 A HA 0.011 4.322 4.320 -0.016 0.000 0.238 308 A C 1.521 178.714 177.584 -0.651 0.000 1.074 308 A CA -0.609 51.068 52.037 -0.601 0.000 0.774 308 A CB 0.095 18.410 19.000 -1.141 0.000 1.015 308 A HN 0.881 nan 8.150 nan 0.000 0.498 309 W N 2.023 122.991 121.300 -0.553 0.000 2.321 309 W HA -0.328 4.323 4.660 -0.016 0.000 0.306 309 W C 1.333 177.660 176.519 -0.319 0.000 1.217 309 W CA 2.011 59.133 57.345 -0.373 0.000 1.257 309 W CB -1.281 27.976 29.460 -0.339 0.000 1.145 309 W HN 0.911 nan 8.180 nan 0.000 0.509 310 Y N 0.478 120.008 120.300 -1.283 0.000 2.439 310 Y HA 0.129 4.669 4.550 -0.016 0.000 0.292 310 Y C 2.148 177.757 175.900 -0.484 0.000 1.130 310 Y CA 1.421 58.806 58.100 -1.193 0.000 1.254 310 Y CB -1.305 36.245 38.460 -1.515 0.000 1.000 310 Y HN 0.032 nan 8.280 nan 0.000 0.554 311 E N 0.976 120.863 120.200 -0.522 0.000 2.112 311 E HA -0.049 4.292 4.350 -0.016 0.000 0.190 311 E C 1.993 178.521 176.600 -0.120 0.000 0.979 311 E CA 0.880 57.145 56.400 -0.225 0.000 0.814 311 E CB -0.140 29.410 29.700 -0.250 0.000 0.762 311 E HN 0.487 nan 8.360 nan 0.000 0.460 312 L N 1.117 122.258 121.223 -0.136 0.000 2.046 312 L HA -0.196 4.134 4.340 -0.016 0.000 0.208 312 L C 2.342 179.227 176.870 0.024 0.000 1.077 312 L CA 0.919 55.743 54.840 -0.026 0.000 0.747 312 L CB -0.321 41.733 42.059 -0.008 0.000 0.896 312 L HN 0.111 nan 8.230 nan 0.000 0.432 313 E N -0.074 120.136 120.200 0.016 0.000 2.072 313 E HA -0.171 4.169 4.350 -0.016 0.000 0.191 313 E C 2.409 179.040 176.600 0.053 0.000 0.985 313 E CA 1.608 58.048 56.400 0.066 0.000 0.801 313 E CB -0.268 29.494 29.700 0.104 0.000 0.750 313 E HN 0.495 nan 8.360 nan 0.000 0.452 314 S N 0.350 116.061 115.700 0.019 0.000 2.423 314 S HA -0.104 4.357 4.470 -0.016 0.000 0.231 314 S C 2.058 176.693 174.600 0.058 0.000 1.014 314 S CA 1.540 59.761 58.200 0.034 0.000 0.965 314 S CB -0.437 62.775 63.200 0.021 0.000 0.785 314 S HN 0.094 nan 8.310 nan 0.000 0.495 315 T N 2.404 117.001 114.554 0.072 0.000 2.720 315 T HA -0.067 4.274 4.350 -0.016 0.000 0.268 315 T C 1.857 176.645 174.700 0.146 0.000 1.037 315 T CA 1.613 63.791 62.100 0.130 0.000 1.144 315 T CB -0.661 68.281 68.868 0.123 0.000 0.864 315 T HN 0.336 nan 8.240 nan 0.000 0.444 316 V N 1.699 121.681 119.914 0.113 0.000 2.287 316 V HA -0.157 3.954 4.120 -0.016 0.000 0.248 316 V C 2.499 178.646 176.094 0.088 0.000 1.053 316 V CA 1.600 63.965 62.300 0.108 0.000 1.027 316 V CB -0.813 31.069 31.823 0.099 0.000 0.646 316 V HN 0.448 nan 8.190 nan 0.000 0.447 317 L N -0.685 120.580 121.223 0.070 0.000 2.017 317 L HA -0.151 4.179 4.340 -0.016 0.000 0.208 317 L C 2.522 179.404 176.870 0.021 0.000 1.073 317 L CA 1.239 56.109 54.840 0.049 0.000 0.745 317 L CB -0.672 41.417 42.059 0.051 0.000 0.894 317 L HN 0.233 nan 8.230 nan 0.000 0.432 318 I N 0.442 121.015 120.570 0.004 0.000 2.163 318 I HA -0.309 3.851 4.170 -0.016 0.000 0.243 318 I C 2.281 178.300 176.117 -0.162 0.000 1.085 318 I CA 1.813 63.069 61.300 -0.074 0.000 1.347 318 I CB -1.119 36.809 38.000 -0.121 0.000 1.044 318 I HN 0.350 nan 8.210 nan 0.000 0.408 319 D N 0.710 121.060 120.400 -0.084 0.000 2.123 319 D HA -0.249 4.382 4.640 -0.016 0.000 0.196 319 D C 2.434 178.782 176.300 0.080 0.000 0.992 319 D CA 1.373 55.412 54.000 0.066 0.000 0.833 319 D CB -0.029 40.943 40.800 0.286 0.000 0.954 319 D HN 0.118 nan 8.370 nan 0.000 0.455 320 R N -0.631 119.905 120.500 0.059 0.000 2.081 320 R HA -0.134 4.196 4.340 -0.016 0.000 0.235 320 R C 2.256 178.556 176.300 0.000 0.000 1.131 320 R CA 1.069 57.195 56.100 0.043 0.000 0.960 320 R CB -0.417 29.909 30.300 0.042 0.000 0.856 320 R HN 0.272 nan 8.270 nan 0.000 0.436 321 L N 0.251 121.450 121.223 -0.040 0.000 1.994 321 L HA -0.116 4.215 4.340 -0.016 0.000 0.208 321 L C 1.835 178.576 176.870 -0.215 0.000 1.071 321 L CA 1.775 56.521 54.840 -0.157 0.000 0.745 321 L CB -0.735 41.201 42.059 -0.205 0.000 0.892 321 L HN 0.124 nan 8.230 nan 0.000 0.431 322 F N -0.259 119.525 119.950 -0.277 0.000 2.171 322 F HA -0.203 4.314 4.527 -0.016 0.000 0.300 322 F C 2.787 178.516 175.800 -0.118 0.000 1.090 322 F CA 1.678 59.538 58.000 -0.233 0.000 1.293 322 F CB -0.318 38.513 39.000 -0.283 0.000 1.013 322 F HN 0.054 nan 8.300 nan 0.000 0.486 323 R N 0.198 120.763 120.500 0.108 0.000 2.081 323 R HA -0.196 4.135 4.340 -0.016 0.000 0.235 323 R C 2.163 178.473 176.300 0.017 0.000 1.131 323 R CA 1.747 57.892 56.100 0.075 0.000 0.960 323 R CB -0.226 30.121 30.300 0.080 0.000 0.856 323 R HN 0.359 nan 8.270 nan 0.000 0.436 324 Q N -0.025 119.760 119.800 -0.024 0.000 2.079 324 Q HA -0.121 4.210 4.340 -0.016 0.000 0.200 324 Q C 2.218 178.196 176.000 -0.036 0.000 0.974 324 Q CA 1.276 57.060 55.803 -0.033 0.000 0.840 324 Q CB -0.019 28.691 28.738 -0.048 0.000 0.898 324 Q HN 0.351 nan 8.270 nan 0.000 0.430 325 L N 0.193 121.318 121.223 -0.163 0.000 2.046 325 L HA -0.212 4.118 4.340 -0.016 0.000 0.208 325 L C 2.228 179.050 176.870 -0.079 0.000 1.077 325 L CA 1.031 55.738 54.840 -0.222 0.000 0.747 325 L CB -0.372 41.352 42.059 -0.558 0.000 0.896 325 L HN 0.256 nan 8.230 nan 0.000 0.432 326 L N -0.527 120.668 121.223 -0.047 0.000 2.201 326 L HA -0.198 4.132 4.340 -0.016 0.000 0.212 326 L C 2.096 178.968 176.870 0.004 0.000 1.105 326 L CA 0.979 55.821 54.840 0.002 0.000 0.775 326 L CB -0.347 41.741 42.059 0.048 0.000 0.913 326 L HN 0.287 nan 8.230 nan 0.000 0.440 327 D N -0.563 119.836 120.400 -0.001 0.000 2.149 327 D HA -0.147 4.483 4.640 -0.016 0.000 0.206 327 D C 2.034 178.308 176.300 -0.044 0.000 0.967 327 D CA 1.268 55.262 54.000 -0.011 0.000 0.848 327 D CB 0.278 41.075 40.800 -0.004 0.000 0.998 327 D HN 0.257 nan 8.370 nan 0.000 0.474 328 Q N -1.954 117.804 119.800 -0.070 0.000 2.316 328 Q HA 0.168 4.498 4.340 -0.016 0.000 0.235 328 Q C 0.253 175.994 176.000 -0.431 0.000 0.863 328 Q CA 0.211 55.876 55.803 -0.230 0.000 0.939 328 Q CB 0.860 29.431 28.738 -0.279 0.000 1.108 328 Q HN 0.355 nan 8.270 nan 0.000 0.522 329 H N -1.046 117.989 119.070 -0.059 0.000 2.637 329 H HA 0.373 4.920 4.556 -0.016 0.000 0.245 329 H C 0.980 176.295 175.328 -0.023 0.000 1.190 329 H CA 0.145 56.174 56.048 -0.032 0.000 0.934 329 H CB 0.736 30.450 29.762 -0.081 0.000 1.950 329 H HN 0.216 nan 8.280 nan 0.000 0.614 330 A N 0.967 123.811 122.820 0.039 0.000 2.032 330 A HA -0.232 4.078 4.320 -0.016 0.000 0.221 330 A C 1.911 179.523 177.584 0.047 0.000 1.165 330 A CA 1.986 54.041 52.037 0.031 0.000 0.645 330 A CB -0.176 18.831 19.000 0.010 0.000 0.807 330 A HN 0.615 nan 8.150 nan 0.000 0.453 331 D N -0.972 119.462 120.400 0.056 0.000 2.349 331 D HA -0.067 4.564 4.640 -0.016 0.000 0.224 331 D C 1.067 177.414 176.300 0.080 0.000 1.029 331 D CA 1.409 55.441 54.000 0.053 0.000 0.879 331 D CB -0.683 40.137 40.800 0.034 0.000 0.906 331 D HN 0.479 nan 8.370 nan 0.000 0.528 332 T N -2.287 112.348 114.554 0.135 0.000 3.132 332 T HA 0.303 4.644 4.350 -0.016 0.000 0.274 332 T C 1.378 176.187 174.700 0.181 0.000 1.011 332 T CA -0.418 61.781 62.100 0.165 0.000 0.899 332 T CB -0.249 68.762 68.868 0.238 0.000 1.089 332 T HN 0.072 nan 8.240 nan 0.000 0.543 333 L N 0.834 122.126 121.223 0.114 0.000 2.693 333 L HA 0.427 4.757 4.340 -0.016 0.000 0.235 333 L C 1.762 178.667 176.870 0.059 0.000 1.127 333 L CA 0.094 54.978 54.840 0.073 0.000 0.914 333 L CB -0.193 41.874 42.059 0.014 0.000 1.193 333 L HN 0.554 nan 8.230 nan 0.000 0.502 334 G N 0.754 109.588 108.800 0.055 0.000 2.225 334 G HA2 -0.268 3.682 3.960 -0.016 0.000 0.267 334 G HA3 -0.268 3.682 3.960 -0.016 0.000 0.267 334 G C 0.947 175.854 174.900 0.011 0.000 1.024 334 G CA 0.473 45.595 45.100 0.037 0.000 0.784 334 G HN 0.695 nan 8.290 nan 0.000 0.507 335 G N -1.944 106.862 108.800 0.011 0.000 2.149 335 G HA2 0.022 3.973 3.960 -0.016 0.000 0.235 335 G HA3 0.022 3.973 3.960 -0.016 0.000 0.235 335 G C 0.445 175.343 174.900 -0.003 0.000 1.018 335 G CA 0.411 45.509 45.100 -0.004 0.000 0.728 335 G HN 1.916 nan 8.290 nan 0.000 0.508 336 L N 0.610 121.844 121.223 0.019 0.000 2.578 336 L HA 0.478 4.808 4.340 -0.016 0.000 0.279 336 L C 0.317 177.209 176.870 0.036 0.000 1.227 336 L CA 0.302 55.165 54.840 0.039 0.000 0.900 336 L CB 0.993 43.102 42.059 0.082 0.000 1.144 336 L HN 0.222 nan 8.230 nan 0.000 0.496 337 V N 5.715 125.639 119.914 0.016 0.000 2.444 337 V HA 0.866 4.976 4.120 -0.016 0.000 0.294 337 V C 0.041 176.134 176.094 -0.001 0.000 1.022 337 V CA -0.080 62.222 62.300 0.002 0.000 0.850 337 V CB 0.937 32.735 31.823 -0.041 0.000 0.992 337 V HN 1.057 nan 8.190 nan 0.000 0.426 338 A N 3.664 126.502 122.820 0.030 0.000 2.475 338 A HA 0.946 5.256 4.320 -0.016 0.000 0.301 338 A C -0.218 177.356 177.584 -0.016 0.000 1.059 338 A CA -0.393 51.649 52.037 0.007 0.000 0.710 338 A CB 1.757 20.811 19.000 0.090 0.000 1.288 338 A HN 1.367 nan 8.150 nan 0.000 0.408 339 A N 1.218 123.973 122.820 -0.108 0.000 2.354 339 A HA 0.636 4.947 4.320 -0.016 0.000 0.281 339 A C 0.750 178.201 177.584 -0.222 0.000 1.174 339 A CA 0.319 52.317 52.037 -0.065 0.000 0.828 339 A CB -0.274 18.748 19.000 0.036 0.000 1.099 339 A HN 2.222 nan 8.150 nan 0.000 0.516 340 A N 2.714 125.513 122.820 -0.035 0.000 2.406 340 A HA 0.478 4.788 4.320 -0.016 0.000 0.243 340 A C 0.286 177.799 177.584 -0.117 0.000 1.082 340 A CA -0.102 51.949 52.037 0.023 0.000 0.786 340 A CB 0.113 19.201 19.000 0.146 0.000 1.029 340 A HN 0.798 nan 8.150 nan 0.000 0.495 341 E N 1.424 121.612 120.200 -0.020 0.000 3.037 341 E HA 0.184 4.525 4.350 -0.016 0.000 0.220 341 E C -2.144 174.522 176.600 0.110 0.000 1.142 341 E CA -1.437 54.954 56.400 -0.015 0.000 0.888 341 E CB 1.199 30.828 29.700 -0.118 0.000 1.329 341 E HN 0.516 nan 8.360 nan 0.000 0.409 342 P HA 0.030 nan 4.420 nan 0.000 0.240 342 P C 0.393 177.709 177.300 0.027 0.000 1.190 342 P CA 0.359 63.506 63.100 0.078 0.000 0.781 342 P CB 0.666 32.422 31.700 0.093 0.000 0.931 343 G N -0.479 108.306 108.800 -0.025 0.000 2.662 343 G HA2 0.540 4.490 3.960 -0.016 0.000 0.302 343 G HA3 0.540 4.490 3.960 -0.016 0.000 0.302 343 G C -1.686 173.276 174.900 0.104 0.000 1.389 343 G CA -0.273 44.821 45.100 -0.012 0.000 0.998 343 G HN -0.110 nan 8.290 nan 0.000 0.502 344 V N 1.486 121.500 119.914 0.166 0.000 2.760 344 V HA 0.750 4.861 4.120 -0.016 0.000 0.309 344 V C -0.693 175.507 176.094 0.177 0.000 1.077 344 V CA -0.900 61.522 62.300 0.204 0.000 0.910 344 V CB 1.749 33.653 31.823 0.136 0.000 1.008 344 V HN 0.719 nan 8.190 nan 0.000 0.424 345 V N 3.788 123.757 119.914 0.091 0.000 2.789 345 V HA 0.971 5.082 4.120 -0.016 0.000 0.311 345 V C -0.452 175.613 176.094 -0.050 0.000 1.073 345 V CA 0.198 62.486 62.300 -0.020 0.000 0.921 345 V CB 2.513 34.233 31.823 -0.173 0.000 1.009 345 V HN 1.222 nan 8.190 nan 0.000 0.426 346 S N 4.413 120.148 115.700 0.058 0.000 2.625 346 S HA 0.763 5.223 4.470 -0.016 0.000 0.271 346 S C -1.666 173.092 174.600 0.264 0.000 1.161 346 S CA -0.755 57.501 58.200 0.093 0.000 0.820 346 S CB 1.773 65.007 63.200 0.056 0.000 1.137 346 S HN 1.212 nan 8.310 nan 0.000 0.470 347 W N 1.631 122.977 121.300 0.078 0.000 2.998 347 W HA 0.707 5.357 4.660 -0.016 0.000 0.335 347 W C -1.032 175.573 176.519 0.143 0.000 1.110 347 W CA -0.052 57.358 57.345 0.108 0.000 1.230 347 W CB 2.067 31.536 29.460 0.014 0.000 1.405 347 W HN 1.152 nan 8.180 nan 0.000 0.493 348 S N 4.394 119.643 115.700 -0.752 0.000 2.564 348 S HA 0.703 5.163 4.470 -0.016 0.000 0.274 348 S C -3.061 170.521 174.600 -1.696 0.000 1.124 348 S CA -1.777 55.820 58.200 -1.005 0.000 0.869 348 S CB 2.286 65.319 63.200 -0.279 0.000 1.105 348 S HN 0.225 nan 8.310 nan 0.000 0.472 349 P HA 0.268 nan 4.420 nan 0.000 0.267 349 P C 0.705 177.691 177.300 -0.524 0.000 1.205 349 P CA -0.136 62.404 63.100 -0.933 0.000 0.765 349 P CB 0.437 31.813 31.700 -0.540 0.000 0.828 350 A N 4.247 126.845 122.820 -0.370 0.000 1.978 350 A HA -0.157 4.153 4.320 -0.016 0.000 0.220 350 A C 1.917 179.403 177.584 -0.164 0.000 1.170 350 A CA 2.102 53.997 52.037 -0.236 0.000 0.636 350 A CB -1.300 17.601 19.000 -0.166 0.000 0.810 350 A HN 0.546 nan 8.150 nan 0.000 0.448 351 A N -1.028 121.706 122.820 -0.144 0.000 2.275 351 A HA 0.624 4.935 4.320 -0.016 0.000 0.212 351 A C 1.205 178.729 177.584 -0.101 0.000 1.201 351 A CA 0.604 52.581 52.037 -0.100 0.000 0.843 351 A CB -0.724 18.235 19.000 -0.069 0.000 0.873 351 A HN 0.941 nan 8.150 nan 0.000 0.492 352 A N 0.256 122.994 122.820 -0.137 0.000 2.462 352 A HA 0.505 4.815 4.320 -0.016 0.000 0.243 352 A C 1.032 178.558 177.584 -0.098 0.000 1.076 352 A CA 0.236 52.209 52.037 -0.106 0.000 0.773 352 A CB -0.274 18.653 19.000 -0.122 0.000 1.010 352 A HN 0.799 nan 8.150 nan 0.000 0.493 353 G N -0.162 108.592 108.800 -0.077 0.000 2.684 353 G HA2 0.265 4.215 3.960 -0.016 0.000 0.255 353 G HA3 0.265 4.215 3.960 -0.016 0.000 0.255 353 G C 0.721 175.526 174.900 -0.158 0.000 1.219 353 G CA 0.408 45.449 45.100 -0.097 0.000 0.901 353 G HN 0.945 nan 8.290 nan 0.000 0.548 354 E N -0.269 119.798 120.200 -0.221 0.000 2.058 354 E HA -0.150 4.191 4.350 -0.016 0.000 0.194 354 E C 2.420 178.692 176.600 -0.547 0.000 0.997 354 E CA 0.791 56.920 56.400 -0.450 0.000 0.801 354 E CB -0.141 29.321 29.700 -0.397 0.000 0.746 354 E HN 0.494 nan 8.360 nan 0.000 0.450 355 L N 0.997 122.074 121.223 -0.244 0.000 2.012 355 L HA -0.232 4.098 4.340 -0.016 0.000 0.210 355 L C 2.289 179.179 176.870 0.034 0.000 1.073 355 L CA 1.508 56.304 54.840 -0.073 0.000 0.748 355 L CB -0.459 41.598 42.059 -0.004 0.000 0.891 355 L HN 0.210 nan 8.230 nan 0.000 0.431 356 D N -0.675 119.745 120.400 0.034 0.000 2.117 356 D HA -0.129 4.502 4.640 -0.016 0.000 0.198 356 D C 2.381 178.883 176.300 0.338 0.000 0.982 356 D CA 1.209 55.326 54.000 0.194 0.000 0.828 356 D CB -0.041 40.859 40.800 0.167 0.000 0.967 356 D HN 0.149 nan 8.370 nan 0.000 0.464 357 S N 0.107 115.857 115.700 0.084 0.000 2.370 357 S HA -0.170 4.291 4.470 -0.016 0.000 0.226 357 S C 1.744 176.406 174.600 0.105 0.000 1.033 357 S CA 0.999 59.213 58.200 0.023 0.000 1.011 357 S CB -0.277 62.816 63.200 -0.178 0.000 0.852 357 S HN 0.351 nan 8.310 nan 0.000 0.457 358 H N -0.876 118.172 119.070 -0.038 0.000 2.321 358 H HA -0.066 4.481 4.556 -0.016 0.000 0.300 358 H C 1.738 177.151 175.328 0.143 0.000 1.087 358 H CA 1.101 57.121 56.048 -0.047 0.000 1.319 358 H CB -0.774 28.946 29.762 -0.070 0.000 1.379 358 H HN 0.590 nan 8.280 nan 0.000 0.501 359 W N 0.744 122.145 121.300 0.168 0.000 2.355 359 W HA -0.210 4.441 4.660 -0.016 0.000 0.309 359 W C 1.930 178.489 176.519 0.066 0.000 1.206 359 W CA 1.415 58.807 57.345 0.080 0.000 1.284 359 W CB -0.765 28.689 29.460 -0.009 0.000 1.145 359 W HN -0.007 nan 8.180 nan 0.000 0.502 360 F N 0.728 120.880 119.950 0.336 0.000 2.126 360 F HA -0.183 4.334 4.527 -0.016 0.000 0.299 360 F C 2.581 178.367 175.800 -0.023 0.000 1.096 360 F CA 2.288 60.401 58.000 0.188 0.000 1.255 360 F CB -0.818 38.354 39.000 0.287 0.000 0.997 360 F HN -0.209 nan 8.300 nan 0.000 0.479 361 R N 0.076 120.673 120.500 0.163 0.000 2.075 361 R HA -0.143 4.187 4.340 -0.016 0.000 0.232 361 R C 2.065 178.336 176.300 -0.048 0.000 1.126 361 R CA 1.559 57.684 56.100 0.041 0.000 0.963 361 R CB -0.517 29.774 30.300 -0.014 0.000 0.858 361 R HN 0.387 nan 8.270 nan 0.000 0.435 362 E N 0.402 120.549 120.200 -0.089 0.000 2.077 362 E HA -0.206 4.134 4.350 -0.016 0.000 0.193 362 E C 2.159 178.588 176.600 -0.285 0.000 0.989 362 E CA 0.905 57.198 56.400 -0.177 0.000 0.800 362 E CB 0.040 29.635 29.700 -0.176 0.000 0.746 362 E HN 0.310 nan 8.360 nan 0.000 0.452 363 Q N -0.199 119.328 119.800 -0.456 0.000 2.046 363 Q HA -0.103 4.228 4.340 -0.016 0.000 0.200 363 Q C 2.356 178.060 176.000 -0.492 0.000 0.975 363 Q CA 1.948 57.416 55.803 -0.559 0.000 0.836 363 Q CB -0.454 27.796 28.738 -0.814 0.000 0.896 363 Q HN 0.407 nan 8.270 nan 0.000 0.428 364 T N -2.469 111.846 114.554 -0.399 0.000 3.107 364 T HA 0.233 4.574 4.350 -0.016 0.000 0.249 364 T C 0.932 175.511 174.700 -0.201 0.000 1.096 364 T CA 0.182 62.083 62.100 -0.332 0.000 1.012 364 T CB -0.142 68.637 68.868 -0.149 0.000 0.977 364 T HN 0.165 nan 8.240 nan 0.000 0.527 365 G N 0.242 108.947 108.800 -0.158 0.000 2.340 365 G HA2 0.479 4.429 3.960 -0.016 0.000 0.245 365 G HA3 0.479 4.429 3.960 -0.016 0.000 0.245 365 G C 0.077 174.915 174.900 -0.104 0.000 1.294 365 G CA -0.151 44.885 45.100 -0.107 0.000 0.896 365 G HN 0.648 nan 8.290 nan 0.000 0.522 366 G N 0.395 109.125 108.800 -0.117 0.000 2.620 366 G HA2 0.610 4.560 3.960 -0.016 0.000 0.301 366 G HA3 0.610 4.560 3.960 -0.016 0.000 0.301 366 G C -1.011 174.056 174.900 0.279 0.000 1.347 366 G CA -0.767 44.314 45.100 -0.032 0.000 0.971 366 G HN 0.679 nan 8.290 nan 0.000 0.488 367 I N 1.162 122.002 120.570 0.449 0.000 2.533 367 I HA 0.352 4.512 4.170 -0.016 0.000 0.290 367 I C -0.504 175.739 176.117 0.210 0.000 1.056 367 I CA -0.748 60.750 61.300 0.330 0.000 1.057 367 I CB 2.418 40.511 38.000 0.155 0.000 1.240 367 I HN 0.105 nan 8.210 nan 0.000 0.423 368 L N 5.975 127.184 121.223 -0.024 0.000 2.265 368 L HA 0.514 4.845 4.340 -0.016 0.000 0.288 368 L C 0.058 176.914 176.870 -0.024 0.000 1.058 368 L CA -0.379 54.313 54.840 -0.247 0.000 0.809 368 L CB 1.109 42.743 42.059 -0.708 0.000 1.179 368 L HN 0.567 nan 8.230 nan 0.000 0.429 369 R N 3.629 124.210 120.500 0.134 0.000 2.445 369 R HA 0.190 4.520 4.340 -0.016 0.000 0.308 369 R C -0.065 176.446 176.300 0.351 0.000 0.961 369 R CA -0.664 55.540 56.100 0.172 0.000 0.862 369 R CB 1.370 31.734 30.300 0.106 0.000 1.144 369 R HN 0.617 nan 8.270 nan 0.000 0.447 370 E N 3.748 124.104 120.200 0.260 0.000 2.694 370 E HA -0.200 4.141 4.350 -0.016 0.000 0.250 370 E C -0.763 175.931 176.600 0.157 0.000 0.963 370 E CA 0.179 56.682 56.400 0.171 0.000 0.949 370 E CB 0.400 30.175 29.700 0.124 0.000 0.911 370 E HN 0.444 nan 8.360 nan 0.000 0.500 371 N N 5.558 124.172 118.700 -0.143 0.000 2.434 371 N HA -0.072 4.658 4.740 -0.016 0.000 0.273 371 N C 0.508 175.835 175.510 -0.305 0.000 1.210 371 N CA -0.215 52.587 53.050 -0.413 0.000 0.992 371 N CB -0.383 37.722 38.487 -0.635 0.000 1.355 371 N HN 0.522 nan 8.380 nan 0.000 0.495 372 F N 0.673 120.642 119.950 0.031 0.000 2.333 372 F HA -0.030 4.487 4.527 -0.017 0.000 0.300 372 F C 2.004 177.763 175.800 -0.069 0.000 1.083 372 F CA -0.190 57.792 58.000 -0.029 0.000 1.395 372 F CB -0.967 38.017 39.000 -0.026 0.000 1.056 372 F HN 0.299 nan 8.300 nan 0.000 0.529 373 C N 1.423 120.563 119.300 -0.267 0.000 2.419 373 C HA -0.116 4.334 4.460 -0.016 0.000 0.281 373 C C 2.898 177.867 174.990 -0.036 0.000 1.336 373 C CA 0.522 59.487 59.018 -0.088 0.000 1.770 373 C CB -1.055 26.624 27.740 -0.101 0.000 1.929 373 C HN 0.457 nan 8.230 nan 0.000 0.509 374 R N 1.032 121.475 120.500 -0.094 0.000 2.083 374 R HA -0.103 4.227 4.340 -0.016 0.000 0.237 374 R C 2.234 178.515 176.300 -0.031 0.000 1.137 374 R CA 1.336 57.387 56.100 -0.081 0.000 0.951 374 R CB -0.652 29.564 30.300 -0.139 0.000 0.851 374 R HN 0.628 nan 8.270 nan 0.000 0.434 375 R N 0.049 120.547 120.500 -0.004 0.000 2.061 375 R HA -0.065 4.265 4.340 -0.016 0.000 0.230 375 R C 2.428 178.747 176.300 0.032 0.000 1.140 375 R CA 2.021 58.132 56.100 0.019 0.000 0.940 375 R CB -0.542 29.784 30.300 0.043 0.000 0.839 375 R HN 0.429 nan 8.270 nan 0.000 0.429 376 T N -2.415 112.181 114.554 0.069 0.000 3.054 376 T HA 0.195 4.535 4.350 -0.016 0.000 0.259 376 T C 0.828 175.559 174.700 0.051 0.000 1.092 376 T CA 0.430 62.569 62.100 0.066 0.000 1.121 376 T CB 0.391 69.322 68.868 0.105 0.000 0.912 376 T HN 0.471 nan 8.240 nan 0.000 0.489 377 G N 0.434 109.269 108.800 0.059 0.000 3.172 377 G HA2 0.234 4.185 3.960 -0.016 0.000 0.686 377 G HA3 0.234 4.185 3.960 -0.016 0.000 0.686 377 G C 0.650 175.613 174.900 0.105 0.000 1.009 377 G CA -0.472 44.665 45.100 0.062 0.000 0.787 377 G HN 0.822 nan 8.290 nan 0.000 0.559 378 A N 1.409 124.314 122.820 0.142 0.000 1.940 378 A HA 0.027 4.337 4.320 -0.016 0.000 0.219 378 A C 1.927 179.656 177.584 0.243 0.000 1.176 378 A CA 2.185 54.356 52.037 0.223 0.000 0.631 378 A CB -0.203 18.949 19.000 0.254 0.000 0.814 378 A HN 0.838 nan 8.150 nan 0.000 0.446 379 E N -1.014 119.298 120.200 0.186 0.000 2.502 379 E HA -0.001 4.339 4.350 -0.016 0.000 0.194 379 E C 1.319 177.975 176.600 0.094 0.000 1.062 379 E CA 0.148 56.626 56.400 0.130 0.000 0.867 379 E CB 0.075 29.838 29.700 0.105 0.000 0.888 379 E HN 0.553 nan 8.360 nan 0.000 0.510 380 R N -0.178 120.338 120.500 0.026 0.000 2.437 380 R HA 0.201 4.531 4.340 -0.016 0.000 0.257 380 R C -0.008 176.294 176.300 0.002 0.000 0.927 380 R CA 0.005 55.973 56.100 -0.221 0.000 1.078 380 R CB 1.072 31.236 30.300 -0.227 0.000 1.161 380 R HN -0.151 nan 8.270 nan 0.000 0.529 381 S N 1.146 116.959 115.700 0.189 0.000 2.519 381 S HA 0.553 5.014 4.470 -0.016 0.000 0.309 381 S C -0.560 174.251 174.600 0.351 0.000 1.100 381 S CA -0.555 57.797 58.200 0.254 0.000 1.059 381 S CB 1.790 65.133 63.200 0.239 0.000 1.008 381 S HN 0.080 nan 8.310 nan 0.000 0.478 382 I N 2.920 123.651 120.570 0.269 0.000 2.512 382 I HA 0.311 4.472 4.170 -0.016 0.000 0.287 382 I C -0.214 175.967 176.117 0.108 0.000 1.069 382 I CA -0.557 60.832 61.300 0.147 0.000 1.056 382 I CB 1.773 39.735 38.000 -0.063 0.000 1.229 382 I HN 0.448 nan 8.210 nan 0.000 0.429 383 M N 4.759 124.424 119.600 0.109 0.000 2.260 383 M HA 0.117 4.587 4.480 -0.016 0.000 0.348 383 M C 1.075 177.332 176.300 -0.071 0.000 1.342 383 M CA 0.542 55.872 55.300 0.050 0.000 1.040 383 M CB 1.281 33.888 32.600 0.013 0.000 1.810 383 M HN 0.922 nan 8.290 nan 0.000 0.453 384 A N 5.176 127.980 122.820 -0.027 0.000 1.969 384 A HA 0.023 4.333 4.320 -0.016 0.000 0.218 384 A C 1.837 179.371 177.584 -0.083 0.000 1.169 384 A CA 1.673 53.679 52.037 -0.053 0.000 0.635 384 A CB -1.099 18.013 19.000 0.186 0.000 0.810 384 A HN 1.027 nan 8.150 nan 0.000 0.445 385 G N -0.528 108.226 108.800 -0.077 0.000 2.476 385 G HA2 -0.230 3.720 3.960 -0.016 0.000 0.218 385 G HA3 -0.230 3.720 3.960 -0.016 0.000 0.218 385 G C 1.589 176.422 174.900 -0.111 0.000 1.164 385 G CA 1.765 46.816 45.100 -0.081 0.000 0.768 385 G HN 0.437 nan 8.290 nan 0.000 0.560 386 T N 1.171 115.615 114.554 -0.184 0.000 2.777 386 T HA -0.099 4.241 4.350 -0.016 0.000 0.266 386 T C 2.249 176.768 174.700 -0.301 0.000 1.040 386 T CA 1.052 63.003 62.100 -0.248 0.000 1.141 386 T CB -0.310 68.376 68.868 -0.303 0.000 0.868 386 T HN 0.104 nan 8.240 nan 0.000 0.444 387 L N 0.800 121.768 121.223 -0.424 0.000 2.051 387 L HA -0.099 4.231 4.340 -0.016 0.000 0.214 387 L C 1.089 177.534 176.870 -0.708 0.000 1.076 387 L CA 1.859 56.273 54.840 -0.710 0.000 0.758 387 L CB -0.729 40.725 42.059 -1.008 0.000 0.890 387 L HN 0.246 nan 8.230 nan 0.000 0.433 388 F N -0.473 119.387 119.950 -0.149 0.000 2.668 388 F HA 0.513 5.028 4.527 -0.019 0.000 0.297 388 F C 0.906 176.672 175.800 -0.056 0.000 1.124 388 F CA -0.131 57.803 58.000 -0.110 0.000 1.353 388 F CB -1.054 37.885 39.000 -0.100 0.000 0.992 388 F HN 0.057 nan 8.300 nan 0.000 0.524 389 A N 0.213 123.056 122.820 0.039 0.000 2.261 389 A HA 0.815 5.125 4.320 -0.016 0.000 0.323 389 A C 0.152 177.810 177.584 0.123 0.000 1.107 389 A CA -0.755 51.332 52.037 0.083 0.000 0.883 389 A CB 0.788 19.805 19.000 0.028 0.000 1.251 389 A HN 0.266 nan 8.150 nan 0.000 0.502 390 R N -0.526 120.113 120.500 0.231 0.000 2.404 390 R HA 0.490 4.821 4.340 -0.016 0.000 0.291 390 R C 0.766 177.337 176.300 0.453 0.000 1.025 390 R CA 0.453 56.719 56.100 0.278 0.000 0.991 390 R CB 1.398 31.818 30.300 0.200 0.000 1.053 390 R HN 0.885 nan 8.270 nan 0.000 0.479 391 G N -0.084 108.937 108.800 0.368 0.000 2.535 391 G HA2 0.196 4.146 3.960 -0.016 0.000 0.282 391 G HA3 0.196 4.146 3.960 -0.016 0.000 0.282 391 G C 0.942 176.140 174.900 0.497 0.000 1.350 391 G CA -0.323 45.050 45.100 0.455 0.000 1.039 391 G HN 0.499 nan 8.290 nan 0.000 0.509 392 V N -1.530 118.534 119.914 0.250 0.000 3.026 392 V HA -0.039 4.071 4.120 -0.016 0.000 0.265 392 V C 1.582 177.734 176.094 0.097 0.000 1.121 392 V CA 2.093 64.413 62.300 0.033 0.000 1.142 392 V CB -0.681 30.975 31.823 -0.278 0.000 0.730 392 V HN 0.622 nan 8.190 nan 0.000 0.503 393 D N -0.246 120.222 120.400 0.113 0.000 2.328 393 D HA 0.054 4.685 4.640 -0.016 0.000 0.221 393 D C 1.151 177.499 176.300 0.079 0.000 1.072 393 D CA -0.218 53.826 54.000 0.073 0.000 0.850 393 D CB -0.198 40.633 40.800 0.053 0.000 0.922 393 D HN 0.448 nan 8.370 nan 0.000 0.516 394 L N -1.165 120.137 121.223 0.131 0.000 4.291 394 L HA -0.226 4.104 4.340 -0.016 0.000 0.413 394 L C -0.476 176.438 176.870 0.074 0.000 1.162 394 L CA 0.624 55.502 54.840 0.063 0.000 0.961 394 L CB -1.151 40.889 42.059 -0.031 0.000 2.095 394 L HN 0.241 nan 8.230 nan 0.000 0.838 395 Q N -0.156 119.699 119.800 0.093 0.000 2.266 395 Q HA 0.459 4.789 4.340 -0.016 0.000 0.261 395 Q C -2.190 173.862 176.000 0.087 0.000 0.985 395 Q CA -2.079 53.762 55.803 0.063 0.000 0.873 395 Q CB 1.242 30.003 28.738 0.037 0.000 1.306 395 Q HN -0.112 nan 8.270 nan 0.000 0.447 396 P HA 0.061 nan 4.420 nan 0.000 0.261 396 P C 0.431 177.754 177.300 0.039 0.000 1.203 396 P CA 0.530 63.672 63.100 0.070 0.000 0.767 396 P CB 0.306 32.042 31.700 0.060 0.000 0.785 397 M N 3.141 122.762 119.600 0.034 0.000 2.446 397 M HA -0.121 4.349 4.480 -0.016 0.000 0.263 397 M C 1.836 178.128 176.300 -0.014 0.000 1.066 397 M CA 1.429 56.739 55.300 0.016 0.000 1.087 397 M CB -0.422 32.175 32.600 -0.006 0.000 1.406 397 M HN 0.401 nan 8.290 nan 0.000 0.459 398 I N 0.307 120.835 120.570 -0.070 0.000 2.394 398 I HA -0.293 3.867 4.170 -0.016 0.000 0.251 398 I C 2.375 178.468 176.117 -0.040 0.000 1.136 398 I CA 1.154 62.387 61.300 -0.112 0.000 1.425 398 I CB -0.031 37.839 38.000 -0.218 0.000 1.079 398 I HN 0.335 nan 8.210 nan 0.000 0.425 399 Q N 0.263 120.035 119.800 -0.047 0.000 2.030 399 Q HA -0.232 4.098 4.340 -0.016 0.000 0.204 399 Q C 2.288 178.269 176.000 -0.031 0.000 0.986 399 Q CA 2.644 58.411 55.803 -0.060 0.000 0.843 399 Q CB -1.074 27.634 28.738 -0.050 0.000 0.904 399 Q HN 0.640 nan 8.270 nan 0.000 0.420 400 T N -1.596 112.965 114.554 0.011 0.000 2.904 400 T HA -0.092 4.248 4.350 -0.016 0.000 0.267 400 T C 1.761 176.486 174.700 0.042 0.000 1.059 400 T CA 0.792 62.902 62.100 0.017 0.000 1.137 400 T CB -0.620 68.263 68.868 0.024 0.000 0.879 400 T HN 0.214 nan 8.240 nan 0.000 0.467 401 F N 2.105 122.020 119.950 -0.059 0.000 2.091 401 F HA -0.004 4.512 4.527 -0.019 0.000 0.299 401 F C 1.936 177.771 175.800 0.058 0.000 1.103 401 F CA 1.342 59.331 58.000 -0.017 0.000 1.228 401 F CB -0.337 38.626 39.000 -0.061 0.000 0.984 401 F HN 0.071 nan 8.300 nan 0.000 0.477 402 L N -0.110 121.091 121.223 -0.036 0.000 2.044 402 L HA -0.139 4.191 4.340 -0.016 0.000 0.205 402 L C 2.738 179.551 176.870 -0.094 0.000 1.075 402 L CA 1.312 56.052 54.840 -0.167 0.000 0.747 402 L CB -0.744 41.109 42.059 -0.344 0.000 0.903 402 L HN 0.086 nan 8.230 nan 0.000 0.435 403 R N -0.268 120.176 120.500 -0.092 0.000 2.127 403 R HA -0.162 4.168 4.340 -0.016 0.000 0.238 403 R C 2.136 178.424 176.300 -0.019 0.000 1.134 403 R CA 1.922 57.997 56.100 -0.042 0.000 0.975 403 R CB -0.183 30.089 30.300 -0.046 0.000 0.865 403 R HN 0.306 nan 8.270 nan 0.000 0.447 404 T N -0.320 114.184 114.554 -0.083 0.000 2.737 404 T HA -0.091 4.249 4.350 -0.016 0.000 0.265 404 T C 1.518 176.122 174.700 -0.159 0.000 1.038 404 T CA 0.960 62.969 62.100 -0.151 0.000 1.144 404 T CB -0.243 68.473 68.868 -0.253 0.000 0.866 404 T HN 0.381 nan 8.240 nan 0.000 0.434 405 H N -0.637 118.362 119.070 -0.118 0.000 2.428 405 H HA 0.033 4.579 4.556 -0.017 0.000 0.296 405 H C 1.328 176.685 175.328 0.048 0.000 1.062 405 H CA 1.040 57.044 56.048 -0.073 0.000 1.350 405 H CB -0.020 29.634 29.762 -0.179 0.000 1.403 405 H HN 0.388 nan 8.280 nan 0.000 0.533 406 Y N -0.162 120.151 120.300 0.023 0.000 2.466 406 Y HA 0.185 4.727 4.550 -0.013 0.000 0.272 406 Y C 1.955 177.857 175.900 0.003 0.000 1.169 406 Y CA 0.361 58.477 58.100 0.027 0.000 1.285 406 Y CB 0.282 38.760 38.460 0.029 0.000 1.078 406 Y HN 0.294 nan 8.280 nan 0.000 0.523 407 G N 0.773 109.637 108.800 0.106 0.000 2.196 407 G HA2 -0.327 3.624 3.960 -0.016 0.000 0.268 407 G HA3 -0.327 3.624 3.960 -0.016 0.000 0.268 407 G C 0.120 175.047 174.900 0.045 0.000 0.975 407 G CA 0.906 46.032 45.100 0.044 0.000 0.648 407 G HN 0.505 nan 8.290 nan 0.000 0.538 408 E N -2.033 118.211 120.200 0.073 0.000 2.416 408 E HA 0.675 5.015 4.350 -0.016 0.000 0.280 408 E C -0.157 176.465 176.600 0.037 0.000 1.055 408 E CA -0.720 55.708 56.400 0.047 0.000 0.825 408 E CB 0.391 30.121 29.700 0.050 0.000 1.312 408 E HN 1.314 nan 8.360 nan 0.000 0.452 409 A N 1.639 124.465 122.820 0.010 0.000 2.545 409 A HA 0.258 4.568 4.320 -0.016 0.000 0.253 409 A C -0.318 177.259 177.584 -0.013 0.000 1.074 409 A CA -0.115 51.915 52.037 -0.012 0.000 0.760 409 A CB -0.387 18.605 19.000 -0.013 0.000 1.005 409 A HN 0.403 nan 8.150 nan 0.000 0.506 410 L N 4.138 125.328 121.223 -0.056 0.000 2.361 410 L HA 0.189 4.520 4.340 -0.016 0.000 0.278 410 L C 0.732 177.583 176.870 -0.031 0.000 1.113 410 L CA 0.141 54.940 54.840 -0.069 0.000 0.849 410 L CB 0.449 42.391 42.059 -0.194 0.000 1.155 410 L HN 0.832 nan 8.230 nan 0.000 0.452 411 D N 1.184 121.586 120.400 0.004 0.000 2.398 411 D HA 0.009 4.639 4.640 -0.016 0.000 0.247 411 D C 0.539 176.852 176.300 0.022 0.000 1.227 411 D CA -0.448 53.560 54.000 0.012 0.000 0.980 411 D CB 0.595 41.409 40.800 0.023 0.000 1.106 411 D HN 0.389 nan 8.370 nan 0.000 0.493 412 D N -0.312 120.102 120.400 0.024 0.000 2.116 412 D HA -0.190 4.441 4.640 -0.016 0.000 0.193 412 D C 1.521 177.864 176.300 0.071 0.000 0.998 412 D CA 1.157 55.178 54.000 0.035 0.000 0.836 412 D CB -0.254 40.564 40.800 0.029 0.000 0.951 412 D HN 0.396 nan 8.370 nan 0.000 0.449 413 N N 0.592 119.339 118.700 0.079 0.000 2.104 413 N HA -0.128 4.602 4.740 -0.016 0.000 0.190 413 N C 1.782 177.397 175.510 0.176 0.000 1.024 413 N CA 1.297 54.417 53.050 0.117 0.000 0.853 413 N CB -0.320 38.216 38.487 0.082 0.000 1.008 413 N HN 0.160 nan 8.380 nan 0.000 0.424 414 A N 1.309 124.214 122.820 0.142 0.000 1.933 414 A HA -0.051 4.259 4.320 -0.016 0.000 0.218 414 A C 2.419 180.136 177.584 0.222 0.000 1.175 414 A CA 0.884 53.036 52.037 0.192 0.000 0.628 414 A CB -0.613 18.453 19.000 0.111 0.000 0.814 414 A HN 0.193 nan 8.150 nan 0.000 0.444 415 L N -0.920 120.386 121.223 0.138 0.000 2.072 415 L HA -0.116 4.214 4.340 -0.016 0.000 0.205 415 L C 2.544 179.585 176.870 0.285 0.000 1.079 415 L CA 0.876 55.805 54.840 0.148 0.000 0.752 415 L CB -0.462 41.620 42.059 0.039 0.000 0.906 415 L HN 0.365 nan 8.230 nan 0.000 0.436 416 L N -1.712 119.658 121.223 0.246 0.000 2.056 416 L HA -0.261 4.069 4.340 -0.016 0.000 0.207 416 L C 2.582 179.671 176.870 0.364 0.000 1.078 416 L CA 1.343 56.351 54.840 0.279 0.000 0.749 416 L CB -0.625 41.551 42.059 0.195 0.000 0.901 416 L HN 0.166 nan 8.230 nan 0.000 0.433 417 Y N -0.638 119.801 120.300 0.233 0.000 2.145 417 Y HA -0.332 4.207 4.550 -0.017 0.000 0.286 417 Y C 2.430 178.482 175.900 0.253 0.000 1.145 417 Y CA 1.679 59.905 58.100 0.211 0.000 1.148 417 Y CB -0.447 38.128 38.460 0.192 0.000 0.981 417 Y HN 0.168 nan 8.280 nan 0.000 0.507 418 W N -0.162 121.321 121.300 0.304 0.000 2.318 418 W HA -0.346 4.308 4.660 -0.010 0.000 0.313 418 W C 2.331 178.964 176.519 0.190 0.000 1.221 418 W CA 2.498 59.987 57.345 0.240 0.000 1.266 418 W CB -0.894 28.691 29.460 0.209 0.000 1.150 418 W HN 0.211 nan 8.180 nan 0.000 0.496 419 F N 1.196 121.418 119.950 0.452 0.000 2.134 419 F HA -0.254 4.265 4.527 -0.014 0.000 0.299 419 F C 2.223 178.065 175.800 0.070 0.000 1.097 419 F CA 2.388 60.574 58.000 0.310 0.000 1.264 419 F CB -0.710 38.417 39.000 0.212 0.000 1.001 419 F HN -0.214 nan 8.300 nan 0.000 0.479 420 D N 0.647 121.001 120.400 -0.078 0.000 2.104 420 D HA -0.193 4.437 4.640 -0.016 0.000 0.194 420 D C 1.801 177.870 176.300 -0.385 0.000 0.994 420 D CA 1.612 55.457 54.000 -0.258 0.000 0.830 420 D CB -0.397 40.315 40.800 -0.146 0.000 0.959 420 D HN 0.320 nan 8.370 nan 0.000 0.452 421 D N -0.936 119.218 120.400 -0.410 0.000 2.117 421 D HA -0.173 4.458 4.640 -0.016 0.000 0.197 421 D C 1.875 177.905 176.300 -0.450 0.000 0.987 421 D CA 0.648 54.393 54.000 -0.424 0.000 0.829 421 D CB -0.460 40.083 40.800 -0.428 0.000 0.961 421 D HN 0.356 nan 8.370 nan 0.000 0.460 422 Y N 1.611 121.510 120.300 -0.668 0.000 2.109 422 Y HA -0.273 4.269 4.550 -0.013 0.000 0.285 422 Y C 2.508 178.124 175.900 -0.474 0.000 1.131 422 Y CA 2.312 60.055 58.100 -0.595 0.000 1.121 422 Y CB -0.207 37.885 38.460 -0.614 0.000 0.987 422 Y HN -0.027 nan 8.280 nan 0.000 0.495 423 Q N -1.284 118.166 119.800 -0.584 0.000 2.170 423 Q HA -0.142 4.188 4.340 -0.016 0.000 0.203 423 Q C 2.152 177.921 176.000 -0.384 0.000 0.976 423 Q CA 2.059 57.533 55.803 -0.547 0.000 0.858 423 Q CB -1.055 27.216 28.738 -0.779 0.000 0.907 423 Q HN 0.361 nan 8.270 nan 0.000 0.433 424 T N 0.040 114.386 114.554 -0.347 0.000 2.777 424 T HA -0.074 4.266 4.350 -0.016 0.000 0.266 424 T C 1.793 176.354 174.700 -0.232 0.000 1.040 424 T CA 1.384 63.349 62.100 -0.226 0.000 1.141 424 T CB -0.097 68.657 68.868 -0.189 0.000 0.868 424 T HN 0.376 nan 8.240 nan 0.000 0.444 425 R N -0.122 120.191 120.500 -0.312 0.000 2.193 425 R HA 0.039 4.370 4.340 -0.016 0.000 0.229 425 R C 2.179 178.286 176.300 -0.321 0.000 1.110 425 R CA 1.029 56.950 56.100 -0.298 0.000 0.988 425 R CB -0.254 29.846 30.300 -0.333 0.000 0.871 425 R HN 0.349 nan 8.270 nan 0.000 0.458 426 L N -0.129 120.845 121.223 -0.415 0.000 2.130 426 L HA 0.041 4.371 4.340 -0.016 0.000 0.200 426 L C 1.714 178.449 176.870 -0.225 0.000 1.075 426 L CA 1.375 55.987 54.840 -0.380 0.000 0.768 426 L CB -0.119 41.604 42.059 -0.561 0.000 0.933 426 L HN 0.043 nan 8.230 nan 0.000 0.451 427 L N -0.622 120.496 121.223 -0.174 0.000 2.056 427 L HA -0.108 4.222 4.340 -0.016 0.000 0.207 427 L C 2.772 179.655 176.870 0.023 0.000 1.078 427 L CA 1.058 55.872 54.840 -0.044 0.000 0.749 427 L CB -0.509 41.578 42.059 0.046 0.000 0.901 427 L HN 0.214 nan 8.230 nan 0.000 0.433 428 R N -0.059 120.435 120.500 -0.010 0.000 2.070 428 R HA -0.144 4.186 4.340 -0.016 0.000 0.233 428 R C -0.224 176.105 176.300 0.047 0.000 1.137 428 R CA 1.581 57.698 56.100 0.027 0.000 0.945 428 R CB -1.574 28.723 30.300 -0.006 0.000 0.845 428 R HN 0.334 nan 8.270 nan 0.000 0.430 429 P HA -0.090 nan 4.420 nan 0.000 0.216 429 P C 1.439 178.784 177.300 0.076 0.000 1.153 429 P CA 1.029 64.153 63.100 0.040 0.000 0.848 429 P CB 0.038 31.745 31.700 0.012 0.000 0.787 430 V N -0.476 119.475 119.914 0.061 0.000 2.307 430 V HA -0.190 3.920 4.120 -0.016 0.000 0.245 430 V C 2.459 178.655 176.094 0.171 0.000 1.045 430 V CA 1.620 63.970 62.300 0.083 0.000 1.024 430 V CB -1.233 30.594 31.823 0.007 0.000 0.651 430 V HN 0.039 nan 8.190 nan 0.000 0.449 431 L N -0.326 121.031 121.223 0.224 0.000 2.156 431 L HA -0.095 4.235 4.340 -0.016 0.000 0.208 431 L C 2.608 179.712 176.870 0.390 0.000 1.095 431 L CA 1.242 56.321 54.840 0.398 0.000 0.770 431 L CB -0.604 41.743 42.059 0.479 0.000 0.914 431 L HN 0.292 nan 8.230 nan 0.000 0.439 432 S N 0.377 116.229 115.700 0.253 0.000 2.356 432 S HA -0.150 4.310 4.470 -0.016 0.000 0.223 432 S C 2.004 176.726 174.600 0.202 0.000 1.032 432 S CA 1.225 59.549 58.200 0.206 0.000 1.005 432 S CB -0.357 62.928 63.200 0.142 0.000 0.867 432 S HN 0.271 nan 8.310 nan 0.000 0.449 433 L N -0.070 121.259 121.223 0.176 0.000 2.042 433 L HA -0.150 4.180 4.340 -0.016 0.000 0.210 433 L C 2.237 179.201 176.870 0.158 0.000 1.076 433 L CA 1.627 56.554 54.840 0.145 0.000 0.749 433 L CB -0.433 41.671 42.059 0.075 0.000 0.893 433 L HN 0.299 nan 8.230 nan 0.000 0.432 434 F N -0.355 119.594 119.950 -0.002 0.000 2.084 434 F HA -0.239 4.279 4.527 -0.015 0.000 0.296 434 F C 2.128 177.812 175.800 -0.193 0.000 1.111 434 F CA 1.474 59.393 58.000 -0.135 0.000 1.224 434 F CB -0.111 38.733 39.000 -0.261 0.000 0.991 434 F HN -0.136 nan 8.300 nan 0.000 0.471 435 F N 0.700 120.615 119.950 -0.058 0.000 2.234 435 F HA -0.089 4.428 4.527 -0.017 0.000 0.296 435 F C 2.185 177.852 175.800 -0.222 0.000 1.089 435 F CA 0.926 58.785 58.000 -0.234 0.000 1.343 435 F CB -0.950 38.000 39.000 -0.084 0.000 1.040 435 F HN -0.018 nan 8.300 nan 0.000 0.498 436 N N -1.078 117.618 118.700 -0.007 0.000 2.250 436 N HA -0.096 4.634 4.740 -0.016 0.000 0.181 436 N C 1.216 176.438 175.510 -0.480 0.000 1.017 436 N CA 1.234 54.138 53.050 -0.245 0.000 0.866 436 N CB -0.305 38.019 38.487 -0.272 0.000 0.985 436 N HN 0.376 nan 8.380 nan 0.000 0.429 437 H N -1.663 117.389 119.070 -0.029 0.000 3.233 437 H HA 0.257 4.803 4.556 -0.016 0.000 0.263 437 H C 0.604 175.953 175.328 0.036 0.000 1.168 437 H CA 0.406 56.481 56.048 0.046 0.000 1.159 437 H CB 0.832 30.558 29.762 -0.060 0.000 1.593 437 H HN 0.163 nan 8.280 nan 0.000 0.580 438 G N 1.999 110.764 108.800 -0.059 0.000 2.283 438 G HA2 -0.282 3.668 3.960 -0.016 0.000 0.280 438 G HA3 -0.282 3.668 3.960 -0.016 0.000 0.280 438 G C 0.134 175.066 174.900 0.053 0.000 1.029 438 G CA 0.532 45.554 45.100 -0.131 0.000 0.840 438 G HN 0.206 nan 8.290 nan 0.000 0.505 439 V N 0.510 120.479 119.914 0.093 0.000 2.383 439 V HA 0.421 4.531 4.120 -0.016 0.000 0.275 439 V C 0.680 176.896 176.094 0.203 0.000 1.036 439 V CA -0.619 61.731 62.300 0.083 0.000 0.889 439 V CB 1.811 33.572 31.823 -0.104 0.000 0.985 439 V HN 0.245 nan 8.190 nan 0.000 0.459 440 V N 6.747 126.772 119.914 0.184 0.000 2.320 440 V HA 0.334 4.444 4.120 -0.016 0.000 0.265 440 V C 0.472 176.614 176.094 0.081 0.000 1.048 440 V CA -0.479 61.919 62.300 0.163 0.000 0.865 440 V CB 0.794 32.697 31.823 0.134 0.000 1.043 440 V HN 0.716 nan 8.190 nan 0.000 0.474 441 M N 2.779 122.431 119.600 0.087 0.000 2.114 441 M HA 0.373 4.843 4.480 -0.016 0.000 0.293 441 M C 0.483 176.779 176.300 -0.006 0.000 1.201 441 M CA 0.088 55.428 55.300 0.066 0.000 1.107 441 M CB 0.240 32.883 32.600 0.072 0.000 1.405 441 M HN 0.595 nan 8.290 nan 0.000 0.486 442 E N 2.455 122.626 120.200 -0.048 0.000 3.167 442 E HA 0.258 4.598 4.350 -0.016 0.000 0.212 442 E C -2.069 174.391 176.600 -0.234 0.000 1.143 442 E CA -1.599 54.741 56.400 -0.101 0.000 1.002 442 E CB 0.692 30.339 29.700 -0.088 0.000 1.315 442 E HN 0.230 nan 8.360 nan 0.000 0.422 443 P HA 0.040 nan 4.420 nan 0.000 0.237 443 P C -0.537 176.776 177.300 0.021 0.000 1.723 443 P CA -0.164 62.880 63.100 -0.092 0.000 0.882 443 P CB -0.685 30.972 31.700 -0.072 0.000 1.810 444 H N -1.538 117.554 119.070 0.035 0.000 2.598 444 H HA 0.143 4.689 4.556 -0.016 0.000 0.371 444 H C 1.480 176.760 175.328 -0.080 0.000 1.468 444 H CA -0.705 55.327 56.048 -0.027 0.000 1.454 444 H CB -0.312 29.425 29.762 -0.042 0.000 1.579 444 H HN -0.150 nan 8.280 nan 0.000 0.611 445 L N -1.285 119.948 121.223 0.017 0.000 2.131 445 L HA -0.161 4.169 4.340 -0.016 0.000 0.210 445 L C 2.595 179.467 176.870 0.004 0.000 1.092 445 L CA 1.620 56.347 54.840 -0.189 0.000 0.759 445 L CB -0.392 41.529 42.059 -0.230 0.000 0.903 445 L HN 0.720 nan 8.230 nan 0.000 0.435 446 Q N -0.038 119.863 119.800 0.169 0.000 2.389 446 Q HA -0.094 4.236 4.340 -0.016 0.000 0.204 446 Q C 1.001 177.089 176.000 0.146 0.000 0.944 446 Q CA 0.792 56.672 55.803 0.129 0.000 0.908 446 Q CB 0.157 28.929 28.738 0.057 0.000 1.002 446 Q HN 0.455 nan 8.270 nan 0.000 0.493 447 N N 0.085 118.857 118.700 0.120 0.000 2.314 447 N HA 0.074 4.804 4.740 -0.016 0.000 0.200 447 N C -0.821 174.655 175.510 -0.057 0.000 1.135 447 N CA 0.105 53.106 53.050 -0.082 0.000 0.835 447 N CB 0.707 38.980 38.487 -0.356 0.000 0.989 447 N HN -0.060 nan 8.380 nan 0.000 0.478 448 S N -0.288 115.421 115.700 0.014 0.000 2.521 448 S HA 0.582 5.042 4.470 -0.016 0.000 0.295 448 S C -0.505 174.119 174.600 0.041 0.000 1.098 448 S CA -0.658 57.575 58.200 0.055 0.000 0.999 448 S CB 2.758 66.114 63.200 0.259 0.000 1.034 448 S HN -0.202 nan 8.310 nan 0.000 0.483 449 V N 3.508 123.406 119.914 -0.027 0.000 2.482 449 V HA 0.386 4.496 4.120 -0.016 0.000 0.295 449 V C -0.683 175.410 176.094 -0.003 0.000 1.026 449 V CA -0.735 61.541 62.300 -0.040 0.000 0.856 449 V CB 1.527 33.188 31.823 -0.270 0.000 1.001 449 V HN 0.782 nan 8.190 nan 0.000 0.424 450 L N 6.869 128.158 121.223 0.110 0.000 2.361 450 L HA 0.467 4.797 4.340 -0.016 0.000 0.278 450 L C -0.173 176.784 176.870 0.145 0.000 1.113 450 L CA 0.589 55.530 54.840 0.169 0.000 0.849 450 L CB 1.128 43.355 42.059 0.280 0.000 1.155 450 L HN 0.475 nan 8.230 nan 0.000 0.452 451 V N 6.067 126.034 119.914 0.088 0.000 2.383 451 V HA 0.403 4.513 4.120 -0.016 0.000 0.275 451 V C -0.197 175.978 176.094 0.136 0.000 1.036 451 V CA -0.484 61.862 62.300 0.077 0.000 0.889 451 V CB 0.647 32.469 31.823 -0.002 0.000 0.985 451 V HN 1.015 nan 8.190 nan 0.000 0.459 452 H N 2.678 121.803 119.070 0.091 0.000 2.834 452 H HA 0.833 5.380 4.556 -0.015 0.000 0.369 452 H C -0.745 174.623 175.328 0.066 0.000 1.174 452 H CA -1.196 54.915 56.048 0.105 0.000 1.165 452 H CB 1.790 31.674 29.762 0.203 0.000 1.820 452 H HN 0.424 nan 8.280 nan 0.000 0.558 453 Q N 1.367 121.233 119.800 0.110 0.000 2.347 453 Q HA 0.244 4.574 4.340 -0.016 0.000 0.265 453 Q C -0.906 175.159 176.000 0.109 0.000 1.024 453 Q CA -0.427 55.396 55.803 0.032 0.000 0.731 453 Q CB 0.972 29.724 28.738 0.022 0.000 1.245 453 Q HN 0.806 nan 8.270 nan 0.000 0.472 454 Q N 2.827 122.691 119.800 0.107 0.000 2.453 454 Q HA -0.320 4.010 4.340 -0.016 0.000 0.294 454 Q C 0.572 176.501 176.000 -0.119 0.000 1.295 454 Q CA 0.886 56.734 55.803 0.076 0.000 0.853 454 Q CB -1.780 27.002 28.738 0.073 0.000 1.193 454 Q HN 1.206 nan 8.270 nan 0.000 0.461 455 G N -0.747 107.945 108.800 -0.179 0.000 2.241 455 G HA2 -0.327 3.623 3.960 -0.016 0.000 0.244 455 G HA3 -0.327 3.623 3.960 -0.016 0.000 0.244 455 G C 0.069 175.266 174.900 0.495 0.000 0.998 455 G CA 0.271 45.261 45.100 -0.183 0.000 0.621 455 G HN 0.276 nan 8.290 nan 0.000 0.519 456 R N 1.551 122.282 120.500 0.384 0.000 2.297 456 R HA 0.550 4.880 4.340 -0.016 0.000 0.308 456 R C -2.534 173.879 176.300 0.187 0.000 1.029 456 R CA -1.873 54.425 56.100 0.331 0.000 0.929 456 R CB 0.779 31.198 30.300 0.199 0.000 1.046 456 R HN 0.126 nan 8.270 nan 0.000 0.461 457 P HA 0.029 nan 4.420 nan 0.000 0.271 457 P C -0.412 176.855 177.300 -0.054 0.000 1.226 457 P CA 0.065 63.124 63.100 -0.069 0.000 0.765 457 P CB 0.980 32.476 31.700 -0.339 0.000 0.835 458 Q N 1.697 121.491 119.800 -0.009 0.000 2.499 458 Q HA 0.087 4.417 4.340 -0.016 0.000 0.213 458 Q C 0.184 176.145 176.000 -0.065 0.000 0.929 458 Q CA 0.706 56.490 55.803 -0.032 0.000 0.904 458 Q CB 0.486 29.218 28.738 -0.009 0.000 1.052 458 Q HN 0.580 nan 8.270 nan 0.000 0.589 459 Q N 0.002 119.766 119.800 -0.059 0.000 2.421 459 Q HA 0.479 4.809 4.340 -0.016 0.000 0.280 459 Q C -1.473 174.461 176.000 -0.110 0.000 1.085 459 Q CA -0.517 55.231 55.803 -0.092 0.000 0.807 459 Q CB 3.205 31.898 28.738 -0.074 0.000 1.405 459 Q HN -0.080 nan 8.270 nan 0.000 0.419 460 V N 2.542 122.358 119.914 -0.164 0.000 2.275 460 V HA 0.251 4.361 4.120 -0.016 0.000 0.272 460 V C -0.362 175.649 176.094 -0.138 0.000 1.028 460 V CA -0.507 61.696 62.300 -0.163 0.000 0.810 460 V CB 0.730 32.374 31.823 -0.299 0.000 1.043 460 V HN 0.641 nan 8.190 nan 0.000 0.453 461 L N 5.954 127.082 121.223 -0.160 0.000 2.416 461 L HA 0.454 4.785 4.340 -0.016 0.000 0.272 461 L C -0.665 176.091 176.870 -0.189 0.000 1.161 461 L CA 0.254 54.968 54.840 -0.209 0.000 0.845 461 L CB 0.604 42.434 42.059 -0.382 0.000 1.119 461 L HN 0.468 nan 8.230 nan 0.000 0.464 462 L N 5.515 126.652 121.223 -0.144 0.000 2.342 462 L HA 0.682 5.013 4.340 -0.016 0.000 0.271 462 L C -0.295 176.486 176.870 -0.148 0.000 1.008 462 L CA -0.734 54.040 54.840 -0.110 0.000 0.818 462 L CB 1.839 43.877 42.059 -0.036 0.000 1.296 462 L HN 0.741 nan 8.230 nan 0.000 0.427 463 R N 0.237 120.640 120.500 -0.161 0.000 2.831 463 R HA 0.674 5.005 4.340 -0.016 0.000 0.266 463 R C -1.640 174.541 176.300 -0.199 0.000 1.051 463 R CA -0.890 55.070 56.100 -0.234 0.000 0.943 463 R CB 1.528 31.693 30.300 -0.226 0.000 1.228 463 R HN 0.454 nan 8.270 nan 0.000 0.467 464 D N -0.019 120.209 120.400 -0.287 0.000 4.147 464 D HA -0.107 4.523 4.640 -0.016 0.000 0.239 464 D C -0.777 175.535 176.300 0.021 0.000 1.075 464 D CA 0.138 54.044 54.000 -0.158 0.000 1.089 464 D CB -0.506 40.241 40.800 -0.089 0.000 0.799 464 D HN 0.520 nan 8.370 nan 0.000 0.371 465 F N 1.477 121.349 119.950 -0.131 0.000 2.661 465 F HA 0.097 4.615 4.527 -0.016 0.000 0.298 465 F C 2.128 177.894 175.800 -0.057 0.000 1.137 465 F CA 0.565 58.490 58.000 -0.126 0.000 1.454 465 F CB -0.169 38.753 39.000 -0.131 0.000 1.103 465 F HN 0.285 nan 8.300 nan 0.000 0.577 466 E N -0.540 119.740 120.200 0.134 0.000 2.358 466 E HA 0.011 4.351 4.350 -0.016 0.000 0.195 466 E C 2.455 179.081 176.600 0.042 0.000 1.010 466 E CA 0.811 57.253 56.400 0.071 0.000 0.856 466 E CB -0.506 29.217 29.700 0.038 0.000 0.795 466 E HN 0.299 nan 8.360 nan 0.000 0.504 467 G N 0.095 108.920 108.800 0.041 0.000 2.744 467 G HA2 0.013 3.964 3.960 -0.016 0.000 0.211 467 G HA3 0.013 3.964 3.960 -0.016 0.000 0.211 467 G C 0.443 175.323 174.900 -0.032 0.000 1.146 467 G CA -0.270 44.836 45.100 0.010 0.000 0.787 467 G HN 0.045 nan 8.290 nan 0.000 0.534 468 V N 2.117 122.039 119.914 0.013 0.000 2.599 468 V HA 0.194 4.304 4.120 -0.016 0.000 0.300 468 V C 0.002 176.055 176.094 -0.067 0.000 1.034 468 V CA 0.168 62.475 62.300 0.012 0.000 1.115 468 V CB 0.950 32.835 31.823 0.104 0.000 0.934 468 V HN 0.133 nan 8.190 nan 0.000 0.485 469 K N 5.085 125.404 120.400 -0.135 0.000 2.306 469 K HA 0.750 5.060 4.320 -0.016 0.000 0.236 469 K C -0.978 175.607 176.600 -0.025 0.000 1.013 469 K CA -0.763 55.407 56.287 -0.194 0.000 0.857 469 K CB 2.443 34.566 32.500 -0.628 0.000 1.214 469 K HN 0.427 nan 8.250 nan 0.000 0.449 470 L N 0.900 122.137 121.223 0.023 0.000 2.385 470 L HA 0.351 4.681 4.340 -0.016 0.000 0.273 470 L C 0.286 177.221 176.870 0.108 0.000 0.990 470 L CA -1.011 53.873 54.840 0.074 0.000 0.821 470 L CB 2.088 44.185 42.059 0.063 0.000 1.279 470 L HN 0.719 nan 8.230 nan 0.000 0.412 471 T N -3.283 111.335 114.554 0.107 0.000 2.918 471 T HA 0.068 4.409 4.350 -0.016 0.000 0.302 471 T C 0.875 175.604 174.700 0.049 0.000 1.045 471 T CA -0.506 61.659 62.100 0.108 0.000 1.114 471 T CB 1.053 69.951 68.868 0.050 0.000 0.965 471 T HN 0.718 nan 8.240 nan 0.000 0.540 472 D N 1.256 121.690 120.400 0.057 0.000 2.221 472 D HA -0.201 4.429 4.640 -0.016 0.000 0.204 472 D C 1.271 177.562 176.300 -0.016 0.000 0.982 472 D CA 1.516 55.529 54.000 0.022 0.000 0.857 472 D CB -0.265 40.552 40.800 0.028 0.000 0.934 472 D HN 0.797 nan 8.370 nan 0.000 0.475 473 D N -1.026 119.356 120.400 -0.030 0.000 2.366 473 D HA 0.013 4.644 4.640 -0.016 0.000 0.205 473 D C 1.634 177.876 176.300 -0.096 0.000 1.022 473 D CA -0.031 53.935 54.000 -0.058 0.000 0.868 473 D CB 0.131 40.899 40.800 -0.053 0.000 0.953 473 D HN 0.313 nan 8.370 nan 0.000 0.514 474 L N -0.332 120.825 121.223 -0.110 0.000 2.437 474 L HA 0.373 4.703 4.340 -0.016 0.000 0.188 474 L C 2.115 178.878 176.870 -0.179 0.000 1.123 474 L CA 1.178 55.923 54.840 -0.158 0.000 0.981 474 L CB -0.199 41.763 42.059 -0.162 0.000 1.935 474 L HN 0.032 nan 8.230 nan 0.000 0.494 475 G N -0.044 108.715 108.800 -0.069 0.000 2.394 475 G HA2 -0.196 3.754 3.960 -0.016 0.000 0.215 475 G HA3 -0.196 3.754 3.960 -0.016 0.000 0.215 475 G C 1.417 176.328 174.900 0.019 0.000 1.165 475 G CA 0.929 46.053 45.100 0.041 0.000 0.784 475 G HN 0.263 nan 8.290 nan 0.000 0.535 476 I N 1.900 122.459 120.570 -0.019 0.000 2.700 476 I HA -0.085 4.075 4.170 -0.016 0.000 0.261 476 I C 2.801 178.888 176.117 -0.051 0.000 1.219 476 I CA 0.622 61.917 61.300 -0.008 0.000 1.463 476 I CB -0.157 37.844 38.000 0.002 0.000 1.092 476 I HN 0.307 nan 8.210 nan 0.000 0.452 477 R N -0.871 119.531 120.500 -0.163 0.000 2.193 477 R HA -0.194 4.137 4.340 -0.016 0.000 0.229 477 R C 1.403 177.599 176.300 -0.173 0.000 1.110 477 R CA 1.437 57.409 56.100 -0.214 0.000 0.988 477 R CB -0.951 29.141 30.300 -0.346 0.000 0.871 477 R HN 0.303 nan 8.270 nan 0.000 0.458 478 Y N 1.554 121.835 120.300 -0.032 0.000 2.546 478 Y HA 0.157 4.697 4.550 -0.016 0.000 0.287 478 Y C 0.880 176.764 175.900 -0.026 0.000 1.158 478 Y CA -0.620 57.455 58.100 -0.040 0.000 1.307 478 Y CB -0.074 38.341 38.460 -0.076 0.000 1.036 478 Y HN 0.143 nan 8.280 nan 0.000 0.532 479 I N -3.133 117.503 120.570 0.111 0.000 2.498 479 I HA 0.357 4.517 4.170 -0.016 0.000 0.301 479 I C -0.137 176.012 176.117 0.054 0.000 0.984 479 I CA -1.563 59.782 61.300 0.076 0.000 1.204 479 I CB 0.626 38.663 38.000 0.062 0.000 1.362 479 I HN -0.269 nan 8.210 nan 0.000 0.471 480 D N 3.280 123.713 120.400 0.055 0.000 2.443 480 D HA -0.035 4.595 4.640 -0.016 0.000 0.234 480 D C 0.473 176.796 176.300 0.039 0.000 1.172 480 D CA 0.503 54.531 54.000 0.047 0.000 0.878 480 D CB 0.671 41.502 40.800 0.052 0.000 1.204 480 D HN 0.668 nan 8.370 nan 0.000 0.453 481 D N -0.245 120.174 120.400 0.030 0.000 2.219 481 D HA -0.135 4.495 4.640 -0.016 0.000 0.205 481 D C 0.746 177.064 176.300 0.029 0.000 0.970 481 D CA 0.849 54.863 54.000 0.023 0.000 0.851 481 D CB 0.069 40.879 40.800 0.016 0.000 0.943 481 D HN 0.423 nan 8.370 nan 0.000 0.488 482 D N 0.871 121.295 120.400 0.039 0.000 2.561 482 D HA 0.007 4.637 4.640 -0.016 0.000 0.232 482 D C 0.307 176.649 176.300 0.070 0.000 1.198 482 D CA -0.436 53.592 54.000 0.046 0.000 0.826 482 D CB -1.043 39.784 40.800 0.045 0.000 0.992 482 D HN 0.347 nan 8.370 nan 0.000 0.490 483 I N -2.894 117.722 120.570 0.076 0.000 2.499 483 I HA 0.329 4.489 4.170 -0.016 0.000 0.296 483 I C 0.571 176.773 176.117 0.142 0.000 0.992 483 I CA -1.004 60.365 61.300 0.116 0.000 1.297 483 I CB 0.973 39.035 38.000 0.104 0.000 1.410 483 I HN -0.129 nan 8.210 nan 0.000 0.507 484 H N 7.159 126.305 119.070 0.126 0.000 3.094 484 H HA 0.047 4.593 4.556 -0.016 0.000 0.320 484 H C -1.685 173.709 175.328 0.111 0.000 1.000 484 H CA -0.797 55.349 56.048 0.164 0.000 1.413 484 H CB 1.221 31.172 29.762 0.315 0.000 1.405 484 H HN 0.535 nan 8.280 nan 0.000 0.586 485 P HA -0.187 nan 4.420 nan 0.000 0.217 485 P C 1.525 178.894 177.300 0.115 0.000 1.148 485 P CA 1.276 64.376 63.100 0.000 0.000 0.828 485 P CB 0.267 31.916 31.700 -0.085 0.000 0.783 486 R N 0.243 120.973 120.500 0.383 0.000 2.090 486 R HA -0.030 4.300 4.340 -0.016 0.000 0.228 486 R C 2.121 178.323 176.300 -0.164 0.000 1.110 486 R CA 1.085 57.245 56.100 0.100 0.000 0.973 486 R CB -1.472 28.943 30.300 0.191 0.000 0.869 486 R HN -0.022 nan 8.270 nan 0.000 0.440 487 V N 0.759 120.659 119.914 -0.023 0.000 2.343 487 V HA -0.208 3.902 4.120 -0.016 0.000 0.247 487 V C 2.500 178.581 176.094 -0.021 0.000 1.051 487 V CA 2.180 64.443 62.300 -0.061 0.000 1.036 487 V CB -0.591 31.255 31.823 0.039 0.000 0.654 487 V HN 0.369 nan 8.190 nan 0.000 0.451 488 R N 0.031 120.543 120.500 0.020 0.000 2.083 488 R HA -0.264 4.066 4.340 -0.016 0.000 0.237 488 R C 2.481 178.777 176.300 -0.007 0.000 1.137 488 R CA 2.275 58.384 56.100 0.016 0.000 0.951 488 R CB -0.369 29.946 30.300 0.025 0.000 0.851 488 R HN 0.678 nan 8.270 nan 0.000 0.434 489 Q N -0.231 119.547 119.800 -0.037 0.000 2.135 489 Q HA -0.179 4.151 4.340 -0.016 0.000 0.204 489 Q C 2.001 177.966 176.000 -0.059 0.000 0.981 489 Q CA 2.081 57.853 55.803 -0.050 0.000 0.856 489 Q CB -0.199 28.485 28.738 -0.090 0.000 0.902 489 Q HN 0.306 nan 8.270 nan 0.000 0.425 490 S N -0.191 115.435 115.700 -0.124 0.000 2.368 490 S HA -0.091 4.369 4.470 -0.016 0.000 0.225 490 S C 1.835 176.435 174.600 0.000 0.000 1.030 490 S CA 1.135 59.288 58.200 -0.078 0.000 0.999 490 S CB -0.155 63.015 63.200 -0.049 0.000 0.844 490 S HN 0.500 nan 8.310 nan 0.000 0.459 491 L N 0.544 121.767 121.223 0.000 0.000 2.270 491 L HA 0.246 4.577 4.340 -0.016 0.000 0.210 491 L C 0.620 177.504 176.870 0.024 0.000 1.104 491 L CA -0.092 54.748 54.840 0.001 0.000 0.804 491 L CB -0.179 41.889 42.059 0.013 0.000 0.937 491 L HN 0.291 nan 8.230 nan 0.000 0.450 492 L N 0.318 121.582 121.223 0.068 0.000 2.418 492 L HA 0.127 4.457 4.340 -0.016 0.000 0.274 492 L C -0.860 176.182 176.870 0.286 0.000 1.135 492 L CA 0.463 55.376 54.840 0.123 0.000 0.870 492 L CB -0.026 42.082 42.059 0.082 0.000 1.154 492 L HN -0.146 nan 8.230 nan 0.000 0.462 493 Y N 2.588 122.920 120.300 0.053 0.000 2.485 493 Y HA 0.472 5.012 4.550 -0.017 0.000 0.345 493 Y C 0.467 176.407 175.900 0.067 0.000 0.998 493 Y CA -1.264 56.876 58.100 0.066 0.000 1.059 493 Y CB 1.988 40.504 38.460 0.094 0.000 1.234 493 Y HN 0.739 nan 8.280 nan 0.000 0.461 494 S N 2.542 118.307 115.700 0.107 0.000 2.589 494 S HA 0.174 4.634 4.470 -0.016 0.000 0.265 494 S C 1.400 176.091 174.600 0.151 0.000 1.342 494 S CA -0.407 57.840 58.200 0.078 0.000 1.005 494 S CB 0.892 64.096 63.200 0.006 0.000 0.909 494 S HN 0.860 nan 8.310 nan 0.000 0.555 495 R N 0.619 121.202 120.500 0.138 0.000 2.105 495 R HA -0.156 4.174 4.340 -0.016 0.000 0.239 495 R C 2.248 178.733 176.300 0.308 0.000 1.135 495 R CA 1.924 58.154 56.100 0.218 0.000 0.967 495 R CB -0.412 29.953 30.300 0.107 0.000 0.861 495 R HN 0.939 nan 8.270 nan 0.000 0.442 496 E N 0.105 120.409 120.200 0.173 0.000 2.047 496 E HA -0.221 4.119 4.350 -0.016 0.000 0.191 496 E C 2.038 178.681 176.600 0.071 0.000 0.987 496 E CA 1.233 57.722 56.400 0.148 0.000 0.799 496 E CB 0.077 29.811 29.700 0.057 0.000 0.752 496 E HN 0.454 nan 8.360 nan 0.000 0.449 497 Q N -0.355 119.418 119.800 -0.045 0.000 2.077 497 Q HA -0.175 4.156 4.340 -0.016 0.000 0.206 497 Q C 2.219 178.202 176.000 -0.027 0.000 0.989 497 Q CA 1.464 57.124 55.803 -0.237 0.000 0.853 497 Q CB -0.376 27.967 28.738 -0.658 0.000 0.907 497 Q HN 0.396 nan 8.270 nan 0.000 0.418 498 G N 0.563 109.517 108.800 0.257 0.000 2.491 498 G HA2 -0.289 3.661 3.960 -0.016 0.000 0.218 498 G HA3 -0.289 3.661 3.960 -0.016 0.000 0.218 498 G C 1.016 175.895 174.900 -0.034 0.000 1.180 498 G CA 0.635 45.942 45.100 0.345 0.000 0.774 498 G HN 0.536 nan 8.290 nan 0.000 0.562 499 W N 1.437 122.604 121.300 -0.221 0.000 2.363 499 W HA -0.124 4.527 4.660 -0.015 0.000 0.296 499 W C 2.167 178.596 176.519 -0.151 0.000 1.212 499 W CA 1.096 58.240 57.345 -0.334 0.000 1.260 499 W CB -0.048 29.403 29.460 -0.015 0.000 1.131 499 W HN 0.170 nan 8.180 nan 0.000 0.530 500 N N 0.680 119.259 118.700 -0.202 0.000 2.104 500 N HA -0.219 4.512 4.740 -0.016 0.000 0.190 500 N C 1.824 177.220 175.510 -0.189 0.000 1.024 500 N CA 1.773 54.614 53.050 -0.348 0.000 0.853 500 N CB -0.819 37.339 38.487 -0.549 0.000 1.008 500 N HN 0.263 nan 8.380 nan 0.000 0.424 501 R N 0.549 121.027 120.500 -0.035 0.000 2.075 501 R HA 0.005 4.335 4.340 -0.016 0.000 0.232 501 R C 1.925 178.224 176.300 -0.002 0.000 1.126 501 R CA 0.878 57.070 56.100 0.154 0.000 0.963 501 R CB -0.060 30.395 30.300 0.258 0.000 0.858 501 R HN 0.072 nan 8.270 nan 0.000 0.435 502 I N 0.712 121.142 120.570 -0.232 0.000 2.226 502 I HA -0.285 3.875 4.170 -0.016 0.000 0.245 502 I C 2.378 178.229 176.117 -0.443 0.000 1.100 502 I CA 1.472 62.557 61.300 -0.358 0.000 1.374 502 I CB -0.950 36.748 38.000 -0.502 0.000 1.057 502 I HN 0.368 nan 8.210 nan 0.000 0.413 503 M N -0.517 118.736 119.600 -0.579 0.000 2.067 503 M HA -0.278 4.192 4.480 -0.016 0.000 0.260 503 M C 2.560 178.820 176.300 -0.067 0.000 1.069 503 M CA 2.091 57.192 55.300 -0.333 0.000 1.117 503 M CB -0.658 31.660 32.600 -0.471 0.000 1.334 503 M HN 0.184 nan 8.290 nan 0.000 0.407 504 Y N 0.347 120.575 120.300 -0.119 0.000 2.097 504 Y HA -0.301 4.239 4.550 -0.016 0.000 0.282 504 Y C 2.448 178.314 175.900 -0.057 0.000 1.152 504 Y CA 1.705 59.776 58.100 -0.048 0.000 1.136 504 Y CB -0.903 37.599 38.460 0.071 0.000 0.975 504 Y HN 0.270 nan 8.280 nan 0.000 0.498 505 C N 0.585 119.705 119.300 -0.300 0.000 2.413 505 C HA -0.211 4.239 4.460 -0.016 0.000 0.277 505 C C 2.899 177.690 174.990 -0.332 0.000 1.228 505 C CA 1.483 60.297 59.018 -0.341 0.000 1.731 505 C CB -1.522 26.165 27.740 -0.088 0.000 2.042 505 C HN 0.654 nan 8.230 nan 0.000 0.468 506 L N -0.843 120.117 121.223 -0.438 0.000 2.005 506 L HA -0.111 4.219 4.340 -0.016 0.000 0.207 506 L C 2.279 178.815 176.870 -0.557 0.000 1.072 506 L CA 1.897 56.349 54.840 -0.648 0.000 0.744 506 L CB -0.514 40.872 42.059 -1.122 0.000 0.895 506 L HN 0.340 nan 8.230 nan 0.000 0.433 507 F N -1.489 118.482 119.950 0.035 0.000 2.437 507 F HA 0.085 4.602 4.527 -0.017 0.000 0.288 507 F C 2.133 178.008 175.800 0.124 0.000 1.085 507 F CA 0.225 58.374 58.000 0.249 0.000 1.430 507 F CB -0.008 39.159 39.000 0.280 0.000 1.120 507 F HN -0.145 nan 8.300 nan 0.000 0.556 508 I N -0.151 120.337 120.570 -0.136 0.000 2.364 508 I HA -0.172 3.988 4.170 -0.016 0.000 0.241 508 I C 2.444 178.449 176.117 -0.187 0.000 1.082 508 I CA 0.679 61.797 61.300 -0.303 0.000 1.401 508 I CB -0.427 37.318 38.000 -0.425 0.000 1.126 508 I HN 0.123 nan 8.210 nan 0.000 0.429 509 N N 0.398 118.810 118.700 -0.480 0.000 2.084 509 N HA -0.248 4.482 4.740 -0.016 0.000 0.190 509 N C 1.805 177.237 175.510 -0.129 0.000 1.030 509 N CA 1.984 54.809 53.050 -0.373 0.000 0.849 509 N CB 0.054 38.136 38.487 -0.675 0.000 1.012 509 N HN 0.481 nan 8.380 nan 0.000 0.423 510 H N -0.564 118.409 119.070 -0.163 0.000 2.320 510 H HA 0.268 4.814 4.556 -0.016 0.000 0.318 510 H C 2.305 177.598 175.328 -0.059 0.000 1.098 510 H CA 0.286 56.290 56.048 -0.073 0.000 1.569 510 H CB -0.046 29.678 29.762 -0.063 0.000 1.506 510 H HN -0.025 nan 8.280 nan 0.000 0.632 511 L N -0.019 121.349 121.223 0.242 0.000 2.131 511 L HA -0.154 4.177 4.340 -0.016 0.000 0.210 511 L C 2.648 179.558 176.870 0.067 0.000 1.092 511 L CA 1.067 56.009 54.840 0.169 0.000 0.759 511 L CB -0.340 41.866 42.059 0.245 0.000 0.903 511 L HN 0.325 nan 8.230 nan 0.000 0.435 512 S N -0.532 115.345 115.700 0.295 0.000 2.368 512 S HA -0.158 4.302 4.470 -0.016 0.000 0.224 512 S C 1.913 176.572 174.600 0.100 0.000 1.029 512 S CA 1.083 59.512 58.200 0.381 0.000 0.988 512 S CB -0.030 63.521 63.200 0.585 0.000 0.838 512 S HN 0.365 nan 8.310 nan 0.000 0.462 513 E N 0.707 120.919 120.200 0.020 0.000 2.106 513 E HA -0.068 4.273 4.350 -0.016 0.000 0.192 513 E C 2.226 178.689 176.600 -0.228 0.000 0.984 513 E CA 1.316 57.680 56.400 -0.060 0.000 0.806 513 E CB -1.012 28.665 29.700 -0.039 0.000 0.750 513 E HN 0.519 nan 8.360 nan 0.000 0.458 514 T N 1.854 116.118 114.554 -0.484 0.000 2.684 514 T HA -0.127 4.213 4.350 -0.016 0.000 0.267 514 T C 2.133 176.606 174.700 -0.379 0.000 1.036 514 T CA 1.132 62.677 62.100 -0.925 0.000 1.148 514 T CB -0.225 68.182 68.868 -0.769 0.000 0.863 514 T HN 0.116 nan 8.240 nan 0.000 0.436 515 I N 0.318 120.693 120.570 -0.325 0.000 2.252 515 I HA -0.100 4.061 4.170 -0.016 0.000 0.245 515 I C 2.317 178.316 176.117 -0.197 0.000 1.102 515 I CA 0.721 61.784 61.300 -0.394 0.000 1.385 515 I CB -0.309 37.289 38.000 -0.670 0.000 1.064 515 I HN 0.154 nan 8.210 nan 0.000 0.414 516 L N 1.147 122.301 121.223 -0.116 0.000 2.042 516 L HA -0.181 4.149 4.340 -0.016 0.000 0.210 516 L C 2.529 179.441 176.870 0.069 0.000 1.076 516 L CA 2.163 56.973 54.840 -0.050 0.000 0.749 516 L CB -0.690 41.300 42.059 -0.116 0.000 0.893 516 L HN 0.194 nan 8.230 nan 0.000 0.432 517 A N -0.747 122.101 122.820 0.046 0.000 1.873 517 A HA -0.131 4.179 4.320 -0.016 0.000 0.215 517 A C 2.245 179.863 177.584 0.057 0.000 1.186 517 A CA 1.837 53.943 52.037 0.114 0.000 0.616 517 A CB -0.851 18.263 19.000 0.190 0.000 0.823 517 A HN 0.470 nan 8.150 nan 0.000 0.442 518 L N 0.382 121.606 121.223 0.002 0.000 2.093 518 L HA -0.118 4.213 4.340 -0.016 0.000 0.208 518 L C 2.434 179.274 176.870 -0.050 0.000 1.085 518 L CA 1.497 56.309 54.840 -0.047 0.000 0.755 518 L CB -0.258 41.776 42.059 -0.043 0.000 0.904 518 L HN 0.569 nan 8.230 nan 0.000 0.435 519 S N -1.574 114.103 115.700 -0.038 0.000 2.660 519 S HA -0.001 4.460 4.470 -0.016 0.000 0.227 519 S C 0.795 175.401 174.600 0.011 0.000 0.948 519 S CA -0.440 57.741 58.200 -0.031 0.000 0.948 519 S CB -0.156 63.009 63.200 -0.059 0.000 0.779 519 S HN 0.278 nan 8.310 nan 0.000 0.487 520 Q N 1.266 121.072 119.800 0.011 0.000 2.274 520 Q HA 0.292 4.622 4.340 -0.016 0.000 0.280 520 Q C 1.232 177.156 176.000 -0.127 0.000 1.047 520 Q CA 1.394 57.121 55.803 -0.127 0.000 0.907 520 Q CB 0.309 28.899 28.738 -0.248 0.000 1.171 520 Q HN 0.769 nan 8.270 nan 0.000 0.381 521 G N 4.746 113.469 108.800 -0.130 0.000 2.205 521 G HA2 -0.284 3.666 3.960 -0.016 0.000 0.261 521 G HA3 -0.284 3.666 3.960 -0.016 0.000 0.261 521 G C 0.299 175.172 174.900 -0.044 0.000 0.980 521 G CA 0.345 45.397 45.100 -0.081 0.000 0.632 521 G HN 0.636 nan 8.290 nan 0.000 0.533 522 R N 0.192 120.672 120.500 -0.034 0.000 2.638 522 R HA 0.227 4.557 4.340 -0.016 0.000 0.261 522 R C -1.884 174.406 176.300 -0.016 0.000 1.515 522 R CA -0.954 55.132 56.100 -0.023 0.000 1.623 522 R CB 1.475 31.759 30.300 -0.027 0.000 1.347 522 R HN 0.201 nan 8.270 nan 0.000 0.705 523 P HA -0.238 nan 4.420 nan 0.000 0.222 523 P C 1.159 178.452 177.300 -0.013 0.000 1.147 523 P CA 1.124 64.222 63.100 -0.004 0.000 0.790 523 P CB 0.347 32.047 31.700 -0.001 0.000 0.780 524 Q N 0.228 120.022 119.800 -0.011 0.000 2.291 524 Q HA -0.111 4.220 4.340 -0.016 0.000 0.206 524 Q C 2.019 178.013 176.000 -0.010 0.000 0.976 524 Q CA 1.172 56.971 55.803 -0.007 0.000 0.875 524 Q CB -1.363 27.374 28.738 -0.002 0.000 0.927 524 Q HN 0.321 nan 8.270 nan 0.000 0.450 525 L N 0.562 121.771 121.223 -0.024 0.000 2.275 525 L HA -0.036 4.294 4.340 -0.016 0.000 0.215 525 L C 2.594 179.414 176.870 -0.084 0.000 1.119 525 L CA 0.647 55.460 54.840 -0.045 0.000 0.790 525 L CB -0.586 41.439 42.059 -0.056 0.000 0.919 525 L HN 0.256 nan 8.230 nan 0.000 0.443 526 A N 0.972 123.751 122.820 -0.068 0.000 1.858 526 A HA -0.100 4.211 4.320 -0.016 0.000 0.216 526 A C -0.063 177.546 177.584 0.042 0.000 1.190 526 A CA 1.363 53.351 52.037 -0.081 0.000 0.617 526 A CB -1.704 17.297 19.000 0.002 0.000 0.827 526 A HN 0.252 nan 8.150 nan 0.000 0.443 527 P HA -0.165 nan 4.420 nan 0.000 0.216 527 P C 1.463 178.845 177.300 0.136 0.000 1.153 527 P CA 1.006 64.200 63.100 0.157 0.000 0.858 527 P CB -0.205 31.544 31.700 0.081 0.000 0.789 528 L N -2.315 118.941 121.223 0.054 0.000 2.046 528 L HA -0.153 4.178 4.340 -0.016 0.000 0.208 528 L C 2.617 179.500 176.870 0.022 0.000 1.077 528 L CA 1.581 56.446 54.840 0.042 0.000 0.747 528 L CB -0.842 41.230 42.059 0.022 0.000 0.896 528 L HN -0.018 nan 8.230 nan 0.000 0.432 529 M N -1.438 118.088 119.600 -0.124 0.000 2.086 529 M HA -0.228 4.242 4.480 -0.016 0.000 0.261 529 M C 2.178 178.407 176.300 -0.118 0.000 1.067 529 M CA 2.209 57.293 55.300 -0.360 0.000 1.116 529 M CB -0.403 31.582 32.600 -1.026 0.000 1.348 529 M HN 0.223 nan 8.290 nan 0.000 0.407 530 W N 0.078 121.396 121.300 0.031 0.000 2.363 530 W HA -0.132 4.518 4.660 -0.018 0.000 0.296 530 W C 2.543 179.189 176.519 0.212 0.000 1.212 530 W CA 0.653 58.142 57.345 0.239 0.000 1.260 530 W CB -0.198 29.405 29.460 0.238 0.000 1.131 530 W HN 0.128 nan 8.180 nan 0.000 0.530 531 R N 0.254 120.940 120.500 0.310 0.000 2.091 531 R HA -0.144 4.186 4.340 -0.016 0.000 0.238 531 R C 2.249 178.580 176.300 0.051 0.000 1.136 531 R CA 1.240 57.401 56.100 0.101 0.000 0.959 531 R CB -0.355 29.991 30.300 0.076 0.000 0.856 531 R HN 0.124 nan 8.270 nan 0.000 0.437 532 R N 0.165 120.748 120.500 0.140 0.000 2.120 532 R HA -0.085 4.245 4.340 -0.016 0.000 0.234 532 R C 2.252 178.653 176.300 0.169 0.000 1.123 532 R CA 1.050 57.245 56.100 0.158 0.000 0.975 532 R CB -0.645 29.813 30.300 0.262 0.000 0.866 532 R HN 0.144 nan 8.270 nan 0.000 0.446 533 V N 1.400 121.487 119.914 0.289 0.000 2.270 533 V HA -0.256 3.855 4.120 -0.016 0.000 0.245 533 V C 2.677 178.811 176.094 0.067 0.000 1.043 533 V CA 1.783 64.280 62.300 0.328 0.000 1.014 533 V CB -0.617 31.627 31.823 0.703 0.000 0.645 533 V HN 0.345 nan 8.190 nan 0.000 0.447 534 Q N -0.397 119.213 119.800 -0.316 0.000 2.112 534 Q HA -0.312 4.019 4.340 -0.016 0.000 0.206 534 Q C 2.348 178.163 176.000 -0.307 0.000 0.987 534 Q CA 2.253 57.624 55.803 -0.721 0.000 0.858 534 Q CB -0.087 27.857 28.738 -1.324 0.000 0.905 534 Q HN 0.716 nan 8.270 nan 0.000 0.420 535 Q N -0.389 119.306 119.800 -0.175 0.000 2.079 535 Q HA -0.234 4.097 4.340 -0.016 0.000 0.200 535 Q C 2.094 178.068 176.000 -0.044 0.000 0.974 535 Q CA 1.456 57.204 55.803 -0.092 0.000 0.840 535 Q CB -0.102 28.607 28.738 -0.049 0.000 0.898 535 Q HN 0.272 nan 8.270 nan 0.000 0.430 536 Q N 1.117 120.912 119.800 -0.009 0.000 2.096 536 Q HA -0.144 4.186 4.340 -0.016 0.000 0.204 536 Q C 1.871 177.896 176.000 0.042 0.000 0.982 536 Q CA 1.504 57.317 55.803 0.017 0.000 0.850 536 Q CB -0.288 28.469 28.738 0.033 0.000 0.901 536 Q HN 0.390 nan 8.270 nan 0.000 0.422 537 L N -0.334 120.930 121.223 0.069 0.000 2.012 537 L HA -0.215 4.115 4.340 -0.016 0.000 0.210 537 L C 2.632 179.526 176.870 0.041 0.000 1.073 537 L CA 1.709 56.615 54.840 0.110 0.000 0.748 537 L CB -0.514 41.638 42.059 0.156 0.000 0.891 537 L HN 0.220 nan 8.230 nan 0.000 0.431 538 R N -0.060 120.430 120.500 -0.015 0.000 2.091 538 R HA -0.188 4.142 4.340 -0.016 0.000 0.238 538 R C 2.410 178.697 176.300 -0.022 0.000 1.136 538 R CA 1.533 57.613 56.100 -0.034 0.000 0.959 538 R CB -0.492 29.772 30.300 -0.059 0.000 0.856 538 R HN 0.403 nan 8.270 nan 0.000 0.437 539 A N 0.856 123.668 122.820 -0.013 0.000 1.930 539 A HA -0.111 4.199 4.320 -0.016 0.000 0.217 539 A C 2.116 179.700 177.584 0.000 0.000 1.175 539 A CA 1.100 53.131 52.037 -0.010 0.000 0.627 539 A CB -0.353 18.641 19.000 -0.010 0.000 0.815 539 A HN 0.183 nan 8.150 nan 0.000 0.443 540 I N -0.729 119.853 120.570 0.021 0.000 2.252 540 I HA -0.285 3.875 4.170 -0.016 0.000 0.245 540 I C 2.723 178.850 176.117 0.016 0.000 1.102 540 I CA 1.628 62.952 61.300 0.039 0.000 1.385 540 I CB -0.302 37.752 38.000 0.091 0.000 1.064 540 I HN 0.496 nan 8.210 nan 0.000 0.414 541 Q N 0.987 120.781 119.800 -0.011 0.000 2.112 541 Q HA -0.220 4.111 4.340 -0.016 0.000 0.206 541 Q C 2.219 178.182 176.000 -0.062 0.000 0.987 541 Q CA 2.107 57.867 55.803 -0.071 0.000 0.858 541 Q CB -0.362 28.323 28.738 -0.088 0.000 0.905 541 Q HN 0.574 nan 8.270 nan 0.000 0.420 542 G N 0.094 108.871 108.800 -0.039 0.000 2.432 542 G HA2 -0.255 3.695 3.960 -0.016 0.000 0.219 542 G HA3 -0.255 3.695 3.960 -0.016 0.000 0.219 542 G C 0.968 175.853 174.900 -0.025 0.000 1.135 542 G CA 0.845 45.925 45.100 -0.033 0.000 0.767 542 G HN 0.472 nan 8.290 nan 0.000 0.550 543 E N -0.330 119.862 120.200 -0.013 0.000 2.274 543 E HA 0.112 4.452 4.350 -0.016 0.000 0.194 543 E C 0.717 177.315 176.600 -0.002 0.000 0.996 543 E CA -0.341 56.058 56.400 -0.002 0.000 0.840 543 E CB 0.022 29.729 29.700 0.013 0.000 0.772 543 E HN 0.337 nan 8.360 nan 0.000 0.491 544 L N 1.027 122.242 121.223 -0.014 0.000 2.467 544 L HA 0.017 4.348 4.340 -0.016 0.000 0.270 544 L C 1.093 177.943 176.870 -0.032 0.000 1.205 544 L CA 0.064 54.895 54.840 -0.015 0.000 0.828 544 L CB 0.469 42.500 42.059 -0.047 0.000 1.101 544 L HN -0.161 nan 8.230 nan 0.000 0.479 545 K N 0.412 120.792 120.400 -0.035 0.000 2.353 545 K HA 0.167 4.478 4.320 -0.016 0.000 0.195 545 K C -0.249 176.313 176.600 -0.062 0.000 1.031 545 K CA 0.289 56.549 56.287 -0.046 0.000 1.079 545 K CB 0.454 32.926 32.500 -0.046 0.000 0.857 545 K HN 0.362 nan 8.250 nan 0.000 0.535 546 Q N -0.370 119.390 119.800 -0.067 0.000 2.484 546 Q HA 0.423 4.753 4.340 -0.016 0.000 0.285 546 Q C -2.575 173.370 176.000 -0.091 0.000 1.097 546 Q CA -2.268 53.491 55.803 -0.073 0.000 0.802 546 Q CB 1.321 30.015 28.738 -0.074 0.000 1.444 546 Q HN -0.141 nan 8.270 nan 0.000 0.429 547 P HA 0.082 nan 4.420 nan 0.000 0.269 547 P C -0.532 176.644 177.300 -0.207 0.000 1.209 547 P CA 0.017 63.037 63.100 -0.134 0.000 0.776 547 P CB 0.498 32.139 31.700 -0.098 0.000 0.876 548 S N 0.596 116.078 115.700 -0.362 0.000 2.399 548 S HA 0.272 4.733 4.470 -0.016 0.000 0.198 548 S C -1.936 172.383 174.600 -0.468 0.000 1.294 548 S CA -1.028 56.728 58.200 -0.739 0.000 1.237 548 S CB 0.402 62.820 63.200 -1.303 0.000 1.286 548 S HN 0.231 nan 8.310 nan 0.000 0.404 549 P HA -0.100 nan 4.420 nan 0.000 0.219 549 P C 0.972 178.172 177.300 -0.166 0.000 1.146 549 P CA 1.290 64.292 63.100 -0.163 0.000 0.808 549 P CB 0.179 31.817 31.700 -0.102 0.000 0.779 550 E N -0.394 119.662 120.200 -0.240 0.000 2.110 550 E HA -0.139 4.201 4.350 -0.016 0.000 0.193 550 E C 1.945 178.401 176.600 -0.240 0.000 0.988 550 E CA 0.693 56.877 56.400 -0.360 0.000 0.804 550 E CB -1.033 28.095 29.700 -0.954 0.000 0.745 550 E HN 0.098 nan 8.360 nan 0.000 0.458 551 L N 1.085 122.111 121.223 -0.328 0.000 2.093 551 L HA -0.148 4.183 4.340 -0.016 0.000 0.208 551 L C 1.215 178.088 176.870 0.005 0.000 1.085 551 L CA 1.749 56.525 54.840 -0.107 0.000 0.755 551 L CB -0.468 41.402 42.059 -0.316 0.000 0.904 551 L HN 0.049 nan 8.230 nan 0.000 0.435 552 D N -0.167 120.196 120.400 -0.062 0.000 2.106 552 D HA -0.215 4.416 4.640 -0.016 0.000 0.191 552 D C 2.172 178.542 176.300 0.116 0.000 0.997 552 D CA 1.713 55.718 54.000 0.008 0.000 0.834 552 D CB -0.251 40.533 40.800 -0.027 0.000 0.956 552 D HN 0.432 nan 8.370 nan 0.000 0.448 553 A N 0.721 123.620 122.820 0.133 0.000 1.902 553 A HA -0.149 4.161 4.320 -0.016 0.000 0.217 553 A C 2.233 180.062 177.584 0.409 0.000 1.181 553 A CA 1.180 53.386 52.037 0.280 0.000 0.623 553 A CB -0.805 18.244 19.000 0.082 0.000 0.818 553 A HN 0.237 nan 8.150 nan 0.000 0.443 554 L N -0.002 121.436 121.223 0.359 0.000 2.017 554 L HA -0.134 4.196 4.340 -0.016 0.000 0.208 554 L C 2.277 179.422 176.870 0.458 0.000 1.073 554 L CA 1.875 56.951 54.840 0.393 0.000 0.745 554 L CB -0.393 41.969 42.059 0.505 0.000 0.894 554 L HN 0.442 nan 8.230 nan 0.000 0.432 555 I N -0.195 120.588 120.570 0.355 0.000 2.208 555 I HA -0.303 3.858 4.170 -0.016 0.000 0.245 555 I C 2.338 178.611 176.117 0.261 0.000 1.097 555 I CA 1.269 62.717 61.300 0.247 0.000 1.363 555 I CB -0.581 37.459 38.000 0.068 0.000 1.051 555 I HN 0.374 nan 8.210 nan 0.000 0.413 556 A N 0.323 123.281 122.820 0.229 0.000 2.239 556 A HA 0.218 4.528 4.320 -0.016 0.000 0.209 556 A C 1.774 179.392 177.584 0.056 0.000 1.171 556 A CA 0.887 53.006 52.037 0.137 0.000 0.768 556 A CB -0.799 18.291 19.000 0.151 0.000 0.790 556 A HN 0.640 nan 8.150 nan 0.000 0.478 557 G N -1.311 107.603 108.800 0.191 0.000 2.132 557 G HA2 -0.225 3.725 3.960 -0.016 0.000 0.228 557 G HA3 -0.225 3.725 3.960 -0.016 0.000 0.228 557 G C -0.073 174.706 174.900 -0.202 0.000 1.000 557 G CA 0.251 45.341 45.100 -0.017 0.000 0.693 557 G HN 0.768 nan 8.290 nan 0.000 0.515 558 H N 0.939 120.028 119.070 0.032 0.000 2.615 558 H HA 0.428 4.975 4.556 -0.016 0.000 0.363 558 H C -1.746 173.566 175.328 -0.027 0.000 1.148 558 H CA -0.668 55.390 56.048 0.016 0.000 1.401 558 H CB 0.491 30.291 29.762 0.064 0.000 1.461 558 H HN 0.185 nan 8.280 nan 0.000 0.588 559 P HA -0.014 nan 4.420 nan 0.000 0.269 559 P C -0.873 176.453 177.300 0.044 0.000 1.217 559 P CA -0.038 63.080 63.100 0.030 0.000 0.783 559 P CB 0.631 32.352 31.700 0.036 0.000 0.898 560 V N 0.997 120.927 119.914 0.025 0.000 2.495 560 V HA 0.540 4.651 4.120 -0.016 0.000 0.298 560 V C 0.315 176.403 176.094 -0.010 0.000 1.031 560 V CA -1.063 61.240 62.300 0.006 0.000 0.871 560 V CB 1.283 33.107 31.823 0.002 0.000 0.988 560 V HN 0.679 nan 8.190 nan 0.000 0.432 561 A N 3.208 126.017 122.820 -0.019 0.000 2.488 561 A HA 0.392 4.702 4.320 -0.016 0.000 0.249 561 A C 0.056 177.733 177.584 0.155 0.000 1.083 561 A CA 0.085 52.140 52.037 0.030 0.000 0.768 561 A CB 0.018 18.948 19.000 -0.117 0.000 1.017 561 A HN 1.067 nan 8.150 nan 0.000 0.496 562 C N 4.370 123.781 119.300 0.184 0.000 2.381 562 C HA 0.500 4.950 4.460 -0.016 0.000 0.328 562 C C 0.215 175.058 174.990 -0.244 0.000 1.190 562 C CA -0.909 58.155 59.018 0.076 0.000 1.369 562 C CB 0.065 27.798 27.740 -0.012 0.000 2.029 562 C HN 0.969 nan 8.230 nan 0.000 0.448 563 K N 3.653 123.493 120.400 -0.933 0.000 2.448 563 K HA 0.270 4.580 4.320 -0.016 0.000 0.278 563 K C 0.537 176.681 176.600 -0.761 0.000 1.009 563 K CA 0.466 55.956 56.287 -1.328 0.000 0.995 563 K CB 0.720 32.188 32.500 -1.721 0.000 0.917 563 K HN 0.867 nan 8.250 nan 0.000 0.481 564 T N 0.527 114.731 114.554 -0.584 0.000 2.907 564 T HA 0.284 4.624 4.350 -0.016 0.000 0.284 564 T C 0.524 175.034 174.700 -0.317 0.000 1.004 564 T CA -0.863 61.010 62.100 -0.379 0.000 1.063 564 T CB 1.214 69.883 68.868 -0.332 0.000 0.992 564 T HN 0.556 nan 8.240 nan 0.000 0.483 565 N N 0.423 118.964 118.700 -0.265 0.000 2.257 565 N HA 0.103 4.833 4.740 -0.016 0.000 0.200 565 N C 0.940 176.265 175.510 -0.309 0.000 1.163 565 N CA 0.020 52.896 53.050 -0.290 0.000 0.891 565 N CB 0.567 38.842 38.487 -0.353 0.000 1.067 565 N HN 0.480 nan 8.380 nan 0.000 0.497 566 L N 1.434 122.539 121.223 -0.197 0.000 2.435 566 L HA 0.278 4.608 4.340 -0.016 0.000 0.195 566 L C 2.082 178.953 176.870 0.003 0.000 1.072 566 L CA 1.392 56.180 54.840 -0.087 0.000 0.833 566 L CB -0.430 41.650 42.059 0.035 0.000 1.081 566 L HN -0.225 nan 8.230 nan 0.000 0.485 567 K N -0.209 120.179 120.400 -0.021 0.000 2.074 567 K HA -0.169 4.142 4.320 -0.016 0.000 0.209 567 K C 1.853 178.442 176.600 -0.018 0.000 1.048 567 K CA 2.231 58.522 56.287 0.007 0.000 0.926 567 K CB -0.182 32.165 32.500 -0.255 0.000 0.713 567 K HN 0.417 nan 8.250 nan 0.000 0.444 568 V N 0.015 119.880 119.914 -0.081 0.000 2.469 568 V HA -0.208 3.903 4.120 -0.016 0.000 0.251 568 V C 1.971 178.048 176.094 -0.029 0.000 1.064 568 V CA 1.494 63.755 62.300 -0.066 0.000 1.066 568 V CB -0.684 31.081 31.823 -0.095 0.000 0.667 568 V HN 0.245 nan 8.190 nan 0.000 0.461 569 R N 0.036 120.521 120.500 -0.025 0.000 2.275 569 R HA 0.310 4.640 4.340 -0.016 0.000 0.199 569 R C 1.982 178.290 176.300 0.013 0.000 0.989 569 R CA 0.628 56.723 56.100 -0.008 0.000 1.016 569 R CB -0.335 29.952 30.300 -0.022 0.000 0.918 569 R HN 0.522 nan 8.270 nan 0.000 0.473 570 L N -0.038 121.203 121.223 0.030 0.000 2.286 570 L HA 0.246 4.576 4.340 -0.016 0.000 0.203 570 L C 1.197 178.086 176.870 0.032 0.000 1.068 570 L CA 0.086 54.949 54.840 0.039 0.000 0.811 570 L CB -0.377 41.726 42.059 0.073 0.000 0.989 570 L HN -0.057 nan 8.230 nan 0.000 0.467 571 A N 0.888 123.728 122.820 0.033 0.000 2.425 571 A HA 0.530 4.840 4.320 -0.016 0.000 0.242 571 A C 0.553 178.144 177.584 0.013 0.000 1.077 571 A CA 0.001 52.051 52.037 0.023 0.000 0.781 571 A CB 0.137 19.147 19.000 0.017 0.000 1.020 571 A HN 0.246 nan 8.150 nan 0.000 0.494 572 A N 0.234 123.061 122.820 0.011 0.000 2.555 572 A HA 0.144 4.454 4.320 -0.016 0.000 0.233 572 A C 1.158 178.748 177.584 0.010 0.000 1.060 572 A CA 0.608 52.652 52.037 0.010 0.000 0.759 572 A CB -0.084 18.922 19.000 0.009 0.000 0.995 572 A HN 1.012 nan 8.150 nan 0.000 0.506 573 E N 1.277 121.485 120.200 0.013 0.000 2.153 573 E HA -0.179 4.162 4.350 -0.016 0.000 0.194 573 E C 1.760 178.369 176.600 0.015 0.000 0.988 573 E CA 1.207 57.616 56.400 0.015 0.000 0.811 573 E CB -0.102 29.610 29.700 0.020 0.000 0.746 573 E HN 0.794 nan 8.360 nan 0.000 0.466 574 A N 0.727 123.556 122.820 0.014 0.000 2.235 574 A HA -0.065 4.245 4.320 -0.016 0.000 0.208 574 A C 0.701 178.291 177.584 0.010 0.000 1.172 574 A CA 0.300 52.345 52.037 0.013 0.000 0.786 574 A CB 0.108 19.116 19.000 0.013 0.000 0.804 574 A HN 0.066 nan 8.150 nan 0.000 0.479 575 D N -0.282 120.123 120.400 0.009 0.000 2.557 575 D HA 0.263 4.893 4.640 -0.016 0.000 0.236 575 D C 1.182 177.485 176.300 0.005 0.000 1.154 575 D CA -0.339 53.666 54.000 0.007 0.000 0.985 575 D CB 0.257 41.061 40.800 0.007 0.000 1.010 575 D HN 0.168 nan 8.370 nan 0.000 0.516 576 R N 1.272 121.777 120.500 0.008 0.000 2.105 576 R HA -0.153 4.178 4.340 -0.016 0.000 0.239 576 R C 1.831 178.142 176.300 0.018 0.000 1.135 576 R CA 1.695 57.803 56.100 0.012 0.000 0.967 576 R CB 0.087 30.392 30.300 0.009 0.000 0.861 576 R HN 0.422 nan 8.270 nan 0.000 0.442 577 Q N -1.075 118.732 119.800 0.011 0.000 2.181 577 Q HA -0.128 4.203 4.340 -0.016 0.000 0.205 577 Q C 1.839 177.842 176.000 0.005 0.000 0.980 577 Q CA 1.624 57.433 55.803 0.011 0.000 0.862 577 Q CB -0.140 28.600 28.738 0.002 0.000 0.905 577 Q HN 0.449 nan 8.270 nan 0.000 0.429 578 A N 0.623 123.436 122.820 -0.012 0.000 2.209 578 A HA -0.102 4.209 4.320 -0.016 0.000 0.212 578 A C 2.079 179.611 177.584 -0.086 0.000 1.158 578 A CA 1.195 53.205 52.037 -0.044 0.000 0.742 578 A CB -0.359 18.624 19.000 -0.027 0.000 0.790 578 A HN 0.417 nan 8.150 nan 0.000 0.472 579 S N -2.072 113.591 115.700 -0.062 0.000 2.461 579 S HA 0.138 4.599 4.470 -0.016 0.000 0.228 579 S C 0.287 174.694 174.600 -0.322 0.000 1.005 579 S CA 0.162 58.268 58.200 -0.156 0.000 0.942 579 S CB -0.342 62.813 63.200 -0.075 0.000 0.776 579 S HN 0.444 nan 8.310 nan 0.000 0.514 580 Y N 0.294 120.505 120.300 -0.149 0.000 2.545 580 Y HA 0.639 5.179 4.550 -0.016 0.000 0.348 580 Y C -0.089 175.717 175.900 -0.157 0.000 1.002 580 Y CA -1.035 56.965 58.100 -0.168 0.000 1.039 580 Y CB 2.249 40.627 38.460 -0.137 0.000 1.271 580 Y HN 0.111 nan 8.280 nan 0.000 0.467 581 V N -0.831 119.092 119.914 0.016 0.000 3.145 581 V HA 0.748 4.858 4.120 -0.016 0.000 0.311 581 V C -1.017 175.079 176.094 0.004 0.000 1.238 581 V CA -1.344 60.936 62.300 -0.033 0.000 1.066 581 V CB 2.281 34.029 31.823 -0.124 0.000 1.144 581 V HN 0.656 nan 8.190 nan 0.000 0.465 582 R N 0.948 121.435 120.500 -0.021 0.000 2.494 582 R HA 0.728 5.058 4.340 -0.016 0.000 0.305 582 R C -1.439 174.855 176.300 -0.010 0.000 0.959 582 R CA -0.520 55.576 56.100 -0.008 0.000 0.864 582 R CB 1.820 32.117 30.300 -0.006 0.000 1.159 582 R HN 0.738 nan 8.270 nan 0.000 0.446 583 L N 3.829 125.060 121.223 0.014 0.000 2.346 583 L HA 0.486 4.816 4.340 -0.016 0.000 0.274 583 L C -2.211 174.700 176.870 0.068 0.000 1.007 583 L CA -2.429 52.446 54.840 0.058 0.000 0.818 583 L CB 2.135 44.268 42.059 0.123 0.000 1.284 583 L HN 0.192 nan 8.230 nan 0.000 0.424 584 P HA -0.048 nan 4.420 nan 0.000 0.265 584 P C -0.266 176.898 177.300 -0.226 0.000 1.187 584 P CA 0.103 63.145 63.100 -0.095 0.000 0.766 584 P CB 0.637 32.270 31.700 -0.111 0.000 0.820 585 S N 3.830 119.321 115.700 -0.349 0.000 2.558 585 S HA 0.074 4.535 4.470 -0.016 0.000 0.288 585 S C -1.332 172.701 174.600 -0.944 0.000 1.318 585 S CA -0.892 56.886 58.200 -0.704 0.000 1.056 585 S CB -0.317 62.457 63.200 -0.710 0.000 0.853 585 S HN 0.273 nan 8.310 nan 0.000 0.505 586 P HA 0.077 nan 4.420 nan 0.000 0.222 586 P C -0.157 176.783 177.300 -0.601 0.000 1.147 586 P CA 0.915 63.245 63.100 -1.284 0.000 0.790 586 P CB 0.020 30.519 31.700 -2.002 0.000 0.780 587 W N -1.209 119.889 121.300 -0.336 0.000 3.400 587 W HA 0.776 5.426 4.660 -0.017 0.000 0.555 587 W C 0.020 176.441 176.519 -0.163 0.000 1.341 587 W CA -0.127 57.106 57.345 -0.187 0.000 0.877 587 W CB -0.232 29.159 29.460 -0.115 0.000 2.866 587 W HN -0.035 nan 8.180 nan 0.000 0.698 588 G N 0.000 108.982 108.800 0.304 0.000 5.446 588 G HA2 0.000 3.950 3.960 -0.016 0.000 0.244 588 G HA3 0.000 3.950 3.960 -0.016 0.000 0.244 588 G CA 0.000 45.163 45.100 0.104 0.000 0.502 588 G HN 0.000 nan 8.290 nan 0.000 0.925