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 3q16_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNVIAILNHM GVYFKEEPIR ELHRALERLN FQIVYPNDRD DLLKLIENNA DATA SEQUENCE RLCGVIFDWD KYNLELCEEI SKMNENLPLY AFANTYSTLD VSLNDLRLQI DATA SEQUENCE SFFEYALGAA EDIANKIKQT TDEYINTILP PLTKALFKYV REGKYTFCTP DATA SEQUENCE GHMGGTAFQK SPVGSLFYDF FGPNTMKSDI SISVSELGSL LDHSGPHKEA DATA SEQUENCE EQYIARVFNA DRSYMVTNGT STANKIVGMY SAPAGSTILI DRNCHKSLTH DATA SEQUENCE LMMMSDVTPI YFRPTRNAYG ILGGIPQSEF QHATIAKRVK ETPNATWPVH DATA SEQUENCE AVITNSTYDG LLYNTDFIKK TLDVKSIHFD SAWVPYTNFS PIYEGKCGMS DATA SEQUENCE GGRVEGKVIY ETQSTHXLLA AFSQASMIHV KGDVNEETFN EAYMMHTTTS DATA SEQUENCE PHYGIVASTE TAAAMMKGNA GKRLINGSIE RAIKFRKEIK RLRTESDGWF DATA SEQUENCE FDVWQPDHID TTECWPLRSD STWHGFKNID NEHMYLDPIK VTLLTPGMEK DATA SEQUENCE DGTMSDFGIP ASIVAKYLDE HGIVVEKTGP YNLLFLFSIG IDKTKALSLL DATA SEQUENCE RALTDFKRAF DLNLRVKNML PSLYREDPEF YENMRIQELA QNIHKLIVHH DATA SEQUENCE NLPDLMYRAF EVLPTMVMTP YAAFQKELHG MTEEVYLDEM VGRINANMIL DATA SEQUENCE PYPPGVPLVM PGEMITEESR PVLEFLQMLC EIGAHYPGFE TDIHGAYRQA DATA SEQUENCE DGRYTVKVLK E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.344 176.300 0.073 0.000 1.140 1 M CA 0.000 55.343 55.300 0.072 0.000 0.988 1 M CB 0.000 32.650 32.600 0.084 0.000 1.302 2 N N 0.559 119.305 118.700 0.077 0.000 2.595 2 N HA 0.250 4.989 4.740 -0.001 0.000 0.291 2 N C -1.488 174.151 175.510 0.216 0.000 1.706 2 N CA -0.245 52.870 53.050 0.108 0.000 0.867 2 N CB 0.612 39.015 38.487 -0.140 0.000 1.414 2 N HN 0.200 nan 8.380 nan 0.000 0.492 3 V N 1.847 121.872 119.914 0.185 0.000 2.334 3 V HA 0.485 4.605 4.120 -0.001 0.000 0.281 3 V C -0.419 175.715 176.094 0.067 0.000 1.016 3 V CA -0.556 61.808 62.300 0.107 0.000 0.832 3 V CB 1.495 33.351 31.823 0.056 0.000 0.999 3 V HN 0.194 nan 8.190 nan 0.000 0.439 4 I N 4.233 124.809 120.570 0.009 0.000 2.389 4 I HA 0.659 4.829 4.170 -0.001 0.000 0.288 4 I C 0.394 176.435 176.117 -0.126 0.000 0.999 4 I CA -0.597 60.649 61.300 -0.090 0.000 1.129 4 I CB 1.648 39.506 38.000 -0.237 0.000 1.288 4 I HN 0.633 nan 8.210 nan 0.000 0.444 5 A N 7.843 130.599 122.820 -0.107 0.000 2.290 5 A HA 0.823 5.143 4.320 -0.001 0.000 0.310 5 A C -0.347 177.134 177.584 -0.171 0.000 1.202 5 A CA -0.426 51.521 52.037 -0.151 0.000 0.837 5 A CB 0.655 19.601 19.000 -0.091 0.000 1.139 5 A HN 0.657 nan 8.150 nan 0.000 0.509 6 I N 2.628 123.007 120.570 -0.318 0.000 2.406 6 I HA 0.305 4.474 4.170 -0.001 0.000 0.290 6 I C -0.801 175.232 176.117 -0.140 0.000 0.999 6 I CA -0.654 60.496 61.300 -0.250 0.000 1.124 6 I CB 1.729 39.505 38.000 -0.373 0.000 1.289 6 I HN 0.561 nan 8.210 nan 0.000 0.441 7 L N 7.334 128.524 121.223 -0.055 0.000 2.309 7 L HA 0.526 4.865 4.340 -0.001 0.000 0.282 7 L C -0.088 176.765 176.870 -0.028 0.000 1.036 7 L CA 0.149 54.942 54.840 -0.078 0.000 0.806 7 L CB 0.835 42.775 42.059 -0.198 0.000 1.220 7 L HN 0.705 nan 8.230 nan 0.000 0.429 8 N N 2.057 120.739 118.700 -0.029 0.000 4.287 8 N HA -0.196 4.544 4.740 -0.001 0.000 0.330 8 N C -1.204 174.266 175.510 -0.066 0.000 2.095 8 N CA 0.322 53.392 53.050 0.033 0.000 2.979 8 N CB -0.140 38.473 38.487 0.211 0.000 0.324 8 N HN 0.787 nan 8.380 nan 0.000 0.781 9 H N 1.786 120.891 119.070 0.059 0.000 2.551 9 H HA 0.231 4.786 4.556 -0.001 0.000 0.358 9 H C 0.921 176.262 175.328 0.021 0.000 1.151 9 H CA -0.144 55.913 56.048 0.014 0.000 1.374 9 H CB 0.680 30.441 29.762 -0.002 0.000 1.473 9 H HN 0.402 nan 8.280 nan 0.000 0.574 10 M N 0.769 120.429 119.600 0.100 0.000 2.538 10 M HA 0.199 4.678 4.480 -0.001 0.000 0.259 10 M C 1.755 178.077 176.300 0.037 0.000 1.217 10 M CA 0.936 56.252 55.300 0.027 0.000 1.131 10 M CB -0.214 32.319 32.600 -0.112 0.000 1.382 10 M HN 0.987 nan 8.290 nan 0.000 0.520 11 G N 1.137 109.967 108.800 0.050 0.000 2.267 11 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.257 11 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.257 11 G C 0.261 175.203 174.900 0.070 0.000 0.998 11 G CA 0.475 45.606 45.100 0.051 0.000 0.620 11 G HN 0.518 nan 8.290 nan 0.000 0.529 12 V N -2.602 117.347 119.914 0.058 0.000 2.547 12 V HA 0.754 4.874 4.120 -0.001 0.000 0.299 12 V C 0.993 177.144 176.094 0.095 0.000 1.040 12 V CA -0.467 61.913 62.300 0.134 0.000 0.913 12 V CB 1.655 33.627 31.823 0.248 0.000 0.992 12 V HN 0.283 nan 8.190 nan 0.000 0.449 13 Y N 3.944 124.296 120.300 0.086 0.000 2.337 13 Y HA -0.047 4.502 4.550 -0.001 0.000 0.293 13 Y C 1.912 177.837 175.900 0.043 0.000 1.123 13 Y CA 1.942 60.070 58.100 0.047 0.000 1.201 13 Y CB 0.029 38.529 38.460 0.065 0.000 1.011 13 Y HN 0.775 nan 8.280 nan 0.000 0.545 14 F N -0.421 119.540 119.950 0.018 0.000 2.641 14 F HA 0.110 4.637 4.527 -0.001 0.000 0.298 14 F C 1.363 177.039 175.800 -0.207 0.000 1.146 14 F CA 0.714 58.689 58.000 -0.042 0.000 1.464 14 F CB -0.463 38.550 39.000 0.021 0.000 1.101 14 F HN -0.138 nan 8.300 nan 0.000 0.585 15 K N 0.203 120.023 120.400 -0.966 0.000 2.367 15 K HA 0.090 4.409 4.320 -0.001 0.000 0.198 15 K C 1.799 178.047 176.600 -0.586 0.000 1.132 15 K CA 0.569 56.119 56.287 -1.229 0.000 0.941 15 K CB 0.093 31.696 32.500 -1.495 0.000 1.052 15 K HN 0.254 nan 8.250 nan 0.000 0.507 16 E N 1.154 121.091 120.200 -0.439 0.000 2.072 16 E HA -0.181 4.168 4.350 -0.001 0.000 0.190 16 E C 1.754 178.152 176.600 -0.336 0.000 0.982 16 E CA 1.026 57.240 56.400 -0.310 0.000 0.803 16 E CB 0.208 29.780 29.700 -0.213 0.000 0.755 16 E HN 0.139 nan 8.360 nan 0.000 0.453 17 E N 0.510 120.392 120.200 -0.531 0.000 2.072 17 E HA -0.099 4.250 4.350 -0.001 0.000 0.191 17 E C -0.960 175.507 176.600 -0.221 0.000 0.985 17 E CA 1.132 57.248 56.400 -0.474 0.000 0.801 17 E CB -0.722 28.488 29.700 -0.818 0.000 0.750 17 E HN 0.112 nan 8.360 nan 0.000 0.452 18 P HA -0.120 nan 4.420 nan 0.000 0.218 18 P C 1.062 178.303 177.300 -0.099 0.000 1.149 18 P CA 0.946 64.013 63.100 -0.056 0.000 0.817 18 P CB 0.050 31.788 31.700 0.062 0.000 0.785 19 I N -0.642 119.835 120.570 -0.155 0.000 2.202 19 I HA -0.157 4.012 4.170 -0.001 0.000 0.242 19 I C 2.312 178.389 176.117 -0.066 0.000 1.091 19 I CA 1.497 62.693 61.300 -0.173 0.000 1.368 19 I CB -1.099 36.793 38.000 -0.180 0.000 1.058 19 I HN 0.001 nan 8.210 nan 0.000 0.410 20 R N 0.513 120.972 120.500 -0.068 0.000 2.120 20 R HA -0.169 4.170 4.340 -0.001 0.000 0.234 20 R C 2.075 178.403 176.300 0.047 0.000 1.123 20 R CA 1.182 57.276 56.100 -0.010 0.000 0.975 20 R CB -0.115 30.148 30.300 -0.063 0.000 0.866 20 R HN 0.496 nan 8.270 nan 0.000 0.446 21 E N 0.305 120.504 120.200 -0.002 0.000 2.107 21 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 21 E C 1.855 178.453 176.600 -0.003 0.000 0.982 21 E CA 0.613 57.017 56.400 0.006 0.000 0.809 21 E CB 0.011 29.708 29.700 -0.006 0.000 0.756 21 E HN 0.095 nan 8.360 nan 0.000 0.459 22 L N 0.996 122.204 121.223 -0.026 0.000 2.141 22 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 22 L C 2.341 179.184 176.870 -0.045 0.000 1.094 22 L CA 1.697 56.498 54.840 -0.066 0.000 0.763 22 L CB -0.494 41.498 42.059 -0.112 0.000 0.908 22 L HN 0.225 nan 8.230 nan 0.000 0.437 23 H N 0.041 119.070 119.070 -0.068 0.000 2.319 23 H HA -0.164 4.392 4.556 -0.001 0.000 0.299 23 H C 2.176 177.499 175.328 -0.008 0.000 1.092 23 H CA 2.027 58.059 56.048 -0.026 0.000 1.302 23 H CB 0.207 30.003 29.762 0.056 0.000 1.373 23 H HN 0.337 nan 8.280 nan 0.000 0.497 24 R N 0.014 120.488 120.500 -0.043 0.000 2.092 24 R HA -0.014 4.325 4.340 -0.001 0.000 0.231 24 R C 2.616 178.866 176.300 -0.083 0.000 1.119 24 R CA 0.840 56.891 56.100 -0.081 0.000 0.970 24 R CB -0.141 30.173 30.300 0.023 0.000 0.864 24 R HN 0.318 nan 8.270 nan 0.000 0.440 25 A N 1.101 123.883 122.820 -0.063 0.000 1.930 25 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 25 A C 2.120 179.673 177.584 -0.052 0.000 1.175 25 A CA 1.007 53.012 52.037 -0.055 0.000 0.627 25 A CB -0.372 18.592 19.000 -0.061 0.000 0.815 25 A HN 0.160 nan 8.150 nan 0.000 0.443 26 L N -0.803 120.366 121.223 -0.090 0.000 2.109 26 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 26 L C 2.490 179.410 176.870 0.083 0.000 1.086 26 L CA 1.199 56.014 54.840 -0.041 0.000 0.760 26 L CB -0.403 41.536 42.059 -0.201 0.000 0.910 26 L HN 0.447 nan 8.230 nan 0.000 0.437 27 E N -0.124 120.036 120.200 -0.067 0.000 2.204 27 E HA -0.185 4.165 4.350 -0.001 0.000 0.194 27 E C 2.229 178.810 176.600 -0.031 0.000 0.989 27 E CA 0.674 57.032 56.400 -0.070 0.000 0.824 27 E CB 0.070 29.653 29.700 -0.194 0.000 0.756 27 E HN 0.414 nan 8.360 nan 0.000 0.477 28 R N 0.110 120.597 120.500 -0.022 0.000 2.189 28 R HA 0.015 4.354 4.340 -0.001 0.000 0.218 28 R C 1.558 177.856 176.300 -0.004 0.000 1.074 28 R CA 0.493 56.584 56.100 -0.016 0.000 0.991 28 R CB 0.061 30.352 30.300 -0.015 0.000 0.883 28 R HN 0.127 nan 8.270 nan 0.000 0.457 29 L N 1.472 122.724 121.223 0.049 0.000 2.688 29 L HA 0.105 4.445 4.340 -0.001 0.000 0.234 29 L C -0.430 176.352 176.870 -0.147 0.000 1.192 29 L CA -0.181 54.688 54.840 0.049 0.000 0.984 29 L CB -0.120 42.087 42.059 0.245 0.000 1.232 29 L HN 0.206 nan 8.230 nan 0.000 0.465 30 N N -0.113 118.506 118.700 -0.136 0.000 2.738 30 N HA -0.217 4.523 4.740 -0.001 0.000 0.249 30 N C -0.842 174.435 175.510 -0.390 0.000 1.047 30 N CA 1.034 53.944 53.050 -0.233 0.000 0.707 30 N CB -1.578 36.758 38.487 -0.252 0.000 0.937 30 N HN 0.181 nan 8.380 nan 0.000 0.545 31 F N 0.477 120.382 119.950 -0.074 0.000 2.469 31 F HA 0.321 4.847 4.527 -0.001 0.000 0.332 31 F C 1.095 176.847 175.800 -0.079 0.000 1.103 31 F CA -0.711 57.244 58.000 -0.075 0.000 0.979 31 F CB 1.528 40.472 39.000 -0.093 0.000 1.137 31 F HN -0.090 nan 8.300 nan 0.000 0.463 32 Q N 4.008 123.884 119.800 0.126 0.000 2.294 32 Q HA 0.370 4.710 4.340 -0.001 0.000 0.257 32 Q C -1.041 174.993 176.000 0.057 0.000 0.955 32 Q CA -0.582 55.261 55.803 0.066 0.000 0.936 32 Q CB 0.756 29.519 28.738 0.042 0.000 1.188 32 Q HN 0.437 nan 8.270 nan 0.000 0.420 33 I N 5.611 126.206 120.570 0.041 0.000 2.321 33 I HA 0.225 4.395 4.170 -0.001 0.000 0.291 33 I C 0.135 176.235 176.117 -0.029 0.000 0.998 33 I CA -0.578 60.711 61.300 -0.017 0.000 1.227 33 I CB 0.792 38.827 38.000 0.058 0.000 1.368 33 I HN 0.392 nan 8.210 nan 0.000 0.466 34 V N 4.620 124.453 119.914 -0.135 0.000 2.630 34 V HA 0.535 4.654 4.120 -0.001 0.000 0.305 34 V C -1.202 174.743 176.094 -0.248 0.000 1.046 34 V CA -0.729 61.521 62.300 -0.084 0.000 0.934 34 V CB 1.689 33.493 31.823 -0.032 0.000 1.003 34 V HN 0.507 nan 8.190 nan 0.000 0.451 35 Y N 4.581 124.869 120.300 -0.020 0.000 2.686 35 Y HA 0.549 5.099 4.550 -0.001 0.000 0.331 35 Y C -2.026 173.845 175.900 -0.049 0.000 0.996 35 Y CA -2.092 55.975 58.100 -0.055 0.000 1.293 35 Y CB 1.354 39.764 38.460 -0.084 0.000 1.092 35 Y HN 0.611 nan 8.280 nan 0.000 0.524 36 P HA 0.166 nan 4.420 nan 0.000 0.272 36 P C -0.419 176.898 177.300 0.028 0.000 1.223 36 P CA 0.032 63.142 63.100 0.016 0.000 0.784 36 P CB 1.683 33.361 31.700 -0.036 0.000 0.923 37 N N 0.402 119.123 118.700 0.034 0.000 2.258 37 N HA -0.049 4.691 4.740 -0.001 0.000 0.183 37 N C 0.240 175.784 175.510 0.056 0.000 1.029 37 N CA 0.915 53.998 53.050 0.055 0.000 0.857 37 N CB -0.024 38.499 38.487 0.060 0.000 1.008 37 N HN 0.645 nan 8.380 nan 0.000 0.433 38 D N -1.764 118.660 120.400 0.039 0.000 2.687 38 D HA 0.285 4.925 4.640 -0.001 0.000 0.264 38 D C 0.614 176.925 176.300 0.019 0.000 1.091 38 D CA -0.825 53.211 54.000 0.060 0.000 1.123 38 D CB 1.112 41.953 40.800 0.068 0.000 1.407 38 D HN -0.312 nan 8.370 nan 0.000 0.591 39 R N -0.189 120.355 120.500 0.074 0.000 2.070 39 R HA -0.130 4.210 4.340 -0.001 0.000 0.233 39 R C 0.591 176.886 176.300 -0.008 0.000 1.137 39 R CA 1.860 57.985 56.100 0.042 0.000 0.945 39 R CB -0.732 29.651 30.300 0.138 0.000 0.845 39 R HN 0.570 nan 8.270 nan 0.000 0.430 40 D N -0.024 120.382 120.400 0.010 0.000 2.277 40 D HA -0.100 4.540 4.640 -0.001 0.000 0.208 40 D C 1.342 177.638 176.300 -0.007 0.000 0.962 40 D CA 0.818 54.817 54.000 -0.001 0.000 0.865 40 D CB -0.203 40.602 40.800 0.008 0.000 0.939 40 D HN 0.255 nan 8.370 nan 0.000 0.510 41 D N -0.222 120.175 120.400 -0.004 0.000 2.144 41 D HA -0.103 4.536 4.640 -0.001 0.000 0.200 41 D C 1.795 178.082 176.300 -0.021 0.000 0.978 41 D CA 0.380 54.377 54.000 -0.005 0.000 0.833 41 D CB 0.033 40.836 40.800 0.006 0.000 0.961 41 D HN 0.108 nan 8.370 nan 0.000 0.470 42 L N 0.093 121.289 121.223 -0.045 0.000 2.109 42 L HA 0.054 4.394 4.340 -0.001 0.000 0.207 42 L C 2.051 178.888 176.870 -0.055 0.000 1.086 42 L CA 1.274 56.075 54.840 -0.066 0.000 0.760 42 L CB -0.455 41.532 42.059 -0.119 0.000 0.910 42 L HN 0.087 nan 8.230 nan 0.000 0.437 43 L N -0.685 120.509 121.223 -0.048 0.000 2.093 43 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 43 L C 2.425 179.282 176.870 -0.022 0.000 1.085 43 L CA 0.878 55.696 54.840 -0.038 0.000 0.755 43 L CB -0.671 41.369 42.059 -0.032 0.000 0.904 43 L HN 0.163 nan 8.230 nan 0.000 0.435 44 K N 0.156 120.547 120.400 -0.015 0.000 2.288 44 K HA -0.007 4.312 4.320 -0.001 0.000 0.201 44 K C 2.086 178.684 176.600 -0.004 0.000 1.048 44 K CA 0.839 57.122 56.287 -0.005 0.000 0.956 44 K CB -0.158 32.342 32.500 -0.000 0.000 0.746 44 K HN 0.308 nan 8.250 nan 0.000 0.461 45 L N 0.570 121.787 121.223 -0.010 0.000 2.017 45 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 45 L C 2.228 179.095 176.870 -0.004 0.000 1.073 45 L CA 1.179 56.015 54.840 -0.007 0.000 0.745 45 L CB -0.362 41.689 42.059 -0.015 0.000 0.894 45 L HN 0.061 nan 8.230 nan 0.000 0.432 46 I N -0.922 119.641 120.570 -0.010 0.000 2.394 46 I HA -0.247 3.923 4.170 -0.001 0.000 0.251 46 I C 2.479 178.599 176.117 0.005 0.000 1.136 46 I CA 1.074 62.372 61.300 -0.004 0.000 1.425 46 I CB -0.372 37.619 38.000 -0.015 0.000 1.079 46 I HN 0.296 nan 8.210 nan 0.000 0.425 47 E N 1.310 121.511 120.200 0.002 0.000 2.072 47 E HA -0.199 4.151 4.350 -0.001 0.000 0.191 47 E C 1.837 178.443 176.600 0.011 0.000 0.985 47 E CA 1.153 57.557 56.400 0.007 0.000 0.801 47 E CB 0.153 29.855 29.700 0.005 0.000 0.750 47 E HN 0.478 nan 8.360 nan 0.000 0.452 48 N N 0.494 119.200 118.700 0.010 0.000 2.336 48 N HA -0.018 4.722 4.740 -0.001 0.000 0.177 48 N C -0.136 175.382 175.510 0.013 0.000 1.018 48 N CA 0.434 53.490 53.050 0.012 0.000 0.878 48 N CB 0.112 38.605 38.487 0.011 0.000 0.997 48 N HN 0.091 nan 8.380 nan 0.000 0.433 49 N N 0.689 119.398 118.700 0.014 0.000 2.444 49 N HA 0.275 5.015 4.740 -0.001 0.000 0.262 49 N C 0.229 175.755 175.510 0.026 0.000 0.974 49 N CA -0.108 52.952 53.050 0.018 0.000 0.933 49 N CB 2.032 40.529 38.487 0.016 0.000 1.137 49 N HN 0.032 nan 8.380 nan 0.000 0.498 50 A N 2.436 125.275 122.820 0.032 0.000 2.072 50 A HA -0.004 4.316 4.320 -0.001 0.000 0.216 50 A C 1.789 179.415 177.584 0.070 0.000 1.156 50 A CA 0.668 52.734 52.037 0.049 0.000 0.701 50 A CB 0.012 19.038 19.000 0.043 0.000 0.816 50 A HN 0.523 nan 8.150 nan 0.000 0.458 51 R N -0.854 119.680 120.500 0.057 0.000 2.323 51 R HA 0.187 4.527 4.340 -0.001 0.000 0.198 51 R C 0.049 176.397 176.300 0.079 0.000 0.988 51 R CA -0.194 55.949 56.100 0.071 0.000 1.041 51 R CB -0.386 29.941 30.300 0.046 0.000 0.926 51 R HN 0.472 nan 8.270 nan 0.000 0.476 52 L N 0.679 121.938 121.223 0.059 0.000 2.410 52 L HA 0.013 4.353 4.340 -0.001 0.000 0.273 52 L C 0.568 177.453 176.870 0.025 0.000 1.152 52 L CA -0.080 54.782 54.840 0.037 0.000 0.855 52 L CB 0.788 42.853 42.059 0.011 0.000 1.129 52 L HN 0.327 nan 8.230 nan 0.000 0.463 53 C N 1.360 120.660 119.300 0.000 0.000 3.596 53 C HA 0.680 5.140 4.460 -0.001 0.000 0.268 53 C C 0.353 175.279 174.990 -0.108 0.000 1.912 53 C CA -0.091 58.860 59.018 -0.112 0.000 1.721 53 C CB -0.852 26.913 27.740 0.040 0.000 3.328 53 C HN 0.860 nan 8.230 nan 0.000 0.500 54 G N 0.462 109.246 108.800 -0.027 0.000 2.734 54 G HA2 0.577 4.537 3.960 -0.001 0.000 0.293 54 G HA3 0.577 4.537 3.960 -0.001 0.000 0.293 54 G C -1.575 173.371 174.900 0.077 0.000 1.422 54 G CA -0.205 44.949 45.100 0.090 0.000 1.177 54 G HN 0.386 nan 8.290 nan 0.000 0.565 55 V N 3.866 123.873 119.914 0.155 0.000 2.349 55 V HA 0.434 4.554 4.120 -0.001 0.000 0.284 55 V C -0.109 176.192 176.094 0.345 0.000 1.014 55 V CA -0.547 61.855 62.300 0.169 0.000 0.826 55 V CB 1.198 33.087 31.823 0.109 0.000 1.009 55 V HN 0.670 nan 8.190 nan 0.000 0.431 56 I N 6.947 127.669 120.570 0.253 0.000 2.321 56 I HA 0.622 4.792 4.170 -0.001 0.000 0.291 56 I C -0.540 175.756 176.117 0.298 0.000 0.998 56 I CA -0.320 61.137 61.300 0.262 0.000 1.227 56 I CB 0.912 38.977 38.000 0.109 0.000 1.368 56 I HN 0.682 nan 8.210 nan 0.000 0.466 57 F N 2.940 123.007 119.950 0.194 0.000 2.654 57 F HA 0.481 5.007 4.527 -0.001 0.000 0.308 57 F C -0.851 175.153 175.800 0.340 0.000 1.108 57 F CA -1.526 56.572 58.000 0.163 0.000 0.957 57 F CB 0.793 39.824 39.000 0.052 0.000 1.309 57 F HN 0.283 nan 8.300 nan 0.000 0.446 58 D N 3.169 123.839 120.400 0.450 0.000 2.383 58 D HA -0.019 4.621 4.640 -0.001 0.000 0.252 58 D C 0.671 177.297 176.300 0.544 0.000 1.166 58 D CA -0.113 54.166 54.000 0.466 0.000 0.879 58 D CB 0.701 41.770 40.800 0.449 0.000 1.164 58 D HN 0.679 nan 8.370 nan 0.000 0.462 59 W N 4.066 125.514 121.300 0.246 0.000 2.388 59 W HA -0.145 4.515 4.660 -0.000 0.000 0.294 59 W C 0.436 177.146 176.519 0.318 0.000 1.212 59 W CA 0.680 58.202 57.345 0.295 0.000 1.271 59 W CB 0.233 29.837 29.460 0.241 0.000 1.126 59 W HN 0.492 nan 8.180 nan 0.000 0.535 60 D N 0.093 120.666 120.400 0.288 0.000 2.363 60 D HA -0.091 4.549 4.640 -0.001 0.000 0.220 60 D C 1.715 178.036 176.300 0.034 0.000 0.994 60 D CA 1.052 55.127 54.000 0.124 0.000 0.890 60 D CB 0.070 41.004 40.800 0.224 0.000 0.906 60 D HN 0.279 nan 8.370 nan 0.000 0.530 61 K N -0.772 119.678 120.400 0.083 0.000 2.365 61 K HA 0.033 4.353 4.320 -0.001 0.000 0.195 61 K C 0.019 176.403 176.600 -0.360 0.000 1.079 61 K CA 0.139 56.369 56.287 -0.096 0.000 0.979 61 K CB 0.690 33.195 32.500 0.009 0.000 0.929 61 K HN -0.019 nan 8.250 nan 0.000 0.523 62 Y N 0.426 120.765 120.300 0.065 0.000 2.577 62 Y HA 0.173 4.723 4.550 -0.001 0.000 0.307 62 Y C 0.579 176.385 175.900 -0.156 0.000 0.940 62 Y CA -0.720 57.360 58.100 -0.033 0.000 1.132 62 Y CB 0.353 38.793 38.460 -0.033 0.000 1.184 62 Y HN 0.065 nan 8.280 nan 0.000 0.611 63 N N 0.722 119.286 118.700 -0.227 0.000 2.148 63 N HA -0.079 4.661 4.740 -0.001 0.000 0.186 63 N C 1.223 176.541 175.510 -0.320 0.000 1.031 63 N CA 1.751 54.462 53.050 -0.565 0.000 0.848 63 N CB 0.034 38.059 38.487 -0.770 0.000 1.005 63 N HN 0.451 nan 8.380 nan 0.000 0.427 64 L N -0.003 121.099 121.223 -0.201 0.000 2.307 64 L HA 0.150 4.490 4.340 -0.001 0.000 0.211 64 L C 2.134 178.955 176.870 -0.082 0.000 1.099 64 L CA 0.339 55.109 54.840 -0.117 0.000 0.816 64 L CB -0.321 41.682 42.059 -0.092 0.000 0.952 64 L HN 0.107 nan 8.230 nan 0.000 0.455 65 E N 0.950 121.103 120.200 -0.077 0.000 2.008 65 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 65 E C 2.298 178.867 176.600 -0.052 0.000 0.986 65 E CA 1.238 57.615 56.400 -0.038 0.000 0.807 65 E CB -0.479 29.232 29.700 0.019 0.000 0.766 65 E HN 0.420 nan 8.360 nan 0.000 0.450 66 L N 0.539 121.703 121.223 -0.098 0.000 2.068 66 L HA -0.066 4.274 4.340 -0.001 0.000 0.204 66 L C 2.786 179.576 176.870 -0.133 0.000 1.076 66 L CA 0.747 55.487 54.840 -0.166 0.000 0.753 66 L CB -0.474 41.363 42.059 -0.370 0.000 0.910 66 L HN 0.129 nan 8.230 nan 0.000 0.439 67 C N -0.145 119.085 119.300 -0.115 0.000 2.401 67 C HA -0.179 4.280 4.460 -0.001 0.000 0.286 67 C C 2.603 177.589 174.990 -0.007 0.000 1.332 67 C CA 0.958 59.960 59.018 -0.027 0.000 1.795 67 C CB -0.993 26.782 27.740 0.059 0.000 1.922 67 C HN 0.518 nan 8.230 nan 0.000 0.520 68 E N 0.009 120.196 120.200 -0.021 0.000 2.276 68 E HA -0.064 4.285 4.350 -0.001 0.000 0.193 68 E C 1.954 178.544 176.600 -0.017 0.000 0.983 68 E CA 0.415 56.809 56.400 -0.010 0.000 0.861 68 E CB 0.169 29.863 29.700 -0.009 0.000 0.817 68 E HN 0.539 nan 8.360 nan 0.000 0.485 69 E N 0.491 120.672 120.200 -0.032 0.000 2.190 69 E HA -0.048 4.302 4.350 -0.001 0.000 0.191 69 E C 2.114 178.694 176.600 -0.034 0.000 0.978 69 E CA 0.229 56.610 56.400 -0.031 0.000 0.839 69 E CB 0.233 29.911 29.700 -0.037 0.000 0.787 69 E HN 0.312 nan 8.360 nan 0.000 0.473 70 I N 1.817 122.357 120.570 -0.049 0.000 2.202 70 I HA -0.210 3.960 4.170 -0.001 0.000 0.242 70 I C 2.478 178.581 176.117 -0.024 0.000 1.091 70 I CA 1.388 62.659 61.300 -0.048 0.000 1.368 70 I CB -1.528 36.429 38.000 -0.073 0.000 1.058 70 I HN 0.027 nan 8.210 nan 0.000 0.410 71 S N 0.873 116.565 115.700 -0.014 0.000 2.442 71 S HA -0.151 4.319 4.470 -0.001 0.000 0.236 71 S C 1.805 176.407 174.600 0.003 0.000 1.007 71 S CA 0.771 58.972 58.200 0.001 0.000 0.965 71 S CB -0.444 62.761 63.200 0.009 0.000 0.773 71 S HN 0.452 nan 8.310 nan 0.000 0.504 72 K N 0.241 120.640 120.400 -0.002 0.000 2.288 72 K HA 0.206 4.525 4.320 -0.001 0.000 0.201 72 K C 1.996 178.598 176.600 0.002 0.000 1.048 72 K CA 1.083 57.370 56.287 0.000 0.000 0.956 72 K CB -0.165 32.333 32.500 -0.003 0.000 0.746 72 K HN 0.457 nan 8.250 nan 0.000 0.461 73 M N -0.523 119.078 119.600 0.001 0.000 2.556 73 M HA 0.030 4.510 4.480 -0.001 0.000 0.264 73 M C 0.124 176.434 176.300 0.016 0.000 1.163 73 M CA 0.479 55.782 55.300 0.005 0.000 1.186 73 M CB 0.489 33.089 32.600 -0.000 0.000 1.321 73 M HN -0.067 nan 8.290 nan 0.000 0.485 74 N N 0.069 118.780 118.700 0.018 0.000 2.503 74 N HA 0.146 4.886 4.740 -0.001 0.000 0.287 74 N C -0.697 174.835 175.510 0.037 0.000 1.096 74 N CA -0.015 53.060 53.050 0.040 0.000 0.936 74 N CB 1.366 39.889 38.487 0.060 0.000 1.570 74 N HN -0.069 nan 8.380 nan 0.000 0.504 75 E N 1.669 121.899 120.200 0.050 0.000 2.122 75 E HA 0.100 4.450 4.350 -0.001 0.000 0.190 75 E C 0.637 177.273 176.600 0.060 0.000 0.977 75 E CA 1.044 57.469 56.400 0.042 0.000 0.820 75 E CB 0.029 29.752 29.700 0.039 0.000 0.770 75 E HN 0.632 nan 8.360 nan 0.000 0.462 76 N N 0.422 119.195 118.700 0.122 0.000 2.459 76 N HA -0.012 4.728 4.740 -0.001 0.000 0.181 76 N C -0.162 175.459 175.510 0.186 0.000 1.046 76 N CA -0.058 53.119 53.050 0.211 0.000 0.904 76 N CB 0.057 38.723 38.487 0.299 0.000 0.964 76 N HN 0.040 nan 8.380 nan 0.000 0.444 77 L N 2.545 123.791 121.223 0.038 0.000 2.660 77 L HA 0.078 4.418 4.340 -0.001 0.000 0.272 77 L C -2.328 174.366 176.870 -0.293 0.000 1.194 77 L CA -1.458 53.224 54.840 -0.264 0.000 0.945 77 L CB 0.054 42.026 42.059 -0.145 0.000 1.212 77 L HN -0.003 nan 8.230 nan 0.000 0.490 78 P HA 0.175 nan 4.420 nan 0.000 0.276 78 P C -1.084 175.884 177.300 -0.553 0.000 1.253 78 P CA 0.094 62.908 63.100 -0.477 0.000 0.766 78 P CB 0.425 31.846 31.700 -0.464 0.000 0.845 79 L N 4.695 125.618 121.223 -0.500 0.000 2.295 79 L HA 0.433 4.773 4.340 -0.001 0.000 0.285 79 L C -0.316 176.237 176.870 -0.530 0.000 1.035 79 L CA -0.799 53.871 54.840 -0.283 0.000 0.806 79 L CB 0.765 42.855 42.059 0.052 0.000 1.214 79 L HN 0.360 nan 8.230 nan 0.000 0.426 80 Y N 1.914 122.193 120.300 -0.034 0.000 2.388 80 Y HA 0.584 5.134 4.550 -0.001 0.000 0.328 80 Y C 0.316 176.008 175.900 -0.347 0.000 0.963 80 Y CA -0.741 57.280 58.100 -0.131 0.000 1.240 80 Y CB 1.531 39.997 38.460 0.009 0.000 1.118 80 Y HN 0.589 nan 8.280 nan 0.000 0.484 81 A N 3.885 126.410 122.820 -0.492 0.000 2.276 81 A HA 0.696 5.016 4.320 -0.001 0.000 0.316 81 A C -1.260 176.150 177.584 -0.290 0.000 1.229 81 A CA -0.491 51.179 52.037 -0.613 0.000 0.851 81 A CB 0.076 18.751 19.000 -0.542 0.000 1.165 81 A HN 0.609 nan 8.150 nan 0.000 0.513 82 F N 2.148 121.982 119.950 -0.193 0.000 2.371 82 F HA 0.542 5.069 4.527 -0.001 0.000 0.363 82 F C 0.802 176.608 175.800 0.009 0.000 1.122 82 F CA 0.166 58.026 58.000 -0.234 0.000 1.129 82 F CB 1.524 40.119 39.000 -0.675 0.000 1.173 82 F HN 0.685 nan 8.300 nan 0.000 0.489 83 A N 4.156 127.078 122.820 0.169 0.000 2.337 83 A HA 0.670 4.989 4.320 -0.001 0.000 0.331 83 A C -0.448 177.300 177.584 0.272 0.000 1.137 83 A CA -0.772 51.432 52.037 0.278 0.000 0.807 83 A CB 0.939 20.010 19.000 0.119 0.000 1.250 83 A HN 0.808 nan 8.150 nan 0.000 0.468 84 N N -0.703 118.188 118.700 0.319 0.000 2.620 84 N HA 0.372 5.112 4.740 -0.001 0.000 0.307 84 N C 0.966 176.565 175.510 0.148 0.000 1.316 84 N CA -0.117 53.106 53.050 0.290 0.000 0.931 84 N CB 0.326 39.017 38.487 0.340 0.000 1.116 84 N HN 0.570 nan 8.380 nan 0.000 0.573 85 T N -0.574 114.031 114.554 0.085 0.000 2.737 85 T HA -0.119 4.231 4.350 -0.001 0.000 0.265 85 T C 0.249 174.817 174.700 -0.219 0.000 1.038 85 T CA 1.480 63.501 62.100 -0.131 0.000 1.144 85 T CB -0.349 68.353 68.868 -0.276 0.000 0.866 85 T HN 0.353 nan 8.240 nan 0.000 0.434 86 Y N 2.209 122.569 120.300 0.099 0.000 2.817 86 Y HA 0.446 4.995 4.550 -0.001 0.000 0.339 86 Y C 0.095 176.072 175.900 0.129 0.000 1.281 86 Y CA -0.713 57.441 58.100 0.089 0.000 1.564 86 Y CB 0.110 38.616 38.460 0.077 0.000 1.628 86 Y HN -0.013 nan 8.280 nan 0.000 0.489 87 S N 0.905 116.736 115.700 0.218 0.000 2.519 87 S HA 0.490 4.960 4.470 -0.001 0.000 0.309 87 S C -0.179 174.551 174.600 0.216 0.000 1.100 87 S CA -0.734 57.640 58.200 0.290 0.000 1.059 87 S CB 1.815 65.197 63.200 0.303 0.000 1.008 87 S HN 0.455 nan 8.310 nan 0.000 0.478 88 T N 2.851 117.595 114.554 0.317 0.000 2.907 88 T HA 0.624 4.974 4.350 -0.001 0.000 0.292 88 T C -0.993 173.919 174.700 0.353 0.000 1.043 88 T CA -0.661 61.577 62.100 0.229 0.000 1.003 88 T CB 0.559 69.523 68.868 0.159 0.000 1.084 88 T HN 0.467 nan 8.240 nan 0.000 0.483 89 L N 3.662 125.029 121.223 0.239 0.000 2.281 89 L HA 0.391 4.731 4.340 -0.001 0.000 0.285 89 L C 0.221 177.218 176.870 0.212 0.000 1.074 89 L CA -0.635 54.386 54.840 0.302 0.000 0.817 89 L CB 1.089 43.257 42.059 0.181 0.000 1.168 89 L HN 0.703 nan 8.230 nan 0.000 0.434 90 D N 1.665 122.198 120.400 0.222 0.000 2.339 90 D HA 0.012 4.652 4.640 -0.001 0.000 0.245 90 D C 0.679 177.044 176.300 0.108 0.000 1.115 90 D CA -0.056 54.021 54.000 0.128 0.000 0.917 90 D CB 1.848 42.702 40.800 0.090 0.000 1.192 90 D HN 0.198 nan 8.370 nan 0.000 0.428 91 V N 2.107 122.064 119.914 0.073 0.000 2.809 91 V HA -0.132 3.988 4.120 -0.001 0.000 0.256 91 V C 1.800 177.926 176.094 0.054 0.000 1.080 91 V CA 2.216 64.551 62.300 0.058 0.000 1.102 91 V CB -0.436 31.412 31.823 0.042 0.000 0.705 91 V HN 0.688 nan 8.190 nan 0.000 0.475 92 S N -0.575 115.156 115.700 0.051 0.000 2.555 92 S HA 0.052 4.521 4.470 -0.001 0.000 0.230 92 S C 1.557 176.191 174.600 0.056 0.000 0.978 92 S CA 0.920 59.145 58.200 0.042 0.000 0.934 92 S CB -0.356 62.861 63.200 0.028 0.000 0.766 92 S HN 0.584 nan 8.310 nan 0.000 0.533 93 L N 0.756 122.029 121.223 0.085 0.000 2.567 93 L HA 0.241 4.581 4.340 -0.001 0.000 0.225 93 L C 1.553 178.482 176.870 0.098 0.000 1.119 93 L CA -0.019 54.888 54.840 0.113 0.000 0.871 93 L CB -0.505 41.671 42.059 0.194 0.000 1.036 93 L HN 0.183 nan 8.230 nan 0.000 0.459 94 N N 0.542 119.287 118.700 0.076 0.000 2.270 94 N HA -0.131 4.609 4.740 -0.001 0.000 0.181 94 N C 0.914 176.451 175.510 0.045 0.000 1.016 94 N CA 1.090 54.175 53.050 0.059 0.000 0.870 94 N CB -0.120 38.396 38.487 0.048 0.000 0.979 94 N HN 0.256 nan 8.380 nan 0.000 0.431 95 D N -0.288 120.136 120.400 0.040 0.000 2.340 95 D HA 0.133 4.772 4.640 -0.001 0.000 0.220 95 D C -0.263 176.055 176.300 0.030 0.000 1.039 95 D CA 0.183 54.201 54.000 0.030 0.000 0.866 95 D CB 0.194 41.008 40.800 0.024 0.000 0.913 95 D HN 0.197 nan 8.370 nan 0.000 0.523 96 L N 0.647 121.894 121.223 0.040 0.000 2.317 96 L HA 0.436 4.776 4.340 -0.001 0.000 0.281 96 L C 0.443 177.336 176.870 0.038 0.000 1.024 96 L CA -0.847 54.016 54.840 0.038 0.000 0.810 96 L CB 1.734 43.821 42.059 0.048 0.000 1.240 96 L HN -0.305 nan 8.230 nan 0.000 0.427 97 R N 4.586 125.103 120.500 0.029 0.000 2.220 97 R HA 0.552 4.892 4.340 -0.001 0.000 0.340 97 R C -1.259 175.055 176.300 0.023 0.000 1.076 97 R CA -0.227 55.888 56.100 0.025 0.000 0.920 97 R CB 0.265 30.578 30.300 0.023 0.000 1.062 97 R HN 0.475 nan 8.270 nan 0.000 0.469 98 L N 2.603 123.838 121.223 0.021 0.000 2.470 98 L HA 0.242 4.581 4.340 -0.001 0.000 0.268 98 L C -0.512 176.342 176.870 -0.027 0.000 0.964 98 L CA -0.898 53.946 54.840 0.008 0.000 0.839 98 L CB 2.370 44.454 42.059 0.042 0.000 1.276 98 L HN 0.346 nan 8.230 nan 0.000 0.403 99 Q N 3.858 123.620 119.800 -0.062 0.000 2.490 99 Q HA 0.492 4.832 4.340 -0.001 0.000 0.226 99 Q C -1.198 174.672 176.000 -0.216 0.000 1.132 99 Q CA 0.273 56.007 55.803 -0.115 0.000 0.928 99 Q CB 0.254 28.932 28.738 -0.100 0.000 1.299 99 Q HN 0.494 nan 8.270 nan 0.000 0.528 100 I N 2.225 122.644 120.570 -0.252 0.000 2.362 100 I HA 0.353 4.522 4.170 -0.001 0.000 0.289 100 I C -0.356 175.380 176.117 -0.634 0.000 0.994 100 I CA -0.626 60.404 61.300 -0.450 0.000 1.158 100 I CB 1.865 39.584 38.000 -0.469 0.000 1.315 100 I HN 0.384 nan 8.210 nan 0.000 0.451 101 S N 5.841 121.138 115.700 -0.672 0.000 2.475 101 S HA 0.615 5.085 4.470 -0.001 0.000 0.298 101 S C -0.584 173.465 174.600 -0.918 0.000 1.119 101 S CA -0.507 57.305 58.200 -0.647 0.000 1.085 101 S CB 0.916 63.914 63.200 -0.338 0.000 1.028 101 S HN 0.248 nan 8.310 nan 0.000 0.489 102 F N 2.220 121.721 119.950 -0.747 0.000 2.421 102 F HA 0.654 5.180 4.527 -0.001 0.000 0.337 102 F C -0.161 174.982 175.800 -1.096 0.000 1.105 102 F CA -0.617 56.928 58.000 -0.757 0.000 1.049 102 F CB 0.870 39.525 39.000 -0.576 0.000 1.139 102 F HN 0.452 nan 8.300 nan 0.000 0.479 103 F N 0.246 119.913 119.950 -0.471 0.000 2.613 103 F HA 0.424 4.951 4.527 -0.001 0.000 0.314 103 F C -0.276 175.217 175.800 -0.511 0.000 1.075 103 F CA -1.049 56.577 58.000 -0.622 0.000 0.945 103 F CB 1.804 40.145 39.000 -1.099 0.000 1.310 103 F HN 0.344 nan 8.300 nan 0.000 0.467 104 E N 0.348 120.527 120.200 -0.036 0.000 2.214 104 E HA 0.259 4.608 4.350 -0.001 0.000 0.274 104 E C -1.583 175.126 176.600 0.181 0.000 0.977 104 E CA -0.863 55.573 56.400 0.060 0.000 0.827 104 E CB 1.346 31.102 29.700 0.093 0.000 1.130 104 E HN 0.469 nan 8.360 nan 0.000 0.394 105 Y N 1.268 121.756 120.300 0.313 0.000 2.584 105 Y HA 0.311 4.860 4.550 -0.001 0.000 0.351 105 Y C 0.279 176.279 175.900 0.166 0.000 1.030 105 Y CA -0.302 57.921 58.100 0.204 0.000 1.332 105 Y CB 0.554 39.037 38.460 0.039 0.000 1.148 105 Y HN 0.367 nan 8.280 nan 0.000 0.528 106 A N 4.137 127.113 122.820 0.260 0.000 2.520 106 A HA 0.659 4.979 4.320 -0.001 0.000 0.298 106 A C -1.235 176.424 177.584 0.126 0.000 1.051 106 A CA -0.886 51.260 52.037 0.182 0.000 0.690 106 A CB 1.017 20.105 19.000 0.147 0.000 1.281 106 A HN 0.685 nan 8.150 nan 0.000 0.402 107 L N 1.965 123.253 121.223 0.109 0.000 2.380 107 L HA 0.486 4.826 4.340 -0.001 0.000 0.273 107 L C 1.588 178.495 176.870 0.062 0.000 1.138 107 L CA 1.272 56.158 54.840 0.077 0.000 0.832 107 L CB 0.767 42.879 42.059 0.088 0.000 1.124 107 L HN 1.447 nan 8.230 nan 0.000 0.454 108 G N 2.291 111.117 108.800 0.044 0.000 2.396 108 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.242 108 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.242 108 G C 1.017 175.933 174.900 0.026 0.000 1.069 108 G CA 0.541 45.661 45.100 0.034 0.000 0.633 108 G HN 0.830 nan 8.290 nan 0.000 0.517 109 A N 0.802 123.645 122.820 0.037 0.000 2.239 109 A HA 0.591 4.911 4.320 -0.001 0.000 0.209 109 A C 2.612 180.199 177.584 0.005 0.000 1.171 109 A CA 1.874 53.930 52.037 0.031 0.000 0.768 109 A CB -0.589 18.444 19.000 0.055 0.000 0.790 109 A HN 1.837 nan 8.150 nan 0.000 0.478 110 A N -0.040 122.778 122.820 -0.003 0.000 1.972 110 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 110 A C 1.930 179.471 177.584 -0.071 0.000 1.169 110 A CA 1.629 53.640 52.037 -0.042 0.000 0.635 110 A CB -0.383 18.597 19.000 -0.032 0.000 0.810 110 A HN 0.645 nan 8.150 nan 0.000 0.446 111 E N -0.557 119.618 120.200 -0.041 0.000 2.150 111 E HA -0.234 4.115 4.350 -0.001 0.000 0.193 111 E C 1.483 178.055 176.600 -0.047 0.000 0.985 111 E CA 1.259 57.635 56.400 -0.040 0.000 0.814 111 E CB -0.093 29.596 29.700 -0.018 0.000 0.752 111 E HN 0.611 nan 8.360 nan 0.000 0.466 112 D N -0.313 120.064 120.400 -0.038 0.000 2.183 112 D HA -0.066 4.574 4.640 -0.001 0.000 0.203 112 D C 1.783 178.044 176.300 -0.066 0.000 0.969 112 D CA 0.758 54.741 54.000 -0.028 0.000 0.842 112 D CB 0.103 40.905 40.800 0.003 0.000 0.957 112 D HN 0.208 nan 8.370 nan 0.000 0.484 113 I N 0.277 120.759 120.570 -0.147 0.000 2.315 113 I HA -0.161 4.009 4.170 -0.001 0.000 0.248 113 I C 2.426 178.320 176.117 -0.373 0.000 1.117 113 I CA 0.838 61.918 61.300 -0.367 0.000 1.404 113 I CB -0.268 37.388 38.000 -0.572 0.000 1.071 113 I HN -0.003 nan 8.210 nan 0.000 0.419 114 A N 1.258 123.924 122.820 -0.256 0.000 1.908 114 A HA -0.257 4.063 4.320 -0.001 0.000 0.218 114 A C 2.019 179.511 177.584 -0.153 0.000 1.181 114 A CA 2.405 54.304 52.037 -0.230 0.000 0.627 114 A CB -1.019 17.896 19.000 -0.141 0.000 0.818 114 A HN 0.495 nan 8.150 nan 0.000 0.445 115 N N -0.629 118.021 118.700 -0.085 0.000 2.270 115 N HA -0.078 4.661 4.740 -0.001 0.000 0.181 115 N C 1.703 177.206 175.510 -0.013 0.000 1.016 115 N CA 1.203 54.239 53.050 -0.024 0.000 0.870 115 N CB -0.091 38.393 38.487 -0.005 0.000 0.979 115 N HN 0.473 nan 8.380 nan 0.000 0.431 116 K N 0.489 120.870 120.400 -0.030 0.000 2.155 116 K HA 0.005 4.324 4.320 -0.001 0.000 0.203 116 K C 1.713 178.341 176.600 0.046 0.000 1.052 116 K CA 0.775 57.092 56.287 0.050 0.000 0.948 116 K CB -0.012 32.584 32.500 0.159 0.000 0.728 116 K HN 0.224 nan 8.250 nan 0.000 0.448 117 I N 1.068 121.550 120.570 -0.146 0.000 2.252 117 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 117 I C 2.384 178.455 176.117 -0.076 0.000 1.102 117 I CA 0.970 62.116 61.300 -0.257 0.000 1.385 117 I CB -0.126 37.440 38.000 -0.723 0.000 1.064 117 I HN 0.014 nan 8.210 nan 0.000 0.414 118 K N 1.190 121.566 120.400 -0.040 0.000 2.063 118 K HA -0.262 4.058 4.320 -0.001 0.000 0.208 118 K C 2.149 178.830 176.600 0.135 0.000 1.048 118 K CA 1.711 58.076 56.287 0.131 0.000 0.928 118 K CB -0.282 32.311 32.500 0.156 0.000 0.713 118 K HN 0.282 nan 8.250 nan 0.000 0.442 119 Q N -0.790 119.069 119.800 0.098 0.000 2.079 119 Q HA -0.109 4.230 4.340 -0.001 0.000 0.200 119 Q C 1.496 177.571 176.000 0.124 0.000 0.974 119 Q CA 1.977 57.840 55.803 0.099 0.000 0.840 119 Q CB 0.002 28.787 28.738 0.079 0.000 0.898 119 Q HN 0.414 nan 8.270 nan 0.000 0.430 120 T N -0.016 114.629 114.554 0.152 0.000 2.821 120 T HA -0.097 4.252 4.350 -0.001 0.000 0.267 120 T C 1.753 176.578 174.700 0.208 0.000 1.046 120 T CA 1.609 63.816 62.100 0.179 0.000 1.139 120 T CB -0.362 68.662 68.868 0.260 0.000 0.871 120 T HN 0.365 nan 8.240 nan 0.000 0.454 121 T N 2.029 116.719 114.554 0.226 0.000 2.777 121 T HA -0.096 4.253 4.350 -0.001 0.000 0.266 121 T C 1.658 176.524 174.700 0.277 0.000 1.040 121 T CA 1.058 63.325 62.100 0.277 0.000 1.141 121 T CB -0.361 68.678 68.868 0.286 0.000 0.868 121 T HN 0.305 nan 8.240 nan 0.000 0.444 122 D N 1.035 121.554 120.400 0.198 0.000 2.219 122 D HA -0.039 4.600 4.640 -0.001 0.000 0.205 122 D C 2.131 178.501 176.300 0.117 0.000 0.970 122 D CA 0.805 54.890 54.000 0.141 0.000 0.851 122 D CB -0.097 40.767 40.800 0.107 0.000 0.943 122 D HN 0.523 nan 8.370 nan 0.000 0.488 123 E N -0.598 119.680 120.200 0.130 0.000 2.158 123 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 123 E C 1.809 178.484 176.600 0.124 0.000 0.982 123 E CA 0.216 56.679 56.400 0.104 0.000 0.823 123 E CB -0.043 29.714 29.700 0.095 0.000 0.766 123 E HN 0.404 nan 8.360 nan 0.000 0.468 124 Y N 1.133 121.463 120.300 0.050 0.000 2.242 124 Y HA -0.168 4.382 4.550 -0.001 0.000 0.291 124 Y C 1.923 177.852 175.900 0.047 0.000 1.137 124 Y CA 1.250 59.375 58.100 0.042 0.000 1.181 124 Y CB -0.006 38.483 38.460 0.049 0.000 0.989 124 Y HN -0.079 nan 8.280 nan 0.000 0.527 125 I N 0.847 121.367 120.570 -0.083 0.000 2.286 125 I HA -0.340 3.829 4.170 -0.001 0.000 0.248 125 I C 1.575 177.621 176.117 -0.118 0.000 1.115 125 I CA 1.356 62.567 61.300 -0.148 0.000 1.392 125 I CB -0.454 37.555 38.000 0.016 0.000 1.065 125 I HN 0.325 nan 8.210 nan 0.000 0.418 126 N N 0.032 118.701 118.700 -0.051 0.000 2.457 126 N HA -0.072 4.667 4.740 -0.001 0.000 0.180 126 N C 1.736 177.207 175.510 -0.064 0.000 1.050 126 N CA 1.202 54.228 53.050 -0.039 0.000 0.906 126 N CB -0.310 38.177 38.487 -0.001 0.000 0.968 126 N HN 0.352 nan 8.380 nan 0.000 0.445 127 T N 1.576 116.080 114.554 -0.085 0.000 2.851 127 T HA 0.030 4.380 4.350 -0.001 0.000 0.262 127 T C 2.094 176.738 174.700 -0.094 0.000 1.043 127 T CA 0.735 62.796 62.100 -0.065 0.000 1.140 127 T CB -0.022 68.834 68.868 -0.020 0.000 0.872 127 T HN 0.369 nan 8.240 nan 0.000 0.446 128 I N -0.944 119.518 120.570 -0.180 0.000 2.703 128 I HA 0.269 4.439 4.170 -0.001 0.000 0.259 128 I C 0.561 176.609 176.117 -0.115 0.000 1.151 128 I CA 0.208 61.421 61.300 -0.145 0.000 1.470 128 I CB -0.477 37.387 38.000 -0.226 0.000 1.112 128 I HN 0.027 nan 8.210 nan 0.000 0.437 129 L N 4.268 125.413 121.223 -0.130 0.000 2.410 129 L HA 0.273 4.613 4.340 -0.001 0.000 0.273 129 L C -1.981 174.760 176.870 -0.214 0.000 1.144 129 L CA -1.655 53.111 54.840 -0.124 0.000 0.863 129 L CB 0.174 42.194 42.059 -0.066 0.000 1.140 129 L HN 0.023 nan 8.230 nan 0.000 0.463 130 P HA 0.175 nan 4.420 nan 0.000 0.274 130 P C -2.323 174.763 177.300 -0.356 0.000 1.231 130 P CA -1.609 61.162 63.100 -0.547 0.000 0.790 130 P CB 0.443 31.742 31.700 -0.668 0.000 0.951 131 P HA -0.209 nan 4.420 nan 0.000 0.218 131 P C 1.802 178.992 177.300 -0.182 0.000 1.165 131 P CA 1.393 64.375 63.100 -0.197 0.000 0.922 131 P CB -0.200 31.410 31.700 -0.151 0.000 0.794 132 L N -1.519 119.587 121.223 -0.196 0.000 2.056 132 L HA -0.141 4.199 4.340 -0.001 0.000 0.207 132 L C 2.027 178.749 176.870 -0.248 0.000 1.078 132 L CA 2.044 56.759 54.840 -0.209 0.000 0.749 132 L CB -1.100 40.824 42.059 -0.225 0.000 0.901 132 L HN 0.010 nan 8.230 nan 0.000 0.433 133 T N -0.740 113.632 114.554 -0.304 0.000 2.788 133 T HA -0.226 4.123 4.350 -0.001 0.000 0.268 133 T C 1.863 176.178 174.700 -0.640 0.000 1.044 133 T CA 1.501 63.286 62.100 -0.525 0.000 1.139 133 T CB -0.163 68.423 68.868 -0.470 0.000 0.867 133 T HN 0.287 nan 8.240 nan 0.000 0.454 134 K N 0.969 121.171 120.400 -0.330 0.000 2.057 134 K HA 0.028 4.348 4.320 -0.001 0.000 0.206 134 K C 2.535 179.086 176.600 -0.081 0.000 1.050 134 K CA 1.113 57.308 56.287 -0.155 0.000 0.935 134 K CB -0.255 32.183 32.500 -0.102 0.000 0.715 134 K HN 0.308 nan 8.250 nan 0.000 0.439 135 A N 1.049 123.805 122.820 -0.108 0.000 1.929 135 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 135 A C 1.969 179.546 177.584 -0.012 0.000 1.176 135 A CA 0.906 52.916 52.037 -0.046 0.000 0.628 135 A CB -0.394 18.564 19.000 -0.069 0.000 0.816 135 A HN 0.339 nan 8.150 nan 0.000 0.444 136 L N -1.471 119.698 121.223 -0.090 0.000 2.056 136 L HA -0.021 4.319 4.340 -0.001 0.000 0.207 136 L C 2.035 179.017 176.870 0.188 0.000 1.078 136 L CA 1.834 56.662 54.840 -0.019 0.000 0.749 136 L CB -0.639 41.348 42.059 -0.119 0.000 0.901 136 L HN 0.319 nan 8.230 nan 0.000 0.433 137 F N 0.302 120.280 119.950 0.047 0.000 2.234 137 F HA -0.118 4.409 4.527 -0.001 0.000 0.299 137 F C 2.540 178.362 175.800 0.037 0.000 1.087 137 F CA 1.165 59.188 58.000 0.037 0.000 1.340 137 F CB -1.056 37.954 39.000 0.017 0.000 1.031 137 F HN 0.178 nan 8.300 nan 0.000 0.500 138 K N -0.761 119.776 120.400 0.229 0.000 2.097 138 K HA -0.238 4.082 4.320 -0.001 0.000 0.205 138 K C 2.218 178.903 176.600 0.142 0.000 1.050 138 K CA 1.152 57.525 56.287 0.144 0.000 0.938 138 K CB -0.454 32.111 32.500 0.107 0.000 0.718 138 K HN 0.247 nan 8.250 nan 0.000 0.442 139 Y N 0.845 121.177 120.300 0.054 0.000 2.242 139 Y HA -0.183 4.367 4.550 -0.001 0.000 0.291 139 Y C 1.705 177.631 175.900 0.043 0.000 1.137 139 Y CA 1.175 59.299 58.100 0.041 0.000 1.181 139 Y CB -0.161 38.312 38.460 0.022 0.000 0.989 139 Y HN -0.179 nan 8.280 nan 0.000 0.527 140 V N 0.822 120.741 119.914 0.008 0.000 2.407 140 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 140 V C 2.375 178.405 176.094 -0.107 0.000 1.055 140 V CA 2.228 64.484 62.300 -0.074 0.000 1.049 140 V CB -0.558 31.305 31.823 0.067 0.000 0.662 140 V HN 0.336 nan 8.190 nan 0.000 0.455 141 R N -0.605 119.863 120.500 -0.053 0.000 2.119 141 R HA -0.043 4.296 4.340 -0.001 0.000 0.222 141 R C 2.040 178.292 176.300 -0.079 0.000 1.088 141 R CA 1.340 57.407 56.100 -0.055 0.000 0.984 141 R CB 0.053 30.340 30.300 -0.021 0.000 0.884 141 R HN 0.606 nan 8.270 nan 0.000 0.447 142 E N -1.061 119.080 120.200 -0.099 0.000 2.406 142 E HA 0.108 4.458 4.350 -0.001 0.000 0.204 142 E C 0.480 176.979 176.600 -0.170 0.000 0.820 142 E CA -0.103 56.237 56.400 -0.100 0.000 1.136 142 E CB 0.421 30.093 29.700 -0.046 0.000 1.129 142 E HN 0.165 nan 8.360 nan 0.000 0.530 143 G N 2.057 110.708 108.800 -0.248 0.000 2.272 143 G HA2 0.041 4.001 3.960 -0.001 0.000 0.247 143 G HA3 0.041 4.001 3.960 -0.001 0.000 0.247 143 G C -0.398 174.241 174.900 -0.435 0.000 1.272 143 G CA 0.195 45.096 45.100 -0.331 0.000 0.921 143 G HN -0.055 nan 8.290 nan 0.000 0.495 144 K N 2.397 122.599 120.400 -0.330 0.000 2.579 144 K HA 0.215 4.535 4.320 -0.001 0.000 0.225 144 K C -1.550 174.912 176.600 -0.230 0.000 0.992 144 K CA -0.445 55.704 56.287 -0.229 0.000 1.018 144 K CB 1.396 33.797 32.500 -0.165 0.000 1.249 144 K HN 0.511 nan 8.250 nan 0.000 0.489 145 Y N 1.334 121.689 120.300 0.092 0.000 2.345 145 Y HA 0.154 4.704 4.550 -0.001 0.000 0.331 145 Y C 0.709 176.671 175.900 0.103 0.000 0.959 145 Y CA -0.804 57.376 58.100 0.133 0.000 1.204 145 Y CB 1.484 40.063 38.460 0.198 0.000 1.135 145 Y HN 0.436 nan 8.280 nan 0.000 0.477 146 T N -1.621 113.095 114.554 0.271 0.000 2.927 146 T HA 0.507 4.856 4.350 -0.001 0.000 0.281 146 T C -0.190 174.708 174.700 0.330 0.000 0.998 146 T CA -0.576 61.647 62.100 0.204 0.000 1.019 146 T CB 0.697 69.680 68.868 0.192 0.000 1.061 146 T HN 0.464 nan 8.240 nan 0.000 0.518 147 F N -1.312 118.664 119.950 0.044 0.000 3.071 147 F HA -0.178 4.349 4.527 -0.001 0.000 0.295 147 F C 0.564 176.372 175.800 0.014 0.000 0.919 147 F CA -0.346 57.668 58.000 0.023 0.000 1.050 147 F CB -2.373 36.641 39.000 0.024 0.000 1.040 147 F HN 0.740 nan 8.300 nan 0.000 0.692 148 C N -0.388 118.964 119.300 0.087 0.000 2.505 148 C HA 0.790 5.250 4.460 -0.001 0.000 0.358 148 C C 0.946 175.929 174.990 -0.012 0.000 1.226 148 C CA -0.483 58.559 59.018 0.040 0.000 1.900 148 C CB 1.851 29.611 27.740 0.033 0.000 2.306 148 C HN 0.503 nan 8.230 nan 0.000 0.512 149 T N 1.881 116.424 114.554 -0.018 0.000 2.829 149 T HA 0.521 4.871 4.350 -0.001 0.000 0.282 149 T C -2.678 172.001 174.700 -0.036 0.000 0.990 149 T CA -1.281 60.803 62.100 -0.026 0.000 1.028 149 T CB 0.928 69.794 68.868 -0.004 0.000 0.951 149 T HN 0.447 nan 8.240 nan 0.000 0.460 150 P HA 0.231 nan 4.420 nan 0.000 0.270 150 P C 1.008 178.228 177.300 -0.133 0.000 1.223 150 P CA -0.214 62.863 63.100 -0.037 0.000 0.785 150 P CB 0.246 32.001 31.700 0.091 0.000 0.923 151 G N 0.381 109.153 108.800 -0.046 0.000 2.509 151 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.218 151 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.218 151 G C 1.104 175.968 174.900 -0.059 0.000 1.124 151 G CA 0.880 45.944 45.100 -0.060 0.000 0.776 151 G HN 0.749 nan 8.290 nan 0.000 0.547 152 H N -1.792 117.296 119.070 0.030 0.000 2.395 152 H HA 0.224 4.780 4.556 -0.001 0.000 0.299 152 H C 1.511 176.897 175.328 0.097 0.000 1.070 152 H CA 0.710 56.807 56.048 0.082 0.000 1.356 152 H CB -0.372 29.558 29.762 0.279 0.000 1.401 152 H HN 0.190 nan 8.280 nan 0.000 0.524 153 M N 0.545 119.911 119.600 -0.390 0.000 2.298 153 M HA -0.187 4.293 4.480 -0.001 0.000 0.196 153 M C 0.843 177.185 176.300 0.069 0.000 0.531 153 M CA 0.953 56.159 55.300 -0.156 0.000 0.459 153 M CB -1.458 31.088 32.600 -0.089 0.000 1.279 153 M HN 0.980 nan 8.290 nan 0.000 0.915 154 G N -1.139 107.818 108.800 0.262 0.000 2.149 154 G HA2 0.131 4.091 3.960 -0.001 0.000 0.235 154 G HA3 0.131 4.091 3.960 -0.001 0.000 0.235 154 G C 0.762 175.925 174.900 0.439 0.000 1.018 154 G CA 0.454 45.767 45.100 0.355 0.000 0.728 154 G HN 2.091 nan 8.290 nan 0.000 0.508 155 G N -2.007 107.157 108.800 0.606 0.000 2.182 155 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.248 155 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.248 155 G C 1.004 175.997 174.900 0.155 0.000 1.042 155 G CA 1.303 46.712 45.100 0.514 0.000 0.775 155 G HN 1.486 nan 8.290 nan 0.000 0.501 156 T N -0.035 114.611 114.554 0.153 0.000 2.851 156 T HA 0.259 4.609 4.350 -0.001 0.000 0.262 156 T C 2.763 177.462 174.700 -0.001 0.000 1.043 156 T CA 1.816 63.922 62.100 0.010 0.000 1.140 156 T CB -0.141 68.718 68.868 -0.015 0.000 0.872 156 T HN 1.143 nan 8.240 nan 0.000 0.446 157 A N 0.801 123.633 122.820 0.019 0.000 1.969 157 A HA 0.088 4.407 4.320 -0.001 0.000 0.218 157 A C 1.908 179.414 177.584 -0.130 0.000 1.169 157 A CA 1.011 52.989 52.037 -0.097 0.000 0.635 157 A CB -0.962 17.930 19.000 -0.180 0.000 0.810 157 A HN 0.464 nan 8.150 nan 0.000 0.445 158 F N -0.009 119.943 119.950 0.004 0.000 2.186 158 F HA -0.145 4.381 4.527 -0.001 0.000 0.299 158 F C 2.552 178.338 175.800 -0.022 0.000 1.090 158 F CA 1.604 59.621 58.000 0.028 0.000 1.307 158 F CB -0.234 38.850 39.000 0.139 0.000 1.019 158 F HN 0.243 nan 8.300 nan 0.000 0.489 159 Q N 0.153 119.982 119.800 0.049 0.000 2.515 159 Q HA -0.090 4.250 4.340 -0.001 0.000 0.212 159 Q C 1.442 177.436 176.000 -0.011 0.000 0.970 159 Q CA 0.487 56.266 55.803 -0.040 0.000 0.941 159 Q CB 0.085 28.713 28.738 -0.183 0.000 0.998 159 Q HN 0.324 nan 8.270 nan 0.000 0.518 160 K N -0.534 119.862 120.400 -0.007 0.000 2.335 160 K HA 0.115 4.435 4.320 -0.001 0.000 0.195 160 K C 0.878 177.475 176.600 -0.004 0.000 1.058 160 K CA 0.165 56.442 56.287 -0.017 0.000 0.988 160 K CB 0.570 33.047 32.500 -0.039 0.000 0.880 160 K HN -0.113 nan 8.250 nan 0.000 0.513 161 S N 1.659 117.364 115.700 0.008 0.000 2.541 161 S HA 0.277 4.747 4.470 -0.001 0.000 0.283 161 S C -1.986 172.648 174.600 0.057 0.000 1.196 161 S CA -1.771 56.439 58.200 0.017 0.000 1.062 161 S CB 1.381 64.575 63.200 -0.009 0.000 1.009 161 S HN -0.197 nan 8.310 nan 0.000 0.502 162 P HA -0.089 nan 4.420 nan 0.000 0.215 162 P C 1.410 178.764 177.300 0.091 0.000 1.153 162 P CA 0.617 63.754 63.100 0.062 0.000 0.853 162 P CB 0.059 31.784 31.700 0.042 0.000 0.788 163 V N -0.515 119.451 119.914 0.086 0.000 2.871 163 V HA 0.023 4.142 4.120 -0.001 0.000 0.256 163 V C 2.058 178.270 176.094 0.196 0.000 1.082 163 V CA 2.171 64.540 62.300 0.114 0.000 1.105 163 V CB -1.255 30.611 31.823 0.072 0.000 0.713 163 V HN 0.126 nan 8.190 nan 0.000 0.473 164 G N -0.114 108.812 108.800 0.210 0.000 2.403 164 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.216 164 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.216 164 G C 1.811 177.003 174.900 0.487 0.000 1.154 164 G CA 1.092 46.439 45.100 0.411 0.000 0.784 164 G HN 0.691 nan 8.290 nan 0.000 0.538 165 S N 0.659 116.541 115.700 0.303 0.000 2.399 165 S HA 0.008 4.477 4.470 -0.001 0.000 0.231 165 S C 2.308 177.085 174.600 0.294 0.000 1.022 165 S CA 0.932 59.297 58.200 0.275 0.000 0.983 165 S CB -0.364 62.937 63.200 0.169 0.000 0.803 165 S HN 0.267 nan 8.310 nan 0.000 0.480 166 L N -0.600 120.779 121.223 0.260 0.000 2.093 166 L HA 0.083 4.423 4.340 -0.001 0.000 0.208 166 L C 2.430 179.464 176.870 0.273 0.000 1.085 166 L CA 1.332 56.307 54.840 0.225 0.000 0.755 166 L CB -0.493 41.671 42.059 0.174 0.000 0.904 166 L HN 0.287 nan 8.230 nan 0.000 0.435 167 F N -1.013 119.049 119.950 0.187 0.000 2.259 167 F HA -0.234 4.293 4.527 -0.001 0.000 0.298 167 F C 2.374 178.268 175.800 0.157 0.000 1.088 167 F CA 1.145 59.248 58.000 0.171 0.000 1.358 167 F CB -0.113 38.968 39.000 0.136 0.000 1.040 167 F HN -0.003 nan 8.300 nan 0.000 0.505 168 Y N 0.569 120.937 120.300 0.114 0.000 2.243 168 Y HA -0.149 4.401 4.550 -0.001 0.000 0.293 168 Y C 2.168 178.096 175.900 0.046 0.000 1.124 168 Y CA 1.729 59.833 58.100 0.006 0.000 1.159 168 Y CB -0.401 38.102 38.460 0.071 0.000 1.008 168 Y HN -0.073 nan 8.280 nan 0.000 0.527 169 D N -0.161 120.328 120.400 0.149 0.000 2.219 169 D HA -0.183 4.457 4.640 -0.001 0.000 0.205 169 D C 1.797 178.071 176.300 -0.043 0.000 0.970 169 D CA 1.023 55.048 54.000 0.041 0.000 0.851 169 D CB -0.407 40.464 40.800 0.118 0.000 0.943 169 D HN 0.385 nan 8.370 nan 0.000 0.488 170 F N 0.348 120.191 119.950 -0.178 0.000 2.053 170 F HA -0.119 4.407 4.527 -0.001 0.000 0.292 170 F C 1.992 177.546 175.800 -0.409 0.000 1.125 170 F CA 1.295 59.104 58.000 -0.318 0.000 1.193 170 F CB -0.416 38.325 39.000 -0.431 0.000 0.996 170 F HN -0.199 nan 8.300 nan 0.000 0.470 171 F N 0.815 120.634 119.950 -0.219 0.000 2.325 171 F HA 0.234 4.761 4.527 -0.001 0.000 0.299 171 F C 1.388 176.992 175.800 -0.327 0.000 1.090 171 F CA 1.018 58.846 58.000 -0.287 0.000 1.392 171 F CB -0.875 37.953 39.000 -0.285 0.000 1.053 171 F HN 0.214 nan 8.300 nan 0.000 0.521 172 G N -0.160 108.485 108.800 -0.258 0.000 2.690 172 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.686 172 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.686 172 G C -2.219 172.429 174.900 -0.421 0.000 1.277 172 G CA -0.725 44.173 45.100 -0.337 0.000 0.799 172 G HN -0.025 nan 8.290 nan 0.000 0.613 173 P HA -0.059 nan 4.420 nan 0.000 0.217 173 P C 1.583 178.843 177.300 -0.067 0.000 1.150 173 P CA 1.585 64.562 63.100 -0.206 0.000 0.832 173 P CB -0.035 31.644 31.700 -0.034 0.000 0.787 174 N N -1.476 117.179 118.700 -0.075 0.000 2.244 174 N HA -0.077 4.663 4.740 -0.001 0.000 0.183 174 N C 1.280 176.800 175.510 0.017 0.000 1.016 174 N CA 1.178 54.209 53.050 -0.031 0.000 0.866 174 N CB -0.208 38.235 38.487 -0.073 0.000 0.980 174 N HN 0.161 nan 8.380 nan 0.000 0.430 175 T N 0.911 115.467 114.554 0.002 0.000 2.857 175 T HA 0.011 4.360 4.350 -0.001 0.000 0.266 175 T C 1.896 176.608 174.700 0.019 0.000 1.048 175 T CA 0.731 62.856 62.100 0.042 0.000 1.139 175 T CB 0.068 68.988 68.868 0.086 0.000 0.874 175 T HN 0.155 nan 8.240 nan 0.000 0.455 176 M N 1.204 120.803 119.600 -0.002 0.000 2.193 176 M HA 0.128 4.608 4.480 -0.001 0.000 0.265 176 M C 1.979 178.408 176.300 0.215 0.000 1.071 176 M CA 1.299 56.638 55.300 0.065 0.000 1.140 176 M CB -0.882 31.791 32.600 0.122 0.000 1.369 176 M HN 0.171 nan 8.290 nan 0.000 0.423 177 K N 0.322 120.824 120.400 0.171 0.000 2.365 177 K HA -0.024 4.295 4.320 -0.001 0.000 0.199 177 K C 1.968 178.679 176.600 0.185 0.000 1.045 177 K CA 1.312 57.702 56.287 0.171 0.000 0.962 177 K CB -0.092 32.460 32.500 0.087 0.000 0.759 177 K HN 0.375 nan 8.250 nan 0.000 0.469 178 S N 0.357 116.148 115.700 0.152 0.000 2.489 178 S HA -0.093 4.377 4.470 -0.001 0.000 0.228 178 S C 0.576 175.215 174.600 0.064 0.000 0.995 178 S CA 0.288 58.566 58.200 0.131 0.000 0.934 178 S CB -0.076 63.201 63.200 0.127 0.000 0.771 178 S HN 0.120 nan 8.310 nan 0.000 0.522 179 D N 1.710 122.176 120.400 0.111 0.000 2.374 179 D HA 0.485 5.125 4.640 -0.001 0.000 0.240 179 D C 0.014 176.418 176.300 0.173 0.000 1.229 179 D CA -0.317 53.759 54.000 0.127 0.000 0.895 179 D CB 0.083 41.021 40.800 0.229 0.000 1.046 179 D HN 0.581 nan 8.370 nan 0.000 0.498 180 I N -0.274 120.336 120.570 0.067 0.000 3.567 180 I HA 0.651 4.820 4.170 -0.001 0.000 0.302 180 I C -0.038 176.141 176.117 0.105 0.000 1.158 180 I CA -1.048 60.234 61.300 -0.030 0.000 1.027 180 I CB 1.432 39.284 38.000 -0.247 0.000 1.363 180 I HN 0.294 nan 8.210 nan 0.000 0.480 181 S N 0.358 116.082 115.700 0.039 0.000 2.998 181 S HA 0.519 4.989 4.470 -0.001 0.000 0.307 181 S C 0.722 175.408 174.600 0.144 0.000 1.063 181 S CA -0.340 57.972 58.200 0.186 0.000 0.895 181 S CB 0.852 64.092 63.200 0.067 0.000 1.362 181 S HN 0.859 nan 8.310 nan 0.000 0.657 182 I N -0.363 120.263 120.570 0.093 0.000 3.646 182 I HA 0.189 4.359 4.170 -0.001 0.000 0.301 182 I C 1.417 177.492 176.117 -0.069 0.000 1.276 182 I CA 0.096 61.417 61.300 0.035 0.000 1.254 182 I CB -0.528 37.471 38.000 -0.002 0.000 1.020 182 I HN 0.385 nan 8.210 nan 0.000 0.473 183 S N 0.958 116.591 115.700 -0.112 0.000 2.399 183 S HA -0.005 4.465 4.470 -0.001 0.000 0.231 183 S C 1.072 175.467 174.600 -0.342 0.000 1.022 183 S CA 0.580 58.669 58.200 -0.185 0.000 0.983 183 S CB -0.341 62.764 63.200 -0.158 0.000 0.803 183 S HN 0.357 nan 8.310 nan 0.000 0.480 184 V N 3.334 123.017 119.914 -0.385 0.000 2.405 184 V HA 0.109 4.229 4.120 -0.001 0.000 0.264 184 V C 1.320 177.251 176.094 -0.272 0.000 1.048 184 V CA 0.008 62.014 62.300 -0.490 0.000 0.966 184 V CB 0.865 32.315 31.823 -0.622 0.000 1.015 184 V HN 0.499 nan 8.190 nan 0.000 0.477 185 S N 3.765 119.331 115.700 -0.224 0.000 2.387 185 S HA -0.144 4.326 4.470 -0.001 0.000 0.226 185 S C 1.549 176.129 174.600 -0.032 0.000 1.026 185 S CA 0.861 59.005 58.200 -0.093 0.000 0.972 185 S CB -0.192 62.972 63.200 -0.060 0.000 0.814 185 S HN 0.864 nan 8.310 nan 0.000 0.477 186 E N 1.255 121.446 120.200 -0.014 0.000 2.347 186 E HA -0.027 4.323 4.350 -0.001 0.000 0.196 186 E C 1.648 178.246 176.600 -0.004 0.000 1.008 186 E CA 0.501 56.911 56.400 0.016 0.000 0.852 186 E CB -0.428 29.308 29.700 0.060 0.000 0.783 186 E HN 0.468 nan 8.360 nan 0.000 0.505 187 L N 0.339 121.537 121.223 -0.042 0.000 2.307 187 L HA 0.203 4.542 4.340 -0.001 0.000 0.211 187 L C 1.387 178.343 176.870 0.143 0.000 1.099 187 L CA 1.270 56.099 54.840 -0.018 0.000 0.816 187 L CB -0.132 41.853 42.059 -0.123 0.000 0.952 187 L HN 0.427 nan 8.230 nan 0.000 0.455 188 G N -0.994 107.888 108.800 0.136 0.000 2.508 188 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.220 188 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.220 188 G C -0.379 174.616 174.900 0.159 0.000 1.287 188 G CA -0.220 44.987 45.100 0.178 0.000 0.916 188 G HN 0.327 nan 8.290 nan 0.000 0.574 189 S N -1.485 114.196 115.700 -0.032 0.000 2.541 189 S HA 0.597 5.066 4.470 -0.001 0.000 0.280 189 S C 0.793 174.952 174.600 -0.735 0.000 1.112 189 S CA 0.432 58.431 58.200 -0.336 0.000 0.925 189 S CB 1.618 64.719 63.200 -0.166 0.000 1.067 189 S HN 1.741 nan 8.310 nan 0.000 0.479 190 L N 4.746 125.413 121.223 -0.928 0.000 2.072 190 L HA 0.250 4.589 4.340 -0.001 0.000 0.205 190 L C 1.562 178.152 176.870 -0.467 0.000 1.079 190 L CA 1.781 56.211 54.840 -0.683 0.000 0.752 190 L CB -0.527 41.276 42.059 -0.426 0.000 0.906 190 L HN 0.804 nan 8.230 nan 0.000 0.436 191 L N -0.481 120.550 121.223 -0.321 0.000 2.217 191 L HA -0.118 4.222 4.340 -0.001 0.000 0.211 191 L C 1.809 178.532 176.870 -0.245 0.000 1.107 191 L CA 1.217 55.940 54.840 -0.195 0.000 0.783 191 L CB -0.737 41.259 42.059 -0.105 0.000 0.919 191 L HN 0.258 nan 8.230 nan 0.000 0.442 192 D N -2.023 118.236 120.400 -0.234 0.000 2.346 192 D HA -0.011 4.629 4.640 -0.001 0.000 0.206 192 D C 0.035 176.351 176.300 0.027 0.000 1.001 192 D CA 0.183 54.146 54.000 -0.062 0.000 0.871 192 D CB 0.044 40.822 40.800 -0.036 0.000 0.943 192 D HN 0.341 nan 8.370 nan 0.000 0.518 193 H N 0.159 119.238 119.070 0.016 0.000 2.750 193 H HA -0.140 4.416 4.556 -0.001 0.000 0.327 193 H C -0.234 175.119 175.328 0.041 0.000 1.199 193 H CA 0.732 56.798 56.048 0.031 0.000 1.149 193 H CB -1.958 27.816 29.762 0.019 0.000 1.543 193 H HN 0.036 nan 8.280 nan 0.000 0.427 194 S N -0.693 115.073 115.700 0.111 0.000 2.526 194 S HA 0.646 5.116 4.470 -0.001 0.000 0.293 194 S C 0.888 175.560 174.600 0.119 0.000 1.092 194 S CA 0.958 59.217 58.200 0.097 0.000 0.980 194 S CB 2.247 65.482 63.200 0.058 0.000 1.048 194 S HN 1.202 nan 8.310 nan 0.000 0.483 195 G N 5.351 114.203 108.800 0.087 0.000 2.527 195 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.268 195 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.268 195 G C -2.006 172.932 174.900 0.063 0.000 1.175 195 G CA 0.104 45.247 45.100 0.071 0.000 0.962 195 G HN 0.610 nan 8.290 nan 0.000 0.560 196 P HA -0.053 nan 4.420 nan 0.000 0.218 196 P C 1.536 178.810 177.300 -0.043 0.000 1.148 196 P CA 1.789 64.868 63.100 -0.034 0.000 0.822 196 P CB -0.234 31.410 31.700 -0.093 0.000 0.784 197 H N -0.672 118.414 119.070 0.027 0.000 2.387 197 H HA -0.089 4.467 4.556 -0.001 0.000 0.299 197 H C 1.992 177.348 175.328 0.046 0.000 1.090 197 H CA 1.458 57.526 56.048 0.034 0.000 1.332 197 H CB -0.081 29.695 29.762 0.024 0.000 1.386 197 H HN 0.189 nan 8.280 nan 0.000 0.516 198 K N 0.950 121.449 120.400 0.165 0.000 2.167 198 K HA -0.087 4.233 4.320 -0.001 0.000 0.203 198 K C 1.923 178.555 176.600 0.054 0.000 1.052 198 K CA 0.683 57.031 56.287 0.102 0.000 0.956 198 K CB 0.267 32.819 32.500 0.086 0.000 0.735 198 K HN 0.309 nan 8.250 nan 0.000 0.451 199 E N 0.028 120.256 120.200 0.045 0.000 2.110 199 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 199 E C 1.886 178.519 176.600 0.055 0.000 0.988 199 E CA 0.981 57.402 56.400 0.034 0.000 0.804 199 E CB -0.037 29.665 29.700 0.004 0.000 0.745 199 E HN 0.370 nan 8.360 nan 0.000 0.458 200 A N 1.511 124.353 122.820 0.036 0.000 1.898 200 A HA -0.225 4.095 4.320 -0.001 0.000 0.216 200 A C 1.911 179.564 177.584 0.115 0.000 1.181 200 A CA 1.384 53.458 52.037 0.061 0.000 0.620 200 A CB -0.359 18.647 19.000 0.011 0.000 0.819 200 A HN 0.154 nan 8.150 nan 0.000 0.442 201 E N -0.467 119.771 120.200 0.064 0.000 2.150 201 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 201 E C 2.198 178.795 176.600 -0.005 0.000 0.985 201 E CA 1.219 57.618 56.400 -0.002 0.000 0.814 201 E CB -0.158 29.483 29.700 -0.097 0.000 0.752 201 E HN 0.726 nan 8.360 nan 0.000 0.466 202 Q N -0.556 119.259 119.800 0.025 0.000 2.245 202 Q HA -0.131 4.209 4.340 -0.001 0.000 0.201 202 Q C 1.650 177.706 176.000 0.093 0.000 0.955 202 Q CA 0.811 56.631 55.803 0.029 0.000 0.870 202 Q CB -0.007 28.746 28.738 0.025 0.000 0.945 202 Q HN 0.370 nan 8.270 nan 0.000 0.461 203 Y N 0.736 121.048 120.300 0.019 0.000 2.220 203 Y HA -0.150 4.400 4.550 -0.001 0.000 0.291 203 Y C 1.833 177.795 175.900 0.104 0.000 1.129 203 Y CA 1.185 59.312 58.100 0.045 0.000 1.161 203 Y CB 0.132 38.612 38.460 0.034 0.000 0.997 203 Y HN -0.015 nan 8.280 nan 0.000 0.522 204 I N 0.050 120.734 120.570 0.189 0.000 2.226 204 I HA -0.307 3.863 4.170 -0.001 0.000 0.245 204 I C 2.637 178.894 176.117 0.233 0.000 1.100 204 I CA 1.191 62.631 61.300 0.234 0.000 1.374 204 I CB -0.669 37.450 38.000 0.198 0.000 1.057 204 I HN 0.311 nan 8.210 nan 0.000 0.413 205 A N 0.551 123.442 122.820 0.118 0.000 1.933 205 A HA -0.230 4.090 4.320 -0.001 0.000 0.218 205 A C 2.456 180.058 177.584 0.029 0.000 1.175 205 A CA 1.558 53.643 52.037 0.080 0.000 0.628 205 A CB -0.598 18.404 19.000 0.003 0.000 0.814 205 A HN 0.327 nan 8.150 nan 0.000 0.444 206 R N -0.541 119.948 120.500 -0.019 0.000 2.075 206 R HA -0.060 4.280 4.340 -0.001 0.000 0.232 206 R C 1.896 178.140 176.300 -0.093 0.000 1.126 206 R CA 1.625 57.684 56.100 -0.069 0.000 0.963 206 R CB -0.230 30.010 30.300 -0.099 0.000 0.858 206 R HN 0.353 nan 8.270 nan 0.000 0.435 207 V N 0.011 119.855 119.914 -0.117 0.000 2.488 207 V HA -0.138 3.981 4.120 -0.001 0.000 0.246 207 V C 1.417 177.475 176.094 -0.060 0.000 1.046 207 V CA 1.387 63.618 62.300 -0.116 0.000 1.053 207 V CB -0.341 31.350 31.823 -0.219 0.000 0.679 207 V HN 0.211 nan 8.190 nan 0.000 0.458 208 F N 0.117 120.026 119.950 -0.069 0.000 2.732 208 F HA 0.303 4.830 4.527 -0.001 0.000 0.303 208 F C 1.090 176.701 175.800 -0.315 0.000 1.110 208 F CA -0.003 57.853 58.000 -0.239 0.000 1.355 208 F CB -0.612 38.104 39.000 -0.472 0.000 1.081 208 F HN 0.231 nan 8.300 nan 0.000 0.565 209 N N 1.125 119.778 118.700 -0.079 0.000 2.608 209 N HA -0.176 4.564 4.740 -0.001 0.000 0.273 209 N C -0.913 174.545 175.510 -0.087 0.000 1.133 209 N CA 0.681 53.672 53.050 -0.098 0.000 0.726 209 N CB -0.768 37.635 38.487 -0.139 0.000 0.890 209 N HN 0.374 nan 8.380 nan 0.000 0.548 210 A N 0.965 123.755 122.820 -0.051 0.000 2.539 210 A HA 0.573 4.892 4.320 -0.001 0.000 0.296 210 A C 0.539 178.096 177.584 -0.045 0.000 1.073 210 A CA -0.384 51.630 52.037 -0.038 0.000 0.700 210 A CB 1.016 20.030 19.000 0.022 0.000 1.296 210 A HN 0.243 nan 8.150 nan 0.000 0.405 211 D N 0.001 120.362 120.400 -0.065 0.000 2.149 211 D HA 0.020 4.659 4.640 -0.001 0.000 0.201 211 D C 0.497 176.734 176.300 -0.105 0.000 0.972 211 D CA 1.302 55.253 54.000 -0.081 0.000 0.835 211 D CB 0.321 41.066 40.800 -0.092 0.000 0.966 211 D HN 0.473 nan 8.370 nan 0.000 0.476 212 R N -0.196 120.229 120.500 -0.124 0.000 2.522 212 R HA 0.354 4.693 4.340 -0.001 0.000 0.283 212 R C -1.531 174.646 176.300 -0.204 0.000 1.074 212 R CA -0.253 55.720 56.100 -0.211 0.000 0.925 212 R CB 1.894 32.048 30.300 -0.243 0.000 1.205 212 R HN -0.183 nan 8.270 nan 0.000 0.436 213 S N 2.198 117.713 115.700 -0.309 0.000 2.542 213 S HA 0.603 5.073 4.470 -0.001 0.000 0.293 213 S C -1.662 172.649 174.600 -0.482 0.000 1.089 213 S CA -0.483 57.575 58.200 -0.238 0.000 0.961 213 S CB 1.186 64.363 63.200 -0.038 0.000 1.062 213 S HN 0.404 nan 8.310 nan 0.000 0.483 214 Y N 0.949 121.163 120.300 -0.144 0.000 2.499 214 Y HA 0.547 5.097 4.550 -0.001 0.000 0.347 214 Y C -0.028 175.858 175.900 -0.023 0.000 0.987 214 Y CA -0.933 57.110 58.100 -0.096 0.000 1.044 214 Y CB 1.482 39.873 38.460 -0.115 0.000 1.245 214 Y HN 0.416 nan 8.280 nan 0.000 0.461 215 M N 3.378 123.123 119.600 0.242 0.000 2.129 215 M HA 0.501 4.980 4.480 -0.001 0.000 0.348 215 M C -1.268 175.208 176.300 0.293 0.000 1.116 215 M CA -0.808 54.612 55.300 0.201 0.000 1.022 215 M CB 1.165 33.863 32.600 0.164 0.000 1.599 215 M HN 0.267 nan 8.290 nan 0.000 0.449 216 V N 2.225 122.248 119.914 0.182 0.000 2.435 216 V HA 0.301 4.420 4.120 -0.001 0.000 0.290 216 V C 0.943 177.076 176.094 0.066 0.000 1.030 216 V CA -0.518 61.858 62.300 0.128 0.000 0.881 216 V CB 1.384 33.258 31.823 0.085 0.000 0.983 216 V HN 0.968 nan 8.190 nan 0.000 0.445 217 T N -0.770 113.797 114.554 0.021 0.000 3.163 217 T HA 0.130 4.480 4.350 -0.001 0.000 0.252 217 T C 0.683 175.380 174.700 -0.006 0.000 1.056 217 T CA 0.105 62.210 62.100 0.009 0.000 0.947 217 T CB -0.361 68.496 68.868 -0.019 0.000 1.016 217 T HN 0.487 nan 8.240 nan 0.000 0.554 218 N N 0.791 119.488 118.700 -0.006 0.000 2.466 218 N HA 0.381 5.121 4.740 -0.001 0.000 0.272 218 N C 0.525 176.040 175.510 0.008 0.000 1.455 218 N CA 0.604 53.649 53.050 -0.008 0.000 0.875 218 N CB 0.584 39.059 38.487 -0.020 0.000 1.372 218 N HN 0.631 nan 8.380 nan 0.000 0.492 219 G N -0.393 108.424 108.800 0.028 0.000 2.855 219 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.352 219 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.352 219 G C 0.708 175.626 174.900 0.029 0.000 1.415 219 G CA 0.025 45.158 45.100 0.056 0.000 0.871 219 G HN 0.162 nan 8.290 nan 0.000 0.543 220 T N 0.458 115.017 114.554 0.009 0.000 2.951 220 T HA 0.011 4.360 4.350 -0.001 0.000 0.268 220 T C 2.697 177.385 174.700 -0.021 0.000 1.073 220 T CA 1.876 63.952 62.100 -0.039 0.000 1.134 220 T CB -0.234 68.553 68.868 -0.134 0.000 0.884 220 T HN 0.682 nan 8.240 nan 0.000 0.479 221 S N 1.420 117.130 115.700 0.017 0.000 2.419 221 S HA -0.107 4.363 4.470 -0.001 0.000 0.235 221 S C 2.169 176.789 174.600 0.033 0.000 1.019 221 S CA 1.335 59.594 58.200 0.098 0.000 0.982 221 S CB -0.411 62.890 63.200 0.169 0.000 0.789 221 S HN 0.578 nan 8.310 nan 0.000 0.490 222 T N 1.330 115.874 114.554 -0.016 0.000 3.039 222 T HA 0.290 4.640 4.350 -0.001 0.000 0.250 222 T C 2.111 176.723 174.700 -0.147 0.000 1.052 222 T CA 0.617 62.657 62.100 -0.100 0.000 1.125 222 T CB -0.174 68.657 68.868 -0.062 0.000 0.908 222 T HN 0.398 nan 8.240 nan 0.000 0.473 223 A N 2.358 125.144 122.820 -0.057 0.000 1.972 223 A HA -0.115 4.205 4.320 -0.001 0.000 0.219 223 A C 2.017 179.599 177.584 -0.002 0.000 1.169 223 A CA 1.574 53.597 52.037 -0.024 0.000 0.635 223 A CB -0.776 18.234 19.000 0.017 0.000 0.810 223 A HN 0.578 nan 8.150 nan 0.000 0.446 224 N N -0.777 117.935 118.700 0.020 0.000 2.270 224 N HA -0.109 4.631 4.740 -0.001 0.000 0.181 224 N C 1.603 177.102 175.510 -0.018 0.000 1.016 224 N CA 1.259 54.362 53.050 0.088 0.000 0.870 224 N CB -0.095 38.419 38.487 0.045 0.000 0.979 224 N HN 0.358 nan 8.380 nan 0.000 0.431 225 K N 0.789 121.089 120.400 -0.166 0.000 2.097 225 K HA 0.041 4.361 4.320 -0.001 0.000 0.205 225 K C 1.662 178.070 176.600 -0.321 0.000 1.050 225 K CA 0.677 56.786 56.287 -0.297 0.000 0.938 225 K CB -0.003 32.129 32.500 -0.613 0.000 0.718 225 K HN 0.165 nan 8.250 nan 0.000 0.442 226 I N -0.137 120.226 120.570 -0.345 0.000 2.179 226 I HA -0.272 3.898 4.170 -0.001 0.000 0.242 226 I C 1.862 177.794 176.117 -0.309 0.000 1.088 226 I CA 1.039 62.161 61.300 -0.297 0.000 1.357 226 I CB -0.229 37.610 38.000 -0.269 0.000 1.051 226 I HN -0.088 nan 8.210 nan 0.000 0.409 227 V N 0.863 120.649 119.914 -0.212 0.000 2.453 227 V HA -0.115 4.005 4.120 -0.001 0.000 0.247 227 V C 2.562 178.499 176.094 -0.261 0.000 1.048 227 V CA 1.890 64.037 62.300 -0.253 0.000 1.049 227 V CB -1.389 30.222 31.823 -0.353 0.000 0.672 227 V HN 0.553 nan 8.190 nan 0.000 0.457 228 G N -0.359 108.352 108.800 -0.147 0.000 2.433 228 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.216 228 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.216 228 G C 1.626 176.413 174.900 -0.187 0.000 1.186 228 G CA 1.040 46.037 45.100 -0.171 0.000 0.779 228 G HN 0.413 nan 8.290 nan 0.000 0.543 229 M N -0.948 118.588 119.600 -0.107 0.000 2.296 229 M HA 0.066 4.546 4.480 -0.001 0.000 0.265 229 M C 2.292 178.552 176.300 -0.065 0.000 1.064 229 M CA 0.896 56.159 55.300 -0.063 0.000 1.109 229 M CB -0.161 32.446 32.600 0.011 0.000 1.396 229 M HN 0.421 nan 8.290 nan 0.000 0.430 230 Y N 0.013 120.189 120.300 -0.207 0.000 2.206 230 Y HA -0.093 4.457 4.550 -0.001 0.000 0.292 230 Y C 2.155 177.982 175.900 -0.121 0.000 1.123 230 Y CA 1.536 59.545 58.100 -0.152 0.000 1.142 230 Y CB 0.127 38.495 38.460 -0.152 0.000 1.006 230 Y HN 0.021 nan 8.280 nan 0.000 0.518 231 S N -0.068 115.489 115.700 -0.239 0.000 2.575 231 S HA 0.404 4.873 4.470 -0.001 0.000 0.215 231 S C 0.206 174.657 174.600 -0.249 0.000 0.966 231 S CA 0.302 58.325 58.200 -0.295 0.000 0.911 231 S CB 0.094 63.108 63.200 -0.310 0.000 0.780 231 S HN 0.436 nan 8.310 nan 0.000 0.514 232 A N 2.677 125.355 122.820 -0.237 0.000 2.522 232 A HA 0.681 5.001 4.320 -0.001 0.000 0.285 232 A C -3.021 174.490 177.584 -0.123 0.000 1.198 232 A CA -1.490 50.464 52.037 -0.139 0.000 0.742 232 A CB 0.857 19.796 19.000 -0.102 0.000 1.176 232 A HN 0.061 nan 8.150 nan 0.000 0.444 233 P HA 0.501 nan 4.420 nan 0.000 0.277 233 P C 0.126 177.366 177.300 -0.100 0.000 1.271 233 P CA -0.411 62.630 63.100 -0.099 0.000 0.795 233 P CB 0.717 32.364 31.700 -0.088 0.000 1.101 234 A N 0.239 122.995 122.820 -0.107 0.000 2.488 234 A HA 0.461 4.781 4.320 -0.001 0.000 0.249 234 A C 1.317 178.838 177.584 -0.104 0.000 1.083 234 A CA 0.623 52.578 52.037 -0.135 0.000 0.768 234 A CB -1.504 17.408 19.000 -0.146 0.000 1.017 234 A HN 0.868 nan 8.150 nan 0.000 0.496 235 G N 1.381 110.115 108.800 -0.110 0.000 2.176 235 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.253 235 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.253 235 G C 0.540 175.405 174.900 -0.058 0.000 0.979 235 G CA 0.843 45.899 45.100 -0.074 0.000 0.641 235 G HN 2.097 nan 8.290 nan 0.000 0.530 236 S N -0.454 115.207 115.700 -0.066 0.000 2.672 236 S HA 0.768 5.237 4.470 -0.001 0.000 0.276 236 S C 0.079 174.639 174.600 -0.068 0.000 1.207 236 S CA 0.374 58.542 58.200 -0.054 0.000 1.002 236 S CB 1.988 65.158 63.200 -0.050 0.000 0.998 236 S HN 0.596 nan 8.310 nan 0.000 0.542 237 T N 2.050 116.560 114.554 -0.073 0.000 2.837 237 T HA 0.595 4.945 4.350 -0.001 0.000 0.285 237 T C 0.074 174.693 174.700 -0.135 0.000 0.984 237 T CA -0.570 61.462 62.100 -0.114 0.000 1.049 237 T CB 0.252 69.043 68.868 -0.130 0.000 0.947 237 T HN 0.729 nan 8.240 nan 0.000 0.472 238 I N 0.047 120.521 120.570 -0.160 0.000 2.646 238 I HA 0.678 4.848 4.170 -0.001 0.000 0.299 238 I C -1.131 174.835 176.117 -0.253 0.000 1.036 238 I CA -1.428 59.780 61.300 -0.153 0.000 1.074 238 I CB 1.493 39.447 38.000 -0.077 0.000 1.258 238 I HN 0.413 nan 8.210 nan 0.000 0.430 239 L N 5.984 127.060 121.223 -0.245 0.000 2.282 239 L HA 0.624 4.964 4.340 -0.001 0.000 0.288 239 L C -0.566 176.222 176.870 -0.136 0.000 1.033 239 L CA -0.462 54.198 54.840 -0.299 0.000 0.807 239 L CB 1.730 43.614 42.059 -0.292 0.000 1.209 239 L HN 0.614 nan 8.230 nan 0.000 0.423 240 I N 2.192 122.676 120.570 -0.142 0.000 2.569 240 I HA 0.290 4.460 4.170 -0.001 0.000 0.290 240 I C -0.833 175.414 176.117 0.217 0.000 1.088 240 I CA -0.570 60.737 61.300 0.011 0.000 1.047 240 I CB 2.161 40.112 38.000 -0.081 0.000 1.237 240 I HN 0.498 nan 8.210 nan 0.000 0.421 241 D N 4.693 125.250 120.400 0.262 0.000 2.414 241 D HA 0.051 4.691 4.640 -0.001 0.000 0.242 241 D C 0.953 177.407 176.300 0.257 0.000 1.129 241 D CA 0.256 54.420 54.000 0.272 0.000 0.885 241 D CB 1.337 42.211 40.800 0.123 0.000 1.198 241 D HN 0.473 nan 8.370 nan 0.000 0.437 242 R N 2.137 122.789 120.500 0.254 0.000 2.115 242 R HA -0.018 4.322 4.340 -0.001 0.000 0.226 242 R C 0.412 176.793 176.300 0.135 0.000 1.100 242 R CA 0.625 56.835 56.100 0.182 0.000 0.980 242 R CB -0.306 30.070 30.300 0.126 0.000 0.875 242 R HN 0.300 nan 8.270 nan 0.000 0.445 243 N N 0.675 119.457 118.700 0.138 0.000 3.050 243 N HA 0.022 4.762 4.740 -0.001 0.000 0.289 243 N C -1.192 174.410 175.510 0.154 0.000 1.209 243 N CA -0.154 52.970 53.050 0.125 0.000 1.154 243 N CB -0.460 38.104 38.487 0.129 0.000 1.444 243 N HN 0.340 nan 8.380 nan 0.000 0.529 244 C N 0.299 119.684 119.300 0.141 0.000 2.719 244 C HA 0.559 5.019 4.460 -0.001 0.000 0.327 244 C C 0.652 175.746 174.990 0.174 0.000 1.238 244 C CA -1.274 57.835 59.018 0.152 0.000 1.727 244 C CB 1.256 29.067 27.740 0.119 0.000 2.256 244 C HN 0.577 nan 8.230 nan 0.000 0.489 245 H N 0.692 119.813 119.070 0.084 0.000 2.607 245 H HA 0.157 4.713 4.556 -0.001 0.000 0.367 245 H C 0.874 176.214 175.328 0.020 0.000 1.181 245 H CA 0.324 56.422 56.048 0.083 0.000 1.402 245 H CB 1.147 30.960 29.762 0.086 0.000 1.474 245 H HN 0.880 nan 8.280 nan 0.000 0.596 246 K N 1.235 121.272 120.400 -0.606 0.000 2.211 246 K HA -0.155 4.164 4.320 -0.001 0.000 0.204 246 K C 2.103 178.479 176.600 -0.373 0.000 1.047 246 K CA 1.732 57.737 56.287 -0.470 0.000 0.935 246 K CB -0.152 32.081 32.500 -0.444 0.000 0.728 246 K HN 0.561 nan 8.250 nan 0.000 0.452 247 S N -0.094 115.559 115.700 -0.078 0.000 2.387 247 S HA -0.095 4.374 4.470 -0.001 0.000 0.226 247 S C 1.934 176.591 174.600 0.094 0.000 1.026 247 S CA 0.945 59.269 58.200 0.205 0.000 0.972 247 S CB -0.492 62.914 63.200 0.343 0.000 0.814 247 S HN 0.305 nan 8.310 nan 0.000 0.477 248 L N 1.396 122.654 121.223 0.057 0.000 2.201 248 L HA -0.046 4.293 4.340 -0.001 0.000 0.212 248 L C 2.768 179.632 176.870 -0.009 0.000 1.105 248 L CA 1.329 56.183 54.840 0.024 0.000 0.775 248 L CB -0.981 41.094 42.059 0.027 0.000 0.913 248 L HN 0.386 nan 8.230 nan 0.000 0.440 249 T N -2.163 112.338 114.554 -0.088 0.000 2.812 249 T HA -0.173 4.177 4.350 -0.001 0.000 0.264 249 T C 1.677 176.306 174.700 -0.117 0.000 1.042 249 T CA 1.322 63.348 62.100 -0.123 0.000 1.140 249 T CB -0.346 68.383 68.868 -0.232 0.000 0.870 249 T HN 0.451 nan 8.240 nan 0.000 0.445 250 H N 0.737 119.786 119.070 -0.035 0.000 2.421 250 H HA 0.071 4.626 4.556 -0.001 0.000 0.298 250 H C 2.321 177.624 175.328 -0.041 0.000 1.087 250 H CA 0.666 56.671 56.048 -0.072 0.000 1.330 250 H CB -0.115 29.603 29.762 -0.074 0.000 1.388 250 H HN 0.062 nan 8.280 nan 0.000 0.526 251 L N 0.631 121.910 121.223 0.094 0.000 2.042 251 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 251 L C 1.703 178.611 176.870 0.063 0.000 1.076 251 L CA 1.845 56.721 54.840 0.060 0.000 0.749 251 L CB -0.451 41.626 42.059 0.030 0.000 0.893 251 L HN 0.447 nan 8.230 nan 0.000 0.432 252 M N -1.480 118.155 119.600 0.058 0.000 2.419 252 M HA -0.146 4.334 4.480 -0.001 0.000 0.264 252 M C 2.069 178.459 176.300 0.150 0.000 1.082 252 M CA 1.130 56.476 55.300 0.077 0.000 1.119 252 M CB -0.068 32.566 32.600 0.057 0.000 1.398 252 M HN 0.239 nan 8.290 nan 0.000 0.453 253 M N -0.062 119.605 119.600 0.112 0.000 2.447 253 M HA -0.005 4.475 4.480 -0.001 0.000 0.264 253 M C 2.071 178.476 176.300 0.175 0.000 1.095 253 M CA 0.995 56.348 55.300 0.088 0.000 1.125 253 M CB -0.019 32.501 32.600 -0.133 0.000 1.389 253 M HN 0.377 nan 8.290 nan 0.000 0.459 254 M N -2.862 116.860 119.600 0.205 0.000 2.421 254 M HA 0.299 4.779 4.480 -0.001 0.000 0.258 254 M C -0.046 176.463 176.300 0.350 0.000 1.122 254 M CA 0.233 55.698 55.300 0.275 0.000 1.078 254 M CB 0.459 33.135 32.600 0.126 0.000 1.380 254 M HN -0.210 nan 8.290 nan 0.000 0.499 255 S N 2.177 117.999 115.700 0.205 0.000 2.451 255 S HA 0.272 4.742 4.470 -0.001 0.000 0.301 255 S C -0.825 173.622 174.600 -0.256 0.000 1.116 255 S CA -0.545 57.634 58.200 -0.034 0.000 1.093 255 S CB 1.604 64.786 63.200 -0.031 0.000 1.017 255 S HN 0.259 nan 8.310 nan 0.000 0.482 256 D N 3.207 123.179 120.400 -0.713 0.000 2.498 256 D HA 0.279 4.919 4.640 -0.001 0.000 0.229 256 D C -0.321 175.805 176.300 -0.291 0.000 1.188 256 D CA -0.104 53.424 54.000 -0.788 0.000 1.028 256 D CB -0.321 39.921 40.800 -0.929 0.000 1.087 256 D HN 0.292 nan 8.370 nan 0.000 0.510 257 V N 0.358 120.184 119.914 -0.147 0.000 2.876 257 V HA 0.648 4.767 4.120 -0.001 0.000 0.312 257 V C 0.154 176.212 176.094 -0.061 0.000 1.085 257 V CA -0.937 61.307 62.300 -0.094 0.000 0.945 257 V CB 1.871 33.645 31.823 -0.082 0.000 1.017 257 V HN 0.173 nan 8.190 nan 0.000 0.428 258 T N 5.493 120.002 114.554 -0.074 0.000 2.733 258 T HA 0.577 4.926 4.350 -0.001 0.000 0.294 258 T C -2.640 171.973 174.700 -0.145 0.000 0.956 258 T CA -0.857 61.196 62.100 -0.078 0.000 0.987 258 T CB 1.277 70.107 68.868 -0.062 0.000 0.920 258 T HN 0.760 nan 8.240 nan 0.000 0.470 259 P HA 0.579 nan 4.420 nan 0.000 0.293 259 P C -0.912 176.097 177.300 -0.484 0.000 1.291 259 P CA -0.809 62.052 63.100 -0.398 0.000 0.867 259 P CB 1.154 32.515 31.700 -0.565 0.000 1.074 260 I N 2.976 123.229 120.570 -0.527 0.000 2.418 260 I HA 0.312 4.482 4.170 -0.001 0.000 0.287 260 I C -0.312 175.470 176.117 -0.559 0.000 1.008 260 I CA -0.938 60.084 61.300 -0.463 0.000 1.104 260 I CB 1.026 38.794 38.000 -0.386 0.000 1.264 260 I HN 0.250 nan 8.210 nan 0.000 0.438 261 Y N 5.301 125.467 120.300 -0.224 0.000 2.304 261 Y HA 0.370 4.920 4.550 -0.001 0.000 0.328 261 Y C 0.186 175.945 175.900 -0.234 0.000 1.123 261 Y CA -0.252 57.745 58.100 -0.171 0.000 1.218 261 Y CB 0.623 39.041 38.460 -0.070 0.000 1.207 261 Y HN 0.329 nan 8.280 nan 0.000 0.495 262 F N 3.197 123.161 119.950 0.024 0.000 2.444 262 F HA 0.334 4.861 4.527 -0.001 0.000 0.331 262 F C 0.550 176.352 175.800 0.003 0.000 1.167 262 F CA -0.336 57.628 58.000 -0.060 0.000 1.262 262 F CB 0.638 39.563 39.000 -0.125 0.000 1.196 262 F HN 0.242 nan 8.300 nan 0.000 0.583 263 R N 2.789 123.408 120.500 0.199 0.000 2.287 263 R HA 0.317 4.657 4.340 -0.001 0.000 0.316 263 R C -2.881 173.491 176.300 0.120 0.000 1.050 263 R CA -1.915 54.257 56.100 0.120 0.000 0.983 263 R CB 0.495 30.832 30.300 0.063 0.000 1.140 263 R HN 0.245 nan 8.270 nan 0.000 0.528 264 P HA 0.115 nan 4.420 nan 0.000 0.282 264 P C 0.028 177.357 177.300 0.047 0.000 1.249 264 P CA -0.262 62.899 63.100 0.103 0.000 0.806 264 P CB 0.935 32.705 31.700 0.116 0.000 0.984 265 T N 0.390 114.947 114.554 0.005 0.000 2.813 265 T HA 0.515 4.865 4.350 -0.001 0.000 0.297 265 T C 0.355 175.105 174.700 0.084 0.000 1.036 265 T CA -0.640 61.465 62.100 0.008 0.000 1.044 265 T CB 0.503 69.316 68.868 -0.092 0.000 0.993 265 T HN 0.654 nan 8.240 nan 0.000 0.535 266 R N 0.559 121.237 120.500 0.297 0.000 2.643 266 R HA 0.503 4.843 4.340 -0.001 0.000 0.269 266 R C -0.964 175.665 176.300 0.549 0.000 1.037 266 R CA -1.040 55.314 56.100 0.423 0.000 0.894 266 R CB 1.073 31.457 30.300 0.139 0.000 1.238 266 R HN 0.744 nan 8.270 nan 0.000 0.459 267 N N 1.406 120.306 118.700 0.333 0.000 2.681 267 N HA 0.296 5.036 4.740 -0.001 0.000 0.311 267 N C 0.592 176.122 175.510 0.035 0.000 1.303 267 N CA -0.260 52.805 53.050 0.025 0.000 0.926 267 N CB 0.292 38.571 38.487 -0.346 0.000 1.136 267 N HN 0.633 nan 8.380 nan 0.000 0.592 268 A N -1.220 121.520 122.820 -0.133 0.000 2.016 268 A HA 0.014 4.334 4.320 -0.001 0.000 0.217 268 A C 1.602 179.051 177.584 -0.226 0.000 1.162 268 A CA 0.690 52.579 52.037 -0.246 0.000 0.662 268 A CB -1.011 17.732 19.000 -0.429 0.000 0.812 268 A HN 0.613 nan 8.150 nan 0.000 0.450 269 Y N -1.044 119.221 120.300 -0.058 0.000 2.337 269 Y HA 0.255 4.804 4.550 -0.001 0.000 0.293 269 Y C 2.102 177.979 175.900 -0.039 0.000 1.123 269 Y CA 0.953 59.032 58.100 -0.035 0.000 1.201 269 Y CB 0.015 38.407 38.460 -0.114 0.000 1.011 269 Y HN 0.433 nan 8.280 nan 0.000 0.545 270 G N -0.351 108.488 108.800 0.066 0.000 2.227 270 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.168 270 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.168 270 G C -0.046 174.806 174.900 -0.080 0.000 1.006 270 G CA -0.347 44.739 45.100 -0.024 0.000 0.684 270 G HN 0.165 nan 8.290 nan 0.000 0.489 271 I N 1.920 122.439 120.570 -0.085 0.000 2.517 271 I HA 0.265 4.435 4.170 -0.001 0.000 0.285 271 I C 0.530 176.694 176.117 0.078 0.000 1.106 271 I CA -0.433 60.787 61.300 -0.132 0.000 1.402 271 I CB 0.752 38.471 38.000 -0.469 0.000 1.399 271 I HN -0.043 nan 8.210 nan 0.000 0.535 272 L N 7.195 128.439 121.223 0.034 0.000 2.315 272 L HA 0.318 4.658 4.340 -0.001 0.000 0.283 272 L C 0.985 177.911 176.870 0.095 0.000 1.089 272 L CA 0.433 55.311 54.840 0.062 0.000 0.833 272 L CB 0.485 42.532 42.059 -0.020 0.000 1.170 272 L HN 0.666 nan 8.230 nan 0.000 0.442 273 G N 1.962 110.758 108.800 -0.006 0.000 2.563 273 G HA2 0.514 4.473 3.960 -0.001 0.000 0.283 273 G HA3 0.514 4.473 3.960 -0.001 0.000 0.283 273 G C 0.176 174.916 174.900 -0.268 0.000 1.309 273 G CA -0.265 44.570 45.100 -0.442 0.000 1.022 273 G HN 0.744 nan 8.290 nan 0.000 0.501 274 G N -1.528 107.048 108.800 -0.373 0.000 2.572 274 G HA2 0.436 4.395 3.960 -0.001 0.000 0.261 274 G HA3 0.436 4.395 3.960 -0.001 0.000 0.261 274 G C -0.093 174.891 174.900 0.140 0.000 1.197 274 G CA -0.710 44.257 45.100 -0.221 0.000 0.870 274 G HN 0.593 nan 8.290 nan 0.000 0.548 275 I N 2.048 122.923 120.570 0.508 0.000 2.471 275 I HA 0.154 4.323 4.170 -0.001 0.000 0.286 275 I C -1.836 174.584 176.117 0.505 0.000 1.079 275 I CA -1.506 60.039 61.300 0.407 0.000 1.398 275 I CB 1.283 39.436 38.000 0.255 0.000 1.403 275 I HN 0.209 nan 8.210 nan 0.000 0.530 276 P HA -0.020 nan 4.420 nan 0.000 0.269 276 P C 0.102 177.489 177.300 0.146 0.000 1.211 276 P CA -0.030 63.107 63.100 0.061 0.000 0.781 276 P CB 0.458 32.182 31.700 0.040 0.000 0.877 277 Q N 0.673 120.405 119.800 -0.113 0.000 2.291 277 Q HA -0.122 4.218 4.340 -0.001 0.000 0.205 277 Q C 1.811 178.020 176.000 0.348 0.000 0.970 277 Q CA 1.714 57.584 55.803 0.112 0.000 0.876 277 Q CB -0.336 28.230 28.738 -0.285 0.000 0.935 277 Q HN 0.579 nan 8.270 nan 0.000 0.455 278 S N 0.480 116.295 115.700 0.192 0.000 2.453 278 S HA -0.084 4.385 4.470 -0.001 0.000 0.231 278 S C 1.580 176.287 174.600 0.178 0.000 1.005 278 S CA 0.536 58.842 58.200 0.176 0.000 0.949 278 S CB 0.037 63.298 63.200 0.102 0.000 0.774 278 S HN 0.244 nan 8.310 nan 0.000 0.510 279 E N 0.703 121.001 120.200 0.163 0.000 2.208 279 E HA 0.055 4.404 4.350 -0.001 0.000 0.193 279 E C 1.066 177.699 176.600 0.054 0.000 0.988 279 E CA 0.668 57.101 56.400 0.055 0.000 0.828 279 E CB -0.273 29.427 29.700 0.000 0.000 0.763 279 E HN 0.704 nan 8.360 nan 0.000 0.478 280 F N 1.317 121.449 119.950 0.303 0.000 2.743 280 F HA 0.070 4.597 4.527 -0.001 0.000 0.297 280 F C 1.366 177.287 175.800 0.202 0.000 1.131 280 F CA 0.178 58.352 58.000 0.290 0.000 1.426 280 F CB 0.157 39.329 39.000 0.286 0.000 1.116 280 F HN -0.199 nan 8.300 nan 0.000 0.583 281 Q N -0.024 119.978 119.800 0.336 0.000 2.394 281 Q HA -0.030 4.310 4.340 -0.001 0.000 0.248 281 Q C 1.313 177.466 176.000 0.255 0.000 0.992 281 Q CA -0.214 55.749 55.803 0.267 0.000 0.888 281 Q CB 0.611 29.489 28.738 0.233 0.000 1.257 281 Q HN 0.269 nan 8.270 nan 0.000 0.462 282 H N 1.209 120.395 119.070 0.194 0.000 2.422 282 H HA -0.141 4.414 4.556 -0.001 0.000 0.298 282 H C 1.447 176.912 175.328 0.228 0.000 1.098 282 H CA 1.756 57.955 56.048 0.252 0.000 1.315 282 H CB 0.453 30.315 29.762 0.168 0.000 1.382 282 H HN 0.753 nan 8.280 nan 0.000 0.523 283 A N -0.266 122.704 122.820 0.249 0.000 1.898 283 A HA -0.082 4.237 4.320 -0.001 0.000 0.214 283 A C 2.592 180.241 177.584 0.108 0.000 1.183 283 A CA 1.546 53.687 52.037 0.172 0.000 0.622 283 A CB -0.691 18.394 19.000 0.142 0.000 0.824 283 A HN 0.460 nan 8.150 nan 0.000 0.444 284 T N 0.536 115.145 114.554 0.092 0.000 2.821 284 T HA -0.044 4.305 4.350 -0.001 0.000 0.267 284 T C 1.758 176.453 174.700 -0.008 0.000 1.046 284 T CA 1.471 63.597 62.100 0.043 0.000 1.139 284 T CB -0.406 68.489 68.868 0.044 0.000 0.871 284 T HN 0.423 nan 8.240 nan 0.000 0.454 285 I N 1.631 122.188 120.570 -0.022 0.000 2.252 285 I HA -0.087 4.082 4.170 -0.001 0.000 0.245 285 I C 2.966 179.063 176.117 -0.033 0.000 1.102 285 I CA 0.996 62.219 61.300 -0.129 0.000 1.385 285 I CB -0.519 37.324 38.000 -0.262 0.000 1.064 285 I HN 0.173 nan 8.210 nan 0.000 0.414 286 A N 0.669 123.564 122.820 0.125 0.000 1.972 286 A HA -0.237 4.083 4.320 -0.001 0.000 0.219 286 A C 2.399 180.037 177.584 0.090 0.000 1.169 286 A CA 1.699 53.856 52.037 0.200 0.000 0.635 286 A CB -0.478 18.613 19.000 0.152 0.000 0.810 286 A HN 0.359 nan 8.150 nan 0.000 0.446 287 K N -0.470 119.959 120.400 0.048 0.000 2.062 287 K HA -0.069 4.250 4.320 -0.001 0.000 0.205 287 K C 2.215 178.816 176.600 0.002 0.000 1.051 287 K CA 1.054 57.356 56.287 0.026 0.000 0.941 287 K CB -0.127 32.386 32.500 0.021 0.000 0.719 287 K HN 0.429 nan 8.250 nan 0.000 0.440 288 R N 0.077 120.561 120.500 -0.028 0.000 2.148 288 R HA -0.041 4.299 4.340 -0.001 0.000 0.223 288 R C 2.189 178.456 176.300 -0.055 0.000 1.088 288 R CA 0.810 56.876 56.100 -0.056 0.000 0.985 288 R CB -0.098 30.137 30.300 -0.108 0.000 0.880 288 R HN 0.041 nan 8.270 nan 0.000 0.451 289 V N 1.542 121.433 119.914 -0.040 0.000 2.343 289 V HA -0.271 3.849 4.120 -0.001 0.000 0.247 289 V C 2.386 178.485 176.094 0.008 0.000 1.051 289 V CA 1.725 64.017 62.300 -0.015 0.000 1.036 289 V CB -0.406 31.452 31.823 0.059 0.000 0.654 289 V HN 0.293 nan 8.190 nan 0.000 0.451 290 K N -0.124 120.288 120.400 0.020 0.000 2.097 290 K HA -0.188 4.132 4.320 -0.001 0.000 0.205 290 K C 2.065 178.668 176.600 0.006 0.000 1.050 290 K CA 1.637 57.935 56.287 0.018 0.000 0.938 290 K CB -0.033 32.481 32.500 0.023 0.000 0.718 290 K HN 0.558 nan 8.250 nan 0.000 0.442 291 E N -0.245 119.954 120.200 -0.002 0.000 2.216 291 E HA -0.031 4.319 4.350 -0.001 0.000 0.192 291 E C -0.176 176.418 176.600 -0.009 0.000 0.988 291 E CA 0.637 57.034 56.400 -0.005 0.000 0.834 291 E CB 0.378 30.073 29.700 -0.009 0.000 0.772 291 E HN 0.155 nan 8.360 nan 0.000 0.479 292 T N 3.116 117.660 114.554 -0.017 0.000 2.767 292 T HA 0.267 4.617 4.350 -0.001 0.000 0.288 292 T C -2.438 172.255 174.700 -0.013 0.000 0.963 292 T CA -1.656 60.433 62.100 -0.019 0.000 1.019 292 T CB 1.398 70.242 68.868 -0.039 0.000 0.923 292 T HN -0.117 nan 8.240 nan 0.000 0.468 293 P HA 0.259 nan 4.420 nan 0.000 0.271 293 P C 0.156 177.452 177.300 -0.006 0.000 1.218 293 P CA -0.281 62.817 63.100 -0.002 0.000 0.780 293 P CB 0.171 31.872 31.700 0.002 0.000 0.901 294 N N -1.619 117.078 118.700 -0.004 0.000 2.753 294 N HA -0.203 4.537 4.740 -0.001 0.000 0.251 294 N C -0.453 175.048 175.510 -0.015 0.000 1.097 294 N CA 0.754 53.800 53.050 -0.006 0.000 0.786 294 N CB -1.452 37.032 38.487 -0.005 0.000 1.137 294 N HN 0.534 nan 8.380 nan 0.000 0.566 295 A N 0.208 123.018 122.820 -0.016 0.000 2.288 295 A HA 0.682 5.002 4.320 -0.001 0.000 0.320 295 A C 0.761 178.344 177.584 -0.002 0.000 1.217 295 A CA 0.060 52.080 52.037 -0.028 0.000 0.840 295 A CB 0.763 19.733 19.000 -0.050 0.000 1.179 295 A HN 0.260 nan 8.150 nan 0.000 0.504 296 T N -0.404 114.154 114.554 0.007 0.000 2.898 296 T HA 0.483 4.833 4.350 -0.001 0.000 0.283 296 T C 0.257 175.019 174.700 0.103 0.000 1.059 296 T CA -0.675 61.464 62.100 0.064 0.000 0.958 296 T CB 0.450 69.359 68.868 0.067 0.000 1.594 296 T HN 0.718 nan 8.240 nan 0.000 0.598 297 W N 2.898 124.171 121.300 -0.044 0.000 2.303 297 W HA 0.304 4.964 4.660 -0.001 0.000 0.318 297 W C -2.588 173.904 176.519 -0.046 0.000 1.362 297 W CA -2.036 55.278 57.345 -0.052 0.000 1.234 297 W CB 0.166 29.605 29.460 -0.034 0.000 1.248 297 W HN 0.427 nan 8.180 nan 0.000 0.546 298 P HA -0.117 nan 4.420 nan 0.000 0.265 298 P C 0.617 177.734 177.300 -0.305 0.000 1.193 298 P CA 0.432 63.243 63.100 -0.482 0.000 0.765 298 P CB 0.808 32.128 31.700 -0.634 0.000 0.823 299 V N -0.452 119.398 119.914 -0.106 0.000 3.621 299 V HA 0.290 4.410 4.120 -0.001 0.000 0.263 299 V C 0.252 176.404 176.094 0.096 0.000 1.272 299 V CA 0.626 62.935 62.300 0.014 0.000 1.080 299 V CB -0.766 31.075 31.823 0.029 0.000 0.816 299 V HN 0.509 nan 8.190 nan 0.000 0.451 300 H N 0.501 119.533 119.070 -0.063 0.000 2.947 300 H HA 0.798 5.353 4.556 -0.001 0.000 0.354 300 H C -0.850 174.455 175.328 -0.038 0.000 1.085 300 H CA 0.102 56.139 56.048 -0.017 0.000 1.253 300 H CB 1.839 31.595 29.762 -0.010 0.000 1.757 300 H HN 0.418 nan 8.280 nan 0.000 0.523 301 A N 4.573 127.135 122.820 -0.430 0.000 2.319 301 A HA 0.627 4.947 4.320 -0.001 0.000 0.310 301 A C -1.294 176.059 177.584 -0.386 0.000 1.152 301 A CA -0.625 51.245 52.037 -0.279 0.000 0.783 301 A CB 0.963 19.919 19.000 -0.072 0.000 1.184 301 A HN 0.438 nan 8.150 nan 0.000 0.474 302 V N 3.801 123.565 119.914 -0.250 0.000 2.417 302 V HA 0.524 4.644 4.120 -0.001 0.000 0.291 302 V C -0.458 175.539 176.094 -0.161 0.000 1.024 302 V CA -0.154 61.993 62.300 -0.256 0.000 0.861 302 V CB 1.017 32.680 31.823 -0.266 0.000 0.985 302 V HN 0.725 nan 8.190 nan 0.000 0.436 303 I N 2.929 123.363 120.570 -0.227 0.000 2.533 303 I HA 0.362 4.532 4.170 -0.001 0.000 0.290 303 I C 0.112 176.210 176.117 -0.030 0.000 1.056 303 I CA -0.394 60.782 61.300 -0.205 0.000 1.057 303 I CB 2.378 40.178 38.000 -0.332 0.000 1.240 303 I HN 0.451 nan 8.210 nan 0.000 0.423 304 T N 4.020 118.590 114.554 0.027 0.000 2.738 304 T HA 0.200 4.550 4.350 -0.001 0.000 0.294 304 T C -0.212 174.646 174.700 0.262 0.000 0.914 304 T CA -0.145 62.053 62.100 0.163 0.000 1.052 304 T CB -0.390 68.601 68.868 0.206 0.000 0.897 304 T HN 0.480 nan 8.240 nan 0.000 0.522 305 N N 2.364 121.240 118.700 0.293 0.000 2.461 305 N HA 0.366 5.106 4.740 -0.001 0.000 0.284 305 N C -0.220 175.428 175.510 0.230 0.000 1.049 305 N CA -0.564 52.686 53.050 0.334 0.000 0.889 305 N CB 1.338 39.989 38.487 0.274 0.000 1.365 305 N HN 0.512 nan 8.380 nan 0.000 0.499 306 S N 1.360 117.202 115.700 0.237 0.000 2.713 306 S HA 0.547 5.017 4.470 -0.001 0.000 0.277 306 S C 0.520 175.305 174.600 0.309 0.000 1.168 306 S CA -0.509 57.860 58.200 0.282 0.000 0.994 306 S CB 0.312 63.639 63.200 0.213 0.000 1.054 306 S HN 0.640 nan 8.310 nan 0.000 0.555 307 T N -1.559 113.143 114.554 0.247 0.000 2.701 307 T HA 0.150 4.500 4.350 -0.001 0.000 0.303 307 T C 0.709 175.440 174.700 0.050 0.000 1.030 307 T CA -0.168 62.055 62.100 0.204 0.000 1.010 307 T CB -0.258 68.706 68.868 0.160 0.000 1.007 307 T HN 0.606 nan 8.240 nan 0.000 0.532 308 Y N 0.556 120.784 120.300 -0.121 0.000 2.224 308 Y HA -0.059 4.491 4.550 -0.001 0.000 0.289 308 Y C 1.905 177.597 175.900 -0.347 0.000 1.146 308 Y CA 1.702 59.540 58.100 -0.436 0.000 1.182 308 Y CB -0.099 38.215 38.460 -0.243 0.000 0.983 308 Y HN 0.720 nan 8.280 nan 0.000 0.524 309 D N -0.713 119.726 120.400 0.065 0.000 2.340 309 D HA 0.165 4.805 4.640 -0.001 0.000 0.220 309 D C 0.614 177.013 176.300 0.164 0.000 1.039 309 D CA 0.936 54.982 54.000 0.076 0.000 0.866 309 D CB 0.096 40.911 40.800 0.025 0.000 0.913 309 D HN 0.359 nan 8.370 nan 0.000 0.523 310 G N 1.060 109.938 108.800 0.130 0.000 2.546 310 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.285 310 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.285 310 G C -0.475 174.587 174.900 0.271 0.000 1.105 310 G CA -0.542 44.682 45.100 0.207 0.000 1.189 310 G HN 0.274 nan 8.290 nan 0.000 0.534 311 L N 1.073 122.415 121.223 0.199 0.000 2.406 311 L HA 0.526 4.866 4.340 -0.001 0.000 0.270 311 L C 0.488 177.372 176.870 0.024 0.000 0.982 311 L CA -0.858 54.059 54.840 0.129 0.000 0.843 311 L CB 1.717 43.817 42.059 0.070 0.000 1.225 311 L HN 0.252 nan 8.230 nan 0.000 0.412 312 L N 3.380 124.649 121.223 0.077 0.000 2.305 312 L HA 0.364 4.704 4.340 -0.001 0.000 0.281 312 L C -0.577 176.285 176.870 -0.014 0.000 1.085 312 L CA -0.326 54.571 54.840 0.095 0.000 0.813 312 L CB 0.636 42.798 42.059 0.172 0.000 1.157 312 L HN 0.378 nan 8.230 nan 0.000 0.436 313 Y N 1.522 121.808 120.300 -0.023 0.000 2.304 313 Y HA 0.046 4.596 4.550 -0.000 0.000 0.327 313 Y C 0.829 176.689 175.900 -0.066 0.000 1.209 313 Y CA -0.235 57.785 58.100 -0.133 0.000 1.299 313 Y CB 0.454 38.853 38.460 -0.102 0.000 1.249 313 Y HN 0.491 nan 8.280 nan 0.000 0.519 314 N N 1.321 120.062 118.700 0.069 0.000 2.466 314 N HA -0.023 4.716 4.740 -0.001 0.000 0.263 314 N C 0.820 176.406 175.510 0.126 0.000 1.178 314 N CA 0.246 53.391 53.050 0.158 0.000 0.983 314 N CB 0.339 38.941 38.487 0.190 0.000 1.331 314 N HN 0.757 nan 8.380 nan 0.000 0.500 315 T N -0.642 113.926 114.554 0.024 0.000 2.915 315 T HA -0.081 4.268 4.350 -0.001 0.000 0.269 315 T C 0.964 175.686 174.700 0.037 0.000 1.071 315 T CA 0.821 62.894 62.100 -0.044 0.000 1.132 315 T CB -0.014 68.691 68.868 -0.272 0.000 0.878 315 T HN 0.237 nan 8.240 nan 0.000 0.479 316 D N 0.135 120.569 120.400 0.055 0.000 2.310 316 D HA 0.077 4.717 4.640 -0.001 0.000 0.212 316 D C 1.265 177.637 176.300 0.121 0.000 0.965 316 D CA 0.329 54.369 54.000 0.068 0.000 0.879 316 D CB -0.311 40.522 40.800 0.055 0.000 0.921 316 D HN 0.491 nan 8.370 nan 0.000 0.510 317 F N 0.636 120.597 119.950 0.018 0.000 2.220 317 F HA 0.064 4.591 4.527 -0.000 0.000 0.290 317 F C 2.031 177.820 175.800 -0.018 0.000 1.080 317 F CA 0.651 58.663 58.000 0.020 0.000 1.318 317 F CB 0.041 39.070 39.000 0.050 0.000 1.063 317 F HN -0.192 nan 8.300 nan 0.000 0.498 318 I N 0.546 121.139 120.570 0.040 0.000 2.315 318 I HA -0.278 3.892 4.170 -0.001 0.000 0.248 318 I C 2.090 178.185 176.117 -0.036 0.000 1.117 318 I CA 1.363 62.593 61.300 -0.116 0.000 1.404 318 I CB -0.556 37.369 38.000 -0.125 0.000 1.071 318 I HN 0.065 nan 8.210 nan 0.000 0.419 319 K N 0.688 121.108 120.400 0.033 0.000 2.147 319 K HA -0.195 4.124 4.320 -0.001 0.000 0.205 319 K C 2.170 178.768 176.600 -0.003 0.000 1.049 319 K CA 1.220 57.535 56.287 0.047 0.000 0.936 319 K CB -0.042 32.495 32.500 0.061 0.000 0.722 319 K HN 0.239 nan 8.250 nan 0.000 0.446 320 K N -0.107 120.253 120.400 -0.067 0.000 2.168 320 K HA -0.003 4.317 4.320 -0.001 0.000 0.201 320 K C 1.770 178.295 176.600 -0.125 0.000 1.049 320 K CA 1.010 57.246 56.287 -0.086 0.000 0.974 320 K CB 0.352 32.794 32.500 -0.097 0.000 0.792 320 K HN -0.014 nan 8.250 nan 0.000 0.463 321 T N 1.559 115.953 114.554 -0.267 0.000 2.732 321 T HA -0.054 4.295 4.350 -0.001 0.000 0.261 321 T C 0.527 175.228 174.700 0.002 0.000 1.040 321 T CA 0.295 62.243 62.100 -0.253 0.000 1.145 321 T CB -0.065 68.420 68.868 -0.638 0.000 0.866 321 T HN 0.043 nan 8.240 nan 0.000 0.427 322 L N 3.156 124.414 121.223 0.057 0.000 2.477 322 L HA 0.115 4.455 4.340 -0.001 0.000 0.272 322 L C -0.103 176.874 176.870 0.178 0.000 1.157 322 L CA 0.305 55.256 54.840 0.185 0.000 0.889 322 L CB 0.312 42.508 42.059 0.227 0.000 1.158 322 L HN 0.056 nan 8.230 nan 0.000 0.473 323 D N 4.827 125.391 120.400 0.273 0.000 2.889 323 D HA 0.124 4.764 4.640 -0.001 0.000 0.243 323 D C -0.519 175.999 176.300 0.364 0.000 1.270 323 D CA 0.163 54.366 54.000 0.338 0.000 0.838 323 D CB 0.313 41.423 40.800 0.516 0.000 1.040 323 D HN 0.197 nan 8.370 nan 0.000 0.480 324 V N 1.362 121.401 119.914 0.207 0.000 2.483 324 V HA 0.101 4.221 4.120 -0.001 0.000 0.295 324 V C 1.536 177.712 176.094 0.137 0.000 1.035 324 V CA -0.787 61.597 62.300 0.139 0.000 0.896 324 V CB 2.213 34.042 31.823 0.010 0.000 0.986 324 V HN 0.139 nan 8.190 nan 0.000 0.447 325 K N 1.722 122.211 120.400 0.150 0.000 2.365 325 K HA 0.035 4.354 4.320 -0.001 0.000 0.199 325 K C 0.769 177.457 176.600 0.147 0.000 1.045 325 K CA 0.950 57.318 56.287 0.136 0.000 0.962 325 K CB 0.239 32.819 32.500 0.133 0.000 0.759 325 K HN 0.453 nan 8.250 nan 0.000 0.469 326 S N 0.676 116.481 115.700 0.175 0.000 2.707 326 S HA 0.482 4.952 4.470 -0.001 0.000 0.303 326 S C -1.054 173.655 174.600 0.182 0.000 1.132 326 S CA -0.948 57.423 58.200 0.285 0.000 1.046 326 S CB 0.542 64.028 63.200 0.476 0.000 1.004 326 S HN 0.276 nan 8.310 nan 0.000 0.483 327 I N 5.218 125.868 120.570 0.134 0.000 2.389 327 I HA 0.395 4.565 4.170 -0.001 0.000 0.288 327 I C -0.379 175.721 176.117 -0.029 0.000 0.999 327 I CA -0.793 60.463 61.300 -0.073 0.000 1.129 327 I CB 1.465 39.375 38.000 -0.150 0.000 1.288 327 I HN 0.607 nan 8.210 nan 0.000 0.444 328 H N 6.900 125.781 119.070 -0.314 0.000 2.481 328 H HA 0.480 5.036 4.556 -0.001 0.000 0.333 328 H C -1.707 173.391 175.328 -0.384 0.000 1.066 328 H CA -0.953 55.009 56.048 -0.143 0.000 1.209 328 H CB 1.146 30.840 29.762 -0.113 0.000 1.445 328 H HN 0.293 nan 8.280 nan 0.000 0.488 329 F N 2.994 123.209 119.950 0.442 0.000 2.402 329 F HA 0.119 4.645 4.527 -0.001 0.000 0.355 329 F C 0.559 176.550 175.800 0.319 0.000 1.123 329 F CA -0.980 57.176 58.000 0.260 0.000 1.021 329 F CB 1.186 40.255 39.000 0.115 0.000 1.160 329 F HN 0.467 nan 8.300 nan 0.000 0.451 330 D N 1.957 122.563 120.400 0.344 0.000 2.551 330 D HA 0.087 4.727 4.640 -0.001 0.000 0.223 330 D C 0.077 176.476 176.300 0.166 0.000 1.144 330 D CA 0.250 54.376 54.000 0.210 0.000 1.025 330 D CB 0.243 41.089 40.800 0.077 0.000 1.085 330 D HN 0.273 nan 8.370 nan 0.000 0.506 331 S N 1.813 117.602 115.700 0.150 0.000 2.994 331 S HA 0.212 4.682 4.470 -0.001 0.000 0.247 331 S C 1.518 176.086 174.600 -0.053 0.000 1.323 331 S CA -0.199 58.040 58.200 0.064 0.000 1.246 331 S CB 0.423 63.656 63.200 0.053 0.000 0.994 331 S HN 0.543 nan 8.310 nan 0.000 0.484 332 A N -0.020 122.706 122.820 -0.157 0.000 2.168 332 A HA 0.064 4.384 4.320 -0.001 0.000 0.215 332 A C 1.072 178.268 177.584 -0.646 0.000 1.152 332 A CA 0.408 52.169 52.037 -0.460 0.000 0.716 332 A CB -0.336 18.270 19.000 -0.656 0.000 0.794 332 A HN 0.811 nan 8.150 nan 0.000 0.465 333 W N -1.034 120.224 121.300 -0.071 0.000 2.714 333 W HA 0.307 4.966 4.660 -0.000 0.000 0.353 333 W C 0.100 176.564 176.519 -0.091 0.000 0.999 333 W CA -0.007 57.305 57.345 -0.056 0.000 1.629 333 W CB 0.956 30.384 29.460 -0.053 0.000 1.106 333 W HN 0.102 nan 8.180 nan 0.000 0.545 334 V N -1.433 118.422 119.914 -0.099 0.000 2.464 334 V HA 0.353 4.473 4.120 -0.001 0.000 0.255 334 V C -2.498 173.255 176.094 -0.569 0.000 0.946 334 V CA -1.593 60.336 62.300 -0.618 0.000 0.988 334 V CB 0.464 32.002 31.823 -0.475 0.000 1.210 334 V HN -0.167 nan 8.190 nan 0.000 0.523 335 P HA 0.275 nan 4.420 nan 0.000 0.254 335 P C -0.032 177.383 177.300 0.191 0.000 1.620 335 P CA 0.137 63.253 63.100 0.026 0.000 1.050 335 P CB -0.503 31.306 31.700 0.183 0.000 1.539 336 Y N -3.376 116.951 120.300 0.045 0.000 2.672 336 Y HA 0.279 4.829 4.550 -0.001 0.000 0.252 336 Y C 1.567 177.268 175.900 -0.332 0.000 1.132 336 Y CA -0.175 57.971 58.100 0.075 0.000 1.228 336 Y CB -1.192 37.288 38.460 0.034 0.000 1.310 336 Y HN -0.191 nan 8.280 nan 0.000 0.549 337 T N -2.640 111.508 114.554 -0.677 0.000 2.904 337 T HA -0.094 4.256 4.350 -0.001 0.000 0.267 337 T C 1.290 175.690 174.700 -0.499 0.000 1.059 337 T CA 1.541 63.189 62.100 -0.754 0.000 1.137 337 T CB -0.375 68.132 68.868 -0.600 0.000 0.879 337 T HN 0.308 nan 8.240 nan 0.000 0.467 338 N N 0.011 118.177 118.700 -0.890 0.000 2.370 338 N HA 0.217 4.957 4.740 -0.001 0.000 0.198 338 N C 0.123 175.068 175.510 -0.941 0.000 1.156 338 N CA 0.050 52.534 53.050 -0.942 0.000 0.839 338 N CB -0.230 37.630 38.487 -1.045 0.000 0.989 338 N HN 0.489 nan 8.380 nan 0.000 0.468 339 F N -2.336 117.553 119.950 -0.103 0.000 2.747 339 F HA 0.410 4.937 4.527 -0.001 0.000 0.305 339 F C 0.942 176.745 175.800 0.006 0.000 1.065 339 F CA -0.553 57.399 58.000 -0.080 0.000 1.230 339 F CB -0.236 38.696 39.000 -0.113 0.000 1.027 339 F HN -0.148 nan 8.300 nan 0.000 0.607 340 S N 2.902 118.740 115.700 0.229 0.000 2.489 340 S HA 0.342 4.811 4.470 -0.001 0.000 0.291 340 S C -1.612 173.057 174.600 0.116 0.000 1.151 340 S CA -1.580 56.744 58.200 0.207 0.000 1.082 340 S CB 1.110 64.512 63.200 0.336 0.000 1.019 340 S HN -0.111 nan 8.310 nan 0.000 0.492 341 P HA 0.016 nan 4.420 nan 0.000 0.239 341 P C 1.086 178.322 177.300 -0.108 0.000 1.184 341 P CA 0.565 63.640 63.100 -0.041 0.000 0.760 341 P CB -0.343 31.329 31.700 -0.046 0.000 0.884 342 I N -6.043 114.413 120.570 -0.189 0.000 3.419 342 I HA 0.052 4.222 4.170 -0.001 0.000 0.286 342 I C 1.065 176.908 176.117 -0.458 0.000 1.268 342 I CA 0.313 61.392 61.300 -0.369 0.000 1.414 342 I CB -0.799 36.895 38.000 -0.510 0.000 1.074 342 I HN -0.262 nan 8.210 nan 0.000 0.457 343 Y N 2.324 122.529 120.300 -0.158 0.000 2.583 343 Y HA 0.347 4.896 4.550 -0.001 0.000 0.294 343 Y C 0.343 176.117 175.900 -0.208 0.000 1.170 343 Y CA -0.475 57.517 58.100 -0.181 0.000 1.265 343 Y CB -0.295 38.085 38.460 -0.133 0.000 1.119 343 Y HN 0.197 nan 8.280 nan 0.000 0.522 344 E N 0.661 120.795 120.200 -0.110 0.000 2.257 344 E HA 0.273 4.623 4.350 -0.001 0.000 0.278 344 E C 0.809 177.317 176.600 -0.153 0.000 1.049 344 E CA 0.317 56.645 56.400 -0.119 0.000 0.876 344 E CB 0.666 30.301 29.700 -0.109 0.000 1.035 344 E HN 0.580 nan 8.360 nan 0.000 0.419 345 G N 3.631 112.355 108.800 -0.127 0.000 2.182 345 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.248 345 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.248 345 G C 0.495 175.313 174.900 -0.136 0.000 1.042 345 G CA 0.456 45.487 45.100 -0.113 0.000 0.775 345 G HN 0.589 nan 8.290 nan 0.000 0.501 346 K N -1.374 118.938 120.400 -0.147 0.000 2.562 346 K HA 0.288 4.607 4.320 -0.001 0.000 0.218 346 K C 1.099 177.618 176.600 -0.136 0.000 1.374 346 K CA 0.513 56.725 56.287 -0.125 0.000 0.996 346 K CB 0.619 33.028 32.500 -0.151 0.000 1.127 346 K HN 0.748 nan 8.250 nan 0.000 0.603 347 C N -2.203 116.984 119.300 -0.189 0.000 2.595 347 C HA 0.729 5.189 4.460 -0.001 0.000 0.338 347 C C 1.830 176.609 174.990 -0.351 0.000 1.219 347 C CA -0.768 58.086 59.018 -0.273 0.000 1.811 347 C CB 0.791 28.383 27.740 -0.246 0.000 2.313 347 C HN 0.366 nan 8.230 nan 0.000 0.499 348 G N 0.389 108.920 108.800 -0.448 0.000 2.534 348 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.217 348 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.217 348 G C 1.036 175.861 174.900 -0.125 0.000 1.128 348 G CA 0.536 45.407 45.100 -0.382 0.000 0.784 348 G HN 0.693 nan 8.290 nan 0.000 0.542 349 M N 0.758 120.273 119.600 -0.142 0.000 2.502 349 M HA 0.227 4.706 4.480 -0.001 0.000 0.243 349 M C 1.356 177.579 176.300 -0.128 0.000 1.130 349 M CA -0.127 55.101 55.300 -0.120 0.000 1.055 349 M CB -0.150 32.358 32.600 -0.154 0.000 1.457 349 M HN 0.138 nan 8.290 nan 0.000 0.488 350 S N -0.016 115.600 115.700 -0.140 0.000 2.579 350 S HA 0.439 4.909 4.470 -0.001 0.000 0.275 350 S C 1.379 175.927 174.600 -0.087 0.000 1.345 350 S CA 0.876 59.003 58.200 -0.121 0.000 1.031 350 S CB 0.577 63.700 63.200 -0.127 0.000 0.892 350 S HN 0.725 nan 8.310 nan 0.000 0.529 351 G N 2.956 111.712 108.800 -0.074 0.000 4.766 351 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.314 351 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.314 351 G C 0.824 175.693 174.900 -0.050 0.000 1.427 351 G CA 0.399 45.467 45.100 -0.053 0.000 1.024 351 G HN 2.067 nan 8.290 nan 0.000 0.754 352 G N -0.960 107.812 108.800 -0.046 0.000 2.491 352 G HA2 0.480 4.440 3.960 -0.001 0.000 0.183 352 G HA3 0.480 4.440 3.960 -0.001 0.000 0.183 352 G C -0.528 174.350 174.900 -0.036 0.000 1.221 352 G CA 0.239 45.312 45.100 -0.044 0.000 0.996 352 G HN 0.869 nan 8.290 nan 0.000 0.474 353 R N -0.645 119.834 120.500 -0.034 0.000 2.594 353 R HA 0.539 4.879 4.340 -0.001 0.000 0.272 353 R C -0.602 175.687 176.300 -0.018 0.000 1.074 353 R CA -0.171 55.910 56.100 -0.031 0.000 1.105 353 R CB 1.339 31.620 30.300 -0.032 0.000 1.008 353 R HN 0.287 nan 8.270 nan 0.000 0.472 354 V N 2.310 122.217 119.914 -0.012 0.000 2.487 354 V HA 0.134 4.253 4.120 -0.001 0.000 0.298 354 V C -0.072 176.023 176.094 0.002 0.000 1.028 354 V CA -0.857 61.442 62.300 -0.000 0.000 0.860 354 V CB 1.663 33.494 31.823 0.012 0.000 0.991 354 V HN 0.730 nan 8.190 nan 0.000 0.427 355 E N 3.033 123.236 120.200 0.005 0.000 2.493 355 E HA 0.267 4.617 4.350 -0.001 0.000 0.255 355 E C 1.283 177.894 176.600 0.018 0.000 0.999 355 E CA 0.980 57.385 56.400 0.007 0.000 0.934 355 E CB 0.418 30.122 29.700 0.006 0.000 0.940 355 E HN 1.136 nan 8.360 nan 0.000 0.473 356 G N 3.588 112.399 108.800 0.019 0.000 2.168 356 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.263 356 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.263 356 G C 0.037 174.964 174.900 0.045 0.000 0.977 356 G CA 0.546 45.665 45.100 0.032 0.000 0.659 356 G HN 0.448 nan 8.290 nan 0.000 0.533 357 K N -0.673 119.747 120.400 0.034 0.000 2.371 357 K HA 0.697 5.017 4.320 -0.001 0.000 0.251 357 K C -0.906 175.697 176.600 0.005 0.000 0.934 357 K CA -0.859 55.453 56.287 0.041 0.000 0.798 357 K CB 3.286 35.815 32.500 0.048 0.000 1.204 357 K HN 0.254 nan 8.250 nan 0.000 0.427 358 V N 4.596 124.509 119.914 -0.002 0.000 2.495 358 V HA 0.476 4.596 4.120 -0.001 0.000 0.298 358 V C -1.140 174.837 176.094 -0.195 0.000 1.031 358 V CA -0.804 61.419 62.300 -0.128 0.000 0.871 358 V CB 1.138 32.870 31.823 -0.151 0.000 0.988 358 V HN 0.561 nan 8.190 nan 0.000 0.432 359 I N 7.322 127.736 120.570 -0.261 0.000 2.377 359 I HA 0.473 4.643 4.170 -0.001 0.000 0.293 359 I C -0.680 175.263 176.117 -0.291 0.000 0.987 359 I CA -0.441 60.780 61.300 -0.132 0.000 1.185 359 I CB 1.202 39.230 38.000 0.047 0.000 1.341 359 I HN 0.572 nan 8.210 nan 0.000 0.455 360 Y N 3.338 123.669 120.300 0.053 0.000 2.468 360 Y HA 0.504 5.053 4.550 -0.001 0.000 0.342 360 Y C 0.279 176.208 175.900 0.049 0.000 1.021 360 Y CA -0.665 57.414 58.100 -0.035 0.000 1.079 360 Y CB 2.063 40.378 38.460 -0.243 0.000 1.226 360 Y HN 0.454 nan 8.280 nan 0.000 0.460 361 E N 1.422 121.749 120.200 0.211 0.000 2.265 361 E HA 0.257 4.607 4.350 -0.001 0.000 0.262 361 E C -1.396 175.289 176.600 0.141 0.000 0.889 361 E CA -0.692 55.841 56.400 0.221 0.000 0.789 361 E CB 1.784 31.626 29.700 0.236 0.000 1.221 361 E HN 0.657 nan 8.360 nan 0.000 0.414 362 T N 0.956 115.606 114.554 0.160 0.000 2.770 362 T HA 0.416 4.766 4.350 -0.001 0.000 0.297 362 T C -0.108 174.615 174.700 0.038 0.000 0.997 362 T CA -0.836 61.320 62.100 0.094 0.000 0.949 362 T CB 1.058 70.031 68.868 0.175 0.000 0.941 362 T HN 0.274 nan 8.240 nan 0.000 0.457 363 Q N 1.955 121.738 119.800 -0.028 0.000 2.312 363 Q HA 0.476 4.815 4.340 -0.001 0.000 0.263 363 Q C -0.512 175.414 176.000 -0.123 0.000 0.995 363 Q CA -0.806 54.959 55.803 -0.064 0.000 0.853 363 Q CB 1.961 30.693 28.738 -0.011 0.000 1.300 363 Q HN 0.634 nan 8.270 nan 0.000 0.448 364 S N 1.663 117.228 115.700 -0.225 0.000 2.494 364 S HA 0.048 4.518 4.470 -0.001 0.000 0.312 364 S C 0.756 175.203 174.600 -0.255 0.000 1.121 364 S CA -0.268 57.734 58.200 -0.329 0.000 1.068 364 S CB 0.348 63.175 63.200 -0.621 0.000 1.141 364 S HN 0.592 nan 8.310 nan 0.000 0.527 365 T N 2.203 116.703 114.554 -0.089 0.000 2.995 365 T HA -0.070 4.280 4.350 -0.001 0.000 0.269 365 T C 0.802 175.532 174.700 0.051 0.000 1.091 365 T CA 1.169 63.284 62.100 0.025 0.000 1.128 365 T CB -0.350 68.567 68.868 0.082 0.000 0.891 365 T HN 0.868 nan 8.240 nan 0.000 0.492 369 L N 0.538 121.836 121.223 0.126 0.000 2.488 369 L HA 0.615 4.954 4.340 -0.001 0.000 0.249 369 L C 0.610 177.533 176.870 0.088 0.000 1.151 369 L CA -0.353 54.562 54.840 0.126 0.000 0.806 369 L CB 0.734 42.897 42.059 0.173 0.000 1.261 369 L HN 0.058 nan 8.230 nan 0.000 0.484 370 A N 0.807 123.671 122.820 0.073 0.000 2.478 370 A HA 0.704 5.024 4.320 -0.001 0.000 0.327 370 A C -0.295 177.319 177.584 0.050 0.000 1.431 370 A CA -0.105 51.956 52.037 0.041 0.000 1.014 370 A CB -0.227 18.784 19.000 0.018 0.000 1.143 370 A HN 0.697 nan 8.150 nan 0.000 0.532 371 A N 1.827 124.680 122.820 0.054 0.000 2.610 371 A HA 0.741 5.060 4.320 -0.001 0.000 0.291 371 A C -0.760 176.865 177.584 0.068 0.000 1.086 371 A CA -0.679 51.411 52.037 0.088 0.000 0.677 371 A CB 0.412 19.512 19.000 0.168 0.000 1.278 371 A HN 0.520 nan 8.150 nan 0.000 0.414 372 F N 1.352 121.366 119.950 0.107 0.000 2.535 372 F HA 0.291 4.818 4.527 -0.000 0.000 0.332 372 F C 1.580 177.379 175.800 -0.002 0.000 1.208 372 F CA 1.152 59.192 58.000 0.067 0.000 1.330 372 F CB 0.710 39.756 39.000 0.077 0.000 1.167 372 F HN 0.504 nan 8.300 nan 0.000 0.597 373 S N 0.749 116.519 115.700 0.116 0.000 2.584 373 S HA 0.053 4.522 4.470 -0.001 0.000 0.270 373 S C 0.293 174.791 174.600 -0.169 0.000 1.346 373 S CA -0.266 57.773 58.200 -0.268 0.000 1.018 373 S CB 0.694 63.769 63.200 -0.209 0.000 0.899 373 S HN 0.689 nan 8.310 nan 0.000 0.542 374 Q N -2.129 117.495 119.800 -0.294 0.000 2.374 374 Q HA -0.223 4.116 4.340 -0.001 0.000 0.218 374 Q C -0.078 175.946 176.000 0.040 0.000 0.691 374 Q CA 0.835 56.595 55.803 -0.073 0.000 1.340 374 Q CB -1.857 26.850 28.738 -0.051 0.000 1.498 374 Q HN 0.809 nan 8.270 nan 0.000 0.739 375 A N 0.982 123.871 122.820 0.116 0.000 2.320 375 A HA 0.653 4.972 4.320 -0.001 0.000 0.287 375 A C 0.004 177.681 177.584 0.155 0.000 1.181 375 A CA 0.380 52.510 52.037 0.154 0.000 0.831 375 A CB 1.541 20.656 19.000 0.191 0.000 1.102 375 A HN 0.165 nan 8.150 nan 0.000 0.513 376 S N 1.882 117.631 115.700 0.082 0.000 2.556 376 S HA 0.753 5.222 4.470 -0.001 0.000 0.271 376 S C -0.862 173.725 174.600 -0.022 0.000 1.135 376 S CA -0.618 57.597 58.200 0.025 0.000 0.858 376 S CB 0.875 64.088 63.200 0.022 0.000 1.114 376 S HN 0.655 nan 8.310 nan 0.000 0.468 377 M N 3.397 122.926 119.600 -0.118 0.000 2.456 377 M HA 0.567 5.047 4.480 -0.001 0.000 0.324 377 M C -1.171 174.940 176.300 -0.314 0.000 1.124 377 M CA -0.456 54.670 55.300 -0.290 0.000 0.959 377 M CB 1.934 34.199 32.600 -0.559 0.000 1.692 377 M HN 0.483 nan 8.290 nan 0.000 0.444 378 I N 3.142 123.551 120.570 -0.269 0.000 2.390 378 I HA 0.287 4.456 4.170 -0.001 0.000 0.283 378 I C -0.713 175.288 176.117 -0.194 0.000 1.016 378 I CA -0.692 60.538 61.300 -0.116 0.000 1.151 378 I CB 0.683 38.769 38.000 0.142 0.000 1.293 378 I HN 0.553 nan 8.210 nan 0.000 0.458 379 H N 5.935 125.027 119.070 0.037 0.000 2.519 379 H HA 0.407 4.963 4.556 -0.001 0.000 0.316 379 H C -0.552 174.763 175.328 -0.022 0.000 1.065 379 H CA -0.533 55.507 56.048 -0.015 0.000 1.264 379 H CB 2.021 31.758 29.762 -0.043 0.000 1.413 379 H HN 0.191 nan 8.280 nan 0.000 0.465 380 V N 4.124 124.046 119.914 0.013 0.000 2.370 380 V HA 0.155 4.275 4.120 -0.001 0.000 0.283 380 V C 0.327 176.319 176.094 -0.170 0.000 1.023 380 V CA -0.820 61.376 62.300 -0.173 0.000 0.857 380 V CB 1.572 33.239 31.823 -0.260 0.000 0.985 380 V HN 0.524 nan 8.190 nan 0.000 0.443 381 K N 3.714 123.985 120.400 -0.214 0.000 2.464 381 K HA 0.734 5.054 4.320 -0.001 0.000 0.252 381 K C 0.020 176.515 176.600 -0.174 0.000 1.000 381 K CA 0.588 56.785 56.287 -0.149 0.000 0.951 381 K CB 0.821 33.266 32.500 -0.091 0.000 1.183 381 K HN 1.052 nan 8.250 nan 0.000 0.445 382 G N 2.122 110.834 108.800 -0.147 0.000 2.302 382 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.264 382 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.264 382 G C -1.804 173.035 174.900 -0.102 0.000 1.335 382 G CA -0.924 44.106 45.100 -0.117 0.000 0.982 382 G HN 0.406 nan 8.290 nan 0.000 0.473 383 D N 1.000 121.362 120.400 -0.063 0.000 2.256 383 D HA 0.562 5.201 4.640 -0.001 0.000 0.240 383 D C 0.244 176.546 176.300 0.004 0.000 1.062 383 D CA 0.094 54.075 54.000 -0.031 0.000 0.832 383 D CB 1.777 42.575 40.800 -0.005 0.000 1.135 383 D HN 1.019 nan 8.370 nan 0.000 0.484 384 V N 0.222 120.135 119.914 -0.001 0.000 2.925 384 V HA 0.481 4.601 4.120 -0.001 0.000 0.311 384 V C -0.000 176.152 176.094 0.097 0.000 1.104 384 V CA -1.180 61.165 62.300 0.074 0.000 0.954 384 V CB 2.261 34.028 31.823 -0.094 0.000 1.022 384 V HN 0.303 nan 8.190 nan 0.000 0.427 385 N N 2.038 120.884 118.700 0.242 0.000 2.400 385 N HA 0.073 4.813 4.740 -0.001 0.000 0.267 385 N C 0.821 176.436 175.510 0.176 0.000 1.208 385 N CA 0.535 53.711 53.050 0.210 0.000 0.951 385 N CB 1.125 39.773 38.487 0.269 0.000 1.227 385 N HN 1.029 nan 8.380 nan 0.000 0.488 386 E N 2.598 122.855 120.200 0.094 0.000 2.150 386 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 386 E C 0.686 177.355 176.600 0.115 0.000 0.985 386 E CA 1.069 57.516 56.400 0.079 0.000 0.814 386 E CB 0.364 30.082 29.700 0.029 0.000 0.752 386 E HN 0.650 nan 8.360 nan 0.000 0.466 387 E N -0.730 119.539 120.200 0.114 0.000 2.107 387 E HA -0.098 4.252 4.350 -0.001 0.000 0.191 387 E C 1.848 178.529 176.600 0.135 0.000 0.982 387 E CA 1.457 57.924 56.400 0.111 0.000 0.809 387 E CB 0.174 29.927 29.700 0.088 0.000 0.756 387 E HN 0.198 nan 8.360 nan 0.000 0.459 388 T N 0.403 115.071 114.554 0.188 0.000 3.009 388 T HA -0.036 4.314 4.350 -0.001 0.000 0.258 388 T C 1.419 176.280 174.700 0.269 0.000 1.063 388 T CA 0.251 62.491 62.100 0.234 0.000 1.139 388 T CB -0.198 68.845 68.868 0.291 0.000 0.890 388 T HN 0.104 nan 8.240 nan 0.000 0.471 389 F N 2.813 122.779 119.950 0.027 0.000 2.186 389 F HA -0.013 4.513 4.527 -0.001 0.000 0.299 389 F C 2.095 177.784 175.800 -0.185 0.000 1.090 389 F CA 0.851 58.659 58.000 -0.320 0.000 1.307 389 F CB -0.233 38.381 39.000 -0.643 0.000 1.019 389 F HN 0.043 nan 8.300 nan 0.000 0.489 390 N N 0.331 119.067 118.700 0.061 0.000 2.309 390 N HA -0.169 4.570 4.740 -0.001 0.000 0.182 390 N C 1.742 177.313 175.510 0.101 0.000 1.018 390 N CA 1.209 54.328 53.050 0.114 0.000 0.876 390 N CB -0.213 38.396 38.487 0.203 0.000 0.972 390 N HN 0.258 nan 8.380 nan 0.000 0.434 391 E N 0.084 120.316 120.200 0.052 0.000 2.051 391 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 391 E C 1.748 178.333 176.600 -0.026 0.000 0.991 391 E CA 1.163 57.579 56.400 0.026 0.000 0.799 391 E CB -0.409 29.314 29.700 0.039 0.000 0.748 391 E HN 0.481 nan 8.360 nan 0.000 0.449 392 A N 0.158 122.931 122.820 -0.078 0.000 2.014 392 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 392 A C 2.026 179.534 177.584 -0.126 0.000 1.163 392 A CA 1.014 52.981 52.037 -0.118 0.000 0.652 392 A CB -0.614 18.275 19.000 -0.186 0.000 0.808 392 A HN 0.367 nan 8.150 nan 0.000 0.449 393 Y N -0.279 119.819 120.300 -0.337 0.000 2.263 393 Y HA -0.060 4.489 4.550 -0.001 0.000 0.292 393 Y C 2.201 178.039 175.900 -0.103 0.000 1.130 393 Y CA 1.877 59.817 58.100 -0.266 0.000 1.179 393 Y CB -0.146 38.129 38.460 -0.307 0.000 0.998 393 Y HN 0.239 nan 8.280 nan 0.000 0.532 394 M N -0.606 118.946 119.600 -0.080 0.000 2.394 394 M HA -0.163 4.316 4.480 -0.001 0.000 0.264 394 M C 2.006 178.202 176.300 -0.174 0.000 1.073 394 M CA 1.254 56.469 55.300 -0.141 0.000 1.111 394 M CB -0.128 32.456 32.600 -0.026 0.000 1.401 394 M HN 0.393 nan 8.290 nan 0.000 0.448 395 M N -0.991 118.508 119.600 -0.170 0.000 2.159 395 M HA -0.206 4.274 4.480 -0.001 0.000 0.263 395 M C 1.768 177.845 176.300 -0.373 0.000 1.063 395 M CA 1.375 56.518 55.300 -0.261 0.000 1.110 395 M CB -0.365 32.055 32.600 -0.300 0.000 1.374 395 M HN 0.303 nan 8.290 nan 0.000 0.411 396 H N -1.583 117.371 119.070 -0.193 0.000 2.639 396 H HA 0.186 4.741 4.556 -0.001 0.000 0.267 396 H C 0.314 175.509 175.328 -0.222 0.000 0.958 396 H CA 0.523 56.462 56.048 -0.182 0.000 1.221 396 H CB 0.247 29.909 29.762 -0.166 0.000 1.446 396 H HN 0.193 nan 8.280 nan 0.000 0.512 397 T N 1.317 115.728 114.554 -0.237 0.000 2.856 397 T HA 0.112 4.462 4.350 -0.001 0.000 0.292 397 T C 0.617 175.187 174.700 -0.216 0.000 0.980 397 T CA -0.168 61.750 62.100 -0.303 0.000 1.091 397 T CB 2.193 70.691 68.868 -0.617 0.000 0.936 397 T HN 0.094 nan 8.240 nan 0.000 0.503 398 T N 1.377 115.838 114.554 -0.156 0.000 2.860 398 T HA 0.125 4.474 4.350 -0.001 0.000 0.299 398 T C 1.830 176.457 174.700 -0.121 0.000 1.045 398 T CA 0.084 62.114 62.100 -0.116 0.000 1.071 398 T CB 0.382 69.203 68.868 -0.078 0.000 0.985 398 T HN 0.790 nan 8.240 nan 0.000 0.537 399 T N 0.650 115.149 114.554 -0.092 0.000 2.904 399 T HA 0.069 4.419 4.350 -0.001 0.000 0.267 399 T C 0.815 175.470 174.700 -0.075 0.000 1.059 399 T CA 0.386 62.435 62.100 -0.084 0.000 1.137 399 T CB 0.057 68.888 68.868 -0.062 0.000 0.879 399 T HN 0.386 nan 8.240 nan 0.000 0.467 400 S N 3.563 119.231 115.700 -0.053 0.000 2.577 400 S HA 0.500 4.970 4.470 -0.001 0.000 0.294 400 S C -2.546 172.035 174.600 -0.032 0.000 1.161 400 S CA -1.139 57.046 58.200 -0.025 0.000 1.143 400 S CB 1.333 64.542 63.200 0.015 0.000 0.991 400 S HN 0.423 nan 8.310 nan 0.000 0.475 401 P HA 0.225 nan 4.420 nan 0.000 0.282 401 P C -0.801 176.456 177.300 -0.073 0.000 1.259 401 P CA -0.593 62.442 63.100 -0.109 0.000 0.826 401 P CB 0.555 32.134 31.700 -0.202 0.000 1.064 402 H N 1.796 120.813 119.070 -0.088 0.000 2.944 402 H HA 0.058 4.613 4.556 -0.001 0.000 0.278 402 H C 0.255 175.554 175.328 -0.048 0.000 1.083 402 H CA 0.230 56.261 56.048 -0.028 0.000 1.479 402 H CB 0.238 29.968 29.762 -0.054 0.000 1.486 402 H HN 0.364 nan 8.280 nan 0.000 0.493 403 Y N 3.143 123.259 120.300 -0.307 0.000 2.483 403 Y HA -0.104 4.445 4.550 -0.001 0.000 0.291 403 Y C 2.465 178.247 175.900 -0.197 0.000 1.143 403 Y CA 1.178 59.168 58.100 -0.183 0.000 1.289 403 Y CB 0.159 38.535 38.460 -0.141 0.000 0.983 403 Y HN 0.781 nan 8.280 nan 0.000 0.556 404 G N -0.142 108.481 108.800 -0.295 0.000 2.403 404 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.216 404 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.216 404 G C 1.620 176.538 174.900 0.031 0.000 1.154 404 G CA 0.906 45.932 45.100 -0.123 0.000 0.784 404 G HN 0.405 nan 8.290 nan 0.000 0.538 405 I N 0.551 121.221 120.570 0.168 0.000 2.353 405 I HA -0.109 4.060 4.170 -0.001 0.000 0.248 405 I C 2.686 178.887 176.117 0.141 0.000 1.119 405 I CA 0.320 61.717 61.300 0.162 0.000 1.417 405 I CB -0.167 37.909 38.000 0.128 0.000 1.078 405 I HN 0.003 nan 8.210 nan 0.000 0.421 406 V N 1.180 121.140 119.914 0.077 0.000 2.343 406 V HA -0.270 3.850 4.120 -0.001 0.000 0.247 406 V C 2.742 178.876 176.094 0.066 0.000 1.051 406 V CA 2.005 64.337 62.300 0.053 0.000 1.036 406 V CB -1.104 30.708 31.823 -0.018 0.000 0.654 406 V HN 0.484 nan 8.190 nan 0.000 0.451 407 A N 0.925 123.786 122.820 0.068 0.000 1.930 407 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 407 A C 2.531 180.178 177.584 0.106 0.000 1.175 407 A CA 2.064 54.125 52.037 0.039 0.000 0.627 407 A CB -0.717 18.285 19.000 0.003 0.000 0.815 407 A HN 0.678 nan 8.150 nan 0.000 0.443 408 S N -0.713 115.117 115.700 0.217 0.000 2.423 408 S HA -0.129 4.341 4.470 -0.001 0.000 0.231 408 S C 1.769 176.483 174.600 0.189 0.000 1.014 408 S CA 1.763 60.120 58.200 0.262 0.000 0.965 408 S CB -1.076 62.406 63.200 0.471 0.000 0.785 408 S HN 0.496 nan 8.310 nan 0.000 0.495 409 T N 1.960 116.614 114.554 0.167 0.000 2.777 409 T HA -0.050 4.300 4.350 -0.001 0.000 0.266 409 T C 1.750 176.537 174.700 0.146 0.000 1.040 409 T CA 1.462 63.646 62.100 0.139 0.000 1.141 409 T CB -0.335 68.599 68.868 0.110 0.000 0.868 409 T HN 0.605 nan 8.240 nan 0.000 0.444 410 E N 0.496 120.771 120.200 0.125 0.000 2.072 410 E HA -0.115 4.235 4.350 -0.001 0.000 0.190 410 E C 2.107 178.799 176.600 0.153 0.000 0.982 410 E CA 1.113 57.596 56.400 0.139 0.000 0.803 410 E CB 0.003 29.732 29.700 0.048 0.000 0.755 410 E HN 0.405 nan 8.360 nan 0.000 0.453 411 T N 0.717 115.333 114.554 0.104 0.000 2.788 411 T HA -0.097 4.253 4.350 -0.001 0.000 0.268 411 T C 1.872 176.646 174.700 0.124 0.000 1.044 411 T CA 1.080 63.236 62.100 0.093 0.000 1.139 411 T CB -0.205 68.715 68.868 0.087 0.000 0.867 411 T HN 0.266 nan 8.240 nan 0.000 0.454 412 A N 1.441 124.350 122.820 0.148 0.000 1.933 412 A HA 0.154 4.474 4.320 -0.001 0.000 0.218 412 A C 2.614 180.306 177.584 0.179 0.000 1.175 412 A CA 1.732 53.860 52.037 0.152 0.000 0.628 412 A CB -0.962 18.147 19.000 0.182 0.000 0.814 412 A HN 0.518 nan 8.150 nan 0.000 0.444 413 A N -0.387 122.605 122.820 0.287 0.000 1.929 413 A HA 0.279 4.599 4.320 -0.001 0.000 0.216 413 A C 2.398 180.081 177.584 0.166 0.000 1.176 413 A CA 1.653 53.885 52.037 0.325 0.000 0.628 413 A CB -0.767 18.520 19.000 0.478 0.000 0.816 413 A HN 0.999 nan 8.150 nan 0.000 0.444 414 A N -0.756 122.239 122.820 0.290 0.000 2.066 414 A HA 0.052 4.372 4.320 -0.001 0.000 0.218 414 A C 2.033 179.657 177.584 0.066 0.000 1.157 414 A CA 1.301 53.497 52.037 0.265 0.000 0.670 414 A CB -0.497 18.619 19.000 0.193 0.000 0.804 414 A HN 0.502 nan 8.150 nan 0.000 0.453 415 M N -0.897 118.711 119.600 0.012 0.000 2.659 415 M HA 0.046 4.525 4.480 -0.001 0.000 0.243 415 M C 1.328 177.528 176.300 -0.168 0.000 1.111 415 M CA 0.634 55.905 55.300 -0.050 0.000 1.070 415 M CB -0.017 32.568 32.600 -0.025 0.000 1.525 415 M HN 0.341 nan 8.290 nan 0.000 0.517 416 M N -1.026 118.398 119.600 -0.293 0.000 2.571 416 M HA 0.164 4.644 4.480 -0.001 0.000 0.259 416 M C 0.706 176.765 176.300 -0.402 0.000 1.205 416 M CA 0.412 55.344 55.300 -0.613 0.000 1.138 416 M CB -0.309 31.452 32.600 -1.399 0.000 1.329 416 M HN 0.005 nan 8.290 nan 0.000 0.503 417 K N 1.450 121.717 120.400 -0.222 0.000 2.326 417 K HA 0.384 4.704 4.320 -0.001 0.000 0.275 417 K C 0.452 177.019 176.600 -0.054 0.000 1.018 417 K CA 0.806 57.024 56.287 -0.114 0.000 0.962 417 K CB 0.506 32.967 32.500 -0.064 0.000 0.953 417 K HN 0.342 nan 8.250 nan 0.000 0.475 418 G N 2.775 111.557 108.800 -0.030 0.000 2.796 418 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.571 418 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.571 418 G C 0.146 175.040 174.900 -0.009 0.000 1.370 418 G CA -0.195 44.901 45.100 -0.006 0.000 0.856 418 G HN 0.742 nan 8.290 nan 0.000 0.538 419 N N 0.096 118.798 118.700 0.004 0.000 2.309 419 N HA -0.009 4.731 4.740 -0.001 0.000 0.182 419 N C 2.609 178.120 175.510 0.002 0.000 1.018 419 N CA 1.897 54.949 53.050 0.005 0.000 0.876 419 N CB -0.512 37.980 38.487 0.009 0.000 0.972 419 N HN 1.030 nan 8.380 nan 0.000 0.434 420 A N 0.578 123.402 122.820 0.007 0.000 1.972 420 A HA 0.017 4.337 4.320 -0.001 0.000 0.219 420 A C 2.331 179.905 177.584 -0.017 0.000 1.169 420 A CA 1.807 53.849 52.037 0.008 0.000 0.635 420 A CB -0.903 18.114 19.000 0.029 0.000 0.810 420 A HN 0.357 nan 8.150 nan 0.000 0.446 421 G N -0.612 108.161 108.800 -0.044 0.000 2.411 421 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.213 421 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.213 421 G C 1.624 176.468 174.900 -0.093 0.000 1.166 421 G CA 0.738 45.776 45.100 -0.103 0.000 0.802 421 G HN 0.530 nan 8.290 nan 0.000 0.533 422 K N 0.165 120.538 120.400 -0.046 0.000 2.147 422 K HA 0.004 4.323 4.320 -0.001 0.000 0.205 422 K C 2.597 179.204 176.600 0.011 0.000 1.049 422 K CA 0.639 56.927 56.287 0.001 0.000 0.936 422 K CB -0.091 32.421 32.500 0.019 0.000 0.722 422 K HN 0.129 nan 8.250 nan 0.000 0.446 423 R N 0.515 121.016 120.500 0.002 0.000 2.189 423 R HA -0.025 4.315 4.340 -0.001 0.000 0.223 423 R C 2.147 178.452 176.300 0.009 0.000 1.092 423 R CA 0.698 56.803 56.100 0.008 0.000 0.989 423 R CB -0.155 30.149 30.300 0.007 0.000 0.876 423 R HN 0.155 nan 8.270 nan 0.000 0.457 424 L N -0.071 121.150 121.223 -0.003 0.000 2.056 424 L HA -0.169 4.171 4.340 -0.001 0.000 0.207 424 L C 1.957 178.835 176.870 0.013 0.000 1.078 424 L CA 1.176 56.015 54.840 -0.001 0.000 0.749 424 L CB -0.201 41.844 42.059 -0.023 0.000 0.901 424 L HN 0.096 nan 8.230 nan 0.000 0.433 425 I N -0.343 120.242 120.570 0.025 0.000 2.233 425 I HA -0.211 3.958 4.170 -0.001 0.000 0.243 425 I C 1.996 178.149 176.117 0.060 0.000 1.093 425 I CA 1.273 62.610 61.300 0.062 0.000 1.380 425 I CB -0.531 37.561 38.000 0.153 0.000 1.067 425 I HN 0.160 nan 8.210 nan 0.000 0.413 426 N N 0.697 119.430 118.700 0.055 0.000 2.272 426 N HA -0.129 4.611 4.740 -0.001 0.000 0.185 426 N C 1.916 177.439 175.510 0.022 0.000 1.014 426 N CA 1.373 54.444 53.050 0.035 0.000 0.870 426 N CB -0.421 38.082 38.487 0.026 0.000 0.975 426 N HN 0.443 nan 8.380 nan 0.000 0.433 427 G N -0.392 108.424 108.800 0.025 0.000 2.408 427 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.215 427 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.215 427 G C 1.591 176.515 174.900 0.040 0.000 1.156 427 G CA 0.909 46.026 45.100 0.028 0.000 0.793 427 G HN 0.458 nan 8.290 nan 0.000 0.535 428 S N 0.557 116.281 115.700 0.040 0.000 2.406 428 S HA 0.034 4.503 4.470 -0.001 0.000 0.228 428 S C 2.281 176.906 174.600 0.040 0.000 1.020 428 S CA 0.770 59.008 58.200 0.063 0.000 0.965 428 S CB -0.295 62.927 63.200 0.037 0.000 0.798 428 S HN 0.323 nan 8.310 nan 0.000 0.488 429 I N 1.503 122.077 120.570 0.007 0.000 2.353 429 I HA -0.058 4.112 4.170 -0.001 0.000 0.248 429 I C 2.842 178.944 176.117 -0.026 0.000 1.119 429 I CA 1.367 62.654 61.300 -0.022 0.000 1.417 429 I CB -0.339 37.644 38.000 -0.028 0.000 1.078 429 I HN 0.291 nan 8.210 nan 0.000 0.421 430 E N 1.016 121.215 120.200 -0.003 0.000 2.110 430 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 430 E C 2.311 178.915 176.600 0.007 0.000 0.988 430 E CA 1.112 57.515 56.400 0.005 0.000 0.804 430 E CB 0.113 29.822 29.700 0.015 0.000 0.745 430 E HN 0.289 nan 8.360 nan 0.000 0.458 431 R N -0.592 119.920 120.500 0.021 0.000 2.090 431 R HA 0.036 4.375 4.340 -0.001 0.000 0.228 431 R C 2.248 178.466 176.300 -0.136 0.000 1.110 431 R CA 0.946 57.077 56.100 0.051 0.000 0.973 431 R CB -0.113 30.297 30.300 0.184 0.000 0.869 431 R HN 0.126 nan 8.270 nan 0.000 0.440 432 A N 1.150 123.751 122.820 -0.365 0.000 1.897 432 A HA -0.073 4.247 4.320 -0.001 0.000 0.215 432 A C 2.099 179.513 177.584 -0.282 0.000 1.181 432 A CA 0.945 52.491 52.037 -0.817 0.000 0.620 432 A CB -0.337 18.278 19.000 -0.641 0.000 0.821 432 A HN 0.135 nan 8.150 nan 0.000 0.443 433 I N -0.541 119.979 120.570 -0.083 0.000 2.226 433 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 433 I C 2.531 178.653 176.117 0.008 0.000 1.100 433 I CA 1.687 63.009 61.300 0.037 0.000 1.374 433 I CB -0.206 37.850 38.000 0.093 0.000 1.057 433 I HN 0.341 nan 8.210 nan 0.000 0.413 434 K N 0.754 121.156 120.400 0.003 0.000 2.097 434 K HA -0.233 4.087 4.320 -0.001 0.000 0.206 434 K C 2.214 178.834 176.600 0.033 0.000 1.049 434 K CA 1.603 57.902 56.287 0.020 0.000 0.933 434 K CB -0.167 32.358 32.500 0.041 0.000 0.717 434 K HN 0.174 nan 8.250 nan 0.000 0.442 435 F N 1.397 121.277 119.950 -0.117 0.000 2.186 435 F HA -0.120 4.406 4.527 -0.000 0.000 0.299 435 F C 2.100 177.856 175.800 -0.075 0.000 1.090 435 F CA 1.314 59.261 58.000 -0.089 0.000 1.307 435 F CB 0.100 39.008 39.000 -0.153 0.000 1.019 435 F HN -0.069 nan 8.300 nan 0.000 0.489 436 R N 0.270 120.758 120.500 -0.020 0.000 2.092 436 R HA -0.106 4.233 4.340 -0.001 0.000 0.231 436 R C 2.155 178.371 176.300 -0.139 0.000 1.119 436 R CA 1.518 57.570 56.100 -0.080 0.000 0.970 436 R CB -0.230 30.048 30.300 -0.037 0.000 0.864 436 R HN 0.254 nan 8.270 nan 0.000 0.440 437 K N 0.398 120.732 120.400 -0.111 0.000 2.155 437 K HA -0.118 4.202 4.320 -0.001 0.000 0.203 437 K C 1.812 178.339 176.600 -0.122 0.000 1.052 437 K CA 1.125 57.348 56.287 -0.107 0.000 0.948 437 K CB 0.106 32.565 32.500 -0.069 0.000 0.728 437 K HN 0.227 nan 8.250 nan 0.000 0.448 438 E N 0.529 120.638 120.200 -0.151 0.000 2.150 438 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 438 E C 1.865 178.362 176.600 -0.173 0.000 0.985 438 E CA 0.606 56.910 56.400 -0.161 0.000 0.814 438 E CB 0.142 29.743 29.700 -0.164 0.000 0.752 438 E HN 0.181 nan 8.360 nan 0.000 0.466 439 I N 1.255 121.695 120.570 -0.217 0.000 2.202 439 I HA -0.217 3.952 4.170 -0.001 0.000 0.242 439 I C 2.109 178.249 176.117 0.037 0.000 1.091 439 I CA 1.210 62.490 61.300 -0.032 0.000 1.368 439 I CB -0.765 37.170 38.000 -0.109 0.000 1.058 439 I HN 0.038 nan 8.210 nan 0.000 0.410 440 K N 0.531 120.900 120.400 -0.052 0.000 2.097 440 K HA -0.159 4.161 4.320 -0.001 0.000 0.206 440 K C 2.142 178.682 176.600 -0.100 0.000 1.049 440 K CA 0.903 57.152 56.287 -0.062 0.000 0.933 440 K CB -0.348 32.089 32.500 -0.106 0.000 0.717 440 K HN 0.297 nan 8.250 nan 0.000 0.442 441 R N 0.937 121.364 120.500 -0.121 0.000 2.075 441 R HA -0.021 4.318 4.340 -0.001 0.000 0.232 441 R C 2.322 178.500 176.300 -0.204 0.000 1.126 441 R CA 0.888 56.905 56.100 -0.138 0.000 0.963 441 R CB -0.136 30.093 30.300 -0.118 0.000 0.858 441 R HN 0.087 nan 8.270 nan 0.000 0.435 442 L N 0.068 121.122 121.223 -0.282 0.000 2.217 442 L HA -0.046 4.293 4.340 -0.001 0.000 0.211 442 L C 2.748 179.144 176.870 -0.790 0.000 1.107 442 L CA 0.781 55.298 54.840 -0.539 0.000 0.783 442 L CB -0.310 41.359 42.059 -0.651 0.000 0.919 442 L HN 0.217 nan 8.230 nan 0.000 0.442 443 R N -0.171 120.039 120.500 -0.484 0.000 2.081 443 R HA -0.143 4.196 4.340 -0.001 0.000 0.235 443 R C 2.071 178.260 176.300 -0.184 0.000 1.131 443 R CA 1.956 57.917 56.100 -0.232 0.000 0.960 443 R CB -0.150 30.195 30.300 0.075 0.000 0.856 443 R HN 0.252 nan 8.270 nan 0.000 0.436 444 T N 0.152 114.607 114.554 -0.165 0.000 2.904 444 T HA -0.038 4.312 4.350 -0.001 0.000 0.267 444 T C 1.293 175.906 174.700 -0.145 0.000 1.059 444 T CA 1.251 63.277 62.100 -0.123 0.000 1.137 444 T CB 0.003 68.810 68.868 -0.101 0.000 0.879 444 T HN 0.420 nan 8.240 nan 0.000 0.467 445 E N 0.937 121.016 120.200 -0.201 0.000 2.190 445 E HA 0.128 4.478 4.350 -0.001 0.000 0.191 445 E C 0.637 177.112 176.600 -0.209 0.000 0.978 445 E CA 0.005 56.294 56.400 -0.186 0.000 0.839 445 E CB 0.241 29.830 29.700 -0.184 0.000 0.787 445 E HN 0.229 nan 8.360 nan 0.000 0.473 446 S N 1.427 116.942 115.700 -0.309 0.000 2.572 446 S HA 0.006 4.476 4.470 -0.001 0.000 0.279 446 S C -0.164 174.325 174.600 -0.186 0.000 1.341 446 S CA -0.333 57.689 58.200 -0.297 0.000 1.043 446 S CB 0.709 63.619 63.200 -0.484 0.000 0.887 446 S HN 0.105 nan 8.310 nan 0.000 0.516 447 D N 0.953 121.264 120.400 -0.148 0.000 2.352 447 D HA 0.494 5.134 4.640 -0.001 0.000 0.245 447 D C 0.818 177.061 176.300 -0.095 0.000 1.224 447 D CA 1.400 55.340 54.000 -0.099 0.000 0.879 447 D CB -0.339 40.416 40.800 -0.075 0.000 1.057 447 D HN 0.683 nan 8.370 nan 0.000 0.491 448 G N 3.530 112.297 108.800 -0.055 0.000 2.578 448 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.232 448 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.232 448 G C -0.278 174.654 174.900 0.052 0.000 1.176 448 G CA -0.239 44.864 45.100 0.005 0.000 0.968 448 G HN 0.597 nan 8.290 nan 0.000 0.583 449 W N 0.450 121.761 121.300 0.019 0.000 2.184 449 W HA 0.761 5.421 4.660 -0.001 0.000 0.338 449 W C -0.705 175.882 176.519 0.114 0.000 1.257 449 W CA -0.941 56.436 57.345 0.053 0.000 1.243 449 W CB 0.335 29.841 29.460 0.077 0.000 1.122 449 W HN 0.687 nan 8.180 nan 0.000 0.585 450 F N 1.307 121.241 119.950 -0.026 0.000 2.693 450 F HA 0.434 4.961 4.527 -0.000 0.000 0.309 450 F C -0.843 174.924 175.800 -0.055 0.000 1.129 450 F CA -1.404 56.430 58.000 -0.276 0.000 0.948 450 F CB 1.298 40.173 39.000 -0.207 0.000 1.315 450 F HN 0.196 nan 8.300 nan 0.000 0.447 451 F N 2.093 121.781 119.950 -0.437 0.000 2.545 451 F HA 0.266 4.793 4.527 -0.000 0.000 0.348 451 F C 0.131 175.954 175.800 0.037 0.000 1.163 451 F CA 0.286 58.184 58.000 -0.170 0.000 1.331 451 F CB 0.259 39.055 39.000 -0.339 0.000 1.138 451 F HN 0.285 nan 8.300 nan 0.000 0.602 452 D N 0.659 121.213 120.400 0.257 0.000 2.646 452 D HA 0.437 5.077 4.640 -0.001 0.000 0.245 452 D C -1.313 175.083 176.300 0.160 0.000 1.099 452 D CA -0.409 53.701 54.000 0.183 0.000 0.849 452 D CB 1.877 42.766 40.800 0.147 0.000 1.448 452 D HN 0.184 nan 8.370 nan 0.000 0.489 453 V N 3.607 123.584 119.914 0.106 0.000 2.530 453 V HA 0.098 4.217 4.120 -0.001 0.000 0.282 453 V C 0.099 176.267 176.094 0.122 0.000 1.048 453 V CA -0.660 61.706 62.300 0.111 0.000 0.997 453 V CB 1.012 32.850 31.823 0.026 0.000 0.987 453 V HN 0.648 nan 8.190 nan 0.000 0.477 454 W N 7.308 128.621 121.300 0.020 0.000 2.160 454 W HA 0.357 5.017 4.660 -0.001 0.000 0.464 454 W C 0.459 177.006 176.519 0.047 0.000 0.914 454 W CA -0.155 57.242 57.345 0.086 0.000 1.742 454 W CB -0.335 29.187 29.460 0.103 0.000 1.780 454 W HN 0.749 nan 8.180 nan 0.000 0.307 455 Q N 4.144 123.661 119.800 -0.472 0.000 2.590 455 Q HA 0.582 4.922 4.340 -0.001 0.000 0.295 455 Q C -2.922 172.087 176.000 -1.652 0.000 0.973 455 Q CA -2.495 52.609 55.803 -1.164 0.000 0.768 455 Q CB 2.060 30.330 28.738 -0.781 0.000 1.479 455 Q HN -0.089 nan 8.270 nan 0.000 0.419 456 P HA 0.013 nan 4.420 nan 0.000 0.269 456 P C -0.281 176.512 177.300 -0.845 0.000 1.215 456 P CA -0.001 62.189 63.100 -1.516 0.000 0.780 456 P CB 0.490 31.567 31.700 -1.040 0.000 0.898 457 D N -0.523 119.536 120.400 -0.569 0.000 2.144 457 D HA -0.106 4.534 4.640 -0.001 0.000 0.200 457 D C 0.253 176.176 176.300 -0.628 0.000 0.978 457 D CA 1.607 55.291 54.000 -0.528 0.000 0.833 457 D CB -0.103 40.409 40.800 -0.480 0.000 0.961 457 D HN 0.504 nan 8.370 nan 0.000 0.470 458 H N 0.509 119.416 119.070 -0.271 0.000 2.691 458 H HA 0.280 4.835 4.556 -0.001 0.000 0.281 458 H C 0.570 175.728 175.328 -0.284 0.000 1.121 458 H CA -0.224 55.697 56.048 -0.213 0.000 1.254 458 H CB 0.401 30.093 29.762 -0.117 0.000 1.390 458 H HN 0.101 nan 8.280 nan 0.000 0.491 459 I N -0.699 119.721 120.570 -0.250 0.000 3.801 459 I HA 0.133 4.303 4.170 -0.001 0.000 0.338 459 I C 0.570 176.693 176.117 0.011 0.000 1.513 459 I CA -0.522 60.589 61.300 -0.315 0.000 1.197 459 I CB -0.096 37.527 38.000 -0.628 0.000 1.300 459 I HN 0.155 nan 8.210 nan 0.000 0.433 460 D N -0.162 120.269 120.400 0.051 0.000 2.219 460 D HA -0.121 4.519 4.640 -0.001 0.000 0.205 460 D C 1.189 177.550 176.300 0.101 0.000 0.970 460 D CA 0.862 54.901 54.000 0.065 0.000 0.851 460 D CB -0.158 40.666 40.800 0.040 0.000 0.943 460 D HN 0.370 nan 8.370 nan 0.000 0.488 461 T N -0.537 114.117 114.554 0.167 0.000 2.875 461 T HA 0.357 4.707 4.350 -0.001 0.000 0.284 461 T C -0.385 174.414 174.700 0.165 0.000 0.995 461 T CA -0.723 61.460 62.100 0.138 0.000 1.060 461 T CB 1.084 70.016 68.868 0.107 0.000 0.967 461 T HN -0.035 nan 8.240 nan 0.000 0.476 462 T N 6.076 120.647 114.554 0.028 0.000 2.863 462 T HA 0.436 4.785 4.350 -0.001 0.000 0.299 462 T C -0.140 174.423 174.700 -0.229 0.000 0.973 462 T CA -0.407 61.647 62.100 -0.077 0.000 0.994 462 T CB -0.449 68.382 68.868 -0.063 0.000 0.961 462 T HN 0.797 nan 8.240 nan 0.000 0.552 463 E N -0.051 119.871 120.200 -0.462 0.000 2.435 463 E HA 0.340 4.690 4.350 -0.001 0.000 0.277 463 E C -1.351 174.695 176.600 -0.923 0.000 1.106 463 E CA -1.141 54.926 56.400 -0.555 0.000 0.868 463 E CB 0.290 29.795 29.700 -0.324 0.000 1.454 463 E HN 0.297 nan 8.360 nan 0.000 0.452 464 C N 2.276 121.179 119.300 -0.661 0.000 2.520 464 C HA 0.224 4.684 4.460 -0.001 0.000 0.369 464 C C -0.105 174.789 174.990 -0.161 0.000 1.244 464 C CA -0.619 58.102 59.018 -0.496 0.000 1.677 464 C CB -1.592 25.949 27.740 -0.332 0.000 2.324 464 C HN 0.349 nan 8.230 nan 0.000 0.557 465 W N 5.233 126.592 121.300 0.099 0.000 2.381 465 W HA 0.199 4.859 4.660 -0.000 0.000 0.321 465 W C -2.003 174.634 176.519 0.197 0.000 1.407 465 W CA -2.112 55.298 57.345 0.109 0.000 1.274 465 W CB -0.413 29.041 29.460 -0.010 0.000 1.310 465 W HN 0.449 nan 8.180 nan 0.000 0.551 466 P HA 0.107 nan 4.420 nan 0.000 0.276 466 P C -0.428 176.943 177.300 0.118 0.000 1.230 466 P CA -0.285 62.863 63.100 0.079 0.000 0.776 466 P CB 1.106 32.850 31.700 0.074 0.000 0.888 467 L N 4.533 125.726 121.223 -0.051 0.000 2.401 467 L HA 0.225 4.565 4.340 -0.001 0.000 0.283 467 L C 1.311 178.122 176.870 -0.098 0.000 1.151 467 L CA 0.388 55.178 54.840 -0.083 0.000 0.942 467 L CB -0.541 41.293 42.059 -0.376 0.000 1.283 467 L HN 0.198 nan 8.230 nan 0.000 0.442 468 R N 0.517 121.065 120.500 0.079 0.000 2.490 468 R HA 0.202 4.541 4.340 -0.001 0.000 0.278 468 R C 1.412 177.784 176.300 0.120 0.000 1.069 468 R CA 0.206 56.354 56.100 0.080 0.000 1.080 468 R CB 0.926 31.297 30.300 0.119 0.000 1.030 468 R HN 0.670 nan 8.270 nan 0.000 0.491 469 S N 0.412 116.156 115.700 0.075 0.000 2.453 469 S HA -0.152 4.318 4.470 -0.001 0.000 0.231 469 S C 1.114 175.767 174.600 0.089 0.000 1.005 469 S CA 1.333 59.588 58.200 0.091 0.000 0.949 469 S CB -0.257 62.972 63.200 0.049 0.000 0.774 469 S HN 0.777 nan 8.310 nan 0.000 0.510 470 D N 1.743 122.191 120.400 0.081 0.000 2.224 470 D HA 0.031 4.670 4.640 -0.001 0.000 0.205 470 D C 0.594 176.933 176.300 0.065 0.000 0.965 470 D CA 0.528 54.567 54.000 0.066 0.000 0.852 470 D CB -0.534 40.304 40.800 0.064 0.000 0.947 470 D HN 0.316 nan 8.370 nan 0.000 0.494 471 S N -0.929 114.833 115.700 0.102 0.000 2.601 471 S HA 0.415 4.885 4.470 -0.001 0.000 0.271 471 S C 0.810 175.296 174.600 -0.191 0.000 1.305 471 S CA -0.121 58.126 58.200 0.078 0.000 1.022 471 S CB 1.420 64.794 63.200 0.289 0.000 0.940 471 S HN 0.476 nan 8.310 nan 0.000 0.525 472 T N -2.021 112.377 114.554 -0.260 0.000 3.275 472 T HA 0.114 4.464 4.350 -0.001 0.000 0.298 472 T C 1.224 175.665 174.700 -0.433 0.000 0.988 472 T CA -0.624 61.212 62.100 -0.439 0.000 0.936 472 T CB -0.249 68.509 68.868 -0.183 0.000 1.159 472 T HN 0.850 nan 8.240 nan 0.000 0.519 473 W N 2.724 123.787 121.300 -0.395 0.000 2.402 473 W HA -0.110 4.550 4.660 -0.001 0.000 0.286 473 W C 1.609 177.961 176.519 -0.279 0.000 1.221 473 W CA 1.141 58.317 57.345 -0.281 0.000 1.257 473 W CB -1.126 28.168 29.460 -0.277 0.000 1.120 473 W HN 0.541 nan 8.180 nan 0.000 0.551 474 H N -0.263 118.215 119.070 -0.986 0.000 2.372 474 H HA 0.196 4.752 4.556 -0.001 0.000 0.301 474 H C 2.084 177.214 175.328 -0.329 0.000 1.065 474 H CA 1.318 56.861 56.048 -0.842 0.000 1.364 474 H CB -0.986 28.076 29.762 -1.168 0.000 1.406 474 H HN 0.176 nan 8.280 nan 0.000 0.521 475 G N 0.609 109.142 108.800 -0.444 0.000 2.144 475 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.218 475 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.218 475 G C -0.332 174.412 174.900 -0.260 0.000 0.988 475 G CA -0.017 44.917 45.100 -0.278 0.000 0.659 475 G HN 0.361 nan 8.290 nan 0.000 0.522 476 F N 1.103 121.215 119.950 0.270 0.000 2.404 476 F HA 0.567 5.094 4.527 -0.000 0.000 0.339 476 F C 0.920 176.805 175.800 0.142 0.000 1.105 476 F CA -0.736 57.389 58.000 0.209 0.000 1.087 476 F CB 1.255 40.355 39.000 0.166 0.000 1.143 476 F HN -0.180 nan 8.300 nan 0.000 0.491 477 K N 2.262 122.826 120.400 0.273 0.000 2.227 477 K HA 0.232 4.551 4.320 -0.001 0.000 0.280 477 K C -0.318 176.366 176.600 0.141 0.000 1.041 477 K CA -0.525 55.857 56.287 0.158 0.000 0.905 477 K CB 0.476 33.043 32.500 0.112 0.000 1.068 477 K HN 0.668 nan 8.250 nan 0.000 0.470 478 N N 1.486 120.249 118.700 0.105 0.000 2.725 478 N HA -0.228 4.511 4.740 -0.001 0.000 0.251 478 N C -0.730 174.811 175.510 0.051 0.000 1.031 478 N CA 0.154 53.246 53.050 0.070 0.000 0.720 478 N CB -1.098 37.422 38.487 0.054 0.000 0.930 478 N HN 0.544 nan 8.380 nan 0.000 0.543 479 I N 0.338 120.943 120.570 0.059 0.000 2.519 479 I HA 0.047 4.217 4.170 -0.001 0.000 0.287 479 I C 0.376 176.459 176.117 -0.057 0.000 1.047 479 I CA -0.250 61.042 61.300 -0.014 0.000 1.381 479 I CB 0.491 38.456 38.000 -0.058 0.000 1.417 479 I HN 0.114 nan 8.210 nan 0.000 0.540 480 D N 6.523 126.857 120.400 -0.111 0.000 2.424 480 D HA 0.051 4.690 4.640 -0.001 0.000 0.244 480 D C -0.374 175.860 176.300 -0.111 0.000 1.134 480 D CA 0.164 54.074 54.000 -0.150 0.000 0.881 480 D CB 0.473 41.072 40.800 -0.334 0.000 1.191 480 D HN 0.440 nan 8.370 nan 0.000 0.445 481 N N 1.527 120.171 118.700 -0.094 0.000 2.525 481 N HA 0.005 4.745 4.740 -0.001 0.000 0.271 481 N C 0.393 175.843 175.510 -0.099 0.000 1.194 481 N CA 0.031 53.032 53.050 -0.081 0.000 0.964 481 N CB 0.666 39.131 38.487 -0.037 0.000 1.126 481 N HN 0.405 nan 8.380 nan 0.000 0.452 482 E N -0.770 119.349 120.200 -0.134 0.000 2.722 482 E HA -0.314 4.035 4.350 -0.001 0.000 0.265 482 E C -0.007 176.487 176.600 -0.177 0.000 1.081 482 E CA 0.685 57.002 56.400 -0.139 0.000 0.781 482 E CB -1.109 28.602 29.700 0.019 0.000 1.372 482 E HN 0.678 nan 8.360 nan 0.000 0.423 483 H N -0.818 118.015 119.070 -0.394 0.000 2.426 483 H HA 0.266 4.822 4.556 -0.001 0.000 0.286 483 H C 0.344 175.456 175.328 -0.359 0.000 0.990 483 H CA 0.625 56.476 56.048 -0.328 0.000 1.237 483 H CB 0.589 30.166 29.762 -0.308 0.000 1.466 483 H HN -0.052 nan 8.280 nan 0.000 0.525 484 M N 1.016 120.273 119.600 -0.572 0.000 2.456 484 M HA 0.279 4.759 4.480 -0.001 0.000 0.324 484 M C -1.524 174.430 176.300 -0.578 0.000 1.124 484 M CA -0.661 54.313 55.300 -0.543 0.000 0.959 484 M CB 1.367 33.713 32.600 -0.422 0.000 1.692 484 M HN 0.176 nan 8.290 nan 0.000 0.444 485 Y N 1.695 121.953 120.300 -0.071 0.000 2.425 485 Y HA 0.480 5.030 4.550 -0.001 0.000 0.344 485 Y C -0.240 175.723 175.900 0.105 0.000 0.969 485 Y CA -0.961 57.155 58.100 0.028 0.000 1.052 485 Y CB 1.790 40.241 38.460 -0.015 0.000 1.215 485 Y HN 0.446 nan 8.280 nan 0.000 0.451 486 L N 4.122 125.559 121.223 0.357 0.000 2.331 486 L HA 0.202 4.542 4.340 -0.001 0.000 0.278 486 L C -0.205 176.837 176.870 0.286 0.000 1.106 486 L CA 0.282 55.362 54.840 0.400 0.000 0.824 486 L CB 0.760 43.156 42.059 0.562 0.000 1.142 486 L HN 0.749 nan 8.230 nan 0.000 0.443 487 D N 6.863 127.443 120.400 0.301 0.000 2.317 487 D HA 0.181 4.821 4.640 -0.001 0.000 0.252 487 D C -1.736 174.701 176.300 0.227 0.000 1.174 487 D CA -1.583 52.573 54.000 0.260 0.000 0.866 487 D CB 2.052 43.064 40.800 0.354 0.000 1.127 487 D HN 0.343 nan 8.370 nan 0.000 0.467 488 P HA -0.123 nan 4.420 nan 0.000 0.215 488 P C 1.539 178.916 177.300 0.127 0.000 1.153 488 P CA 1.124 64.249 63.100 0.042 0.000 0.853 488 P CB -0.040 31.527 31.700 -0.220 0.000 0.788 489 I N -4.641 115.987 120.570 0.095 0.000 3.111 489 I HA 0.051 4.221 4.170 -0.001 0.000 0.272 489 I C 0.445 176.692 176.117 0.217 0.000 1.268 489 I CA 0.923 62.281 61.300 0.097 0.000 1.467 489 I CB -0.548 37.464 38.000 0.020 0.000 1.087 489 I HN -0.318 nan 8.210 nan 0.000 0.467 490 K N 3.235 123.778 120.400 0.238 0.000 2.187 490 K HA 0.337 4.657 4.320 -0.001 0.000 0.242 490 K C -0.574 176.208 176.600 0.303 0.000 1.179 490 K CA -0.280 56.163 56.287 0.261 0.000 1.097 490 K CB 0.684 33.331 32.500 0.245 0.000 1.634 490 K HN 0.124 nan 8.250 nan 0.000 0.335 491 V N 2.378 122.494 119.914 0.336 0.000 2.470 491 V HA 0.088 4.207 4.120 -0.001 0.000 0.276 491 V C 0.502 176.831 176.094 0.392 0.000 1.040 491 V CA -0.076 62.443 62.300 0.364 0.000 1.008 491 V CB 0.803 32.865 31.823 0.397 0.000 0.990 491 V HN 0.460 nan 8.190 nan 0.000 0.477 492 T N 6.887 121.662 114.554 0.369 0.000 2.833 492 T HA 0.571 4.920 4.350 -0.001 0.000 0.297 492 T C -0.273 174.607 174.700 0.300 0.000 1.015 492 T CA -0.366 61.917 62.100 0.305 0.000 0.963 492 T CB 0.807 69.827 68.868 0.253 0.000 0.955 492 T HN 0.334 nan 8.240 nan 0.000 0.449 493 L N 3.413 124.814 121.223 0.297 0.000 2.379 493 L HA 0.595 4.935 4.340 -0.001 0.000 0.269 493 L C -0.413 176.560 176.870 0.172 0.000 1.084 493 L CA -0.938 54.050 54.840 0.247 0.000 0.802 493 L CB 0.941 43.149 42.059 0.248 0.000 1.175 493 L HN 0.420 nan 8.230 nan 0.000 0.448 494 L N 1.761 123.092 121.223 0.179 0.000 2.343 494 L HA 0.369 4.709 4.340 -0.001 0.000 0.278 494 L C -0.016 176.999 176.870 0.241 0.000 0.996 494 L CA -0.619 54.301 54.840 0.133 0.000 0.831 494 L CB 1.935 43.993 42.059 -0.002 0.000 1.232 494 L HN 0.602 nan 8.230 nan 0.000 0.413 495 T N 0.545 115.260 114.554 0.268 0.000 2.869 495 T HA 0.405 4.755 4.350 -0.001 0.000 0.295 495 T C -2.463 172.328 174.700 0.151 0.000 0.987 495 T CA -1.831 60.416 62.100 0.245 0.000 1.109 495 T CB 0.770 69.764 68.868 0.210 0.000 0.932 495 T HN 0.173 nan 8.240 nan 0.000 0.518 496 P HA 0.308 nan 4.420 nan 0.000 0.264 496 P C 0.988 178.208 177.300 -0.134 0.000 1.183 496 P CA 0.518 63.612 63.100 -0.010 0.000 0.763 496 P CB 0.388 32.096 31.700 0.014 0.000 0.807 497 G N 1.405 110.085 108.800 -0.202 0.000 4.111 497 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.216 497 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.216 497 G C -0.208 174.388 174.900 -0.505 0.000 0.822 497 G CA -0.198 44.667 45.100 -0.392 0.000 0.845 497 G HN 0.414 nan 8.290 nan 0.000 0.533 498 M N 0.975 120.336 119.600 -0.398 0.000 2.619 498 M HA 0.545 5.024 4.480 -0.001 0.000 0.297 498 M C -0.864 175.372 176.300 -0.106 0.000 1.229 498 M CA -0.851 54.265 55.300 -0.306 0.000 0.860 498 M CB 2.492 34.810 32.600 -0.471 0.000 1.741 498 M HN -0.088 nan 8.290 nan 0.000 0.462 499 E N 0.815 120.947 120.200 -0.113 0.000 2.292 499 E HA 0.288 4.638 4.350 -0.001 0.000 0.258 499 E C 0.097 176.685 176.600 -0.019 0.000 1.115 499 E CA -0.204 56.172 56.400 -0.040 0.000 0.929 499 E CB 0.946 30.618 29.700 -0.047 0.000 1.161 499 E HN 0.513 nan 8.360 nan 0.000 0.453 500 K N 0.379 120.791 120.400 0.021 0.000 2.288 500 K HA -0.066 4.253 4.320 -0.001 0.000 0.201 500 K C 0.968 177.550 176.600 -0.030 0.000 1.048 500 K CA 0.801 57.110 56.287 0.037 0.000 0.956 500 K CB 0.205 32.728 32.500 0.038 0.000 0.746 500 K HN 0.305 nan 8.250 nan 0.000 0.461 501 D N -0.447 119.918 120.400 -0.058 0.000 2.234 501 D HA -0.044 4.596 4.640 -0.001 0.000 0.205 501 D C 1.279 177.502 176.300 -0.129 0.000 0.962 501 D CA 1.350 55.301 54.000 -0.081 0.000 0.855 501 D CB 0.492 41.253 40.800 -0.066 0.000 0.951 501 D HN 0.425 nan 8.370 nan 0.000 0.500 502 G N 0.667 109.363 108.800 -0.173 0.000 2.192 502 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.193 502 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.193 502 G C 0.532 175.300 174.900 -0.219 0.000 0.999 502 G CA 0.340 45.291 45.100 -0.250 0.000 0.659 502 G HN 0.431 nan 8.290 nan 0.000 0.503 503 T N -0.721 113.735 114.554 -0.163 0.000 2.927 503 T HA 0.771 5.121 4.350 -0.001 0.000 0.281 503 T C 0.735 175.358 174.700 -0.128 0.000 0.998 503 T CA -0.842 61.183 62.100 -0.125 0.000 1.019 503 T CB 1.591 70.409 68.868 -0.083 0.000 1.061 503 T HN 0.077 nan 8.240 nan 0.000 0.518 504 M N 1.901 121.444 119.600 -0.095 0.000 2.242 504 M HA 0.376 4.855 4.480 -0.001 0.000 0.344 504 M C 0.359 176.641 176.300 -0.029 0.000 1.140 504 M CA -0.213 55.040 55.300 -0.079 0.000 1.160 504 M CB 0.648 33.211 32.600 -0.061 0.000 1.491 504 M HN 0.742 nan 8.290 nan 0.000 0.459 505 S N 0.841 116.546 115.700 0.009 0.000 2.690 505 S HA 0.195 4.665 4.470 -0.001 0.000 0.291 505 S C 0.744 175.430 174.600 0.143 0.000 1.138 505 S CA -0.726 57.504 58.200 0.049 0.000 1.013 505 S CB 1.647 64.853 63.200 0.011 0.000 1.053 505 S HN 0.701 nan 8.310 nan 0.000 0.539 506 D N 0.275 120.747 120.400 0.120 0.000 2.091 506 D HA -0.011 4.629 4.640 -0.001 0.000 0.199 506 D C 0.079 176.467 176.300 0.147 0.000 0.980 506 D CA 0.883 54.977 54.000 0.155 0.000 0.831 506 D CB 0.040 40.909 40.800 0.115 0.000 0.987 506 D HN 0.367 nan 8.370 nan 0.000 0.460 507 F N 0.070 119.968 119.950 -0.088 0.000 2.404 507 F HA 0.556 5.083 4.527 -0.000 0.000 0.345 507 F C 0.271 175.804 175.800 -0.445 0.000 1.110 507 F CA 0.050 57.916 58.000 -0.224 0.000 1.130 507 F CB 1.376 40.290 39.000 -0.144 0.000 1.129 507 F HN -0.020 nan 8.300 nan 0.000 0.500 508 G N 6.560 114.461 108.800 -1.498 0.000 2.755 508 G HA2 0.559 4.519 3.960 -0.001 0.000 0.297 508 G HA3 0.559 4.519 3.960 -0.001 0.000 0.297 508 G C -2.025 172.277 174.900 -0.996 0.000 1.441 508 G CA -0.758 43.561 45.100 -1.302 0.000 0.964 508 G HN 0.671 nan 8.290 nan 0.000 0.540 509 I N 2.229 122.426 120.570 -0.622 0.000 2.410 509 I HA 0.324 4.494 4.170 -0.001 0.000 0.286 509 I C -2.364 173.681 176.117 -0.120 0.000 1.009 509 I CA -2.294 58.750 61.300 -0.426 0.000 1.111 509 I CB 2.779 40.376 38.000 -0.671 0.000 1.262 509 I HN 0.144 nan 8.210 nan 0.000 0.443 510 P HA 0.062 nan 4.420 nan 0.000 0.269 510 P C 0.406 177.634 177.300 -0.119 0.000 1.209 510 P CA -0.094 62.878 63.100 -0.213 0.000 0.776 510 P CB 1.004 32.555 31.700 -0.249 0.000 0.876 511 A N 2.299 125.041 122.820 -0.131 0.000 2.066 511 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 511 A C 2.015 179.597 177.584 -0.003 0.000 1.157 511 A CA 1.663 53.677 52.037 -0.038 0.000 0.670 511 A CB -1.427 17.559 19.000 -0.023 0.000 0.804 511 A HN 0.590 nan 8.150 nan 0.000 0.453 512 S N 0.207 115.916 115.700 0.015 0.000 2.402 512 S HA -0.104 4.366 4.470 -0.001 0.000 0.229 512 S C 1.753 176.523 174.600 0.284 0.000 1.021 512 S CA 1.365 59.660 58.200 0.159 0.000 0.974 512 S CB -0.661 62.688 63.200 0.248 0.000 0.800 512 S HN 0.508 nan 8.310 nan 0.000 0.484 513 I N 1.426 122.135 120.570 0.232 0.000 2.333 513 I HA -0.076 4.093 4.170 -0.001 0.000 0.246 513 I C 2.348 178.605 176.117 0.234 0.000 1.106 513 I CA 0.730 62.213 61.300 0.305 0.000 1.411 513 I CB -0.437 37.724 38.000 0.269 0.000 1.082 513 I HN 0.180 nan 8.210 nan 0.000 0.420 514 V N 1.221 121.155 119.914 0.033 0.000 2.407 514 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 514 V C 2.744 178.855 176.094 0.028 0.000 1.055 514 V CA 1.885 64.064 62.300 -0.202 0.000 1.049 514 V CB -1.192 30.406 31.823 -0.374 0.000 0.662 514 V HN 0.474 nan 8.190 nan 0.000 0.455 515 A N -0.225 122.629 122.820 0.057 0.000 1.933 515 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 515 A C 2.328 179.971 177.584 0.097 0.000 1.175 515 A CA 1.791 53.867 52.037 0.065 0.000 0.628 515 A CB -0.383 18.632 19.000 0.024 0.000 0.814 515 A HN 0.534 nan 8.150 nan 0.000 0.444 516 K N -2.012 118.466 120.400 0.130 0.000 2.155 516 K HA -0.075 4.244 4.320 -0.001 0.000 0.203 516 K C 1.873 178.582 176.600 0.182 0.000 1.052 516 K CA 1.269 57.623 56.287 0.112 0.000 0.948 516 K CB -0.244 32.300 32.500 0.073 0.000 0.728 516 K HN 0.631 nan 8.250 nan 0.000 0.448 517 Y N 1.533 121.930 120.300 0.161 0.000 2.200 517 Y HA -0.124 4.426 4.550 -0.001 0.000 0.290 517 Y C 1.676 177.730 175.900 0.256 0.000 1.137 517 Y CA 1.213 59.463 58.100 0.251 0.000 1.163 517 Y CB -0.091 38.613 38.460 0.406 0.000 0.988 517 Y HN -0.098 nan 8.280 nan 0.000 0.518 518 L N 0.045 121.383 121.223 0.191 0.000 2.201 518 L HA -0.180 4.159 4.340 -0.001 0.000 0.212 518 L C 2.279 179.190 176.870 0.068 0.000 1.105 518 L CA 1.468 56.372 54.840 0.107 0.000 0.775 518 L CB -0.520 41.633 42.059 0.157 0.000 0.913 518 L HN 0.306 nan 8.230 nan 0.000 0.440 519 D N 0.051 120.484 120.400 0.055 0.000 2.219 519 D HA -0.169 4.470 4.640 -0.001 0.000 0.205 519 D C 1.766 178.055 176.300 -0.018 0.000 0.970 519 D CA 0.816 54.829 54.000 0.022 0.000 0.851 519 D CB 0.346 41.155 40.800 0.015 0.000 0.943 519 D HN 0.360 nan 8.370 nan 0.000 0.488 520 E N 0.001 120.165 120.200 -0.059 0.000 2.072 520 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 520 E C 1.682 178.130 176.600 -0.255 0.000 0.985 520 E CA 0.953 57.252 56.400 -0.169 0.000 0.801 520 E CB -0.513 29.033 29.700 -0.256 0.000 0.750 520 E HN 0.580 nan 8.360 nan 0.000 0.452 521 H N -1.116 117.866 119.070 -0.147 0.000 2.548 521 H HA 0.189 4.745 4.556 -0.001 0.000 0.265 521 H C 1.293 176.588 175.328 -0.055 0.000 0.969 521 H CA 0.792 56.777 56.048 -0.106 0.000 1.155 521 H CB 0.764 30.445 29.762 -0.134 0.000 1.394 521 H HN 0.372 nan 8.280 nan 0.000 0.570 522 G N 0.278 109.103 108.800 0.042 0.000 2.231 522 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.206 522 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.206 522 G C 0.184 175.106 174.900 0.036 0.000 0.996 522 G CA -0.162 44.955 45.100 0.027 0.000 0.645 522 G HN 0.238 nan 8.290 nan 0.000 0.498 523 I N 2.267 122.869 120.570 0.054 0.000 2.452 523 I HA 0.368 4.537 4.170 -0.001 0.000 0.287 523 I C 0.518 176.681 176.117 0.078 0.000 1.079 523 I CA -0.512 60.828 61.300 0.066 0.000 1.387 523 I CB 1.387 39.435 38.000 0.081 0.000 1.404 523 I HN -0.096 nan 8.210 nan 0.000 0.522 524 V N 7.751 127.703 119.914 0.064 0.000 2.407 524 V HA 0.213 4.332 4.120 -0.001 0.000 0.278 524 V C 0.274 176.381 176.094 0.022 0.000 1.037 524 V CA -0.720 61.606 62.300 0.043 0.000 0.900 524 V CB 1.510 33.354 31.823 0.035 0.000 0.983 524 V HN 0.376 nan 8.190 nan 0.000 0.459 525 V N 4.185 124.076 119.914 -0.039 0.000 2.488 525 V HA 0.171 4.290 4.120 -0.001 0.000 0.277 525 V C 1.183 177.200 176.094 -0.127 0.000 1.046 525 V CA -0.049 62.127 62.300 -0.207 0.000 0.986 525 V CB 1.248 32.910 31.823 -0.269 0.000 0.989 525 V HN 1.009 nan 8.190 nan 0.000 0.475 526 E N 3.883 124.001 120.200 -0.136 0.000 2.015 526 E HA -0.075 4.274 4.350 -0.001 0.000 0.191 526 E C 1.068 177.691 176.600 0.038 0.000 0.991 526 E CA 1.376 57.789 56.400 0.022 0.000 0.802 526 E CB 0.176 29.915 29.700 0.065 0.000 0.759 526 E HN 0.609 nan 8.360 nan 0.000 0.447 527 K N 0.191 120.562 120.400 -0.049 0.000 2.425 527 K HA 0.209 4.529 4.320 -0.001 0.000 0.259 527 K C -1.356 175.169 176.600 -0.124 0.000 0.978 527 K CA -0.238 55.986 56.287 -0.106 0.000 0.883 527 K CB 1.414 33.815 32.500 -0.165 0.000 1.110 527 K HN 0.026 nan 8.250 nan 0.000 0.436 528 T N 2.330 116.840 114.554 -0.073 0.000 2.767 528 T HA 0.593 4.943 4.350 -0.001 0.000 0.288 528 T C 0.057 174.746 174.700 -0.018 0.000 0.963 528 T CA -0.357 61.711 62.100 -0.055 0.000 1.019 528 T CB 0.902 69.753 68.868 -0.028 0.000 0.923 528 T HN 0.724 nan 8.240 nan 0.000 0.468 529 G N 4.550 113.331 108.800 -0.032 0.000 3.075 529 G HA2 0.595 4.555 3.960 -0.001 0.000 0.253 529 G HA3 0.595 4.555 3.960 -0.001 0.000 0.253 529 G C -1.996 172.879 174.900 -0.041 0.000 1.353 529 G CA -1.247 43.843 45.100 -0.017 0.000 1.051 529 G HN 0.474 nan 8.290 nan 0.000 0.553 530 P HA 0.071 nan 4.420 nan 0.000 0.215 530 P C 0.133 177.143 177.300 -0.484 0.000 1.157 530 P CA 1.295 64.240 63.100 -0.259 0.000 0.856 530 P CB 0.111 31.714 31.700 -0.162 0.000 0.786 531 Y N -2.104 118.246 120.300 0.084 0.000 2.610 531 Y HA 0.220 4.769 4.550 -0.001 0.000 0.254 531 Y C 0.506 176.444 175.900 0.064 0.000 1.110 531 Y CA -0.799 57.360 58.100 0.100 0.000 1.238 531 Y CB 0.160 38.733 38.460 0.187 0.000 1.322 531 Y HN -0.015 nan 8.280 nan 0.000 0.547 532 N N 1.043 119.811 118.700 0.114 0.000 2.314 532 N HA 0.539 5.278 4.740 -0.001 0.000 0.304 532 N C -1.361 174.135 175.510 -0.024 0.000 1.073 532 N CA -0.460 52.596 53.050 0.011 0.000 0.822 532 N CB 2.413 40.845 38.487 -0.093 0.000 1.280 532 N HN 0.111 nan 8.380 nan 0.000 0.489 533 L N 0.979 122.191 121.223 -0.018 0.000 2.385 533 L HA 0.483 4.822 4.340 -0.001 0.000 0.273 533 L C -0.784 175.976 176.870 -0.184 0.000 0.990 533 L CA -1.044 53.722 54.840 -0.124 0.000 0.821 533 L CB 2.115 44.144 42.059 -0.049 0.000 1.279 533 L HN 0.420 nan 8.230 nan 0.000 0.412 534 L N 2.977 123.978 121.223 -0.370 0.000 2.309 534 L HA 0.639 4.979 4.340 -0.001 0.000 0.282 534 L C -1.392 175.143 176.870 -0.558 0.000 1.036 534 L CA 0.277 54.963 54.840 -0.257 0.000 0.806 534 L CB 1.091 43.082 42.059 -0.114 0.000 1.220 534 L HN 0.279 nan 8.230 nan 0.000 0.429 535 F N 5.064 125.059 119.950 0.075 0.000 2.539 535 F HA 0.501 5.028 4.527 -0.001 0.000 0.318 535 F C -0.685 175.167 175.800 0.087 0.000 1.135 535 F CA -0.627 57.396 58.000 0.038 0.000 0.915 535 F CB 1.563 40.571 39.000 0.013 0.000 1.176 535 F HN 0.166 nan 8.300 nan 0.000 0.440 536 L N 3.574 124.894 121.223 0.161 0.000 2.292 536 L HA 0.391 4.731 4.340 -0.001 0.000 0.284 536 L C -0.826 176.069 176.870 0.041 0.000 1.065 536 L CA -0.398 54.526 54.840 0.139 0.000 0.806 536 L CB 0.816 42.936 42.059 0.102 0.000 1.175 536 L HN 0.543 nan 8.230 nan 0.000 0.431 537 F N 1.805 121.766 119.950 0.018 0.000 2.387 537 F HA 0.194 4.721 4.527 -0.001 0.000 0.332 537 F C 1.097 176.873 175.800 -0.040 0.000 1.174 537 F CA -0.524 57.460 58.000 -0.026 0.000 1.257 537 F CB 0.584 39.561 39.000 -0.038 0.000 1.569 537 F HN 0.528 nan 8.300 nan 0.000 0.554 538 S N 0.854 116.586 115.700 0.052 0.000 2.633 538 S HA 0.206 4.675 4.470 -0.001 0.000 0.257 538 S C 1.656 176.271 174.600 0.026 0.000 1.265 538 S CA -0.521 57.702 58.200 0.038 0.000 0.980 538 S CB 0.504 63.738 63.200 0.057 0.000 1.017 538 S HN 0.550 nan 8.310 nan 0.000 0.577 539 I N -2.301 118.283 120.570 0.025 0.000 2.756 539 I HA 0.202 4.372 4.170 -0.001 0.000 0.262 539 I C 1.820 177.945 176.117 0.013 0.000 1.225 539 I CA 1.076 62.388 61.300 0.020 0.000 1.472 539 I CB -1.062 36.950 38.000 0.020 0.000 1.094 539 I HN 0.675 nan 8.210 nan 0.000 0.454 540 G N 1.950 110.754 108.800 0.007 0.000 2.777 540 G HA2 0.201 4.161 3.960 -0.001 0.000 0.211 540 G HA3 0.201 4.161 3.960 -0.001 0.000 0.211 540 G C 0.803 175.686 174.900 -0.028 0.000 1.149 540 G CA -0.127 44.969 45.100 -0.008 0.000 0.785 540 G HN 0.224 nan 8.290 nan 0.000 0.536 541 I N 2.916 123.460 120.570 -0.044 0.000 2.396 541 I HA 0.217 4.387 4.170 -0.001 0.000 0.289 541 I C -0.302 175.797 176.117 -0.030 0.000 1.056 541 I CA -0.889 60.352 61.300 -0.098 0.000 1.365 541 I CB 0.556 38.412 38.000 -0.240 0.000 1.407 541 I HN 0.201 nan 8.210 nan 0.000 0.509 542 D N 5.936 126.317 120.400 -0.031 0.000 2.549 542 D HA 0.284 4.924 4.640 -0.001 0.000 0.270 542 D C 0.867 177.186 176.300 0.033 0.000 1.181 542 D CA -0.762 53.244 54.000 0.010 0.000 1.070 542 D CB 0.734 41.536 40.800 0.003 0.000 1.154 542 D HN 0.471 nan 8.370 nan 0.000 0.602 543 K N -1.239 119.190 120.400 0.049 0.000 2.288 543 K HA -0.078 4.242 4.320 -0.001 0.000 0.201 543 K C 1.284 177.916 176.600 0.052 0.000 1.048 543 K CA 0.891 57.218 56.287 0.067 0.000 0.956 543 K CB -0.491 32.044 32.500 0.060 0.000 0.746 543 K HN 0.288 nan 8.250 nan 0.000 0.461 544 T N 1.849 116.420 114.554 0.027 0.000 2.737 544 T HA -0.045 4.304 4.350 -0.001 0.000 0.265 544 T C 1.520 176.223 174.700 0.006 0.000 1.038 544 T CA 1.471 63.582 62.100 0.018 0.000 1.144 544 T CB -0.025 68.848 68.868 0.008 0.000 0.866 544 T HN 0.326 nan 8.240 nan 0.000 0.434 545 K N 0.984 121.369 120.400 -0.024 0.000 2.296 545 K HA 0.241 4.560 4.320 -0.001 0.000 0.200 545 K C 2.360 178.900 176.600 -0.099 0.000 1.048 545 K CA 0.625 56.869 56.287 -0.070 0.000 0.966 545 K CB -0.037 32.395 32.500 -0.114 0.000 0.754 545 K HN 0.219 nan 8.250 nan 0.000 0.466 546 A N 0.796 123.597 122.820 -0.031 0.000 2.015 546 A HA -0.055 4.265 4.320 -0.001 0.000 0.219 546 A C 1.911 179.602 177.584 0.178 0.000 1.163 546 A CA 1.107 53.189 52.037 0.075 0.000 0.646 546 A CB -0.277 18.875 19.000 0.253 0.000 0.806 546 A HN 0.160 nan 8.150 nan 0.000 0.448 547 L N -1.421 119.872 121.223 0.117 0.000 2.298 547 L HA 0.016 4.356 4.340 -0.001 0.000 0.209 547 L C 2.607 179.525 176.870 0.080 0.000 1.084 547 L CA 0.738 55.648 54.840 0.118 0.000 0.816 547 L CB -0.164 41.945 42.059 0.084 0.000 0.967 547 L HN 0.231 nan 8.230 nan 0.000 0.460 548 S N 0.397 116.119 115.700 0.037 0.000 2.399 548 S HA -0.150 4.320 4.470 -0.001 0.000 0.231 548 S C 1.814 176.413 174.600 -0.001 0.000 1.022 548 S CA 1.226 59.434 58.200 0.014 0.000 0.983 548 S CB -0.174 63.024 63.200 -0.003 0.000 0.803 548 S HN 0.247 nan 8.310 nan 0.000 0.480 549 L N 1.120 122.333 121.223 -0.016 0.000 2.095 549 L HA 0.169 4.509 4.340 -0.001 0.000 0.204 549 L C 1.950 178.856 176.870 0.060 0.000 1.080 549 L CA 1.276 56.086 54.840 -0.051 0.000 0.759 549 L CB -0.592 41.334 42.059 -0.222 0.000 0.914 549 L HN 0.228 nan 8.230 nan 0.000 0.439 550 L N -0.412 120.933 121.223 0.203 0.000 2.131 550 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 550 L C 2.658 179.598 176.870 0.116 0.000 1.092 550 L CA 1.610 56.571 54.840 0.202 0.000 0.759 550 L CB -0.536 41.653 42.059 0.216 0.000 0.903 550 L HN 0.289 nan 8.230 nan 0.000 0.435 551 R N -0.362 120.190 120.500 0.088 0.000 2.093 551 R HA 0.066 4.406 4.340 -0.001 0.000 0.224 551 R C 2.137 178.479 176.300 0.070 0.000 1.101 551 R CA 1.383 57.527 56.100 0.073 0.000 0.979 551 R CB -0.699 29.632 30.300 0.051 0.000 0.877 551 R HN 0.376 nan 8.270 nan 0.000 0.441 552 A N 0.196 123.032 122.820 0.027 0.000 2.015 552 A HA -0.045 4.275 4.320 -0.001 0.000 0.219 552 A C 2.090 179.783 177.584 0.181 0.000 1.163 552 A CA 1.171 53.216 52.037 0.014 0.000 0.646 552 A CB -0.458 18.489 19.000 -0.089 0.000 0.806 552 A HN 0.343 nan 8.150 nan 0.000 0.448 553 L N -0.377 120.906 121.223 0.100 0.000 2.131 553 L HA -0.101 4.238 4.340 -0.001 0.000 0.206 553 L C 2.915 179.963 176.870 0.296 0.000 1.087 553 L CA 1.651 56.534 54.840 0.072 0.000 0.767 553 L CB -0.557 41.375 42.059 -0.212 0.000 0.917 553 L HN 0.597 nan 8.230 nan 0.000 0.441 554 T N -4.760 109.950 114.554 0.259 0.000 2.951 554 T HA -0.107 4.242 4.350 -0.001 0.000 0.268 554 T C 1.430 176.265 174.700 0.225 0.000 1.073 554 T CA 0.830 63.099 62.100 0.283 0.000 1.134 554 T CB -0.241 68.760 68.868 0.221 0.000 0.884 554 T HN 0.140 nan 8.240 nan 0.000 0.479 555 D N 0.255 120.791 120.400 0.227 0.000 2.269 555 D HA 0.080 4.719 4.640 -0.001 0.000 0.208 555 D C 1.396 177.836 176.300 0.233 0.000 0.963 555 D CA 0.321 54.456 54.000 0.226 0.000 0.864 555 D CB -0.347 40.592 40.800 0.231 0.000 0.936 555 D HN 0.446 nan 8.370 nan 0.000 0.505 556 F N 1.750 121.754 119.950 0.089 0.000 2.113 556 F HA -0.111 4.416 4.527 -0.001 0.000 0.297 556 F C 2.241 178.103 175.800 0.104 0.000 1.103 556 F CA 1.255 59.181 58.000 -0.123 0.000 1.248 556 F CB 0.154 39.141 39.000 -0.021 0.000 0.999 556 F HN -0.240 nan 8.300 nan 0.000 0.475 557 K N 0.425 120.960 120.400 0.225 0.000 2.057 557 K HA -0.231 4.089 4.320 -0.001 0.000 0.207 557 K C 2.486 179.130 176.600 0.075 0.000 1.049 557 K CA 1.359 57.678 56.287 0.054 0.000 0.931 557 K CB -0.296 32.081 32.500 -0.205 0.000 0.714 557 K HN 0.228 nan 8.250 nan 0.000 0.440 558 R N 0.115 120.655 120.500 0.066 0.000 2.081 558 R HA -0.109 4.231 4.340 -0.001 0.000 0.235 558 R C 1.942 178.269 176.300 0.046 0.000 1.131 558 R CA 1.539 57.672 56.100 0.056 0.000 0.960 558 R CB -0.273 30.068 30.300 0.069 0.000 0.856 558 R HN 0.259 nan 8.270 nan 0.000 0.436 559 A N -0.558 122.273 122.820 0.019 0.000 2.119 559 A HA -0.050 4.270 4.320 -0.001 0.000 0.216 559 A C 1.709 179.266 177.584 -0.044 0.000 1.152 559 A CA 0.408 52.438 52.037 -0.011 0.000 0.708 559 A CB -0.381 18.614 19.000 -0.007 0.000 0.805 559 A HN 0.508 nan 8.150 nan 0.000 0.460 560 F N 0.476 120.301 119.950 -0.209 0.000 2.220 560 F HA 0.014 4.540 4.527 -0.001 0.000 0.290 560 F C 1.520 177.336 175.800 0.026 0.000 1.080 560 F CA 1.367 59.274 58.000 -0.154 0.000 1.318 560 F CB 0.218 39.104 39.000 -0.190 0.000 1.063 560 F HN 0.185 nan 8.300 nan 0.000 0.498 561 D N 0.624 121.142 120.400 0.195 0.000 2.178 561 D HA -0.114 4.526 4.640 -0.001 0.000 0.202 561 D C 2.105 178.396 176.300 -0.015 0.000 0.974 561 D CA 1.258 55.327 54.000 0.116 0.000 0.841 561 D CB -0.235 40.654 40.800 0.148 0.000 0.953 561 D HN 0.315 nan 8.370 nan 0.000 0.478 562 L N -0.294 120.916 121.223 -0.022 0.000 2.509 562 L HA 0.047 4.387 4.340 -0.001 0.000 0.222 562 L C 0.120 176.945 176.870 -0.074 0.000 1.123 562 L CA -0.140 54.678 54.840 -0.036 0.000 0.856 562 L CB -0.337 41.716 42.059 -0.009 0.000 0.985 562 L HN 0.004 nan 8.230 nan 0.000 0.456 563 N N 1.111 119.729 118.700 -0.138 0.000 2.537 563 N HA -0.201 4.539 4.740 -0.001 0.000 0.286 563 N C -0.591 174.867 175.510 -0.087 0.000 1.245 563 N CA 0.352 53.293 53.050 -0.182 0.000 0.704 563 N CB -0.901 37.462 38.487 -0.207 0.000 0.910 563 N HN 0.182 nan 8.380 nan 0.000 0.542 564 L N 1.714 122.904 121.223 -0.054 0.000 2.468 564 L HA 0.408 4.747 4.340 -0.001 0.000 0.254 564 L C 1.502 178.375 176.870 0.006 0.000 1.171 564 L CA -0.821 54.014 54.840 -0.008 0.000 0.809 564 L CB 0.414 42.487 42.059 0.023 0.000 1.155 564 L HN 0.277 nan 8.230 nan 0.000 0.473 565 R N 0.181 120.693 120.500 0.020 0.000 2.641 565 R HA 0.063 4.402 4.340 -0.001 0.000 0.269 565 R C 0.886 177.222 176.300 0.060 0.000 1.074 565 R CA -0.197 55.925 56.100 0.036 0.000 1.133 565 R CB 0.785 31.094 30.300 0.015 0.000 1.029 565 R HN 0.415 nan 8.270 nan 0.000 0.488 566 V N 2.743 122.720 119.914 0.104 0.000 2.626 566 V HA -0.215 3.904 4.120 -0.001 0.000 0.252 566 V C 2.479 178.621 176.094 0.079 0.000 1.067 566 V CA 1.645 64.021 62.300 0.127 0.000 1.081 566 V CB -0.516 31.430 31.823 0.205 0.000 0.686 566 V HN 0.726 nan 8.190 nan 0.000 0.468 567 K N 0.306 120.706 120.400 -0.000 0.000 2.097 567 K HA -0.187 4.132 4.320 -0.001 0.000 0.206 567 K C 1.951 178.426 176.600 -0.208 0.000 1.049 567 K CA 1.679 57.783 56.287 -0.306 0.000 0.933 567 K CB -0.043 32.168 32.500 -0.481 0.000 0.717 567 K HN 0.468 nan 8.250 nan 0.000 0.442 568 N N 0.176 118.829 118.700 -0.079 0.000 2.305 568 N HA -0.080 4.660 4.740 -0.001 0.000 0.179 568 N C 1.722 177.261 175.510 0.048 0.000 1.019 568 N CA 1.006 54.041 53.050 -0.025 0.000 0.869 568 N CB -0.048 38.438 38.487 -0.003 0.000 1.000 568 N HN 0.231 nan 8.380 nan 0.000 0.431 569 M N 0.224 119.882 119.600 0.097 0.000 2.236 569 M HA 0.087 4.566 4.480 -0.001 0.000 0.266 569 M C -0.251 176.191 176.300 0.237 0.000 1.070 569 M CA 1.107 56.531 55.300 0.206 0.000 1.137 569 M CB 0.386 33.108 32.600 0.203 0.000 1.378 569 M HN -0.092 nan 8.290 nan 0.000 0.426 570 L N 1.118 122.433 121.223 0.153 0.000 2.457 570 L HA 0.300 4.639 4.340 -0.001 0.000 0.252 570 L C -1.905 175.013 176.870 0.080 0.000 1.132 570 L CA -1.401 53.514 54.840 0.125 0.000 0.938 570 L CB 0.859 42.985 42.059 0.113 0.000 1.246 570 L HN -0.008 nan 8.230 nan 0.000 0.476 571 P HA -0.060 nan 4.420 nan 0.000 0.219 571 P C 1.229 178.598 177.300 0.115 0.000 1.150 571 P CA 0.920 64.070 63.100 0.082 0.000 0.814 571 P CB 0.523 32.242 31.700 0.031 0.000 0.787 572 S N 0.028 115.759 115.700 0.051 0.000 2.387 572 S HA -0.063 4.407 4.470 -0.001 0.000 0.226 572 S C 1.837 176.440 174.600 0.004 0.000 1.026 572 S CA 0.601 58.815 58.200 0.023 0.000 0.972 572 S CB -0.997 62.197 63.200 -0.010 0.000 0.814 572 S HN 0.065 nan 8.310 nan 0.000 0.477 573 L N 0.456 121.664 121.223 -0.025 0.000 2.291 573 L HA 0.095 4.434 4.340 -0.001 0.000 0.214 573 L C 1.875 178.716 176.870 -0.048 0.000 1.120 573 L CA 1.265 56.031 54.840 -0.123 0.000 0.799 573 L CB -0.531 41.373 42.059 -0.258 0.000 0.925 573 L HN 0.335 nan 8.230 nan 0.000 0.446 574 Y N -0.005 120.265 120.300 -0.051 0.000 2.373 574 Y HA -0.129 4.420 4.550 -0.000 0.000 0.293 574 Y C 2.405 178.364 175.900 0.097 0.000 1.129 574 Y CA 1.281 59.421 58.100 0.067 0.000 1.226 574 Y CB -0.051 38.452 38.460 0.071 0.000 1.000 574 Y HN 0.120 nan 8.280 nan 0.000 0.549 575 R N 0.016 120.538 120.500 0.036 0.000 2.148 575 R HA -0.107 4.232 4.340 -0.001 0.000 0.223 575 R C 1.989 178.260 176.300 -0.048 0.000 1.088 575 R CA 1.140 57.221 56.100 -0.032 0.000 0.985 575 R CB -0.200 30.113 30.300 0.021 0.000 0.880 575 R HN 0.405 nan 8.270 nan 0.000 0.451 576 E N 0.724 120.916 120.200 -0.013 0.000 2.038 576 E HA -0.153 4.196 4.350 -0.001 0.000 0.195 576 E C 0.040 176.650 176.600 0.016 0.000 1.000 576 E CA 1.181 57.584 56.400 0.005 0.000 0.803 576 E CB -0.011 29.704 29.700 0.025 0.000 0.750 576 E HN 0.117 nan 8.360 nan 0.000 0.448 577 D N -1.656 118.784 120.400 0.066 0.000 2.365 577 D HA 0.158 4.798 4.640 -0.001 0.000 0.235 577 D C -2.261 174.051 176.300 0.020 0.000 1.368 577 D CA -1.828 52.205 54.000 0.055 0.000 1.001 577 D CB 1.569 42.420 40.800 0.086 0.000 1.364 577 D HN -0.271 nan 8.370 nan 0.000 0.577 578 P HA -0.044 nan 4.420 nan 0.000 0.219 578 P C 1.099 178.366 177.300 -0.056 0.000 1.150 578 P CA 0.641 63.470 63.100 -0.452 0.000 0.814 578 P CB 0.559 32.016 31.700 -0.406 0.000 0.787 579 E N -1.687 118.529 120.200 0.026 0.000 2.152 579 E HA -0.137 4.213 4.350 -0.001 0.000 0.192 579 E C 1.636 178.283 176.600 0.079 0.000 0.983 579 E CA 0.536 56.975 56.400 0.066 0.000 0.818 579 E CB -0.356 29.372 29.700 0.048 0.000 0.758 579 E HN 0.103 nan 8.360 nan 0.000 0.467 580 F N -0.298 119.619 119.950 -0.054 0.000 2.128 580 F HA -0.122 4.405 4.527 -0.001 0.000 0.295 580 F C 0.962 176.645 175.800 -0.196 0.000 1.100 580 F CA 1.150 59.042 58.000 -0.180 0.000 1.260 580 F CB 0.168 38.964 39.000 -0.340 0.000 1.009 580 F HN 0.030 nan 8.300 nan 0.000 0.476 581 Y N -0.261 120.273 120.300 0.391 0.000 2.683 581 Y HA 0.168 4.717 4.550 -0.001 0.000 0.297 581 Y C 1.583 177.689 175.900 0.343 0.000 1.147 581 Y CA -0.279 58.042 58.100 0.368 0.000 1.274 581 Y CB -0.509 38.196 38.460 0.409 0.000 1.143 581 Y HN 0.048 nan 8.280 nan 0.000 0.527 582 E N 0.942 121.352 120.200 0.349 0.000 2.072 582 E HA -0.116 4.234 4.350 -0.001 0.000 0.190 582 E C 1.247 177.962 176.600 0.192 0.000 0.982 582 E CA 1.522 58.105 56.400 0.305 0.000 0.803 582 E CB 0.114 29.933 29.700 0.200 0.000 0.755 582 E HN 0.255 nan 8.360 nan 0.000 0.453 583 N N -0.634 118.147 118.700 0.135 0.000 2.197 583 N HA 0.072 4.811 4.740 -0.001 0.000 0.201 583 N C -0.233 175.338 175.510 0.101 0.000 1.148 583 N CA -0.127 52.977 53.050 0.089 0.000 0.883 583 N CB 0.229 38.742 38.487 0.044 0.000 1.012 583 N HN 0.191 nan 8.380 nan 0.000 0.507 584 M N 1.513 121.211 119.600 0.163 0.000 2.239 584 M HA 0.109 4.588 4.480 -0.001 0.000 0.348 584 M C 0.111 176.517 176.300 0.176 0.000 1.239 584 M CA 0.344 55.762 55.300 0.196 0.000 1.114 584 M CB 0.577 33.387 32.600 0.350 0.000 1.641 584 M HN -0.093 nan 8.290 nan 0.000 0.453 585 R N 3.177 123.747 120.500 0.118 0.000 2.856 585 R HA 0.433 4.773 4.340 -0.001 0.000 0.258 585 R C 0.757 177.100 176.300 0.071 0.000 1.066 585 R CA -0.956 55.187 56.100 0.072 0.000 1.045 585 R CB 0.841 31.149 30.300 0.014 0.000 1.178 585 R HN 0.847 nan 8.270 nan 0.000 0.499 586 I N 1.232 121.820 120.570 0.031 0.000 2.394 586 I HA -0.206 3.964 4.170 -0.001 0.000 0.251 586 I C 1.828 177.968 176.117 0.039 0.000 1.136 586 I CA 1.720 63.062 61.300 0.070 0.000 1.425 586 I CB 0.056 38.102 38.000 0.076 0.000 1.079 586 I HN 0.537 nan 8.210 nan 0.000 0.425 587 Q N -0.480 119.210 119.800 -0.184 0.000 2.245 587 Q HA -0.182 4.158 4.340 -0.001 0.000 0.201 587 Q C 2.021 178.007 176.000 -0.023 0.000 0.955 587 Q CA 1.141 56.804 55.803 -0.234 0.000 0.870 587 Q CB -0.016 28.493 28.738 -0.382 0.000 0.945 587 Q HN 0.588 nan 8.270 nan 0.000 0.461 588 E N 0.535 120.735 120.200 -0.000 0.000 2.107 588 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 588 E C 1.882 178.508 176.600 0.043 0.000 0.982 588 E CA 0.367 56.787 56.400 0.034 0.000 0.809 588 E CB 0.176 29.904 29.700 0.047 0.000 0.756 588 E HN 0.154 nan 8.360 nan 0.000 0.459 589 L N 0.472 121.733 121.223 0.063 0.000 2.109 589 L HA 0.015 4.355 4.340 -0.001 0.000 0.207 589 L C 2.118 178.964 176.870 -0.041 0.000 1.086 589 L CA 1.844 56.695 54.840 0.019 0.000 0.760 589 L CB -0.333 41.799 42.059 0.122 0.000 0.910 589 L HN 0.107 nan 8.230 nan 0.000 0.437 590 A N -1.438 121.414 122.820 0.053 0.000 1.968 590 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 590 A C 2.182 179.748 177.584 -0.030 0.000 1.169 590 A CA 1.331 53.383 52.037 0.025 0.000 0.638 590 A CB -0.372 18.731 19.000 0.173 0.000 0.812 590 A HN 0.617 nan 8.150 nan 0.000 0.446 591 Q N -0.570 119.233 119.800 0.006 0.000 2.269 591 Q HA -0.067 4.272 4.340 -0.001 0.000 0.201 591 Q C 1.505 177.534 176.000 0.047 0.000 0.946 591 Q CA 0.844 56.665 55.803 0.029 0.000 0.877 591 Q CB -0.070 28.699 28.738 0.051 0.000 0.963 591 Q HN 0.585 nan 8.270 nan 0.000 0.472 592 N N 0.877 119.575 118.700 -0.003 0.000 2.106 592 N HA -0.077 4.663 4.740 -0.001 0.000 0.188 592 N C 1.765 177.257 175.510 -0.031 0.000 1.029 592 N CA 1.100 54.148 53.050 -0.003 0.000 0.848 592 N CB -0.065 38.403 38.487 -0.030 0.000 1.007 592 N HN 0.222 nan 8.380 nan 0.000 0.423 593 I N 0.352 120.834 120.570 -0.147 0.000 2.439 593 I HA -0.196 3.973 4.170 -0.001 0.000 0.251 593 I C 2.370 178.456 176.117 -0.052 0.000 1.139 593 I CA 0.813 62.017 61.300 -0.160 0.000 1.438 593 I CB -0.376 37.397 38.000 -0.378 0.000 1.085 593 I HN 0.284 nan 8.210 nan 0.000 0.427 594 H N 2.115 121.129 119.070 -0.094 0.000 2.389 594 H HA -0.115 4.441 4.556 -0.001 0.000 0.299 594 H C 1.782 177.128 175.328 0.031 0.000 1.081 594 H CA 1.246 57.284 56.048 -0.018 0.000 1.345 594 H CB 0.315 30.051 29.762 -0.043 0.000 1.393 594 H HN 0.120 nan 8.280 nan 0.000 0.520 595 K N 0.770 121.158 120.400 -0.020 0.000 2.288 595 K HA -0.020 4.300 4.320 -0.001 0.000 0.201 595 K C 2.464 179.057 176.600 -0.012 0.000 1.048 595 K CA 0.209 56.470 56.287 -0.043 0.000 0.956 595 K CB -0.035 32.477 32.500 0.019 0.000 0.746 595 K HN 0.370 nan 8.250 nan 0.000 0.461 596 L N 0.299 121.535 121.223 0.022 0.000 2.156 596 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 596 L C 2.185 179.173 176.870 0.196 0.000 1.095 596 L CA 0.773 55.694 54.840 0.136 0.000 0.770 596 L CB -0.282 41.849 42.059 0.120 0.000 0.914 596 L HN 0.049 nan 8.230 nan 0.000 0.439 597 I N -1.250 119.355 120.570 0.058 0.000 2.353 597 I HA -0.211 3.959 4.170 -0.001 0.000 0.248 597 I C 2.319 178.464 176.117 0.047 0.000 1.119 597 I CA 0.771 62.107 61.300 0.060 0.000 1.417 597 I CB -0.211 37.806 38.000 0.029 0.000 1.078 597 I HN -0.013 nan 8.210 nan 0.000 0.421 598 V N 0.291 120.179 119.914 -0.044 0.000 2.379 598 V HA -0.301 3.819 4.120 -0.001 0.000 0.245 598 V C 2.499 178.598 176.094 0.008 0.000 1.044 598 V CA 2.231 64.502 62.300 -0.048 0.000 1.036 598 V CB -0.924 30.828 31.823 -0.118 0.000 0.664 598 V HN 0.466 nan 8.190 nan 0.000 0.453 599 H N -0.299 118.731 119.070 -0.067 0.000 2.357 599 H HA -0.131 4.425 4.556 -0.001 0.000 0.301 599 H C 2.254 177.486 175.328 -0.159 0.000 1.082 599 H CA 1.940 57.911 56.048 -0.128 0.000 1.342 599 H CB -0.075 29.573 29.762 -0.190 0.000 1.389 599 H HN 0.474 nan 8.280 nan 0.000 0.511 600 H N -0.386 118.701 119.070 0.028 0.000 2.551 600 H HA 0.017 4.572 4.556 -0.001 0.000 0.266 600 H C 0.525 175.849 175.328 -0.006 0.000 0.977 600 H CA 0.722 56.768 56.048 -0.004 0.000 1.163 600 H CB -0.059 29.749 29.762 0.076 0.000 1.381 600 H HN 0.365 nan 8.280 nan 0.000 0.581 601 N N 0.785 119.534 118.700 0.081 0.000 2.671 601 N HA -0.196 4.543 4.740 -0.001 0.000 0.261 601 N C 0.897 176.481 175.510 0.123 0.000 1.053 601 N CA 0.191 53.279 53.050 0.065 0.000 0.732 601 N CB -1.408 37.091 38.487 0.021 0.000 0.887 601 N HN 0.390 nan 8.380 nan 0.000 0.546 602 L N 1.268 122.580 121.223 0.148 0.000 2.005 602 L HA 0.051 4.391 4.340 -0.001 0.000 0.207 602 L C -0.732 176.264 176.870 0.210 0.000 1.072 602 L CA 1.148 56.110 54.840 0.204 0.000 0.744 602 L CB -0.453 41.710 42.059 0.173 0.000 0.895 602 L HN 0.284 nan 8.230 nan 0.000 0.433 603 P HA -0.133 nan 4.420 nan 0.000 0.218 603 P C 0.666 178.017 177.300 0.084 0.000 1.149 603 P CA 1.358 64.520 63.100 0.103 0.000 0.817 603 P CB 0.053 31.779 31.700 0.043 0.000 0.785 604 D N -1.137 119.307 120.400 0.074 0.000 2.137 604 D HA -0.041 4.599 4.640 -0.001 0.000 0.202 604 D C 1.820 178.202 176.300 0.136 0.000 0.970 604 D CA 0.730 54.774 54.000 0.074 0.000 0.837 604 D CB -0.514 40.305 40.800 0.031 0.000 0.981 604 D HN -0.001 nan 8.370 nan 0.000 0.475 605 L N -0.004 121.308 121.223 0.148 0.000 2.156 605 L HA -0.026 4.314 4.340 -0.001 0.000 0.208 605 L C 2.410 179.325 176.870 0.074 0.000 1.095 605 L CA 0.546 55.488 54.840 0.170 0.000 0.770 605 L CB -0.245 41.971 42.059 0.263 0.000 0.914 605 L HN 0.186 nan 8.230 nan 0.000 0.439 606 M N -1.618 117.999 119.600 0.029 0.000 2.229 606 M HA -0.252 4.228 4.480 -0.001 0.000 0.264 606 M C 2.234 178.491 176.300 -0.071 0.000 1.063 606 M CA 1.667 56.775 55.300 -0.320 0.000 1.114 606 M CB -0.063 32.488 32.600 -0.081 0.000 1.387 606 M HN 0.216 nan 8.290 nan 0.000 0.420 607 Y N 0.536 120.800 120.300 -0.059 0.000 2.153 607 Y HA -0.137 4.413 4.550 -0.000 0.000 0.289 607 Y C 2.165 178.069 175.900 0.007 0.000 1.127 607 Y CA 1.712 59.804 58.100 -0.012 0.000 1.131 607 Y CB -0.026 38.428 38.460 -0.010 0.000 0.995 607 Y HN 0.084 nan 8.280 nan 0.000 0.505 608 R N -0.175 120.367 120.500 0.070 0.000 2.235 608 R HA -0.016 4.324 4.340 -0.001 0.000 0.213 608 R C 2.242 178.483 176.300 -0.098 0.000 1.059 608 R CA 0.679 56.771 56.100 -0.013 0.000 0.997 608 R CB -0.278 30.067 30.300 0.076 0.000 0.884 608 R HN 0.417 nan 8.270 nan 0.000 0.462 609 A N 0.039 122.771 122.820 -0.147 0.000 1.968 609 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 609 A C 1.464 178.796 177.584 -0.421 0.000 1.169 609 A CA 0.950 52.816 52.037 -0.286 0.000 0.638 609 A CB -0.156 18.585 19.000 -0.431 0.000 0.812 609 A HN 0.202 nan 8.150 nan 0.000 0.446 610 F N -0.555 119.232 119.950 -0.273 0.000 2.731 610 F HA 0.146 4.673 4.527 -0.001 0.000 0.298 610 F C 2.157 177.818 175.800 -0.232 0.000 1.106 610 F CA 0.266 58.122 58.000 -0.240 0.000 1.329 610 F CB 0.352 39.205 39.000 -0.245 0.000 1.100 610 F HN 0.102 nan 8.300 nan 0.000 0.592 611 E N 0.534 120.645 120.200 -0.147 0.000 2.047 611 E HA -0.057 4.293 4.350 -0.001 0.000 0.191 611 E C 0.694 177.230 176.600 -0.107 0.000 0.987 611 E CA 0.896 57.185 56.400 -0.185 0.000 0.799 611 E CB -0.341 29.183 29.700 -0.293 0.000 0.752 611 E HN 0.159 nan 8.360 nan 0.000 0.449 612 V N 0.422 120.271 119.914 -0.109 0.000 2.394 612 V HA 0.395 4.515 4.120 -0.001 0.000 0.282 612 V C 0.215 176.242 176.094 -0.113 0.000 1.031 612 V CA -0.748 61.500 62.300 -0.087 0.000 0.881 612 V CB 1.210 32.992 31.823 -0.069 0.000 0.982 612 V HN -0.071 nan 8.190 nan 0.000 0.451 613 L N 5.375 126.539 121.223 -0.097 0.000 2.350 613 L HA 0.512 4.852 4.340 -0.001 0.000 0.275 613 L C -2.116 174.687 176.870 -0.110 0.000 1.099 613 L CA -1.703 53.061 54.840 -0.126 0.000 0.808 613 L CB 1.317 43.305 42.059 -0.118 0.000 1.149 613 L HN 0.426 nan 8.230 nan 0.000 0.442 614 P HA 0.055 nan 4.420 nan 0.000 0.268 614 P C -0.650 176.609 177.300 -0.067 0.000 1.205 614 P CA -0.211 62.832 63.100 -0.095 0.000 0.771 614 P CB 0.376 32.012 31.700 -0.108 0.000 0.858 615 T N 3.814 118.344 114.554 -0.040 0.000 2.853 615 T HA 0.130 4.479 4.350 -0.001 0.000 0.298 615 T C 0.495 175.191 174.700 -0.005 0.000 0.978 615 T CA -0.054 62.035 62.100 -0.018 0.000 1.152 615 T CB -0.068 68.793 68.868 -0.011 0.000 0.914 615 T HN 0.367 nan 8.240 nan 0.000 0.539 616 M N 4.310 123.920 119.600 0.016 0.000 2.162 616 M HA 0.182 4.662 4.480 -0.001 0.000 0.356 616 M C 0.465 176.783 176.300 0.030 0.000 1.303 616 M CA -0.160 55.162 55.300 0.037 0.000 1.116 616 M CB 0.521 33.171 32.600 0.084 0.000 1.632 616 M HN 0.493 nan 8.290 nan 0.000 0.469 617 V N 5.310 125.241 119.914 0.029 0.000 2.521 617 V HA 0.120 4.240 4.120 -0.001 0.000 0.239 617 V C 0.640 176.753 176.094 0.032 0.000 1.053 617 V CA 0.920 63.234 62.300 0.025 0.000 1.073 617 V CB 0.051 31.886 31.823 0.019 0.000 0.746 617 V HN 0.917 nan 8.190 nan 0.000 0.476 618 M N -0.446 119.180 119.600 0.044 0.000 2.619 618 M HA 0.606 5.085 4.480 -0.001 0.000 0.297 618 M C -0.202 176.144 176.300 0.077 0.000 1.229 618 M CA -0.608 54.725 55.300 0.055 0.000 0.860 618 M CB 1.793 34.425 32.600 0.052 0.000 1.741 618 M HN 0.123 nan 8.290 nan 0.000 0.462 619 T N -1.500 113.107 114.554 0.089 0.000 2.932 619 T HA 0.225 4.574 4.350 -0.001 0.000 0.312 619 T C -2.138 172.649 174.700 0.145 0.000 1.071 619 T CA -0.895 61.272 62.100 0.111 0.000 1.128 619 T CB -0.103 68.834 68.868 0.116 0.000 0.984 619 T HN 0.554 nan 8.240 nan 0.000 0.549 620 P HA -0.089 nan 4.420 nan 0.000 0.218 620 P C 0.988 178.411 177.300 0.204 0.000 1.146 620 P CA 0.832 64.025 63.100 0.155 0.000 0.813 620 P CB -0.151 31.629 31.700 0.134 0.000 0.778 621 Y N 0.641 121.002 120.300 0.101 0.000 2.133 621 Y HA -0.151 4.399 4.550 -0.001 0.000 0.287 621 Y C 2.433 178.424 175.900 0.153 0.000 1.134 621 Y CA 1.880 60.060 58.100 0.132 0.000 1.133 621 Y CB -0.785 37.727 38.460 0.086 0.000 0.987 621 Y HN -0.109 nan 8.280 nan 0.000 0.502 622 A N 0.286 123.239 122.820 0.222 0.000 1.972 622 A HA -0.095 4.224 4.320 -0.001 0.000 0.219 622 A C 2.306 179.922 177.584 0.053 0.000 1.169 622 A CA 1.581 53.684 52.037 0.110 0.000 0.635 622 A CB -1.348 17.730 19.000 0.130 0.000 0.810 622 A HN 0.608 nan 8.150 nan 0.000 0.446 623 A N -1.241 121.634 122.820 0.092 0.000 1.898 623 A HA -0.030 4.289 4.320 -0.001 0.000 0.216 623 A C 2.059 179.706 177.584 0.104 0.000 1.181 623 A CA 1.445 53.535 52.037 0.089 0.000 0.620 623 A CB -0.651 18.413 19.000 0.108 0.000 0.819 623 A HN 0.677 nan 8.150 nan 0.000 0.442 624 F N 0.101 120.030 119.950 -0.035 0.000 2.259 624 F HA -0.126 4.400 4.527 -0.001 0.000 0.298 624 F C 2.461 178.212 175.800 -0.082 0.000 1.088 624 F CA 1.408 59.377 58.000 -0.051 0.000 1.358 624 F CB 0.061 39.026 39.000 -0.060 0.000 1.040 624 F HN 0.163 nan 8.300 nan 0.000 0.505 625 Q N 0.685 120.370 119.800 -0.192 0.000 2.124 625 Q HA -0.160 4.179 4.340 -0.001 0.000 0.202 625 Q C 2.079 178.041 176.000 -0.062 0.000 0.977 625 Q CA 1.115 56.789 55.803 -0.214 0.000 0.850 625 Q CB -0.353 28.282 28.738 -0.171 0.000 0.901 625 Q HN 0.384 nan 8.270 nan 0.000 0.429 626 K N 0.713 121.076 120.400 -0.062 0.000 2.217 626 K HA -0.110 4.210 4.320 -0.001 0.000 0.202 626 K C 1.825 178.399 176.600 -0.044 0.000 1.051 626 K CA 0.560 56.825 56.287 -0.037 0.000 0.952 626 K CB 0.040 32.516 32.500 -0.040 0.000 0.736 626 K HN 0.352 nan 8.250 nan 0.000 0.453 627 E N 0.831 120.957 120.200 -0.124 0.000 2.208 627 E HA -0.070 4.279 4.350 -0.001 0.000 0.193 627 E C 1.948 178.405 176.600 -0.237 0.000 0.988 627 E CA 0.331 56.641 56.400 -0.150 0.000 0.828 627 E CB 0.121 29.745 29.700 -0.127 0.000 0.763 627 E HN 0.169 nan 8.360 nan 0.000 0.478 628 L N -0.251 120.745 121.223 -0.377 0.000 2.156 628 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 628 L C 2.003 178.721 176.870 -0.254 0.000 1.095 628 L CA 1.037 55.647 54.840 -0.383 0.000 0.770 628 L CB -0.261 41.500 42.059 -0.496 0.000 0.914 628 L HN 0.203 nan 8.230 nan 0.000 0.439 629 H N -0.440 118.526 119.070 -0.173 0.000 2.524 629 H HA 0.046 4.602 4.556 -0.001 0.000 0.282 629 H C 1.571 176.846 175.328 -0.088 0.000 1.016 629 H CA 0.909 56.890 56.048 -0.111 0.000 1.270 629 H CB 0.117 29.825 29.762 -0.091 0.000 1.394 629 H HN 0.388 nan 8.280 nan 0.000 0.568 630 G N -0.087 108.716 108.800 0.006 0.000 2.134 630 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.209 630 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.209 630 G C 0.406 175.304 174.900 -0.004 0.000 0.993 630 G CA 0.033 45.123 45.100 -0.015 0.000 0.669 630 G HN 0.273 nan 8.290 nan 0.000 0.519 631 M N 2.678 122.280 119.600 0.003 0.000 3.654 631 M HA 0.294 4.774 4.480 -0.001 0.000 0.212 631 M C 0.459 176.754 176.300 -0.007 0.000 1.354 631 M CA 0.655 55.952 55.300 -0.005 0.000 1.564 631 M CB -0.020 32.572 32.600 -0.014 0.000 1.056 631 M HN 0.394 nan 8.290 nan 0.000 0.608 632 T N -1.553 112.997 114.554 -0.007 0.000 2.912 632 T HA 0.711 5.061 4.350 -0.001 0.000 0.299 632 T C -0.789 173.908 174.700 -0.006 0.000 1.052 632 T CA -0.997 61.103 62.100 -0.000 0.000 0.996 632 T CB 2.326 71.198 68.868 0.007 0.000 1.070 632 T HN 0.530 nan 8.240 nan 0.000 0.465 633 E N 1.112 121.311 120.200 -0.001 0.000 2.367 633 E HA 0.542 4.892 4.350 -0.001 0.000 0.273 633 E C -1.345 175.249 176.600 -0.009 0.000 0.903 633 E CA -1.137 55.256 56.400 -0.012 0.000 0.764 633 E CB 2.050 31.744 29.700 -0.009 0.000 1.252 633 E HN 0.628 nan 8.360 nan 0.000 0.446 634 E N 1.327 121.506 120.200 -0.036 0.000 2.146 634 E HA 0.348 4.698 4.350 -0.001 0.000 0.282 634 E C -0.369 176.190 176.600 -0.068 0.000 0.989 634 E CA -0.766 55.605 56.400 -0.049 0.000 0.799 634 E CB 1.914 31.552 29.700 -0.104 0.000 1.088 634 E HN 0.444 nan 8.360 nan 0.000 0.397 635 V N 0.545 120.435 119.914 -0.040 0.000 3.046 635 V HA 0.474 4.594 4.120 -0.001 0.000 0.316 635 V C -0.553 175.515 176.094 -0.044 0.000 1.104 635 V CA -1.038 61.248 62.300 -0.022 0.000 1.006 635 V CB 0.736 32.591 31.823 0.054 0.000 1.058 635 V HN 0.495 nan 8.190 nan 0.000 0.440 636 Y N 0.817 121.140 120.300 0.039 0.000 2.457 636 Y HA 0.271 4.821 4.550 -0.001 0.000 0.341 636 Y C 1.251 177.181 175.900 0.050 0.000 1.240 636 Y CA 0.457 58.585 58.100 0.047 0.000 1.437 636 Y CB 0.761 39.242 38.460 0.034 0.000 1.328 636 Y HN 0.663 nan 8.280 nan 0.000 0.588 637 L N 1.267 122.627 121.223 0.229 0.000 2.131 637 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 637 L C 1.422 178.358 176.870 0.111 0.000 1.092 637 L CA 1.805 56.729 54.840 0.140 0.000 0.759 637 L CB -0.425 41.711 42.059 0.128 0.000 0.903 637 L HN 0.661 nan 8.230 nan 0.000 0.435 638 D N -0.286 120.191 120.400 0.127 0.000 2.269 638 D HA -0.105 4.535 4.640 -0.001 0.000 0.208 638 D C 0.893 177.232 176.300 0.064 0.000 0.963 638 D CA 0.901 54.945 54.000 0.073 0.000 0.864 638 D CB 0.063 40.889 40.800 0.043 0.000 0.936 638 D HN 0.523 nan 8.370 nan 0.000 0.505 639 E N 0.064 120.320 120.200 0.093 0.000 2.815 639 E HA 0.150 4.499 4.350 -0.001 0.000 0.211 639 E C 0.893 177.533 176.600 0.066 0.000 1.004 639 E CA -0.095 56.349 56.400 0.074 0.000 1.173 639 E CB 0.267 30.019 29.700 0.088 0.000 1.163 639 E HN 0.294 nan 8.360 nan 0.000 0.449 640 M N -1.854 117.779 119.600 0.056 0.000 2.475 640 M HA 0.273 4.753 4.480 -0.001 0.000 0.283 640 M C -0.356 175.959 176.300 0.026 0.000 1.165 640 M CA -0.154 55.172 55.300 0.042 0.000 0.976 640 M CB 0.523 33.149 32.600 0.043 0.000 1.428 640 M HN -0.262 nan 8.290 nan 0.000 0.495 641 V N 2.864 122.792 119.914 0.024 0.000 2.446 641 V HA 0.436 4.556 4.120 -0.001 0.000 0.276 641 V C 1.283 177.384 176.094 0.013 0.000 1.030 641 V CA 0.820 63.128 62.300 0.014 0.000 1.033 641 V CB -0.103 31.728 31.823 0.013 0.000 0.993 641 V HN 0.859 nan 8.190 nan 0.000 0.477 642 G N 4.135 112.940 108.800 0.008 0.000 2.171 642 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.238 642 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.238 642 G C -0.026 174.880 174.900 0.010 0.000 1.039 642 G CA -0.433 44.672 45.100 0.008 0.000 0.759 642 G HN 0.533 nan 8.290 nan 0.000 0.501 643 R N -0.546 119.961 120.500 0.012 0.000 2.589 643 R HA 0.740 5.080 4.340 -0.001 0.000 0.293 643 R C 0.432 176.740 176.300 0.013 0.000 0.963 643 R CA -1.636 54.473 56.100 0.015 0.000 0.905 643 R CB 0.847 31.161 30.300 0.022 0.000 1.144 643 R HN 0.269 nan 8.270 nan 0.000 0.459 644 I N 2.626 123.205 120.570 0.015 0.000 2.304 644 I HA 0.241 4.410 4.170 -0.001 0.000 0.291 644 I C 0.442 176.573 176.117 0.024 0.000 1.018 644 I CA -0.471 60.839 61.300 0.017 0.000 1.260 644 I CB 0.727 38.738 38.000 0.018 0.000 1.390 644 I HN 0.211 nan 8.210 nan 0.000 0.475 645 N N 4.177 122.892 118.700 0.024 0.000 2.508 645 N HA 0.206 4.946 4.740 -0.001 0.000 0.264 645 N C 0.560 176.099 175.510 0.048 0.000 1.216 645 N CA 0.083 53.152 53.050 0.031 0.000 0.943 645 N CB 1.928 40.425 38.487 0.018 0.000 1.113 645 N HN 0.780 nan 8.380 nan 0.000 0.447 646 A N 2.164 125.022 122.820 0.062 0.000 2.070 646 A HA 0.150 4.470 4.320 -0.001 0.000 0.202 646 A C 0.439 178.087 177.584 0.107 0.000 1.277 646 A CA 0.317 52.407 52.037 0.087 0.000 0.872 646 A CB 0.268 19.320 19.000 0.087 0.000 0.933 646 A HN 0.553 nan 8.150 nan 0.000 0.475 647 N N -0.200 118.552 118.700 0.087 0.000 2.417 647 N HA 0.361 5.101 4.740 -0.001 0.000 0.300 647 N C -0.803 174.730 175.510 0.038 0.000 1.102 647 N CA -0.351 52.745 53.050 0.077 0.000 0.886 647 N CB 1.244 39.779 38.487 0.079 0.000 1.203 647 N HN 0.343 nan 8.380 nan 0.000 0.496 648 M N 1.862 121.475 119.600 0.022 0.000 2.219 648 M HA 0.259 4.738 4.480 -0.001 0.000 0.353 648 M C -0.598 175.702 176.300 0.000 0.000 1.304 648 M CA -0.012 55.283 55.300 -0.007 0.000 1.115 648 M CB 0.260 32.834 32.600 -0.042 0.000 1.664 648 M HN 0.392 nan 8.290 nan 0.000 0.459 649 I N 6.042 126.606 120.570 -0.010 0.000 2.304 649 I HA 0.204 4.374 4.170 -0.001 0.000 0.291 649 I C -0.910 175.217 176.117 0.017 0.000 1.018 649 I CA -0.523 60.778 61.300 0.003 0.000 1.260 649 I CB 1.106 39.097 38.000 -0.016 0.000 1.390 649 I HN 0.525 nan 8.210 nan 0.000 0.475 650 L N 10.632 131.892 121.223 0.061 0.000 2.366 650 L HA 0.587 4.926 4.340 -0.001 0.000 0.266 650 L C -2.574 174.355 176.870 0.099 0.000 1.010 650 L CA -1.585 53.282 54.840 0.045 0.000 0.879 650 L CB 1.096 43.161 42.059 0.011 0.000 1.228 650 L HN 0.245 nan 8.230 nan 0.000 0.439 651 P HA 0.306 nan 4.420 nan 0.000 0.294 651 P C -1.706 175.596 177.300 0.003 0.000 1.294 651 P CA -0.277 62.889 63.100 0.110 0.000 0.827 651 P CB 0.844 32.668 31.700 0.208 0.000 0.992 652 Y N 3.500 123.860 120.300 0.100 0.000 2.328 652 Y HA 0.380 4.930 4.550 -0.001 0.000 0.337 652 Y C -1.546 174.388 175.900 0.056 0.000 0.966 652 Y CA -1.898 56.246 58.100 0.075 0.000 1.136 652 Y CB 1.239 39.734 38.460 0.060 0.000 1.170 652 Y HN 0.321 nan 8.280 nan 0.000 0.470 653 P HA 0.286 nan 4.420 nan 0.000 0.278 653 P C -2.491 174.909 177.300 0.167 0.000 1.266 653 P CA -1.978 61.200 63.100 0.131 0.000 0.807 653 P CB 1.596 33.359 31.700 0.105 0.000 1.094 654 P HA 0.115 nan 4.420 nan 0.000 0.245 654 P C 0.679 177.789 177.300 -0.317 0.000 1.203 654 P CA 0.807 63.804 63.100 -0.171 0.000 0.792 654 P CB -0.015 31.512 31.700 -0.289 0.000 0.997 655 G N -0.321 108.172 108.800 -0.511 0.000 2.167 655 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.194 655 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.194 655 G C -0.139 174.465 174.900 -0.493 0.000 1.027 655 G CA -0.094 44.423 45.100 -0.973 0.000 0.717 655 G HN 0.453 nan 8.290 nan 0.000 0.501 656 V N -3.276 116.467 119.914 -0.286 0.000 2.823 656 V HA 0.892 5.012 4.120 -0.001 0.000 0.312 656 V C -2.384 173.740 176.094 0.050 0.000 1.072 656 V CA -3.203 59.023 62.300 -0.124 0.000 0.937 656 V CB 2.051 33.768 31.823 -0.176 0.000 1.013 656 V HN 0.015 nan 8.190 nan 0.000 0.430 657 P HA 0.100 nan 4.420 nan 0.000 0.258 657 P C 0.090 177.467 177.300 0.128 0.000 1.187 657 P CA 0.336 63.467 63.100 0.052 0.000 0.767 657 P CB 0.748 32.454 31.700 0.011 0.000 0.770 658 L N 5.533 126.773 121.223 0.028 0.000 2.349 658 L HA 0.206 4.545 4.340 -0.001 0.000 0.200 658 L C 0.062 176.798 176.870 -0.223 0.000 1.064 658 L CA 1.397 56.111 54.840 -0.209 0.000 0.821 658 L CB 0.478 42.333 42.059 -0.340 0.000 1.027 658 L HN 0.032 nan 8.230 nan 0.000 0.476 659 V N 1.914 121.742 119.914 -0.142 0.000 2.531 659 V HA 0.430 4.550 4.120 -0.001 0.000 0.301 659 V C -0.097 175.938 176.094 -0.097 0.000 1.034 659 V CA -0.690 61.532 62.300 -0.129 0.000 0.865 659 V CB 1.651 33.419 31.823 -0.092 0.000 0.995 659 V HN 0.082 nan 8.190 nan 0.000 0.424 660 M N 4.956 124.487 119.600 -0.114 0.000 2.409 660 M HA 0.479 4.959 4.480 -0.001 0.000 0.329 660 M C -2.644 173.650 176.300 -0.009 0.000 1.180 660 M CA -2.707 52.557 55.300 -0.060 0.000 1.053 660 M CB 1.159 33.719 32.600 -0.066 0.000 1.586 660 M HN 0.242 nan 8.290 nan 0.000 0.461 661 P HA 0.223 nan 4.420 nan 0.000 0.265 661 P C 0.615 177.955 177.300 0.067 0.000 1.222 661 P CA 0.772 63.904 63.100 0.055 0.000 0.767 661 P CB 0.260 32.009 31.700 0.081 0.000 0.801 662 G N 2.101 110.933 108.800 0.053 0.000 2.184 662 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.206 662 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.206 662 G C -0.074 174.848 174.900 0.037 0.000 0.995 662 G CA -0.472 44.661 45.100 0.054 0.000 0.651 662 G HN 0.503 nan 8.290 nan 0.000 0.511 663 E N -0.052 120.158 120.200 0.016 0.000 2.248 663 E HA 0.681 5.030 4.350 -0.001 0.000 0.272 663 E C -0.067 176.526 176.600 -0.011 0.000 1.008 663 E CA -0.622 55.774 56.400 -0.007 0.000 0.856 663 E CB 1.602 31.274 29.700 -0.048 0.000 1.120 663 E HN 0.281 nan 8.360 nan 0.000 0.397 664 M N 3.042 122.632 119.600 -0.016 0.000 2.311 664 M HA 0.391 4.871 4.480 -0.001 0.000 0.325 664 M C -1.356 174.930 176.300 -0.024 0.000 1.061 664 M CA -0.628 54.665 55.300 -0.013 0.000 0.957 664 M CB 1.061 33.659 32.600 -0.004 0.000 1.646 664 M HN 0.497 nan 8.290 nan 0.000 0.434 665 I N 5.037 125.594 120.570 -0.021 0.000 2.363 665 I HA 0.178 4.347 4.170 -0.001 0.000 0.292 665 I C 0.536 176.644 176.117 -0.015 0.000 1.075 665 I CA 0.011 61.296 61.300 -0.025 0.000 1.333 665 I CB 0.798 38.785 38.000 -0.022 0.000 1.415 665 I HN 0.768 nan 8.210 nan 0.000 0.502 666 T N 1.587 116.130 114.554 -0.019 0.000 2.735 666 T HA 0.344 4.693 4.350 -0.001 0.000 0.262 666 T C 0.918 175.611 174.700 -0.011 0.000 0.955 666 T CA -0.684 61.409 62.100 -0.012 0.000 1.022 666 T CB 1.170 70.031 68.868 -0.011 0.000 1.455 666 T HN 0.364 nan 8.240 nan 0.000 0.583 667 E N 0.728 120.924 120.200 -0.008 0.000 2.158 667 E HA -0.071 4.279 4.350 -0.001 0.000 0.191 667 E C 2.024 178.619 176.600 -0.009 0.000 0.982 667 E CA 1.265 57.662 56.400 -0.006 0.000 0.823 667 E CB -0.232 29.467 29.700 -0.002 0.000 0.766 667 E HN 0.932 nan 8.360 nan 0.000 0.468 668 E N 0.849 121.041 120.200 -0.013 0.000 2.285 668 E HA -0.054 4.296 4.350 -0.001 0.000 0.194 668 E C 0.850 177.433 176.600 -0.028 0.000 0.997 668 E CA 0.913 57.303 56.400 -0.017 0.000 0.845 668 E CB 0.010 29.700 29.700 -0.016 0.000 0.782 668 E HN 0.045 nan 8.360 nan 0.000 0.491 669 S N 0.010 115.690 115.700 -0.033 0.000 2.457 669 S HA 0.349 4.819 4.470 -0.001 0.000 0.237 669 S C 0.861 175.436 174.600 -0.042 0.000 1.213 669 S CA -0.799 57.371 58.200 -0.051 0.000 1.218 669 S CB 0.804 63.965 63.200 -0.065 0.000 0.922 669 S HN 0.177 nan 8.310 nan 0.000 0.488 670 R N 1.766 122.250 120.500 -0.026 0.000 2.100 670 R HA 0.177 4.517 4.340 -0.001 0.000 0.220 670 R C -1.224 175.073 176.300 -0.006 0.000 1.091 670 R CA 0.395 56.488 56.100 -0.012 0.000 0.986 670 R CB -0.991 29.307 30.300 -0.002 0.000 0.888 670 R HN 0.346 nan 8.270 nan 0.000 0.444 671 P HA -0.106 nan 4.420 nan 0.000 0.223 671 P C 0.995 178.295 177.300 0.001 0.000 1.144 671 P CA 0.835 63.938 63.100 0.005 0.000 0.783 671 P CB 0.115 31.809 31.700 -0.011 0.000 0.771 672 V N -0.492 119.393 119.914 -0.048 0.000 2.307 672 V HA -0.206 3.914 4.120 -0.001 0.000 0.245 672 V C 2.267 178.369 176.094 0.014 0.000 1.045 672 V CA 1.581 63.837 62.300 -0.075 0.000 1.024 672 V CB -1.130 30.614 31.823 -0.132 0.000 0.651 672 V HN 0.085 nan 8.190 nan 0.000 0.449 673 L N 0.112 121.339 121.223 0.007 0.000 2.156 673 L HA -0.050 4.290 4.340 -0.001 0.000 0.208 673 L C 2.318 179.209 176.870 0.034 0.000 1.095 673 L CA 1.694 56.544 54.840 0.016 0.000 0.770 673 L CB -0.756 41.308 42.059 0.009 0.000 0.914 673 L HN 0.367 nan 8.230 nan 0.000 0.439 674 E N -1.315 118.917 120.200 0.054 0.000 2.204 674 E HA -0.263 4.087 4.350 -0.001 0.000 0.195 674 E C 1.983 178.647 176.600 0.106 0.000 0.990 674 E CA 1.358 57.799 56.400 0.068 0.000 0.821 674 E CB -0.242 29.500 29.700 0.070 0.000 0.750 674 E HN 0.586 nan 8.360 nan 0.000 0.477 675 F N 0.889 120.825 119.950 -0.024 0.000 2.206 675 F HA -0.080 4.446 4.527 -0.001 0.000 0.298 675 F C 1.845 177.626 175.800 -0.032 0.000 1.090 675 F CA 0.842 58.833 58.000 -0.016 0.000 1.323 675 F CB 0.157 39.142 39.000 -0.024 0.000 1.028 675 F HN -0.102 nan 8.300 nan 0.000 0.492 676 L N 0.011 121.144 121.223 -0.150 0.000 2.109 676 L HA -0.161 4.179 4.340 -0.001 0.000 0.207 676 L C 2.415 179.148 176.870 -0.229 0.000 1.086 676 L CA 1.180 55.865 54.840 -0.258 0.000 0.760 676 L CB -0.749 41.243 42.059 -0.113 0.000 0.910 676 L HN 0.155 nan 8.230 nan 0.000 0.437 677 Q N -0.706 119.024 119.800 -0.116 0.000 2.167 677 Q HA -0.211 4.129 4.340 -0.001 0.000 0.202 677 Q C 2.271 178.214 176.000 -0.094 0.000 0.970 677 Q CA 1.294 57.054 55.803 -0.072 0.000 0.855 677 Q CB -0.138 28.595 28.738 -0.010 0.000 0.911 677 Q HN 0.427 nan 8.270 nan 0.000 0.438 678 M N 0.452 119.984 119.600 -0.114 0.000 2.229 678 M HA -0.115 4.365 4.480 -0.001 0.000 0.264 678 M C 1.658 177.809 176.300 -0.250 0.000 1.063 678 M CA 1.381 56.611 55.300 -0.117 0.000 1.114 678 M CB -0.104 32.472 32.600 -0.040 0.000 1.387 678 M HN 0.278 nan 8.290 nan 0.000 0.420 679 L N -0.528 120.493 121.223 -0.337 0.000 2.141 679 L HA -0.229 4.111 4.340 -0.001 0.000 0.209 679 L C 2.501 179.203 176.870 -0.280 0.000 1.094 679 L CA 0.780 55.409 54.840 -0.352 0.000 0.763 679 L CB -0.632 41.145 42.059 -0.470 0.000 0.908 679 L HN 0.380 nan 8.230 nan 0.000 0.437 680 C N -0.281 118.864 119.300 -0.259 0.000 2.435 680 C HA -0.105 4.355 4.460 -0.001 0.000 0.279 680 C C 2.582 177.518 174.990 -0.090 0.000 1.321 680 C CA 0.495 59.416 59.018 -0.161 0.000 1.752 680 C CB -0.681 27.024 27.740 -0.059 0.000 1.959 680 C HN 0.517 nan 8.230 nan 0.000 0.500 681 E N 0.440 120.563 120.200 -0.128 0.000 2.051 681 E HA -0.075 4.275 4.350 -0.001 0.000 0.189 681 E C 1.995 178.481 176.600 -0.190 0.000 0.979 681 E CA 0.760 57.081 56.400 -0.131 0.000 0.803 681 E CB -0.162 29.518 29.700 -0.034 0.000 0.761 681 E HN 0.626 nan 8.360 nan 0.000 0.451 682 I N 0.612 121.026 120.570 -0.259 0.000 2.493 682 I HA -0.089 4.081 4.170 -0.001 0.000 0.254 682 I C 1.738 177.899 176.117 0.073 0.000 1.160 682 I CA 0.860 62.101 61.300 -0.098 0.000 1.445 682 I CB 0.176 38.033 38.000 -0.238 0.000 1.086 682 I HN 0.050 nan 8.210 nan 0.000 0.433 683 G N -0.521 108.271 108.800 -0.013 0.000 3.314 683 G HA2 0.285 4.244 3.960 -0.001 0.000 0.238 683 G HA3 0.285 4.244 3.960 -0.001 0.000 0.238 683 G C 0.972 175.891 174.900 0.030 0.000 1.184 683 G CA 0.446 45.574 45.100 0.047 0.000 0.806 683 G HN 0.449 nan 8.290 nan 0.000 0.536 684 A N -0.583 122.194 122.820 -0.072 0.000 2.431 684 A HA 0.393 4.713 4.320 -0.001 0.000 0.239 684 A C 1.412 178.857 177.584 -0.232 0.000 1.230 684 A CA 0.135 52.084 52.037 -0.147 0.000 0.928 684 A CB 0.041 18.928 19.000 -0.189 0.000 1.006 684 A HN 0.388 nan 8.150 nan 0.000 0.520 685 H N -1.875 117.168 119.070 -0.045 0.000 2.344 685 H HA 0.203 4.759 4.556 -0.000 0.000 0.307 685 H C -0.407 174.672 175.328 -0.415 0.000 1.057 685 H CA 1.431 57.352 56.048 -0.211 0.000 1.373 685 H CB 0.076 29.723 29.762 -0.192 0.000 1.421 685 H HN 0.485 nan 8.280 nan 0.000 0.532 686 Y N 0.311 120.703 120.300 0.154 0.000 2.364 686 Y HA 0.331 4.881 4.550 -0.001 0.000 0.340 686 Y C -2.326 173.620 175.900 0.078 0.000 0.975 686 Y CA -3.239 54.899 58.100 0.064 0.000 1.089 686 Y CB 1.326 39.982 38.460 0.328 0.000 1.192 686 Y HN -0.008 nan 8.280 nan 0.000 0.454 687 P HA 0.215 nan 4.420 nan 0.000 0.271 687 P C 0.799 178.165 177.300 0.109 0.000 1.216 687 P CA 0.962 64.081 63.100 0.032 0.000 0.776 687 P CB 1.015 32.667 31.700 -0.080 0.000 0.881 688 G N 1.537 110.311 108.800 -0.043 0.000 2.358 688 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.224 688 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.224 688 G C 0.161 174.829 174.900 -0.387 0.000 1.073 688 G CA -0.390 44.544 45.100 -0.277 0.000 0.635 688 G HN 0.429 nan 8.290 nan 0.000 0.509 689 F N 3.164 123.161 119.950 0.078 0.000 2.753 689 F HA 0.626 5.153 4.527 -0.001 0.000 0.314 689 F C 0.768 176.599 175.800 0.053 0.000 1.215 689 F CA -0.628 57.411 58.000 0.066 0.000 1.243 689 F CB 0.400 39.457 39.000 0.096 0.000 1.400 689 F HN 0.057 nan 8.300 nan 0.000 0.548 690 E N 0.035 120.306 120.200 0.119 0.000 2.392 690 E HA 0.185 4.534 4.350 -0.001 0.000 0.256 690 E C 0.251 176.894 176.600 0.071 0.000 1.145 690 E CA -0.041 56.411 56.400 0.087 0.000 0.929 690 E CB 0.446 30.174 29.700 0.047 0.000 0.998 690 E HN 0.119 nan 8.360 nan 0.000 0.442 691 T N 1.549 116.135 114.554 0.053 0.000 2.814 691 T HA 0.150 4.499 4.350 -0.001 0.000 0.297 691 T C -0.518 174.170 174.700 -0.020 0.000 0.956 691 T CA -0.259 61.822 62.100 -0.033 0.000 1.123 691 T CB 0.303 69.059 68.868 -0.186 0.000 0.902 691 T HN 0.266 nan 8.240 nan 0.000 0.528 692 D N 3.513 123.906 120.400 -0.011 0.000 2.477 692 D HA 0.379 5.018 4.640 -0.001 0.000 0.239 692 D C -0.712 175.643 176.300 0.093 0.000 1.102 692 D CA -0.479 53.529 54.000 0.014 0.000 0.901 692 D CB 0.025 40.828 40.800 0.006 0.000 1.026 692 D HN 0.422 nan 8.370 nan 0.000 0.515 693 I N 3.239 123.800 120.570 -0.015 0.000 2.418 693 I HA 0.228 4.398 4.170 -0.001 0.000 0.287 693 I C 0.103 176.203 176.117 -0.028 0.000 1.008 693 I CA -0.866 60.446 61.300 0.020 0.000 1.104 693 I CB 1.658 39.592 38.000 -0.111 0.000 1.264 693 I HN 0.214 nan 8.210 nan 0.000 0.438 694 H N 5.077 124.185 119.070 0.063 0.000 2.620 694 H HA 0.322 4.878 4.556 -0.001 0.000 0.313 694 H C 0.940 176.237 175.328 -0.052 0.000 1.075 694 H CA 0.887 56.946 56.048 0.020 0.000 1.397 694 H CB 1.597 31.408 29.762 0.082 0.000 1.446 694 H HN 1.005 nan 8.280 nan 0.000 0.493 695 G N 2.391 111.145 108.800 -0.076 0.000 2.376 695 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.208 695 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.208 695 G C 0.386 175.034 174.900 -0.420 0.000 1.032 695 G CA -0.120 44.876 45.100 -0.174 0.000 0.641 695 G HN 0.859 nan 8.290 nan 0.000 0.503 696 A N -0.126 122.518 122.820 -0.293 0.000 2.302 696 A HA 0.771 5.091 4.320 -0.001 0.000 0.285 696 A C -0.678 176.698 177.584 -0.346 0.000 1.105 696 A CA -0.188 51.724 52.037 -0.209 0.000 0.816 696 A CB 0.411 19.453 19.000 0.070 0.000 1.067 696 A HN 0.821 nan 8.150 nan 0.000 0.489 697 Y N 0.330 120.690 120.300 0.101 0.000 2.331 697 Y HA 0.460 5.010 4.550 -0.001 0.000 0.334 697 Y C 0.542 176.284 175.900 -0.262 0.000 0.960 697 Y CA -0.553 57.523 58.100 -0.039 0.000 1.130 697 Y CB 1.384 39.805 38.460 -0.064 0.000 1.164 697 Y HN 0.748 nan 8.280 nan 0.000 0.458 698 R N 3.518 123.829 120.500 -0.314 0.000 2.370 698 R HA 0.155 4.494 4.340 -0.001 0.000 0.309 698 R C -0.379 175.726 176.300 -0.324 0.000 1.059 698 R CA -0.227 55.444 56.100 -0.715 0.000 0.981 698 R CB 0.447 30.404 30.300 -0.572 0.000 0.972 698 R HN 0.682 nan 8.270 nan 0.000 0.437 699 Q N 2.052 121.670 119.800 -0.302 0.000 2.166 699 Q HA 0.249 4.589 4.340 -0.001 0.000 0.226 699 Q C 0.806 176.738 176.000 -0.114 0.000 0.989 699 Q CA 0.006 55.716 55.803 -0.156 0.000 0.966 699 Q CB 1.127 29.794 28.738 -0.118 0.000 1.173 699 Q HN 0.757 nan 8.270 nan 0.000 0.509 700 A N 0.738 123.517 122.820 -0.069 0.000 1.969 700 A HA -0.180 4.140 4.320 -0.001 0.000 0.218 700 A C 1.276 178.842 177.584 -0.030 0.000 1.169 700 A CA 2.017 54.026 52.037 -0.047 0.000 0.635 700 A CB -0.347 18.633 19.000 -0.033 0.000 0.810 700 A HN 0.760 nan 8.150 nan 0.000 0.445 701 D N -2.635 117.759 120.400 -0.011 0.000 2.271 701 D HA 0.236 4.876 4.640 -0.001 0.000 0.206 701 D C 1.338 177.638 176.300 0.000 0.000 0.967 701 D CA 1.491 55.497 54.000 0.010 0.000 0.867 701 D CB -0.329 40.502 40.800 0.052 0.000 0.960 701 D HN 0.741 nan 8.370 nan 0.000 0.509 702 G N 0.134 108.920 108.800 -0.024 0.000 2.428 702 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.199 702 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.199 702 G C 0.251 175.148 174.900 -0.005 0.000 1.005 702 G CA -0.295 44.784 45.100 -0.035 0.000 0.671 702 G HN 0.349 nan 8.290 nan 0.000 0.485 703 R N 0.230 120.774 120.500 0.072 0.000 2.491 703 R HA 0.463 4.802 4.340 -0.001 0.000 0.283 703 R C -0.544 175.821 176.300 0.108 0.000 1.072 703 R CA -0.165 56.046 56.100 0.185 0.000 1.048 703 R CB 0.378 30.877 30.300 0.332 0.000 0.983 703 R HN 0.324 nan 8.270 nan 0.000 0.450 704 Y N 0.870 121.217 120.300 0.078 0.000 2.304 704 Y HA 0.109 4.659 4.550 -0.001 0.000 0.328 704 Y C 0.893 176.814 175.900 0.035 0.000 1.123 704 Y CA -0.012 58.113 58.100 0.041 0.000 1.218 704 Y CB 1.526 39.991 38.460 0.009 0.000 1.207 704 Y HN 0.527 nan 8.280 nan 0.000 0.495 705 T N 0.885 115.516 114.554 0.129 0.000 2.823 705 T HA 0.663 5.013 4.350 -0.001 0.000 0.279 705 T C -0.611 174.192 174.700 0.173 0.000 0.998 705 T CA -0.948 61.189 62.100 0.062 0.000 0.994 705 T CB 0.856 69.674 68.868 -0.083 0.000 0.960 705 T HN 0.460 nan 8.240 nan 0.000 0.448 706 V N 0.288 120.272 119.914 0.116 0.000 2.547 706 V HA 0.642 4.761 4.120 -0.001 0.000 0.299 706 V C -0.001 176.168 176.094 0.126 0.000 1.040 706 V CA -1.256 61.115 62.300 0.118 0.000 0.913 706 V CB 1.371 33.236 31.823 0.069 0.000 0.992 706 V HN 1.015 nan 8.190 nan 0.000 0.449 707 K N 2.996 123.495 120.400 0.164 0.000 2.267 707 K HA 0.629 4.948 4.320 -0.001 0.000 0.282 707 K C -0.493 176.157 176.600 0.085 0.000 1.078 707 K CA -0.425 55.944 56.287 0.136 0.000 0.903 707 K CB 1.137 33.758 32.500 0.202 0.000 1.111 707 K HN 0.927 nan 8.250 nan 0.000 0.475 708 V N 1.642 121.590 119.914 0.056 0.000 3.113 708 V HA 0.532 4.652 4.120 -0.001 0.000 0.316 708 V C -0.176 175.936 176.094 0.030 0.000 1.125 708 V CA -1.325 61.000 62.300 0.042 0.000 1.026 708 V CB 1.244 33.087 31.823 0.034 0.000 1.080 708 V HN 0.561 nan 8.190 nan 0.000 0.444 709 L N 1.141 122.378 121.223 0.024 0.000 2.452 709 L HA 0.407 4.747 4.340 -0.001 0.000 0.267 709 L C 0.636 177.511 176.870 0.007 0.000 1.188 709 L CA -0.288 54.560 54.840 0.013 0.000 0.821 709 L CB 0.310 42.374 42.059 0.010 0.000 1.102 709 L HN 0.662 nan 8.230 nan 0.000 0.470 710 K N 2.129 122.529 120.400 -0.000 0.000 2.270 710 K HA 0.297 4.617 4.320 -0.001 0.000 0.276 710 K C -0.416 176.181 176.600 -0.006 0.000 1.023 710 K CA -0.059 56.226 56.287 -0.003 0.000 0.955 710 K CB 1.101 33.597 32.500 -0.007 0.000 0.975 710 K HN 0.539 nan 8.250 nan 0.000 0.471 711 E N 0.000 120.198 120.200 -0.003 0.000 2.725 711 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 711 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 711 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 711 E HN 0.000 nan 8.360 nan 0.000 0.440