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 3i6n_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLALPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SNEHSKTQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLAREQI NAVTSFLDAS LVYGSEPXLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYLPFN NKKPSPcEFI NTTARVPcFL DATA SEQUENCE AGDFRASEQI LLATAHTLLL REHNRLAREL KKLNPHWNGE KLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQD KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQTV LKNKILAKKL MDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS TVDKLDLSPW ASREN 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.670 174.600 0.117 0.000 1.055 1 S CA 0.000 58.224 58.200 0.041 0.000 1.107 1 S CB 0.000 63.162 63.200 -0.063 0.000 0.593 2 W N 3.355 124.676 121.300 0.035 0.000 3.083 2 W HA -0.133 4.492 4.660 -0.059 0.000 0.459 2 W C 0.285 176.826 176.519 0.036 0.000 1.833 2 W CA -0.118 57.249 57.345 0.037 0.000 0.461 2 W CB -0.410 29.069 29.460 0.032 0.000 2.860 2 W HN 0.790 nan 8.180 nan 0.000 0.422 3 E N 1.217 121.595 120.200 0.298 0.000 2.101 3 E HA 0.049 4.364 4.350 -0.059 0.000 0.194 3 E C 1.853 178.476 176.600 0.038 0.000 0.950 3 E CA 0.913 57.400 56.400 0.144 0.000 0.917 3 E CB -0.600 29.179 29.700 0.132 0.000 0.963 3 E HN 0.486 nan 8.360 nan 0.000 0.476 4 V N 0.291 120.201 119.914 -0.006 0.000 1.115 4 V HA -0.365 3.720 4.120 -0.059 0.000 0.037 4 V C 1.525 177.603 176.094 -0.028 0.000 2.140 4 V CA 2.376 64.632 62.300 -0.072 0.000 3.046 4 V CB -1.287 30.410 31.823 -0.209 0.000 1.438 4 V HN 0.478 nan 8.190 nan 0.000 0.999 5 G N -1.878 106.923 108.800 0.001 0.000 2.752 5 G HA2 -0.164 3.760 3.960 -0.059 0.000 0.209 5 G HA3 -0.164 3.760 3.960 -0.059 0.000 0.209 5 G C 0.849 175.765 174.900 0.027 0.000 1.392 5 G CA 0.737 45.846 45.100 0.015 0.000 0.873 5 G HN 1.063 nan 8.290 nan 0.000 0.586 6 c N 1.457 120.086 118.600 0.047 0.000 1.576 6 c HA 0.354 4.889 4.570 -0.059 0.000 0.442 6 c C 1.280 175.393 174.090 0.038 0.000 1.502 6 c CA 1.014 57.376 56.329 0.055 0.000 1.594 6 c CB -1.512 41.054 42.510 0.093 0.000 2.922 6 c HN 1.152 nan 8.230 nan 0.000 0.574 7 G N 4.438 113.249 108.800 0.019 0.000 4.034 7 G HA2 0.522 4.446 3.960 -0.059 0.000 0.243 7 G HA3 0.522 4.446 3.960 -0.059 0.000 0.243 7 G C 0.106 174.997 174.900 -0.015 0.000 3.856 7 G CA 0.357 45.460 45.100 0.005 0.000 0.558 7 G HN 1.230 nan 8.290 nan 0.000 0.231 8 A N 1.599 124.395 122.820 -0.041 0.000 1.835 8 A HA 0.218 4.502 4.320 -0.059 0.000 0.215 8 A C -0.773 176.781 177.584 -0.050 0.000 1.199 8 A CA 1.085 53.088 52.037 -0.056 0.000 0.615 8 A CB -1.220 17.724 19.000 -0.094 0.000 0.838 8 A HN 0.416 nan 8.150 nan 0.000 0.444 9 P HA 0.171 nan 4.420 nan 0.000 0.258 9 P C 0.606 177.895 177.300 -0.019 0.000 1.214 9 P CA 0.210 63.283 63.100 -0.045 0.000 0.872 9 P CB 0.255 31.921 31.700 -0.057 0.000 0.890 10 V N 4.182 124.089 119.914 -0.012 0.000 2.403 10 V HA 0.232 4.317 4.120 -0.059 0.000 0.145 10 V C -1.622 174.477 176.094 0.009 0.000 0.956 10 V CA -0.133 62.169 62.300 0.003 0.000 1.390 10 V CB -2.081 29.744 31.823 0.003 0.000 0.853 10 V HN 0.316 nan 8.190 nan 0.000 0.427 11 P HA 0.369 nan 4.420 nan 0.000 0.287 11 P C -0.930 176.382 177.300 0.021 0.000 1.281 11 P CA -0.177 62.930 63.100 0.013 0.000 0.781 11 P CB 1.390 33.098 31.700 0.014 0.000 0.903 12 L N 4.922 126.155 121.223 0.017 0.000 2.439 12 L HA 0.392 4.697 4.340 -0.059 0.000 0.261 12 L C 0.004 176.887 176.870 0.023 0.000 1.153 12 L CA -0.273 54.581 54.840 0.023 0.000 0.808 12 L CB 1.188 43.258 42.059 0.018 0.000 1.126 12 L HN 0.240 nan 8.230 nan 0.000 0.460 13 V N 1.570 121.501 119.914 0.028 0.000 3.181 13 V HA 0.497 4.581 4.120 -0.059 0.000 0.308 13 V C -0.575 175.534 176.094 0.026 0.000 1.214 13 V CA -1.333 60.982 62.300 0.026 0.000 1.053 13 V CB 1.858 33.699 31.823 0.030 0.000 1.069 13 V HN 0.665 nan 8.190 nan 0.000 0.441 14 K N 0.296 120.709 120.400 0.022 0.000 2.172 14 K HA 0.514 4.799 4.320 -0.059 0.000 0.276 14 K C -0.990 175.625 176.600 0.024 0.000 1.013 14 K CA -0.331 55.968 56.287 0.021 0.000 0.913 14 K CB 1.131 33.641 32.500 0.016 0.000 1.055 14 K HN 0.846 nan 8.250 nan 0.000 0.461 15 c N 2.948 121.564 118.600 0.026 0.000 2.401 15 c HA 0.129 4.663 4.570 -0.059 0.000 0.365 15 c C 1.550 175.653 174.090 0.022 0.000 1.250 15 c CA -0.654 55.693 56.329 0.030 0.000 2.131 15 c CB 0.734 43.266 42.510 0.036 0.000 2.445 15 c HN 0.947 nan 8.230 nan 0.000 0.550 16 D N 0.364 120.776 120.400 0.022 0.000 2.216 16 D HA -0.050 4.555 4.640 -0.059 0.000 0.208 16 D C 1.215 177.520 176.300 0.008 0.000 0.960 16 D CA 0.883 54.890 54.000 0.011 0.000 0.861 16 D CB 0.187 40.990 40.800 0.005 0.000 0.985 16 D HN 0.843 nan 8.370 nan 0.000 0.493 17 E N -1.356 118.854 120.200 0.017 0.000 4.005 17 E HA -0.280 4.034 4.350 -0.059 0.000 0.349 17 E C 0.242 176.838 176.600 -0.007 0.000 0.635 17 E CA 1.324 57.729 56.400 0.010 0.000 1.238 17 E CB -1.462 28.241 29.700 0.006 0.000 1.698 17 E HN 0.338 nan 8.360 nan 0.000 0.418 18 N N -0.283 118.407 118.700 -0.016 0.000 2.143 18 N HA 0.086 4.790 4.740 -0.059 0.000 0.229 18 N C -0.781 174.690 175.510 -0.065 0.000 1.294 18 N CA 0.189 53.216 53.050 -0.039 0.000 0.883 18 N CB 1.470 39.935 38.487 -0.036 0.000 1.148 18 N HN 0.009 nan 8.380 nan 0.000 0.511 19 S N 1.389 117.060 115.700 -0.048 0.000 2.528 19 S HA 0.229 4.664 4.470 -0.059 0.000 0.277 19 S C -1.872 172.649 174.600 -0.132 0.000 1.297 19 S CA -1.118 57.020 58.200 -0.104 0.000 1.052 19 S CB 0.690 63.864 63.200 -0.044 0.000 0.917 19 S HN 0.041 nan 8.310 nan 0.000 0.492 20 P HA 0.226 nan 4.420 nan 0.000 0.257 20 P C -1.085 175.979 177.300 -0.393 0.000 1.281 20 P CA 0.236 63.117 63.100 -0.364 0.000 0.826 20 P CB -0.092 31.259 31.700 -0.581 0.000 1.237 21 Y N -0.461 119.736 120.300 -0.171 0.000 2.468 21 Y HA 0.456 4.968 4.550 -0.062 0.000 0.342 21 Y C 1.152 176.702 175.900 -0.584 0.000 1.021 21 Y CA -1.592 56.274 58.100 -0.389 0.000 1.079 21 Y CB 1.658 39.962 38.460 -0.261 0.000 1.226 21 Y HN -0.417 nan 8.280 nan 0.000 0.460 22 R N 0.894 121.010 120.500 -0.640 0.000 2.694 22 R HA 0.160 4.465 4.340 -0.059 0.000 0.268 22 R C 0.211 176.372 176.300 -0.232 0.000 1.061 22 R CA -0.137 55.599 56.100 -0.607 0.000 1.133 22 R CB 0.447 30.444 30.300 -0.505 0.000 1.020 22 R HN 0.741 nan 8.270 nan 0.000 0.475 23 T N -1.385 113.095 114.554 -0.123 0.000 2.754 23 T HA 0.165 4.479 4.350 -0.059 0.000 0.286 23 T C 1.400 176.096 174.700 -0.007 0.000 0.997 23 T CA -0.573 61.510 62.100 -0.027 0.000 0.982 23 T CB 0.604 69.485 68.868 0.022 0.000 1.027 23 T HN 0.493 nan 8.240 nan 0.000 0.529 24 I N 0.704 121.293 120.570 0.031 0.000 2.703 24 I HA -0.026 4.109 4.170 -0.059 0.000 0.259 24 I C 2.714 178.883 176.117 0.086 0.000 1.151 24 I CA 1.009 62.343 61.300 0.057 0.000 1.470 24 I CB -0.060 37.982 38.000 0.070 0.000 1.112 24 I HN 0.974 nan 8.210 nan 0.000 0.437 25 T N -2.346 112.259 114.554 0.085 0.000 3.148 25 T HA 0.183 4.498 4.350 -0.059 0.000 0.253 25 T C 1.607 176.396 174.700 0.149 0.000 1.134 25 T CA 0.592 62.753 62.100 0.103 0.000 1.051 25 T CB 0.203 69.121 68.868 0.085 0.000 0.959 25 T HN 0.487 nan 8.240 nan 0.000 0.525 26 G N 0.932 109.837 108.800 0.176 0.000 2.199 26 G HA2 -0.227 3.698 3.960 -0.059 0.000 0.254 26 G HA3 -0.227 3.698 3.960 -0.059 0.000 0.254 26 G C -0.092 174.982 174.900 0.291 0.000 0.982 26 G CA 0.083 45.371 45.100 0.314 0.000 0.632 26 G HN 0.593 nan 8.290 nan 0.000 0.529 27 D N -0.656 119.850 120.400 0.177 0.000 2.354 27 D HA 0.312 4.916 4.640 -0.059 0.000 0.238 27 D C 1.648 178.019 176.300 0.117 0.000 1.250 27 D CA 0.910 54.997 54.000 0.145 0.000 0.911 27 D CB 0.639 41.498 40.800 0.098 0.000 1.163 27 D HN 0.756 nan 8.370 nan 0.000 0.456 28 c N 0.349 119.014 118.600 0.108 0.000 4.378 28 c HA -0.187 4.348 4.570 -0.059 0.000 0.279 28 c C 2.051 176.196 174.090 0.091 0.000 1.481 28 c CA 0.313 56.696 56.329 0.090 0.000 1.849 28 c CB -2.549 40.005 42.510 0.074 0.000 1.542 28 c HN 0.757 nan 8.230 nan 0.000 0.743 29 N N 1.855 120.602 118.700 0.077 0.000 2.058 29 N HA -0.124 4.581 4.740 -0.059 0.000 0.191 29 N C 0.469 175.992 175.510 0.021 0.000 1.037 29 N CA 1.455 54.494 53.050 -0.018 0.000 0.848 29 N CB -0.171 38.088 38.487 -0.379 0.000 1.021 29 N HN 0.810 nan 8.380 nan 0.000 0.422 30 N N 0.838 119.612 118.700 0.124 0.000 2.419 30 N HA 0.069 4.774 4.740 -0.059 0.000 0.264 30 N C 0.697 176.278 175.510 0.118 0.000 1.031 30 N CA -0.112 53.039 53.050 0.168 0.000 0.951 30 N CB 0.918 39.532 38.487 0.213 0.000 1.101 30 N HN 0.174 nan 8.380 nan 0.000 0.488 31 R N 2.652 123.214 120.500 0.103 0.000 2.066 31 R HA 0.024 4.329 4.340 -0.059 0.000 0.232 31 R C 1.981 178.316 176.300 0.059 0.000 1.131 31 R CA 1.213 57.354 56.100 0.069 0.000 0.955 31 R CB 0.121 30.454 30.300 0.055 0.000 0.851 31 R HN 0.564 nan 8.270 nan 0.000 0.432 32 R N -0.310 120.226 120.500 0.061 0.000 2.073 32 R HA -0.035 4.270 4.340 -0.059 0.000 0.234 32 R C 0.941 177.266 176.300 0.043 0.000 1.134 32 R CA 1.220 57.346 56.100 0.042 0.000 0.952 32 R CB -0.168 30.152 30.300 0.034 0.000 0.850 32 R HN -0.012 nan 8.270 nan 0.000 0.433 33 S N 0.362 116.098 115.700 0.061 0.000 2.150 33 S HA 0.281 4.715 4.470 -0.059 0.000 0.171 33 S C -2.191 172.462 174.600 0.087 0.000 1.620 33 S CA -1.705 56.531 58.200 0.060 0.000 1.190 33 S CB 1.142 64.375 63.200 0.055 0.000 1.102 33 S HN -0.096 nan 8.310 nan 0.000 0.464 34 P HA 0.028 nan 4.420 nan 0.000 0.223 34 P C 0.853 178.220 177.300 0.111 0.000 1.144 34 P CA 0.648 63.803 63.100 0.091 0.000 0.783 34 P CB 0.171 31.911 31.700 0.067 0.000 0.771 35 A N -1.583 121.298 122.820 0.101 0.000 2.308 35 A HA 0.115 4.399 4.320 -0.059 0.000 0.217 35 A C 0.693 178.359 177.584 0.136 0.000 1.216 35 A CA -0.082 52.020 52.037 0.108 0.000 0.864 35 A CB -0.713 18.331 19.000 0.073 0.000 0.902 35 A HN 0.054 nan 8.150 nan 0.000 0.499 36 L N 0.987 122.307 121.223 0.162 0.000 2.530 36 L HA 0.410 4.715 4.340 -0.059 0.000 0.273 36 L C 1.343 178.362 176.870 0.250 0.000 1.141 36 L CA 1.517 56.463 54.840 0.177 0.000 0.905 36 L CB -0.215 41.958 42.059 0.190 0.000 1.202 36 L HN 0.625 nan 8.230 nan 0.000 0.473 37 G N 2.768 111.615 108.800 0.079 0.000 2.159 37 G HA2 -0.143 3.781 3.960 -0.059 0.000 0.227 37 G HA3 -0.143 3.781 3.960 -0.059 0.000 0.227 37 G C 0.404 175.302 174.900 -0.003 0.000 0.986 37 G CA 0.007 44.999 45.100 -0.179 0.000 0.651 37 G HN 1.028 nan 8.290 nan 0.000 0.523 38 A N 0.038 122.934 122.820 0.126 0.000 2.332 38 A HA 0.910 5.195 4.320 -0.059 0.000 0.258 38 A C 1.013 178.645 177.584 0.081 0.000 1.087 38 A CA 0.860 52.984 52.037 0.144 0.000 0.802 38 A CB 0.557 19.636 19.000 0.133 0.000 1.042 38 A HN 2.068 nan 8.150 nan 0.000 0.489 39 A N 0.990 123.865 122.820 0.092 0.000 2.386 39 A HA 0.478 4.762 4.320 -0.059 0.000 0.248 39 A C 0.690 178.307 177.584 0.056 0.000 1.082 39 A CA 0.042 52.124 52.037 0.074 0.000 0.789 39 A CB -0.251 18.803 19.000 0.091 0.000 1.025 39 A HN 1.233 nan 8.150 nan 0.000 0.490 40 N N -0.129 118.596 118.700 0.041 0.000 2.780 40 N HA -0.120 4.584 4.740 -0.059 0.000 0.248 40 N C -0.439 175.079 175.510 0.014 0.000 1.102 40 N CA 1.253 54.314 53.050 0.019 0.000 0.697 40 N CB -0.769 37.730 38.487 0.019 0.000 1.028 40 N HN 0.775 nan 8.380 nan 0.000 0.554 41 R N -0.452 120.060 120.500 0.020 0.000 2.888 41 R HA 0.732 5.036 4.340 -0.059 0.000 0.264 41 R C -0.060 176.256 176.300 0.027 0.000 1.045 41 R CA -0.465 55.650 56.100 0.025 0.000 0.962 41 R CB 1.065 31.386 30.300 0.034 0.000 1.210 41 R HN 0.121 nan 8.270 nan 0.000 0.479 42 A N 1.448 124.292 122.820 0.041 0.000 2.520 42 A HA 0.207 4.491 4.320 -0.059 0.000 0.235 42 A C 0.262 177.874 177.584 0.046 0.000 1.065 42 A CA -0.107 51.962 52.037 0.054 0.000 0.764 42 A CB -0.020 19.025 19.000 0.075 0.000 1.002 42 A HN 0.512 nan 8.150 nan 0.000 0.502 43 L N 0.991 122.244 121.223 0.050 0.000 2.464 43 L HA 0.379 4.683 4.340 -0.059 0.000 0.264 43 L C 1.079 177.967 176.870 0.030 0.000 1.199 43 L CA 0.125 54.983 54.840 0.029 0.000 0.818 43 L CB 0.496 42.587 42.059 0.052 0.000 1.102 43 L HN 0.817 nan 8.230 nan 0.000 0.473 44 A N 2.612 125.424 122.820 -0.013 0.000 2.340 44 A HA 0.494 4.779 4.320 -0.059 0.000 0.268 44 A C -0.221 177.366 177.584 0.006 0.000 1.100 44 A CA -0.500 51.553 52.037 0.026 0.000 0.803 44 A CB 0.318 19.347 19.000 0.050 0.000 1.043 44 A HN 0.592 nan 8.150 nan 0.000 0.488 45 R N 1.910 122.483 120.500 0.123 0.000 2.239 45 R HA 0.107 4.411 4.340 -0.059 0.000 0.332 45 R C -0.272 176.218 176.300 0.317 0.000 0.988 45 R CA -0.385 55.813 56.100 0.162 0.000 0.859 45 R CB 0.637 31.038 30.300 0.169 0.000 1.148 45 R HN 0.955 nan 8.270 nan 0.000 0.482 46 W N 2.126 123.525 121.300 0.164 0.000 2.519 46 W HA 0.080 4.703 4.660 -0.061 0.000 0.266 46 W C 0.488 177.067 176.519 0.101 0.000 1.253 46 W CA 0.379 57.818 57.345 0.157 0.000 1.274 46 W CB -0.039 29.491 29.460 0.116 0.000 1.114 46 W HN 0.295 nan 8.180 nan 0.000 0.596 47 L N -0.745 120.650 121.223 0.285 0.000 2.424 47 L HA 0.342 4.647 4.340 -0.059 0.000 0.258 47 L C -2.181 174.736 176.870 0.077 0.000 0.995 47 L CA -2.131 52.749 54.840 0.067 0.000 0.821 47 L CB 2.118 44.024 42.059 -0.255 0.000 1.383 47 L HN -0.516 nan 8.230 nan 0.000 0.410 48 P HA 0.081 nan 4.420 nan 0.000 0.265 48 P C -0.685 176.631 177.300 0.027 0.000 1.193 48 P CA -0.117 63.009 63.100 0.043 0.000 0.765 48 P CB 0.612 32.324 31.700 0.020 0.000 0.823 49 A N 3.158 126.005 122.820 0.044 0.000 2.466 49 A HA 0.088 4.373 4.320 -0.059 0.000 0.238 49 A C 0.192 177.743 177.584 -0.056 0.000 1.074 49 A CA 0.145 52.164 52.037 -0.031 0.000 0.774 49 A CB -0.088 18.911 19.000 -0.002 0.000 1.015 49 A HN 0.582 nan 8.150 nan 0.000 0.498 50 E N 0.708 120.820 120.200 -0.146 0.000 2.437 50 E HA 0.355 4.669 4.350 -0.059 0.000 0.238 50 E C -1.714 174.838 176.600 -0.080 0.000 0.969 50 E CA 0.089 56.485 56.400 -0.006 0.000 0.759 50 E CB 0.909 30.668 29.700 0.099 0.000 1.283 50 E HN 0.667 nan 8.360 nan 0.000 0.416 51 Y N 0.604 120.872 120.300 -0.052 0.000 2.496 51 Y HA 0.103 4.617 4.550 -0.059 0.000 0.331 51 Y C 1.739 177.259 175.900 -0.633 0.000 1.140 51 Y CA -0.513 57.402 58.100 -0.309 0.000 1.166 51 Y CB 1.354 39.655 38.460 -0.266 0.000 1.249 51 Y HN 0.456 nan 8.280 nan 0.000 0.479 52 E N 0.914 120.590 120.200 -0.875 0.000 2.058 52 E HA -0.260 4.054 4.350 -0.059 0.000 0.194 52 E C 0.744 177.137 176.600 -0.345 0.000 0.997 52 E CA 1.903 57.739 56.400 -0.940 0.000 0.801 52 E CB -0.032 29.266 29.700 -0.670 0.000 0.746 52 E HN 0.859 nan 8.360 nan 0.000 0.450 53 D N -1.476 118.764 120.400 -0.265 0.000 2.358 53 D HA 0.080 4.685 4.640 -0.059 0.000 0.224 53 D C 1.160 177.381 176.300 -0.133 0.000 1.123 53 D CA 0.675 54.566 54.000 -0.182 0.000 0.833 53 D CB 0.257 40.926 40.800 -0.218 0.000 0.946 53 D HN 0.393 nan 8.370 nan 0.000 0.505 54 G N 0.264 109.014 108.800 -0.084 0.000 2.257 54 G HA2 -0.356 3.569 3.960 -0.059 0.000 0.267 54 G HA3 -0.356 3.569 3.960 -0.059 0.000 0.267 54 G C 0.844 175.748 174.900 0.007 0.000 0.984 54 G CA 0.863 45.959 45.100 -0.007 0.000 0.626 54 G HN 0.461 nan 8.290 nan 0.000 0.540 55 L N -2.135 119.013 121.223 -0.124 0.000 2.588 55 L HA 0.652 4.957 4.340 -0.059 0.000 0.194 55 L C 2.337 178.805 176.870 -0.669 0.000 1.070 55 L CA 1.212 55.903 54.840 -0.250 0.000 0.852 55 L CB 0.107 42.004 42.059 -0.270 0.000 1.199 55 L HN 0.532 nan 8.230 nan 0.000 0.486 56 A N -1.701 120.554 122.820 -0.941 0.000 2.692 56 A HA 0.271 4.556 4.320 -0.059 0.000 0.175 56 A C -0.278 176.627 177.584 -1.131 0.000 1.537 56 A CA -0.261 50.904 52.037 -1.454 0.000 1.134 56 A CB 0.365 18.789 19.000 -0.959 0.000 1.419 56 A HN 0.042 nan 8.150 nan 0.000 0.514 57 L N 2.703 123.455 121.223 -0.785 0.000 2.361 57 L HA 0.403 4.707 4.340 -0.059 0.000 0.278 57 L C -2.408 174.210 176.870 -0.421 0.000 1.113 57 L CA -1.969 52.413 54.840 -0.763 0.000 0.849 57 L CB 0.384 42.025 42.059 -0.697 0.000 1.155 57 L HN 0.074 nan 8.230 nan 0.000 0.452 58 P HA 0.090 nan 4.420 nan 0.000 0.272 58 P C -0.447 176.842 177.300 -0.018 0.000 1.230 58 P CA -0.267 62.803 63.100 -0.051 0.000 0.788 58 P CB 0.367 32.008 31.700 -0.097 0.000 0.949 59 F N 0.603 120.660 119.950 0.178 0.000 2.529 59 F HA 0.328 4.819 4.527 -0.060 0.000 0.365 59 F C 1.950 177.902 175.800 0.253 0.000 1.102 59 F CA 1.796 59.906 58.000 0.183 0.000 1.271 59 F CB -0.016 39.074 39.000 0.150 0.000 1.120 59 F HN 0.683 nan 8.300 nan 0.000 0.579 60 G N 2.863 111.930 108.800 0.444 0.000 2.175 60 G HA2 -0.303 3.622 3.960 -0.059 0.000 0.244 60 G HA3 -0.303 3.622 3.960 -0.059 0.000 0.244 60 G C 0.952 176.064 174.900 0.354 0.000 0.982 60 G CA 0.245 45.556 45.100 0.353 0.000 0.641 60 G HN 0.805 nan 8.290 nan 0.000 0.527 61 W N 1.500 122.862 121.300 0.102 0.000 2.408 61 W HA 0.117 4.741 4.660 -0.059 0.000 0.311 61 W C 0.166 176.701 176.519 0.026 0.000 1.190 61 W CA 1.855 59.196 57.345 -0.007 0.000 1.321 61 W CB -0.170 29.154 29.460 -0.226 0.000 1.143 61 W HN 0.215 nan 8.180 nan 0.000 0.501 62 T N 2.482 117.201 114.554 0.275 0.000 2.781 62 T HA 0.146 4.461 4.350 -0.059 0.000 0.305 62 T C 0.750 175.519 174.700 0.114 0.000 1.001 62 T CA -0.335 61.861 62.100 0.159 0.000 0.950 62 T CB 1.557 70.533 68.868 0.180 0.000 0.955 62 T HN -0.000 nan 8.240 nan 0.000 0.471 63 Q N 2.777 122.614 119.800 0.061 0.000 2.103 63 Q HA -0.305 3.999 4.340 -0.059 0.000 0.213 63 Q C 2.168 178.208 176.000 0.067 0.000 1.008 63 Q CA 1.976 57.812 55.803 0.054 0.000 0.879 63 Q CB -0.464 28.286 28.738 0.020 0.000 0.946 63 Q HN 0.775 nan 8.270 nan 0.000 0.413 64 R N 0.317 120.852 120.500 0.058 0.000 2.316 64 R HA 0.081 4.385 4.340 -0.059 0.000 0.202 64 R C -0.038 176.303 176.300 0.069 0.000 1.029 64 R CA 0.501 56.633 56.100 0.054 0.000 1.018 64 R CB 0.091 30.414 30.300 0.039 0.000 0.888 64 R HN -0.046 nan 8.270 nan 0.000 0.471 65 K N 2.564 123.023 120.400 0.097 0.000 2.263 65 K HA 0.116 4.400 4.320 -0.059 0.000 0.272 65 K C -0.130 176.573 176.600 0.173 0.000 1.033 65 K CA -0.196 56.164 56.287 0.121 0.000 0.884 65 K CB 1.925 34.499 32.500 0.123 0.000 1.107 65 K HN 0.213 nan 8.250 nan 0.000 0.460 66 T N 0.211 114.848 114.554 0.139 0.000 2.810 66 T HA 0.306 4.620 4.350 -0.059 0.000 0.277 66 T C 0.174 174.985 174.700 0.184 0.000 0.973 66 T CA -0.779 61.400 62.100 0.133 0.000 0.949 66 T CB 1.327 70.215 68.868 0.033 0.000 1.075 66 T HN 0.586 nan 8.240 nan 0.000 0.537 67 R N 0.798 121.328 120.500 0.051 0.000 2.435 67 R HA 0.285 4.590 4.340 -0.059 0.000 0.308 67 R C -0.463 175.790 176.300 -0.079 0.000 0.975 67 R CA -0.450 55.553 56.100 -0.162 0.000 0.867 67 R CB 0.060 29.952 30.300 -0.679 0.000 1.171 67 R HN 0.843 nan 8.270 nan 0.000 0.470 68 N N 3.053 121.725 118.700 -0.047 0.000 2.725 68 N HA -0.214 4.490 4.740 -0.059 0.000 0.249 68 N C 0.607 176.038 175.510 -0.133 0.000 1.103 68 N CA 1.702 54.731 53.050 -0.034 0.000 0.707 68 N CB -0.932 37.569 38.487 0.022 0.000 1.043 68 N HN 1.099 nan 8.380 nan 0.000 0.553 69 G N -2.036 106.644 108.800 -0.200 0.000 2.284 69 G HA2 -0.312 3.613 3.960 -0.059 0.000 0.230 69 G HA3 -0.312 3.613 3.960 -0.059 0.000 0.230 69 G C 0.031 174.591 174.900 -0.566 0.000 1.021 69 G CA 0.394 45.213 45.100 -0.468 0.000 0.619 69 G HN 0.358 nan 8.290 nan 0.000 0.510 70 F N 0.725 120.684 119.950 0.014 0.000 2.541 70 F HA 0.774 5.266 4.527 -0.059 0.000 0.331 70 F C 1.023 176.837 175.800 0.023 0.000 1.057 70 F CA -1.158 56.853 58.000 0.019 0.000 0.975 70 F CB 1.053 40.065 39.000 0.020 0.000 1.246 70 F HN -0.100 nan 8.300 nan 0.000 0.484 71 R N 0.853 121.489 120.500 0.227 0.000 2.438 71 R HA 0.439 4.743 4.340 -0.059 0.000 0.287 71 R C -0.846 175.521 176.300 0.111 0.000 1.077 71 R CA -0.636 55.548 56.100 0.141 0.000 1.034 71 R CB 0.974 31.336 30.300 0.104 0.000 0.993 71 R HN 0.544 nan 8.270 nan 0.000 0.459 72 V N 1.513 121.489 119.914 0.103 0.000 2.649 72 V HA 0.411 4.495 4.120 -0.059 0.000 0.292 72 V C -1.784 174.309 176.094 -0.001 0.000 1.055 72 V CA -1.727 60.613 62.300 0.066 0.000 1.023 72 V CB 0.725 32.623 31.823 0.125 0.000 0.992 72 V HN 0.703 nan 8.190 nan 0.000 0.480 73 P HA 0.388 nan 4.420 nan 0.000 0.277 73 P C -0.278 176.959 177.300 -0.104 0.000 1.240 73 P CA -0.670 62.336 63.100 -0.156 0.000 0.798 73 P CB 1.092 32.596 31.700 -0.327 0.000 0.979 74 L N 1.469 122.648 121.223 -0.073 0.000 2.514 74 L HA -0.007 4.297 4.340 -0.059 0.000 0.280 74 L C 2.087 178.922 176.870 -0.059 0.000 1.223 74 L CA -0.245 54.559 54.840 -0.060 0.000 0.864 74 L CB -0.153 41.877 42.059 -0.048 0.000 1.118 74 L HN 0.492 nan 8.230 nan 0.000 0.494 75 A N 3.240 126.019 122.820 -0.069 0.000 1.873 75 A HA -0.247 4.037 4.320 -0.059 0.000 0.218 75 A C 2.304 179.888 177.584 0.000 0.000 1.193 75 A CA 2.053 54.066 52.037 -0.039 0.000 0.629 75 A CB -0.441 18.490 19.000 -0.115 0.000 0.826 75 A HN 0.874 nan 8.150 nan 0.000 0.447 76 R N 0.156 120.653 120.500 -0.004 0.000 2.120 76 R HA -0.122 4.183 4.340 -0.059 0.000 0.234 76 R C 2.014 178.335 176.300 0.034 0.000 1.123 76 R CA 1.993 58.119 56.100 0.044 0.000 0.975 76 R CB -0.524 29.843 30.300 0.111 0.000 0.866 76 R HN 0.731 nan 8.270 nan 0.000 0.446 77 E N -0.704 119.500 120.200 0.008 0.000 2.072 77 E HA -0.124 4.190 4.350 -0.059 0.000 0.191 77 E C 1.624 178.219 176.600 -0.008 0.000 0.985 77 E CA 1.419 57.814 56.400 -0.008 0.000 0.801 77 E CB 0.119 29.799 29.700 -0.034 0.000 0.750 77 E HN 0.219 nan 8.360 nan 0.000 0.452 78 V N 0.554 120.461 119.914 -0.012 0.000 2.427 78 V HA -0.232 3.852 4.120 -0.059 0.000 0.248 78 V C 2.452 178.594 176.094 0.080 0.000 1.051 78 V CA 1.773 64.084 62.300 0.017 0.000 1.048 78 V CB -0.582 31.264 31.823 0.039 0.000 0.666 78 V HN 0.292 nan 8.190 nan 0.000 0.456 79 S N 0.664 116.421 115.700 0.094 0.000 2.348 79 S HA -0.231 4.203 4.470 -0.059 0.000 0.221 79 S C 1.932 176.583 174.600 0.085 0.000 1.033 79 S CA 2.099 60.372 58.200 0.121 0.000 1.010 79 S CB -0.433 62.831 63.200 0.106 0.000 0.891 79 S HN 0.660 nan 8.310 nan 0.000 0.442 80 N N 1.087 119.815 118.700 0.048 0.000 2.084 80 N HA -0.021 4.683 4.740 -0.059 0.000 0.190 80 N C 1.723 177.252 175.510 0.033 0.000 1.030 80 N CA 1.272 54.337 53.050 0.026 0.000 0.849 80 N CB -0.301 38.187 38.487 0.001 0.000 1.012 80 N HN 0.458 nan 8.380 nan 0.000 0.423 81 K N -0.526 119.892 120.400 0.030 0.000 2.186 81 K HA 0.194 4.478 4.320 -0.059 0.000 0.202 81 K C 1.263 177.889 176.600 0.045 0.000 1.052 81 K CA 0.516 56.820 56.287 0.028 0.000 0.965 81 K CB 0.419 32.924 32.500 0.009 0.000 0.746 81 K HN 0.092 nan 8.250 nan 0.000 0.457 82 I N -0.637 119.971 120.570 0.063 0.000 3.443 82 I HA -0.047 4.088 4.170 -0.059 0.000 0.277 82 I C 1.865 178.038 176.117 0.093 0.000 1.169 82 I CA 0.684 62.026 61.300 0.069 0.000 1.419 82 I CB -0.361 37.683 38.000 0.073 0.000 1.331 82 I HN -0.171 nan 8.210 nan 0.000 0.458 83 V N 1.218 121.207 119.914 0.124 0.000 2.649 83 V HA 0.136 4.220 4.120 -0.059 0.000 0.248 83 V C 1.460 177.675 176.094 0.201 0.000 1.054 83 V CA 0.969 63.370 62.300 0.168 0.000 1.073 83 V CB -1.038 30.926 31.823 0.235 0.000 0.699 83 V HN 0.373 nan 8.190 nan 0.000 0.463 84 G N -0.567 108.325 108.800 0.154 0.000 2.504 84 G HA2 0.536 4.461 3.960 -0.059 0.000 0.288 84 G HA3 0.536 4.461 3.960 -0.059 0.000 0.288 84 G C -0.985 174.035 174.900 0.201 0.000 1.182 84 G CA -0.103 45.070 45.100 0.123 0.000 0.894 84 G HN 0.490 nan 8.290 nan 0.000 0.521 85 Y N -1.917 118.417 120.300 0.055 0.000 2.689 85 Y HA 0.590 5.104 4.550 -0.060 0.000 0.333 85 Y C -0.290 175.637 175.900 0.046 0.000 1.208 85 Y CA -1.246 56.882 58.100 0.046 0.000 1.055 85 Y CB 1.000 39.489 38.460 0.050 0.000 1.304 85 Y HN 0.270 nan 8.280 nan 0.000 0.455 86 L N -0.221 121.113 121.223 0.184 0.000 2.577 86 L HA 0.267 4.572 4.340 -0.059 0.000 0.225 86 L C -0.092 176.882 176.870 0.174 0.000 1.053 86 L CA 0.152 55.038 54.840 0.077 0.000 0.866 86 L CB 0.424 42.519 42.059 0.061 0.000 1.132 86 L HN 0.603 nan 8.230 nan 0.000 0.486 87 D N 1.344 121.924 120.400 0.300 0.000 2.393 87 D HA 0.036 4.641 4.640 -0.059 0.000 0.232 87 D C 0.816 177.287 176.300 0.286 0.000 1.192 87 D CA 0.135 54.269 54.000 0.224 0.000 0.882 87 D CB 1.061 41.946 40.800 0.142 0.000 1.038 87 D HN 0.032 nan 8.370 nan 0.000 0.499 88 E N 1.952 122.301 120.200 0.247 0.000 2.482 88 E HA -0.070 4.245 4.350 -0.059 0.000 0.196 88 E C 0.324 177.009 176.600 0.141 0.000 1.047 88 E CA 0.226 56.773 56.400 0.246 0.000 0.869 88 E CB 0.244 30.059 29.700 0.190 0.000 0.836 88 E HN 0.609 nan 8.360 nan 0.000 0.520 89 E N 0.107 120.371 120.200 0.105 0.000 2.344 89 E HA 0.156 4.471 4.350 -0.059 0.000 0.270 89 E C 0.567 177.196 176.600 0.049 0.000 1.021 89 E CA 0.514 56.956 56.400 0.070 0.000 0.887 89 E CB 0.381 30.116 29.700 0.059 0.000 0.997 89 E HN 0.266 nan 8.360 nan 0.000 0.429 90 G N 2.885 111.710 108.800 0.043 0.000 2.155 90 G HA2 -0.274 3.650 3.960 -0.059 0.000 0.257 90 G HA3 -0.274 3.650 3.960 -0.059 0.000 0.257 90 G C 0.679 175.589 174.900 0.017 0.000 0.983 90 G CA 0.326 45.442 45.100 0.027 0.000 0.676 90 G HN 0.506 nan 8.290 nan 0.000 0.528 91 V N 0.492 120.424 119.914 0.029 0.000 3.235 91 V HA 0.316 4.401 4.120 -0.059 0.000 0.259 91 V C 1.668 177.793 176.094 0.051 0.000 1.133 91 V CA 0.813 63.124 62.300 0.017 0.000 1.128 91 V CB -0.078 31.765 31.823 0.034 0.000 0.757 91 V HN 0.434 nan 8.190 nan 0.000 0.469 92 L N 0.799 122.062 121.223 0.067 0.000 2.439 92 L HA 0.231 4.536 4.340 -0.059 0.000 0.269 92 L C 0.300 177.213 176.870 0.072 0.000 1.179 92 L CA -0.108 54.782 54.840 0.082 0.000 0.828 92 L CB 0.086 42.196 42.059 0.085 0.000 1.106 92 L HN 0.076 nan 8.230 nan 0.000 0.467 93 D N 2.261 122.715 120.400 0.090 0.000 2.338 93 D HA -0.020 4.584 4.640 -0.059 0.000 0.255 93 D C 0.891 177.222 176.300 0.052 0.000 1.237 93 D CA -0.082 53.961 54.000 0.072 0.000 0.883 93 D CB 1.140 41.999 40.800 0.100 0.000 1.087 93 D HN 0.400 nan 8.370 nan 0.000 0.485 94 Q N 2.488 122.309 119.800 0.034 0.000 2.368 94 Q HA -0.154 4.150 4.340 -0.059 0.000 0.210 94 Q C 0.593 176.605 176.000 0.019 0.000 0.982 94 Q CA 0.946 56.767 55.803 0.029 0.000 0.884 94 Q CB 0.019 28.769 28.738 0.021 0.000 0.933 94 Q HN 0.406 nan 8.270 nan 0.000 0.460 95 N N 0.076 118.773 118.700 -0.006 0.000 2.451 95 N HA 0.064 4.768 4.740 -0.059 0.000 0.271 95 N C -1.273 174.197 175.510 -0.068 0.000 1.410 95 N CA -0.049 52.985 53.050 -0.028 0.000 0.884 95 N CB 0.553 39.012 38.487 -0.047 0.000 1.332 95 N HN -0.151 nan 8.380 nan 0.000 0.498 96 R N 0.507 120.989 120.500 -0.031 0.000 2.510 96 R HA 0.291 4.595 4.340 -0.059 0.000 0.294 96 R C -0.206 176.164 176.300 0.117 0.000 1.056 96 R CA -0.454 55.626 56.100 -0.034 0.000 0.918 96 R CB 1.015 31.219 30.300 -0.159 0.000 1.187 96 R HN 0.287 nan 8.270 nan 0.000 0.437 97 S N 2.003 117.792 115.700 0.147 0.000 2.598 97 S HA 0.111 4.545 4.470 -0.059 0.000 0.256 97 S C 1.389 176.115 174.600 0.209 0.000 1.350 97 S CA -0.653 57.639 58.200 0.153 0.000 0.984 97 S CB 0.715 63.975 63.200 0.101 0.000 0.930 97 S HN 0.657 nan 8.310 nan 0.000 0.577 98 L N 0.132 121.453 121.223 0.163 0.000 2.275 98 L HA -0.013 4.291 4.340 -0.059 0.000 0.215 98 L C 2.141 179.103 176.870 0.153 0.000 1.119 98 L CA 0.986 55.922 54.840 0.160 0.000 0.790 98 L CB -0.600 41.530 42.059 0.117 0.000 0.919 98 L HN 0.807 nan 8.230 nan 0.000 0.443 99 L N -0.675 120.614 121.223 0.110 0.000 2.201 99 L HA -0.223 4.082 4.340 -0.059 0.000 0.212 99 L C 2.193 179.179 176.870 0.193 0.000 1.105 99 L CA 1.535 56.385 54.840 0.017 0.000 0.775 99 L CB -0.748 41.171 42.059 -0.234 0.000 0.913 99 L HN 0.201 nan 8.230 nan 0.000 0.440 100 F N -0.201 119.892 119.950 0.239 0.000 2.091 100 F HA -0.303 4.186 4.527 -0.062 0.000 0.299 100 F C 2.439 178.498 175.800 0.432 0.000 1.103 100 F CA 2.379 60.691 58.000 0.520 0.000 1.228 100 F CB -0.476 38.766 39.000 0.404 0.000 0.984 100 F HN 0.234 nan 8.300 nan 0.000 0.477 101 M N 0.179 119.879 119.600 0.167 0.000 2.099 101 M HA -0.213 4.231 4.480 -0.059 0.000 0.262 101 M C 2.140 178.392 176.300 -0.079 0.000 1.067 101 M CA 1.888 57.170 55.300 -0.030 0.000 1.124 101 M CB -0.955 31.687 32.600 0.071 0.000 1.353 101 M HN 0.336 nan 8.290 nan 0.000 0.410 102 Q N -0.361 119.432 119.800 -0.012 0.000 2.291 102 Q HA -0.174 4.131 4.340 -0.059 0.000 0.205 102 Q C 1.758 177.678 176.000 -0.134 0.000 0.970 102 Q CA 1.665 57.422 55.803 -0.076 0.000 0.876 102 Q CB -0.634 28.092 28.738 -0.020 0.000 0.935 102 Q HN 0.712 nan 8.270 nan 0.000 0.455 103 W N -0.473 120.671 121.300 -0.260 0.000 2.453 103 W HA -0.007 4.618 4.660 -0.058 0.000 0.289 103 W C 1.515 177.712 176.519 -0.537 0.000 1.215 103 W CA 1.239 58.359 57.345 -0.376 0.000 1.297 103 W CB -0.227 29.069 29.460 -0.274 0.000 1.113 103 W HN 0.290 nan 8.180 nan 0.000 0.551 104 G N 0.585 109.084 108.800 -0.502 0.000 2.459 104 G HA2 -0.384 3.540 3.960 -0.059 0.000 0.217 104 G HA3 -0.384 3.540 3.960 -0.059 0.000 0.217 104 G C 1.394 175.893 174.900 -0.667 0.000 1.183 104 G CA 1.191 46.008 45.100 -0.472 0.000 0.776 104 G HN 0.384 nan 8.290 nan 0.000 0.552 105 Q N -0.297 119.130 119.800 -0.621 0.000 2.181 105 Q HA -0.077 4.228 4.340 -0.059 0.000 0.205 105 Q C 2.524 178.039 176.000 -0.808 0.000 0.980 105 Q CA 1.025 56.385 55.803 -0.738 0.000 0.862 105 Q CB -0.182 28.209 28.738 -0.578 0.000 0.905 105 Q HN 0.595 nan 8.270 nan 0.000 0.429 106 I N -0.647 119.500 120.570 -0.705 0.000 2.163 106 I HA -0.278 3.857 4.170 -0.059 0.000 0.240 106 I C 2.208 177.992 176.117 -0.554 0.000 1.081 106 I CA 0.802 61.690 61.300 -0.685 0.000 1.353 106 I CB -0.207 37.234 38.000 -0.931 0.000 1.054 106 I HN 0.069 nan 8.210 nan 0.000 0.407 107 V N 0.966 120.501 119.914 -0.632 0.000 2.231 107 V HA -0.397 3.688 4.120 -0.059 0.000 0.248 107 V C 2.371 178.524 176.094 0.099 0.000 1.054 107 V CA 2.462 64.641 62.300 -0.201 0.000 1.015 107 V CB -0.800 31.017 31.823 -0.010 0.000 0.638 107 V HN 0.606 nan 8.190 nan 0.000 0.444 108 D N -0.733 119.656 120.400 -0.018 0.000 2.149 108 D HA -0.279 4.326 4.640 -0.059 0.000 0.194 108 D C 1.897 178.276 176.300 0.132 0.000 1.001 108 D CA 2.108 56.122 54.000 0.023 0.000 0.849 108 D CB -0.251 40.074 40.800 -0.792 0.000 0.939 108 D HN 0.721 nan 8.370 nan 0.000 0.449 109 H N -0.618 118.359 119.070 -0.155 0.000 2.491 109 H HA -0.083 4.437 4.556 -0.060 0.000 0.290 109 H C 1.676 176.974 175.328 -0.049 0.000 1.050 109 H CA 0.727 56.705 56.048 -0.117 0.000 1.309 109 H CB 0.299 29.958 29.762 -0.172 0.000 1.392 109 H HN 0.227 nan 8.280 nan 0.000 0.554 110 D N 0.778 121.232 120.400 0.090 0.000 2.234 110 D HA -0.070 4.534 4.640 -0.059 0.000 0.205 110 D C 1.911 178.291 176.300 0.132 0.000 0.962 110 D CA 0.488 54.540 54.000 0.087 0.000 0.855 110 D CB 0.326 41.165 40.800 0.065 0.000 0.951 110 D HN 0.369 nan 8.370 nan 0.000 0.500 111 L N 0.094 121.420 121.223 0.172 0.000 2.298 111 L HA 0.168 4.473 4.340 -0.059 0.000 0.209 111 L C 0.526 177.479 176.870 0.140 0.000 1.084 111 L CA 0.417 55.353 54.840 0.160 0.000 0.816 111 L CB 0.105 42.292 42.059 0.214 0.000 0.967 111 L HN -0.003 nan 8.230 nan 0.000 0.460 112 D N -1.576 118.928 120.400 0.174 0.000 2.661 112 D HA 0.379 4.983 4.640 -0.059 0.000 0.228 112 D C -1.437 174.989 176.300 0.209 0.000 1.210 112 D CA -0.403 53.693 54.000 0.159 0.000 0.826 112 D CB 3.127 44.018 40.800 0.151 0.000 1.542 112 D HN -0.217 nan 8.370 nan 0.000 0.447 113 F N 0.634 120.575 119.950 -0.016 0.000 2.767 113 F HA 0.500 4.992 4.527 -0.058 0.000 0.341 113 F C -1.871 173.927 175.800 -0.003 0.000 1.192 113 F CA -0.887 57.090 58.000 -0.039 0.000 1.127 113 F CB 1.539 40.512 39.000 -0.045 0.000 1.388 113 F HN 0.608 nan 8.300 nan 0.000 0.574 114 A N 8.339 131.027 122.820 -0.219 0.000 2.654 114 A HA 0.651 4.936 4.320 -0.059 0.000 0.345 114 A C -2.621 174.645 177.584 -0.530 0.000 1.368 114 A CA -1.437 50.437 52.037 -0.273 0.000 0.895 114 A CB -0.355 18.675 19.000 0.051 0.000 1.143 114 A HN 0.408 nan 8.150 nan 0.000 0.490 115 P HA 0.080 nan 4.420 nan 0.000 0.271 115 P C -0.143 176.975 177.300 -0.304 0.000 1.233 115 P CA 0.097 62.708 63.100 -0.816 0.000 0.789 115 P CB 0.838 32.039 31.700 -0.831 0.000 0.951 116 E N -0.267 119.830 120.200 -0.172 0.000 2.391 116 E HA 0.167 4.481 4.350 -0.059 0.000 0.255 116 E C 0.180 176.718 176.600 -0.103 0.000 1.187 116 E CA -0.313 56.029 56.400 -0.097 0.000 0.941 116 E CB 0.222 29.880 29.700 -0.070 0.000 1.010 116 E HN 0.479 nan 8.360 nan 0.000 0.458 117 T N -0.610 113.916 114.554 -0.046 0.000 2.907 117 T HA 0.083 4.398 4.350 -0.059 0.000 0.298 117 T C 0.548 175.169 174.700 -0.131 0.000 1.017 117 T CA -0.613 61.450 62.100 -0.062 0.000 1.118 117 T CB 1.643 70.529 68.868 0.029 0.000 0.948 117 T HN 0.519 nan 8.240 nan 0.000 0.531 118 E N 1.352 121.466 120.200 -0.143 0.000 2.611 118 E HA 0.239 4.553 4.350 -0.059 0.000 0.284 118 E C 0.671 177.183 176.600 -0.146 0.000 0.800 118 E CA -0.035 56.263 56.400 -0.170 0.000 1.264 118 E CB -0.433 29.173 29.700 -0.157 0.000 1.735 118 E HN 0.564 nan 8.360 nan 0.000 0.526 119 L N -0.395 120.758 121.223 -0.117 0.000 4.269 119 L HA -0.206 4.099 4.340 -0.059 0.000 0.431 119 L C 0.225 177.041 176.870 -0.089 0.000 1.139 119 L CA 1.160 55.947 54.840 -0.088 0.000 0.982 119 L CB -1.870 40.156 42.059 -0.056 0.000 1.915 119 L HN 0.375 nan 8.230 nan 0.000 1.015 120 G N -0.548 108.179 108.800 -0.122 0.000 2.460 120 G HA2 0.570 4.494 3.960 -0.059 0.000 0.299 120 G HA3 0.570 4.494 3.960 -0.059 0.000 0.299 120 G C -0.604 174.207 174.900 -0.149 0.000 1.592 120 G CA 0.276 45.298 45.100 -0.129 0.000 1.008 120 G HN 0.323 nan 8.290 nan 0.000 0.513 121 S N 1.686 117.314 115.700 -0.120 0.000 2.775 121 S HA 0.627 5.062 4.470 -0.059 0.000 0.277 121 S C -0.033 174.509 174.600 -0.097 0.000 1.156 121 S CA -0.800 57.328 58.200 -0.120 0.000 1.081 121 S CB 1.540 64.670 63.200 -0.116 0.000 1.054 121 S HN 1.093 nan 8.310 nan 0.000 0.482 122 N N 0.611 119.250 118.700 -0.102 0.000 3.249 122 N HA -0.153 4.552 4.740 -0.059 0.000 0.247 122 N C -0.882 174.575 175.510 -0.089 0.000 1.139 122 N CA 0.814 53.810 53.050 -0.089 0.000 0.713 122 N CB -0.910 37.539 38.487 -0.063 0.000 1.119 122 N HN 0.913 nan 8.380 nan 0.000 0.561 123 E N -1.045 119.085 120.200 -0.116 0.000 2.256 123 E HA 0.504 4.819 4.350 -0.059 0.000 0.267 123 E C 0.280 176.813 176.600 -0.112 0.000 0.892 123 E CA -0.442 55.909 56.400 -0.082 0.000 0.775 123 E CB 0.911 30.562 29.700 -0.081 0.000 1.207 123 E HN 0.324 nan 8.360 nan 0.000 0.420 124 H N 0.786 119.859 119.070 0.003 0.000 2.639 124 H HA 0.167 4.688 4.556 -0.059 0.000 0.267 124 H C 1.506 176.872 175.328 0.064 0.000 0.958 124 H CA 0.787 56.856 56.048 0.035 0.000 1.221 124 H CB 0.789 30.573 29.762 0.037 0.000 1.446 124 H HN 0.446 nan 8.280 nan 0.000 0.512 125 S N 0.486 116.286 115.700 0.167 0.000 2.423 125 S HA -0.122 4.312 4.470 -0.059 0.000 0.231 125 S C 1.696 176.402 174.600 0.177 0.000 1.014 125 S CA 1.056 59.355 58.200 0.164 0.000 0.965 125 S CB -0.011 63.263 63.200 0.123 0.000 0.785 125 S HN 0.362 nan 8.310 nan 0.000 0.495 126 K N -0.167 120.266 120.400 0.055 0.000 2.360 126 K HA -0.007 4.277 4.320 -0.059 0.000 0.201 126 K C 1.501 178.200 176.600 0.166 0.000 1.046 126 K CA 1.473 57.767 56.287 0.013 0.000 0.945 126 K CB -0.082 32.342 32.500 -0.126 0.000 0.750 126 K HN 0.331 nan 8.250 nan 0.000 0.464 127 T N -0.236 114.424 114.554 0.176 0.000 2.987 127 T HA -0.058 4.257 4.350 -0.059 0.000 0.248 127 T C 1.533 176.399 174.700 0.277 0.000 0.997 127 T CA -0.016 62.202 62.100 0.197 0.000 1.013 127 T CB 0.308 69.272 68.868 0.160 0.000 1.077 127 T HN 0.168 nan 8.240 nan 0.000 0.483 128 Q N 0.214 120.198 119.800 0.306 0.000 2.508 128 Q HA -0.061 4.244 4.340 -0.059 0.000 0.214 128 Q C 2.064 178.239 176.000 0.293 0.000 0.979 128 Q CA 1.077 57.075 55.803 0.325 0.000 0.911 128 Q CB -0.334 28.522 28.738 0.197 0.000 0.969 128 Q HN 0.531 nan 8.270 nan 0.000 0.504 129 c N -0.959 117.803 118.600 0.270 0.000 2.469 129 c HA 0.142 4.676 4.570 -0.059 0.000 0.309 129 c C 2.360 176.527 174.090 0.129 0.000 1.385 129 c CA 0.554 57.008 56.329 0.209 0.000 1.890 129 c CB -0.230 42.474 42.510 0.324 0.000 2.245 129 c HN 0.759 nan 8.230 nan 0.000 0.530 130 E N 0.638 120.945 120.200 0.178 0.000 2.072 130 E HA -0.168 4.146 4.350 -0.059 0.000 0.191 130 E C 2.006 178.593 176.600 -0.022 0.000 0.985 130 E CA 1.584 58.044 56.400 0.101 0.000 0.801 130 E CB -0.057 29.759 29.700 0.192 0.000 0.750 130 E HN 0.607 nan 8.360 nan 0.000 0.452 131 E N -0.663 119.496 120.200 -0.068 0.000 2.122 131 E HA -0.117 4.198 4.350 -0.059 0.000 0.190 131 E C 1.364 177.627 176.600 -0.562 0.000 0.977 131 E CA 0.985 57.159 56.400 -0.377 0.000 0.820 131 E CB 0.027 29.348 29.700 -0.631 0.000 0.770 131 E HN 0.517 nan 8.360 nan 0.000 0.462 132 Y N -1.192 119.115 120.300 0.010 0.000 2.453 132 Y HA 0.214 4.728 4.550 -0.059 0.000 0.247 132 Y C 0.791 176.668 175.900 -0.037 0.000 1.124 132 Y CA -0.497 57.597 58.100 -0.010 0.000 1.243 132 Y CB 0.109 38.569 38.460 0.000 0.000 1.213 132 Y HN -0.066 nan 8.280 nan 0.000 0.523 133 c N 1.707 120.348 118.600 0.069 0.000 4.454 133 c HA -0.161 4.373 4.570 -0.059 0.000 0.298 133 c C 0.129 174.213 174.090 -0.010 0.000 1.384 133 c CA -1.064 55.253 56.329 -0.020 0.000 2.002 133 c CB -2.999 39.452 42.510 -0.098 0.000 1.249 133 c HN 0.230 nan 8.230 nan 0.000 0.783 134 I N 1.317 121.914 120.570 0.044 0.000 2.379 134 I HA 0.201 4.335 4.170 -0.059 0.000 0.290 134 I C 0.725 176.828 176.117 -0.024 0.000 1.063 134 I CA 0.524 61.827 61.300 0.005 0.000 1.351 134 I CB 0.214 38.228 38.000 0.024 0.000 1.410 134 I HN 0.540 nan 8.210 nan 0.000 0.505 135 Q N 4.635 124.370 119.800 -0.108 0.000 2.364 135 Q HA 0.507 4.811 4.340 -0.059 0.000 0.267 135 Q C -0.150 175.762 176.000 -0.146 0.000 0.999 135 Q CA -0.048 55.631 55.803 -0.207 0.000 0.886 135 Q CB 1.009 29.485 28.738 -0.436 0.000 1.243 135 Q HN 0.964 nan 8.270 nan 0.000 0.415 136 G N 2.881 111.672 108.800 -0.015 0.000 2.378 136 G HA2 0.243 4.167 3.960 -0.059 0.000 0.302 136 G HA3 0.243 4.167 3.960 -0.059 0.000 0.302 136 G C -1.327 173.796 174.900 0.372 0.000 1.669 136 G CA -0.246 44.977 45.100 0.205 0.000 0.920 136 G HN 0.780 nan 8.290 nan 0.000 0.697 137 D N 0.330 120.979 120.400 0.416 0.000 3.574 137 D HA -0.249 4.355 4.640 -0.059 0.000 0.153 137 D C 1.362 177.888 176.300 0.375 0.000 0.965 137 D CA 1.426 55.602 54.000 0.293 0.000 1.047 137 D CB -0.414 40.514 40.800 0.213 0.000 0.492 137 D HN 0.493 nan 8.370 nan 0.000 0.492 138 N N -0.157 118.738 118.700 0.325 0.000 2.515 138 N HA 0.002 4.707 4.740 -0.059 0.000 0.185 138 N C 0.540 176.354 175.510 0.507 0.000 1.109 138 N CA 0.334 53.612 53.050 0.381 0.000 0.903 138 N CB -0.177 38.503 38.487 0.321 0.000 0.969 138 N HN 0.395 nan 8.380 nan 0.000 0.450 139 c N 1.481 120.354 118.600 0.455 0.000 2.415 139 c HA 0.440 4.975 4.570 -0.059 0.000 0.369 139 c C -0.473 173.811 174.090 0.324 0.000 1.279 139 c CA -0.645 55.840 56.329 0.260 0.000 1.886 139 c CB -1.474 41.168 42.510 0.219 0.000 2.468 139 c HN 0.278 nan 8.230 nan 0.000 0.553 140 F N 9.715 129.712 119.950 0.079 0.000 2.959 140 F HA 0.523 5.014 4.527 -0.060 0.000 0.379 140 F C -2.660 173.139 175.800 -0.001 0.000 1.215 140 F CA -2.957 55.104 58.000 0.102 0.000 1.190 140 F CB 0.935 40.204 39.000 0.448 0.000 1.574 140 F HN 0.458 nan 8.300 nan 0.000 0.575 141 P HA 0.396 nan 4.420 nan 0.000 0.279 141 P C -0.410 176.628 177.300 -0.437 0.000 1.252 141 P CA -0.246 62.682 63.100 -0.286 0.000 0.811 141 P CB 1.832 33.396 31.700 -0.228 0.000 1.035 142 I N 2.089 122.411 120.570 -0.414 0.000 2.307 142 I HA 0.180 4.315 4.170 -0.059 0.000 0.287 142 I C 0.536 176.396 176.117 -0.429 0.000 1.054 142 I CA -0.513 60.538 61.300 -0.416 0.000 1.218 142 I CB 0.304 38.105 38.000 -0.330 0.000 1.398 142 I HN 0.070 nan 8.210 nan 0.000 0.475 143 M N 6.005 125.405 119.600 -0.333 0.000 2.238 143 M HA 0.289 4.734 4.480 -0.059 0.000 0.347 143 M C -0.217 175.984 176.300 -0.165 0.000 1.173 143 M CA 0.088 55.210 55.300 -0.297 0.000 1.147 143 M CB -0.153 32.346 32.600 -0.167 0.000 1.547 143 M HN 0.248 nan 8.290 nan 0.000 0.455 144 F N 4.485 124.379 119.950 -0.093 0.000 2.412 144 F HA 0.316 4.808 4.527 -0.060 0.000 0.348 144 F C -1.321 174.440 175.800 -0.065 0.000 1.102 144 F CA -1.652 56.299 58.000 -0.081 0.000 1.196 144 F CB 0.815 39.767 39.000 -0.080 0.000 1.144 144 F HN 0.392 nan 8.300 nan 0.000 0.541 145 P HA 0.117 nan 4.420 nan 0.000 0.278 145 P C -1.162 176.161 177.300 0.038 0.000 1.266 145 P CA -0.784 62.350 63.100 0.056 0.000 0.807 145 P CB 1.221 32.935 31.700 0.024 0.000 1.094 146 K N 1.006 121.416 120.400 0.017 0.000 2.336 146 K HA -0.053 4.231 4.320 -0.059 0.000 0.262 146 K C 0.251 176.844 176.600 -0.012 0.000 0.992 146 K CA 0.433 56.723 56.287 0.004 0.000 0.927 146 K CB -0.529 31.971 32.500 0.001 0.000 0.956 146 K HN 0.511 nan 8.250 nan 0.000 0.495 147 N N 0.130 118.817 118.700 -0.022 0.000 2.753 147 N HA -0.228 4.476 4.740 -0.059 0.000 0.251 147 N C -1.217 174.258 175.510 -0.059 0.000 1.097 147 N CA 1.103 54.132 53.050 -0.034 0.000 0.786 147 N CB -0.917 37.555 38.487 -0.025 0.000 1.137 147 N HN 0.667 nan 8.380 nan 0.000 0.566 148 D N 0.543 120.892 120.400 -0.085 0.000 2.249 148 D HA 0.122 4.726 4.640 -0.059 0.000 0.246 148 D C -1.312 174.863 176.300 -0.209 0.000 1.114 148 D CA -1.966 51.939 54.000 -0.157 0.000 0.854 148 D CB 1.172 41.843 40.800 -0.215 0.000 1.132 148 D HN 0.027 nan 8.370 nan 0.000 0.461 149 P HA -0.043 nan 4.420 nan 0.000 0.239 149 P C 0.660 177.808 177.300 -0.254 0.000 1.184 149 P CA 0.516 63.507 63.100 -0.182 0.000 0.760 149 P CB 0.453 32.073 31.700 -0.132 0.000 0.884 150 K N -0.743 119.382 120.400 -0.458 0.000 2.400 150 K HA 0.125 4.410 4.320 -0.059 0.000 0.194 150 K C 2.033 178.355 176.600 -0.464 0.000 1.033 150 K CA 0.035 55.985 56.287 -0.561 0.000 1.021 150 K CB -0.296 31.673 32.500 -0.884 0.000 0.808 150 K HN 0.108 nan 8.250 nan 0.000 0.505 151 L N 1.245 122.242 121.223 -0.377 0.000 1.994 151 L HA -0.232 4.073 4.340 -0.059 0.000 0.208 151 L C 1.759 178.602 176.870 -0.045 0.000 1.071 151 L CA 1.601 56.389 54.840 -0.087 0.000 0.745 151 L CB -0.177 41.856 42.059 -0.043 0.000 0.892 151 L HN 0.093 nan 8.230 nan 0.000 0.431 152 K N -1.454 118.902 120.400 -0.074 0.000 2.515 152 K HA -0.060 4.224 4.320 -0.059 0.000 0.196 152 K C 1.374 177.947 176.600 -0.045 0.000 1.038 152 K CA 1.216 57.475 56.287 -0.048 0.000 0.967 152 K CB -0.085 32.384 32.500 -0.051 0.000 0.780 152 K HN 0.321 nan 8.250 nan 0.000 0.483 153 T N -0.251 114.264 114.554 -0.065 0.000 2.964 153 T HA 0.079 4.394 4.350 -0.059 0.000 0.250 153 T C 1.429 176.109 174.700 -0.032 0.000 0.982 153 T CA 0.069 62.138 62.100 -0.052 0.000 0.959 153 T CB 0.591 69.416 68.868 -0.072 0.000 1.141 153 T HN 0.118 nan 8.240 nan 0.000 0.494 154 Q N -0.391 119.398 119.800 -0.019 0.000 2.477 154 Q HA 0.471 4.775 4.340 -0.059 0.000 0.252 154 Q C 1.029 177.070 176.000 0.069 0.000 0.869 154 Q CA 0.404 56.220 55.803 0.022 0.000 0.969 154 Q CB 1.705 30.463 28.738 0.034 0.000 1.144 154 Q HN 0.479 nan 8.270 nan 0.000 0.577 155 G N 0.475 109.361 108.800 0.142 0.000 2.366 155 G HA2 -0.050 3.875 3.960 -0.059 0.000 0.190 155 G HA3 -0.050 3.875 3.960 -0.059 0.000 0.190 155 G C -0.917 174.094 174.900 0.184 0.000 1.299 155 G CA -0.492 44.662 45.100 0.091 0.000 1.056 155 G HN -0.038 nan 8.290 nan 0.000 0.468 156 K N -0.501 119.902 120.400 0.005 0.000 2.374 156 K HA 0.470 4.754 4.320 -0.059 0.000 0.202 156 K C 0.227 176.523 176.600 -0.507 0.000 1.040 156 K CA 0.675 56.932 56.287 -0.051 0.000 1.085 156 K CB 0.608 33.078 32.500 -0.051 0.000 0.873 156 K HN 1.013 nan 8.250 nan 0.000 0.539 157 c N -2.307 115.802 118.600 -0.817 0.000 3.259 157 c HA 0.558 5.093 4.570 -0.059 0.000 0.344 157 c C -1.604 171.973 174.090 -0.854 0.000 1.401 157 c CA -1.368 54.306 56.329 -1.092 0.000 1.219 157 c CB 0.706 42.893 42.510 -0.538 0.000 1.521 157 c HN 0.019 nan 8.230 nan 0.000 0.455 158 M N 3.035 122.252 119.600 -0.639 0.000 2.311 158 M HA 0.519 4.964 4.480 -0.059 0.000 0.325 158 M C -2.462 173.727 176.300 -0.184 0.000 1.061 158 M CA -1.526 53.564 55.300 -0.349 0.000 0.957 158 M CB 2.461 34.944 32.600 -0.195 0.000 1.646 158 M HN 0.628 nan 8.290 nan 0.000 0.434 159 P HA 0.205 nan 4.420 nan 0.000 0.271 159 P C -1.427 175.788 177.300 -0.141 0.000 1.218 159 P CA 0.112 63.102 63.100 -0.182 0.000 0.780 159 P CB 0.684 32.318 31.700 -0.110 0.000 0.901 160 F N 2.826 122.417 119.950 -0.600 0.000 2.615 160 F HA 0.550 5.042 4.527 -0.059 0.000 0.312 160 F C -1.947 173.439 175.800 -0.690 0.000 1.119 160 F CA -0.867 56.872 58.000 -0.435 0.000 0.979 160 F CB 1.298 40.127 39.000 -0.285 0.000 1.266 160 F HN 0.100 nan 8.300 nan 0.000 0.444 161 F N 4.490 124.191 119.950 -0.416 0.000 2.532 161 F HA 0.610 5.101 4.527 -0.060 0.000 0.321 161 F C 0.254 175.896 175.800 -0.263 0.000 1.089 161 F CA -0.940 56.973 58.000 -0.146 0.000 0.926 161 F CB 1.758 40.705 39.000 -0.089 0.000 1.168 161 F HN 0.293 nan 8.300 nan 0.000 0.459 162 R N 1.340 122.006 120.500 0.277 0.000 2.734 162 R HA 0.458 4.763 4.340 -0.059 0.000 0.266 162 R C 0.027 176.418 176.300 0.153 0.000 1.044 162 R CA -0.364 55.910 56.100 0.290 0.000 1.128 162 R CB 0.419 30.898 30.300 0.298 0.000 1.010 162 R HN 0.755 nan 8.270 nan 0.000 0.461 163 A N 1.523 124.429 122.820 0.143 0.000 2.425 163 A HA 0.334 4.619 4.320 -0.059 0.000 0.242 163 A C 0.633 178.267 177.584 0.084 0.000 1.077 163 A CA 0.090 52.170 52.037 0.072 0.000 0.781 163 A CB 0.227 19.262 19.000 0.058 0.000 1.020 163 A HN 0.778 nan 8.150 nan 0.000 0.494 164 G N -0.318 108.490 108.800 0.013 0.000 2.554 164 G HA2 0.464 4.388 3.960 -0.059 0.000 0.238 164 G HA3 0.464 4.388 3.960 -0.059 0.000 0.238 164 G C -0.315 174.648 174.900 0.104 0.000 1.259 164 G CA 0.074 45.180 45.100 0.010 0.000 0.843 164 G HN 1.161 nan 8.290 nan 0.000 0.582 165 F N 0.405 120.314 119.950 -0.069 0.000 2.588 165 F HA 0.682 5.173 4.527 -0.059 0.000 0.314 165 F C 0.152 175.930 175.800 -0.037 0.000 1.069 165 F CA -1.679 56.291 58.000 -0.050 0.000 0.931 165 F CB 0.896 39.872 39.000 -0.039 0.000 1.260 165 F HN 0.577 nan 8.300 nan 0.000 0.465 166 V N -0.509 119.469 119.914 0.107 0.000 3.432 166 V HA 0.239 4.323 4.120 -0.059 0.000 0.304 166 V C 0.997 177.071 176.094 -0.033 0.000 1.107 166 V CA -0.714 61.594 62.300 0.014 0.000 1.153 166 V CB 0.030 31.894 31.823 0.068 0.000 1.072 166 V HN 1.445 nan 8.190 nan 0.000 0.485 167 c N -0.117 118.446 118.600 -0.062 0.000 0.178 167 c HA -0.217 4.317 4.570 -0.059 0.000 0.017 167 c C -0.129 173.801 174.090 -0.267 0.000 0.173 167 c CA 1.139 57.395 56.329 -0.121 0.000 0.499 167 c CB -2.966 39.514 42.510 -0.051 0.000 3.212 167 c HN 1.102 nan 8.230 nan 0.000 1.118 168 P HA 0.048 nan 4.420 nan 0.000 0.213 168 P C 0.820 177.799 177.300 -0.536 0.000 1.149 168 P CA 3.522 66.341 63.100 -0.468 0.000 0.829 168 P CB -0.092 31.254 31.700 -0.591 0.000 0.548 169 T N -7.348 106.777 114.554 -0.715 0.000 3.862 169 T HA 0.052 4.367 4.350 -0.059 0.000 0.336 169 T C -2.541 171.896 174.700 -0.438 0.000 0.879 169 T CA -0.237 61.395 62.100 -0.780 0.000 1.162 169 T CB -2.034 66.602 68.868 -0.387 0.000 1.015 169 T HN 0.086 nan 8.240 nan 0.000 0.597 170 P HA -0.014 nan 4.420 nan 0.000 0.278 170 P C -1.854 175.564 177.300 0.197 0.000 1.369 170 P CA -0.237 62.861 63.100 -0.004 0.000 0.994 170 P CB -0.376 31.292 31.700 -0.053 0.000 0.984 171 P HA -0.220 nan 4.420 nan 0.000 0.205 171 P C 0.008 177.474 177.300 0.276 0.000 1.046 171 P CA 1.564 64.771 63.100 0.177 0.000 0.968 171 P CB -0.344 31.428 31.700 0.121 0.000 0.753 172 Y N -2.804 117.541 120.300 0.075 0.000 2.502 172 Y HA -0.235 4.279 4.550 -0.059 0.000 0.047 172 Y C 0.093 175.976 175.900 -0.028 0.000 1.698 172 Y CA 0.292 58.438 58.100 0.076 0.000 1.422 172 Y CB -1.286 37.315 38.460 0.236 0.000 2.067 172 Y HN 0.303 nan 8.280 nan 0.000 0.253 173 Q N -0.163 119.165 119.800 -0.788 0.000 2.833 173 Q HA 0.798 5.103 4.340 -0.059 0.000 0.340 173 Q C 0.119 175.685 176.000 -0.723 0.000 0.800 173 Q CA -0.537 54.851 55.803 -0.691 0.000 0.821 173 Q CB 1.746 30.180 28.738 -0.507 0.000 1.340 173 Q HN 0.959 nan 8.270 nan 0.000 0.515 174 S N -1.096 114.334 115.700 -0.450 0.000 4.001 174 S HA -0.175 4.259 4.470 -0.059 0.000 0.628 174 S C -0.094 174.402 174.600 -0.174 0.000 2.073 174 S CA 0.622 58.654 58.200 -0.280 0.000 3.995 174 S CB -1.284 61.756 63.200 -0.266 0.000 0.226 174 S HN 0.596 nan 8.310 nan 0.000 0.729 175 L N 2.691 123.857 121.223 -0.094 0.000 2.416 175 L HA 0.576 4.881 4.340 -0.059 0.000 0.212 175 L C 0.911 177.743 176.870 -0.063 0.000 1.200 175 L CA 0.928 55.746 54.840 -0.037 0.000 0.841 175 L CB -0.555 41.522 42.059 0.030 0.000 1.299 175 L HN 0.954 nan 8.230 nan 0.000 0.538 176 A N 0.953 123.767 122.820 -0.010 0.000 2.445 176 A HA 0.270 4.554 4.320 -0.059 0.000 0.242 176 A C 0.059 177.641 177.584 -0.002 0.000 1.075 176 A CA -0.248 51.789 52.037 0.001 0.000 0.777 176 A CB -0.137 18.924 19.000 0.102 0.000 1.013 176 A HN 0.674 nan 8.150 nan 0.000 0.493 177 R N 1.497 121.935 120.500 -0.104 0.000 2.370 177 R HA 0.175 4.480 4.340 -0.059 0.000 0.309 177 R C -0.806 175.550 176.300 0.094 0.000 1.059 177 R CA 0.251 56.271 56.100 -0.134 0.000 0.981 177 R CB 0.264 30.260 30.300 -0.507 0.000 0.972 177 R HN 0.676 nan 8.270 nan 0.000 0.437 178 E N 3.968 124.239 120.200 0.118 0.000 2.158 178 E HA 0.143 4.457 4.350 -0.059 0.000 0.271 178 E C -0.740 175.937 176.600 0.128 0.000 0.911 178 E CA -0.982 55.500 56.400 0.136 0.000 0.767 178 E CB 1.822 31.602 29.700 0.133 0.000 1.120 178 E HN 0.508 nan 8.360 nan 0.000 0.405 179 Q N 1.119 120.960 119.800 0.068 0.000 2.368 179 Q HA 0.380 4.684 4.340 -0.059 0.000 0.237 179 Q C 0.169 176.196 176.000 0.044 0.000 0.987 179 Q CA -0.042 55.770 55.803 0.014 0.000 0.896 179 Q CB 0.914 29.560 28.738 -0.152 0.000 1.241 179 Q HN 0.467 nan 8.270 nan 0.000 0.485 180 I N 1.475 122.051 120.570 0.011 0.000 2.499 180 I HA 0.205 4.340 4.170 -0.059 0.000 0.296 180 I C 0.042 176.145 176.117 -0.022 0.000 0.992 180 I CA -0.723 60.569 61.300 -0.012 0.000 1.297 180 I CB 1.073 39.039 38.000 -0.056 0.000 1.410 180 I HN 0.482 nan 8.210 nan 0.000 0.507 181 N N 4.082 122.779 118.700 -0.005 0.000 2.469 181 N HA 0.348 5.052 4.740 -0.059 0.000 0.253 181 N C 0.186 175.704 175.510 0.014 0.000 0.970 181 N CA -0.359 52.695 53.050 0.007 0.000 0.940 181 N CB 1.788 40.288 38.487 0.021 0.000 1.128 181 N HN 0.703 nan 8.380 nan 0.000 0.503 182 A N 2.542 125.367 122.820 0.009 0.000 2.235 182 A HA 0.176 4.460 4.320 -0.059 0.000 0.208 182 A C 0.665 178.337 177.584 0.146 0.000 1.172 182 A CA 0.519 52.596 52.037 0.065 0.000 0.786 182 A CB -0.380 18.648 19.000 0.046 0.000 0.804 182 A HN 0.518 nan 8.150 nan 0.000 0.479 183 V N -3.820 116.177 119.914 0.137 0.000 3.158 183 V HA 0.768 4.853 4.120 -0.059 0.000 0.311 183 V C -0.042 176.105 176.094 0.087 0.000 1.181 183 V CA -0.283 62.094 62.300 0.127 0.000 1.054 183 V CB 1.078 32.985 31.823 0.140 0.000 1.085 183 V HN 0.334 nan 8.190 nan 0.000 0.446 184 T N -0.732 113.880 114.554 0.097 0.000 2.884 184 T HA 0.312 4.626 4.350 -0.059 0.000 0.298 184 T C 0.981 175.670 174.700 -0.019 0.000 0.998 184 T CA 0.393 62.539 62.100 0.077 0.000 1.124 184 T CB 1.004 69.994 68.868 0.204 0.000 0.931 184 T HN 0.833 nan 8.240 nan 0.000 0.531 185 S N 1.491 117.047 115.700 -0.240 0.000 2.423 185 S HA 0.093 4.528 4.470 -0.059 0.000 0.231 185 S C 0.373 174.788 174.600 -0.310 0.000 1.014 185 S CA 0.388 58.386 58.200 -0.337 0.000 0.965 185 S CB -0.547 62.364 63.200 -0.481 0.000 0.785 185 S HN 0.708 nan 8.310 nan 0.000 0.495 186 F N 1.415 121.449 119.950 0.141 0.000 2.518 186 F HA 0.198 4.688 4.527 -0.061 0.000 0.359 186 F C 0.681 176.608 175.800 0.211 0.000 1.118 186 F CA -0.535 57.579 58.000 0.190 0.000 1.287 186 F CB 0.258 39.377 39.000 0.200 0.000 1.132 186 F HN 0.001 nan 8.300 nan 0.000 0.587 187 L N 4.362 125.849 121.223 0.440 0.000 2.451 187 L HA 0.047 4.352 4.340 -0.059 0.000 0.272 187 L C -0.031 177.048 176.870 0.348 0.000 1.258 187 L CA 0.054 55.127 54.840 0.390 0.000 1.132 187 L CB -0.555 41.805 42.059 0.503 0.000 1.361 187 L HN 0.745 nan 8.230 nan 0.000 0.438 188 D N 1.771 122.349 120.400 0.297 0.000 2.571 188 D HA 0.169 4.773 4.640 -0.059 0.000 0.239 188 D C 0.794 177.227 176.300 0.222 0.000 1.267 188 D CA 0.202 54.349 54.000 0.245 0.000 0.823 188 D CB 0.587 41.527 40.800 0.234 0.000 1.056 188 D HN 0.321 nan 8.370 nan 0.000 0.494 189 A N 0.654 123.601 122.820 0.211 0.000 2.860 189 A HA -0.258 4.027 4.320 -0.059 0.000 0.267 189 A C 1.790 179.491 177.584 0.195 0.000 1.421 189 A CA 1.162 53.315 52.037 0.194 0.000 0.831 189 A CB -2.637 16.537 19.000 0.289 0.000 1.041 189 A HN 0.805 nan 8.150 nan 0.000 0.623 190 S N -0.509 115.294 115.700 0.172 0.000 2.500 190 S HA -0.062 4.372 4.470 -0.059 0.000 0.239 190 S C 1.649 176.292 174.600 0.071 0.000 0.989 190 S CA 1.292 59.583 58.200 0.152 0.000 0.951 190 S CB -0.829 62.455 63.200 0.141 0.000 0.759 190 S HN 1.807 nan 8.310 nan 0.000 0.523 191 L N -1.436 119.803 121.223 0.028 0.000 2.492 191 L HA 0.306 4.611 4.340 -0.059 0.000 0.223 191 L C 1.809 178.674 176.870 -0.009 0.000 1.132 191 L CA 0.376 55.222 54.840 0.009 0.000 0.850 191 L CB -0.257 41.798 42.059 -0.007 0.000 0.966 191 L HN 0.159 nan 8.230 nan 0.000 0.454 192 V N -0.648 119.171 119.914 -0.157 0.000 2.672 192 V HA -0.060 4.024 4.120 -0.059 0.000 0.242 192 V C 1.916 177.720 176.094 -0.482 0.000 1.059 192 V CA 1.172 63.250 62.300 -0.369 0.000 1.081 192 V CB -0.362 31.057 31.823 -0.673 0.000 0.752 192 V HN 0.388 nan 8.190 nan 0.000 0.472 193 Y N 0.759 121.039 120.300 -0.033 0.000 2.490 193 Y HA 0.502 5.011 4.550 -0.068 0.000 0.285 193 Y C 1.397 177.288 175.900 -0.014 0.000 1.117 193 Y CA 0.663 58.751 58.100 -0.020 0.000 1.262 193 Y CB 0.189 38.640 38.460 -0.016 0.000 1.043 193 Y HN 0.348 nan 8.280 nan 0.000 0.553 194 G N -0.385 108.454 108.800 0.065 0.000 2.619 194 G HA2 -0.148 3.777 3.960 -0.059 0.000 0.686 194 G HA3 -0.148 3.777 3.960 -0.059 0.000 0.686 194 G C 0.162 175.099 174.900 0.062 0.000 1.256 194 G CA -0.222 44.881 45.100 0.005 0.000 0.826 194 G HN -0.009 nan 8.290 nan 0.000 0.619 195 S N -0.008 115.719 115.700 0.046 0.000 2.603 195 S HA 0.274 4.709 4.470 -0.059 0.000 0.232 195 S C 0.485 175.131 174.600 0.077 0.000 1.016 195 S CA 0.540 58.788 58.200 0.080 0.000 0.976 195 S CB 0.264 63.520 63.200 0.094 0.000 0.921 195 S HN 0.560 nan 8.310 nan 0.000 0.516 196 E N 1.977 122.215 120.200 0.064 0.000 2.199 196 E HA 0.378 4.693 4.350 -0.059 0.000 0.269 196 E C -2.711 173.917 176.600 0.048 0.000 0.899 196 E CA -2.379 54.058 56.400 0.061 0.000 0.772 196 E CB 1.383 31.126 29.700 0.072 0.000 1.155 196 E HN 0.028 nan 8.360 nan 0.000 0.408 200 A N -0.343 122.483 122.820 0.010 0.000 1.997 200 A HA -0.236 4.048 4.320 -0.059 0.000 0.221 200 A C 2.299 179.866 177.584 -0.029 0.000 1.172 200 A CA 2.744 54.801 52.037 0.032 0.000 0.645 200 A CB -0.858 18.185 19.000 0.072 0.000 0.813 200 A HN 0.546 nan 8.150 nan 0.000 0.454 201 S N -1.203 114.470 115.700 -0.045 0.000 2.377 201 S HA -0.108 4.326 4.470 -0.059 0.000 0.223 201 S C 2.171 176.736 174.600 -0.060 0.000 1.030 201 S CA 1.101 59.254 58.200 -0.078 0.000 0.970 201 S CB -0.324 62.842 63.200 -0.057 0.000 0.830 201 S HN 0.656 nan 8.310 nan 0.000 0.473 202 R N 0.055 120.538 120.500 -0.029 0.000 2.105 202 R HA -0.042 4.262 4.340 -0.059 0.000 0.239 202 R C 1.923 178.209 176.300 -0.024 0.000 1.135 202 R CA 1.364 57.454 56.100 -0.016 0.000 0.967 202 R CB -0.405 29.898 30.300 0.005 0.000 0.861 202 R HN 0.348 nan 8.270 nan 0.000 0.442 203 L N 0.901 122.104 121.223 -0.033 0.000 2.275 203 L HA -0.011 4.294 4.340 -0.059 0.000 0.215 203 L C 0.545 177.393 176.870 -0.038 0.000 1.119 203 L CA 1.389 56.206 54.840 -0.037 0.000 0.790 203 L CB -0.322 41.716 42.059 -0.035 0.000 0.919 203 L HN 0.099 nan 8.230 nan 0.000 0.443 204 R N -0.361 120.102 120.500 -0.062 0.000 2.532 204 R HA 0.199 4.503 4.340 -0.059 0.000 0.272 204 R C 0.059 176.332 176.300 -0.045 0.000 1.032 204 R CA -0.620 55.434 56.100 -0.077 0.000 1.089 204 R CB 0.360 30.538 30.300 -0.202 0.000 1.098 204 R HN -0.106 nan 8.270 nan 0.000 0.526 205 N N 2.807 121.496 118.700 -0.018 0.000 2.645 205 N HA 0.092 4.796 4.740 -0.059 0.000 0.233 205 N C -0.252 175.253 175.510 -0.008 0.000 1.058 205 N CA -0.081 52.971 53.050 0.002 0.000 0.942 205 N CB 0.441 38.947 38.487 0.032 0.000 1.210 205 N HN 0.541 nan 8.380 nan 0.000 0.512 206 L N 1.300 122.510 121.223 -0.023 0.000 2.685 206 L HA 0.187 4.492 4.340 -0.059 0.000 0.233 206 L C 1.421 178.287 176.870 -0.006 0.000 1.173 206 L CA -0.105 54.719 54.840 -0.027 0.000 0.961 206 L CB -0.012 42.020 42.059 -0.045 0.000 1.217 206 L HN 0.313 nan 8.230 nan 0.000 0.478 207 S N -0.338 115.365 115.700 0.006 0.000 2.355 207 S HA -0.012 4.423 4.470 -0.059 0.000 0.216 207 S C 1.117 175.728 174.600 0.019 0.000 1.037 207 S CA 0.423 58.632 58.200 0.014 0.000 0.955 207 S CB 0.133 63.346 63.200 0.022 0.000 0.877 207 S HN 0.563 nan 8.310 nan 0.000 0.488 208 S N 2.781 118.496 115.700 0.025 0.000 2.565 208 S HA 0.323 4.757 4.470 -0.059 0.000 0.276 208 S C -2.555 172.061 174.600 0.027 0.000 1.326 208 S CA -1.093 57.125 58.200 0.029 0.000 1.045 208 S CB 0.857 64.080 63.200 0.038 0.000 0.918 208 S HN 0.176 nan 8.310 nan 0.000 0.505 209 P HA 0.353 nan 4.420 nan 0.000 0.240 209 P C -0.182 177.143 177.300 0.042 0.000 1.854 209 P CA -0.274 62.845 63.100 0.030 0.000 1.081 209 P CB -0.315 31.404 31.700 0.031 0.000 1.646 210 L N -1.394 119.857 121.223 0.046 0.000 2.808 210 L HA 0.420 4.724 4.340 -0.059 0.000 0.246 210 L C 1.448 178.358 176.870 0.068 0.000 1.153 210 L CA 0.280 55.152 54.840 0.053 0.000 0.956 210 L CB -0.321 41.764 42.059 0.044 0.000 1.270 210 L HN 0.129 nan 8.230 nan 0.000 0.528 211 G N 1.075 109.924 108.800 0.081 0.000 2.179 211 G HA2 -0.281 3.643 3.960 -0.059 0.000 0.257 211 G HA3 -0.281 3.643 3.960 -0.059 0.000 0.257 211 G C 0.122 175.167 174.900 0.243 0.000 1.010 211 G CA 0.253 45.438 45.100 0.141 0.000 0.736 211 G HN 0.251 nan 8.290 nan 0.000 0.513 212 L N -0.376 120.955 121.223 0.180 0.000 2.454 212 L HA 0.677 4.981 4.340 -0.059 0.000 0.256 212 L C 1.183 178.196 176.870 0.238 0.000 1.136 212 L CA -1.014 53.968 54.840 0.236 0.000 0.804 212 L CB 0.476 42.610 42.059 0.126 0.000 1.181 212 L HN 0.006 nan 8.230 nan 0.000 0.469 213 M N 1.122 120.870 119.600 0.247 0.000 2.314 213 M HA 0.357 4.801 4.480 -0.059 0.000 0.342 213 M C 0.021 176.347 176.300 0.043 0.000 1.171 213 M CA -0.598 54.760 55.300 0.096 0.000 1.098 213 M CB 1.334 33.943 32.600 0.016 0.000 1.559 213 M HN 0.683 nan 8.290 nan 0.000 0.459 214 A N 3.103 125.924 122.820 0.003 0.000 2.488 214 A HA 0.471 4.756 4.320 -0.059 0.000 0.249 214 A C 0.154 177.708 177.584 -0.051 0.000 1.083 214 A CA -0.500 51.530 52.037 -0.012 0.000 0.768 214 A CB -0.185 18.807 19.000 -0.015 0.000 1.017 214 A HN 0.756 nan 8.150 nan 0.000 0.496 215 V N 1.487 121.361 119.914 -0.067 0.000 3.093 215 V HA 0.511 4.596 4.120 -0.059 0.000 0.320 215 V C 0.496 176.470 176.094 -0.200 0.000 1.093 215 V CA -1.440 60.761 62.300 -0.166 0.000 1.016 215 V CB 1.361 33.040 31.823 -0.239 0.000 1.096 215 V HN 0.870 nan 8.190 nan 0.000 0.452 216 N N 1.223 119.726 118.700 -0.327 0.000 2.479 216 N HA 0.121 4.825 4.740 -0.059 0.000 0.257 216 N C 0.283 175.617 175.510 -0.294 0.000 1.232 216 N CA 0.047 52.894 53.050 -0.337 0.000 0.920 216 N CB 1.407 39.625 38.487 -0.448 0.000 1.105 216 N HN 0.791 nan 8.380 nan 0.000 0.444 217 Q N 1.245 120.997 119.800 -0.079 0.000 2.316 217 Q HA 0.113 4.417 4.340 -0.059 0.000 0.235 217 Q C 0.446 176.563 176.000 0.196 0.000 0.863 217 Q CA 0.331 56.202 55.803 0.114 0.000 0.939 217 Q CB 0.457 29.279 28.738 0.140 0.000 1.108 217 Q HN 0.633 nan 8.270 nan 0.000 0.522 218 E N 0.641 120.936 120.200 0.157 0.000 2.385 218 E HA 0.225 4.540 4.350 -0.059 0.000 0.194 218 E C 0.278 177.040 176.600 0.270 0.000 1.013 218 E CA 0.251 56.800 56.400 0.249 0.000 0.866 218 E CB 0.728 30.645 29.700 0.361 0.000 0.832 218 E HN 0.148 nan 8.360 nan 0.000 0.500 219 A N 0.080 123.005 122.820 0.174 0.000 2.594 219 A HA 0.600 4.885 4.320 -0.059 0.000 0.295 219 A C -1.879 175.726 177.584 0.035 0.000 1.071 219 A CA -0.765 51.430 52.037 0.263 0.000 0.685 219 A CB 0.947 20.145 19.000 0.330 0.000 1.285 219 A HN 0.065 nan 8.150 nan 0.000 0.405 220 W N -0.219 121.181 121.300 0.168 0.000 2.975 220 W HA 0.598 5.221 4.660 -0.062 0.000 0.342 220 W C -0.874 175.496 176.519 -0.248 0.000 1.168 220 W CA -0.001 57.284 57.345 -0.101 0.000 1.141 220 W CB 1.764 31.195 29.460 -0.049 0.000 1.445 220 W HN 0.641 nan 8.180 nan 0.000 0.560 221 D N 0.569 120.760 120.400 -0.349 0.000 2.456 221 D HA 0.199 4.804 4.640 -0.059 0.000 0.287 221 D C -0.515 175.803 176.300 0.029 0.000 1.186 221 D CA -0.317 53.494 54.000 -0.316 0.000 0.916 221 D CB -0.568 39.733 40.800 -0.833 0.000 1.029 221 D HN 0.466 nan 8.370 nan 0.000 0.498 222 H N 1.490 120.598 119.070 0.064 0.000 2.748 222 H HA -0.114 4.407 4.556 -0.058 0.000 0.322 222 H C 1.482 176.884 175.328 0.124 0.000 1.208 222 H CA 0.891 57.004 56.048 0.108 0.000 1.151 222 H CB -1.628 28.244 29.762 0.183 0.000 1.505 222 H HN 0.670 nan 8.280 nan 0.000 0.429 223 G N -1.741 107.191 108.800 0.220 0.000 2.212 223 G HA2 -0.334 3.591 3.960 -0.059 0.000 0.266 223 G HA3 -0.334 3.591 3.960 -0.059 0.000 0.266 223 G C 0.385 175.457 174.900 0.287 0.000 0.978 223 G CA 0.364 45.530 45.100 0.110 0.000 0.632 223 G HN 0.585 nan 8.290 nan 0.000 0.537 224 L N 0.647 122.014 121.223 0.240 0.000 2.399 224 L HA 0.760 5.065 4.340 -0.059 0.000 0.265 224 L C 1.124 177.983 176.870 -0.018 0.000 1.089 224 L CA -0.487 54.398 54.840 0.076 0.000 0.802 224 L CB 1.354 43.317 42.059 -0.161 0.000 1.180 224 L HN 0.290 nan 8.230 nan 0.000 0.454 225 A N 1.431 124.142 122.820 -0.181 0.000 2.313 225 A HA 0.544 4.829 4.320 -0.059 0.000 0.261 225 A C -1.042 176.243 177.584 -0.499 0.000 1.090 225 A CA 0.035 51.778 52.037 -0.490 0.000 0.807 225 A CB 0.350 19.163 19.000 -0.313 0.000 1.055 225 A HN 0.625 nan 8.150 nan 0.000 0.492 226 Y N -1.025 118.965 120.300 -0.516 0.000 2.605 226 Y HA 0.454 4.968 4.550 -0.060 0.000 0.343 226 Y C -0.055 175.560 175.900 -0.475 0.000 1.036 226 Y CA -1.084 56.729 58.100 -0.480 0.000 1.065 226 Y CB 1.784 39.983 38.460 -0.435 0.000 1.288 226 Y HN 0.544 nan 8.280 nan 0.000 0.481 227 L N 4.354 125.352 121.223 -0.376 0.000 2.452 227 L HA 0.223 4.528 4.340 -0.059 0.000 0.267 227 L C -2.149 174.624 176.870 -0.162 0.000 1.188 227 L CA -1.766 52.900 54.840 -0.291 0.000 0.821 227 L CB 0.063 41.898 42.059 -0.375 0.000 1.102 227 L HN 0.265 nan 8.230 nan 0.000 0.470 228 P HA 0.042 nan 4.420 nan 0.000 0.272 228 P C -0.844 176.460 177.300 0.006 0.000 1.230 228 P CA -0.114 62.924 63.100 -0.104 0.000 0.788 228 P CB 0.406 32.082 31.700 -0.039 0.000 0.949 229 F N 0.582 120.580 119.950 0.080 0.000 2.382 229 F HA 0.239 4.732 4.527 -0.057 0.000 0.331 229 F C 1.441 177.253 175.800 0.020 0.000 1.121 229 F CA -0.132 57.883 58.000 0.023 0.000 1.183 229 F CB -0.080 38.907 39.000 -0.022 0.000 1.207 229 F HN 0.247 nan 8.300 nan 0.000 0.555 230 N N 1.754 120.592 118.700 0.230 0.000 2.514 230 N HA 0.030 4.734 4.740 -0.059 0.000 0.277 230 N C 0.874 176.442 175.510 0.097 0.000 1.126 230 N CA 0.030 53.164 53.050 0.141 0.000 0.978 230 N CB 0.506 39.068 38.487 0.125 0.000 1.106 230 N HN 0.483 nan 8.380 nan 0.000 0.461 231 N N 2.430 121.179 118.700 0.082 0.000 2.061 231 N HA -0.150 4.554 4.740 -0.059 0.000 0.193 231 N C -0.421 175.103 175.510 0.022 0.000 1.030 231 N CA 1.228 54.308 53.050 0.050 0.000 0.856 231 N CB -0.126 38.389 38.487 0.047 0.000 1.023 231 N HN 0.564 nan 8.380 nan 0.000 0.424 232 K N 1.473 121.885 120.400 0.022 0.000 2.447 232 K HA 0.041 4.325 4.320 -0.059 0.000 0.281 232 K C -0.414 176.175 176.600 -0.018 0.000 1.031 232 K CA 0.526 56.811 56.287 -0.004 0.000 1.019 232 K CB 0.457 32.950 32.500 -0.010 0.000 0.918 232 K HN 0.149 nan 8.250 nan 0.000 0.476 233 K N 4.071 124.454 120.400 -0.028 0.000 2.378 233 K HA 0.339 4.623 4.320 -0.059 0.000 0.252 233 K C -2.229 174.347 176.600 -0.040 0.000 0.931 233 K CA -1.767 54.501 56.287 -0.031 0.000 0.794 233 K CB 1.722 34.205 32.500 -0.029 0.000 1.181 233 K HN 0.532 nan 8.250 nan 0.000 0.425 234 P HA 0.062 nan 4.420 nan 0.000 0.276 234 P C -0.688 176.590 177.300 -0.038 0.000 1.243 234 P CA -0.201 62.880 63.100 -0.032 0.000 0.768 234 P CB 1.174 32.854 31.700 -0.035 0.000 0.856 235 S N 3.559 119.249 115.700 -0.016 0.000 2.508 235 S HA 0.404 4.839 4.470 -0.059 0.000 0.284 235 S C -1.595 173.014 174.600 0.015 0.000 1.192 235 S CA -1.533 56.661 58.200 -0.011 0.000 1.070 235 S CB 0.921 64.111 63.200 -0.018 0.000 1.004 235 S HN 0.220 nan 8.310 nan 0.000 0.493 236 P HA 0.129 nan 4.420 nan 0.000 0.222 236 P C 1.066 178.406 177.300 0.067 0.000 1.153 236 P CA 0.502 63.595 63.100 -0.012 0.000 0.798 236 P CB -0.047 31.527 31.700 -0.210 0.000 0.796 237 c N 0.477 119.133 118.600 0.093 0.000 2.432 237 c HA -0.082 4.453 4.570 -0.059 0.000 0.280 237 c C 2.354 176.493 174.090 0.082 0.000 1.353 237 c CA 0.963 57.359 56.329 0.112 0.000 1.766 237 c CB -1.522 41.025 42.510 0.062 0.000 1.924 237 c HN 0.415 nan 8.230 nan 0.000 0.509 238 E N -0.237 119.991 120.200 0.046 0.000 2.442 238 E HA -0.081 4.233 4.350 -0.059 0.000 0.195 238 E C 1.780 178.408 176.600 0.048 0.000 1.030 238 E CA 0.403 56.808 56.400 0.008 0.000 0.869 238 E CB -0.450 29.220 29.700 -0.050 0.000 0.857 238 E HN 0.666 nan 8.360 nan 0.000 0.505 239 F N 3.101 123.031 119.950 -0.034 0.000 2.163 239 F HA -0.025 4.467 4.527 -0.060 0.000 0.297 239 F C 2.122 177.918 175.800 -0.006 0.000 1.094 239 F CA 1.216 59.211 58.000 -0.008 0.000 1.290 239 F CB -0.008 39.018 39.000 0.044 0.000 1.017 239 F HN 0.014 nan 8.300 nan 0.000 0.483 240 I N -1.065 119.629 120.570 0.207 0.000 3.083 240 I HA -0.069 4.065 4.170 -0.059 0.000 0.273 240 I C 0.128 176.234 176.117 -0.018 0.000 1.297 240 I CA 1.059 62.435 61.300 0.127 0.000 1.452 240 I CB -0.550 37.538 38.000 0.147 0.000 1.078 240 I HN 0.212 nan 8.210 nan 0.000 0.484 241 N N 0.863 119.492 118.700 -0.119 0.000 2.839 241 N HA 0.018 4.722 4.740 -0.059 0.000 0.230 241 N C 0.779 176.137 175.510 -0.254 0.000 1.388 241 N CA 0.562 53.450 53.050 -0.270 0.000 0.747 241 N CB 0.683 38.840 38.487 -0.550 0.000 1.411 241 N HN 0.277 nan 8.380 nan 0.000 0.556 242 T N -1.839 112.570 114.554 -0.242 0.000 2.897 242 T HA -0.134 4.180 4.350 -0.059 0.000 0.271 242 T C 1.470 176.062 174.700 -0.181 0.000 1.084 242 T CA 1.861 63.843 62.100 -0.197 0.000 1.123 242 T CB -0.159 68.587 68.868 -0.204 0.000 0.865 242 T HN 0.271 nan 8.240 nan 0.000 0.496 243 T N 2.243 116.665 114.554 -0.220 0.000 2.698 243 T HA 0.203 4.517 4.350 -0.059 0.000 0.260 243 T C 2.483 177.058 174.700 -0.209 0.000 1.044 243 T CA 1.086 63.062 62.100 -0.207 0.000 1.149 243 T CB -0.834 67.893 68.868 -0.235 0.000 0.864 243 T HN 0.579 nan 8.240 nan 0.000 0.419 244 A N 0.624 123.270 122.820 -0.291 0.000 2.119 244 A HA 0.124 4.409 4.320 -0.059 0.000 0.217 244 A C 1.177 178.671 177.584 -0.151 0.000 1.153 244 A CA 0.454 52.349 52.037 -0.237 0.000 0.692 244 A CB -0.597 18.186 19.000 -0.363 0.000 0.799 244 A HN 0.492 nan 8.150 nan 0.000 0.458 245 R N -1.295 119.110 120.500 -0.157 0.000 3.158 245 R HA -0.146 4.158 4.340 -0.059 0.000 0.244 245 R C -1.201 175.003 176.300 -0.161 0.000 0.900 245 R CA 0.578 56.596 56.100 -0.136 0.000 0.618 245 R CB -1.732 28.494 30.300 -0.123 0.000 1.061 245 R HN 0.235 nan 8.270 nan 0.000 0.471 246 V N 2.254 122.088 119.914 -0.133 0.000 2.384 246 V HA 0.372 4.456 4.120 -0.059 0.000 0.287 246 V C -1.326 174.627 176.094 -0.235 0.000 1.020 246 V CA -1.536 60.640 62.300 -0.206 0.000 0.850 246 V CB 1.753 33.559 31.823 -0.028 0.000 0.987 246 V HN 0.219 nan 8.190 nan 0.000 0.436 247 P HA 0.225 nan 4.420 nan 0.000 0.275 247 P C -0.221 176.952 177.300 -0.212 0.000 1.266 247 P CA -0.386 62.548 63.100 -0.276 0.000 0.793 247 P CB 0.891 32.387 31.700 -0.339 0.000 1.074 248 c N -0.610 117.929 118.600 -0.102 0.000 2.553 248 c HA 0.386 4.921 4.570 -0.059 0.000 0.345 248 c C 0.888 174.902 174.090 -0.127 0.000 1.369 248 c CA -0.250 56.006 56.329 -0.122 0.000 2.447 248 c CB -0.993 41.552 42.510 0.059 0.000 2.358 248 c HN 0.399 nan 8.230 nan 0.000 0.676 249 F N 0.685 120.690 119.950 0.091 0.000 2.379 249 F HA 0.472 4.966 4.527 -0.055 0.000 0.332 249 F C 0.238 176.026 175.800 -0.020 0.000 1.096 249 F CA -0.677 57.331 58.000 0.014 0.000 1.105 249 F CB 0.639 39.580 39.000 -0.097 0.000 1.189 249 F HN 0.239 nan 8.300 nan 0.000 0.515 250 L N 3.202 124.527 121.223 0.171 0.000 2.257 250 L HA 0.731 5.036 4.340 -0.059 0.000 0.290 250 L C -0.415 176.425 176.870 -0.050 0.000 1.044 250 L CA -0.051 54.822 54.840 0.055 0.000 0.810 250 L CB -0.116 41.980 42.059 0.060 0.000 1.193 250 L HN 0.683 nan 8.230 nan 0.000 0.425 251 A N 3.253 125.981 122.820 -0.154 0.000 2.524 251 A HA 0.673 4.957 4.320 -0.059 0.000 0.286 251 A C 0.958 178.380 177.584 -0.271 0.000 1.203 251 A CA -0.135 51.761 52.037 -0.236 0.000 0.736 251 A CB 0.531 19.274 19.000 -0.428 0.000 1.322 251 A HN 0.777 nan 8.150 nan 0.000 0.424 252 G N -0.763 107.914 108.800 -0.206 0.000 2.469 252 G HA2 -0.014 3.910 3.960 -0.059 0.000 0.220 252 G HA3 -0.014 3.910 3.960 -0.059 0.000 0.220 252 G C 0.323 175.063 174.900 -0.267 0.000 1.136 252 G CA 1.677 46.665 45.100 -0.187 0.000 0.759 252 G HN 0.874 nan 8.290 nan 0.000 0.562 253 D N -2.329 117.924 120.400 -0.245 0.000 2.256 253 D HA 0.449 5.053 4.640 -0.059 0.000 0.246 253 D C 0.668 176.745 176.300 -0.371 0.000 1.042 253 D CA -0.877 52.948 54.000 -0.292 0.000 0.841 253 D CB 1.080 41.805 40.800 -0.125 0.000 1.223 253 D HN 0.006 nan 8.370 nan 0.000 0.470 254 F N 1.258 121.095 119.950 -0.188 0.000 2.451 254 F HA 0.032 4.525 4.527 -0.056 0.000 0.299 254 F C 1.928 177.612 175.800 -0.193 0.000 1.101 254 F CA 0.462 58.366 58.000 -0.160 0.000 1.436 254 F CB 0.089 39.034 39.000 -0.091 0.000 1.074 254 F HN 0.269 nan 8.300 nan 0.000 0.553 255 R N -0.030 120.367 120.500 -0.172 0.000 2.320 255 R HA 0.190 4.495 4.340 -0.059 0.000 0.211 255 R C 2.149 178.400 176.300 -0.080 0.000 0.931 255 R CA 0.434 56.435 56.100 -0.165 0.000 1.071 255 R CB -0.298 29.762 30.300 -0.400 0.000 1.025 255 R HN 0.179 nan 8.270 nan 0.000 0.495 256 A N 0.942 123.683 122.820 -0.131 0.000 1.927 256 A HA -0.210 4.075 4.320 -0.059 0.000 0.220 256 A C 1.910 179.443 177.584 -0.086 0.000 1.185 256 A CA 1.943 53.835 52.037 -0.242 0.000 0.639 256 A CB -0.319 18.264 19.000 -0.695 0.000 0.820 256 A HN 0.247 nan 8.150 nan 0.000 0.451 257 S N -0.585 115.086 115.700 -0.049 0.000 2.593 257 S HA 0.009 4.444 4.470 -0.059 0.000 0.217 257 S C 1.538 175.949 174.600 -0.317 0.000 0.966 257 S CA 0.407 58.586 58.200 -0.035 0.000 0.914 257 S CB -0.019 63.224 63.200 0.073 0.000 0.776 257 S HN 0.672 nan 8.310 nan 0.000 0.523 258 E N 1.752 121.681 120.200 -0.452 0.000 2.187 258 E HA -0.228 4.087 4.350 -0.059 0.000 0.199 258 E C 0.220 176.521 176.600 -0.500 0.000 1.004 258 E CA 1.226 57.124 56.400 -0.836 0.000 0.813 258 E CB 0.128 29.606 29.700 -0.370 0.000 0.736 258 E HN 0.721 nan 8.360 nan 0.000 0.468 259 Q N -1.537 118.150 119.800 -0.188 0.000 2.378 259 Q HA 0.236 4.541 4.340 -0.059 0.000 0.262 259 Q C 0.410 176.396 176.000 -0.024 0.000 0.978 259 Q CA -0.215 55.578 55.803 -0.017 0.000 0.918 259 Q CB 0.256 29.066 28.738 0.120 0.000 1.415 259 Q HN 0.022 nan 8.270 nan 0.000 0.409 260 I N 1.170 121.721 120.570 -0.031 0.000 2.227 260 I HA -0.344 3.790 4.170 -0.059 0.000 0.250 260 I C 0.726 176.828 176.117 -0.024 0.000 1.087 260 I CA 1.641 62.919 61.300 -0.037 0.000 1.352 260 I CB 0.124 38.071 38.000 -0.090 0.000 1.043 260 I HN 0.850 nan 8.210 nan 0.000 0.425 261 L N -0.353 120.858 121.223 -0.020 0.000 2.156 261 L HA -0.125 4.180 4.340 -0.059 0.000 0.208 261 L C 2.041 178.907 176.870 -0.007 0.000 1.095 261 L CA 1.498 56.330 54.840 -0.013 0.000 0.770 261 L CB -1.025 41.031 42.059 -0.005 0.000 0.914 261 L HN 0.365 nan 8.230 nan 0.000 0.439 262 L N -0.577 120.642 121.223 -0.007 0.000 2.131 262 L HA 0.037 4.341 4.340 -0.059 0.000 0.206 262 L C 2.446 179.367 176.870 0.085 0.000 1.087 262 L CA 1.800 56.643 54.840 0.004 0.000 0.767 262 L CB -0.802 41.253 42.059 -0.007 0.000 0.917 262 L HN 0.127 nan 8.230 nan 0.000 0.441 263 A N -1.088 121.768 122.820 0.060 0.000 1.902 263 A HA -0.181 4.103 4.320 -0.059 0.000 0.217 263 A C 2.239 179.808 177.584 -0.025 0.000 1.181 263 A CA 2.239 54.305 52.037 0.048 0.000 0.623 263 A CB -1.256 17.811 19.000 0.111 0.000 0.818 263 A HN 0.507 nan 8.150 nan 0.000 0.443 264 T N 0.449 114.988 114.554 -0.025 0.000 2.652 264 T HA -0.106 4.208 4.350 -0.059 0.000 0.267 264 T C 2.239 176.930 174.700 -0.016 0.000 1.039 264 T CA 1.915 63.988 62.100 -0.045 0.000 1.153 264 T CB -0.555 68.295 68.868 -0.030 0.000 0.863 264 T HN 0.622 nan 8.240 nan 0.000 0.428 265 A N 1.189 124.022 122.820 0.022 0.000 1.940 265 A HA -0.207 4.077 4.320 -0.059 0.000 0.219 265 A C 2.134 179.720 177.584 0.003 0.000 1.176 265 A CA 1.516 53.587 52.037 0.056 0.000 0.631 265 A CB -0.878 18.143 19.000 0.035 0.000 0.814 265 A HN 0.569 nan 8.150 nan 0.000 0.446 266 H N -0.236 118.789 119.070 -0.075 0.000 2.387 266 H HA -0.091 4.431 4.556 -0.057 0.000 0.299 266 H C 2.229 177.463 175.328 -0.156 0.000 1.090 266 H CA 1.984 57.960 56.048 -0.119 0.000 1.332 266 H CB -0.232 29.442 29.762 -0.145 0.000 1.386 266 H HN 0.513 nan 8.280 nan 0.000 0.516 267 T N 1.215 115.733 114.554 -0.060 0.000 2.777 267 T HA -0.108 4.206 4.350 -0.059 0.000 0.266 267 T C 2.237 176.869 174.700 -0.112 0.000 1.040 267 T CA 0.555 62.569 62.100 -0.142 0.000 1.141 267 T CB -0.292 68.467 68.868 -0.180 0.000 0.868 267 T HN 0.033 nan 8.240 nan 0.000 0.444 268 L N 0.805 121.979 121.223 -0.080 0.000 2.012 268 L HA -0.019 4.286 4.340 -0.059 0.000 0.210 268 L C 2.343 179.156 176.870 -0.096 0.000 1.073 268 L CA 1.507 56.289 54.840 -0.097 0.000 0.748 268 L CB -0.988 41.043 42.059 -0.046 0.000 0.891 268 L HN 0.281 nan 8.230 nan 0.000 0.431 269 L N -1.822 119.371 121.223 -0.050 0.000 2.093 269 L HA -0.197 4.107 4.340 -0.059 0.000 0.208 269 L C 2.427 179.246 176.870 -0.084 0.000 1.085 269 L CA 0.533 55.341 54.840 -0.052 0.000 0.755 269 L CB -0.576 41.461 42.059 -0.037 0.000 0.904 269 L HN 0.264 nan 8.230 nan 0.000 0.435 270 L N 0.111 121.274 121.223 -0.099 0.000 2.012 270 L HA -0.206 4.098 4.340 -0.059 0.000 0.210 270 L C 2.736 179.575 176.870 -0.052 0.000 1.073 270 L CA 1.743 56.523 54.840 -0.101 0.000 0.748 270 L CB -0.454 41.529 42.059 -0.127 0.000 0.891 270 L HN 0.075 nan 8.230 nan 0.000 0.431 271 R N -0.595 119.850 120.500 -0.091 0.000 2.081 271 R HA -0.208 4.097 4.340 -0.059 0.000 0.235 271 R C 2.229 178.473 176.300 -0.094 0.000 1.131 271 R CA 1.447 57.488 56.100 -0.098 0.000 0.960 271 R CB -0.406 29.809 30.300 -0.141 0.000 0.856 271 R HN 0.402 nan 8.270 nan 0.000 0.436 272 E N 0.108 120.238 120.200 -0.116 0.000 2.153 272 E HA -0.210 4.105 4.350 -0.059 0.000 0.194 272 E C 1.677 178.219 176.600 -0.098 0.000 0.988 272 E CA 1.474 57.781 56.400 -0.155 0.000 0.811 272 E CB -0.101 29.458 29.700 -0.236 0.000 0.746 272 E HN 0.445 nan 8.360 nan 0.000 0.466 273 H N -0.199 118.812 119.070 -0.097 0.000 2.326 273 H HA 0.001 4.522 4.556 -0.058 0.000 0.301 273 H C 1.634 176.945 175.328 -0.027 0.000 1.081 273 H CA 2.156 58.185 56.048 -0.032 0.000 1.334 273 H CB -0.118 29.662 29.762 0.030 0.000 1.385 273 H HN 0.107 nan 8.280 nan 0.000 0.504 274 N N 0.426 119.127 118.700 0.001 0.000 2.084 274 N HA -0.150 4.554 4.740 -0.059 0.000 0.190 274 N C 2.041 177.481 175.510 -0.117 0.000 1.030 274 N CA 1.227 54.250 53.050 -0.046 0.000 0.849 274 N CB -0.440 38.074 38.487 0.044 0.000 1.012 274 N HN 0.386 nan 8.380 nan 0.000 0.423 275 R N 0.303 120.736 120.500 -0.111 0.000 2.091 275 R HA -0.096 4.208 4.340 -0.059 0.000 0.238 275 R C 1.816 178.024 176.300 -0.154 0.000 1.136 275 R CA 1.035 57.063 56.100 -0.121 0.000 0.959 275 R CB -0.370 29.851 30.300 -0.132 0.000 0.856 275 R HN 0.096 nan 8.270 nan 0.000 0.437 276 L N 0.463 121.564 121.223 -0.202 0.000 2.083 276 L HA -0.060 4.244 4.340 -0.059 0.000 0.209 276 L C 2.252 178.990 176.870 -0.220 0.000 1.083 276 L CA 2.008 56.707 54.840 -0.234 0.000 0.752 276 L CB -0.628 41.271 42.059 -0.267 0.000 0.899 276 L HN 0.284 nan 8.230 nan 0.000 0.433 277 A N -0.000 122.667 122.820 -0.255 0.000 1.898 277 A HA -0.158 4.126 4.320 -0.059 0.000 0.214 277 A C 2.298 179.829 177.584 -0.088 0.000 1.183 277 A CA 1.193 53.118 52.037 -0.187 0.000 0.622 277 A CB -0.465 18.387 19.000 -0.246 0.000 0.824 277 A HN 0.552 nan 8.150 nan 0.000 0.444 278 R N -0.698 119.752 120.500 -0.083 0.000 2.148 278 R HA -0.039 4.266 4.340 -0.059 0.000 0.227 278 R C 1.371 177.638 176.300 -0.055 0.000 1.103 278 R CA 1.372 57.443 56.100 -0.048 0.000 0.983 278 R CB -0.339 29.939 30.300 -0.037 0.000 0.874 278 R HN 0.325 nan 8.270 nan 0.000 0.451 279 E N 1.515 121.667 120.200 -0.080 0.000 2.072 279 E HA -0.062 4.252 4.350 -0.059 0.000 0.190 279 E C 2.179 178.734 176.600 -0.075 0.000 0.982 279 E CA 0.921 57.272 56.400 -0.082 0.000 0.803 279 E CB -0.130 29.504 29.700 -0.111 0.000 0.755 279 E HN 0.393 nan 8.360 nan 0.000 0.453 280 L N 0.984 122.170 121.223 -0.061 0.000 2.141 280 L HA -0.167 4.137 4.340 -0.059 0.000 0.209 280 L C 2.454 179.296 176.870 -0.047 0.000 1.094 280 L CA 0.934 55.763 54.840 -0.019 0.000 0.763 280 L CB -0.359 41.785 42.059 0.142 0.000 0.908 280 L HN 0.026 nan 8.230 nan 0.000 0.437 281 K N 1.217 121.610 120.400 -0.011 0.000 2.097 281 K HA -0.222 4.062 4.320 -0.059 0.000 0.206 281 K C 2.010 178.575 176.600 -0.059 0.000 1.049 281 K CA 1.597 57.875 56.287 -0.014 0.000 0.933 281 K CB -0.159 32.346 32.500 0.008 0.000 0.717 281 K HN 0.082 nan 8.250 nan 0.000 0.442 282 K N -0.117 120.247 120.400 -0.059 0.000 2.211 282 K HA -0.064 4.221 4.320 -0.059 0.000 0.203 282 K C 1.256 177.812 176.600 -0.074 0.000 1.050 282 K CA 1.343 57.597 56.287 -0.055 0.000 0.945 282 K CB 0.030 32.502 32.500 -0.047 0.000 0.732 282 K HN 0.216 nan 8.250 nan 0.000 0.451 283 L N -0.885 120.268 121.223 -0.116 0.000 2.590 283 L HA 0.262 4.566 4.340 -0.059 0.000 0.227 283 L C -0.120 176.617 176.870 -0.221 0.000 1.099 283 L CA 0.108 54.869 54.840 -0.132 0.000 0.872 283 L CB 0.156 42.150 42.059 -0.108 0.000 1.088 283 L HN -0.042 nan 8.230 nan 0.000 0.479 284 N N 0.169 118.658 118.700 -0.351 0.000 2.679 284 N HA 0.229 4.933 4.740 -0.059 0.000 0.302 284 N C -2.128 173.158 175.510 -0.373 0.000 1.941 284 N CA -0.889 51.803 53.050 -0.598 0.000 0.875 284 N CB 1.122 38.662 38.487 -1.578 0.000 1.278 284 N HN -0.029 nan 8.380 nan 0.000 0.490 285 P HA -0.252 nan 4.420 nan 0.000 0.220 285 P C 1.487 178.809 177.300 0.036 0.000 1.155 285 P CA 1.622 64.721 63.100 -0.002 0.000 0.880 285 P CB -0.039 31.687 31.700 0.044 0.000 0.790 286 H N -3.709 115.349 119.070 -0.021 0.000 2.491 286 H HA -0.079 4.442 4.556 -0.058 0.000 0.290 286 H C 0.458 175.906 175.328 0.200 0.000 1.050 286 H CA 0.251 56.336 56.048 0.062 0.000 1.309 286 H CB -1.214 28.577 29.762 0.050 0.000 1.392 286 H HN 0.116 nan 8.280 nan 0.000 0.554 287 W N 4.184 125.228 121.300 -0.427 0.000 2.209 287 W HA -0.006 4.609 4.660 -0.074 0.000 0.344 287 W C 0.878 177.355 176.519 -0.071 0.000 1.285 287 W CA -0.309 56.897 57.345 -0.232 0.000 1.267 287 W CB -0.030 29.303 29.460 -0.211 0.000 1.167 287 W HN 0.391 nan 8.180 nan 0.000 0.574 288 N N 0.318 119.118 118.700 0.167 0.000 2.405 288 N HA 0.317 5.021 4.740 -0.059 0.000 0.269 288 N C 1.157 176.707 175.510 0.067 0.000 1.249 288 N CA 0.116 53.223 53.050 0.096 0.000 0.974 288 N CB -0.308 38.217 38.487 0.063 0.000 1.204 288 N HN 0.401 nan 8.380 nan 0.000 0.565 289 G N -0.530 108.300 108.800 0.049 0.000 2.446 289 G HA2 -0.341 3.583 3.960 -0.059 0.000 0.217 289 G HA3 -0.341 3.583 3.960 -0.059 0.000 0.217 289 G C 1.214 176.135 174.900 0.034 0.000 1.168 289 G CA 1.255 46.381 45.100 0.042 0.000 0.771 289 G HN 0.765 nan 8.290 nan 0.000 0.551 290 E N 0.427 120.631 120.200 0.007 0.000 2.072 290 E HA -0.096 4.218 4.350 -0.059 0.000 0.191 290 E C 2.311 178.886 176.600 -0.042 0.000 0.985 290 E CA 1.382 57.786 56.400 0.006 0.000 0.801 290 E CB -0.187 29.509 29.700 -0.007 0.000 0.750 290 E HN 0.306 nan 8.360 nan 0.000 0.452 291 K N -0.229 120.110 120.400 -0.102 0.000 2.074 291 K HA -0.127 4.157 4.320 -0.059 0.000 0.209 291 K C 1.773 178.198 176.600 -0.291 0.000 1.048 291 K CA 1.187 57.304 56.287 -0.283 0.000 0.926 291 K CB -0.364 31.889 32.500 -0.412 0.000 0.713 291 K HN 0.155 nan 8.250 nan 0.000 0.444 292 L N -0.021 121.155 121.223 -0.078 0.000 2.056 292 L HA -0.119 4.185 4.340 -0.059 0.000 0.207 292 L C 2.186 179.041 176.870 -0.025 0.000 1.078 292 L CA 1.639 56.477 54.840 -0.002 0.000 0.749 292 L CB -1.436 40.672 42.059 0.080 0.000 0.901 292 L HN 0.275 nan 8.230 nan 0.000 0.433 293 Y N 0.817 121.059 120.300 -0.096 0.000 2.049 293 Y HA -0.289 4.231 4.550 -0.051 0.000 0.277 293 Y C 2.732 178.514 175.900 -0.195 0.000 1.143 293 Y CA 1.777 59.858 58.100 -0.031 0.000 1.115 293 Y CB -0.242 38.184 38.460 -0.055 0.000 0.975 293 Y HN 0.187 nan 8.280 nan 0.000 0.487 294 Q N 0.330 119.874 119.800 -0.428 0.000 2.077 294 Q HA -0.260 4.044 4.340 -0.059 0.000 0.206 294 Q C 2.289 177.780 176.000 -0.848 0.000 0.989 294 Q CA 2.177 57.450 55.803 -0.884 0.000 0.853 294 Q CB -0.564 27.363 28.738 -1.351 0.000 0.907 294 Q HN 0.616 nan 8.270 nan 0.000 0.418 295 E N 0.129 119.950 120.200 -0.632 0.000 2.106 295 E HA -0.066 4.248 4.350 -0.059 0.000 0.192 295 E C 1.803 178.293 176.600 -0.184 0.000 0.984 295 E CA 1.034 57.246 56.400 -0.314 0.000 0.806 295 E CB -0.123 29.455 29.700 -0.204 0.000 0.750 295 E HN 0.340 nan 8.360 nan 0.000 0.458 296 A N 0.938 123.625 122.820 -0.221 0.000 1.858 296 A HA -0.222 4.063 4.320 -0.059 0.000 0.216 296 A C 2.182 179.708 177.584 -0.097 0.000 1.190 296 A CA 1.808 53.728 52.037 -0.195 0.000 0.617 296 A CB -0.639 18.128 19.000 -0.388 0.000 0.827 296 A HN 0.246 nan 8.150 nan 0.000 0.443 297 R N -0.016 120.335 120.500 -0.249 0.000 2.096 297 R HA -0.239 4.066 4.340 -0.059 0.000 0.240 297 R C 2.268 178.432 176.300 -0.225 0.000 1.139 297 R CA 2.263 58.069 56.100 -0.490 0.000 0.952 297 R CB -0.348 29.194 30.300 -1.262 0.000 0.854 297 R HN 0.530 nan 8.270 nan 0.000 0.436 298 K N 0.284 120.557 120.400 -0.211 0.000 2.063 298 K HA -0.158 4.126 4.320 -0.059 0.000 0.208 298 K C 2.097 178.839 176.600 0.237 0.000 1.048 298 K CA 1.983 58.270 56.287 -0.000 0.000 0.928 298 K CB -0.146 32.358 32.500 0.007 0.000 0.713 298 K HN 0.276 nan 8.250 nan 0.000 0.442 299 I N 0.702 121.392 120.570 0.200 0.000 2.179 299 I HA -0.285 3.849 4.170 -0.059 0.000 0.242 299 I C 2.310 178.523 176.117 0.161 0.000 1.088 299 I CA 0.692 62.114 61.300 0.203 0.000 1.357 299 I CB -0.262 37.719 38.000 -0.031 0.000 1.051 299 I HN 0.210 nan 8.210 nan 0.000 0.409 300 L N 1.213 122.522 121.223 0.145 0.000 2.079 300 L HA -0.127 4.178 4.340 -0.059 0.000 0.210 300 L C 2.333 179.381 176.870 0.296 0.000 1.081 300 L CA 2.100 57.072 54.840 0.220 0.000 0.752 300 L CB -1.157 41.054 42.059 0.253 0.000 0.896 300 L HN 0.212 nan 8.230 nan 0.000 0.433 301 G N -1.303 107.642 108.800 0.242 0.000 2.433 301 G HA2 -0.280 3.644 3.960 -0.059 0.000 0.216 301 G HA3 -0.280 3.644 3.960 -0.059 0.000 0.216 301 G C 1.643 176.643 174.900 0.167 0.000 1.186 301 G CA 0.858 46.089 45.100 0.219 0.000 0.779 301 G HN 0.595 nan 8.290 nan 0.000 0.543 302 A N 0.385 123.301 122.820 0.160 0.000 1.948 302 A HA -0.057 4.227 4.320 -0.059 0.000 0.220 302 A C 2.189 179.656 177.584 -0.196 0.000 1.177 302 A CA 1.872 53.878 52.037 -0.051 0.000 0.636 302 A CB -0.596 18.357 19.000 -0.078 0.000 0.815 302 A HN 0.504 nan 8.150 nan 0.000 0.449 303 F N 1.020 120.891 119.950 -0.131 0.000 2.102 303 F HA -0.167 4.297 4.527 -0.106 0.000 0.298 303 F C 1.907 177.719 175.800 0.020 0.000 1.105 303 F CA 1.647 59.584 58.000 -0.105 0.000 1.239 303 F CB -0.154 38.830 39.000 -0.025 0.000 0.991 303 F HN 0.158 nan 8.300 nan 0.000 0.474 304 I N 0.765 121.372 120.570 0.061 0.000 2.335 304 I HA -0.286 3.848 4.170 -0.059 0.000 0.251 304 I C 2.215 178.421 176.117 0.149 0.000 1.129 304 I CA 1.391 62.790 61.300 0.164 0.000 1.402 304 I CB -1.792 36.384 38.000 0.293 0.000 1.069 304 I HN 0.404 nan 8.210 nan 0.000 0.424 305 Q N 0.297 120.115 119.800 0.031 0.000 2.123 305 Q HA -0.059 4.245 4.340 -0.059 0.000 0.199 305 Q C 2.456 178.462 176.000 0.009 0.000 0.966 305 Q CA 1.087 56.929 55.803 0.065 0.000 0.845 305 Q CB 0.072 28.627 28.738 -0.305 0.000 0.907 305 Q HN 0.469 nan 8.270 nan 0.000 0.439 306 I N 0.722 121.091 120.570 -0.335 0.000 2.163 306 I HA -0.261 3.874 4.170 -0.059 0.000 0.240 306 I C 2.089 178.113 176.117 -0.156 0.000 1.081 306 I CA 0.793 61.884 61.300 -0.347 0.000 1.353 306 I CB -0.263 37.359 38.000 -0.630 0.000 1.054 306 I HN 0.206 nan 8.210 nan 0.000 0.407 307 I N 0.623 121.005 120.570 -0.314 0.000 2.163 307 I HA -0.278 3.856 4.170 -0.059 0.000 0.243 307 I C 2.625 178.668 176.117 -0.124 0.000 1.085 307 I CA 1.886 62.983 61.300 -0.338 0.000 1.347 307 I CB -1.979 35.575 38.000 -0.743 0.000 1.044 307 I HN 0.268 nan 8.210 nan 0.000 0.408 308 T N 1.268 115.920 114.554 0.163 0.000 2.652 308 T HA -0.163 4.151 4.350 -0.059 0.000 0.267 308 T C 1.806 176.633 174.700 0.211 0.000 1.039 308 T CA 1.645 63.965 62.100 0.367 0.000 1.153 308 T CB -0.405 68.796 68.868 0.555 0.000 0.863 308 T HN 0.098 nan 8.240 nan 0.000 0.428 309 F N 0.705 120.761 119.950 0.177 0.000 2.293 309 F HA 0.229 4.718 4.527 -0.063 0.000 0.297 309 F C 2.565 178.429 175.800 0.108 0.000 1.089 309 F CA 0.448 58.560 58.000 0.186 0.000 1.377 309 F CB -0.219 39.024 39.000 0.406 0.000 1.051 309 F HN -0.044 nan 8.300 nan 0.000 0.511 310 R N 0.128 120.763 120.500 0.225 0.000 2.066 310 R HA -0.069 4.236 4.340 -0.059 0.000 0.224 310 R C 1.356 177.660 176.300 0.006 0.000 1.122 310 R CA 1.651 57.822 56.100 0.118 0.000 0.974 310 R CB -0.141 30.212 30.300 0.088 0.000 0.871 310 R HN 0.099 nan 8.270 nan 0.000 0.435 311 D N -0.851 119.506 120.400 -0.072 0.000 2.269 311 D HA -0.081 4.523 4.640 -0.059 0.000 0.220 311 D C 1.450 177.520 176.300 -0.384 0.000 0.962 311 D CA 0.884 54.768 54.000 -0.195 0.000 0.884 311 D CB -0.346 40.329 40.800 -0.208 0.000 1.023 311 D HN 0.158 nan 8.370 nan 0.000 0.484 312 Y N 1.392 121.351 120.300 -0.568 0.000 2.177 312 Y HA 0.063 4.577 4.550 -0.060 0.000 0.291 312 Y C 2.146 177.907 175.900 -0.231 0.000 1.117 312 Y CA 1.075 58.867 58.100 -0.512 0.000 1.114 312 Y CB -0.474 37.781 38.460 -0.341 0.000 1.017 312 Y HN -0.175 nan 8.280 nan 0.000 0.505 313 L N 0.361 121.380 121.223 -0.339 0.000 2.042 313 L HA -0.188 4.116 4.340 -0.059 0.000 0.210 313 L C -0.599 176.077 176.870 -0.325 0.000 1.076 313 L CA 1.491 56.046 54.840 -0.475 0.000 0.749 313 L CB -1.774 39.933 42.059 -0.586 0.000 0.893 313 L HN 0.216 nan 8.230 nan 0.000 0.432 314 P HA -0.160 nan 4.420 nan 0.000 0.223 314 P C 1.307 178.516 177.300 -0.153 0.000 1.144 314 P CA 1.323 64.337 63.100 -0.142 0.000 0.783 314 P CB -0.098 31.547 31.700 -0.092 0.000 0.771 315 I N -6.543 113.907 120.570 -0.200 0.000 3.976 315 I HA 0.146 4.280 4.170 -0.059 0.000 0.337 315 I C 1.060 177.087 176.117 -0.149 0.000 1.359 315 I CA 0.011 61.198 61.300 -0.188 0.000 1.098 315 I CB 0.048 37.905 38.000 -0.238 0.000 1.027 315 I HN -0.265 nan 8.210 nan 0.000 0.394 316 V N 0.642 120.447 119.914 -0.181 0.000 2.627 316 V HA 0.050 4.135 4.120 -0.059 0.000 0.239 316 V C 2.163 178.153 176.094 -0.173 0.000 1.077 316 V CA 0.784 62.992 62.300 -0.153 0.000 1.103 316 V CB 0.115 31.733 31.823 -0.342 0.000 0.802 316 V HN 0.293 nan 8.190 nan 0.000 0.482 317 L N 0.238 121.361 121.223 -0.167 0.000 2.179 317 L HA 0.290 4.595 4.340 -0.059 0.000 0.208 317 L C 1.704 178.544 176.870 -0.050 0.000 1.096 317 L CA 1.856 56.640 54.840 -0.092 0.000 0.779 317 L CB -1.974 40.059 42.059 -0.045 0.000 0.922 317 L HN 0.537 nan 8.230 nan 0.000 0.443 318 G N 0.477 109.236 108.800 -0.069 0.000 2.550 318 G HA2 -0.408 3.517 3.960 -0.059 0.000 0.277 318 G HA3 -0.408 3.517 3.960 -0.059 0.000 0.277 318 G C 1.126 176.013 174.900 -0.022 0.000 1.190 318 G CA 1.284 46.353 45.100 -0.051 0.000 0.971 318 G HN 0.382 nan 8.290 nan 0.000 0.559 319 S N 0.106 115.798 115.700 -0.013 0.000 2.440 319 S HA -0.036 4.398 4.470 -0.059 0.000 0.238 319 S C 1.535 176.144 174.600 0.014 0.000 1.010 319 S CA 2.029 60.226 58.200 -0.005 0.000 0.972 319 S CB -0.104 63.092 63.200 -0.008 0.000 0.774 319 S HN 0.646 nan 8.310 nan 0.000 0.501 320 E N 0.466 120.696 120.200 0.050 0.000 2.502 320 E HA 0.124 4.438 4.350 -0.059 0.000 0.194 320 E C 1.389 178.098 176.600 0.181 0.000 1.062 320 E CA 0.107 56.581 56.400 0.124 0.000 0.867 320 E CB -0.208 29.630 29.700 0.229 0.000 0.888 320 E HN 0.641 nan 8.360 nan 0.000 0.510 321 M N 1.065 120.722 119.600 0.094 0.000 2.059 321 M HA -0.218 4.226 4.480 -0.059 0.000 0.259 321 M C 1.942 178.299 176.300 0.095 0.000 1.072 321 M CA 1.872 57.228 55.300 0.093 0.000 1.117 321 M CB -0.051 32.564 32.600 0.024 0.000 1.320 321 M HN -0.094 nan 8.290 nan 0.000 0.408 322 Q N -0.125 119.699 119.800 0.040 0.000 2.234 322 Q HA -0.232 4.072 4.340 -0.059 0.000 0.206 322 Q C 1.905 177.885 176.000 -0.032 0.000 0.980 322 Q CA 1.735 57.549 55.803 0.018 0.000 0.869 322 Q CB -0.598 28.138 28.738 -0.003 0.000 0.912 322 Q HN 0.646 nan 8.270 nan 0.000 0.436 323 K N -0.376 119.960 120.400 -0.106 0.000 2.432 323 K HA -0.118 4.166 4.320 -0.059 0.000 0.196 323 K C 0.661 176.960 176.600 -0.502 0.000 1.038 323 K CA 0.765 56.853 56.287 -0.332 0.000 0.986 323 K CB 0.169 32.404 32.500 -0.441 0.000 0.782 323 K HN 0.269 nan 8.250 nan 0.000 0.485 324 W N -0.086 121.223 121.300 0.015 0.000 2.835 324 W HA 0.358 4.981 4.660 -0.061 0.000 0.278 324 W C -0.058 176.492 176.519 0.052 0.000 1.075 324 W CA -0.582 56.779 57.345 0.027 0.000 1.439 324 W CB 0.977 30.462 29.460 0.042 0.000 0.927 324 W HN -0.198 nan 8.180 nan 0.000 0.604 325 I N 2.735 123.454 120.570 0.249 0.000 2.862 325 I HA 0.189 4.323 4.170 -0.059 0.000 0.285 325 I C -2.016 174.187 176.117 0.144 0.000 1.339 325 I CA -1.834 59.592 61.300 0.210 0.000 1.002 325 I CB 0.513 38.655 38.000 0.237 0.000 1.618 325 I HN -0.427 nan 8.210 nan 0.000 0.593 326 P HA 0.199 nan 4.420 nan 0.000 0.272 326 P C -2.540 174.818 177.300 0.097 0.000 1.254 326 P CA -0.881 62.257 63.100 0.063 0.000 0.795 326 P CB -0.551 31.165 31.700 0.026 0.000 1.022 327 P HA 0.109 nan 4.420 nan 0.000 0.274 327 P C -0.519 176.864 177.300 0.137 0.000 1.231 327 P CA -0.153 63.025 63.100 0.129 0.000 0.790 327 P CB 0.000 31.762 31.700 0.102 0.000 0.951 328 Y N 1.951 122.265 120.300 0.024 0.000 2.632 328 Y HA -0.060 4.458 4.550 -0.053 0.000 0.329 328 Y C 1.355 177.247 175.900 -0.014 0.000 1.174 328 Y CA 0.901 58.987 58.100 -0.023 0.000 1.469 328 Y CB 0.299 38.747 38.460 -0.020 0.000 1.242 328 Y HN 0.341 nan 8.280 nan 0.000 0.540 329 Q N 4.571 124.102 119.800 -0.448 0.000 2.246 329 Q HA 0.322 4.627 4.340 -0.059 0.000 0.222 329 Q C 0.563 176.237 176.000 -0.543 0.000 0.851 329 Q CA 0.529 56.108 55.803 -0.374 0.000 0.945 329 Q CB 1.056 29.667 28.738 -0.212 0.000 1.122 329 Q HN 0.987 nan 8.270 nan 0.000 0.508 330 G N 1.173 109.316 108.800 -1.096 0.000 2.392 330 G HA2 -0.172 3.753 3.960 -0.059 0.000 0.677 330 G HA3 -0.172 3.753 3.960 -0.059 0.000 0.677 330 G C -1.496 173.192 174.900 -0.352 0.000 1.334 330 G CA -0.974 43.682 45.100 -0.739 0.000 0.961 330 G HN 0.115 nan 8.290 nan 0.000 0.616 331 Y N 1.625 121.840 120.300 -0.141 0.000 2.712 331 Y HA 0.480 4.996 4.550 -0.057 0.000 0.333 331 Y C 0.314 176.183 175.900 -0.051 0.000 1.225 331 Y CA -0.150 57.945 58.100 -0.008 0.000 1.499 331 Y CB 0.849 39.324 38.460 0.025 0.000 1.288 331 Y HN 0.657 nan 8.280 nan 0.000 0.575 332 N N 4.837 123.325 118.700 -0.355 0.000 2.573 332 N HA 0.064 4.769 4.740 -0.059 0.000 0.262 332 N C -0.271 174.910 175.510 -0.548 0.000 1.029 332 N CA -0.535 52.274 53.050 -0.402 0.000 0.882 332 N CB 0.145 38.538 38.487 -0.158 0.000 1.204 332 N HN 0.808 nan 8.380 nan 0.000 0.519 333 N N 1.148 119.399 118.700 -0.749 0.000 2.609 333 N HA -0.037 4.667 4.740 -0.059 0.000 0.190 333 N C 0.168 175.600 175.510 -0.130 0.000 1.157 333 N CA 0.478 53.258 53.050 -0.449 0.000 0.918 333 N CB 0.144 38.424 38.487 -0.346 0.000 0.978 333 N HN 0.167 nan 8.380 nan 0.000 0.448 334 S N -0.590 115.042 115.700 -0.114 0.000 2.577 334 S HA 0.228 4.663 4.470 -0.059 0.000 0.219 334 S C 0.028 174.636 174.600 0.013 0.000 0.962 334 S CA -0.546 57.634 58.200 -0.032 0.000 0.921 334 S CB 0.273 63.449 63.200 -0.039 0.000 0.789 334 S HN 0.128 nan 8.310 nan 0.000 0.497 335 V N 2.813 122.745 119.914 0.029 0.000 2.439 335 V HA 0.253 4.338 4.120 -0.059 0.000 0.282 335 V C -0.122 176.049 176.094 0.129 0.000 1.039 335 V CA -1.009 61.337 62.300 0.077 0.000 0.913 335 V CB 1.526 33.399 31.823 0.084 0.000 0.983 335 V HN 0.169 nan 8.190 nan 0.000 0.460 336 D N 7.866 128.347 120.400 0.135 0.000 2.359 336 D HA 0.175 4.779 4.640 -0.059 0.000 0.250 336 D C -1.202 175.194 176.300 0.159 0.000 1.264 336 D CA -1.946 52.148 54.000 0.157 0.000 0.911 336 D CB 1.512 42.420 40.800 0.179 0.000 1.056 336 D HN 0.292 nan 8.370 nan 0.000 0.499 337 P HA -0.012 nan 4.420 nan 0.000 0.245 337 P C 0.126 177.386 177.300 -0.066 0.000 1.212 337 P CA -0.028 63.123 63.100 0.085 0.000 0.774 337 P CB 0.346 32.166 31.700 0.200 0.000 0.999 338 R N 0.498 120.987 120.500 -0.019 0.000 2.570 338 R HA 0.162 4.467 4.340 -0.059 0.000 0.277 338 R C 0.612 176.855 176.300 -0.095 0.000 1.039 338 R CA -0.444 55.616 56.100 -0.067 0.000 1.065 338 R CB 0.280 30.584 30.300 0.007 0.000 0.964 338 R HN 0.041 nan 8.270 nan 0.000 0.428 339 I N 2.679 123.151 120.570 -0.162 0.000 2.556 339 I HA -0.047 4.088 4.170 -0.059 0.000 0.284 339 I C 1.107 177.081 176.117 -0.239 0.000 1.114 339 I CA 0.365 61.525 61.300 -0.232 0.000 1.418 339 I CB 0.590 38.500 38.000 -0.150 0.000 1.394 339 I HN 0.688 nan 8.210 nan 0.000 0.552 340 S N 5.348 120.765 115.700 -0.473 0.000 2.603 340 S HA 0.162 4.596 4.470 -0.059 0.000 0.268 340 S C 1.061 175.455 174.600 -0.342 0.000 1.317 340 S CA -0.598 57.202 58.200 -0.667 0.000 1.012 340 S CB 1.263 63.364 63.200 -1.833 0.000 0.926 340 S HN 0.632 nan 8.310 nan 0.000 0.539 341 N N 0.494 119.077 118.700 -0.196 0.000 2.166 341 N HA -0.113 4.592 4.740 -0.059 0.000 0.186 341 N C 1.568 177.095 175.510 0.029 0.000 1.019 341 N CA 1.151 54.214 53.050 0.021 0.000 0.856 341 N CB -0.559 38.033 38.487 0.174 0.000 0.993 341 N HN 0.524 nan 8.380 nan 0.000 0.426 342 V N 0.443 120.272 119.914 -0.142 0.000 2.548 342 V HA -0.137 3.947 4.120 -0.059 0.000 0.249 342 V C 1.976 177.976 176.094 -0.157 0.000 1.055 342 V CA 1.064 63.260 62.300 -0.173 0.000 1.065 342 V CB -0.708 30.690 31.823 -0.708 0.000 0.681 342 V HN 0.225 nan 8.190 nan 0.000 0.462 343 F N 1.942 121.656 119.950 -0.393 0.000 2.161 343 F HA -0.214 4.277 4.527 -0.060 0.000 0.300 343 F C 2.574 178.291 175.800 -0.138 0.000 1.089 343 F CA 2.251 60.081 58.000 -0.284 0.000 1.282 343 F CB -0.658 38.118 39.000 -0.373 0.000 1.010 343 F HN 0.377 nan 8.300 nan 0.000 0.485 344 T N -2.619 111.809 114.554 -0.210 0.000 3.098 344 T HA -0.145 4.169 4.350 -0.059 0.000 0.266 344 T C 1.510 175.856 174.700 -0.591 0.000 1.145 344 T CA 1.247 63.111 62.100 -0.394 0.000 1.092 344 T CB -0.944 67.650 68.868 -0.457 0.000 0.908 344 T HN 0.316 nan 8.240 nan 0.000 0.526 345 F N 0.436 120.281 119.950 -0.176 0.000 2.602 345 F HA 0.583 5.075 4.527 -0.058 0.000 0.284 345 F C 2.667 178.484 175.800 0.029 0.000 1.111 345 F CA -0.071 57.885 58.000 -0.073 0.000 1.405 345 F CB -0.270 38.701 39.000 -0.048 0.000 1.121 345 F HN 0.195 nan 8.300 nan 0.000 0.603 346 A N -0.058 122.794 122.820 0.053 0.000 1.929 346 A HA -0.154 4.131 4.320 -0.059 0.000 0.216 346 A C 1.844 179.527 177.584 0.165 0.000 1.176 346 A CA 0.960 53.032 52.037 0.058 0.000 0.628 346 A CB -0.999 17.958 19.000 -0.072 0.000 0.816 346 A HN 0.344 nan 8.150 nan 0.000 0.444 347 F N 1.044 120.789 119.950 -0.342 0.000 2.722 347 F HA 0.056 4.545 4.527 -0.062 0.000 0.298 347 F C 1.653 177.213 175.800 -0.401 0.000 1.175 347 F CA 0.265 58.056 58.000 -0.349 0.000 1.462 347 F CB -0.394 38.167 39.000 -0.732 0.000 1.111 347 F HN 0.208 nan 8.300 nan 0.000 0.592 348 R N -0.105 120.354 120.500 -0.068 0.000 2.363 348 R HA -0.050 4.254 4.340 -0.059 0.000 0.236 348 R C 1.669 177.941 176.300 -0.047 0.000 0.966 348 R CA 0.186 56.094 56.100 -0.320 0.000 1.100 348 R CB -0.785 29.393 30.300 -0.203 0.000 1.125 348 R HN 0.364 nan 8.270 nan 0.000 0.514 349 F N -1.655 118.351 119.950 0.093 0.000 2.407 349 F HA 0.176 4.666 4.527 -0.061 0.000 0.299 349 F C 1.878 177.734 175.800 0.092 0.000 1.097 349 F CA 0.476 58.538 58.000 0.103 0.000 1.422 349 F CB -0.737 38.309 39.000 0.076 0.000 1.067 349 F HN -0.129 nan 8.300 nan 0.000 0.539 350 G N 0.055 108.336 108.800 -0.865 0.000 2.462 350 G HA2 -0.248 3.676 3.960 -0.059 0.000 0.220 350 G HA3 -0.248 3.676 3.960 -0.059 0.000 0.220 350 G C 1.278 176.129 174.900 -0.083 0.000 1.121 350 G CA 1.079 45.819 45.100 -0.601 0.000 0.758 350 G HN 0.610 nan 8.290 nan 0.000 0.559 351 H N -0.242 118.826 119.070 -0.003 0.000 2.421 351 H HA 0.062 4.583 4.556 -0.059 0.000 0.298 351 H C 2.377 177.819 175.328 0.189 0.000 1.087 351 H CA 0.807 56.924 56.048 0.115 0.000 1.330 351 H CB 0.006 29.896 29.762 0.214 0.000 1.388 351 H HN 0.338 nan 8.280 nan 0.000 0.526 352 M N 0.293 120.094 119.600 0.335 0.000 2.618 352 M HA -0.033 4.412 4.480 -0.059 0.000 0.240 352 M C 0.685 177.132 176.300 0.245 0.000 1.123 352 M CA 1.029 56.498 55.300 0.282 0.000 1.060 352 M CB 0.219 32.959 32.600 0.233 0.000 1.535 352 M HN 0.312 nan 8.290 nan 0.000 0.507 353 E N 0.242 120.579 120.200 0.228 0.000 2.498 353 E HA 0.116 4.431 4.350 -0.059 0.000 0.203 353 E C -0.164 176.552 176.600 0.192 0.000 1.013 353 E CA -0.169 56.364 56.400 0.221 0.000 0.927 353 E CB 0.869 30.703 29.700 0.225 0.000 1.012 353 E HN 0.173 nan 8.360 nan 0.000 0.482 354 V N 4.592 124.617 119.914 0.186 0.000 2.427 354 V HA 0.142 4.226 4.120 -0.059 0.000 0.268 354 V C -1.931 174.270 176.094 0.179 0.000 1.046 354 V CA -1.541 60.858 62.300 0.166 0.000 0.970 354 V CB 0.301 32.220 31.823 0.161 0.000 1.001 354 V HN 0.047 nan 8.190 nan 0.000 0.476 355 P HA 0.181 nan 4.420 nan 0.000 0.276 355 P C 0.761 178.144 177.300 0.138 0.000 1.252 355 P CA -0.417 62.776 63.100 0.155 0.000 0.802 355 P CB 1.045 32.826 31.700 0.134 0.000 1.035 356 S N -0.699 115.082 115.700 0.135 0.000 2.481 356 S HA 0.015 4.450 4.470 -0.059 0.000 0.231 356 S C 0.840 175.482 174.600 0.070 0.000 0.996 356 S CA 0.810 59.076 58.200 0.109 0.000 0.942 356 S CB -1.104 62.162 63.200 0.109 0.000 0.768 356 S HN 0.776 nan 8.310 nan 0.000 0.520 357 T N -1.430 113.161 114.554 0.061 0.000 2.896 357 T HA 0.726 5.040 4.350 -0.059 0.000 0.297 357 T C -0.975 173.738 174.700 0.023 0.000 1.108 357 T CA -0.812 61.304 62.100 0.026 0.000 1.004 357 T CB 1.841 70.727 68.868 0.030 0.000 1.159 357 T HN 0.024 nan 8.240 nan 0.000 0.499 358 V N 1.579 121.490 119.914 -0.005 0.000 2.680 358 V HA 0.741 4.826 4.120 -0.059 0.000 0.309 358 V C -0.085 176.007 176.094 -0.002 0.000 1.052 358 V CA -0.773 61.524 62.300 -0.004 0.000 0.908 358 V CB 2.046 33.849 31.823 -0.032 0.000 1.001 358 V HN 1.129 nan 8.190 nan 0.000 0.431 359 S N 2.768 118.474 115.700 0.011 0.000 2.568 359 S HA 0.787 5.221 4.470 -0.059 0.000 0.302 359 S C -0.612 173.988 174.600 -0.000 0.000 1.082 359 S CA -0.863 57.349 58.200 0.019 0.000 1.009 359 S CB 1.808 65.031 63.200 0.038 0.000 1.069 359 S HN 0.686 nan 8.310 nan 0.000 0.500 360 R N 1.220 121.732 120.500 0.021 0.000 2.562 360 R HA 0.712 5.017 4.340 -0.059 0.000 0.298 360 R C -1.060 175.249 176.300 0.014 0.000 0.961 360 R CA -0.312 55.774 56.100 -0.024 0.000 0.881 360 R CB 0.814 31.128 30.300 0.023 0.000 1.159 360 R HN 0.469 nan 8.270 nan 0.000 0.450 361 L N 1.625 122.779 121.223 -0.115 0.000 2.341 361 L HA 0.541 4.846 4.340 -0.059 0.000 0.267 361 L C -0.152 176.586 176.870 -0.220 0.000 1.009 361 L CA -1.197 53.574 54.840 -0.116 0.000 0.819 361 L CB 1.991 43.934 42.059 -0.192 0.000 1.323 361 L HN 0.692 nan 8.230 nan 0.000 0.425 362 D N -0.724 119.626 120.400 -0.084 0.000 2.469 362 D HA 0.082 4.686 4.640 -0.059 0.000 0.278 362 D C 0.696 176.855 176.300 -0.236 0.000 1.231 362 D CA -0.392 53.578 54.000 -0.049 0.000 1.075 362 D CB 0.504 41.424 40.800 0.200 0.000 1.121 362 D HN 0.510 nan 8.370 nan 0.000 0.571 363 E N -0.960 119.168 120.200 -0.120 0.000 2.160 363 E HA -0.159 4.155 4.350 -0.059 0.000 0.195 363 E C 0.613 177.141 176.600 -0.121 0.000 0.991 363 E CA 0.980 57.299 56.400 -0.135 0.000 0.810 363 E CB -0.296 29.392 29.700 -0.020 0.000 0.742 363 E HN 0.362 nan 8.360 nan 0.000 0.466 364 N N -0.104 118.565 118.700 -0.052 0.000 2.276 364 N HA 0.026 4.731 4.740 -0.059 0.000 0.212 364 N C -0.773 174.700 175.510 -0.062 0.000 1.127 364 N CA 0.017 53.097 53.050 0.051 0.000 0.834 364 N CB -0.045 38.518 38.487 0.127 0.000 1.014 364 N HN 0.166 nan 8.380 nan 0.000 0.491 365 Y N -0.321 119.744 120.300 -0.392 0.000 3.234 365 Y HA -0.274 4.239 4.550 -0.062 0.000 0.207 365 Y C 0.151 175.943 175.900 -0.180 0.000 1.316 365 Y CA 0.400 58.246 58.100 -0.423 0.000 1.309 365 Y CB -1.707 36.214 38.460 -0.899 0.000 1.408 365 Y HN 0.138 nan 8.280 nan 0.000 0.544 366 Q N -0.030 119.769 119.800 -0.003 0.000 2.351 366 Q HA 0.442 4.746 4.340 -0.059 0.000 0.273 366 Q C -2.354 173.686 176.000 0.067 0.000 1.077 366 Q CA -2.191 53.642 55.803 0.050 0.000 0.843 366 Q CB 1.716 30.489 28.738 0.060 0.000 1.367 366 Q HN -0.085 nan 8.270 nan 0.000 0.449 367 P HA -0.111 nan 4.420 nan 0.000 0.258 367 P C -0.884 176.498 177.300 0.137 0.000 1.172 367 P CA 0.420 63.575 63.100 0.090 0.000 0.762 367 P CB 0.106 31.842 31.700 0.059 0.000 0.764 368 W N 6.369 127.645 121.300 -0.039 0.000 2.422 368 W HA 0.457 5.084 4.660 -0.055 0.000 0.349 368 W C 0.666 177.172 176.519 -0.022 0.000 1.062 368 W CA 1.292 58.614 57.345 -0.038 0.000 1.497 368 W CB -0.322 29.106 29.460 -0.053 0.000 1.407 368 W HN 0.784 nan 8.180 nan 0.000 0.393 369 G N 5.761 114.410 108.800 -0.252 0.000 2.660 369 G HA2 -0.240 3.684 3.960 -0.059 0.000 0.247 369 G HA3 -0.240 3.684 3.960 -0.059 0.000 0.247 369 G C -1.826 173.001 174.900 -0.123 0.000 1.328 369 G CA -0.381 44.533 45.100 -0.310 0.000 0.884 369 G HN 0.336 nan 8.290 nan 0.000 0.531 370 P HA 0.188 nan 4.420 nan 0.000 0.228 370 P C 0.567 177.853 177.300 -0.024 0.000 1.166 370 P CA 1.090 64.156 63.100 -0.055 0.000 0.812 370 P CB 0.271 31.936 31.700 -0.059 0.000 0.857 371 E N -0.060 120.128 120.200 -0.019 0.000 2.947 371 E HA 0.422 4.737 4.350 -0.059 0.000 0.229 371 E C 0.810 177.428 176.600 0.030 0.000 1.158 371 E CA -0.352 56.052 56.400 0.006 0.000 1.441 371 E CB 0.459 30.166 29.700 0.011 0.000 1.414 371 E HN 0.088 nan 8.360 nan 0.000 0.432 372 A N 1.414 124.261 122.820 0.044 0.000 2.014 372 A HA -0.128 4.156 4.320 -0.059 0.000 0.218 372 A C 1.142 178.760 177.584 0.057 0.000 1.163 372 A CA 0.819 52.907 52.037 0.085 0.000 0.652 372 A CB 0.048 19.105 19.000 0.096 0.000 0.808 372 A HN 0.336 nan 8.150 nan 0.000 0.449 373 E N 0.252 120.472 120.200 0.033 0.000 2.114 373 E HA 0.552 4.866 4.350 -0.059 0.000 0.266 373 E C -1.269 175.330 176.600 -0.002 0.000 0.896 373 E CA -0.422 55.990 56.400 0.020 0.000 0.750 373 E CB 0.522 30.238 29.700 0.027 0.000 1.121 373 E HN 0.393 nan 8.360 nan 0.000 0.413 374 L N 5.231 126.439 121.223 -0.025 0.000 2.334 374 L HA 0.564 4.869 4.340 -0.059 0.000 0.273 374 L C -2.241 174.577 176.870 -0.087 0.000 1.013 374 L CA -2.656 52.145 54.840 -0.064 0.000 0.816 374 L CB 1.695 43.698 42.059 -0.093 0.000 1.278 374 L HN 0.469 nan 8.230 nan 0.000 0.431 375 P HA 0.043 nan 4.420 nan 0.000 0.276 375 P C 0.826 177.995 177.300 -0.219 0.000 1.235 375 P CA -0.310 62.711 63.100 -0.132 0.000 0.772 375 P CB 0.817 32.421 31.700 -0.159 0.000 0.871 376 L N 4.321 125.468 121.223 -0.127 0.000 2.103 376 L HA -0.256 4.049 4.340 -0.059 0.000 0.215 376 L C 2.055 178.621 176.870 -0.508 0.000 1.080 376 L CA 2.168 56.889 54.840 -0.199 0.000 0.764 376 L CB -0.693 41.342 42.059 -0.040 0.000 0.890 376 L HN 0.674 nan 8.230 nan 0.000 0.435 377 H N -1.374 117.446 119.070 -0.417 0.000 2.561 377 H HA -0.074 4.447 4.556 -0.059 0.000 0.278 377 H C 1.448 176.576 175.328 -0.333 0.000 1.014 377 H CA 1.303 57.008 56.048 -0.571 0.000 1.211 377 H CB -0.403 29.355 29.762 -0.006 0.000 1.365 377 H HN 0.472 nan 8.280 nan 0.000 0.594 378 T N -1.179 113.015 114.554 -0.600 0.000 3.129 378 T HA 0.202 4.516 4.350 -0.059 0.000 0.251 378 T C 1.655 176.240 174.700 -0.191 0.000 1.117 378 T CA -0.170 61.731 62.100 -0.331 0.000 1.034 378 T CB -0.165 68.522 68.868 -0.301 0.000 0.968 378 T HN 0.317 nan 8.240 nan 0.000 0.526 379 L N -0.508 120.525 121.223 -0.316 0.000 2.766 379 L HA 0.448 4.753 4.340 -0.059 0.000 0.242 379 L C -0.282 176.547 176.870 -0.068 0.000 1.136 379 L CA -0.552 54.162 54.840 -0.209 0.000 0.933 379 L CB 0.057 41.985 42.059 -0.218 0.000 1.241 379 L HN 0.149 nan 8.230 nan 0.000 0.522 380 F N 0.725 120.744 119.950 0.115 0.000 2.543 380 F HA 0.126 4.617 4.527 -0.060 0.000 0.375 380 F C 0.726 176.624 175.800 0.163 0.000 1.075 380 F CA -0.722 57.339 58.000 0.102 0.000 1.225 380 F CB -0.772 38.432 39.000 0.339 0.000 1.099 380 F HN -0.036 nan 8.300 nan 0.000 0.561 381 F N 0.468 120.528 119.950 0.183 0.000 3.091 381 F HA -0.316 4.176 4.527 -0.058 0.000 0.288 381 F C 0.546 176.362 175.800 0.027 0.000 0.907 381 F CA 0.225 58.266 58.000 0.068 0.000 1.028 381 F CB -1.391 37.620 39.000 0.018 0.000 1.022 381 F HN 0.518 nan 8.300 nan 0.000 0.665 382 N N 0.895 119.650 118.700 0.091 0.000 2.527 382 N HA 0.252 4.957 4.740 -0.059 0.000 0.236 382 N C 0.881 176.351 175.510 -0.067 0.000 0.999 382 N CA 0.589 53.646 53.050 0.012 0.000 0.935 382 N CB 1.069 39.490 38.487 -0.110 0.000 1.132 382 N HN 0.270 nan 8.380 nan 0.000 0.511 383 T N -0.181 114.357 114.554 -0.027 0.000 3.023 383 T HA 0.013 4.328 4.350 -0.059 0.000 0.249 383 T C 1.798 176.480 174.700 -0.030 0.000 1.050 383 T CA -0.317 61.736 62.100 -0.079 0.000 1.088 383 T CB -0.294 68.391 68.868 -0.305 0.000 0.946 383 T HN 0.646 nan 8.240 nan 0.000 0.480 384 W N 2.468 123.745 121.300 -0.039 0.000 2.392 384 W HA 0.075 4.701 4.660 -0.058 0.000 0.279 384 W C 1.459 177.992 176.519 0.023 0.000 1.225 384 W CA -0.020 57.317 57.345 -0.013 0.000 1.233 384 W CB -0.702 28.744 29.460 -0.023 0.000 1.122 384 W HN 0.074 nan 8.180 nan 0.000 0.561 385 R N 1.021 121.040 120.500 -0.802 0.000 2.115 385 R HA -0.042 4.262 4.340 -0.059 0.000 0.226 385 R C 2.165 178.319 176.300 -0.243 0.000 1.100 385 R CA 1.305 56.959 56.100 -0.743 0.000 0.980 385 R CB -0.735 29.076 30.300 -0.815 0.000 0.875 385 R HN 0.375 nan 8.270 nan 0.000 0.445 386 I N 0.628 121.102 120.570 -0.160 0.000 2.141 386 I HA -0.252 3.882 4.170 -0.059 0.000 0.236 386 I C 2.109 178.215 176.117 -0.018 0.000 1.071 386 I CA 0.951 62.206 61.300 -0.076 0.000 1.345 386 I CB -0.314 37.653 38.000 -0.055 0.000 1.066 386 I HN -0.037 nan 8.210 nan 0.000 0.406 387 I N 0.741 121.296 120.570 -0.025 0.000 2.226 387 I HA -0.242 3.892 4.170 -0.059 0.000 0.245 387 I C 2.022 178.256 176.117 0.194 0.000 1.100 387 I CA 1.742 63.073 61.300 0.053 0.000 1.374 387 I CB -1.212 36.853 38.000 0.108 0.000 1.057 387 I HN 0.170 nan 8.210 nan 0.000 0.413 388 K N -0.076 120.460 120.400 0.225 0.000 2.387 388 K HA 0.045 4.330 4.320 -0.059 0.000 0.198 388 K C -0.058 176.715 176.600 0.289 0.000 1.022 388 K CA 0.274 56.735 56.287 0.290 0.000 1.128 388 K CB 0.095 32.839 32.500 0.406 0.000 0.853 388 K HN 0.046 nan 8.250 nan 0.000 0.523 389 D N -1.170 119.365 120.400 0.224 0.000 2.940 389 D HA 0.268 4.873 4.640 -0.059 0.000 0.366 389 D C 0.257 176.772 176.300 0.359 0.000 1.446 389 D CA 0.472 54.648 54.000 0.294 0.000 0.780 389 D CB 0.474 41.373 40.800 0.166 0.000 1.206 389 D HN 0.141 nan 8.370 nan 0.000 0.454 390 G N -0.606 108.361 108.800 0.278 0.000 2.229 390 G HA2 0.202 4.127 3.960 -0.059 0.000 0.189 390 G HA3 0.202 4.127 3.960 -0.059 0.000 0.189 390 G C 0.950 175.777 174.900 -0.121 0.000 1.000 390 G CA 0.233 45.333 45.100 -0.001 0.000 0.663 390 G HN 1.131 nan 8.290 nan 0.000 0.493 391 G N -0.070 108.741 108.800 0.018 0.000 2.584 391 G HA2 0.020 3.944 3.960 -0.059 0.000 0.229 391 G HA3 0.020 3.944 3.960 -0.059 0.000 0.229 391 G C 0.942 175.800 174.900 -0.070 0.000 1.320 391 G CA 0.702 45.831 45.100 0.048 0.000 0.891 391 G HN 1.649 nan 8.290 nan 0.000 0.573 392 I N -2.934 117.580 120.570 -0.092 0.000 4.035 392 I HA 0.334 4.468 4.170 -0.059 0.000 0.321 392 I C 1.539 177.536 176.117 -0.200 0.000 1.289 392 I CA 1.176 62.400 61.300 -0.128 0.000 1.236 392 I CB 0.080 38.032 38.000 -0.081 0.000 1.076 392 I HN 0.289 nan 8.210 nan 0.000 0.418 393 D N 3.196 123.441 120.400 -0.259 0.000 2.106 393 D HA -0.113 4.491 4.640 -0.059 0.000 0.191 393 D C -0.511 175.592 176.300 -0.329 0.000 0.997 393 D CA 1.921 55.754 54.000 -0.279 0.000 0.834 393 D CB -1.463 39.160 40.800 -0.294 0.000 0.956 393 D HN 0.304 nan 8.370 nan 0.000 0.448 394 P HA -0.097 nan 4.420 nan 0.000 0.216 394 P C 1.536 178.651 177.300 -0.308 0.000 1.150 394 P CA 0.921 63.712 63.100 -0.516 0.000 0.837 394 P CB 0.021 31.206 31.700 -0.859 0.000 0.786 395 L N -1.675 119.403 121.223 -0.241 0.000 2.131 395 L HA -0.082 4.223 4.340 -0.059 0.000 0.206 395 L C 2.315 179.133 176.870 -0.086 0.000 1.087 395 L CA 0.940 55.697 54.840 -0.138 0.000 0.767 395 L CB -0.860 41.129 42.059 -0.117 0.000 0.917 395 L HN -0.163 nan 8.230 nan 0.000 0.441 396 V N -0.003 119.852 119.914 -0.098 0.000 2.515 396 V HA -0.229 3.855 4.120 -0.059 0.000 0.250 396 V C 2.549 178.645 176.094 0.003 0.000 1.058 396 V CA 1.568 63.846 62.300 -0.036 0.000 1.064 396 V CB -0.608 31.177 31.823 -0.063 0.000 0.675 396 V HN 0.420 nan 8.190 nan 0.000 0.461 397 R N 0.167 120.619 120.500 -0.079 0.000 2.092 397 R HA -0.046 4.258 4.340 -0.059 0.000 0.231 397 R C 2.476 178.842 176.300 0.110 0.000 1.119 397 R CA 1.269 57.349 56.100 -0.032 0.000 0.970 397 R CB -0.702 29.285 30.300 -0.520 0.000 0.864 397 R HN 0.567 nan 8.270 nan 0.000 0.440 398 G N 1.289 110.101 108.800 0.019 0.000 2.422 398 G HA2 -0.214 3.711 3.960 -0.059 0.000 0.218 398 G HA3 -0.214 3.711 3.960 -0.059 0.000 0.218 398 G C 1.450 176.408 174.900 0.097 0.000 1.146 398 G CA 0.312 45.447 45.100 0.058 0.000 0.769 398 G HN 0.111 nan 8.290 nan 0.000 0.547 399 L N -0.205 121.069 121.223 0.084 0.000 2.042 399 L HA -0.040 4.264 4.340 -0.059 0.000 0.210 399 L C 2.884 179.829 176.870 0.125 0.000 1.076 399 L CA 0.820 55.717 54.840 0.094 0.000 0.749 399 L CB -0.258 41.855 42.059 0.089 0.000 0.893 399 L HN 0.221 nan 8.230 nan 0.000 0.432 400 L N -1.133 120.200 121.223 0.183 0.000 2.131 400 L HA -0.070 4.235 4.340 -0.059 0.000 0.206 400 L C 2.500 179.550 176.870 0.300 0.000 1.087 400 L CA 0.937 55.913 54.840 0.226 0.000 0.767 400 L CB -0.498 41.764 42.059 0.337 0.000 0.917 400 L HN 0.182 nan 8.230 nan 0.000 0.441 401 A N -1.364 121.651 122.820 0.325 0.000 2.220 401 A HA 0.109 4.394 4.320 -0.059 0.000 0.211 401 A C 1.039 178.734 177.584 0.184 0.000 1.176 401 A CA 0.250 52.453 52.037 0.277 0.000 0.834 401 A CB 0.144 19.285 19.000 0.234 0.000 0.868 401 A HN 0.020 nan 8.150 nan 0.000 0.488 402 K N 0.423 120.916 120.400 0.155 0.000 2.210 402 K HA 0.511 4.796 4.320 -0.059 0.000 0.236 402 K C -0.679 175.998 176.600 0.129 0.000 1.016 402 K CA -0.368 55.995 56.287 0.127 0.000 0.913 402 K CB 0.900 33.465 32.500 0.107 0.000 1.141 402 K HN 0.139 nan 8.250 nan 0.000 0.462 403 K N 0.351 120.824 120.400 0.121 0.000 2.123 403 K HA 0.331 4.616 4.320 -0.059 0.000 0.248 403 K C 0.049 176.738 176.600 0.150 0.000 0.969 403 K CA -0.496 55.868 56.287 0.129 0.000 0.882 403 K CB 1.544 34.110 32.500 0.110 0.000 1.080 403 K HN 0.371 nan 8.250 nan 0.000 0.441 404 S N 0.778 116.590 115.700 0.187 0.000 2.634 404 S HA 0.107 4.541 4.470 -0.059 0.000 0.261 404 S C -0.229 174.486 174.600 0.192 0.000 1.271 404 S CA -0.482 57.856 58.200 0.230 0.000 0.985 404 S CB 0.624 64.047 63.200 0.371 0.000 0.968 404 S HN 0.407 nan 8.310 nan 0.000 0.568 405 K N 0.878 121.398 120.400 0.200 0.000 2.118 405 K HA 0.425 4.709 4.320 -0.059 0.000 0.267 405 K C -1.082 175.627 176.600 0.182 0.000 0.991 405 K CA -0.593 55.798 56.287 0.173 0.000 0.916 405 K CB 0.634 33.245 32.500 0.184 0.000 1.041 405 K HN 0.402 nan 8.250 nan 0.000 0.455 406 L N 4.839 126.142 121.223 0.133 0.000 2.275 406 L HA 0.260 4.564 4.340 -0.059 0.000 0.288 406 L C 0.015 176.944 176.870 0.098 0.000 1.046 406 L CA -0.362 54.549 54.840 0.119 0.000 0.805 406 L CB 1.249 43.350 42.059 0.071 0.000 1.193 406 L HN 0.749 nan 8.230 nan 0.000 0.426 407 M N 4.952 124.626 119.600 0.123 0.000 2.252 407 M HA 0.050 4.494 4.480 -0.059 0.000 0.329 407 M C -0.677 175.644 176.300 0.035 0.000 1.101 407 M CA 0.859 56.216 55.300 0.096 0.000 1.117 407 M CB -0.029 32.637 32.600 0.110 0.000 1.563 407 M HN 0.796 nan 8.290 nan 0.000 0.445 408 N N 3.275 121.976 118.700 0.002 0.000 2.578 408 N HA 0.142 4.847 4.740 -0.059 0.000 0.282 408 N C -0.046 175.439 175.510 -0.043 0.000 1.119 408 N CA -0.199 52.829 53.050 -0.037 0.000 0.948 408 N CB 1.095 39.528 38.487 -0.089 0.000 1.546 408 N HN 0.693 nan 8.380 nan 0.000 0.525 409 Q N 0.692 120.472 119.800 -0.033 0.000 2.268 409 Q HA -0.151 4.153 4.340 -0.059 0.000 0.210 409 Q C -0.021 175.964 176.000 -0.026 0.000 0.988 409 Q CA 1.612 57.397 55.803 -0.030 0.000 0.883 409 Q CB 0.249 28.970 28.738 -0.027 0.000 0.911 409 Q HN 0.579 nan 8.270 nan 0.000 0.430 410 D N -0.467 119.908 120.400 -0.042 0.000 2.367 410 D HA 0.053 4.658 4.640 -0.059 0.000 0.207 410 D C 0.002 176.263 176.300 -0.064 0.000 1.034 410 D CA 0.544 54.524 54.000 -0.034 0.000 0.861 410 D CB 0.478 41.255 40.800 -0.038 0.000 0.943 410 D HN 0.095 nan 8.370 nan 0.000 0.515 411 K N 0.727 121.030 120.400 -0.161 0.000 2.895 411 K HA 0.327 4.611 4.320 -0.059 0.000 0.191 411 K C 0.730 177.233 176.600 -0.161 0.000 1.117 411 K CA -0.070 55.949 56.287 -0.447 0.000 0.988 411 K CB 1.469 33.358 32.500 -1.018 0.000 1.181 411 K HN -0.141 nan 8.250 nan 0.000 0.598 412 M N -0.059 119.628 119.600 0.145 0.000 2.085 412 M HA 0.025 4.469 4.480 -0.059 0.000 0.258 412 M C 0.765 177.264 176.300 0.330 0.000 1.089 412 M CA 1.155 56.567 55.300 0.187 0.000 1.123 412 M CB 0.062 32.741 32.600 0.131 0.000 1.284 412 M HN 0.011 nan 8.290 nan 0.000 0.421 413 V N 0.617 120.768 119.914 0.396 0.000 2.513 413 V HA 0.195 4.280 4.120 -0.059 0.000 0.299 413 V C 0.180 176.431 176.094 0.262 0.000 1.035 413 V CA -0.808 61.701 62.300 0.349 0.000 0.889 413 V CB 1.510 33.522 31.823 0.314 0.000 0.988 413 V HN 0.364 nan 8.190 nan 0.000 0.440 414 T N 2.705 117.390 114.554 0.219 0.000 2.932 414 T HA 0.017 4.331 4.350 -0.059 0.000 0.312 414 T C 1.404 176.076 174.700 -0.045 0.000 1.071 414 T CA 0.354 62.467 62.100 0.023 0.000 1.128 414 T CB 0.793 69.742 68.868 0.134 0.000 0.984 414 T HN 0.793 nan 8.240 nan 0.000 0.549 415 S N 3.000 118.596 115.700 -0.173 0.000 2.465 415 S HA -0.076 4.358 4.470 -0.059 0.000 0.241 415 S C 1.864 176.483 174.600 0.033 0.000 1.000 415 S CA 0.636 58.783 58.200 -0.087 0.000 0.964 415 S CB -0.164 62.962 63.200 -0.124 0.000 0.763 415 S HN 0.705 nan 8.310 nan 0.000 0.512 416 E N 0.805 121.061 120.200 0.094 0.000 2.268 416 E HA 0.000 4.315 4.350 -0.059 0.000 0.195 416 E C 1.651 178.447 176.600 0.326 0.000 0.995 416 E CA 0.696 57.223 56.400 0.211 0.000 0.836 416 E CB -0.073 29.753 29.700 0.209 0.000 0.763 416 E HN 0.496 nan 8.360 nan 0.000 0.491 417 L N -0.852 120.505 121.223 0.225 0.000 2.500 417 L HA 0.182 4.487 4.340 -0.059 0.000 0.219 417 L C 2.404 179.338 176.870 0.107 0.000 1.057 417 L CA -0.003 54.945 54.840 0.181 0.000 0.854 417 L CB 0.113 42.242 42.059 0.117 0.000 1.078 417 L HN -0.101 nan 8.230 nan 0.000 0.480 418 R N 0.063 120.617 120.500 0.089 0.000 2.276 418 R HA 0.009 4.313 4.340 -0.059 0.000 0.203 418 R C 0.962 177.292 176.300 0.051 0.000 1.017 418 R CA 0.749 56.891 56.100 0.069 0.000 1.010 418 R CB 0.312 30.646 30.300 0.057 0.000 0.900 418 R HN 0.355 nan 8.270 nan 0.000 0.469 419 N N -0.929 117.802 118.700 0.053 0.000 2.149 419 N HA 0.050 4.754 4.740 -0.059 0.000 0.229 419 N C -0.242 175.299 175.510 0.052 0.000 1.284 419 N CA 0.293 53.356 53.050 0.022 0.000 0.864 419 N CB 0.848 39.319 38.487 -0.026 0.000 1.169 419 N HN 0.014 nan 8.380 nan 0.000 0.478 420 K N 0.888 121.361 120.400 0.122 0.000 2.758 420 K HA 0.275 4.559 4.320 -0.059 0.000 0.208 420 K C -0.427 176.453 176.600 0.466 0.000 1.091 420 K CA -0.308 56.094 56.287 0.192 0.000 1.059 420 K CB 1.094 33.575 32.500 -0.032 0.000 0.801 420 K HN -0.079 nan 8.250 nan 0.000 0.470 421 L N 1.309 122.741 121.223 0.350 0.000 2.367 421 L HA 0.297 4.601 4.340 -0.059 0.000 0.275 421 L C -0.571 176.468 176.870 0.282 0.000 1.129 421 L CA -0.229 54.731 54.840 0.201 0.000 0.839 421 L CB 0.210 42.246 42.059 -0.039 0.000 1.133 421 L HN 0.100 nan 8.230 nan 0.000 0.453 422 F N 4.929 124.928 119.950 0.081 0.000 2.411 422 F HA 0.395 4.886 4.527 -0.060 0.000 0.350 422 F C -0.052 175.713 175.800 -0.058 0.000 1.114 422 F CA -0.302 57.714 58.000 0.026 0.000 1.135 422 F CB 0.640 39.593 39.000 -0.078 0.000 1.120 422 F HN 0.470 nan 8.300 nan 0.000 0.495 423 Q N 8.155 127.528 119.800 -0.712 0.000 2.257 423 Q HA 0.227 4.531 4.340 -0.059 0.000 0.255 423 Q C -1.755 173.688 176.000 -0.928 0.000 0.920 423 Q CA -1.946 53.452 55.803 -0.674 0.000 0.927 423 Q CB 1.726 29.945 28.738 -0.864 0.000 1.229 423 Q HN 0.470 nan 8.270 nan 0.000 0.433 424 P HA -0.132 nan 4.420 nan 0.000 0.227 424 P C 0.573 177.551 177.300 -0.537 0.000 1.145 424 P CA 1.236 63.925 63.100 -0.683 0.000 0.769 424 P CB 0.496 31.916 31.700 -0.465 0.000 0.769 425 T N -2.355 111.843 114.554 -0.594 0.000 3.056 425 T HA 0.064 4.378 4.350 -0.059 0.000 0.241 425 T C 1.038 175.255 174.700 -0.805 0.000 1.006 425 T CA 0.282 61.974 62.100 -0.681 0.000 1.115 425 T CB -0.210 68.206 68.868 -0.754 0.000 0.939 425 T HN 0.253 nan 8.240 nan 0.000 0.462 426 H N 1.055 119.871 119.070 -0.424 0.000 2.523 426 H HA 0.412 4.932 4.556 -0.059 0.000 0.317 426 H C 0.748 175.799 175.328 -0.462 0.000 1.511 426 H CA -0.232 55.645 56.048 -0.285 0.000 1.499 426 H CB 1.032 30.790 29.762 -0.007 0.000 1.742 426 H HN 0.086 nan 8.280 nan 0.000 0.750 427 K N 0.211 120.545 120.400 -0.111 0.000 2.365 427 K HA 0.205 4.490 4.320 -0.059 0.000 0.195 427 K C 0.921 177.655 176.600 0.223 0.000 1.079 427 K CA 0.122 56.370 56.287 -0.066 0.000 0.979 427 K CB 0.562 33.161 32.500 0.164 0.000 0.929 427 K HN 0.411 nan 8.250 nan 0.000 0.523 428 I N -0.385 120.281 120.570 0.160 0.000 2.662 428 I HA 0.167 4.302 4.170 -0.059 0.000 0.291 428 I C -0.368 175.934 176.117 0.307 0.000 1.046 428 I CA -0.499 60.953 61.300 0.253 0.000 1.361 428 I CB 0.484 38.539 38.000 0.091 0.000 1.429 428 I HN -0.032 nan 8.210 nan 0.000 0.558 429 H N 3.225 122.503 119.070 0.346 0.000 2.588 429 H HA 0.439 4.959 4.556 -0.059 0.000 0.223 429 H C 0.718 176.164 175.328 0.197 0.000 1.804 429 H CA -0.077 56.215 56.048 0.407 0.000 1.269 429 H CB 0.514 30.516 29.762 0.400 0.000 1.670 429 H HN 0.876 nan 8.280 nan 0.000 0.539 430 G N 0.490 109.397 108.800 0.177 0.000 4.385 430 G HA2 0.080 4.005 3.960 -0.059 0.000 0.283 430 G HA3 0.080 4.005 3.960 -0.059 0.000 0.283 430 G C -0.274 174.541 174.900 -0.142 0.000 1.020 430 G CA -0.203 44.891 45.100 -0.011 0.000 0.790 430 G HN 0.176 nan 8.290 nan 0.000 0.420 431 F N 0.638 120.599 119.950 0.019 0.000 2.375 431 F HA 0.500 4.992 4.527 -0.059 0.000 0.313 431 F C 0.241 176.046 175.800 0.007 0.000 1.176 431 F CA -0.581 57.413 58.000 -0.010 0.000 1.142 431 F CB 1.223 40.181 39.000 -0.070 0.000 1.275 431 F HN -0.087 nan 8.300 nan 0.000 0.544 432 D N 1.616 122.140 120.400 0.208 0.000 2.438 432 D HA 0.137 4.741 4.640 -0.059 0.000 0.257 432 D C 0.704 177.044 176.300 0.067 0.000 1.148 432 D CA -0.360 53.706 54.000 0.111 0.000 0.902 432 D CB 0.865 41.720 40.800 0.091 0.000 1.062 432 D HN 0.370 nan 8.370 nan 0.000 0.518 433 L N 4.171 125.400 121.223 0.010 0.000 2.089 433 L HA -0.138 4.166 4.340 -0.059 0.000 0.213 433 L C 1.945 178.739 176.870 -0.127 0.000 1.079 433 L CA 2.518 57.299 54.840 -0.098 0.000 0.758 433 L CB -0.617 41.313 42.059 -0.214 0.000 0.891 433 L HN 0.460 nan 8.230 nan 0.000 0.433 434 A N -0.702 122.102 122.820 -0.027 0.000 1.858 434 A HA -0.106 4.179 4.320 -0.059 0.000 0.216 434 A C 2.471 180.020 177.584 -0.060 0.000 1.190 434 A CA 2.019 54.054 52.037 -0.003 0.000 0.617 434 A CB -1.263 17.893 19.000 0.260 0.000 0.827 434 A HN 0.562 nan 8.150 nan 0.000 0.443 435 A N -0.270 122.559 122.820 0.014 0.000 1.908 435 A HA -0.107 4.178 4.320 -0.059 0.000 0.218 435 A C 2.129 179.666 177.584 -0.079 0.000 1.181 435 A CA 1.638 53.669 52.037 -0.011 0.000 0.627 435 A CB -0.659 18.346 19.000 0.009 0.000 0.818 435 A HN 0.497 nan 8.150 nan 0.000 0.445 436 I N 0.199 120.747 120.570 -0.038 0.000 2.179 436 I HA -0.294 3.840 4.170 -0.059 0.000 0.242 436 I C 2.233 178.350 176.117 -0.001 0.000 1.088 436 I CA 1.320 62.645 61.300 0.042 0.000 1.357 436 I CB -0.464 37.606 38.000 0.118 0.000 1.051 436 I HN 0.307 nan 8.210 nan 0.000 0.409 437 N N 0.812 119.399 118.700 -0.188 0.000 2.061 437 N HA -0.187 4.517 4.740 -0.059 0.000 0.193 437 N C 1.948 177.359 175.510 -0.164 0.000 1.030 437 N CA 1.504 54.352 53.050 -0.338 0.000 0.856 437 N CB -0.522 37.284 38.487 -1.135 0.000 1.023 437 N HN 0.332 nan 8.380 nan 0.000 0.424 438 L N 0.646 121.795 121.223 -0.123 0.000 2.056 438 L HA -0.169 4.135 4.340 -0.059 0.000 0.207 438 L C 2.535 179.397 176.870 -0.013 0.000 1.078 438 L CA 1.037 55.903 54.840 0.044 0.000 0.749 438 L CB -0.386 41.752 42.059 0.132 0.000 0.901 438 L HN 0.138 nan 8.230 nan 0.000 0.433 439 Q N 0.229 119.936 119.800 -0.155 0.000 2.170 439 Q HA -0.237 4.067 4.340 -0.059 0.000 0.203 439 Q C 2.175 178.126 176.000 -0.080 0.000 0.976 439 Q CA 1.504 57.079 55.803 -0.380 0.000 0.858 439 Q CB -0.051 28.042 28.738 -1.076 0.000 0.907 439 Q HN 0.131 nan 8.270 nan 0.000 0.433 440 R N -1.207 119.410 120.500 0.195 0.000 2.153 440 R HA 0.016 4.320 4.340 -0.059 0.000 0.218 440 R C 2.138 178.678 176.300 0.400 0.000 1.072 440 R CA 1.028 57.469 56.100 0.569 0.000 0.990 440 R CB -1.009 29.661 30.300 0.616 0.000 0.889 440 R HN 0.420 nan 8.270 nan 0.000 0.452 441 C N 0.229 119.519 119.300 -0.017 0.000 2.432 441 C HA -0.031 4.394 4.460 -0.059 0.000 0.277 441 C C 2.424 177.360 174.990 -0.089 0.000 1.249 441 C CA 1.073 59.766 59.018 -0.541 0.000 1.725 441 C CB -0.633 26.919 27.740 -0.312 0.000 2.028 441 C HN 0.522 nan 8.230 nan 0.000 0.477 442 R N 0.204 120.783 120.500 0.131 0.000 2.073 442 R HA -0.102 4.202 4.340 -0.059 0.000 0.229 442 R C 1.954 178.455 176.300 0.335 0.000 1.120 442 R CA 1.710 57.965 56.100 0.258 0.000 0.967 442 R CB -0.553 29.960 30.300 0.355 0.000 0.862 442 R HN 0.544 nan 8.270 nan 0.000 0.436 443 D N 0.496 121.186 120.400 0.483 0.000 2.116 443 D HA -0.190 4.415 4.640 -0.059 0.000 0.193 443 D C 1.442 178.011 176.300 0.449 0.000 0.998 443 D CA 1.381 55.705 54.000 0.539 0.000 0.836 443 D CB -0.108 41.145 40.800 0.754 0.000 0.951 443 D HN 0.377 nan 8.370 nan 0.000 0.449 444 H N -1.086 118.166 119.070 0.302 0.000 2.556 444 H HA 0.178 4.699 4.556 -0.059 0.000 0.268 444 H C 1.033 176.333 175.328 -0.046 0.000 0.996 444 H CA 0.432 56.626 56.048 0.244 0.000 1.157 444 H CB 0.096 30.106 29.762 0.414 0.000 1.355 444 H HN 0.286 nan 8.280 nan 0.000 0.597 445 G N 1.825 110.529 108.800 -0.160 0.000 2.323 445 G HA2 -0.280 3.645 3.960 -0.059 0.000 0.292 445 G HA3 -0.280 3.645 3.960 -0.059 0.000 0.292 445 G C 0.276 175.038 174.900 -0.231 0.000 1.040 445 G CA -0.055 44.668 45.100 -0.629 0.000 0.942 445 G HN 0.147 nan 8.290 nan 0.000 0.506 446 M N -0.240 119.337 119.600 -0.038 0.000 2.238 446 M HA 0.229 4.673 4.480 -0.059 0.000 0.347 446 M C -1.611 174.782 176.300 0.155 0.000 1.173 446 M CA -1.831 53.523 55.300 0.090 0.000 1.147 446 M CB 0.030 32.616 32.600 -0.023 0.000 1.547 446 M HN -0.023 nan 8.290 nan 0.000 0.455 447 P HA 0.153 nan 4.420 nan 0.000 0.272 447 P C 0.227 177.612 177.300 0.141 0.000 1.240 447 P CA -0.159 62.968 63.100 0.045 0.000 0.791 447 P CB 0.439 31.953 31.700 -0.310 0.000 0.978 448 G N -0.309 108.511 108.800 0.034 0.000 2.683 448 G HA2 -0.076 3.849 3.960 -0.059 0.000 0.260 448 G HA3 -0.076 3.849 3.960 -0.059 0.000 0.260 448 G C 0.346 175.372 174.900 0.210 0.000 1.238 448 G CA -0.058 45.099 45.100 0.095 0.000 0.934 448 G HN 0.479 nan 8.290 nan 0.000 0.534 449 Y N 0.328 120.667 120.300 0.065 0.000 2.097 449 Y HA -0.212 4.303 4.550 -0.060 0.000 0.282 449 Y C 2.673 178.635 175.900 0.103 0.000 1.152 449 Y CA 2.492 60.654 58.100 0.104 0.000 1.136 449 Y CB -0.197 38.253 38.460 -0.017 0.000 0.975 449 Y HN 0.416 nan 8.280 nan 0.000 0.498 450 N N -0.237 118.454 118.700 -0.014 0.000 2.289 450 N HA -0.159 4.545 4.740 -0.059 0.000 0.184 450 N C 2.021 177.450 175.510 -0.134 0.000 1.016 450 N CA 1.336 54.305 53.050 -0.134 0.000 0.872 450 N CB -0.425 38.046 38.487 -0.026 0.000 0.973 450 N HN 0.339 nan 8.380 nan 0.000 0.433 451 S N -0.513 115.090 115.700 -0.161 0.000 2.368 451 S HA -0.080 4.355 4.470 -0.059 0.000 0.225 451 S C 1.547 175.928 174.600 -0.365 0.000 1.030 451 S CA 0.796 58.809 58.200 -0.312 0.000 0.999 451 S CB -0.220 62.697 63.200 -0.471 0.000 0.844 451 S HN 0.503 nan 8.310 nan 0.000 0.459 452 W N 1.551 122.831 121.300 -0.032 0.000 2.467 452 W HA 0.105 4.730 4.660 -0.058 0.000 0.275 452 W C 2.434 178.960 176.519 0.011 0.000 1.239 452 W CA -0.198 57.152 57.345 0.008 0.000 1.266 452 W CB 0.030 29.482 29.460 -0.012 0.000 1.112 452 W HN 0.074 nan 8.180 nan 0.000 0.576 453 R N -0.134 120.371 120.500 0.008 0.000 2.090 453 R HA -0.018 4.287 4.340 -0.059 0.000 0.228 453 R C 2.321 178.639 176.300 0.029 0.000 1.110 453 R CA 1.417 57.478 56.100 -0.065 0.000 0.973 453 R CB -1.338 28.794 30.300 -0.280 0.000 0.869 453 R HN 0.320 nan 8.270 nan 0.000 0.440 454 G N 0.365 109.176 108.800 0.019 0.000 2.402 454 G HA2 -0.276 3.649 3.960 -0.059 0.000 0.216 454 G HA3 -0.276 3.649 3.960 -0.059 0.000 0.216 454 G C 1.337 176.292 174.900 0.091 0.000 1.162 454 G CA 0.181 45.297 45.100 0.028 0.000 0.777 454 G HN 0.254 nan 8.290 nan 0.000 0.539 455 F N 1.441 121.385 119.950 -0.010 0.000 2.091 455 F HA -0.177 4.314 4.527 -0.060 0.000 0.299 455 F C 2.214 178.076 175.800 0.103 0.000 1.103 455 F CA 1.380 59.410 58.000 0.050 0.000 1.228 455 F CB -0.359 38.737 39.000 0.160 0.000 0.984 455 F HN 0.165 nan 8.300 nan 0.000 0.477 456 c N 0.886 119.597 118.600 0.185 0.000 2.613 456 c HA 0.393 4.927 4.570 -0.059 0.000 0.273 456 c C 1.651 175.806 174.090 0.107 0.000 1.304 456 c CA 0.524 56.921 56.329 0.112 0.000 1.702 456 c CB -1.489 41.143 42.510 0.203 0.000 1.792 456 c HN 0.894 nan 8.230 nan 0.000 0.588 457 G N 1.246 110.074 108.800 0.047 0.000 2.246 457 G HA2 -0.239 3.686 3.960 -0.059 0.000 0.273 457 G HA3 -0.239 3.686 3.960 -0.059 0.000 0.273 457 G C -0.243 174.682 174.900 0.042 0.000 1.055 457 G CA 0.058 45.175 45.100 0.029 0.000 0.851 457 G HN 0.558 nan 8.290 nan 0.000 0.500 458 L N 0.476 121.724 121.223 0.043 0.000 2.330 458 L HA 0.659 4.964 4.340 -0.059 0.000 0.271 458 L C 1.325 178.197 176.870 0.004 0.000 1.013 458 L CA -0.640 54.219 54.840 0.032 0.000 0.816 458 L CB 1.783 43.863 42.059 0.035 0.000 1.287 458 L HN 0.386 nan 8.230 nan 0.000 0.435 459 S N 1.032 116.737 115.700 0.008 0.000 2.566 459 S HA 0.106 4.541 4.470 -0.059 0.000 0.280 459 S C -0.370 174.223 174.600 -0.012 0.000 1.343 459 S CA -0.513 57.689 58.200 0.003 0.000 1.036 459 S CB 0.405 63.614 63.200 0.015 0.000 0.866 459 S HN 0.613 nan 8.310 nan 0.000 0.526 460 Q N 1.702 121.497 119.800 -0.008 0.000 2.401 460 Q HA 0.380 4.684 4.340 -0.059 0.000 0.260 460 Q C -2.653 173.362 176.000 0.025 0.000 1.034 460 Q CA -1.963 53.832 55.803 -0.014 0.000 0.737 460 Q CB 1.319 30.041 28.738 -0.026 0.000 1.227 460 Q HN 0.551 nan 8.270 nan 0.000 0.488 461 P HA 0.093 nan 4.420 nan 0.000 0.276 461 P C -0.127 177.211 177.300 0.063 0.000 1.230 461 P CA -0.300 62.840 63.100 0.067 0.000 0.776 461 P CB 1.238 32.994 31.700 0.092 0.000 0.888 462 K N 0.264 120.691 120.400 0.044 0.000 2.391 462 K HA 0.128 4.412 4.320 -0.059 0.000 0.197 462 K C 0.838 177.458 176.600 0.032 0.000 1.087 462 K CA 0.599 56.910 56.287 0.040 0.000 1.012 462 K CB 0.410 32.931 32.500 0.035 0.000 0.925 462 K HN 0.612 nan 8.250 nan 0.000 0.547 463 T N -2.207 112.364 114.554 0.027 0.000 2.942 463 T HA 0.327 4.642 4.350 -0.059 0.000 0.289 463 T C 1.190 175.897 174.700 0.012 0.000 1.044 463 T CA -0.847 61.263 62.100 0.017 0.000 1.023 463 T CB 1.762 70.640 68.868 0.017 0.000 1.123 463 T HN -0.093 nan 8.240 nan 0.000 0.512 464 L N 0.416 121.641 121.223 0.003 0.000 1.990 464 L HA -0.139 4.166 4.340 -0.059 0.000 0.213 464 L C 2.622 179.495 176.870 0.005 0.000 1.072 464 L CA 2.039 56.878 54.840 -0.001 0.000 0.755 464 L CB -0.468 41.588 42.059 -0.006 0.000 0.889 464 L HN 0.792 nan 8.230 nan 0.000 0.432 465 K N 0.173 120.577 120.400 0.007 0.000 2.103 465 K HA -0.140 4.145 4.320 -0.059 0.000 0.207 465 K C 1.831 178.440 176.600 0.015 0.000 1.048 465 K CA 1.568 57.860 56.287 0.009 0.000 0.930 465 K CB -0.858 31.648 32.500 0.009 0.000 0.716 465 K HN 0.490 nan 8.250 nan 0.000 0.444 466 G N 0.400 109.211 108.800 0.019 0.000 2.421 466 G HA2 -0.229 3.696 3.960 -0.059 0.000 0.216 466 G HA3 -0.229 3.696 3.960 -0.059 0.000 0.216 466 G C 1.375 176.296 174.900 0.036 0.000 1.171 466 G CA 0.882 45.999 45.100 0.028 0.000 0.775 466 G HN 0.339 nan 8.290 nan 0.000 0.543 467 L N 0.351 121.593 121.223 0.032 0.000 2.291 467 L HA 0.094 4.398 4.340 -0.059 0.000 0.214 467 L C 2.809 179.688 176.870 0.016 0.000 1.120 467 L CA 1.446 56.305 54.840 0.032 0.000 0.799 467 L CB -0.326 41.738 42.059 0.009 0.000 0.925 467 L HN 0.307 nan 8.230 nan 0.000 0.446 468 Q N -1.378 118.429 119.800 0.010 0.000 2.079 468 Q HA -0.150 4.154 4.340 -0.059 0.000 0.200 468 Q C 1.908 177.915 176.000 0.012 0.000 0.974 468 Q CA 2.035 57.841 55.803 0.005 0.000 0.840 468 Q CB -0.258 28.483 28.738 0.004 0.000 0.898 468 Q HN 0.519 nan 8.270 nan 0.000 0.430 469 T N 0.526 115.091 114.554 0.018 0.000 2.746 469 T HA -0.110 4.204 4.350 -0.059 0.000 0.267 469 T C 2.036 176.754 174.700 0.029 0.000 1.039 469 T CA 1.272 63.385 62.100 0.021 0.000 1.142 469 T CB -0.224 68.657 68.868 0.022 0.000 0.866 469 T HN 0.039 nan 8.240 nan 0.000 0.444 470 V N 0.814 120.753 119.914 0.043 0.000 2.453 470 V HA -0.001 4.083 4.120 -0.059 0.000 0.247 470 V C 2.209 178.334 176.094 0.051 0.000 1.048 470 V CA 1.117 63.454 62.300 0.062 0.000 1.049 470 V CB -0.406 31.483 31.823 0.109 0.000 0.672 470 V HN 0.302 nan 8.190 nan 0.000 0.457 471 L N -0.601 120.640 121.223 0.030 0.000 2.446 471 L HA 0.184 4.489 4.340 -0.059 0.000 0.219 471 L C 1.208 178.080 176.870 0.003 0.000 1.116 471 L CA 0.767 55.611 54.840 0.006 0.000 0.844 471 L CB -0.887 41.158 42.059 -0.023 0.000 0.970 471 L HN 0.336 nan 8.230 nan 0.000 0.457 472 K N 1.018 121.423 120.400 0.007 0.000 3.150 472 K HA -0.225 4.060 4.320 -0.059 0.000 0.267 472 K C -0.150 176.450 176.600 -0.001 0.000 1.028 472 K CA 0.444 56.734 56.287 0.005 0.000 0.753 472 K CB -1.451 31.052 32.500 0.006 0.000 1.288 472 K HN 0.315 nan 8.250 nan 0.000 0.473 473 N N 0.231 118.929 118.700 -0.004 0.000 2.648 473 N HA 0.133 4.838 4.740 -0.059 0.000 0.272 473 N C 0.063 175.569 175.510 -0.007 0.000 1.118 473 N CA -0.555 52.491 53.050 -0.007 0.000 0.973 473 N CB 1.246 39.725 38.487 -0.012 0.000 1.565 473 N HN -0.003 nan 8.380 nan 0.000 0.542 474 K N 2.435 122.832 120.400 -0.004 0.000 2.007 474 K HA 0.091 4.375 4.320 -0.059 0.000 0.206 474 K C 1.771 178.368 176.600 -0.004 0.000 1.047 474 K CA 0.828 57.113 56.287 -0.003 0.000 0.937 474 K CB 0.193 32.692 32.500 -0.001 0.000 0.718 474 K HN 0.464 nan 8.250 nan 0.000 0.438 475 I N 1.404 121.972 120.570 -0.003 0.000 2.091 475 I HA -0.289 3.846 4.170 -0.059 0.000 0.239 475 I C 2.466 178.581 176.117 -0.003 0.000 1.061 475 I CA 1.256 62.555 61.300 -0.001 0.000 1.317 475 I CB -1.051 36.950 38.000 0.001 0.000 1.031 475 I HN 0.177 nan 8.210 nan 0.000 0.401 476 L N 1.486 122.705 121.223 -0.007 0.000 2.012 476 L HA -0.169 4.136 4.340 -0.059 0.000 0.210 476 L C 2.622 179.483 176.870 -0.016 0.000 1.073 476 L CA 2.346 57.179 54.840 -0.011 0.000 0.748 476 L CB -0.944 41.102 42.059 -0.021 0.000 0.891 476 L HN 0.237 nan 8.230 nan 0.000 0.431 477 A N -0.895 121.913 122.820 -0.020 0.000 1.948 477 A HA -0.305 3.979 4.320 -0.059 0.000 0.220 477 A C 2.460 180.036 177.584 -0.013 0.000 1.177 477 A CA 2.224 54.247 52.037 -0.023 0.000 0.636 477 A CB -0.618 18.372 19.000 -0.017 0.000 0.815 477 A HN 0.536 nan 8.150 nan 0.000 0.449 478 K N -0.339 120.057 120.400 -0.008 0.000 2.007 478 K HA -0.106 4.178 4.320 -0.059 0.000 0.206 478 K C 2.109 178.708 176.600 -0.002 0.000 1.047 478 K CA 1.486 57.769 56.287 -0.006 0.000 0.937 478 K CB -0.174 32.324 32.500 -0.005 0.000 0.718 478 K HN 0.427 nan 8.250 nan 0.000 0.438 479 K N 0.477 120.879 120.400 0.003 0.000 2.020 479 K HA -0.206 4.078 4.320 -0.059 0.000 0.212 479 K C 2.100 178.715 176.600 0.025 0.000 1.050 479 K CA 1.419 57.711 56.287 0.009 0.000 0.929 479 K CB -0.298 32.210 32.500 0.014 0.000 0.714 479 K HN 0.049 nan 8.250 nan 0.000 0.443 480 L N 1.025 122.274 121.223 0.043 0.000 2.012 480 L HA -0.199 4.106 4.340 -0.059 0.000 0.210 480 L C 2.330 179.276 176.870 0.127 0.000 1.073 480 L CA 1.716 56.624 54.840 0.114 0.000 0.748 480 L CB -0.493 41.586 42.059 0.034 0.000 0.891 480 L HN 0.257 nan 8.230 nan 0.000 0.431 481 M N -0.982 118.641 119.600 0.039 0.000 2.108 481 M HA -0.211 4.234 4.480 -0.059 0.000 0.261 481 M C 1.924 178.210 176.300 -0.022 0.000 1.066 481 M CA 1.505 56.808 55.300 0.005 0.000 1.107 481 M CB -1.294 31.292 32.600 -0.022 0.000 1.356 481 M HN 0.245 nan 8.290 nan 0.000 0.406 482 D N 0.098 120.483 120.400 -0.024 0.000 2.178 482 D HA -0.097 4.507 4.640 -0.059 0.000 0.201 482 D C 2.228 178.487 176.300 -0.069 0.000 0.980 482 D CA 1.047 55.019 54.000 -0.048 0.000 0.842 482 D CB -0.133 40.647 40.800 -0.033 0.000 0.948 482 D HN 0.340 nan 8.370 nan 0.000 0.472 483 L N -1.064 120.118 121.223 -0.068 0.000 2.127 483 L HA -0.097 4.208 4.340 -0.059 0.000 0.203 483 L C 1.779 178.510 176.870 -0.231 0.000 1.080 483 L CA 0.782 55.518 54.840 -0.174 0.000 0.768 483 L CB -0.080 41.823 42.059 -0.260 0.000 0.924 483 L HN 0.021 nan 8.230 nan 0.000 0.444 484 Y N -1.060 119.191 120.300 -0.081 0.000 2.458 484 Y HA 0.048 4.562 4.550 -0.059 0.000 0.254 484 Y C 1.243 177.036 175.900 -0.179 0.000 1.120 484 Y CA -0.462 57.587 58.100 -0.086 0.000 1.282 484 Y CB 0.386 38.808 38.460 -0.063 0.000 1.109 484 Y HN -0.060 nan 8.280 nan 0.000 0.526 485 K N -0.392 119.919 120.400 -0.148 0.000 3.539 485 K HA -0.282 4.003 4.320 -0.059 0.000 0.283 485 K C 0.437 176.810 176.600 -0.378 0.000 1.072 485 K CA 1.877 57.889 56.287 -0.459 0.000 1.092 485 K CB -1.796 30.022 32.500 -1.137 0.000 1.433 485 K HN 0.384 nan 8.250 nan 0.000 0.429 486 T N -0.930 113.545 114.554 -0.130 0.000 2.993 486 T HA 0.465 4.779 4.350 -0.059 0.000 0.312 486 T C -2.577 172.129 174.700 0.010 0.000 1.115 486 T CA -1.471 60.612 62.100 -0.028 0.000 1.027 486 T CB 2.192 71.111 68.868 0.084 0.000 1.116 486 T HN -0.258 nan 8.240 nan 0.000 0.464 487 P HA 0.021 nan 4.420 nan 0.000 0.225 487 P C 0.832 178.171 177.300 0.066 0.000 1.148 487 P CA 0.614 63.730 63.100 0.026 0.000 0.779 487 P CB 0.207 31.958 31.700 0.086 0.000 0.780 488 D N -0.819 119.614 120.400 0.056 0.000 2.178 488 D HA -0.108 4.496 4.640 -0.059 0.000 0.201 488 D C 1.307 177.618 176.300 0.018 0.000 0.980 488 D CA 1.064 55.091 54.000 0.045 0.000 0.842 488 D CB -0.517 40.308 40.800 0.041 0.000 0.948 488 D HN 0.157 nan 8.370 nan 0.000 0.472 489 N N 0.113 118.818 118.700 0.009 0.000 2.422 489 N HA 0.066 4.771 4.740 -0.059 0.000 0.181 489 N C 0.419 175.840 175.510 -0.148 0.000 1.080 489 N CA -0.042 53.008 53.050 -0.000 0.000 0.893 489 N CB 0.289 38.852 38.487 0.126 0.000 0.973 489 N HN 0.236 nan 8.380 nan 0.000 0.456 490 I N 1.956 122.277 120.570 -0.416 0.000 2.741 490 I HA -0.107 4.028 4.170 -0.059 0.000 0.288 490 I C 0.285 176.184 176.117 -0.364 0.000 1.192 490 I CA 0.329 61.066 61.300 -0.940 0.000 1.426 490 I CB 0.260 37.798 38.000 -0.770 0.000 1.367 490 I HN -0.047 nan 8.210 nan 0.000 0.563 491 D N 6.176 126.418 120.400 -0.262 0.000 2.458 491 D HA -0.048 4.556 4.640 -0.059 0.000 0.243 491 D C 1.173 177.505 176.300 0.053 0.000 1.146 491 D CA -0.006 54.016 54.000 0.037 0.000 0.877 491 D CB 1.387 42.298 40.800 0.185 0.000 1.176 491 D HN 0.449 nan 8.370 nan 0.000 0.461 492 I N 3.211 123.856 120.570 0.126 0.000 2.248 492 I HA -0.230 3.904 4.170 -0.059 0.000 0.248 492 I C 1.847 178.037 176.117 0.121 0.000 1.107 492 I CA 1.310 62.703 61.300 0.155 0.000 1.373 492 I CB -0.219 37.827 38.000 0.076 0.000 1.055 492 I HN 0.610 nan 8.210 nan 0.000 0.418 493 W N 0.894 122.191 121.300 -0.006 0.000 2.335 493 W HA -0.234 4.390 4.660 -0.060 0.000 0.311 493 W C 2.399 178.954 176.519 0.060 0.000 1.213 493 W CA 2.362 59.738 57.345 0.052 0.000 1.274 493 W CB -0.460 29.054 29.460 0.089 0.000 1.148 493 W HN 0.229 nan 8.180 nan 0.000 0.498 494 I N 0.052 120.556 120.570 -0.109 0.000 2.716 494 I HA 0.013 4.148 4.170 -0.059 0.000 0.259 494 I C 2.309 178.252 176.117 -0.289 0.000 1.172 494 I CA 1.341 62.442 61.300 -0.332 0.000 1.478 494 I CB -0.871 37.092 38.000 -0.061 0.000 1.104 494 I HN 0.103 nan 8.210 nan 0.000 0.439 495 G N 0.366 109.031 108.800 -0.226 0.000 2.453 495 G HA2 -0.245 3.680 3.960 -0.059 0.000 0.215 495 G HA3 -0.245 3.680 3.960 -0.059 0.000 0.215 495 G C 1.603 176.409 174.900 -0.157 0.000 1.201 495 G CA 0.743 45.614 45.100 -0.383 0.000 0.784 495 G HN 0.483 nan 8.290 nan 0.000 0.545 496 G N 0.710 109.531 108.800 0.035 0.000 2.440 496 G HA2 -0.246 3.679 3.960 -0.059 0.000 0.218 496 G HA3 -0.246 3.679 3.960 -0.059 0.000 0.218 496 G C 1.682 176.550 174.900 -0.053 0.000 1.154 496 G CA 1.034 46.169 45.100 0.058 0.000 0.767 496 G HN 0.429 nan 8.290 nan 0.000 0.552 497 N N 0.958 119.547 118.700 -0.186 0.000 2.457 497 N HA 0.024 4.729 4.740 -0.059 0.000 0.180 497 N C 2.330 177.747 175.510 -0.155 0.000 1.050 497 N CA 0.819 53.753 53.050 -0.195 0.000 0.906 497 N CB -0.024 38.240 38.487 -0.371 0.000 0.968 497 N HN 0.343 nan 8.380 nan 0.000 0.445 498 A N 1.177 123.896 122.820 -0.170 0.000 2.016 498 A HA -0.037 4.247 4.320 -0.059 0.000 0.217 498 A C 0.878 178.416 177.584 -0.077 0.000 1.162 498 A CA 0.396 52.353 52.037 -0.134 0.000 0.662 498 A CB -0.114 18.777 19.000 -0.181 0.000 0.812 498 A HN 0.254 nan 8.150 nan 0.000 0.450 499 E N 1.594 121.767 120.200 -0.044 0.000 2.413 499 E HA 0.163 4.477 4.350 -0.059 0.000 0.263 499 E C -2.250 174.347 176.600 -0.005 0.000 1.015 499 E CA -1.649 54.754 56.400 0.004 0.000 0.916 499 E CB 0.172 29.907 29.700 0.058 0.000 0.947 499 E HN 0.363 nan 8.360 nan 0.000 0.440 500 P HA -0.060 nan 4.420 nan 0.000 0.270 500 P C -0.371 176.928 177.300 -0.002 0.000 1.223 500 P CA 0.165 63.264 63.100 -0.002 0.000 0.785 500 P CB 0.628 32.329 31.700 0.002 0.000 0.923 501 M N 0.826 120.422 119.600 -0.007 0.000 2.226 501 M HA 0.149 4.594 4.480 -0.059 0.000 0.324 501 M C 0.768 177.063 176.300 -0.009 0.000 1.112 501 M CA -0.473 54.819 55.300 -0.014 0.000 1.176 501 M CB 0.478 33.069 32.600 -0.015 0.000 1.430 501 M HN 0.183 nan 8.290 nan 0.000 0.462 502 V N -0.736 119.169 119.914 -0.014 0.000 3.036 502 V HA 0.349 4.433 4.120 -0.059 0.000 0.308 502 V C -0.030 176.055 176.094 -0.015 0.000 1.070 502 V CA -0.993 61.304 62.300 -0.005 0.000 1.056 502 V CB 1.142 32.969 31.823 0.006 0.000 1.084 502 V HN 0.873 nan 8.190 nan 0.000 0.471 503 E N 2.471 122.664 120.200 -0.010 0.000 2.585 503 E HA 0.082 4.397 4.350 -0.059 0.000 0.252 503 E C 0.418 177.001 176.600 -0.029 0.000 0.981 503 E CA 0.345 56.734 56.400 -0.018 0.000 0.943 503 E CB 0.054 29.746 29.700 -0.013 0.000 0.923 503 E HN 0.693 nan 8.360 nan 0.000 0.486 504 R N 1.012 121.488 120.500 -0.039 0.000 4.016 504 R HA -0.179 4.126 4.340 -0.059 0.000 0.385 504 R C 0.237 176.493 176.300 -0.074 0.000 1.158 504 R CA 1.063 57.129 56.100 -0.057 0.000 1.117 504 R CB -2.308 27.960 30.300 -0.054 0.000 1.635 504 R HN 0.634 nan 8.270 nan 0.000 0.560 505 G N -0.938 107.824 108.800 -0.063 0.000 2.938 505 G HA2 0.628 4.553 3.960 -0.059 0.000 0.258 505 G HA3 0.628 4.553 3.960 -0.059 0.000 0.258 505 G C 0.393 175.257 174.900 -0.060 0.000 1.356 505 G CA -0.486 44.570 45.100 -0.074 0.000 1.052 505 G HN 0.021 nan 8.290 nan 0.000 0.550 506 R N -0.863 119.605 120.500 -0.054 0.000 2.549 506 R HA 0.264 4.568 4.340 -0.059 0.000 0.399 506 R C -0.124 176.124 176.300 -0.087 0.000 0.964 506 R CA 0.003 56.105 56.100 0.003 0.000 1.173 506 R CB 0.329 30.749 30.300 0.200 0.000 1.535 506 R HN 0.559 nan 8.270 nan 0.000 0.551 507 V N -4.030 115.783 119.914 -0.168 0.000 3.181 507 V HA 0.947 5.032 4.120 -0.059 0.000 0.308 507 V C 0.194 176.221 176.094 -0.111 0.000 1.214 507 V CA -0.921 61.249 62.300 -0.217 0.000 1.053 507 V CB 1.777 33.333 31.823 -0.445 0.000 1.069 507 V HN 0.040 nan 8.190 nan 0.000 0.441 508 G N -0.031 108.724 108.800 -0.075 0.000 2.532 508 G HA2 0.608 4.533 3.960 -0.059 0.000 0.291 508 G HA3 0.608 4.533 3.960 -0.059 0.000 0.291 508 G C -1.958 172.944 174.900 0.003 0.000 1.349 508 G CA -1.018 44.070 45.100 -0.020 0.000 1.038 508 G HN 0.634 nan 8.290 nan 0.000 0.518 509 P HA -0.118 nan 4.420 nan 0.000 0.214 509 P C 2.120 179.462 177.300 0.070 0.000 1.163 509 P CA 0.527 63.676 63.100 0.081 0.000 0.889 509 P CB 0.100 31.853 31.700 0.090 0.000 0.790 510 L N -1.148 120.115 121.223 0.067 0.000 1.970 510 L HA -0.157 4.147 4.340 -0.059 0.000 0.212 510 L C 2.182 179.057 176.870 0.008 0.000 1.071 510 L CA 1.962 56.839 54.840 0.063 0.000 0.751 510 L CB -1.618 40.502 42.059 0.103 0.000 0.889 510 L HN -0.143 nan 8.230 nan 0.000 0.432 511 L N -0.099 121.117 121.223 -0.013 0.000 2.042 511 L HA -0.149 4.156 4.340 -0.059 0.000 0.210 511 L C 2.686 179.485 176.870 -0.118 0.000 1.076 511 L CA 2.037 56.840 54.840 -0.062 0.000 0.749 511 L CB -1.621 40.383 42.059 -0.093 0.000 0.893 511 L HN 0.399 nan 8.230 nan 0.000 0.432 512 A N -1.444 121.301 122.820 -0.125 0.000 1.917 512 A HA -0.340 3.945 4.320 -0.059 0.000 0.219 512 A C 2.621 179.952 177.584 -0.422 0.000 1.182 512 A CA 2.044 53.985 52.037 -0.160 0.000 0.633 512 A CB -1.515 17.476 19.000 -0.016 0.000 0.819 512 A HN 0.635 nan 8.150 nan 0.000 0.448 513 c N -0.438 117.855 118.600 -0.511 0.000 2.432 513 c HA -0.033 4.501 4.570 -0.059 0.000 0.277 513 c C 2.607 176.294 174.090 -0.673 0.000 1.249 513 c CA 1.212 56.856 56.329 -1.143 0.000 1.725 513 c CB -1.558 40.606 42.510 -0.576 0.000 2.028 513 c HN 0.574 nan 8.230 nan 0.000 0.477 514 L N 0.455 121.561 121.223 -0.195 0.000 1.994 514 L HA -0.118 4.186 4.340 -0.059 0.000 0.208 514 L C 2.780 179.742 176.870 0.154 0.000 1.071 514 L CA 1.626 56.517 54.840 0.085 0.000 0.745 514 L CB -0.788 41.303 42.059 0.053 0.000 0.892 514 L HN 0.401 nan 8.230 nan 0.000 0.431 515 L N -0.334 120.938 121.223 0.083 0.000 1.994 515 L HA -0.143 4.162 4.340 -0.059 0.000 0.208 515 L C 2.758 179.787 176.870 0.266 0.000 1.071 515 L CA 1.522 56.522 54.840 0.267 0.000 0.745 515 L CB -1.342 40.821 42.059 0.173 0.000 0.892 515 L HN 0.318 nan 8.230 nan 0.000 0.431 516 G N -0.120 108.686 108.800 0.010 0.000 2.513 516 G HA2 -0.296 3.629 3.960 -0.059 0.000 0.219 516 G HA3 -0.296 3.629 3.960 -0.059 0.000 0.219 516 G C 1.732 176.714 174.900 0.137 0.000 1.160 516 G CA 0.925 46.052 45.100 0.044 0.000 0.767 516 G HN 0.290 nan 8.290 nan 0.000 0.571 517 R N -0.444 120.055 120.500 -0.001 0.000 2.073 517 R HA -0.093 4.211 4.340 -0.059 0.000 0.234 517 R C 2.692 179.088 176.300 0.161 0.000 1.134 517 R CA 1.580 57.727 56.100 0.079 0.000 0.952 517 R CB -0.416 29.830 30.300 -0.091 0.000 0.850 517 R HN 0.382 nan 8.270 nan 0.000 0.433 518 Q N 0.370 120.291 119.800 0.203 0.000 2.045 518 Q HA -0.172 4.132 4.340 -0.059 0.000 0.206 518 Q C 1.732 177.610 176.000 -0.204 0.000 0.991 518 Q CA 1.935 57.697 55.803 -0.068 0.000 0.851 518 Q CB -0.328 27.991 28.738 -0.698 0.000 0.911 518 Q HN 0.235 nan 8.270 nan 0.000 0.418 519 F N 0.701 120.649 119.950 -0.004 0.000 2.171 519 F HA -0.170 4.321 4.527 -0.059 0.000 0.300 519 F C 2.529 178.486 175.800 0.262 0.000 1.090 519 F CA 1.608 59.690 58.000 0.137 0.000 1.293 519 F CB -0.657 38.350 39.000 0.011 0.000 1.013 519 F HN 0.287 nan 8.300 nan 0.000 0.486 520 Q N 0.810 120.825 119.800 0.358 0.000 2.061 520 Q HA -0.257 4.048 4.340 -0.059 0.000 0.204 520 Q C 2.021 178.121 176.000 0.167 0.000 0.984 520 Q CA 1.947 57.907 55.803 0.262 0.000 0.846 520 Q CB -0.356 28.516 28.738 0.224 0.000 0.902 520 Q HN 0.518 nan 8.270 nan 0.000 0.421 521 Q N 0.283 120.171 119.800 0.147 0.000 2.079 521 Q HA -0.125 4.180 4.340 -0.059 0.000 0.200 521 Q C 2.290 178.364 176.000 0.125 0.000 0.974 521 Q CA 1.718 57.595 55.803 0.123 0.000 0.840 521 Q CB -0.279 28.541 28.738 0.138 0.000 0.898 521 Q HN 0.662 nan 8.270 nan 0.000 0.430 522 I N -1.913 118.723 120.570 0.111 0.000 2.676 522 I HA -0.135 4.000 4.170 -0.059 0.000 0.259 522 I C 2.395 178.622 176.117 0.184 0.000 1.194 522 I CA 0.992 62.384 61.300 0.154 0.000 1.473 522 I CB -0.260 37.810 38.000 0.117 0.000 1.096 522 I HN 0.033 nan 8.210 nan 0.000 0.443 523 R N 1.483 121.981 120.500 -0.003 0.000 2.057 523 R HA -0.096 4.208 4.340 -0.059 0.000 0.224 523 R C 1.730 177.895 176.300 -0.225 0.000 1.136 523 R CA 1.681 57.468 56.100 -0.521 0.000 0.968 523 R CB -0.111 29.547 30.300 -1.071 0.000 0.863 523 R HN 0.254 nan 8.270 nan 0.000 0.433 524 D N -0.403 119.980 120.400 -0.028 0.000 2.218 524 D HA -0.073 4.531 4.640 -0.059 0.000 0.204 524 D C 1.410 177.851 176.300 0.236 0.000 0.976 524 D CA 1.417 55.485 54.000 0.112 0.000 0.853 524 D CB -0.180 40.661 40.800 0.070 0.000 0.939 524 D HN 0.524 nan 8.370 nan 0.000 0.481 525 G N -0.437 108.521 108.800 0.264 0.000 3.088 525 G HA2 -0.055 3.869 3.960 -0.059 0.000 0.217 525 G HA3 -0.055 3.869 3.960 -0.059 0.000 0.217 525 G C 0.033 175.234 174.900 0.502 0.000 1.159 525 G CA -0.263 45.070 45.100 0.389 0.000 0.760 525 G HN 0.022 nan 8.290 nan 0.000 0.550 526 D N 0.433 121.081 120.400 0.412 0.000 2.411 526 D HA 0.160 4.765 4.640 -0.059 0.000 0.225 526 D C 1.603 177.898 176.300 -0.009 0.000 1.156 526 D CA -0.629 53.555 54.000 0.306 0.000 0.874 526 D CB 0.789 41.883 40.800 0.491 0.000 1.034 526 D HN 0.119 nan 8.370 nan 0.000 0.502 527 R N 2.711 122.926 120.500 -0.474 0.000 2.211 527 R HA -0.126 4.178 4.340 -0.059 0.000 0.240 527 R C 0.526 176.382 176.300 -0.741 0.000 1.144 527 R CA 1.259 56.705 56.100 -1.091 0.000 0.992 527 R CB -0.091 29.501 30.300 -1.180 0.000 0.869 527 R HN 0.380 nan 8.270 nan 0.000 0.462 528 F N -0.472 119.378 119.950 -0.168 0.000 2.750 528 F HA 0.177 4.666 4.527 -0.064 0.000 0.297 528 F C 0.227 176.106 175.800 0.132 0.000 1.138 528 F CA -0.877 57.097 58.000 -0.043 0.000 1.346 528 F CB 0.060 39.014 39.000 -0.078 0.000 0.965 528 F HN 0.095 nan 8.300 nan 0.000 0.514 529 W N 3.096 124.454 121.300 0.097 0.000 2.264 529 W HA -0.117 4.525 4.660 -0.030 0.000 0.331 529 W C 1.333 177.946 176.519 0.157 0.000 1.364 529 W CA -0.599 56.805 57.345 0.098 0.000 1.253 529 W CB 0.466 29.876 29.460 -0.083 0.000 1.215 529 W HN 0.541 nan 8.180 nan 0.000 0.561 530 W N 4.889 125.901 121.300 -0.481 0.000 2.331 530 W HA -0.240 4.415 4.660 -0.008 0.000 0.291 530 W C 0.785 177.281 176.519 -0.038 0.000 1.214 530 W CA 1.672 58.944 57.345 -0.122 0.000 1.228 530 W CB -0.819 28.382 29.460 -0.431 0.000 1.135 530 W HN 0.480 nan 8.180 nan 0.000 0.537 531 E N 0.655 120.079 120.200 -1.294 0.000 2.435 531 E HA -0.118 4.197 4.350 -0.059 0.000 0.195 531 E C 0.413 176.987 176.600 -0.043 0.000 1.029 531 E CA -0.075 55.784 56.400 -0.902 0.000 0.865 531 E CB -0.367 28.807 29.700 -0.877 0.000 0.833 531 E HN 0.012 nan 8.360 nan 0.000 0.510 532 N N 2.410 121.209 118.700 0.165 0.000 2.434 532 N HA 0.004 4.708 4.740 -0.059 0.000 0.268 532 N C -2.650 172.933 175.510 0.121 0.000 1.256 532 N CA -1.556 51.660 53.050 0.277 0.000 0.914 532 N CB 0.499 39.123 38.487 0.230 0.000 1.088 532 N HN -0.216 nan 8.380 nan 0.000 0.478 533 P HA 0.061 nan 4.420 nan 0.000 0.260 533 P C 0.711 178.023 177.300 0.019 0.000 1.172 533 P CA 0.767 63.894 63.100 0.045 0.000 0.760 533 P CB 0.368 32.086 31.700 0.030 0.000 0.773 534 G N 1.496 110.305 108.800 0.014 0.000 2.254 534 G HA2 -0.289 3.636 3.960 -0.059 0.000 0.225 534 G HA3 -0.289 3.636 3.960 -0.059 0.000 0.225 534 G C 1.010 175.883 174.900 -0.044 0.000 1.003 534 G CA 0.149 45.238 45.100 -0.019 0.000 0.622 534 G HN 0.410 nan 8.290 nan 0.000 0.507 535 V N -0.061 119.838 119.914 -0.025 0.000 2.453 535 V HA 0.344 4.428 4.120 -0.059 0.000 0.247 535 V C 1.261 177.205 176.094 -0.249 0.000 1.048 535 V CA 2.013 64.259 62.300 -0.091 0.000 1.049 535 V CB -0.332 31.502 31.823 0.020 0.000 0.672 535 V HN 0.325 nan 8.190 nan 0.000 0.457 536 F N -1.060 118.914 119.950 0.039 0.000 2.691 536 F HA 0.522 5.040 4.527 -0.015 0.000 0.334 536 F C 0.506 176.280 175.800 -0.045 0.000 1.107 536 F CA -0.667 57.341 58.000 0.014 0.000 0.991 536 F CB 1.565 40.613 39.000 0.081 0.000 1.400 536 F HN -0.168 nan 8.300 nan 0.000 0.503 537 T N -2.820 111.801 114.554 0.112 0.000 2.943 537 T HA 0.332 4.647 4.350 -0.059 0.000 0.284 537 T C 0.655 175.365 174.700 0.018 0.000 1.015 537 T CA -0.581 61.527 62.100 0.013 0.000 1.042 537 T CB 1.597 70.427 68.868 -0.064 0.000 1.055 537 T HN 0.676 nan 8.240 nan 0.000 0.500 538 E N 0.596 120.803 120.200 0.012 0.000 2.086 538 E HA -0.214 4.100 4.350 -0.059 0.000 0.200 538 E C 2.017 178.624 176.600 0.010 0.000 1.012 538 E CA 1.490 57.901 56.400 0.018 0.000 0.812 538 E CB -0.074 29.634 29.700 0.014 0.000 0.743 538 E HN 0.656 nan 8.360 nan 0.000 0.453 539 K N 0.315 120.704 120.400 -0.018 0.000 2.147 539 K HA -0.177 4.107 4.320 -0.059 0.000 0.205 539 K C 2.211 178.769 176.600 -0.070 0.000 1.049 539 K CA 1.143 57.415 56.287 -0.026 0.000 0.936 539 K CB 0.067 32.547 32.500 -0.035 0.000 0.722 539 K HN 0.141 nan 8.250 nan 0.000 0.446 540 Q N -0.309 119.383 119.800 -0.179 0.000 2.083 540 Q HA -0.083 4.222 4.340 -0.059 0.000 0.198 540 Q C 2.081 178.038 176.000 -0.071 0.000 0.969 540 Q CA 1.100 56.666 55.803 -0.394 0.000 0.838 540 Q CB 0.095 28.478 28.738 -0.591 0.000 0.900 540 Q HN 0.198 nan 8.270 nan 0.000 0.436 541 R N 0.657 121.179 120.500 0.037 0.000 2.081 541 R HA -0.133 4.172 4.340 -0.059 0.000 0.235 541 R C 1.772 178.196 176.300 0.208 0.000 1.131 541 R CA 1.387 57.600 56.100 0.188 0.000 0.960 541 R CB -0.164 30.243 30.300 0.179 0.000 0.856 541 R HN 0.370 nan 8.270 nan 0.000 0.436 542 D N -0.113 120.364 120.400 0.128 0.000 2.133 542 D HA -0.157 4.447 4.640 -0.059 0.000 0.195 542 D C 1.783 178.153 176.300 0.117 0.000 0.997 542 D CA 1.344 55.414 54.000 0.116 0.000 0.840 542 D CB -0.015 40.833 40.800 0.079 0.000 0.947 542 D HN 0.102 nan 8.370 nan 0.000 0.452 543 S N -0.088 115.695 115.700 0.137 0.000 2.406 543 S HA -0.027 4.408 4.470 -0.059 0.000 0.228 543 S C 2.099 176.785 174.600 0.143 0.000 1.020 543 S CA 0.290 58.595 58.200 0.176 0.000 0.965 543 S CB -0.002 63.395 63.200 0.327 0.000 0.798 543 S HN 0.168 nan 8.310 nan 0.000 0.488 544 L N 1.325 122.622 121.223 0.123 0.000 2.395 544 L HA 0.016 4.321 4.340 -0.059 0.000 0.218 544 L C 2.244 179.025 176.870 -0.149 0.000 1.130 544 L CA 0.609 55.428 54.840 -0.034 0.000 0.826 544 L CB -0.295 41.658 42.059 -0.176 0.000 0.941 544 L HN 0.413 nan 8.230 nan 0.000 0.451 545 Q N -0.155 119.618 119.800 -0.044 0.000 2.444 545 Q HA -0.082 4.222 4.340 -0.059 0.000 0.206 545 Q C 1.210 177.206 176.000 -0.006 0.000 0.948 545 Q CA 0.501 56.280 55.803 -0.040 0.000 0.946 545 Q CB -0.051 28.744 28.738 0.096 0.000 1.027 545 Q HN 0.448 nan 8.270 nan 0.000 0.513 546 K N 1.292 121.697 120.400 0.007 0.000 2.404 546 K HA 0.096 4.381 4.320 -0.059 0.000 0.194 546 K C 0.630 177.237 176.600 0.011 0.000 1.023 546 K CA -0.040 56.258 56.287 0.017 0.000 1.094 546 K CB 0.631 33.148 32.500 0.028 0.000 0.841 546 K HN 0.102 nan 8.250 nan 0.000 0.523 547 V N -0.201 119.719 119.914 0.010 0.000 2.881 547 V HA 0.355 4.439 4.120 -0.059 0.000 0.303 547 V C -0.029 176.119 176.094 0.090 0.000 1.070 547 V CA -0.642 61.699 62.300 0.068 0.000 1.074 547 V CB 1.357 33.288 31.823 0.180 0.000 1.012 547 V HN 0.189 nan 8.190 nan 0.000 0.482 548 S N 2.350 118.136 115.700 0.143 0.000 2.537 548 S HA 0.512 4.947 4.470 -0.059 0.000 0.271 548 S C -0.204 174.516 174.600 0.200 0.000 1.148 548 S CA -0.483 57.797 58.200 0.133 0.000 0.868 548 S CB 1.318 64.544 63.200 0.043 0.000 1.115 548 S HN 0.819 nan 8.310 nan 0.000 0.461 549 F N 2.564 122.540 119.950 0.044 0.000 2.269 549 F HA 0.004 4.493 4.527 -0.063 0.000 0.301 549 F C 2.369 178.138 175.800 -0.053 0.000 1.082 549 F CA 1.966 59.976 58.000 0.016 0.000 1.360 549 F CB -0.465 38.419 39.000 -0.192 0.000 1.041 549 F HN 0.687 nan 8.300 nan 0.000 0.512 550 S N 0.134 115.816 115.700 -0.029 0.000 2.353 550 S HA -0.268 4.166 4.470 -0.059 0.000 0.222 550 S C 2.005 176.506 174.600 -0.166 0.000 1.035 550 S CA 1.504 59.638 58.200 -0.111 0.000 1.025 550 S CB -0.424 62.717 63.200 -0.098 0.000 0.902 550 S HN 0.286 nan 8.310 nan 0.000 0.440 551 R N 1.452 121.873 120.500 -0.130 0.000 2.094 551 R HA -0.059 4.245 4.340 -0.059 0.000 0.239 551 R C 2.189 178.349 176.300 -0.234 0.000 1.137 551 R CA 1.460 57.473 56.100 -0.146 0.000 0.943 551 R CB -1.172 29.065 30.300 -0.106 0.000 0.850 551 R HN 0.400 nan 8.270 nan 0.000 0.433 552 L N 0.012 121.041 121.223 -0.323 0.000 2.051 552 L HA -0.228 4.076 4.340 -0.059 0.000 0.214 552 L C 1.851 178.462 176.870 -0.431 0.000 1.076 552 L CA 1.678 56.241 54.840 -0.462 0.000 0.758 552 L CB -0.369 41.296 42.059 -0.656 0.000 0.890 552 L HN 0.267 nan 8.230 nan 0.000 0.433 553 I N -0.937 119.368 120.570 -0.441 0.000 2.163 553 I HA -0.303 3.831 4.170 -0.059 0.000 0.240 553 I C 2.682 178.671 176.117 -0.214 0.000 1.081 553 I CA 1.352 62.460 61.300 -0.320 0.000 1.353 553 I CB -1.821 36.035 38.000 -0.241 0.000 1.054 553 I HN 0.415 nan 8.210 nan 0.000 0.407 554 c N 1.160 119.658 118.600 -0.170 0.000 2.413 554 c HA -0.195 4.339 4.570 -0.059 0.000 0.277 554 c C 2.328 176.338 174.090 -0.133 0.000 1.228 554 c CA 0.843 57.103 56.329 -0.116 0.000 1.731 554 c CB -1.119 41.338 42.510 -0.089 0.000 2.042 554 c HN 0.503 nan 8.230 nan 0.000 0.468 555 D N 0.464 120.766 120.400 -0.163 0.000 2.350 555 D HA -0.046 4.558 4.640 -0.059 0.000 0.216 555 D C 1.069 177.259 176.300 -0.183 0.000 0.968 555 D CA 0.943 54.846 54.000 -0.161 0.000 0.894 555 D CB -0.465 40.227 40.800 -0.180 0.000 0.909 555 D HN 0.610 nan 8.370 nan 0.000 0.520 556 N N -0.242 118.328 118.700 -0.217 0.000 2.240 556 N HA 0.036 4.740 4.740 -0.059 0.000 0.240 556 N C 0.080 175.419 175.510 -0.284 0.000 1.277 556 N CA 0.161 53.069 53.050 -0.237 0.000 0.873 556 N CB 1.713 40.060 38.487 -0.234 0.000 1.222 556 N HN 0.192 nan 8.380 nan 0.000 0.507 557 T N -3.323 111.046 114.554 -0.309 0.000 2.618 557 T HA 0.359 4.673 4.350 -0.059 0.000 0.293 557 T C -0.183 174.269 174.700 -0.413 0.000 1.093 557 T CA -0.417 61.459 62.100 -0.374 0.000 1.061 557 T CB 1.618 70.340 68.868 -0.243 0.000 1.498 557 T HN 0.050 nan 8.240 nan 0.000 0.494 558 H N -0.673 118.330 119.070 -0.113 0.000 2.512 558 H HA 0.448 4.970 4.556 -0.057 0.000 0.276 558 H C 0.024 175.316 175.328 -0.060 0.000 1.126 558 H CA -0.658 55.349 56.048 -0.068 0.000 1.060 558 H CB 0.265 30.004 29.762 -0.039 0.000 1.646 558 H HN 0.298 nan 8.280 nan 0.000 0.571 559 I N 2.058 122.628 120.570 0.001 0.000 2.588 559 I HA -0.049 4.085 4.170 -0.059 0.000 0.283 559 I C 1.554 177.705 176.117 0.057 0.000 1.119 559 I CA 0.671 61.974 61.300 0.006 0.000 1.419 559 I CB 1.146 39.142 38.000 -0.006 0.000 1.394 559 I HN 0.358 nan 8.210 nan 0.000 0.562 560 T N 2.303 116.917 114.554 0.101 0.000 2.964 560 T HA 0.177 4.491 4.350 -0.059 0.000 0.249 560 T C 0.617 175.413 174.700 0.160 0.000 1.000 560 T CA -0.178 61.988 62.100 0.109 0.000 0.992 560 T CB 0.471 69.395 68.868 0.095 0.000 1.087 560 T HN 0.411 nan 8.240 nan 0.000 0.489 561 K N 2.739 123.303 120.400 0.273 0.000 2.307 561 K HA 0.672 4.956 4.320 -0.059 0.000 0.263 561 K C -0.601 176.320 176.600 0.535 0.000 0.973 561 K CA -0.617 55.900 56.287 0.384 0.000 0.846 561 K CB 2.482 35.292 32.500 0.517 0.000 1.100 561 K HN 0.339 nan 8.250 nan 0.000 0.438 562 V N -0.629 119.469 119.914 0.307 0.000 3.130 562 V HA 0.666 4.750 4.120 -0.059 0.000 0.310 562 V C -2.759 173.094 176.094 -0.402 0.000 1.158 562 V CA -2.564 59.773 62.300 0.061 0.000 1.029 562 V CB 2.300 34.122 31.823 -0.003 0.000 1.057 562 V HN 0.522 nan 8.190 nan 0.000 0.436 563 P HA 0.303 nan 4.420 nan 0.000 0.279 563 P C 0.054 177.125 177.300 -0.382 0.000 1.252 563 P CA -0.296 62.368 63.100 -0.726 0.000 0.811 563 P CB 1.862 33.106 31.700 -0.761 0.000 1.035 564 L N 1.154 122.161 121.223 -0.359 0.000 2.341 564 L HA 0.093 4.397 4.340 -0.059 0.000 0.214 564 L C 0.653 177.193 176.870 -0.550 0.000 1.115 564 L CA 1.198 55.783 54.840 -0.424 0.000 0.820 564 L CB -1.335 40.434 42.059 -0.483 0.000 0.944 564 L HN 0.450 nan 8.230 nan 0.000 0.452 565 H N -1.881 117.133 119.070 -0.093 0.000 2.791 565 H HA 0.435 4.955 4.556 -0.060 0.000 0.272 565 H C 0.999 176.296 175.328 -0.051 0.000 1.188 565 H CA 0.215 56.249 56.048 -0.024 0.000 1.436 565 H CB 1.154 30.911 29.762 -0.008 0.000 1.467 565 H HN 0.037 nan 8.280 nan 0.000 0.500 566 A N 2.454 125.274 122.820 0.001 0.000 2.067 566 A HA -0.124 4.161 4.320 -0.059 0.000 0.219 566 A C 1.168 178.643 177.584 -0.182 0.000 1.158 566 A CA 1.184 53.137 52.037 -0.141 0.000 0.661 566 A CB -0.439 18.442 19.000 -0.197 0.000 0.801 566 A HN 0.575 nan 8.150 nan 0.000 0.452 567 F N 0.455 120.430 119.950 0.042 0.000 2.416 567 F HA 0.030 4.515 4.527 -0.069 0.000 0.296 567 F C 1.706 177.517 175.800 0.018 0.000 1.099 567 F CA 0.759 58.799 58.000 0.066 0.000 1.427 567 F CB -0.152 38.904 39.000 0.094 0.000 1.079 567 F HN 0.404 nan 8.300 nan 0.000 0.536 568 Q N 1.233 121.127 119.800 0.156 0.000 2.317 568 Q HA 0.557 4.861 4.340 -0.059 0.000 0.229 568 Q C -0.200 175.830 176.000 0.050 0.000 0.984 568 Q CA -0.742 55.093 55.803 0.053 0.000 0.911 568 Q CB 1.037 29.789 28.738 0.023 0.000 1.217 568 Q HN 0.102 nan 8.270 nan 0.000 0.501 569 A N 2.255 125.098 122.820 0.038 0.000 2.491 569 A HA 0.218 4.502 4.320 -0.059 0.000 0.261 569 A C -0.850 176.775 177.584 0.068 0.000 1.101 569 A CA -0.332 51.742 52.037 0.062 0.000 0.772 569 A CB -0.612 18.423 19.000 0.060 0.000 1.043 569 A HN 0.798 nan 8.150 nan 0.000 0.501 570 N N 2.377 121.133 118.700 0.094 0.000 2.284 570 N HA 0.382 5.087 4.740 -0.059 0.000 0.300 570 N C -1.125 174.544 175.510 0.266 0.000 1.047 570 N CA -0.815 52.303 53.050 0.113 0.000 0.821 570 N CB 1.421 39.881 38.487 -0.045 0.000 1.337 570 N HN 0.629 nan 8.380 nan 0.000 0.482 571 N N 0.949 119.803 118.700 0.257 0.000 2.443 571 N HA 0.210 4.915 4.740 -0.059 0.000 0.295 571 N C -1.455 174.217 175.510 0.271 0.000 1.076 571 N CA -0.297 52.901 53.050 0.247 0.000 0.919 571 N CB 1.305 39.900 38.487 0.181 0.000 1.176 571 N HN 0.499 nan 8.380 nan 0.000 0.487 572 Y N 2.738 122.988 120.300 -0.084 0.000 2.330 572 Y HA 0.391 4.904 4.550 -0.061 0.000 0.336 572 Y C -1.343 174.484 175.900 -0.121 0.000 1.036 572 Y CA -1.463 56.427 58.100 -0.349 0.000 1.125 572 Y CB 1.206 39.203 38.460 -0.772 0.000 1.194 572 Y HN 0.495 nan 8.280 nan 0.000 0.469 573 P HA -0.008 nan 4.420 nan 0.000 0.260 573 P C 1.349 178.500 177.300 -0.249 0.000 1.222 573 P CA 0.707 63.237 63.100 -0.948 0.000 0.843 573 P CB 0.072 31.178 31.700 -0.990 0.000 1.159 574 H N 1.721 120.702 119.070 -0.148 0.000 2.292 574 H HA -0.175 4.347 4.556 -0.057 0.000 0.292 574 H C 0.544 175.885 175.328 0.021 0.000 1.100 574 H CA 2.134 58.155 56.048 -0.046 0.000 1.238 574 H CB -0.099 29.650 29.762 -0.021 0.000 1.355 574 H HN -0.025 nan 8.280 nan 0.000 0.484 575 D N -0.124 120.168 120.400 -0.179 0.000 2.347 575 D HA 0.009 4.613 4.640 -0.059 0.000 0.215 575 D C -0.070 176.158 176.300 -0.121 0.000 0.976 575 D CA 0.289 54.148 54.000 -0.235 0.000 0.884 575 D CB -0.265 40.471 40.800 -0.105 0.000 0.915 575 D HN 0.138 nan 8.370 nan 0.000 0.526 576 F N 0.717 120.567 119.950 -0.167 0.000 2.394 576 F HA 0.278 4.772 4.527 -0.056 0.000 0.340 576 F C 0.785 176.539 175.800 -0.077 0.000 1.105 576 F CA -1.310 56.639 58.000 -0.086 0.000 1.124 576 F CB 1.182 40.190 39.000 0.014 0.000 1.145 576 F HN -0.315 nan 8.300 nan 0.000 0.505 577 V N -0.593 119.355 119.914 0.057 0.000 3.113 577 V HA 0.592 4.676 4.120 -0.059 0.000 0.316 577 V C -0.847 175.288 176.094 0.069 0.000 1.125 577 V CA -1.061 61.258 62.300 0.032 0.000 1.026 577 V CB 1.842 33.644 31.823 -0.035 0.000 1.080 577 V HN 0.648 nan 8.190 nan 0.000 0.444 578 D N 0.763 121.193 120.400 0.050 0.000 2.350 578 D HA 0.214 4.818 4.640 -0.059 0.000 0.249 578 D C 0.969 177.286 176.300 0.028 0.000 1.119 578 D CA 0.223 54.257 54.000 0.056 0.000 0.886 578 D CB 1.382 42.208 40.800 0.043 0.000 1.195 578 D HN 0.725 nan 8.370 nan 0.000 0.437 579 c N 1.957 120.577 118.600 0.033 0.000 2.401 579 c HA -0.122 4.413 4.570 -0.059 0.000 0.286 579 c C 2.303 176.387 174.090 -0.010 0.000 1.332 579 c CA 0.922 57.254 56.329 0.005 0.000 1.795 579 c CB -1.059 41.455 42.510 0.007 0.000 1.922 579 c HN 0.648 nan 8.230 nan 0.000 0.520 580 S N -0.457 115.243 115.700 -0.001 0.000 2.603 580 S HA -0.059 4.376 4.470 -0.059 0.000 0.220 580 S C 1.404 175.997 174.600 -0.011 0.000 0.967 580 S CA 0.743 58.939 58.200 -0.006 0.000 0.920 580 S CB -0.175 63.025 63.200 0.000 0.000 0.773 580 S HN 0.746 nan 8.310 nan 0.000 0.529 581 T N 1.760 116.306 114.554 -0.013 0.000 3.188 581 T HA 0.225 4.540 4.350 -0.059 0.000 0.250 581 T C 0.177 174.857 174.700 -0.032 0.000 1.077 581 T CA 0.056 62.145 62.100 -0.019 0.000 0.967 581 T CB -0.005 68.851 68.868 -0.019 0.000 1.006 581 T HN 0.087 nan 8.240 nan 0.000 0.552 582 V N 1.403 121.296 119.914 -0.034 0.000 2.448 582 V HA 0.320 4.405 4.120 -0.059 0.000 0.295 582 V C -0.328 175.744 176.094 -0.038 0.000 1.025 582 V CA -1.538 60.735 62.300 -0.045 0.000 0.859 582 V CB 1.479 33.267 31.823 -0.058 0.000 0.988 582 V HN 0.125 nan 8.190 nan 0.000 0.431 583 D N 3.948 124.328 120.400 -0.033 0.000 2.793 583 D HA -0.010 4.595 4.640 -0.059 0.000 0.230 583 D C 0.271 176.554 176.300 -0.028 0.000 1.139 583 D CA 1.077 55.065 54.000 -0.021 0.000 0.838 583 D CB 0.322 41.115 40.800 -0.012 0.000 1.149 583 D HN 0.460 nan 8.370 nan 0.000 0.526 584 K N 1.786 122.170 120.400 -0.026 0.000 2.098 584 K HA 0.336 4.620 4.320 -0.059 0.000 0.261 584 K C -0.218 176.363 176.600 -0.031 0.000 0.987 584 K CA -1.154 55.109 56.287 -0.040 0.000 0.916 584 K CB 1.387 33.864 32.500 -0.039 0.000 1.039 584 K HN 0.275 nan 8.250 nan 0.000 0.455 585 L N 2.839 124.028 121.223 -0.056 0.000 2.342 585 L HA 0.100 4.405 4.340 -0.059 0.000 0.285 585 L C -0.554 176.294 176.870 -0.037 0.000 1.095 585 L CA 0.036 54.847 54.840 -0.049 0.000 0.843 585 L CB 0.045 42.037 42.059 -0.112 0.000 1.201 585 L HN 0.441 nan 8.230 nan 0.000 0.445 586 D N 4.174 124.594 120.400 0.034 0.000 2.336 586 D HA 0.099 4.704 4.640 -0.059 0.000 0.249 586 D C 0.680 177.064 176.300 0.141 0.000 1.213 586 D CA 0.121 54.160 54.000 0.066 0.000 0.870 586 D CB 0.645 41.497 40.800 0.087 0.000 1.076 586 D HN 0.685 nan 8.370 nan 0.000 0.483 587 L N 3.080 124.339 121.223 0.061 0.000 2.591 587 L HA 0.001 4.305 4.340 -0.059 0.000 0.228 587 L C 2.310 179.367 176.870 0.310 0.000 1.133 587 L CA 0.212 55.112 54.840 0.100 0.000 0.880 587 L CB -0.385 41.595 42.059 -0.133 0.000 1.033 587 L HN 0.493 nan 8.230 nan 0.000 0.450 588 S N 0.614 116.446 115.700 0.219 0.000 2.387 588 S HA -0.104 4.330 4.470 -0.059 0.000 0.230 588 S C -0.453 174.280 174.600 0.220 0.000 1.035 588 S CA 0.896 59.200 58.200 0.173 0.000 1.014 588 S CB -1.434 61.828 63.200 0.104 0.000 0.836 588 S HN 0.227 nan 8.310 nan 0.000 0.466 589 P HA 0.023 nan 4.420 nan 0.000 0.234 589 P C 0.450 177.793 177.300 0.071 0.000 1.167 589 P CA 0.736 63.899 63.100 0.106 0.000 0.763 589 P CB -0.267 31.396 31.700 -0.062 0.000 0.835 590 W N -0.686 120.674 121.300 0.100 0.000 3.239 590 W HA 0.436 5.065 4.660 -0.051 0.000 0.368 590 W C 0.343 176.902 176.519 0.066 0.000 1.154 590 W CA -0.617 56.822 57.345 0.156 0.000 1.860 590 W CB 0.185 29.765 29.460 0.200 0.000 1.094 590 W HN -0.140 nan 8.180 nan 0.000 0.643 591 A N 1.085 124.012 122.820 0.178 0.000 2.388 591 A HA 0.343 4.627 4.320 -0.059 0.000 0.257 591 A C 0.143 177.750 177.584 0.039 0.000 1.095 591 A CA 0.263 52.316 52.037 0.027 0.000 0.791 591 A CB 0.754 19.770 19.000 0.026 0.000 1.029 591 A HN -0.018 nan 8.150 nan 0.000 0.489 592 S N 1.907 117.599 115.700 -0.014 0.000 2.659 592 S HA 0.540 4.974 4.470 -0.059 0.000 0.312 592 S C -0.437 174.214 174.600 0.086 0.000 1.114 592 S CA -0.721 57.538 58.200 0.099 0.000 1.063 592 S CB 0.290 63.637 63.200 0.245 0.000 0.996 592 S HN 0.686 nan 8.310 nan 0.000 0.478 593 R N 3.158 123.688 120.500 0.050 0.000 2.312 593 R HA 0.369 4.674 4.340 -0.059 0.000 0.311 593 R C 1.011 177.305 176.300 -0.009 0.000 1.004 593 R CA -0.858 55.241 56.100 -0.001 0.000 0.902 593 R CB 0.840 31.140 30.300 -0.001 0.000 1.073 593 R HN 0.607 nan 8.270 nan 0.000 0.457 594 E N 2.097 122.257 120.200 -0.066 0.000 2.002 594 E HA -0.180 4.134 4.350 -0.059 0.000 0.205 594 E C 0.147 176.736 176.600 -0.018 0.000 1.020 594 E CA 1.526 57.892 56.400 -0.058 0.000 0.856 594 E CB -0.238 29.403 29.700 -0.097 0.000 0.788 594 E HN 0.540 nan 8.360 nan 0.000 0.477 595 N N 0.000 118.688 118.700 -0.021 0.000 1.763 595 N HA 0.000 4.704 4.740 -0.059 0.000 0.220 595 N CA 0.000 53.045 53.050 -0.008 0.000 0.885 595 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667