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 2pt3_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 0.000 174.730 174.600 0.216 0.000 1.055 1 S CA 0.000 58.221 58.200 0.035 0.000 1.107 1 S CB 0.000 63.233 63.200 0.056 0.000 0.593 2 W N 3.887 125.205 121.300 0.029 0.000 2.900 2 W HA 0.132 4.729 4.660 -0.104 0.000 0.419 2 W C 0.909 177.447 176.519 0.031 0.000 1.205 2 W CA 0.588 57.949 57.345 0.027 0.000 1.386 2 W CB 0.074 29.548 29.460 0.022 0.000 1.491 2 W HN 0.533 nan 8.180 nan 0.000 0.549 3 E N 0.843 121.234 120.200 0.317 0.000 2.424 3 E HA 0.027 4.315 4.350 -0.104 0.000 0.283 3 E C -1.508 175.184 176.600 0.153 0.000 1.194 3 E CA -0.399 56.096 56.400 0.158 0.000 0.938 3 E CB 1.174 30.959 29.700 0.141 0.000 1.158 3 E HN 0.117 nan 8.360 nan 0.000 0.429 4 V N -0.254 119.718 119.914 0.097 0.000 2.670 4 V HA 0.733 4.791 4.120 -0.104 0.000 0.258 4 V C 0.157 176.295 176.094 0.074 0.000 0.906 4 V CA -0.081 62.276 62.300 0.095 0.000 0.887 4 V CB 0.652 32.529 31.823 0.089 0.000 1.059 4 V HN 1.075 nan 8.190 nan 0.000 0.484 5 G N 1.606 110.455 108.800 0.080 0.000 3.436 5 G HA2 0.097 3.995 3.960 -0.104 0.000 0.685 5 G HA3 0.097 3.995 3.960 -0.104 0.000 0.685 5 G C -0.363 174.575 174.900 0.063 0.000 1.039 5 G CA -0.071 45.072 45.100 0.072 0.000 0.879 5 G HN 2.099 nan 8.290 nan 0.000 0.478 6 c N 1.930 120.571 118.600 0.069 0.000 2.973 6 c HA 1.127 5.634 4.570 -0.104 0.000 0.329 6 c C 0.978 175.103 174.090 0.059 0.000 1.327 6 c CA 0.091 56.459 56.329 0.064 0.000 1.632 6 c CB 1.612 44.172 42.510 0.085 0.000 2.098 6 c HN 3.012 nan 8.230 nan 0.000 0.469 7 G N 0.821 109.649 108.800 0.047 0.000 2.445 7 G HA2 0.492 4.390 3.960 -0.104 0.000 0.233 7 G HA3 0.492 4.390 3.960 -0.104 0.000 0.233 7 G C 0.078 174.991 174.900 0.023 0.000 1.308 7 G CA 0.325 45.449 45.100 0.039 0.000 1.179 7 G HN 1.799 nan 8.290 nan 0.000 0.637 8 A N 1.915 124.740 122.820 0.009 0.000 1.832 8 A HA 0.386 4.644 4.320 -0.104 0.000 0.214 8 A C 0.763 178.343 177.584 -0.007 0.000 1.204 8 A CA 2.020 54.055 52.037 -0.004 0.000 0.606 8 A CB -1.133 17.855 19.000 -0.020 0.000 0.849 8 A HN 0.480 nan 8.150 nan 0.000 0.445 9 P HA -0.141 nan 4.420 nan 0.000 0.221 9 P C 0.340 177.637 177.300 -0.006 0.000 1.153 9 P CA 1.650 64.737 63.100 -0.021 0.000 0.858 9 P CB -0.432 31.246 31.700 -0.037 0.000 0.783 10 V N -3.977 115.942 119.914 0.008 0.000 2.318 10 V HA 0.438 4.496 4.120 -0.104 0.000 0.271 10 V C -2.375 173.733 176.094 0.023 0.000 1.030 10 V CA -2.776 59.535 62.300 0.019 0.000 0.844 10 V CB 0.165 32.008 31.823 0.032 0.000 1.015 10 V HN -0.145 nan 8.190 nan 0.000 0.460 11 P HA 0.141 nan 4.420 nan 0.000 0.264 11 P C -0.144 177.174 177.300 0.031 0.000 1.179 11 P CA 0.153 63.266 63.100 0.022 0.000 0.763 11 P CB 0.493 32.204 31.700 0.018 0.000 0.806 12 L N 2.683 123.924 121.223 0.030 0.000 2.479 12 L HA 0.399 4.677 4.340 -0.104 0.000 0.249 12 L C -0.179 176.712 176.870 0.036 0.000 1.178 12 L CA 0.116 54.978 54.840 0.037 0.000 0.811 12 L CB 0.828 42.908 42.059 0.034 0.000 1.187 12 L HN 0.151 nan 8.230 nan 0.000 0.480 13 V N -0.514 119.425 119.914 0.042 0.000 2.610 13 V HA 0.377 4.435 4.120 -0.104 0.000 0.298 13 V C -0.573 175.546 176.094 0.042 0.000 1.067 13 V CA -1.200 61.124 62.300 0.040 0.000 0.894 13 V CB 1.203 33.054 31.823 0.045 0.000 1.015 13 V HN 0.526 nan 8.190 nan 0.000 0.432 14 K N 3.264 123.685 120.400 0.034 0.000 2.363 14 K HA 0.361 4.619 4.320 -0.104 0.000 0.289 14 K C -0.001 176.621 176.600 0.036 0.000 1.063 14 K CA 0.105 56.412 56.287 0.034 0.000 0.967 14 K CB -0.119 32.398 32.500 0.027 0.000 0.987 14 K HN 0.914 nan 8.250 nan 0.000 0.473 15 c N 3.763 122.389 118.600 0.043 0.000 2.746 15 c HA -0.027 4.480 4.570 -0.104 0.000 0.403 15 c C 0.277 174.394 174.090 0.044 0.000 1.270 15 c CA -0.223 56.135 56.329 0.049 0.000 1.978 15 c CB -0.270 42.275 42.510 0.058 0.000 2.724 15 c HN 0.756 nan 8.230 nan 0.000 0.678 16 D N 1.560 121.991 120.400 0.051 0.000 2.545 16 D HA 0.051 4.629 4.640 -0.104 0.000 0.227 16 D C 1.447 177.780 176.300 0.055 0.000 1.150 16 D CA 0.310 54.340 54.000 0.050 0.000 1.046 16 D CB 0.016 40.849 40.800 0.054 0.000 1.098 16 D HN 0.691 nan 8.370 nan 0.000 0.502 17 E N 0.430 120.653 120.200 0.038 0.000 2.385 17 E HA -0.079 4.209 4.350 -0.104 0.000 0.194 17 E C 0.649 177.260 176.600 0.018 0.000 1.013 17 E CA 0.154 56.571 56.400 0.028 0.000 0.866 17 E CB 0.225 29.939 29.700 0.023 0.000 0.832 17 E HN 0.201 nan 8.360 nan 0.000 0.500 18 N N 1.810 120.522 118.700 0.020 0.000 2.085 18 N HA -0.076 4.602 4.740 -0.104 0.000 0.191 18 N C 0.657 176.168 175.510 0.001 0.000 1.058 18 N CA 0.486 53.541 53.050 0.008 0.000 0.849 18 N CB -0.690 37.805 38.487 0.013 0.000 1.038 18 N HN -0.052 nan 8.380 nan 0.000 0.434 19 S N 2.478 118.187 115.700 0.016 0.000 2.931 19 S HA -0.016 4.392 4.470 -0.104 0.000 0.342 19 S C -1.532 173.046 174.600 -0.038 0.000 1.220 19 S CA -0.692 57.505 58.200 -0.005 0.000 1.045 19 S CB 0.665 63.874 63.200 0.015 0.000 0.758 19 S HN 0.190 nan 8.310 nan 0.000 0.508 20 P HA 0.116 nan 4.420 nan 0.000 0.241 20 P C -0.784 176.117 177.300 -0.665 0.000 1.191 20 P CA 0.689 63.523 63.100 -0.444 0.000 0.771 20 P CB 0.217 31.456 31.700 -0.769 0.000 0.929 21 Y N -0.859 119.322 120.300 -0.199 0.000 2.509 21 Y HA 0.456 4.940 4.550 -0.109 0.000 0.341 21 Y C 1.186 176.611 175.900 -0.792 0.000 1.038 21 Y CA -1.411 56.402 58.100 -0.478 0.000 1.089 21 Y CB 0.991 39.261 38.460 -0.316 0.000 1.241 21 Y HN -0.381 nan 8.280 nan 0.000 0.468 22 R N 0.259 120.205 120.500 -0.924 0.000 2.811 22 R HA 0.207 4.485 4.340 -0.104 0.000 0.265 22 R C 0.339 176.455 176.300 -0.307 0.000 1.026 22 R CA 0.151 55.771 56.100 -0.801 0.000 1.142 22 R CB 0.161 30.140 30.300 -0.535 0.000 1.027 22 R HN 0.823 nan 8.270 nan 0.000 0.465 23 T N -1.624 112.833 114.554 -0.161 0.000 2.816 23 T HA 0.166 4.453 4.350 -0.104 0.000 0.282 23 T C 1.499 176.196 174.700 -0.006 0.000 0.993 23 T CA -0.911 61.164 62.100 -0.043 0.000 0.994 23 T CB 0.690 69.567 68.868 0.016 0.000 1.025 23 T HN 0.310 nan 8.240 nan 0.000 0.529 24 I N 1.568 122.160 120.570 0.037 0.000 2.252 24 I HA -0.107 4.001 4.170 -0.104 0.000 0.245 24 I C 2.784 178.963 176.117 0.105 0.000 1.102 24 I CA 1.996 63.342 61.300 0.078 0.000 1.385 24 I CB -1.359 36.694 38.000 0.089 0.000 1.064 24 I HN 0.973 nan 8.210 nan 0.000 0.414 25 T N -1.981 112.632 114.554 0.099 0.000 3.118 25 T HA 0.141 4.429 4.350 -0.104 0.000 0.260 25 T C 1.587 176.388 174.700 0.168 0.000 1.139 25 T CA 0.727 62.901 62.100 0.124 0.000 1.085 25 T CB -0.043 68.887 68.868 0.104 0.000 0.934 25 T HN 0.495 nan 8.240 nan 0.000 0.518 26 G N 1.149 110.048 108.800 0.166 0.000 2.179 26 G HA2 -0.233 3.665 3.960 -0.104 0.000 0.260 26 G HA3 -0.233 3.665 3.960 -0.104 0.000 0.260 26 G C -0.138 174.908 174.900 0.245 0.000 0.977 26 G CA 0.102 45.353 45.100 0.251 0.000 0.641 26 G HN 0.590 nan 8.290 nan 0.000 0.533 27 D N -0.676 119.825 120.400 0.169 0.000 2.362 27 D HA 0.277 4.855 4.640 -0.104 0.000 0.238 27 D C 1.634 178.012 176.300 0.130 0.000 1.212 27 D CA 1.133 55.224 54.000 0.151 0.000 0.902 27 D CB 0.679 41.545 40.800 0.111 0.000 1.180 27 D HN 0.797 nan 8.370 nan 0.000 0.445 28 c N 0.465 119.144 118.600 0.132 0.000 4.378 28 c HA -0.176 4.331 4.570 -0.104 0.000 0.279 28 c C 1.977 176.150 174.090 0.139 0.000 1.481 28 c CA 0.128 56.530 56.329 0.121 0.000 1.849 28 c CB -2.712 39.858 42.510 0.100 0.000 1.542 28 c HN 0.753 nan 8.230 nan 0.000 0.743 29 N N 1.855 120.640 118.700 0.143 0.000 2.106 29 N HA -0.110 4.568 4.740 -0.104 0.000 0.188 29 N C 0.453 176.035 175.510 0.120 0.000 1.029 29 N CA 1.397 54.500 53.050 0.088 0.000 0.848 29 N CB -0.078 38.322 38.487 -0.145 0.000 1.007 29 N HN 0.817 nan 8.380 nan 0.000 0.423 30 N N 0.651 119.481 118.700 0.216 0.000 2.438 30 N HA 0.111 4.789 4.740 -0.104 0.000 0.282 30 N C 0.609 176.218 175.510 0.165 0.000 1.037 30 N CA -0.186 53.008 53.050 0.239 0.000 0.942 30 N CB 1.131 39.784 38.487 0.276 0.000 1.136 30 N HN 0.125 nan 8.380 nan 0.000 0.481 31 R N 2.421 123.006 120.500 0.142 0.000 2.090 31 R HA 0.056 4.334 4.340 -0.104 0.000 0.228 31 R C 1.647 177.999 176.300 0.085 0.000 1.110 31 R CA 1.164 57.322 56.100 0.098 0.000 0.973 31 R CB 0.219 30.565 30.300 0.077 0.000 0.869 31 R HN 0.534 nan 8.270 nan 0.000 0.440 32 R N -0.525 120.027 120.500 0.087 0.000 2.153 32 R HA 0.057 4.335 4.340 -0.104 0.000 0.218 32 R C 0.680 177.027 176.300 0.077 0.000 1.072 32 R CA 0.776 56.918 56.100 0.070 0.000 0.990 32 R CB 0.335 30.670 30.300 0.058 0.000 0.889 32 R HN -0.071 nan 8.270 nan 0.000 0.452 33 S N 0.621 116.379 115.700 0.098 0.000 2.216 33 S HA 0.248 4.655 4.470 -0.104 0.000 0.156 33 S C -2.112 172.565 174.600 0.127 0.000 1.665 33 S CA -1.487 56.775 58.200 0.103 0.000 1.262 33 S CB 1.027 64.288 63.200 0.102 0.000 1.207 33 S HN -0.057 nan 8.310 nan 0.000 0.427 34 P HA -0.005 nan 4.420 nan 0.000 0.225 34 P C 1.140 178.526 177.300 0.144 0.000 1.148 34 P CA 0.788 63.966 63.100 0.130 0.000 0.779 34 P CB 0.097 31.858 31.700 0.101 0.000 0.780 35 A N -0.652 122.245 122.820 0.129 0.000 2.123 35 A HA 0.050 4.308 4.320 -0.104 0.000 0.214 35 A C 1.067 178.743 177.584 0.153 0.000 1.152 35 A CA 0.106 52.221 52.037 0.131 0.000 0.728 35 A CB -0.883 18.177 19.000 0.101 0.000 0.814 35 A HN 0.075 nan 8.150 nan 0.000 0.464 36 L N 0.766 122.088 121.223 0.165 0.000 2.615 36 L HA 0.298 4.575 4.340 -0.104 0.000 0.271 36 L C 1.497 178.488 176.870 0.202 0.000 1.183 36 L CA 1.542 56.481 54.840 0.165 0.000 0.933 36 L CB -0.728 41.434 42.059 0.173 0.000 1.199 36 L HN 0.657 nan 8.230 nan 0.000 0.487 37 G N 2.776 111.625 108.800 0.081 0.000 2.157 37 G HA2 -0.186 3.712 3.960 -0.104 0.000 0.248 37 G HA3 -0.186 3.712 3.960 -0.104 0.000 0.248 37 G C 0.498 175.485 174.900 0.145 0.000 0.979 37 G CA 0.150 45.206 45.100 -0.072 0.000 0.650 37 G HN 1.050 nan 8.290 nan 0.000 0.529 38 A N 0.030 122.964 122.820 0.191 0.000 2.371 38 A HA 0.881 5.139 4.320 -0.104 0.000 0.257 38 A C 1.021 178.684 177.584 0.131 0.000 1.089 38 A CA 0.951 53.103 52.037 0.193 0.000 0.794 38 A CB 0.561 19.656 19.000 0.160 0.000 1.029 38 A HN 2.071 nan 8.150 nan 0.000 0.488 39 A N 1.105 124.007 122.820 0.138 0.000 2.346 39 A HA 0.477 4.735 4.320 -0.104 0.000 0.252 39 A C 0.774 178.411 177.584 0.088 0.000 1.089 39 A CA 0.325 52.430 52.037 0.114 0.000 0.797 39 A CB -0.500 18.580 19.000 0.133 0.000 1.047 39 A HN 1.359 nan 8.150 nan 0.000 0.494 40 N N -1.618 117.123 118.700 0.069 0.000 2.800 40 N HA -0.172 4.506 4.740 -0.104 0.000 0.250 40 N C -0.189 175.343 175.510 0.036 0.000 1.078 40 N CA 1.366 54.442 53.050 0.043 0.000 0.804 40 N CB -0.953 37.560 38.487 0.044 0.000 1.135 40 N HN 0.726 nan 8.380 nan 0.000 0.565 41 R N 0.077 120.605 120.500 0.046 0.000 2.902 41 R HA 0.796 5.073 4.340 -0.104 0.000 0.258 41 R C -0.213 176.115 176.300 0.046 0.000 1.071 41 R CA -0.200 55.929 56.100 0.048 0.000 1.024 41 R CB 0.913 31.250 30.300 0.062 0.000 1.184 41 R HN 0.157 nan 8.270 nan 0.000 0.492 42 A N 1.598 124.450 122.820 0.054 0.000 2.531 42 A HA 0.147 4.405 4.320 -0.104 0.000 0.236 42 A C -0.097 177.519 177.584 0.053 0.000 1.062 42 A CA -0.086 51.987 52.037 0.059 0.000 0.760 42 A CB -0.132 18.913 19.000 0.075 0.000 0.995 42 A HN 0.567 nan 8.150 nan 0.000 0.501 43 L N 1.268 122.521 121.223 0.050 0.000 2.483 43 L HA 0.280 4.558 4.340 -0.104 0.000 0.276 43 L C 1.137 178.027 176.870 0.034 0.000 1.213 43 L CA 0.102 54.961 54.840 0.032 0.000 0.843 43 L CB 0.406 42.489 42.059 0.040 0.000 1.107 43 L HN 0.838 nan 8.230 nan 0.000 0.487 44 A N 3.802 126.621 122.820 -0.003 0.000 2.371 44 A HA 0.465 4.723 4.320 -0.104 0.000 0.257 44 A C -0.179 177.418 177.584 0.022 0.000 1.089 44 A CA -0.468 51.591 52.037 0.036 0.000 0.794 44 A CB 0.303 19.346 19.000 0.072 0.000 1.029 44 A HN 0.587 nan 8.150 nan 0.000 0.488 45 R N 1.324 121.902 120.500 0.130 0.000 2.265 45 R HA 0.149 4.427 4.340 -0.104 0.000 0.328 45 R C -0.245 176.269 176.300 0.356 0.000 0.969 45 R CA -0.408 55.798 56.100 0.177 0.000 0.832 45 R CB 0.743 31.139 30.300 0.160 0.000 1.139 45 R HN 0.958 nan 8.270 nan 0.000 0.457 46 W N 1.569 122.958 121.300 0.148 0.000 2.523 46 W HA 0.111 4.708 4.660 -0.105 0.000 0.278 46 W C 0.066 176.613 176.519 0.047 0.000 1.236 46 W CA 0.324 57.752 57.345 0.139 0.000 1.306 46 W CB 0.105 29.647 29.460 0.137 0.000 1.101 46 W HN 0.215 nan 8.180 nan 0.000 0.577 47 L N -0.689 120.646 121.223 0.187 0.000 2.350 47 L HA 0.456 4.734 4.340 -0.104 0.000 0.260 47 L C -2.235 174.648 176.870 0.021 0.000 1.015 47 L CA -2.659 52.162 54.840 -0.031 0.000 0.821 47 L CB 0.908 42.703 42.059 -0.441 0.000 1.370 47 L HN -0.409 nan 8.230 nan 0.000 0.416 48 P HA 0.283 nan 4.420 nan 0.000 0.269 48 P C -0.845 176.454 177.300 -0.001 0.000 1.209 48 P CA -0.293 62.817 63.100 0.017 0.000 0.776 48 P CB 0.535 32.238 31.700 0.005 0.000 0.876 49 A N 2.661 125.491 122.820 0.017 0.000 2.406 49 A HA 0.177 4.435 4.320 -0.104 0.000 0.243 49 A C -0.017 177.489 177.584 -0.129 0.000 1.082 49 A CA 0.075 52.066 52.037 -0.077 0.000 0.786 49 A CB -0.091 18.883 19.000 -0.044 0.000 1.029 49 A HN 0.584 nan 8.150 nan 0.000 0.495 50 E N 0.027 120.067 120.200 -0.267 0.000 2.279 50 E HA 0.440 4.728 4.350 -0.104 0.000 0.252 50 E C -1.878 174.596 176.600 -0.211 0.000 0.894 50 E CA 0.091 56.448 56.400 -0.071 0.000 0.785 50 E CB 1.384 31.167 29.700 0.139 0.000 1.237 50 E HN 0.638 nan 8.360 nan 0.000 0.418 51 Y N 0.591 120.828 120.300 -0.105 0.000 2.524 51 Y HA 0.162 4.649 4.550 -0.104 0.000 0.344 51 Y C 1.557 177.005 175.900 -0.754 0.000 1.012 51 Y CA -0.754 57.117 58.100 -0.381 0.000 1.068 51 Y CB 1.707 39.998 38.460 -0.282 0.000 1.249 51 Y HN 0.510 nan 8.280 nan 0.000 0.468 52 E N 0.820 120.486 120.200 -0.891 0.000 2.070 52 E HA -0.261 4.027 4.350 -0.104 0.000 0.197 52 E C 0.626 177.014 176.600 -0.354 0.000 1.004 52 E CA 1.986 57.868 56.400 -0.863 0.000 0.805 52 E CB 0.058 29.472 29.700 -0.477 0.000 0.744 52 E HN 0.824 nan 8.360 nan 0.000 0.451 53 D N -1.898 118.346 120.400 -0.261 0.000 2.358 53 D HA 0.092 4.670 4.640 -0.104 0.000 0.224 53 D C 1.124 177.347 176.300 -0.128 0.000 1.123 53 D CA 0.634 54.528 54.000 -0.175 0.000 0.833 53 D CB 0.327 41.003 40.800 -0.206 0.000 0.946 53 D HN 0.324 nan 8.370 nan 0.000 0.505 54 G N 0.285 109.032 108.800 -0.088 0.000 2.189 54 G HA2 -0.351 3.547 3.960 -0.104 0.000 0.267 54 G HA3 -0.351 3.547 3.960 -0.104 0.000 0.267 54 G C 0.760 175.662 174.900 0.004 0.000 0.975 54 G CA 0.967 46.058 45.100 -0.015 0.000 0.644 54 G HN 0.470 nan 8.290 nan 0.000 0.537 55 L N -2.913 118.243 121.223 -0.111 0.000 2.746 55 L HA 0.728 5.006 4.340 -0.104 0.000 0.230 55 L C 2.132 178.571 176.870 -0.718 0.000 1.034 55 L CA 1.067 55.758 54.840 -0.248 0.000 0.922 55 L CB -0.047 41.848 42.059 -0.273 0.000 1.496 55 L HN 0.503 nan 8.230 nan 0.000 0.498 56 A N -1.229 121.009 122.820 -0.969 0.000 2.414 56 A HA 0.354 4.612 4.320 -0.104 0.000 0.165 56 A C -0.170 176.760 177.584 -1.091 0.000 1.718 56 A CA -0.126 51.068 52.037 -1.406 0.000 1.268 56 A CB 0.245 18.686 19.000 -0.932 0.000 1.547 56 A HN 0.027 nan 8.150 nan 0.000 0.462 57 L N 3.275 124.055 121.223 -0.739 0.000 2.361 57 L HA 0.373 4.651 4.340 -0.104 0.000 0.278 57 L C -2.231 174.430 176.870 -0.348 0.000 1.113 57 L CA -1.918 52.499 54.840 -0.705 0.000 0.849 57 L CB 0.534 42.198 42.059 -0.658 0.000 1.155 57 L HN 0.124 nan 8.230 nan 0.000 0.452 58 P HA 0.013 nan 4.420 nan 0.000 0.271 58 P C -0.450 176.894 177.300 0.074 0.000 1.218 58 P CA -0.175 62.920 63.100 -0.009 0.000 0.780 58 P CB 0.325 31.947 31.700 -0.129 0.000 0.901 59 F N 1.160 121.213 119.950 0.172 0.000 2.578 59 F HA 0.275 4.740 4.527 -0.104 0.000 0.376 59 F C 1.943 177.892 175.800 0.250 0.000 1.085 59 F CA 2.071 60.179 58.000 0.181 0.000 1.260 59 F CB -0.039 39.047 39.000 0.143 0.000 1.095 59 F HN 0.700 nan 8.300 nan 0.000 0.573 60 G N 3.032 112.101 108.800 0.448 0.000 2.179 60 G HA2 -0.283 3.615 3.960 -0.104 0.000 0.220 60 G HA3 -0.283 3.615 3.960 -0.104 0.000 0.220 60 G C 0.856 175.985 174.900 0.383 0.000 0.990 60 G CA 0.117 45.436 45.100 0.365 0.000 0.646 60 G HN 0.780 nan 8.290 nan 0.000 0.517 61 W N 1.737 123.122 121.300 0.142 0.000 2.441 61 W HA 0.178 4.776 4.660 -0.104 0.000 0.302 61 W C -0.002 176.547 176.519 0.049 0.000 1.191 61 W CA 1.861 59.235 57.345 0.048 0.000 1.327 61 W CB 0.004 29.366 29.460 -0.164 0.000 1.128 61 W HN 0.193 nan 8.180 nan 0.000 0.522 62 T N 2.086 116.799 114.554 0.265 0.000 2.753 62 T HA 0.133 4.421 4.350 -0.104 0.000 0.297 62 T C 0.712 175.473 174.700 0.100 0.000 0.981 62 T CA -0.294 61.892 62.100 0.143 0.000 0.956 62 T CB 1.915 70.895 68.868 0.187 0.000 0.936 62 T HN 0.049 nan 8.240 nan 0.000 0.463 63 Q N 2.416 122.240 119.800 0.040 0.000 2.077 63 Q HA -0.215 4.063 4.340 -0.104 0.000 0.206 63 Q C 2.473 178.508 176.000 0.059 0.000 0.989 63 Q CA 1.608 57.436 55.803 0.042 0.000 0.853 63 Q CB -0.026 28.716 28.738 0.007 0.000 0.907 63 Q HN 0.651 nan 8.270 nan 0.000 0.418 64 R N 0.160 120.691 120.500 0.051 0.000 2.293 64 R HA -0.040 4.238 4.340 -0.104 0.000 0.219 64 R C -0.117 176.225 176.300 0.071 0.000 1.091 64 R CA 0.755 56.885 56.100 0.050 0.000 1.004 64 R CB 0.005 30.328 30.300 0.038 0.000 0.865 64 R HN -0.121 nan 8.270 nan 0.000 0.469 65 K N 2.760 123.222 120.400 0.103 0.000 2.234 65 K HA 0.109 4.366 4.320 -0.104 0.000 0.277 65 K C -0.173 176.542 176.600 0.193 0.000 1.038 65 K CA -0.086 56.282 56.287 0.135 0.000 0.888 65 K CB 1.856 34.440 32.500 0.139 0.000 1.091 65 K HN 0.245 nan 8.250 nan 0.000 0.467 66 T N 0.150 114.807 114.554 0.173 0.000 2.934 66 T HA 0.378 4.666 4.350 -0.104 0.000 0.283 66 T C 0.150 174.994 174.700 0.240 0.000 1.005 66 T CA -0.900 61.306 62.100 0.177 0.000 1.041 66 T CB 1.655 70.572 68.868 0.082 0.000 1.042 66 T HN 0.505 nan 8.240 nan 0.000 0.505 67 R N 1.678 122.252 120.500 0.123 0.000 2.265 67 R HA 0.264 4.542 4.340 -0.104 0.000 0.328 67 R C -0.151 176.166 176.300 0.029 0.000 0.969 67 R CA -0.374 55.656 56.100 -0.116 0.000 0.832 67 R CB -0.030 29.921 30.300 -0.582 0.000 1.139 67 R HN 0.862 nan 8.270 nan 0.000 0.457 68 N N 3.212 121.940 118.700 0.047 0.000 2.725 68 N HA -0.221 4.456 4.740 -0.104 0.000 0.249 68 N C 0.508 176.089 175.510 0.118 0.000 1.103 68 N CA 1.546 54.654 53.050 0.096 0.000 0.707 68 N CB -0.923 37.630 38.487 0.110 0.000 1.043 68 N HN 1.074 nan 8.380 nan 0.000 0.553 69 G N -2.198 106.600 108.800 -0.005 0.000 2.213 69 G HA2 -0.264 3.634 3.960 -0.104 0.000 0.226 69 G HA3 -0.264 3.634 3.960 -0.104 0.000 0.226 69 G C -0.132 174.493 174.900 -0.460 0.000 0.992 69 G CA 0.249 45.182 45.100 -0.279 0.000 0.632 69 G HN 0.341 nan 8.290 nan 0.000 0.511 70 F N 0.073 120.037 119.950 0.022 0.000 2.588 70 F HA 0.806 5.271 4.527 -0.103 0.000 0.314 70 F C 0.614 176.431 175.800 0.028 0.000 1.069 70 F CA -1.238 56.776 58.000 0.022 0.000 0.931 70 F CB 1.303 40.315 39.000 0.019 0.000 1.260 70 F HN -0.050 nan 8.300 nan 0.000 0.465 71 R N 0.728 121.363 120.500 0.225 0.000 2.594 71 R HA 0.506 4.783 4.340 -0.104 0.000 0.272 71 R C -0.806 175.563 176.300 0.115 0.000 1.074 71 R CA -0.472 55.713 56.100 0.141 0.000 1.105 71 R CB 0.646 31.001 30.300 0.091 0.000 1.008 71 R HN 0.508 nan 8.270 nan 0.000 0.472 72 V N 0.859 120.826 119.914 0.089 0.000 2.644 72 V HA 0.544 4.602 4.120 -0.104 0.000 0.295 72 V C -1.994 174.062 176.094 -0.064 0.000 1.053 72 V CA -2.165 60.153 62.300 0.030 0.000 0.987 72 V CB 0.885 32.766 31.823 0.096 0.000 1.006 72 V HN 0.669 nan 8.190 nan 0.000 0.472 73 P HA 0.384 nan 4.420 nan 0.000 0.274 73 P C -0.461 176.730 177.300 -0.182 0.000 1.246 73 P CA -0.617 62.328 63.100 -0.258 0.000 0.795 73 P CB 0.519 31.928 31.700 -0.486 0.000 1.006 74 L N 0.767 121.902 121.223 -0.147 0.000 2.416 74 L HA 0.136 4.414 4.340 -0.104 0.000 0.272 74 L C 1.864 178.645 176.870 -0.148 0.000 1.161 74 L CA -0.250 54.505 54.840 -0.142 0.000 0.845 74 L CB 0.249 42.232 42.059 -0.128 0.000 1.119 74 L HN 0.460 nan 8.230 nan 0.000 0.464 75 A N 3.249 125.967 122.820 -0.170 0.000 1.908 75 A HA -0.211 4.047 4.320 -0.104 0.000 0.218 75 A C 2.269 179.791 177.584 -0.103 0.000 1.181 75 A CA 1.778 53.731 52.037 -0.139 0.000 0.627 75 A CB -0.380 18.486 19.000 -0.222 0.000 0.818 75 A HN 0.858 nan 8.150 nan 0.000 0.445 76 R N 0.284 120.705 120.500 -0.132 0.000 2.148 76 R HA -0.066 4.212 4.340 -0.104 0.000 0.223 76 R C 1.873 178.162 176.300 -0.019 0.000 1.088 76 R CA 1.765 57.825 56.100 -0.066 0.000 0.985 76 R CB -0.439 29.818 30.300 -0.072 0.000 0.880 76 R HN 0.683 nan 8.270 nan 0.000 0.451 77 E N -0.675 119.498 120.200 -0.045 0.000 2.152 77 E HA -0.087 4.201 4.350 -0.104 0.000 0.192 77 E C 1.412 177.995 176.600 -0.029 0.000 0.983 77 E CA 1.030 57.408 56.400 -0.036 0.000 0.818 77 E CB 0.196 29.860 29.700 -0.060 0.000 0.758 77 E HN 0.219 nan 8.360 nan 0.000 0.467 78 V N 0.418 120.312 119.914 -0.033 0.000 2.323 78 V HA -0.224 3.834 4.120 -0.104 0.000 0.244 78 V C 2.434 178.577 176.094 0.081 0.000 1.041 78 V CA 1.688 64.000 62.300 0.021 0.000 1.025 78 V CB -0.644 31.226 31.823 0.078 0.000 0.656 78 V HN 0.318 nan 8.190 nan 0.000 0.451 79 S N 0.759 116.510 115.700 0.085 0.000 2.359 79 S HA -0.275 4.133 4.470 -0.104 0.000 0.223 79 S C 1.962 176.618 174.600 0.093 0.000 1.039 79 S CA 2.294 60.563 58.200 0.115 0.000 1.042 79 S CB -0.490 62.759 63.200 0.081 0.000 0.915 79 S HN 0.677 nan 8.310 nan 0.000 0.439 80 N N 1.203 119.938 118.700 0.058 0.000 2.058 80 N HA -0.047 4.630 4.740 -0.104 0.000 0.191 80 N C 1.722 177.261 175.510 0.049 0.000 1.037 80 N CA 1.263 54.342 53.050 0.047 0.000 0.848 80 N CB -0.432 38.071 38.487 0.027 0.000 1.021 80 N HN 0.541 nan 8.380 nan 0.000 0.422 81 K N 0.126 120.549 120.400 0.038 0.000 2.288 81 K HA 0.121 4.379 4.320 -0.104 0.000 0.201 81 K C 1.558 178.189 176.600 0.052 0.000 1.048 81 K CA 0.646 56.954 56.287 0.035 0.000 0.956 81 K CB 0.460 32.969 32.500 0.016 0.000 0.746 81 K HN 0.221 nan 8.250 nan 0.000 0.461 82 I N -1.112 119.502 120.570 0.073 0.000 4.398 82 I HA -0.086 4.022 4.170 -0.104 0.000 0.310 82 I C 1.526 177.703 176.117 0.099 0.000 1.232 82 I CA 0.268 61.613 61.300 0.075 0.000 1.312 82 I CB 0.770 38.816 38.000 0.076 0.000 1.347 82 I HN -0.180 nan 8.210 nan 0.000 0.454 83 V N 1.168 121.166 119.914 0.139 0.000 2.649 83 V HA 0.089 4.147 4.120 -0.104 0.000 0.248 83 V C 1.434 177.661 176.094 0.222 0.000 1.054 83 V CA 0.980 63.392 62.300 0.187 0.000 1.073 83 V CB -0.901 31.089 31.823 0.278 0.000 0.699 83 V HN 0.380 nan 8.190 nan 0.000 0.463 84 G N -0.394 108.516 108.800 0.183 0.000 2.572 84 G HA2 0.473 4.371 3.960 -0.104 0.000 0.261 84 G HA3 0.473 4.371 3.960 -0.104 0.000 0.261 84 G C -0.939 174.119 174.900 0.263 0.000 1.197 84 G CA -0.006 45.203 45.100 0.181 0.000 0.870 84 G HN 0.543 nan 8.290 nan 0.000 0.548 85 Y N -1.517 118.815 120.300 0.053 0.000 2.641 85 Y HA 0.513 5.001 4.550 -0.104 0.000 0.333 85 Y C -0.170 175.755 175.900 0.041 0.000 1.174 85 Y CA -1.261 56.865 58.100 0.044 0.000 1.057 85 Y CB 0.849 39.337 38.460 0.046 0.000 1.322 85 Y HN 0.296 nan 8.280 nan 0.000 0.457 86 L N 0.359 121.649 121.223 0.112 0.000 2.200 86 L HA 0.116 4.394 4.340 -0.104 0.000 0.200 86 L C 0.136 177.048 176.870 0.071 0.000 1.072 86 L CA 0.720 55.568 54.840 0.014 0.000 0.787 86 L CB 0.099 42.185 42.059 0.044 0.000 0.957 86 L HN 0.708 nan 8.230 nan 0.000 0.459 87 D N 0.957 121.495 120.400 0.229 0.000 2.339 87 D HA 0.024 4.602 4.640 -0.104 0.000 0.241 87 D C 0.652 177.142 176.300 0.317 0.000 1.183 87 D CA 0.073 54.197 54.000 0.207 0.000 0.859 87 D CB 1.175 42.062 40.800 0.147 0.000 1.067 87 D HN 0.041 nan 8.370 nan 0.000 0.484 88 E N 2.133 122.482 120.200 0.247 0.000 2.502 88 E HA -0.037 4.251 4.350 -0.104 0.000 0.194 88 E C 0.440 177.138 176.600 0.164 0.000 1.062 88 E CA 0.135 56.704 56.400 0.280 0.000 0.867 88 E CB 0.330 30.143 29.700 0.188 0.000 0.888 88 E HN 0.599 nan 8.360 nan 0.000 0.510 89 E N 0.036 120.309 120.200 0.123 0.000 2.373 89 E HA 0.194 4.482 4.350 -0.104 0.000 0.263 89 E C 0.587 177.225 176.600 0.062 0.000 1.073 89 E CA 0.436 56.884 56.400 0.080 0.000 0.894 89 E CB 0.650 30.389 29.700 0.064 0.000 1.008 89 E HN 0.229 nan 8.360 nan 0.000 0.420 90 G N 2.426 111.254 108.800 0.047 0.000 2.166 90 G HA2 -0.270 3.628 3.960 -0.104 0.000 0.260 90 G HA3 -0.270 3.628 3.960 -0.104 0.000 0.260 90 G C 0.614 175.522 174.900 0.013 0.000 0.986 90 G CA 0.451 45.567 45.100 0.027 0.000 0.683 90 G HN 0.459 nan 8.290 nan 0.000 0.527 91 V N 0.053 119.984 119.914 0.028 0.000 3.471 91 V HA 0.400 4.458 4.120 -0.104 0.000 0.258 91 V C 1.619 177.733 176.094 0.032 0.000 1.192 91 V CA 0.526 62.830 62.300 0.006 0.000 1.116 91 V CB -0.002 31.837 31.823 0.028 0.000 0.792 91 V HN 0.411 nan 8.190 nan 0.000 0.459 92 L N 0.620 121.874 121.223 0.051 0.000 2.453 92 L HA 0.283 4.561 4.340 -0.104 0.000 0.261 92 L C 0.137 177.037 176.870 0.050 0.000 1.179 92 L CA -0.009 54.869 54.840 0.063 0.000 0.813 92 L CB 0.342 42.443 42.059 0.069 0.000 1.110 92 L HN 0.103 nan 8.230 nan 0.000 0.466 93 D N 1.373 121.810 120.400 0.062 0.000 2.411 93 D HA 0.042 4.620 4.640 -0.104 0.000 0.225 93 D C 0.784 177.101 176.300 0.028 0.000 1.156 93 D CA -0.283 53.742 54.000 0.042 0.000 0.874 93 D CB 1.200 42.036 40.800 0.059 0.000 1.034 93 D HN 0.360 nan 8.370 nan 0.000 0.502 94 Q N 2.270 122.078 119.800 0.014 0.000 2.234 94 Q HA -0.142 4.135 4.340 -0.104 0.000 0.206 94 Q C 0.808 176.805 176.000 -0.004 0.000 0.980 94 Q CA 0.919 56.729 55.803 0.011 0.000 0.869 94 Q CB -0.005 28.737 28.738 0.006 0.000 0.912 94 Q HN 0.374 nan 8.270 nan 0.000 0.436 95 N N 0.358 119.039 118.700 -0.032 0.000 2.275 95 N HA 0.051 4.728 4.740 -0.104 0.000 0.236 95 N C -0.941 174.505 175.510 -0.107 0.000 1.154 95 N CA 0.025 53.037 53.050 -0.063 0.000 0.866 95 N CB 0.509 38.947 38.487 -0.081 0.000 1.093 95 N HN -0.069 nan 8.380 nan 0.000 0.515 96 R N 0.435 120.893 120.500 -0.069 0.000 2.515 96 R HA 0.219 4.497 4.340 -0.104 0.000 0.291 96 R C -0.110 176.236 176.300 0.078 0.000 1.046 96 R CA -0.471 55.577 56.100 -0.087 0.000 0.914 96 R CB 1.108 31.268 30.300 -0.233 0.000 1.191 96 R HN 0.164 nan 8.270 nan 0.000 0.435 97 S N 2.075 117.853 115.700 0.130 0.000 2.587 97 S HA 0.094 4.502 4.470 -0.104 0.000 0.260 97 S C 1.258 176.002 174.600 0.240 0.000 1.353 97 S CA -0.529 57.778 58.200 0.179 0.000 0.995 97 S CB 0.627 63.933 63.200 0.176 0.000 0.912 97 S HN 0.675 nan 8.310 nan 0.000 0.568 98 L N 0.321 121.661 121.223 0.195 0.000 2.395 98 L HA 0.077 4.355 4.340 -0.104 0.000 0.218 98 L C 1.937 178.915 176.870 0.179 0.000 1.130 98 L CA 0.669 55.616 54.840 0.178 0.000 0.826 98 L CB -0.489 41.647 42.059 0.128 0.000 0.941 98 L HN 0.768 nan 8.230 nan 0.000 0.451 99 L N -0.766 120.575 121.223 0.197 0.000 2.465 99 L HA -0.163 4.115 4.340 -0.104 0.000 0.224 99 L C 1.883 178.922 176.870 0.281 0.000 1.145 99 L CA 1.312 56.257 54.840 0.176 0.000 0.834 99 L CB -0.675 41.419 42.059 0.057 0.000 0.944 99 L HN 0.198 nan 8.230 nan 0.000 0.451 100 F N -0.564 119.474 119.950 0.147 0.000 2.098 100 F HA -0.187 4.276 4.527 -0.107 0.000 0.294 100 F C 2.390 178.254 175.800 0.106 0.000 1.107 100 F CA 1.858 59.878 58.000 0.034 0.000 1.234 100 F CB -0.350 38.699 39.000 0.081 0.000 1.002 100 F HN 0.145 nan 8.300 nan 0.000 0.472 101 M N 0.481 120.068 119.600 -0.022 0.000 2.108 101 M HA -0.228 4.190 4.480 -0.104 0.000 0.261 101 M C 2.126 178.331 176.300 -0.159 0.000 1.066 101 M CA 1.910 57.119 55.300 -0.151 0.000 1.107 101 M CB -0.896 31.706 32.600 0.003 0.000 1.356 101 M HN 0.388 nan 8.290 nan 0.000 0.406 102 Q N -0.012 119.758 119.800 -0.050 0.000 2.079 102 Q HA -0.194 4.083 4.340 -0.104 0.000 0.200 102 Q C 1.922 177.851 176.000 -0.118 0.000 0.974 102 Q CA 2.152 57.918 55.803 -0.062 0.000 0.840 102 Q CB -0.941 27.816 28.738 0.032 0.000 0.898 102 Q HN 0.692 nan 8.270 nan 0.000 0.430 103 W N 0.313 121.453 121.300 -0.266 0.000 2.318 103 W HA -0.200 4.398 4.660 -0.103 0.000 0.313 103 W C 1.748 177.915 176.519 -0.588 0.000 1.221 103 W CA 1.829 58.948 57.345 -0.377 0.000 1.266 103 W CB -0.649 28.489 29.460 -0.535 0.000 1.150 103 W HN 0.350 nan 8.180 nan 0.000 0.496 104 G N 0.039 108.437 108.800 -0.670 0.000 2.446 104 G HA2 -0.383 3.515 3.960 -0.104 0.000 0.217 104 G HA3 -0.383 3.515 3.960 -0.104 0.000 0.217 104 G C 1.404 175.796 174.900 -0.848 0.000 1.168 104 G CA 1.230 45.937 45.100 -0.656 0.000 0.771 104 G HN 0.426 nan 8.290 nan 0.000 0.551 105 Q N -0.521 118.844 119.800 -0.724 0.000 2.135 105 Q HA -0.093 4.185 4.340 -0.104 0.000 0.204 105 Q C 2.522 177.999 176.000 -0.871 0.000 0.981 105 Q CA 1.160 56.475 55.803 -0.813 0.000 0.856 105 Q CB -0.174 28.207 28.738 -0.595 0.000 0.902 105 Q HN 0.532 nan 8.270 nan 0.000 0.425 106 I N -0.792 119.349 120.570 -0.715 0.000 2.252 106 I HA -0.252 3.856 4.170 -0.104 0.000 0.245 106 I C 2.053 177.817 176.117 -0.588 0.000 1.102 106 I CA 0.690 61.595 61.300 -0.657 0.000 1.385 106 I CB 0.008 37.545 38.000 -0.771 0.000 1.064 106 I HN 0.050 nan 8.210 nan 0.000 0.414 107 V N 0.341 119.843 119.914 -0.686 0.000 2.358 107 V HA -0.308 3.749 4.120 -0.104 0.000 0.246 107 V C 2.291 178.378 176.094 -0.012 0.000 1.047 107 V CA 2.123 64.256 62.300 -0.279 0.000 1.035 107 V CB -0.718 31.040 31.823 -0.108 0.000 0.658 107 V HN 0.523 nan 8.190 nan 0.000 0.452 108 D N -0.165 120.065 120.400 -0.284 0.000 2.106 108 D HA -0.255 4.323 4.640 -0.104 0.000 0.191 108 D C 1.953 178.255 176.300 0.004 0.000 0.997 108 D CA 2.046 55.895 54.000 -0.251 0.000 0.834 108 D CB -0.229 40.054 40.800 -0.861 0.000 0.956 108 D HN 0.682 nan 8.370 nan 0.000 0.448 109 H N -0.416 118.535 119.070 -0.200 0.000 2.489 109 H HA -0.078 4.416 4.556 -0.104 0.000 0.293 109 H C 1.715 177.010 175.328 -0.055 0.000 1.066 109 H CA 0.596 56.560 56.048 -0.141 0.000 1.305 109 H CB 0.287 29.947 29.762 -0.170 0.000 1.386 109 H HN 0.203 nan 8.280 nan 0.000 0.551 110 D N 0.551 120.998 120.400 0.078 0.000 2.269 110 D HA -0.079 4.499 4.640 -0.104 0.000 0.208 110 D C 1.735 178.130 176.300 0.158 0.000 0.963 110 D CA 0.651 54.714 54.000 0.104 0.000 0.864 110 D CB 0.377 41.237 40.800 0.100 0.000 0.936 110 D HN 0.408 nan 8.370 nan 0.000 0.505 111 L N -0.312 121.021 121.223 0.182 0.000 2.537 111 L HA 0.161 4.439 4.340 -0.104 0.000 0.224 111 L C -0.246 176.724 176.870 0.166 0.000 1.065 111 L CA 0.146 55.098 54.840 0.186 0.000 0.860 111 L CB 0.275 42.495 42.059 0.270 0.000 1.086 111 L HN -0.061 nan 8.230 nan 0.000 0.482 112 D N -2.019 118.493 120.400 0.188 0.000 2.663 112 D HA 0.483 5.061 4.640 -0.104 0.000 0.233 112 D C -1.159 175.288 176.300 0.246 0.000 1.240 112 D CA -0.464 53.646 54.000 0.182 0.000 0.774 112 D CB 1.924 42.828 40.800 0.173 0.000 1.443 112 D HN -0.195 nan 8.370 nan 0.000 0.441 113 F N 0.978 120.939 119.950 0.019 0.000 3.127 113 F HA 0.560 5.026 4.527 -0.102 0.000 0.356 113 F C -1.703 174.105 175.800 0.014 0.000 1.208 113 F CA -1.212 56.786 58.000 -0.004 0.000 1.250 113 F CB 1.362 40.357 39.000 -0.009 0.000 1.581 113 F HN 0.764 nan 8.300 nan 0.000 0.691 114 A N 7.171 129.960 122.820 -0.052 0.000 3.000 114 A HA 0.685 4.943 4.320 -0.104 0.000 0.315 114 A C -2.552 174.819 177.584 -0.354 0.000 1.434 114 A CA -1.455 50.489 52.037 -0.155 0.000 1.108 114 A CB -0.653 18.409 19.000 0.103 0.000 1.171 114 A HN 0.380 nan 8.150 nan 0.000 0.524 115 P HA 0.058 nan 4.420 nan 0.000 0.266 115 P C 0.008 177.136 177.300 -0.286 0.000 1.193 115 P CA 0.304 62.999 63.100 -0.675 0.000 0.770 115 P CB 0.488 31.771 31.700 -0.695 0.000 0.836 116 E N 0.265 120.351 120.200 -0.190 0.000 2.404 116 E HA 0.107 4.395 4.350 -0.104 0.000 0.261 116 E C 0.152 176.680 176.600 -0.120 0.000 1.074 116 E CA -0.148 56.189 56.400 -0.105 0.000 0.917 116 E CB -0.016 29.643 29.700 -0.069 0.000 0.965 116 E HN 0.451 nan 8.360 nan 0.000 0.433 117 T N -0.043 114.471 114.554 -0.067 0.000 2.831 117 T HA -0.047 4.241 4.350 -0.104 0.000 0.291 117 T C 0.231 174.854 174.700 -0.129 0.000 0.981 117 T CA -0.404 61.636 62.100 -0.100 0.000 1.174 117 T CB 0.462 69.298 68.868 -0.054 0.000 0.929 117 T HN 0.492 nan 8.240 nan 0.000 0.532 118 E N 3.207 123.315 120.200 -0.154 0.000 2.003 118 E HA 0.300 4.588 4.350 -0.104 0.000 0.279 118 E C -0.752 175.768 176.600 -0.133 0.000 1.132 118 E CA -0.464 55.843 56.400 -0.155 0.000 0.888 118 E CB 0.102 29.708 29.700 -0.157 0.000 1.056 118 E HN 0.738 nan 8.360 nan 0.000 0.399 119 L N 4.751 125.903 121.223 -0.118 0.000 2.511 119 L HA 0.448 4.726 4.340 -0.104 0.000 0.252 119 L C -0.631 176.192 176.870 -0.078 0.000 1.542 119 L CA -0.030 54.757 54.840 -0.088 0.000 0.822 119 L CB 0.856 42.877 42.059 -0.064 0.000 1.050 119 L HN 0.733 nan 8.230 nan 0.000 0.516 120 G N -0.123 108.621 108.800 -0.093 0.000 2.258 120 G HA2 -0.082 3.816 3.960 -0.104 0.000 0.182 120 G HA3 -0.082 3.816 3.960 -0.104 0.000 0.182 120 G C -0.234 174.598 174.900 -0.113 0.000 1.790 120 G CA 0.089 45.138 45.100 -0.086 0.000 1.128 120 G HN 0.260 nan 8.290 nan 0.000 0.606 121 S N 0.890 116.532 115.700 -0.095 0.000 2.526 121 S HA 0.218 4.626 4.470 -0.104 0.000 0.220 121 S C 0.877 175.434 174.600 -0.071 0.000 1.017 121 S CA 0.126 58.265 58.200 -0.102 0.000 0.930 121 S CB 0.044 63.182 63.200 -0.102 0.000 0.856 121 S HN 0.463 nan 8.310 nan 0.000 0.497 122 N N 2.014 120.684 118.700 -0.050 0.000 2.818 122 N HA 0.300 4.977 4.740 -0.104 0.000 0.301 122 N C -1.445 174.061 175.510 -0.006 0.000 1.821 122 N CA 0.189 53.225 53.050 -0.023 0.000 0.930 122 N CB 1.056 39.531 38.487 -0.020 0.000 1.263 122 N HN 0.225 nan 8.380 nan 0.000 0.487 123 E N -0.723 119.474 120.200 -0.004 0.000 2.311 123 E HA 0.148 4.436 4.350 -0.104 0.000 0.281 123 E C -0.419 176.209 176.600 0.046 0.000 0.905 123 E CA -0.449 55.966 56.400 0.025 0.000 0.778 123 E CB 0.807 30.505 29.700 -0.003 0.000 1.240 123 E HN 0.207 nan 8.360 nan 0.000 0.410 124 H N 1.632 120.710 119.070 0.014 0.000 2.547 124 H HA 0.241 4.735 4.556 -0.103 0.000 0.266 124 H C 0.649 176.018 175.328 0.068 0.000 0.988 124 H CA 1.252 57.322 56.048 0.037 0.000 1.147 124 H CB 0.653 30.448 29.762 0.056 0.000 1.365 124 H HN 0.325 nan 8.280 nan 0.000 0.589 125 S N -0.590 115.175 115.700 0.108 0.000 2.562 125 S HA -0.035 4.373 4.470 -0.104 0.000 0.221 125 S C 1.867 176.502 174.600 0.057 0.000 0.975 125 S CA 0.133 58.402 58.200 0.114 0.000 0.918 125 S CB 0.159 63.428 63.200 0.115 0.000 0.772 125 S HN 0.476 nan 8.310 nan 0.000 0.531 126 K N 1.206 121.577 120.400 -0.048 0.000 2.228 126 K HA 0.035 4.293 4.320 -0.104 0.000 0.202 126 K C 1.617 178.126 176.600 -0.151 0.000 1.051 126 K CA 1.150 57.341 56.287 -0.160 0.000 0.960 126 K CB -0.012 32.374 32.500 -0.191 0.000 0.743 126 K HN 0.159 nan 8.250 nan 0.000 0.458 127 T N -0.213 114.236 114.554 -0.176 0.000 2.985 127 T HA 0.032 4.320 4.350 -0.104 0.000 0.254 127 T C 1.288 175.933 174.700 -0.092 0.000 1.021 127 T CA -0.172 61.813 62.100 -0.192 0.000 0.957 127 T CB 0.266 68.899 68.868 -0.393 0.000 1.047 127 T HN 0.292 nan 8.240 nan 0.000 0.511 128 Q N -0.049 119.767 119.800 0.026 0.000 2.167 128 Q HA -0.107 4.170 4.340 -0.104 0.000 0.202 128 Q C 2.433 178.564 176.000 0.218 0.000 0.970 128 Q CA 1.337 57.276 55.803 0.227 0.000 0.855 128 Q CB -0.413 28.515 28.738 0.317 0.000 0.911 128 Q HN 0.572 nan 8.270 nan 0.000 0.438 129 c N 0.893 119.636 118.600 0.239 0.000 2.429 129 c HA -0.129 4.379 4.570 -0.104 0.000 0.277 129 c C 2.594 176.770 174.090 0.143 0.000 1.262 129 c CA 1.485 57.965 56.329 0.252 0.000 1.733 129 c CB -0.780 42.037 42.510 0.512 0.000 2.010 129 c HN 0.690 nan 8.230 nan 0.000 0.483 130 E N -0.172 120.129 120.200 0.170 0.000 2.051 130 E HA -0.151 4.137 4.350 -0.104 0.000 0.189 130 E C 2.084 178.651 176.600 -0.056 0.000 0.979 130 E CA 0.974 57.433 56.400 0.099 0.000 0.803 130 E CB -0.194 29.635 29.700 0.216 0.000 0.761 130 E HN 0.598 nan 8.360 nan 0.000 0.451 131 E N -0.395 119.684 120.200 -0.201 0.000 2.150 131 E HA -0.163 4.125 4.350 -0.104 0.000 0.193 131 E C 1.402 177.625 176.600 -0.629 0.000 0.985 131 E CA 1.166 57.249 56.400 -0.527 0.000 0.814 131 E CB -0.029 29.130 29.700 -0.901 0.000 0.752 131 E HN 0.552 nan 8.360 nan 0.000 0.466 132 Y N -1.823 118.508 120.300 0.052 0.000 2.471 132 Y HA 0.210 4.698 4.550 -0.103 0.000 0.249 132 Y C 0.825 176.730 175.900 0.008 0.000 1.116 132 Y CA -0.430 57.691 58.100 0.034 0.000 1.240 132 Y CB 0.261 38.748 38.460 0.044 0.000 1.251 132 Y HN -0.115 nan 8.280 nan 0.000 0.527 133 c N 2.033 120.686 118.600 0.088 0.000 4.454 133 c HA -0.167 4.341 4.570 -0.104 0.000 0.298 133 c C 0.058 174.157 174.090 0.015 0.000 1.384 133 c CA -0.797 55.536 56.329 0.007 0.000 2.002 133 c CB -2.829 39.657 42.510 -0.041 0.000 1.249 133 c HN 0.269 nan 8.230 nan 0.000 0.783 134 I N 1.312 121.924 120.570 0.070 0.000 2.291 134 I HA 0.198 4.306 4.170 -0.104 0.000 0.292 134 I C 0.739 176.866 176.117 0.017 0.000 1.064 134 I CA 0.508 61.832 61.300 0.040 0.000 1.269 134 I CB 0.500 38.544 38.000 0.074 0.000 1.418 134 I HN 0.510 nan 8.210 nan 0.000 0.485 135 Q N 4.961 124.720 119.800 -0.068 0.000 2.247 135 Q HA 0.296 4.574 4.340 -0.104 0.000 0.288 135 Q C 0.239 176.209 176.000 -0.050 0.000 1.079 135 Q CA 0.288 56.005 55.803 -0.144 0.000 0.932 135 Q CB 0.590 29.082 28.738 -0.409 0.000 1.133 135 Q HN 0.946 nan 8.270 nan 0.000 0.377 136 G N 4.432 113.310 108.800 0.131 0.000 4.341 136 G HA2 0.134 4.032 3.960 -0.104 0.000 0.252 136 G HA3 0.134 4.032 3.960 -0.104 0.000 0.252 136 G C -0.536 174.546 174.900 0.303 0.000 2.181 136 G CA 0.062 45.291 45.100 0.215 0.000 0.602 136 G HN 0.884 nan 8.290 nan 0.000 0.346 137 D N 0.114 120.763 120.400 0.414 0.000 3.935 137 D HA -0.243 4.335 4.640 -0.104 0.000 0.149 137 D C 0.737 177.226 176.300 0.316 0.000 0.932 137 D CA 1.258 55.438 54.000 0.301 0.000 1.083 137 D CB -0.418 40.496 40.800 0.190 0.000 0.549 137 D HN 0.314 nan 8.370 nan 0.000 0.577 138 N N 0.461 119.311 118.700 0.251 0.000 2.724 138 N HA -0.039 4.639 4.740 -0.104 0.000 0.198 138 N C 0.216 175.973 175.510 0.412 0.000 1.301 138 N CA 0.493 53.716 53.050 0.287 0.000 0.942 138 N CB -0.845 37.780 38.487 0.229 0.000 1.033 138 N HN 0.279 nan 8.380 nan 0.000 0.447 139 c N 0.813 119.661 118.600 0.414 0.000 2.301 139 c HA 0.513 5.021 4.570 -0.104 0.000 0.323 139 c C -0.666 173.660 174.090 0.394 0.000 1.265 139 c CA -0.902 55.635 56.329 0.347 0.000 1.503 139 c CB -0.985 41.704 42.510 0.299 0.000 2.195 139 c HN 0.271 nan 8.230 nan 0.000 0.477 140 F N 8.827 128.871 119.950 0.157 0.000 2.646 140 F HA 0.476 4.940 4.527 -0.104 0.000 0.336 140 F C -2.584 173.215 175.800 -0.002 0.000 1.437 140 F CA -2.934 55.174 58.000 0.180 0.000 1.142 140 F CB 0.522 39.793 39.000 0.452 0.000 1.530 140 F HN 0.413 nan 8.300 nan 0.000 0.591 141 P HA 0.151 nan 4.420 nan 0.000 0.268 141 P C 0.002 177.007 177.300 -0.492 0.000 1.205 141 P CA 0.298 63.215 63.100 -0.304 0.000 0.771 141 P CB 0.923 32.482 31.700 -0.234 0.000 0.858 142 I N 3.653 123.896 120.570 -0.544 0.000 2.322 142 I HA 0.111 4.219 4.170 -0.104 0.000 0.292 142 I C 0.604 176.360 176.117 -0.601 0.000 1.060 142 I CA -0.278 60.663 61.300 -0.598 0.000 1.309 142 I CB 0.245 37.902 38.000 -0.571 0.000 1.415 142 I HN 0.183 nan 8.210 nan 0.000 0.492 143 M N 6.608 125.920 119.600 -0.480 0.000 2.250 143 M HA 0.356 4.774 4.480 -0.104 0.000 0.344 143 M C -0.348 175.705 176.300 -0.412 0.000 1.150 143 M CA -0.342 54.702 55.300 -0.426 0.000 1.147 143 M CB 0.179 32.631 32.600 -0.246 0.000 1.498 143 M HN 0.170 nan 8.290 nan 0.000 0.461 144 F N 3.226 123.089 119.950 -0.144 0.000 2.418 144 F HA 0.365 4.830 4.527 -0.104 0.000 0.341 144 F C -1.492 174.249 175.800 -0.098 0.000 1.120 144 F CA -1.506 56.421 58.000 -0.122 0.000 1.232 144 F CB 0.006 38.940 39.000 -0.111 0.000 1.175 144 F HN 0.430 nan 8.300 nan 0.000 0.569 145 P HA 0.054 nan 4.420 nan 0.000 0.274 145 P C 0.441 177.764 177.300 0.038 0.000 1.256 145 P CA -0.566 62.558 63.100 0.040 0.000 0.795 145 P CB 0.691 32.400 31.700 0.016 0.000 1.038 146 K N 1.109 121.515 120.400 0.010 0.000 2.103 146 K HA -0.166 4.092 4.320 -0.104 0.000 0.207 146 K C 0.442 177.032 176.600 -0.016 0.000 1.048 146 K CA 1.564 57.850 56.287 -0.001 0.000 0.930 146 K CB -0.230 32.266 32.500 -0.006 0.000 0.716 146 K HN 0.272 nan 8.250 nan 0.000 0.444 147 N N 1.632 120.321 118.700 -0.018 0.000 2.279 147 N HA -0.000 4.678 4.740 -0.104 0.000 0.226 147 N C -1.016 174.466 175.510 -0.047 0.000 1.126 147 N CA 0.105 53.137 53.050 -0.030 0.000 0.846 147 N CB 0.367 38.841 38.487 -0.021 0.000 1.050 147 N HN 0.241 nan 8.380 nan 0.000 0.502 148 D N 0.866 121.226 120.400 -0.066 0.000 2.280 148 D HA 0.176 4.754 4.640 -0.104 0.000 0.243 148 D C -1.614 174.566 176.300 -0.201 0.000 1.129 148 D CA -1.871 52.060 54.000 -0.114 0.000 0.848 148 D CB 2.180 42.922 40.800 -0.096 0.000 1.107 148 D HN -0.046 nan 8.370 nan 0.000 0.471 149 P HA -0.100 nan 4.420 nan 0.000 0.221 149 P C 0.792 177.919 177.300 -0.287 0.000 1.145 149 P CA 1.006 63.997 63.100 -0.183 0.000 0.795 149 P CB 0.316 31.941 31.700 -0.126 0.000 0.775 150 K N -1.156 118.958 120.400 -0.477 0.000 2.525 150 K HA 0.056 4.314 4.320 -0.104 0.000 0.192 150 K C 1.720 177.787 176.600 -0.889 0.000 1.029 150 K CA 0.284 56.151 56.287 -0.700 0.000 1.029 150 K CB -0.321 31.616 32.500 -0.938 0.000 0.814 150 K HN 0.231 nan 8.250 nan 0.000 0.503 151 L N 0.702 121.511 121.223 -0.691 0.000 2.095 151 L HA -0.125 4.153 4.340 -0.104 0.000 0.204 151 L C 1.769 178.503 176.870 -0.227 0.000 1.080 151 L CA 1.226 55.809 54.840 -0.428 0.000 0.759 151 L CB -0.004 41.912 42.059 -0.239 0.000 0.914 151 L HN 0.084 nan 8.230 nan 0.000 0.439 152 K N -1.494 118.787 120.400 -0.198 0.000 2.362 152 K HA -0.085 4.173 4.320 -0.104 0.000 0.200 152 K C 1.574 178.107 176.600 -0.110 0.000 1.046 152 K CA 1.191 57.405 56.287 -0.121 0.000 0.952 152 K CB 0.056 32.495 32.500 -0.102 0.000 0.753 152 K HN 0.216 nan 8.250 nan 0.000 0.466 153 T N -0.147 114.314 114.554 -0.155 0.000 3.019 153 T HA 0.063 4.351 4.350 -0.104 0.000 0.247 153 T C 1.372 176.022 174.700 -0.083 0.000 0.992 153 T CA 0.273 62.309 62.100 -0.106 0.000 1.036 153 T CB 0.480 69.285 68.868 -0.106 0.000 1.063 153 T HN 0.102 nan 8.240 nan 0.000 0.476 154 Q N -0.400 119.326 119.800 -0.124 0.000 2.353 154 Q HA 0.469 4.746 4.340 -0.104 0.000 0.240 154 Q C 0.997 177.010 176.000 0.023 0.000 0.868 154 Q CA 0.265 56.044 55.803 -0.040 0.000 0.944 154 Q CB 1.616 30.338 28.738 -0.027 0.000 1.104 154 Q HN 0.498 nan 8.270 nan 0.000 0.531 155 G N 0.346 109.163 108.800 0.029 0.000 2.240 155 G HA2 -0.110 3.788 3.960 -0.104 0.000 0.199 155 G HA3 -0.110 3.788 3.960 -0.104 0.000 0.199 155 G C -0.586 174.442 174.900 0.213 0.000 1.342 155 G CA -0.475 44.679 45.100 0.090 0.000 1.145 155 G HN -0.102 nan 8.290 nan 0.000 0.477 156 K N -0.426 120.093 120.400 0.199 0.000 2.354 156 K HA 0.341 4.598 4.320 -0.104 0.000 0.194 156 K C 0.757 177.392 176.600 0.058 0.000 1.045 156 K CA 1.183 57.592 56.287 0.203 0.000 1.026 156 K CB 0.645 33.181 32.500 0.060 0.000 0.866 156 K HN 1.104 nan 8.250 nan 0.000 0.530 157 c N -1.695 116.796 118.600 -0.182 0.000 3.332 157 c HA 0.671 5.179 4.570 -0.104 0.000 0.329 157 c C -1.207 172.462 174.090 -0.702 0.000 1.434 157 c CA -1.264 54.627 56.329 -0.729 0.000 1.314 157 c CB 0.951 43.205 42.510 -0.427 0.000 1.664 157 c HN 0.082 nan 8.230 nan 0.000 0.457 158 M N 2.277 121.401 119.600 -0.793 0.000 2.181 158 M HA 0.465 4.882 4.480 -0.104 0.000 0.323 158 M C -2.483 173.551 176.300 -0.443 0.000 1.004 158 M CA -1.444 53.434 55.300 -0.703 0.000 0.941 158 M CB 1.960 34.084 32.600 -0.792 0.000 1.579 158 M HN 0.517 nan 8.290 nan 0.000 0.427 159 P HA 0.113 nan 4.420 nan 0.000 0.269 159 P C -1.411 175.709 177.300 -0.299 0.000 1.211 159 P CA 0.242 63.158 63.100 -0.307 0.000 0.781 159 P CB 0.394 31.996 31.700 -0.163 0.000 0.877 160 F N 1.365 120.762 119.950 -0.922 0.000 2.704 160 F HA 0.508 4.973 4.527 -0.104 0.000 0.312 160 F C -2.180 173.103 175.800 -0.861 0.000 1.108 160 F CA -0.650 56.962 58.000 -0.647 0.000 1.005 160 F CB 0.864 39.666 39.000 -0.330 0.000 1.277 160 F HN 0.091 nan 8.300 nan 0.000 0.445 161 F N 4.596 124.347 119.950 -0.331 0.000 2.547 161 F HA 0.585 5.050 4.527 -0.104 0.000 0.316 161 F C -0.009 175.647 175.800 -0.240 0.000 1.121 161 F CA -0.949 56.988 58.000 -0.106 0.000 0.911 161 F CB 1.905 40.863 39.000 -0.070 0.000 1.179 161 F HN 0.286 nan 8.300 nan 0.000 0.443 162 R N 1.597 122.224 120.500 0.213 0.000 2.640 162 R HA 0.406 4.684 4.340 -0.104 0.000 0.270 162 R C 0.135 176.503 176.300 0.113 0.000 1.024 162 R CA -0.243 55.980 56.100 0.205 0.000 1.085 162 R CB 0.415 30.852 30.300 0.228 0.000 0.963 162 R HN 0.766 nan 8.270 nan 0.000 0.426 163 A N 2.150 125.025 122.820 0.091 0.000 2.483 163 A HA 0.281 4.539 4.320 -0.104 0.000 0.238 163 A C 0.730 178.355 177.584 0.068 0.000 1.070 163 A CA 0.164 52.222 52.037 0.034 0.000 0.770 163 A CB 0.226 19.224 19.000 -0.002 0.000 1.008 163 A HN 0.798 nan 8.150 nan 0.000 0.497 164 G N 0.299 109.092 108.800 -0.012 0.000 2.491 164 G HA2 0.452 4.349 3.960 -0.104 0.000 0.238 164 G HA3 0.452 4.349 3.960 -0.104 0.000 0.238 164 G C -0.294 174.643 174.900 0.061 0.000 1.277 164 G CA -0.043 45.036 45.100 -0.034 0.000 0.851 164 G HN 0.906 nan 8.290 nan 0.000 0.573 165 F N 0.200 120.099 119.950 -0.085 0.000 2.579 165 F HA 0.711 5.176 4.527 -0.104 0.000 0.324 165 F C 0.114 175.889 175.800 -0.041 0.000 1.058 165 F CA -2.068 55.891 58.000 -0.068 0.000 0.944 165 F CB 0.660 39.616 39.000 -0.073 0.000 1.245 165 F HN 0.499 nan 8.300 nan 0.000 0.477 166 V N -1.680 118.305 119.914 0.118 0.000 3.083 166 V HA 0.560 4.618 4.120 -0.104 0.000 0.306 166 V C 0.749 176.885 176.094 0.070 0.000 1.077 166 V CA -1.099 61.230 62.300 0.049 0.000 1.073 166 V CB 0.326 32.188 31.823 0.065 0.000 1.081 166 V HN 1.386 nan 8.190 nan 0.000 0.474 167 c N -0.063 118.555 118.600 0.030 0.000 0.168 167 c HA -0.150 4.358 4.570 -0.104 0.000 0.017 167 c C -2.069 172.007 174.090 -0.024 0.000 0.171 167 c CA 0.186 56.537 56.329 0.036 0.000 0.499 167 c CB -2.801 39.774 42.510 0.109 0.000 3.212 167 c HN 1.031 nan 8.230 nan 0.000 1.118 168 P HA 0.097 nan 4.420 nan 0.000 0.264 168 P C 0.525 177.619 177.300 -0.344 0.000 1.179 168 P CA 1.175 64.233 63.100 -0.070 0.000 0.763 168 P CB 0.372 32.120 31.700 0.079 0.000 0.806 169 T N 3.385 117.752 114.554 -0.312 0.000 2.684 169 T HA 0.042 4.329 4.350 -0.104 0.000 0.253 169 T C -1.341 173.106 174.700 -0.422 0.000 1.057 169 T CA 1.147 62.967 62.100 -0.467 0.000 1.162 169 T CB -1.304 67.399 68.868 -0.276 0.000 0.868 169 T HN 0.446 nan 8.240 nan 0.000 0.409 170 P HA 0.151 nan 4.420 nan 0.000 0.300 170 P C -2.485 174.908 177.300 0.155 0.000 1.294 170 P CA -0.847 62.262 63.100 0.015 0.000 0.757 170 P CB -0.736 30.964 31.700 -0.001 0.000 1.377 171 P HA 0.017 nan 4.420 nan 0.000 0.258 171 P C -0.980 176.455 177.300 0.225 0.000 1.187 171 P CA 1.285 64.469 63.100 0.140 0.000 0.767 171 P CB -0.454 31.294 31.700 0.079 0.000 0.770 172 Y N 2.917 123.241 120.300 0.041 0.000 2.609 172 Y HA 0.467 4.955 4.550 -0.104 0.000 0.336 172 Y C -1.530 174.351 175.900 -0.033 0.000 1.129 172 Y CA -0.802 57.305 58.100 0.011 0.000 1.040 172 Y CB 1.999 40.477 38.460 0.030 0.000 1.310 172 Y HN 0.307 nan 8.280 nan 0.000 0.460 173 Q N 2.723 121.990 119.800 -0.888 0.000 3.068 173 Q HA 0.449 4.727 4.340 -0.104 0.000 0.209 173 Q C -1.958 173.664 176.000 -0.631 0.000 0.802 173 Q CA -0.235 55.207 55.803 -0.602 0.000 0.848 173 Q CB 0.697 29.244 28.738 -0.318 0.000 1.459 173 Q HN 0.629 nan 8.270 nan 0.000 0.455 174 S N 1.407 116.773 115.700 -0.557 0.000 2.490 174 S HA 0.293 4.701 4.470 -0.104 0.000 0.280 174 S C -0.056 174.448 174.600 -0.161 0.000 1.048 174 S CA -0.123 57.892 58.200 -0.308 0.000 1.263 174 S CB 0.889 63.931 63.200 -0.262 0.000 1.053 174 S HN 0.568 nan 8.310 nan 0.000 0.538 175 L N 1.587 122.715 121.223 -0.159 0.000 2.327 175 L HA 0.867 5.145 4.340 -0.104 0.000 0.258 175 L C -0.847 175.976 176.870 -0.079 0.000 1.024 175 L CA -0.762 54.042 54.840 -0.060 0.000 0.825 175 L CB 1.737 43.799 42.059 0.006 0.000 1.386 175 L HN 0.217 nan 8.230 nan 0.000 0.417 176 A N 2.188 124.998 122.820 -0.016 0.000 2.483 176 A HA 0.238 4.496 4.320 -0.104 0.000 0.238 176 A C 0.035 177.604 177.584 -0.025 0.000 1.070 176 A CA -0.123 51.918 52.037 0.007 0.000 0.770 176 A CB 0.065 19.149 19.000 0.140 0.000 1.008 176 A HN 0.743 nan 8.150 nan 0.000 0.497 177 R N 1.415 121.819 120.500 -0.159 0.000 2.442 177 R HA 0.255 4.533 4.340 -0.104 0.000 0.291 177 R C -0.958 175.362 176.300 0.033 0.000 1.069 177 R CA 0.526 56.485 56.100 -0.235 0.000 1.022 177 R CB 0.418 30.300 30.300 -0.697 0.000 0.976 177 R HN 0.602 nan 8.270 nan 0.000 0.443 178 E N 4.006 124.244 120.200 0.063 0.000 2.191 178 E HA 0.173 4.461 4.350 -0.104 0.000 0.263 178 E C -0.817 175.852 176.600 0.114 0.000 0.881 178 E CA -0.938 55.528 56.400 0.111 0.000 0.757 178 E CB 1.819 31.587 29.700 0.112 0.000 1.147 178 E HN 0.591 nan 8.360 nan 0.000 0.414 179 Q N 1.088 120.922 119.800 0.056 0.000 2.368 179 Q HA 0.425 4.703 4.340 -0.104 0.000 0.237 179 Q C 0.114 176.133 176.000 0.031 0.000 0.987 179 Q CA -0.091 55.712 55.803 0.000 0.000 0.896 179 Q CB 0.994 29.610 28.738 -0.202 0.000 1.241 179 Q HN 0.460 nan 8.270 nan 0.000 0.485 180 I N 1.341 121.914 120.570 0.004 0.000 2.428 180 I HA 0.234 4.341 4.170 -0.104 0.000 0.296 180 I C -0.066 176.048 176.117 -0.005 0.000 0.985 180 I CA -0.827 60.472 61.300 -0.002 0.000 1.260 180 I CB 1.137 39.115 38.000 -0.036 0.000 1.389 180 I HN 0.481 nan 8.210 nan 0.000 0.484 181 N N 4.199 122.911 118.700 0.020 0.000 2.425 181 N HA 0.401 5.079 4.740 -0.104 0.000 0.268 181 N C -0.024 175.516 175.510 0.050 0.000 0.991 181 N CA -0.352 52.723 53.050 0.040 0.000 0.931 181 N CB 1.845 40.360 38.487 0.047 0.000 1.130 181 N HN 0.720 nan 8.380 nan 0.000 0.493 182 A N 2.669 125.530 122.820 0.068 0.000 2.387 182 A HA 0.261 4.519 4.320 -0.104 0.000 0.234 182 A C 0.421 178.110 177.584 0.175 0.000 1.253 182 A CA 0.035 52.131 52.037 0.097 0.000 0.894 182 A CB -0.300 18.733 19.000 0.053 0.000 0.963 182 A HN 0.501 nan 8.150 nan 0.000 0.508 183 V N -3.127 116.895 119.914 0.180 0.000 3.166 183 V HA 0.773 4.831 4.120 -0.104 0.000 0.317 183 V C 0.135 176.319 176.094 0.151 0.000 1.136 183 V CA -0.283 62.123 62.300 0.176 0.000 1.035 183 V CB 0.875 32.806 31.823 0.180 0.000 1.110 183 V HN 0.333 nan 8.190 nan 0.000 0.450 184 T N -1.211 113.447 114.554 0.173 0.000 2.832 184 T HA 0.243 4.531 4.350 -0.104 0.000 0.296 184 T C 0.925 175.700 174.700 0.125 0.000 0.968 184 T CA 0.352 62.573 62.100 0.202 0.000 1.107 184 T CB 0.908 69.970 68.868 0.323 0.000 0.916 184 T HN 0.776 nan 8.240 nan 0.000 0.517 185 S N 1.796 117.468 115.700 -0.046 0.000 2.584 185 S HA 0.094 4.502 4.470 -0.104 0.000 0.240 185 S C 0.056 174.493 174.600 -0.272 0.000 0.975 185 S CA 0.353 58.425 58.200 -0.213 0.000 0.949 185 S CB -0.653 62.331 63.200 -0.359 0.000 0.761 185 S HN 0.655 nan 8.310 nan 0.000 0.536 186 F N 0.646 120.701 119.950 0.174 0.000 2.385 186 F HA 0.358 4.822 4.527 -0.105 0.000 0.336 186 F C 0.509 176.461 175.800 0.253 0.000 1.100 186 F CA -0.994 57.142 58.000 0.227 0.000 1.116 186 F CB 0.515 39.652 39.000 0.228 0.000 1.166 186 F HN -0.113 nan 8.300 nan 0.000 0.511 187 L N 4.000 125.534 121.223 0.518 0.000 2.451 187 L HA 0.076 4.354 4.340 -0.104 0.000 0.272 187 L C -0.061 177.050 176.870 0.402 0.000 1.258 187 L CA 0.197 55.312 54.840 0.458 0.000 1.132 187 L CB -0.533 41.875 42.059 0.582 0.000 1.361 187 L HN 0.718 nan 8.230 nan 0.000 0.438 188 D N 1.191 121.794 120.400 0.339 0.000 2.540 188 D HA 0.158 4.736 4.640 -0.104 0.000 0.229 188 D C 0.810 177.260 176.300 0.250 0.000 1.250 188 D CA 0.284 54.452 54.000 0.279 0.000 0.817 188 D CB 0.611 41.571 40.800 0.268 0.000 1.060 188 D HN 0.285 nan 8.370 nan 0.000 0.508 189 A N 0.690 123.639 122.820 0.214 0.000 2.952 189 A HA -0.265 3.992 4.320 -0.104 0.000 0.252 189 A C 1.801 179.445 177.584 0.100 0.000 1.323 189 A CA 1.233 53.351 52.037 0.137 0.000 0.957 189 A CB -2.687 16.439 19.000 0.211 0.000 1.130 189 A HN 0.792 nan 8.150 nan 0.000 0.799 190 S N -0.129 115.663 115.700 0.153 0.000 2.462 190 S HA -0.163 4.245 4.470 -0.104 0.000 0.243 190 S C 1.755 176.384 174.600 0.048 0.000 1.003 190 S CA 1.538 59.821 58.200 0.138 0.000 0.970 190 S CB -1.000 62.297 63.200 0.162 0.000 0.762 190 S HN 1.899 nan 8.310 nan 0.000 0.510 191 L N -1.054 120.176 121.223 0.012 0.000 2.291 191 L HA 0.224 4.502 4.340 -0.104 0.000 0.214 191 L C 1.943 178.798 176.870 -0.025 0.000 1.120 191 L CA 0.708 55.559 54.840 0.017 0.000 0.799 191 L CB -0.322 41.753 42.059 0.027 0.000 0.925 191 L HN 0.194 nan 8.230 nan 0.000 0.446 192 V N -0.917 118.860 119.914 -0.227 0.000 2.949 192 V HA -0.031 4.027 4.120 -0.104 0.000 0.245 192 V C 1.512 177.241 176.094 -0.608 0.000 1.086 192 V CA 0.966 62.978 62.300 -0.480 0.000 1.097 192 V CB -0.272 31.038 31.823 -0.855 0.000 0.762 192 V HN 0.433 nan 8.190 nan 0.000 0.470 193 Y N 0.352 120.638 120.300 -0.023 0.000 2.430 193 Y HA 0.609 5.090 4.550 -0.114 0.000 0.248 193 Y C 1.301 177.200 175.900 -0.002 0.000 1.108 193 Y CA -0.005 58.090 58.100 -0.008 0.000 1.264 193 Y CB 0.195 38.666 38.460 0.019 0.000 1.172 193 Y HN 0.251 nan 8.280 nan 0.000 0.520 194 G N 0.007 108.847 108.800 0.067 0.000 2.707 194 G HA2 -0.131 3.767 3.960 -0.104 0.000 0.686 194 G HA3 -0.131 3.767 3.960 -0.104 0.000 0.686 194 G C 0.191 175.154 174.900 0.104 0.000 1.315 194 G CA -0.186 44.936 45.100 0.037 0.000 0.832 194 G HN 0.047 nan 8.290 nan 0.000 0.573 195 S N 0.364 116.129 115.700 0.109 0.000 2.730 195 S HA 0.363 4.771 4.470 -0.104 0.000 0.244 195 S C 0.238 174.912 174.600 0.125 0.000 1.022 195 S CA 0.378 58.658 58.200 0.133 0.000 1.014 195 S CB 0.523 63.813 63.200 0.150 0.000 0.963 195 S HN 0.615 nan 8.310 nan 0.000 0.540 196 E N 1.685 121.955 120.200 0.115 0.000 2.288 196 E HA 0.425 4.712 4.350 -0.104 0.000 0.268 196 E C -2.815 173.832 176.600 0.079 0.000 0.885 196 E CA -2.378 54.081 56.400 0.100 0.000 0.767 196 E CB 1.419 31.187 29.700 0.113 0.000 1.220 196 E HN -0.036 nan 8.360 nan 0.000 0.427 200 A N 0.019 122.859 122.820 0.034 0.000 1.883 200 A HA -0.141 4.117 4.320 -0.104 0.000 0.217 200 A C 2.243 179.804 177.584 -0.038 0.000 1.186 200 A CA 2.463 54.522 52.037 0.036 0.000 0.624 200 A CB -1.038 18.001 19.000 0.065 0.000 0.822 200 A HN 0.512 nan 8.150 nan 0.000 0.444 201 S N -1.095 114.576 115.700 -0.049 0.000 2.351 201 S HA -0.195 4.213 4.470 -0.104 0.000 0.220 201 S C 2.207 176.767 174.600 -0.066 0.000 1.035 201 S CA 1.388 59.539 58.200 -0.082 0.000 1.031 201 S CB -0.375 62.792 63.200 -0.055 0.000 0.928 201 S HN 0.549 nan 8.310 nan 0.000 0.433 202 R N 0.072 120.555 120.500 -0.029 0.000 2.170 202 R HA -0.086 4.192 4.340 -0.104 0.000 0.242 202 R C 1.687 177.967 176.300 -0.034 0.000 1.145 202 R CA 0.943 57.032 56.100 -0.019 0.000 0.984 202 R CB -0.351 29.954 30.300 0.009 0.000 0.869 202 R HN 0.328 nan 8.270 nan 0.000 0.455 203 L N 0.095 121.291 121.223 -0.046 0.000 2.313 203 L HA 0.028 4.306 4.340 -0.104 0.000 0.214 203 L C 1.001 177.832 176.870 -0.065 0.000 1.119 203 L CA 1.153 55.960 54.840 -0.055 0.000 0.809 203 L CB -0.511 41.525 42.059 -0.039 0.000 0.933 203 L HN -0.012 nan 8.230 nan 0.000 0.449 204 R N 0.279 120.720 120.500 -0.098 0.000 2.560 204 R HA 0.110 4.388 4.340 -0.104 0.000 0.270 204 R C 0.145 176.396 176.300 -0.083 0.000 1.074 204 R CA -0.457 55.562 56.100 -0.135 0.000 1.140 204 R CB 0.370 30.497 30.300 -0.288 0.000 1.073 204 R HN -0.073 nan 8.270 nan 0.000 0.527 205 N N 2.641 121.307 118.700 -0.057 0.000 2.558 205 N HA 0.101 4.778 4.740 -0.104 0.000 0.233 205 N C -0.280 175.208 175.510 -0.036 0.000 1.038 205 N CA -0.109 52.926 53.050 -0.026 0.000 0.934 205 N CB 0.463 38.956 38.487 0.009 0.000 1.175 205 N HN 0.447 nan 8.380 nan 0.000 0.512 206 L N 1.169 122.366 121.223 -0.043 0.000 2.741 206 L HA 0.291 4.569 4.340 -0.104 0.000 0.237 206 L C 1.251 178.110 176.870 -0.019 0.000 1.178 206 L CA -0.097 54.717 54.840 -0.044 0.000 0.973 206 L CB 0.181 42.205 42.059 -0.059 0.000 1.255 206 L HN 0.255 nan 8.230 nan 0.000 0.498 207 S N -1.207 114.490 115.700 -0.006 0.000 2.517 207 S HA 0.096 4.504 4.470 -0.104 0.000 0.214 207 S C 0.843 175.450 174.600 0.011 0.000 0.991 207 S CA 0.155 58.358 58.200 0.006 0.000 0.906 207 S CB 0.263 63.471 63.200 0.014 0.000 0.789 207 S HN 0.504 nan 8.310 nan 0.000 0.513 208 S N 1.544 117.251 115.700 0.012 0.000 2.570 208 S HA 0.525 4.933 4.470 -0.104 0.000 0.286 208 S C -2.911 171.699 174.600 0.017 0.000 1.099 208 S CA -1.377 56.835 58.200 0.019 0.000 0.913 208 S CB 1.935 65.152 63.200 0.028 0.000 1.085 208 S HN -0.036 nan 8.310 nan 0.000 0.480 209 P HA 0.312 nan 4.420 nan 0.000 0.249 209 P C 0.340 177.663 177.300 0.038 0.000 1.583 209 P CA -0.123 62.992 63.100 0.025 0.000 0.988 209 P CB -0.290 31.427 31.700 0.029 0.000 1.530 210 L N -1.425 119.823 121.223 0.041 0.000 2.592 210 L HA 0.341 4.619 4.340 -0.104 0.000 0.227 210 L C 1.517 178.427 176.870 0.067 0.000 1.127 210 L CA 0.611 55.482 54.840 0.051 0.000 0.884 210 L CB -0.707 41.379 42.059 0.045 0.000 1.065 210 L HN 0.101 nan 8.230 nan 0.000 0.457 211 G N 0.861 109.704 108.800 0.072 0.000 2.160 211 G HA2 -0.266 3.632 3.960 -0.104 0.000 0.251 211 G HA3 -0.266 3.632 3.960 -0.104 0.000 0.251 211 G C 0.170 175.200 174.900 0.217 0.000 1.008 211 G CA -0.013 45.161 45.100 0.124 0.000 0.724 211 G HN 0.231 nan 8.290 nan 0.000 0.514 212 L N -0.224 121.092 121.223 0.154 0.000 2.456 212 L HA 0.589 4.867 4.340 -0.104 0.000 0.257 212 L C 1.278 178.244 176.870 0.160 0.000 1.162 212 L CA -0.787 54.167 54.840 0.190 0.000 0.808 212 L CB 0.523 42.646 42.059 0.106 0.000 1.136 212 L HN 0.067 nan 8.230 nan 0.000 0.466 213 M N 1.101 120.783 119.600 0.137 0.000 2.314 213 M HA 0.324 4.742 4.480 -0.104 0.000 0.342 213 M C 0.136 176.427 176.300 -0.016 0.000 1.171 213 M CA -0.594 54.709 55.300 0.005 0.000 1.098 213 M CB 1.525 34.074 32.600 -0.085 0.000 1.559 213 M HN 0.702 nan 8.290 nan 0.000 0.459 214 A N 2.773 125.567 122.820 -0.042 0.000 2.565 214 A HA 0.360 4.618 4.320 -0.104 0.000 0.237 214 A C 0.020 177.553 177.584 -0.085 0.000 1.053 214 A CA -0.279 51.730 52.037 -0.047 0.000 0.755 214 A CB -0.212 18.760 19.000 -0.047 0.000 0.980 214 A HN 0.791 nan 8.150 nan 0.000 0.506 215 V N 1.167 121.028 119.914 -0.089 0.000 3.046 215 V HA 0.591 4.648 4.120 -0.104 0.000 0.316 215 V C 0.105 176.093 176.094 -0.176 0.000 1.104 215 V CA -1.342 60.848 62.300 -0.183 0.000 1.006 215 V CB 1.861 33.531 31.823 -0.255 0.000 1.058 215 V HN 0.885 nan 8.190 nan 0.000 0.440 216 N N 2.527 121.055 118.700 -0.287 0.000 2.475 216 N HA 0.161 4.839 4.740 -0.104 0.000 0.267 216 N C 0.317 175.735 175.510 -0.152 0.000 1.169 216 N CA 0.177 53.080 53.050 -0.246 0.000 0.947 216 N CB 1.332 39.573 38.487 -0.410 0.000 1.061 216 N HN 0.802 nan 8.380 nan 0.000 0.466 217 Q N 2.164 121.992 119.800 0.047 0.000 2.219 217 Q HA 0.049 4.327 4.340 -0.104 0.000 0.209 217 Q C 0.334 176.492 176.000 0.263 0.000 0.854 217 Q CA 0.059 56.002 55.803 0.233 0.000 0.960 217 Q CB 0.538 29.409 28.738 0.222 0.000 1.116 217 Q HN 0.682 nan 8.270 nan 0.000 0.500 218 E N 0.463 120.788 120.200 0.208 0.000 2.318 218 E HA 0.163 4.450 4.350 -0.104 0.000 0.193 218 E C -0.236 176.552 176.600 0.312 0.000 0.998 218 E CA 0.312 56.884 56.400 0.286 0.000 0.859 218 E CB 0.613 30.584 29.700 0.452 0.000 0.812 218 E HN 0.247 nan 8.360 nan 0.000 0.492 219 A N -0.746 122.233 122.820 0.264 0.000 2.605 219 A HA 0.572 4.829 4.320 -0.104 0.000 0.294 219 A C -2.077 175.717 177.584 0.350 0.000 1.062 219 A CA -0.767 51.475 52.037 0.341 0.000 0.682 219 A CB 0.591 19.762 19.000 0.286 0.000 1.278 219 A HN 0.153 nan 8.150 nan 0.000 0.410 220 W N 0.121 121.591 121.300 0.284 0.000 2.950 220 W HA 0.576 5.173 4.660 -0.106 0.000 0.340 220 W C -0.870 175.579 176.519 -0.118 0.000 1.139 220 W CA 0.037 57.410 57.345 0.047 0.000 1.188 220 W CB 2.026 31.478 29.460 -0.014 0.000 1.426 220 W HN 0.643 nan 8.180 nan 0.000 0.531 221 D N 1.585 121.782 120.400 -0.337 0.000 2.505 221 D HA 0.151 4.729 4.640 -0.104 0.000 0.242 221 D C 0.091 176.411 176.300 0.032 0.000 1.136 221 D CA 0.105 53.915 54.000 -0.316 0.000 0.954 221 D CB -0.413 39.968 40.800 -0.699 0.000 1.002 221 D HN 0.467 nan 8.370 nan 0.000 0.512 222 H N 1.845 121.005 119.070 0.150 0.000 2.604 222 H HA -0.200 4.294 4.556 -0.105 0.000 0.321 222 H C 1.320 176.766 175.328 0.198 0.000 1.132 222 H CA 1.115 57.266 56.048 0.171 0.000 1.129 222 H CB -1.316 28.574 29.762 0.214 0.000 1.526 222 H HN 0.727 nan 8.280 nan 0.000 0.415 223 G N -0.801 108.162 108.800 0.273 0.000 2.205 223 G HA2 -0.326 3.572 3.960 -0.104 0.000 0.261 223 G HA3 -0.326 3.572 3.960 -0.104 0.000 0.261 223 G C 0.321 175.497 174.900 0.460 0.000 0.980 223 G CA 0.406 45.630 45.100 0.206 0.000 0.632 223 G HN 0.454 nan 8.290 nan 0.000 0.533 224 L N 0.987 122.413 121.223 0.338 0.000 2.325 224 L HA 0.777 5.055 4.340 -0.104 0.000 0.279 224 L C 1.111 177.824 176.870 -0.261 0.000 1.054 224 L CA -0.467 54.418 54.840 0.076 0.000 0.804 224 L CB 1.558 43.547 42.059 -0.117 0.000 1.200 224 L HN 0.309 nan 8.230 nan 0.000 0.436 225 A N 2.854 125.411 122.820 -0.438 0.000 2.448 225 A HA 0.328 4.585 4.320 -0.104 0.000 0.239 225 A C -0.913 176.218 177.584 -0.755 0.000 1.080 225 A CA 0.437 51.982 52.037 -0.820 0.000 0.779 225 A CB 0.047 18.742 19.000 -0.507 0.000 1.026 225 A HN 0.640 nan 8.150 nan 0.000 0.499 226 Y N -0.571 119.340 120.300 -0.648 0.000 2.536 226 Y HA 0.448 4.936 4.550 -0.103 0.000 0.347 226 Y C 0.088 175.595 175.900 -0.655 0.000 1.000 226 Y CA -1.035 56.703 58.100 -0.604 0.000 1.051 226 Y CB 1.742 39.869 38.460 -0.555 0.000 1.259 226 Y HN 0.574 nan 8.280 nan 0.000 0.468 227 L N 4.061 124.898 121.223 -0.644 0.000 2.483 227 L HA 0.139 4.417 4.340 -0.104 0.000 0.275 227 L C -2.282 174.318 176.870 -0.450 0.000 1.220 227 L CA -1.463 53.039 54.840 -0.562 0.000 0.833 227 L CB -0.167 41.493 42.059 -0.665 0.000 1.102 227 L HN 0.324 nan 8.230 nan 0.000 0.490 228 P HA 0.059 nan 4.420 nan 0.000 0.272 228 P C -0.701 176.581 177.300 -0.030 0.000 1.223 228 P CA -0.214 62.781 63.100 -0.174 0.000 0.784 228 P CB 0.356 32.009 31.700 -0.078 0.000 0.923 229 F N 0.867 120.899 119.950 0.136 0.000 2.440 229 F HA 0.158 4.625 4.527 -0.101 0.000 0.323 229 F C 1.547 177.398 175.800 0.085 0.000 1.192 229 F CA 0.365 58.445 58.000 0.133 0.000 1.252 229 F CB -0.084 38.954 39.000 0.063 0.000 1.214 229 F HN 0.266 nan 8.300 nan 0.000 0.578 230 N N 0.777 119.662 118.700 0.308 0.000 2.434 230 N HA 0.019 4.697 4.740 -0.104 0.000 0.266 230 N C 0.380 175.975 175.510 0.140 0.000 1.223 230 N CA -0.072 53.090 53.050 0.187 0.000 0.972 230 N CB 0.663 39.250 38.487 0.166 0.000 1.207 230 N HN 0.506 nan 8.380 nan 0.000 0.525 231 N N 0.357 119.123 118.700 0.109 0.000 2.280 231 N HA 0.023 4.701 4.740 -0.104 0.000 0.192 231 N C -0.921 174.617 175.510 0.046 0.000 1.109 231 N CA 0.430 53.527 53.050 0.079 0.000 0.855 231 N CB 0.106 38.639 38.487 0.077 0.000 0.974 231 N HN 0.530 nan 8.380 nan 0.000 0.482 232 K N 0.494 120.917 120.400 0.039 0.000 2.553 232 K HA 0.230 4.487 4.320 -0.104 0.000 0.250 232 K C -1.104 175.497 176.600 0.002 0.000 0.953 232 K CA -0.604 55.695 56.287 0.022 0.000 0.800 232 K CB 1.577 34.102 32.500 0.041 0.000 1.243 232 K HN -0.218 nan 8.250 nan 0.000 0.435 233 K N 2.802 123.196 120.400 -0.011 0.000 2.102 233 K HA 0.381 4.639 4.320 -0.104 0.000 0.244 233 K C -2.302 174.276 176.600 -0.037 0.000 1.021 233 K CA -1.664 54.611 56.287 -0.020 0.000 0.913 233 K CB 0.595 33.083 32.500 -0.020 0.000 1.062 233 K HN 0.430 nan 8.250 nan 0.000 0.485 234 P HA 0.147 nan 4.420 nan 0.000 0.281 234 P C -1.454 175.817 177.300 -0.048 0.000 1.249 234 P CA -0.514 62.565 63.100 -0.035 0.000 0.810 234 P CB 1.444 33.119 31.700 -0.041 0.000 1.008 235 S N 1.446 117.136 115.700 -0.018 0.000 2.532 235 S HA 0.501 4.908 4.470 -0.104 0.000 0.299 235 S C -1.997 172.584 174.600 -0.031 0.000 1.105 235 S CA -1.751 56.434 58.200 -0.024 0.000 1.018 235 S CB 0.942 64.141 63.200 -0.001 0.000 1.021 235 S HN 0.118 nan 8.310 nan 0.000 0.483 236 P HA 0.027 nan 4.420 nan 0.000 0.216 236 P C 1.044 178.306 177.300 -0.063 0.000 1.153 236 P CA 1.034 63.969 63.100 -0.274 0.000 0.848 236 P CB -0.038 31.189 31.700 -0.788 0.000 0.787 237 c N -0.988 117.636 118.600 0.041 0.000 2.495 237 c HA 0.098 4.606 4.570 -0.104 0.000 0.275 237 c C 2.416 176.560 174.090 0.090 0.000 1.392 237 c CA 0.135 56.523 56.329 0.100 0.000 1.766 237 c CB -1.351 41.202 42.510 0.072 0.000 1.933 237 c HN 0.322 nan 8.230 nan 0.000 0.519 238 E N 0.194 120.428 120.200 0.057 0.000 2.122 238 E HA -0.075 4.213 4.350 -0.104 0.000 0.190 238 E C 1.697 178.330 176.600 0.055 0.000 0.977 238 E CA 0.707 57.120 56.400 0.020 0.000 0.820 238 E CB -0.157 29.533 29.700 -0.016 0.000 0.770 238 E HN 0.738 nan 8.360 nan 0.000 0.462 239 F N 1.824 121.749 119.950 -0.042 0.000 2.146 239 F HA -0.127 4.338 4.527 -0.104 0.000 0.298 239 F C 2.128 177.919 175.800 -0.014 0.000 1.096 239 F CA 1.192 59.180 58.000 -0.021 0.000 1.275 239 F CB 0.034 39.038 39.000 0.006 0.000 1.008 239 F HN -0.040 nan 8.300 nan 0.000 0.480 240 I N -1.405 119.335 120.570 0.284 0.000 3.334 240 I HA -0.007 4.101 4.170 -0.104 0.000 0.282 240 I C -0.127 176.082 176.117 0.152 0.000 1.313 240 I CA 0.793 62.234 61.300 0.234 0.000 1.396 240 I CB -0.458 37.633 38.000 0.152 0.000 1.054 240 I HN 0.157 nan 8.210 nan 0.000 0.495 241 N N 0.869 119.589 118.700 0.033 0.000 2.932 241 N HA 0.050 4.728 4.740 -0.104 0.000 0.242 241 N C 0.494 175.890 175.510 -0.189 0.000 1.351 241 N CA 0.299 53.262 53.050 -0.145 0.000 0.785 241 N CB 0.896 39.153 38.487 -0.384 0.000 1.501 241 N HN 0.204 nan 8.380 nan 0.000 0.584 242 T N -1.706 112.732 114.554 -0.193 0.000 3.163 242 T HA -0.006 4.282 4.350 -0.104 0.000 0.260 242 T C 1.241 175.834 174.700 -0.177 0.000 1.156 242 T CA 1.086 63.078 62.100 -0.180 0.000 1.072 242 T CB 0.038 68.788 68.868 -0.196 0.000 0.937 242 T HN 0.260 nan 8.240 nan 0.000 0.528 243 T N 1.409 115.833 114.554 -0.217 0.000 2.983 243 T HA 0.361 4.649 4.350 -0.104 0.000 0.250 243 T C 2.435 177.002 174.700 -0.222 0.000 1.037 243 T CA 0.636 62.613 62.100 -0.206 0.000 1.142 243 T CB -0.425 68.314 68.868 -0.216 0.000 0.876 243 T HN 0.528 nan 8.240 nan 0.000 0.455 244 A N 1.172 123.802 122.820 -0.316 0.000 1.968 244 A HA 0.045 4.303 4.320 -0.104 0.000 0.217 244 A C 1.118 178.593 177.584 -0.183 0.000 1.169 244 A CA 0.587 52.452 52.037 -0.286 0.000 0.638 244 A CB -0.227 18.486 19.000 -0.478 0.000 0.812 244 A HN 0.326 nan 8.150 nan 0.000 0.446 245 R N -1.499 118.895 120.500 -0.176 0.000 3.333 245 R HA -0.141 4.137 4.340 -0.104 0.000 0.256 245 R C -0.939 175.260 176.300 -0.169 0.000 1.010 245 R CA 0.792 56.804 56.100 -0.147 0.000 0.680 245 R CB -2.611 27.606 30.300 -0.138 0.000 1.102 245 R HN 0.295 nan 8.270 nan 0.000 0.440 246 V N 1.896 121.734 119.914 -0.127 0.000 2.328 246 V HA 0.248 4.306 4.120 -0.104 0.000 0.278 246 V C -1.645 174.336 176.094 -0.189 0.000 1.021 246 V CA -1.673 60.524 62.300 -0.173 0.000 0.838 246 V CB 1.862 33.684 31.823 -0.001 0.000 0.999 246 V HN 0.053 nan 8.190 nan 0.000 0.447 247 P HA 0.080 nan 4.420 nan 0.000 0.269 247 P C 0.013 177.262 177.300 -0.086 0.000 1.217 247 P CA -0.327 62.646 63.100 -0.211 0.000 0.783 247 P CB 0.383 31.894 31.700 -0.314 0.000 0.898 248 c N 1.448 120.037 118.600 -0.019 0.000 2.703 248 c HA 0.171 4.679 4.570 -0.104 0.000 0.411 248 c C 0.855 174.973 174.090 0.047 0.000 1.290 248 c CA 0.148 56.471 56.329 -0.009 0.000 2.054 248 c CB -1.327 41.246 42.510 0.105 0.000 2.732 248 c HN 0.390 nan 8.230 nan 0.000 0.650 249 F N 1.174 121.184 119.950 0.100 0.000 2.375 249 F HA 0.533 5.001 4.527 -0.099 0.000 0.313 249 F C 0.316 176.096 175.800 -0.034 0.000 1.176 249 F CA -0.712 57.294 58.000 0.011 0.000 1.142 249 F CB 0.319 39.265 39.000 -0.091 0.000 1.275 249 F HN 0.265 nan 8.300 nan 0.000 0.544 250 L N 1.476 122.785 121.223 0.142 0.000 2.325 250 L HA 0.777 5.055 4.340 -0.104 0.000 0.281 250 L C -0.667 176.105 176.870 -0.163 0.000 1.004 250 L CA -0.016 54.810 54.840 -0.023 0.000 0.823 250 L CB 0.717 42.780 42.059 0.006 0.000 1.236 250 L HN 0.680 nan 8.230 nan 0.000 0.415 251 A N 2.901 125.542 122.820 -0.300 0.000 2.524 251 A HA 0.664 4.921 4.320 -0.104 0.000 0.289 251 A C 0.789 178.134 177.584 -0.398 0.000 1.248 251 A CA -0.133 51.700 52.037 -0.340 0.000 0.712 251 A CB 0.686 19.405 19.000 -0.469 0.000 1.312 251 A HN 0.795 nan 8.150 nan 0.000 0.441 252 G N -0.721 107.911 108.800 -0.280 0.000 2.625 252 G HA2 0.148 4.046 3.960 -0.104 0.000 0.214 252 G HA3 0.148 4.046 3.960 -0.104 0.000 0.214 252 G C 0.209 174.940 174.900 -0.282 0.000 1.132 252 G CA 1.233 46.194 45.100 -0.231 0.000 0.782 252 G HN 0.736 nan 8.290 nan 0.000 0.538 253 D N -1.552 118.630 120.400 -0.364 0.000 2.896 253 D HA 0.236 4.813 4.640 -0.104 0.000 0.241 253 D C 0.055 176.070 176.300 -0.474 0.000 1.188 253 D CA -0.795 53.007 54.000 -0.330 0.000 0.879 253 D CB 1.353 42.063 40.800 -0.151 0.000 1.553 253 D HN -0.029 nan 8.370 nan 0.000 0.515 254 F N 1.877 121.700 119.950 -0.212 0.000 2.365 254 F HA -0.008 4.459 4.527 -0.100 0.000 0.300 254 F C 1.996 177.667 175.800 -0.215 0.000 1.090 254 F CA 0.503 58.403 58.000 -0.168 0.000 1.408 254 F CB 0.224 39.205 39.000 -0.033 0.000 1.060 254 F HN 0.213 nan 8.300 nan 0.000 0.534 255 R N 0.204 120.540 120.500 -0.274 0.000 2.335 255 R HA 0.198 4.476 4.340 -0.104 0.000 0.223 255 R C 1.924 178.138 176.300 -0.143 0.000 0.940 255 R CA 0.541 56.505 56.100 -0.227 0.000 1.086 255 R CB -0.934 29.082 30.300 -0.473 0.000 1.073 255 R HN 0.130 nan 8.270 nan 0.000 0.504 256 A N 0.447 123.142 122.820 -0.210 0.000 1.997 256 A HA -0.195 4.063 4.320 -0.104 0.000 0.221 256 A C 1.556 179.094 177.584 -0.077 0.000 1.172 256 A CA 1.981 53.839 52.037 -0.297 0.000 0.645 256 A CB -0.250 18.338 19.000 -0.688 0.000 0.813 256 A HN 0.307 nan 8.150 nan 0.000 0.454 257 S N -0.765 114.910 115.700 -0.042 0.000 2.572 257 S HA 0.087 4.495 4.470 -0.104 0.000 0.228 257 S C 1.348 175.774 174.600 -0.290 0.000 0.963 257 S CA 0.148 58.329 58.200 -0.031 0.000 0.939 257 S CB 0.271 63.504 63.200 0.055 0.000 0.804 257 S HN 0.631 nan 8.310 nan 0.000 0.480 258 E N 2.053 121.989 120.200 -0.441 0.000 2.136 258 E HA -0.239 4.048 4.350 -0.104 0.000 0.202 258 E C 0.317 176.594 176.600 -0.538 0.000 1.019 258 E CA 1.609 57.500 56.400 -0.849 0.000 0.819 258 E CB 0.126 29.616 29.700 -0.351 0.000 0.739 258 E HN 0.755 nan 8.360 nan 0.000 0.458 259 Q N -1.910 117.767 119.800 -0.204 0.000 2.435 259 Q HA 0.327 4.604 4.340 -0.104 0.000 0.282 259 Q C 0.517 176.483 176.000 -0.057 0.000 1.020 259 Q CA -0.384 55.380 55.803 -0.065 0.000 0.820 259 Q CB 0.461 29.234 28.738 0.059 0.000 1.436 259 Q HN 0.006 nan 8.270 nan 0.000 0.395 260 I N 0.674 121.201 120.570 -0.073 0.000 2.567 260 I HA -0.171 3.937 4.170 -0.104 0.000 0.257 260 I C 0.794 176.901 176.117 -0.016 0.000 1.184 260 I CA 1.196 62.460 61.300 -0.060 0.000 1.451 260 I CB 0.170 38.092 38.000 -0.130 0.000 1.089 260 I HN 0.737 nan 8.210 nan 0.000 0.441 261 L N -0.633 120.581 121.223 -0.015 0.000 2.270 261 L HA -0.119 4.158 4.340 -0.104 0.000 0.210 261 L C 2.321 179.209 176.870 0.031 0.000 1.104 261 L CA 0.375 55.220 54.840 0.009 0.000 0.804 261 L CB -0.464 41.598 42.059 0.005 0.000 0.937 261 L HN 0.298 nan 8.230 nan 0.000 0.450 262 L N 0.612 121.850 121.223 0.026 0.000 2.072 262 L HA -0.029 4.249 4.340 -0.104 0.000 0.205 262 L C 2.634 179.592 176.870 0.147 0.000 1.079 262 L CA 1.865 56.738 54.840 0.055 0.000 0.752 262 L CB -0.577 41.509 42.059 0.045 0.000 0.906 262 L HN 0.094 nan 8.230 nan 0.000 0.436 263 A N -1.405 121.496 122.820 0.134 0.000 1.972 263 A HA -0.184 4.074 4.320 -0.104 0.000 0.219 263 A C 2.278 179.937 177.584 0.126 0.000 1.169 263 A CA 2.209 54.357 52.037 0.185 0.000 0.635 263 A CB -1.193 17.972 19.000 0.275 0.000 0.810 263 A HN 0.520 nan 8.150 nan 0.000 0.446 264 T N -0.041 114.569 114.554 0.093 0.000 2.701 264 T HA 0.003 4.290 4.350 -0.104 0.000 0.263 264 T C 2.291 177.031 174.700 0.068 0.000 1.040 264 T CA 1.683 63.822 62.100 0.065 0.000 1.147 264 T CB -0.475 68.425 68.868 0.053 0.000 0.865 264 T HN 0.602 nan 8.240 nan 0.000 0.426 265 A N 1.365 124.236 122.820 0.084 0.000 1.892 265 A HA -0.234 4.024 4.320 -0.104 0.000 0.218 265 A C 2.108 179.689 177.584 -0.005 0.000 1.188 265 A CA 1.753 53.844 52.037 0.090 0.000 0.631 265 A CB -1.030 18.006 19.000 0.061 0.000 0.822 265 A HN 0.598 nan 8.150 nan 0.000 0.447 266 H N -0.399 118.651 119.070 -0.033 0.000 2.387 266 H HA -0.101 4.395 4.556 -0.100 0.000 0.299 266 H C 2.299 177.541 175.328 -0.143 0.000 1.099 266 H CA 1.996 57.985 56.048 -0.099 0.000 1.315 266 H CB -0.397 29.296 29.762 -0.115 0.000 1.380 266 H HN 0.518 nan 8.280 nan 0.000 0.513 267 T N 1.534 116.070 114.554 -0.030 0.000 2.788 267 T HA -0.103 4.185 4.350 -0.104 0.000 0.268 267 T C 2.168 176.800 174.700 -0.113 0.000 1.044 267 T CA 0.475 62.504 62.100 -0.120 0.000 1.139 267 T CB -0.145 68.652 68.868 -0.119 0.000 0.867 267 T HN 0.061 nan 8.240 nan 0.000 0.454 268 L N 0.738 121.917 121.223 -0.073 0.000 2.083 268 L HA 0.072 4.349 4.340 -0.104 0.000 0.209 268 L C 2.284 179.052 176.870 -0.170 0.000 1.083 268 L CA 1.370 56.141 54.840 -0.115 0.000 0.752 268 L CB -1.372 40.636 42.059 -0.085 0.000 0.899 268 L HN 0.334 nan 8.230 nan 0.000 0.433 269 L N -1.654 119.481 121.223 -0.148 0.000 2.109 269 L HA -0.183 4.095 4.340 -0.104 0.000 0.207 269 L C 2.461 179.237 176.870 -0.156 0.000 1.086 269 L CA 0.342 55.078 54.840 -0.173 0.000 0.760 269 L CB -0.523 41.440 42.059 -0.161 0.000 0.910 269 L HN 0.206 nan 8.230 nan 0.000 0.437 270 L N 0.179 121.312 121.223 -0.149 0.000 2.012 270 L HA -0.205 4.073 4.340 -0.104 0.000 0.210 270 L C 2.798 179.616 176.870 -0.087 0.000 1.073 270 L CA 1.738 56.501 54.840 -0.129 0.000 0.748 270 L CB -0.428 41.529 42.059 -0.171 0.000 0.891 270 L HN 0.093 nan 8.230 nan 0.000 0.431 271 R N -0.620 119.799 120.500 -0.135 0.000 2.073 271 R HA -0.226 4.052 4.340 -0.104 0.000 0.234 271 R C 2.212 178.435 176.300 -0.128 0.000 1.134 271 R CA 1.544 57.564 56.100 -0.133 0.000 0.952 271 R CB -0.501 29.699 30.300 -0.166 0.000 0.850 271 R HN 0.420 nan 8.270 nan 0.000 0.433 272 E N 0.347 120.440 120.200 -0.178 0.000 2.118 272 E HA -0.260 4.028 4.350 -0.104 0.000 0.195 272 E C 1.789 178.300 176.600 -0.148 0.000 0.992 272 E CA 1.799 58.064 56.400 -0.225 0.000 0.804 272 E CB -0.180 29.301 29.700 -0.366 0.000 0.741 272 E HN 0.472 nan 8.360 nan 0.000 0.458 273 H N -0.412 118.577 119.070 -0.135 0.000 2.321 273 H HA -0.042 4.454 4.556 -0.099 0.000 0.300 273 H C 1.673 176.974 175.328 -0.045 0.000 1.087 273 H CA 2.130 58.148 56.048 -0.050 0.000 1.319 273 H CB -0.060 29.739 29.762 0.062 0.000 1.379 273 H HN 0.146 nan 8.280 nan 0.000 0.501 274 N N 0.287 119.040 118.700 0.088 0.000 2.188 274 N HA -0.117 4.560 4.740 -0.104 0.000 0.184 274 N C 1.824 177.296 175.510 -0.064 0.000 1.018 274 N CA 0.880 53.956 53.050 0.044 0.000 0.858 274 N CB -0.296 38.226 38.487 0.058 0.000 0.989 274 N HN 0.348 nan 8.380 nan 0.000 0.426 275 R N 0.076 120.518 120.500 -0.097 0.000 2.280 275 R HA 0.025 4.302 4.340 -0.104 0.000 0.207 275 R C 0.930 177.137 176.300 -0.156 0.000 1.043 275 R CA 0.392 56.424 56.100 -0.114 0.000 1.006 275 R CB 0.063 30.285 30.300 -0.130 0.000 0.885 275 R HN 0.087 nan 8.270 nan 0.000 0.467 276 L N -0.600 120.497 121.223 -0.210 0.000 2.253 276 L HA 0.212 4.490 4.340 -0.104 0.000 0.205 276 L C 2.087 178.819 176.870 -0.231 0.000 1.078 276 L CA 1.342 56.026 54.840 -0.261 0.000 0.805 276 L CB -0.446 41.411 42.059 -0.336 0.000 0.963 276 L HN 0.079 nan 8.230 nan 0.000 0.459 277 A N 0.431 123.107 122.820 -0.239 0.000 1.897 277 A HA -0.171 4.087 4.320 -0.104 0.000 0.215 277 A C 2.322 179.869 177.584 -0.062 0.000 1.181 277 A CA 1.389 53.335 52.037 -0.152 0.000 0.620 277 A CB -0.416 18.503 19.000 -0.136 0.000 0.821 277 A HN 0.510 nan 8.150 nan 0.000 0.443 278 R N -0.653 119.813 120.500 -0.057 0.000 2.092 278 R HA -0.067 4.211 4.340 -0.104 0.000 0.231 278 R C 1.690 177.966 176.300 -0.041 0.000 1.119 278 R CA 1.668 57.750 56.100 -0.030 0.000 0.970 278 R CB -0.399 29.889 30.300 -0.021 0.000 0.864 278 R HN 0.346 nan 8.270 nan 0.000 0.440 279 E N 1.121 121.280 120.200 -0.068 0.000 2.216 279 E HA 0.032 4.320 4.350 -0.104 0.000 0.192 279 E C 1.920 178.480 176.600 -0.067 0.000 0.988 279 E CA 0.664 57.022 56.400 -0.070 0.000 0.834 279 E CB -0.013 29.632 29.700 -0.091 0.000 0.772 279 E HN 0.355 nan 8.360 nan 0.000 0.479 280 L N 0.027 121.211 121.223 -0.065 0.000 2.291 280 L HA -0.061 4.217 4.340 -0.104 0.000 0.214 280 L C 2.135 178.979 176.870 -0.043 0.000 1.120 280 L CA 0.732 55.553 54.840 -0.031 0.000 0.799 280 L CB -0.196 41.907 42.059 0.073 0.000 0.925 280 L HN 0.009 nan 8.230 nan 0.000 0.446 281 K N 0.841 121.232 120.400 -0.015 0.000 2.025 281 K HA -0.170 4.087 4.320 -0.104 0.000 0.207 281 K C 1.993 178.569 176.600 -0.041 0.000 1.049 281 K CA 1.446 57.728 56.287 -0.010 0.000 0.933 281 K CB -0.027 32.482 32.500 0.014 0.000 0.714 281 K HN -0.126 nan 8.250 nan 0.000 0.438 282 K N 0.370 120.747 120.400 -0.038 0.000 2.015 282 K HA -0.119 4.139 4.320 -0.104 0.000 0.216 282 K C 1.982 178.550 176.600 -0.052 0.000 1.052 282 K CA 2.176 58.441 56.287 -0.036 0.000 0.937 282 K CB -0.466 32.014 32.500 -0.034 0.000 0.719 282 K HN 0.135 nan 8.250 nan 0.000 0.446 283 L N 0.268 121.447 121.223 -0.073 0.000 2.046 283 L HA -0.149 4.129 4.340 -0.104 0.000 0.208 283 L C 0.166 176.950 176.870 -0.143 0.000 1.077 283 L CA 0.856 55.642 54.840 -0.091 0.000 0.747 283 L CB -0.201 41.808 42.059 -0.083 0.000 0.896 283 L HN 0.215 nan 8.230 nan 0.000 0.432 284 N N -0.146 118.409 118.700 -0.242 0.000 2.851 284 N HA 0.178 4.856 4.740 -0.104 0.000 0.248 284 N C -2.057 173.350 175.510 -0.171 0.000 1.221 284 N CA -1.111 51.735 53.050 -0.341 0.000 0.847 284 N CB 0.989 38.729 38.487 -1.245 0.000 1.150 284 N HN 0.033 nan 8.380 nan 0.000 0.507 285 P HA -0.092 nan 4.420 nan 0.000 0.233 285 P C 0.968 178.323 177.300 0.091 0.000 1.167 285 P CA 0.970 64.092 63.100 0.036 0.000 0.770 285 P CB 0.073 31.796 31.700 0.038 0.000 0.837 286 H N -3.340 115.709 119.070 -0.035 0.000 2.535 286 H HA 0.013 4.506 4.556 -0.104 0.000 0.273 286 H C 0.158 175.610 175.328 0.206 0.000 0.983 286 H CA -0.278 55.801 56.048 0.050 0.000 1.238 286 H CB -0.891 28.887 29.762 0.027 0.000 1.412 286 H HN 0.001 nan 8.280 nan 0.000 0.562 287 W N 4.305 125.373 121.300 -0.387 0.000 2.170 287 W HA 0.145 4.735 4.660 -0.117 0.000 0.336 287 W C 1.050 177.509 176.519 -0.101 0.000 1.283 287 W CA -0.934 56.249 57.345 -0.271 0.000 1.224 287 W CB 0.320 29.640 29.460 -0.233 0.000 1.132 287 W HN 0.282 nan 8.180 nan 0.000 0.571 288 N N 0.450 119.231 118.700 0.135 0.000 2.405 288 N HA 0.199 4.877 4.740 -0.104 0.000 0.269 288 N C 1.131 176.671 175.510 0.050 0.000 1.249 288 N CA 0.260 53.352 53.050 0.071 0.000 0.974 288 N CB 0.142 38.651 38.487 0.036 0.000 1.204 288 N HN 0.456 nan 8.380 nan 0.000 0.565 289 G N 0.266 109.084 108.800 0.031 0.000 2.586 289 G HA2 -0.330 3.567 3.960 -0.104 0.000 0.218 289 G HA3 -0.330 3.567 3.960 -0.104 0.000 0.218 289 G C 1.180 176.087 174.900 0.012 0.000 1.216 289 G CA 0.770 45.884 45.100 0.022 0.000 0.786 289 G HN 0.741 nan 8.290 nan 0.000 0.583 290 E N 0.329 120.516 120.200 -0.022 0.000 2.049 290 E HA -0.202 4.086 4.350 -0.104 0.000 0.198 290 E C 2.487 179.027 176.600 -0.101 0.000 1.007 290 E CA 1.630 58.008 56.400 -0.036 0.000 0.809 290 E CB -0.204 29.465 29.700 -0.052 0.000 0.749 290 E HN 0.372 nan 8.360 nan 0.000 0.450 291 K N 0.476 120.782 120.400 -0.157 0.000 2.160 291 K HA -0.140 4.118 4.320 -0.104 0.000 0.206 291 K C 2.058 178.493 176.600 -0.275 0.000 1.047 291 K CA 0.751 56.841 56.287 -0.329 0.000 0.930 291 K CB -0.195 32.005 32.500 -0.501 0.000 0.720 291 K HN 0.045 nan 8.250 nan 0.000 0.450 292 L N -0.048 121.134 121.223 -0.069 0.000 2.044 292 L HA -0.127 4.151 4.340 -0.104 0.000 0.205 292 L C 2.155 179.001 176.870 -0.039 0.000 1.075 292 L CA 1.635 56.487 54.840 0.019 0.000 0.747 292 L CB -1.299 40.811 42.059 0.085 0.000 0.903 292 L HN 0.277 nan 8.230 nan 0.000 0.435 293 Y N 1.319 121.541 120.300 -0.131 0.000 2.034 293 Y HA -0.310 4.183 4.550 -0.095 0.000 0.269 293 Y C 2.782 178.525 175.900 -0.262 0.000 1.125 293 Y CA 1.806 59.846 58.100 -0.101 0.000 1.097 293 Y CB -0.458 37.931 38.460 -0.119 0.000 0.978 293 Y HN 0.186 nan 8.280 nan 0.000 0.480 294 Q N 0.415 119.871 119.800 -0.574 0.000 2.133 294 Q HA -0.231 4.047 4.340 -0.104 0.000 0.208 294 Q C 2.098 177.642 176.000 -0.759 0.000 0.991 294 Q CA 1.944 57.158 55.803 -0.981 0.000 0.867 294 Q CB -0.501 27.270 28.738 -1.612 0.000 0.911 294 Q HN 0.643 nan 8.270 nan 0.000 0.417 295 E N -0.003 119.881 120.200 -0.527 0.000 2.150 295 E HA -0.060 4.228 4.350 -0.104 0.000 0.193 295 E C 1.826 178.335 176.600 -0.152 0.000 0.985 295 E CA 0.889 57.172 56.400 -0.194 0.000 0.814 295 E CB 0.028 29.692 29.700 -0.061 0.000 0.752 295 E HN 0.325 nan 8.360 nan 0.000 0.466 296 A N 1.435 124.087 122.820 -0.281 0.000 1.854 296 A HA -0.179 4.079 4.320 -0.104 0.000 0.214 296 A C 2.208 179.661 177.584 -0.218 0.000 1.192 296 A CA 1.607 53.430 52.037 -0.358 0.000 0.611 296 A CB -0.517 18.026 19.000 -0.761 0.000 0.832 296 A HN 0.171 nan 8.150 nan 0.000 0.442 297 R N 0.271 120.574 120.500 -0.327 0.000 2.112 297 R HA -0.261 4.016 4.340 -0.104 0.000 0.242 297 R C 2.246 178.472 176.300 -0.123 0.000 1.137 297 R CA 2.456 58.282 56.100 -0.457 0.000 0.944 297 R CB -0.392 29.198 30.300 -1.183 0.000 0.857 297 R HN 0.530 nan 8.270 nan 0.000 0.435 298 K N 0.239 120.564 120.400 -0.125 0.000 2.009 298 K HA -0.159 4.099 4.320 -0.104 0.000 0.210 298 K C 2.112 178.890 176.600 0.297 0.000 1.049 298 K CA 2.114 58.461 56.287 0.101 0.000 0.929 298 K CB -0.190 32.401 32.500 0.152 0.000 0.714 298 K HN 0.324 nan 8.250 nan 0.000 0.440 299 I N 1.017 121.715 120.570 0.212 0.000 2.226 299 I HA -0.257 3.851 4.170 -0.104 0.000 0.245 299 I C 2.367 178.537 176.117 0.090 0.000 1.100 299 I CA 0.542 61.926 61.300 0.140 0.000 1.374 299 I CB -0.264 37.643 38.000 -0.155 0.000 1.057 299 I HN 0.264 nan 8.210 nan 0.000 0.413 300 L N 1.319 122.593 121.223 0.085 0.000 2.079 300 L HA -0.114 4.163 4.340 -0.104 0.000 0.210 300 L C 2.310 179.324 176.870 0.240 0.000 1.081 300 L CA 2.210 57.133 54.840 0.137 0.000 0.752 300 L CB -1.239 40.950 42.059 0.217 0.000 0.896 300 L HN 0.180 nan 8.230 nan 0.000 0.433 301 G N -1.254 107.690 108.800 0.240 0.000 2.404 301 G HA2 -0.223 3.675 3.960 -0.104 0.000 0.215 301 G HA3 -0.223 3.675 3.960 -0.104 0.000 0.215 301 G C 1.621 176.634 174.900 0.189 0.000 1.174 301 G CA 0.832 46.075 45.100 0.237 0.000 0.780 301 G HN 0.637 nan 8.290 nan 0.000 0.537 302 A N 0.702 123.633 122.820 0.186 0.000 1.883 302 A HA -0.033 4.225 4.320 -0.104 0.000 0.217 302 A C 2.174 179.664 177.584 -0.156 0.000 1.186 302 A CA 1.764 53.804 52.037 0.005 0.000 0.624 302 A CB -0.727 18.248 19.000 -0.041 0.000 0.822 302 A HN 0.478 nan 8.150 nan 0.000 0.444 303 F N 0.786 120.637 119.950 -0.165 0.000 2.063 303 F HA -0.265 4.134 4.527 -0.212 0.000 0.298 303 F C 1.988 177.774 175.800 -0.024 0.000 1.109 303 F CA 2.170 60.075 58.000 -0.159 0.000 1.212 303 F CB -0.287 38.642 39.000 -0.119 0.000 0.973 303 F HN 0.217 nan 8.300 nan 0.000 0.480 304 I N 0.116 120.794 120.570 0.180 0.000 2.226 304 I HA -0.329 3.779 4.170 -0.104 0.000 0.245 304 I C 2.363 178.609 176.117 0.215 0.000 1.100 304 I CA 1.624 63.081 61.300 0.261 0.000 1.374 304 I CB -0.653 37.554 38.000 0.345 0.000 1.057 304 I HN 0.347 nan 8.210 nan 0.000 0.413 305 Q N 0.491 120.352 119.800 0.101 0.000 2.079 305 Q HA -0.170 4.108 4.340 -0.104 0.000 0.200 305 Q C 2.285 178.347 176.000 0.103 0.000 0.974 305 Q CA 1.414 57.301 55.803 0.140 0.000 0.840 305 Q CB -0.127 28.428 28.738 -0.304 0.000 0.898 305 Q HN 0.471 nan 8.270 nan 0.000 0.430 306 I N 0.310 120.718 120.570 -0.271 0.000 2.163 306 I HA -0.259 3.849 4.170 -0.104 0.000 0.240 306 I C 2.043 178.098 176.117 -0.103 0.000 1.081 306 I CA 1.051 62.190 61.300 -0.269 0.000 1.353 306 I CB -0.175 37.442 38.000 -0.639 0.000 1.054 306 I HN 0.098 nan 8.210 nan 0.000 0.407 307 I N 0.200 120.585 120.570 -0.308 0.000 2.264 307 I HA -0.317 3.791 4.170 -0.104 0.000 0.248 307 I C 2.443 178.604 176.117 0.073 0.000 1.111 307 I CA 1.728 62.861 61.300 -0.279 0.000 1.382 307 I CB -0.573 36.988 38.000 -0.731 0.000 1.060 307 I HN 0.239 nan 8.210 nan 0.000 0.418 308 T N -0.334 114.427 114.554 0.346 0.000 2.732 308 T HA -0.099 4.189 4.350 -0.104 0.000 0.261 308 T C 1.631 176.544 174.700 0.356 0.000 1.040 308 T CA 1.456 63.890 62.100 0.556 0.000 1.145 308 T CB -0.322 68.929 68.868 0.637 0.000 0.866 308 T HN 0.123 nan 8.240 nan 0.000 0.427 309 F N 0.790 120.917 119.950 0.296 0.000 2.335 309 F HA 0.248 4.709 4.527 -0.109 0.000 0.296 309 F C 2.523 178.456 175.800 0.221 0.000 1.091 309 F CA 0.467 58.636 58.000 0.282 0.000 1.399 309 F CB -0.073 39.200 39.000 0.456 0.000 1.067 309 F HN -0.049 nan 8.300 nan 0.000 0.520 310 R N 0.127 120.836 120.500 0.347 0.000 2.087 310 R HA -0.041 4.237 4.340 -0.104 0.000 0.216 310 R C 1.331 177.728 176.300 0.160 0.000 1.114 310 R CA 1.464 57.700 56.100 0.227 0.000 1.002 310 R CB -0.120 30.278 30.300 0.162 0.000 0.903 310 R HN 0.095 nan 8.270 nan 0.000 0.445 311 D N -0.587 119.911 120.400 0.164 0.000 2.259 311 D HA -0.103 4.475 4.640 -0.104 0.000 0.216 311 D C 1.467 177.979 176.300 0.352 0.000 0.961 311 D CA 0.859 54.985 54.000 0.210 0.000 0.878 311 D CB -0.213 40.660 40.800 0.123 0.000 1.009 311 D HN 0.222 nan 8.370 nan 0.000 0.490 312 Y N 1.469 121.881 120.300 0.187 0.000 2.262 312 Y HA 0.113 4.600 4.550 -0.105 0.000 0.295 312 Y C 2.183 178.101 175.900 0.030 0.000 1.121 312 Y CA 0.777 58.926 58.100 0.083 0.000 1.144 312 Y CB -0.244 38.261 38.460 0.075 0.000 1.043 312 Y HN -0.215 nan 8.280 nan 0.000 0.528 313 L N 0.478 121.637 121.223 -0.107 0.000 2.083 313 L HA -0.114 4.164 4.340 -0.104 0.000 0.209 313 L C -0.737 176.016 176.870 -0.194 0.000 1.083 313 L CA 0.964 55.618 54.840 -0.309 0.000 0.752 313 L CB -1.674 40.113 42.059 -0.455 0.000 0.899 313 L HN 0.222 nan 8.230 nan 0.000 0.433 314 P HA -0.157 nan 4.420 nan 0.000 0.218 314 P C 1.691 178.941 177.300 -0.084 0.000 1.149 314 P CA 1.306 64.377 63.100 -0.047 0.000 0.817 314 P CB -0.078 31.626 31.700 0.007 0.000 0.785 315 I N -4.957 115.546 120.570 -0.112 0.000 3.578 315 I HA 0.010 4.118 4.170 -0.104 0.000 0.295 315 I C 1.343 177.360 176.117 -0.167 0.000 1.280 315 I CA 0.576 61.786 61.300 -0.149 0.000 1.347 315 I CB -0.452 37.441 38.000 -0.178 0.000 1.051 315 I HN -0.219 nan 8.210 nan 0.000 0.460 316 V N 0.921 120.708 119.914 -0.211 0.000 2.374 316 V HA -0.067 3.991 4.120 -0.104 0.000 0.241 316 V C 2.301 178.285 176.094 -0.184 0.000 1.034 316 V CA 1.088 63.264 62.300 -0.207 0.000 1.037 316 V CB -0.171 31.439 31.823 -0.355 0.000 0.682 316 V HN 0.290 nan 8.190 nan 0.000 0.463 317 L N 0.122 121.255 121.223 -0.150 0.000 2.179 317 L HA 0.319 4.597 4.340 -0.104 0.000 0.208 317 L C 1.779 178.628 176.870 -0.036 0.000 1.096 317 L CA 1.764 56.561 54.840 -0.073 0.000 0.779 317 L CB -1.444 40.603 42.059 -0.020 0.000 0.922 317 L HN 0.502 nan 8.230 nan 0.000 0.443 318 G N -0.218 108.553 108.800 -0.049 0.000 2.591 318 G HA2 -0.443 3.455 3.960 -0.104 0.000 0.298 318 G HA3 -0.443 3.455 3.960 -0.104 0.000 0.298 318 G C 1.124 176.022 174.900 -0.003 0.000 1.195 318 G CA 1.336 46.414 45.100 -0.037 0.000 0.989 318 G HN 0.499 nan 8.290 nan 0.000 0.551 319 S N 0.500 116.201 115.700 0.002 0.000 2.507 319 S HA 0.054 4.462 4.470 -0.104 0.000 0.235 319 S C 1.554 176.178 174.600 0.042 0.000 0.988 319 S CA 2.009 60.217 58.200 0.014 0.000 0.944 319 S CB -0.007 63.197 63.200 0.006 0.000 0.762 319 S HN 0.607 nan 8.310 nan 0.000 0.526 320 E N 0.274 120.523 120.200 0.082 0.000 2.472 320 E HA 0.169 4.457 4.350 -0.104 0.000 0.196 320 E C 1.458 178.190 176.600 0.220 0.000 1.033 320 E CA 0.105 56.610 56.400 0.175 0.000 0.886 320 E CB -0.269 29.609 29.700 0.296 0.000 0.944 320 E HN 0.565 nan 8.360 nan 0.000 0.492 321 M N 1.535 121.215 119.600 0.134 0.000 2.110 321 M HA -0.278 4.140 4.480 -0.104 0.000 0.257 321 M C 2.062 178.444 176.300 0.137 0.000 1.071 321 M CA 1.975 57.354 55.300 0.132 0.000 1.096 321 M CB -0.302 32.339 32.600 0.069 0.000 1.300 321 M HN -0.047 nan 8.290 nan 0.000 0.411 322 Q N -0.482 119.362 119.800 0.074 0.000 2.096 322 Q HA -0.235 4.043 4.340 -0.104 0.000 0.204 322 Q C 2.174 178.167 176.000 -0.011 0.000 0.982 322 Q CA 1.759 57.587 55.803 0.041 0.000 0.850 322 Q CB -0.403 28.342 28.738 0.011 0.000 0.901 322 Q HN 0.550 nan 8.270 nan 0.000 0.422 323 K N -0.837 119.516 120.400 -0.079 0.000 2.360 323 K HA -0.185 4.073 4.320 -0.104 0.000 0.201 323 K C 0.613 176.891 176.600 -0.537 0.000 1.046 323 K CA 1.154 57.245 56.287 -0.327 0.000 0.940 323 K CB 0.150 32.403 32.500 -0.412 0.000 0.748 323 K HN 0.305 nan 8.250 nan 0.000 0.465 324 W N -0.999 120.326 121.300 0.042 0.000 2.977 324 W HA 0.241 4.837 4.660 -0.106 0.000 0.236 324 W C -0.206 176.366 176.519 0.088 0.000 1.053 324 W CA -0.603 56.777 57.345 0.059 0.000 1.375 324 W CB 0.709 30.215 29.460 0.077 0.000 0.814 324 W HN -0.174 nan 8.180 nan 0.000 0.713 325 I N 1.979 122.733 120.570 0.306 0.000 2.620 325 I HA 0.301 4.409 4.170 -0.104 0.000 0.280 325 I C -2.432 173.801 176.117 0.194 0.000 1.143 325 I CA -2.742 58.719 61.300 0.269 0.000 1.163 325 I CB -0.310 37.874 38.000 0.307 0.000 1.461 325 I HN -0.418 nan 8.210 nan 0.000 0.530 326 P HA 0.156 nan 4.420 nan 0.000 0.270 326 P C -2.348 175.033 177.300 0.136 0.000 1.227 326 P CA -0.760 62.398 63.100 0.096 0.000 0.788 326 P CB -0.295 31.438 31.700 0.054 0.000 0.926 327 P HA -0.015 nan 4.420 nan 0.000 0.269 327 P C -0.754 176.653 177.300 0.178 0.000 1.217 327 P CA 0.064 63.262 63.100 0.163 0.000 0.783 327 P CB 0.077 31.851 31.700 0.124 0.000 0.898 328 Y N 1.857 122.188 120.300 0.052 0.000 2.496 328 Y HA 0.026 4.517 4.550 -0.098 0.000 0.334 328 Y C 0.992 176.886 175.900 -0.009 0.000 1.080 328 Y CA 0.518 58.616 58.100 -0.004 0.000 1.355 328 Y CB 0.247 38.709 38.460 0.003 0.000 1.193 328 Y HN 0.268 nan 8.280 nan 0.000 0.523 329 Q N 5.035 124.644 119.800 -0.318 0.000 2.186 329 Q HA 0.306 4.584 4.340 -0.104 0.000 0.241 329 Q C 0.535 176.207 176.000 -0.546 0.000 0.849 329 Q CA 0.423 56.018 55.803 -0.346 0.000 1.053 329 Q CB 0.265 28.898 28.738 -0.175 0.000 1.146 329 Q HN 1.014 nan 8.270 nan 0.000 0.475 330 G N 1.183 109.253 108.800 -1.216 0.000 2.746 330 G HA2 -0.305 3.593 3.960 -0.104 0.000 0.685 330 G HA3 -0.305 3.593 3.960 -0.104 0.000 0.685 330 G C -0.976 173.728 174.900 -0.326 0.000 1.350 330 G CA -0.824 43.756 45.100 -0.867 0.000 0.837 330 G HN 0.255 nan 8.290 nan 0.000 0.564 331 Y N 1.710 121.942 120.300 -0.114 0.000 2.632 331 Y HA 0.455 4.944 4.550 -0.101 0.000 0.329 331 Y C 0.458 176.342 175.900 -0.026 0.000 1.174 331 Y CA -0.267 57.847 58.100 0.023 0.000 1.469 331 Y CB 0.721 39.210 38.460 0.048 0.000 1.242 331 Y HN 0.757 nan 8.280 nan 0.000 0.540 332 N N 5.585 124.030 118.700 -0.424 0.000 2.483 332 N HA 0.089 4.767 4.740 -0.104 0.000 0.267 332 N C 0.200 175.272 175.510 -0.731 0.000 0.998 332 N CA -0.545 52.212 53.050 -0.489 0.000 0.918 332 N CB 0.430 38.789 38.487 -0.212 0.000 1.215 332 N HN 0.856 nan 8.380 nan 0.000 0.500 333 N N 1.791 120.013 118.700 -0.797 0.000 2.515 333 N HA -0.064 4.614 4.740 -0.104 0.000 0.185 333 N C 0.089 175.493 175.510 -0.176 0.000 1.109 333 N CA 0.234 52.973 53.050 -0.518 0.000 0.903 333 N CB 0.241 38.554 38.487 -0.289 0.000 0.969 333 N HN 0.219 nan 8.380 nan 0.000 0.450 334 S N 0.163 115.770 115.700 -0.156 0.000 2.528 334 S HA 0.147 4.555 4.470 -0.104 0.000 0.219 334 S C 0.597 175.181 174.600 -0.027 0.000 0.985 334 S CA -0.395 57.766 58.200 -0.064 0.000 0.914 334 S CB 0.275 63.437 63.200 -0.063 0.000 0.776 334 S HN 0.122 nan 8.310 nan 0.000 0.526 335 V N 3.095 122.988 119.914 -0.035 0.000 2.555 335 V HA 0.130 4.187 4.120 -0.104 0.000 0.286 335 V C 0.160 176.300 176.094 0.076 0.000 1.044 335 V CA -0.665 61.648 62.300 0.022 0.000 1.026 335 V CB 1.062 32.901 31.823 0.026 0.000 0.981 335 V HN 0.200 nan 8.190 nan 0.000 0.480 336 D N 7.558 128.011 120.400 0.088 0.000 2.338 336 D HA 0.167 4.745 4.640 -0.104 0.000 0.255 336 D C -1.504 174.861 176.300 0.109 0.000 1.237 336 D CA -1.902 52.167 54.000 0.115 0.000 0.883 336 D CB 1.439 42.324 40.800 0.142 0.000 1.087 336 D HN 0.309 nan 8.370 nan 0.000 0.485 337 P HA 0.110 nan 4.420 nan 0.000 0.261 337 P C 0.071 177.275 177.300 -0.160 0.000 1.352 337 P CA -0.193 62.896 63.100 -0.018 0.000 0.891 337 P CB 0.334 32.033 31.700 -0.000 0.000 1.383 338 R N 0.544 121.007 120.500 -0.062 0.000 2.490 338 R HA 0.262 4.540 4.340 -0.104 0.000 0.280 338 R C 0.577 176.808 176.300 -0.114 0.000 1.077 338 R CA -0.766 55.282 56.100 -0.086 0.000 1.065 338 R CB 0.478 30.779 30.300 0.003 0.000 1.003 338 R HN 0.009 nan 8.270 nan 0.000 0.470 339 I N 2.704 123.169 120.570 -0.174 0.000 2.683 339 I HA -0.080 4.028 4.170 -0.104 0.000 0.286 339 I C 1.162 177.126 176.117 -0.255 0.000 1.175 339 I CA 0.506 61.651 61.300 -0.258 0.000 1.429 339 I CB 0.365 38.275 38.000 -0.149 0.000 1.371 339 I HN 0.695 nan 8.210 nan 0.000 0.569 340 S N 5.316 120.723 115.700 -0.488 0.000 2.624 340 S HA 0.158 4.566 4.470 -0.104 0.000 0.263 340 S C 0.978 175.367 174.600 -0.351 0.000 1.287 340 S CA -0.557 57.241 58.200 -0.669 0.000 0.990 340 S CB 1.223 63.332 63.200 -1.819 0.000 0.950 340 S HN 0.643 nan 8.310 nan 0.000 0.561 341 N N 0.095 118.661 118.700 -0.223 0.000 2.300 341 N HA -0.076 4.602 4.740 -0.104 0.000 0.179 341 N C 1.533 177.017 175.510 -0.044 0.000 1.016 341 N CA 0.933 53.970 53.050 -0.021 0.000 0.876 341 N CB -0.600 37.980 38.487 0.155 0.000 0.979 341 N HN 0.498 nan 8.380 nan 0.000 0.432 342 V N 0.315 120.108 119.914 -0.202 0.000 2.548 342 V HA -0.104 3.953 4.120 -0.104 0.000 0.249 342 V C 1.927 177.862 176.094 -0.265 0.000 1.055 342 V CA 1.019 63.137 62.300 -0.303 0.000 1.065 342 V CB -0.740 30.483 31.823 -1.000 0.000 0.681 342 V HN 0.216 nan 8.190 nan 0.000 0.462 343 F N 2.010 121.660 119.950 -0.500 0.000 2.192 343 F HA -0.209 4.255 4.527 -0.106 0.000 0.301 343 F C 2.500 178.162 175.800 -0.230 0.000 1.079 343 F CA 2.249 60.031 58.000 -0.365 0.000 1.303 343 F CB -0.578 38.169 39.000 -0.421 0.000 1.024 343 F HN 0.396 nan 8.300 nan 0.000 0.494 344 T N -2.905 111.500 114.554 -0.248 0.000 3.118 344 T HA -0.077 4.211 4.350 -0.104 0.000 0.260 344 T C 1.610 175.922 174.700 -0.646 0.000 1.139 344 T CA 0.885 62.726 62.100 -0.432 0.000 1.085 344 T CB -0.910 67.709 68.868 -0.416 0.000 0.934 344 T HN 0.292 nan 8.240 nan 0.000 0.518 345 F N 1.185 121.034 119.950 -0.168 0.000 2.383 345 F HA 0.502 4.967 4.527 -0.102 0.000 0.287 345 F C 2.845 178.630 175.800 -0.025 0.000 1.069 345 F CA 0.066 58.015 58.000 -0.084 0.000 1.402 345 F CB -0.563 38.394 39.000 -0.073 0.000 1.116 345 F HN 0.171 nan 8.300 nan 0.000 0.549 346 A N 0.258 123.080 122.820 0.003 0.000 1.917 346 A HA -0.267 3.990 4.320 -0.104 0.000 0.219 346 A C 1.926 179.544 177.584 0.057 0.000 1.182 346 A CA 1.504 53.531 52.037 -0.016 0.000 0.633 346 A CB -1.230 17.694 19.000 -0.126 0.000 0.819 346 A HN 0.379 nan 8.150 nan 0.000 0.448 347 F N 0.516 120.205 119.950 -0.436 0.000 2.771 347 F HA 0.091 4.554 4.527 -0.107 0.000 0.299 347 F C 1.829 177.266 175.800 -0.604 0.000 1.177 347 F CA 0.159 57.825 58.000 -0.557 0.000 1.450 347 F CB -0.461 38.011 39.000 -0.881 0.000 1.114 347 F HN 0.196 nan 8.300 nan 0.000 0.587 348 R N -0.248 120.154 120.500 -0.163 0.000 2.325 348 R HA -0.081 4.197 4.340 -0.104 0.000 0.214 348 R C 1.784 177.986 176.300 -0.163 0.000 0.961 348 R CA 0.282 56.177 56.100 -0.342 0.000 1.086 348 R CB -0.650 29.620 30.300 -0.051 0.000 1.037 348 R HN 0.361 nan 8.270 nan 0.000 0.493 349 F N -1.649 118.316 119.950 0.024 0.000 2.365 349 F HA 0.110 4.574 4.527 -0.106 0.000 0.300 349 F C 1.840 177.658 175.800 0.031 0.000 1.090 349 F CA 0.631 58.641 58.000 0.018 0.000 1.408 349 F CB -0.911 38.094 39.000 0.008 0.000 1.060 349 F HN -0.144 nan 8.300 nan 0.000 0.534 350 G N -0.078 108.274 108.800 -0.747 0.000 2.479 350 G HA2 -0.254 3.643 3.960 -0.104 0.000 0.220 350 G HA3 -0.254 3.643 3.960 -0.104 0.000 0.220 350 G C 1.317 176.203 174.900 -0.023 0.000 1.115 350 G CA 1.058 45.885 45.100 -0.456 0.000 0.757 350 G HN 0.612 nan 8.290 nan 0.000 0.560 351 H N -0.159 118.932 119.070 0.034 0.000 2.421 351 H HA 0.039 4.533 4.556 -0.104 0.000 0.298 351 H C 2.334 177.780 175.328 0.197 0.000 1.087 351 H CA 0.892 57.028 56.048 0.146 0.000 1.330 351 H CB 0.013 29.946 29.762 0.284 0.000 1.388 351 H HN 0.348 nan 8.280 nan 0.000 0.526 352 M N 0.345 120.138 119.600 0.322 0.000 2.618 352 M HA -0.009 4.409 4.480 -0.104 0.000 0.240 352 M C 0.577 177.004 176.300 0.211 0.000 1.123 352 M CA 0.985 56.430 55.300 0.243 0.000 1.060 352 M CB 0.206 32.907 32.600 0.169 0.000 1.535 352 M HN 0.319 nan 8.290 nan 0.000 0.507 353 E N 0.359 120.686 120.200 0.210 0.000 2.498 353 E HA 0.134 4.422 4.350 -0.104 0.000 0.203 353 E C -0.101 176.601 176.600 0.169 0.000 1.013 353 E CA -0.123 56.395 56.400 0.197 0.000 0.927 353 E CB 0.934 30.757 29.700 0.204 0.000 1.012 353 E HN 0.187 nan 8.360 nan 0.000 0.482 354 V N 4.211 124.225 119.914 0.167 0.000 2.461 354 V HA 0.192 4.250 4.120 -0.104 0.000 0.275 354 V C -2.069 174.121 176.094 0.160 0.000 1.047 354 V CA -1.562 60.826 62.300 0.146 0.000 0.955 354 V CB 0.725 32.636 31.823 0.147 0.000 0.988 354 V HN 0.035 nan 8.190 nan 0.000 0.471 355 P HA 0.286 nan 4.420 nan 0.000 0.284 355 P C 0.575 177.945 177.300 0.117 0.000 1.287 355 P CA -0.659 62.525 63.100 0.139 0.000 0.824 355 P CB 1.116 32.887 31.700 0.118 0.000 1.180 356 S N -1.863 113.906 115.700 0.115 0.000 2.522 356 S HA 0.052 4.460 4.470 -0.104 0.000 0.227 356 S C 0.735 175.363 174.600 0.046 0.000 0.986 356 S CA 0.686 58.937 58.200 0.085 0.000 0.929 356 S CB -1.176 62.074 63.200 0.084 0.000 0.769 356 S HN 0.737 nan 8.310 nan 0.000 0.529 357 T N -1.768 112.809 114.554 0.038 0.000 2.896 357 T HA 0.737 5.025 4.350 -0.104 0.000 0.297 357 T C -1.066 173.634 174.700 0.000 0.000 1.108 357 T CA -0.786 61.317 62.100 0.006 0.000 1.004 357 T CB 1.834 70.713 68.868 0.019 0.000 1.159 357 T HN -0.005 nan 8.240 nan 0.000 0.499 358 V N 1.580 121.477 119.914 -0.029 0.000 2.656 358 V HA 0.723 4.781 4.120 -0.104 0.000 0.307 358 V C -0.268 175.809 176.094 -0.028 0.000 1.051 358 V CA -0.640 61.642 62.300 -0.030 0.000 0.893 358 V CB 2.213 33.995 31.823 -0.069 0.000 0.999 358 V HN 1.178 nan 8.190 nan 0.000 0.426 359 S N 3.720 119.413 115.700 -0.011 0.000 2.648 359 S HA 0.770 5.178 4.470 -0.104 0.000 0.305 359 S C -0.679 173.902 174.600 -0.032 0.000 1.094 359 S CA -0.959 57.238 58.200 -0.004 0.000 0.983 359 S CB 1.894 65.108 63.200 0.023 0.000 1.101 359 S HN 0.684 nan 8.310 nan 0.000 0.514 360 R N 0.706 121.195 120.500 -0.018 0.000 2.621 360 R HA 0.673 4.950 4.340 -0.104 0.000 0.292 360 R C -1.422 174.881 176.300 0.005 0.000 0.969 360 R CA -0.546 55.501 56.100 -0.088 0.000 0.887 360 R CB 1.266 31.468 30.300 -0.162 0.000 1.180 360 R HN 0.433 nan 8.270 nan 0.000 0.450 361 L N 2.186 123.352 121.223 -0.096 0.000 2.386 361 L HA 0.421 4.699 4.340 -0.104 0.000 0.271 361 L C -0.353 176.451 176.870 -0.110 0.000 0.993 361 L CA -1.167 53.625 54.840 -0.081 0.000 0.819 361 L CB 1.973 43.894 42.059 -0.228 0.000 1.294 361 L HN 0.694 nan 8.230 nan 0.000 0.414 362 D N 0.707 121.147 120.400 0.067 0.000 2.440 362 D HA 0.047 4.624 4.640 -0.104 0.000 0.269 362 D C 0.845 177.081 176.300 -0.106 0.000 1.249 362 D CA -0.478 53.609 54.000 0.144 0.000 1.055 362 D CB 0.536 41.473 40.800 0.229 0.000 1.104 362 D HN 0.534 nan 8.370 nan 0.000 0.561 363 E N -0.476 119.705 120.200 -0.032 0.000 2.401 363 E HA -0.200 4.088 4.350 -0.104 0.000 0.199 363 E C 0.213 176.782 176.600 -0.051 0.000 1.023 363 E CA 0.757 57.121 56.400 -0.060 0.000 0.859 363 E CB -0.942 28.767 29.700 0.015 0.000 0.780 363 E HN 0.555 nan 8.360 nan 0.000 0.523 364 N N -0.147 118.527 118.700 -0.043 0.000 2.251 364 N HA 0.075 4.753 4.740 -0.104 0.000 0.217 364 N C -0.910 174.559 175.510 -0.069 0.000 1.124 364 N CA -0.277 52.775 53.050 0.003 0.000 0.843 364 N CB -0.084 38.456 38.487 0.087 0.000 1.024 364 N HN 0.033 nan 8.380 nan 0.000 0.501 365 Y N 0.548 120.610 120.300 -0.397 0.000 3.078 365 Y HA -0.291 4.195 4.550 -0.106 0.000 0.202 365 Y C -0.080 175.738 175.900 -0.137 0.000 1.322 365 Y CA 0.379 58.263 58.100 -0.361 0.000 1.118 365 Y CB -1.298 36.727 38.460 -0.724 0.000 1.343 365 Y HN 0.284 nan 8.280 nan 0.000 0.499 366 Q N -0.220 119.578 119.800 -0.004 0.000 2.456 366 Q HA 0.432 4.710 4.340 -0.104 0.000 0.283 366 Q C -2.546 173.483 176.000 0.049 0.000 1.084 366 Q CA -2.252 53.575 55.803 0.040 0.000 0.801 366 Q CB 2.182 30.947 28.738 0.045 0.000 1.434 366 Q HN -0.155 nan 8.270 nan 0.000 0.419 367 P HA -0.116 nan 4.420 nan 0.000 0.257 367 P C -0.874 176.499 177.300 0.122 0.000 1.162 367 P CA 0.584 63.734 63.100 0.085 0.000 0.762 367 P CB 0.058 31.792 31.700 0.057 0.000 0.753 368 W N 5.936 127.213 121.300 -0.039 0.000 2.367 368 W HA 0.467 5.066 4.660 -0.101 0.000 0.329 368 W C 0.535 177.045 176.519 -0.016 0.000 1.066 368 W CA 1.026 58.351 57.345 -0.034 0.000 1.435 368 W CB 0.096 29.527 29.460 -0.047 0.000 1.296 368 W HN 0.819 nan 8.180 nan 0.000 0.401 369 G N 5.804 114.467 108.800 -0.229 0.000 2.757 369 G HA2 -0.260 3.637 3.960 -0.104 0.000 0.638 369 G HA3 -0.260 3.637 3.960 -0.104 0.000 0.638 369 G C -1.385 173.474 174.900 -0.067 0.000 1.344 369 G CA -0.493 44.453 45.100 -0.256 0.000 0.855 369 G HN 0.367 nan 8.290 nan 0.000 0.537 370 P HA 0.016 nan 4.420 nan 0.000 0.216 370 P C 0.652 177.963 177.300 0.019 0.000 1.153 370 P CA 1.552 64.641 63.100 -0.017 0.000 0.844 370 P CB 0.153 31.841 31.700 -0.020 0.000 0.787 371 E N -0.676 119.551 120.200 0.045 0.000 3.012 371 E HA 0.392 4.680 4.350 -0.104 0.000 0.228 371 E C 1.131 177.781 176.600 0.082 0.000 1.184 371 E CA -0.282 56.151 56.400 0.055 0.000 1.407 371 E CB -0.037 29.698 29.700 0.058 0.000 1.438 371 E HN 0.099 nan 8.360 nan 0.000 0.435 372 A N 1.059 123.935 122.820 0.093 0.000 1.969 372 A HA -0.139 4.119 4.320 -0.104 0.000 0.218 372 A C 1.155 178.783 177.584 0.074 0.000 1.169 372 A CA 0.848 52.967 52.037 0.137 0.000 0.635 372 A CB 0.001 19.089 19.000 0.146 0.000 0.810 372 A HN 0.387 nan 8.150 nan 0.000 0.445 373 E N -0.351 119.876 120.200 0.045 0.000 2.216 373 E HA 0.599 4.886 4.350 -0.104 0.000 0.279 373 E C -1.437 175.160 176.600 -0.005 0.000 0.997 373 E CA -0.453 55.958 56.400 0.019 0.000 0.817 373 E CB 0.601 30.316 29.700 0.025 0.000 1.096 373 E HN 0.355 nan 8.360 nan 0.000 0.393 374 L N 4.670 125.871 121.223 -0.037 0.000 2.434 374 L HA 0.454 4.732 4.340 -0.104 0.000 0.260 374 L C -2.454 174.355 176.870 -0.101 0.000 0.983 374 L CA -2.507 52.286 54.840 -0.078 0.000 0.820 374 L CB 2.445 44.431 42.059 -0.121 0.000 1.361 374 L HN 0.523 nan 8.230 nan 0.000 0.410 375 P HA 0.060 nan 4.420 nan 0.000 0.271 375 P C 0.761 177.917 177.300 -0.240 0.000 1.216 375 P CA -0.219 62.807 63.100 -0.123 0.000 0.771 375 P CB 0.846 32.476 31.700 -0.116 0.000 0.864 376 L N 3.942 125.062 121.223 -0.172 0.000 2.013 376 L HA -0.247 4.030 4.340 -0.104 0.000 0.212 376 L C 2.337 178.825 176.870 -0.636 0.000 1.073 376 L CA 2.071 56.735 54.840 -0.293 0.000 0.753 376 L CB -0.810 41.159 42.059 -0.149 0.000 0.890 376 L HN 0.663 nan 8.230 nan 0.000 0.432 377 H N -1.088 117.657 119.070 -0.542 0.000 2.518 377 H HA -0.140 4.354 4.556 -0.104 0.000 0.294 377 H C 1.557 176.574 175.328 -0.518 0.000 1.083 377 H CA 1.620 57.234 56.048 -0.723 0.000 1.264 377 H CB -0.795 28.938 29.762 -0.048 0.000 1.370 377 H HN 0.484 nan 8.280 nan 0.000 0.560 378 T N -1.379 112.693 114.554 -0.804 0.000 3.129 378 T HA 0.220 4.508 4.350 -0.104 0.000 0.251 378 T C 1.783 176.286 174.700 -0.328 0.000 1.117 378 T CA -0.083 61.703 62.100 -0.524 0.000 1.034 378 T CB -0.223 68.378 68.868 -0.446 0.000 0.968 378 T HN 0.314 nan 8.240 nan 0.000 0.526 379 L N -0.415 120.564 121.223 -0.407 0.000 2.693 379 L HA 0.438 4.716 4.340 -0.104 0.000 0.235 379 L C -0.196 176.591 176.870 -0.138 0.000 1.127 379 L CA -0.561 54.103 54.840 -0.294 0.000 0.914 379 L CB -0.066 41.818 42.059 -0.292 0.000 1.193 379 L HN 0.147 nan 8.230 nan 0.000 0.502 380 F N 0.747 120.708 119.950 0.019 0.000 2.590 380 F HA 0.056 4.520 4.527 -0.105 0.000 0.389 380 F C 0.755 176.586 175.800 0.053 0.000 1.049 380 F CA -0.465 57.544 58.000 0.015 0.000 1.199 380 F CB -0.757 38.390 39.000 0.245 0.000 1.058 380 F HN -0.031 nan 8.300 nan 0.000 0.556 381 F N 0.370 120.400 119.950 0.133 0.000 3.093 381 F HA -0.325 4.141 4.527 -0.102 0.000 0.287 381 F C 0.613 176.392 175.800 -0.035 0.000 0.882 381 F CA 0.255 58.265 58.000 0.017 0.000 1.063 381 F CB -1.500 37.482 39.000 -0.029 0.000 1.097 381 F HN 0.478 nan 8.300 nan 0.000 0.604 382 N N 0.782 119.481 118.700 -0.001 0.000 2.500 382 N HA 0.238 4.915 4.740 -0.104 0.000 0.236 382 N C 1.011 176.385 175.510 -0.225 0.000 1.022 382 N CA 0.683 53.642 53.050 -0.151 0.000 0.935 382 N CB 0.992 39.281 38.487 -0.330 0.000 1.147 382 N HN 0.288 nan 8.380 nan 0.000 0.512 383 T N -0.123 114.325 114.554 -0.177 0.000 3.040 383 T HA 0.000 4.288 4.350 -0.104 0.000 0.252 383 T C 1.920 176.532 174.700 -0.147 0.000 1.064 383 T CA -0.244 61.690 62.100 -0.276 0.000 1.110 383 T CB -0.290 68.284 68.868 -0.491 0.000 0.921 383 T HN 0.642 nan 8.240 nan 0.000 0.480 384 W N 2.583 123.817 121.300 -0.110 0.000 2.358 384 W HA 0.020 4.619 4.660 -0.102 0.000 0.303 384 W C 1.482 177.978 176.519 -0.039 0.000 1.208 384 W CA 0.263 57.568 57.345 -0.068 0.000 1.274 384 W CB -0.841 28.585 29.460 -0.056 0.000 1.138 384 W HN 0.061 nan 8.180 nan 0.000 0.515 385 R N 1.006 121.065 120.500 -0.734 0.000 2.341 385 R HA -0.055 4.223 4.340 -0.104 0.000 0.213 385 R C 1.924 178.081 176.300 -0.238 0.000 1.082 385 R CA 1.093 56.816 56.100 -0.628 0.000 1.017 385 R CB -0.368 29.411 30.300 -0.867 0.000 0.860 385 R HN 0.460 nan 8.270 nan 0.000 0.473 386 I N -0.515 119.963 120.570 -0.153 0.000 2.729 386 I HA -0.109 3.998 4.170 -0.104 0.000 0.256 386 I C 1.953 178.062 176.117 -0.013 0.000 1.115 386 I CA 0.348 61.609 61.300 -0.065 0.000 1.446 386 I CB -0.013 37.979 38.000 -0.014 0.000 1.176 386 I HN -0.049 nan 8.210 nan 0.000 0.446 387 I N 1.231 121.780 120.570 -0.034 0.000 2.406 387 I HA -0.158 3.950 4.170 -0.104 0.000 0.249 387 I C 1.630 177.814 176.117 0.113 0.000 1.122 387 I CA 1.621 62.903 61.300 -0.029 0.000 1.431 387 I CB -0.674 37.325 38.000 -0.002 0.000 1.087 387 I HN 0.227 nan 8.210 nan 0.000 0.424 388 K N -0.063 120.436 120.400 0.164 0.000 2.399 388 K HA 0.070 4.328 4.320 -0.104 0.000 0.204 388 K C -0.098 176.643 176.600 0.235 0.000 1.023 388 K CA 0.125 56.538 56.287 0.209 0.000 1.127 388 K CB 0.654 33.304 32.500 0.251 0.000 0.856 388 K HN -0.008 nan 8.250 nan 0.000 0.514 389 D N -0.326 120.186 120.400 0.187 0.000 2.914 389 D HA 0.156 4.733 4.640 -0.104 0.000 0.349 389 D C 0.375 176.731 176.300 0.092 0.000 1.540 389 D CA 0.311 54.446 54.000 0.225 0.000 0.778 389 D CB 0.659 41.565 40.800 0.177 0.000 1.213 389 D HN 0.225 nan 8.370 nan 0.000 0.451 390 G N -0.615 108.230 108.800 0.075 0.000 2.227 390 G HA2 0.250 4.148 3.960 -0.104 0.000 0.168 390 G HA3 0.250 4.148 3.960 -0.104 0.000 0.168 390 G C 0.888 175.736 174.900 -0.087 0.000 1.006 390 G CA 0.186 45.205 45.100 -0.134 0.000 0.684 390 G HN 1.061 nan 8.290 nan 0.000 0.489 391 G N -0.169 108.650 108.800 0.032 0.000 2.804 391 G HA2 -0.014 3.884 3.960 -0.104 0.000 0.230 391 G HA3 -0.014 3.884 3.960 -0.104 0.000 0.230 391 G C 1.059 175.978 174.900 0.032 0.000 1.386 391 G CA 0.404 45.587 45.100 0.138 0.000 0.875 391 G HN 1.750 nan 8.290 nan 0.000 0.557 392 I N -2.631 117.983 120.570 0.073 0.000 2.928 392 I HA 0.105 4.213 4.170 -0.104 0.000 0.266 392 I C 1.692 177.777 176.117 -0.053 0.000 1.234 392 I CA 1.815 63.119 61.300 0.005 0.000 1.483 392 I CB -0.270 37.749 38.000 0.032 0.000 1.097 392 I HN 0.377 nan 8.210 nan 0.000 0.455 393 D N 2.756 123.126 120.400 -0.049 0.000 2.126 393 D HA -0.141 4.436 4.640 -0.104 0.000 0.190 393 D C -0.369 175.835 176.300 -0.160 0.000 1.001 393 D CA 1.941 55.900 54.000 -0.070 0.000 0.841 393 D CB -1.663 39.126 40.800 -0.018 0.000 0.949 393 D HN 0.343 nan 8.370 nan 0.000 0.446 394 P HA -0.075 nan 4.420 nan 0.000 0.218 394 P C 1.517 178.657 177.300 -0.267 0.000 1.148 394 P CA 0.887 63.745 63.100 -0.404 0.000 0.822 394 P CB 0.008 31.194 31.700 -0.857 0.000 0.784 395 L N -1.690 119.411 121.223 -0.202 0.000 2.162 395 L HA -0.062 4.216 4.340 -0.104 0.000 0.205 395 L C 2.263 179.104 176.870 -0.048 0.000 1.086 395 L CA 0.786 55.556 54.840 -0.118 0.000 0.778 395 L CB -0.875 41.125 42.059 -0.099 0.000 0.928 395 L HN -0.191 nan 8.230 nan 0.000 0.446 396 V N -0.018 119.879 119.914 -0.028 0.000 2.594 396 V HA -0.244 3.814 4.120 -0.104 0.000 0.253 396 V C 2.518 178.649 176.094 0.062 0.000 1.069 396 V CA 1.604 63.929 62.300 0.042 0.000 1.082 396 V CB -0.764 31.100 31.823 0.068 0.000 0.680 396 V HN 0.426 nan 8.190 nan 0.000 0.469 397 R N 0.414 120.900 120.500 -0.023 0.000 2.090 397 R HA -0.003 4.274 4.340 -0.104 0.000 0.228 397 R C 2.560 178.902 176.300 0.070 0.000 1.110 397 R CA 1.189 57.277 56.100 -0.021 0.000 0.973 397 R CB -0.776 29.202 30.300 -0.537 0.000 0.869 397 R HN 0.555 nan 8.270 nan 0.000 0.440 398 G N 1.587 110.385 108.800 -0.004 0.000 2.442 398 G HA2 -0.244 3.654 3.960 -0.104 0.000 0.219 398 G HA3 -0.244 3.654 3.960 -0.104 0.000 0.219 398 G C 1.436 176.392 174.900 0.092 0.000 1.141 398 G CA 0.597 45.721 45.100 0.040 0.000 0.763 398 G HN 0.129 nan 8.290 nan 0.000 0.554 399 L N -0.303 120.972 121.223 0.087 0.000 2.093 399 L HA 0.021 4.299 4.340 -0.104 0.000 0.208 399 L C 2.831 179.781 176.870 0.134 0.000 1.085 399 L CA 0.513 55.412 54.840 0.098 0.000 0.755 399 L CB -0.268 41.835 42.059 0.074 0.000 0.904 399 L HN 0.201 nan 8.230 nan 0.000 0.435 400 L N -0.911 120.431 121.223 0.199 0.000 2.131 400 L HA -0.062 4.216 4.340 -0.104 0.000 0.206 400 L C 2.554 179.634 176.870 0.350 0.000 1.087 400 L CA 1.069 56.061 54.840 0.253 0.000 0.767 400 L CB -0.500 41.780 42.059 0.369 0.000 0.917 400 L HN 0.182 nan 8.230 nan 0.000 0.441 401 A N -1.534 121.522 122.820 0.394 0.000 2.115 401 A HA 0.120 4.378 4.320 -0.104 0.000 0.211 401 A C 1.105 178.820 177.584 0.219 0.000 1.169 401 A CA 0.200 52.451 52.037 0.357 0.000 0.787 401 A CB 0.187 19.419 19.000 0.386 0.000 0.858 401 A HN -0.005 nan 8.150 nan 0.000 0.474 402 K N 0.614 121.120 120.400 0.176 0.000 2.148 402 K HA 0.504 4.762 4.320 -0.104 0.000 0.239 402 K C -0.581 176.098 176.600 0.132 0.000 1.018 402 K CA -0.190 56.177 56.287 0.133 0.000 0.923 402 K CB 0.594 33.157 32.500 0.105 0.000 1.117 402 K HN 0.185 nan 8.250 nan 0.000 0.477 403 K N 0.161 120.631 120.400 0.116 0.000 2.185 403 K HA 0.368 4.626 4.320 -0.104 0.000 0.240 403 K C -0.048 176.632 176.600 0.133 0.000 0.983 403 K CA -0.569 55.790 56.287 0.120 0.000 0.873 403 K CB 1.581 34.140 32.500 0.099 0.000 1.118 403 K HN 0.344 nan 8.250 nan 0.000 0.441 404 S N 0.565 116.362 115.700 0.162 0.000 2.681 404 S HA 0.181 4.588 4.470 -0.104 0.000 0.270 404 S C -0.316 174.382 174.600 0.162 0.000 1.209 404 S CA -0.648 57.666 58.200 0.190 0.000 0.988 404 S CB 0.827 64.208 63.200 0.301 0.000 1.006 404 S HN 0.399 nan 8.310 nan 0.000 0.558 405 K N 0.633 121.133 120.400 0.166 0.000 2.154 405 K HA 0.358 4.616 4.320 -0.104 0.000 0.264 405 K C -0.965 175.724 176.600 0.148 0.000 1.008 405 K CA -0.539 55.835 56.287 0.144 0.000 0.937 405 K CB 0.396 32.989 32.500 0.155 0.000 1.002 405 K HN 0.327 nan 8.250 nan 0.000 0.469 406 L N 4.021 125.302 121.223 0.097 0.000 2.307 406 L HA 0.278 4.556 4.340 -0.104 0.000 0.282 406 L C -0.198 176.706 176.870 0.056 0.000 1.051 406 L CA -0.423 54.464 54.840 0.078 0.000 0.804 406 L CB 1.266 43.344 42.059 0.033 0.000 1.197 406 L HN 0.742 nan 8.230 nan 0.000 0.431 407 M N 4.583 124.224 119.600 0.068 0.000 2.252 407 M HA 0.160 4.577 4.480 -0.104 0.000 0.321 407 M C -0.560 175.729 176.300 -0.017 0.000 1.070 407 M CA 0.683 56.004 55.300 0.034 0.000 1.143 407 M CB -0.258 32.359 32.600 0.029 0.000 1.498 407 M HN 0.718 nan 8.290 nan 0.000 0.445 408 N N 2.295 120.964 118.700 -0.052 0.000 2.493 408 N HA 0.185 4.863 4.740 -0.104 0.000 0.279 408 N C -0.492 174.969 175.510 -0.082 0.000 1.082 408 N CA -0.233 52.769 53.050 -0.080 0.000 0.963 408 N CB 1.175 39.578 38.487 -0.140 0.000 1.627 408 N HN 0.689 nan 8.380 nan 0.000 0.499 409 Q N 0.359 120.119 119.800 -0.066 0.000 2.369 409 Q HA 0.037 4.314 4.340 -0.104 0.000 0.206 409 Q C -0.216 175.755 176.000 -0.049 0.000 0.963 409 Q CA 1.010 56.778 55.803 -0.059 0.000 0.894 409 Q CB 0.430 29.137 28.738 -0.052 0.000 0.965 409 Q HN 0.519 nan 8.270 nan 0.000 0.475 410 D N -0.139 120.225 120.400 -0.060 0.000 2.431 410 D HA 0.095 4.672 4.640 -0.104 0.000 0.213 410 D C -0.159 176.096 176.300 -0.076 0.000 1.130 410 D CA 0.276 54.252 54.000 -0.041 0.000 0.834 410 D CB 0.615 41.398 40.800 -0.028 0.000 0.985 410 D HN 0.058 nan 8.370 nan 0.000 0.504 411 K N 0.798 121.093 120.400 -0.175 0.000 3.157 411 K HA 0.312 4.570 4.320 -0.104 0.000 0.173 411 K C 0.774 177.206 176.600 -0.280 0.000 1.127 411 K CA -0.033 55.963 56.287 -0.484 0.000 0.849 411 K CB 1.185 33.091 32.500 -0.990 0.000 1.038 411 K HN -0.148 nan 8.250 nan 0.000 0.603 412 M N -0.050 119.565 119.600 0.025 0.000 2.073 412 M HA 0.008 4.426 4.480 -0.104 0.000 0.259 412 M C 0.649 177.089 176.300 0.233 0.000 1.079 412 M CA 1.264 56.616 55.300 0.087 0.000 1.131 412 M CB 0.234 32.876 32.600 0.070 0.000 1.316 412 M HN -0.024 nan 8.290 nan 0.000 0.415 413 V N 0.472 120.607 119.914 0.369 0.000 2.483 413 V HA 0.167 4.225 4.120 -0.104 0.000 0.297 413 V C -0.013 176.309 176.094 0.381 0.000 1.027 413 V CA -0.862 61.666 62.300 0.379 0.000 0.855 413 V CB 1.501 33.536 31.823 0.353 0.000 0.995 413 V HN 0.308 nan 8.190 nan 0.000 0.424 414 T N 3.059 117.833 114.554 0.366 0.000 2.933 414 T HA -0.030 4.258 4.350 -0.104 0.000 0.306 414 T C 1.466 176.166 174.700 0.001 0.000 1.045 414 T CA 0.685 62.838 62.100 0.088 0.000 1.143 414 T CB 0.618 69.588 68.868 0.169 0.000 1.003 414 T HN 0.813 nan 8.240 nan 0.000 0.540 415 S N 3.517 119.128 115.700 -0.149 0.000 2.465 415 S HA -0.092 4.316 4.470 -0.104 0.000 0.241 415 S C 1.910 176.522 174.600 0.020 0.000 1.000 415 S CA 0.745 58.901 58.200 -0.074 0.000 0.964 415 S CB -0.148 62.970 63.200 -0.136 0.000 0.763 415 S HN 0.713 nan 8.310 nan 0.000 0.512 416 E N 0.889 121.127 120.200 0.064 0.000 2.106 416 E HA -0.030 4.258 4.350 -0.104 0.000 0.192 416 E C 1.865 178.646 176.600 0.302 0.000 0.984 416 E CA 0.815 57.312 56.400 0.162 0.000 0.806 416 E CB -0.161 29.635 29.700 0.161 0.000 0.750 416 E HN 0.496 nan 8.360 nan 0.000 0.458 417 L N -0.408 120.956 121.223 0.235 0.000 2.316 417 L HA 0.121 4.398 4.340 -0.104 0.000 0.207 417 L C 2.611 179.550 176.870 0.115 0.000 1.070 417 L CA 0.227 55.190 54.840 0.204 0.000 0.820 417 L CB -0.098 42.035 42.059 0.123 0.000 0.992 417 L HN -0.077 nan 8.230 nan 0.000 0.466 418 R N -0.091 120.471 120.500 0.102 0.000 2.148 418 R HA -0.039 4.239 4.340 -0.104 0.000 0.223 418 R C 1.410 177.753 176.300 0.071 0.000 1.088 418 R CA 0.954 57.102 56.100 0.080 0.000 0.985 418 R CB 0.222 30.573 30.300 0.085 0.000 0.880 418 R HN 0.358 nan 8.270 nan 0.000 0.451 419 N N -0.921 117.823 118.700 0.074 0.000 2.360 419 N HA 0.056 4.734 4.740 -0.104 0.000 0.211 419 N C 0.092 175.659 175.510 0.095 0.000 1.147 419 N CA 0.404 53.488 53.050 0.056 0.000 0.866 419 N CB 0.853 39.342 38.487 0.004 0.000 1.206 419 N HN 0.006 nan 8.380 nan 0.000 0.478 420 K N 0.879 121.366 120.400 0.144 0.000 2.618 420 K HA 0.227 4.485 4.320 -0.104 0.000 0.207 420 K C -0.381 176.512 176.600 0.488 0.000 1.058 420 K CA -0.312 56.111 56.287 0.228 0.000 1.086 420 K CB 0.935 33.439 32.500 0.006 0.000 0.827 420 K HN -0.050 nan 8.250 nan 0.000 0.481 421 L N 1.085 122.506 121.223 0.331 0.000 2.380 421 L HA 0.303 4.581 4.340 -0.104 0.000 0.273 421 L C -0.575 176.344 176.870 0.082 0.000 1.138 421 L CA -0.214 54.673 54.840 0.078 0.000 0.832 421 L CB 0.283 42.277 42.059 -0.109 0.000 1.124 421 L HN 0.029 nan 8.230 nan 0.000 0.454 422 F N 4.756 124.546 119.950 -0.267 0.000 2.410 422 F HA 0.453 4.918 4.527 -0.104 0.000 0.349 422 F C -0.349 175.212 175.800 -0.399 0.000 1.117 422 F CA -0.295 57.518 58.000 -0.312 0.000 1.104 422 F CB 0.758 39.514 39.000 -0.406 0.000 1.122 422 F HN 0.441 nan 8.300 nan 0.000 0.483 423 Q N 7.875 126.963 119.800 -1.186 0.000 2.348 423 Q HA 0.332 4.610 4.340 -0.104 0.000 0.265 423 Q C -2.493 172.904 176.000 -1.006 0.000 0.998 423 Q CA -2.410 52.818 55.803 -0.959 0.000 0.831 423 Q CB 1.684 29.667 28.738 -1.259 0.000 1.251 423 Q HN 0.432 nan 8.270 nan 0.000 0.456 424 P HA -0.109 nan 4.420 nan 0.000 0.258 424 P C 0.339 177.271 177.300 -0.613 0.000 1.172 424 P CA 1.240 63.974 63.100 -0.611 0.000 0.762 424 P CB 0.260 31.698 31.700 -0.438 0.000 0.764 425 T N -0.018 114.122 114.554 -0.690 0.000 5.504 425 T HA -0.210 4.078 4.350 -0.104 0.000 0.268 425 T C 0.435 174.658 174.700 -0.796 0.000 2.211 425 T CA 0.765 62.468 62.100 -0.662 0.000 3.769 425 T CB -2.869 65.638 68.868 -0.602 0.000 0.563 425 T HN 0.636 nan 8.240 nan 0.000 1.119 426 H N 1.794 120.557 119.070 -0.512 0.000 2.785 426 H HA 0.270 4.764 4.556 -0.104 0.000 0.268 426 H C 1.121 176.293 175.328 -0.260 0.000 1.153 426 H CA 0.203 56.084 56.048 -0.277 0.000 1.111 426 H CB 0.536 30.212 29.762 -0.142 0.000 1.633 426 H HN 0.853 nan 8.280 nan 0.000 0.576 427 K N 1.845 122.021 120.400 -0.373 0.000 3.985 427 K HA -0.192 4.066 4.320 -0.104 0.000 0.274 427 K C -0.417 176.297 176.600 0.190 0.000 0.799 427 K CA 0.852 57.114 56.287 -0.041 0.000 0.661 427 K CB -2.376 30.256 32.500 0.220 0.000 1.778 427 K HN 0.555 nan 8.250 nan 0.000 0.429 428 I N -3.269 117.402 120.570 0.167 0.000 2.750 428 I HA 0.105 4.212 4.170 -0.104 0.000 0.283 428 I C -0.861 175.464 176.117 0.348 0.000 1.464 428 I CA -1.181 60.304 61.300 0.309 0.000 1.093 428 I CB 0.810 38.958 38.000 0.246 0.000 1.417 428 I HN 0.088 nan 8.210 nan 0.000 0.424 429 H N 5.101 124.445 119.070 0.457 0.000 4.163 429 H HA 0.405 4.898 4.556 -0.104 0.000 0.214 429 H C 1.028 176.538 175.328 0.303 0.000 1.465 429 H CA 1.162 57.488 56.048 0.463 0.000 1.517 429 H CB 0.096 30.154 29.762 0.494 0.000 1.790 429 H HN 0.862 nan 8.280 nan 0.000 0.743 430 G N 1.136 110.160 108.800 0.373 0.000 5.253 430 G HA2 0.115 4.013 3.960 -0.104 0.000 0.238 430 G HA3 0.115 4.013 3.960 -0.104 0.000 0.238 430 G C -0.566 174.457 174.900 0.206 0.000 0.867 430 G CA -0.270 44.979 45.100 0.248 0.000 0.717 430 G HN 0.170 nan 8.290 nan 0.000 0.405 431 F N 0.396 120.356 119.950 0.016 0.000 2.452 431 F HA 0.676 5.141 4.527 -0.103 0.000 0.353 431 F C -0.104 175.686 175.800 -0.016 0.000 1.089 431 F CA -1.218 56.765 58.000 -0.030 0.000 1.080 431 F CB 1.455 40.391 39.000 -0.107 0.000 1.399 431 F HN -0.062 nan 8.300 nan 0.000 0.492 432 D N 1.008 121.508 120.400 0.167 0.000 2.473 432 D HA 0.169 4.747 4.640 -0.104 0.000 0.253 432 D C 0.477 176.783 176.300 0.012 0.000 1.233 432 D CA -0.316 53.723 54.000 0.066 0.000 0.908 432 D CB 1.324 42.138 40.800 0.023 0.000 1.170 432 D HN 0.346 nan 8.370 nan 0.000 0.558 433 L N 4.553 125.757 121.223 -0.031 0.000 2.131 433 L HA 0.029 4.307 4.340 -0.104 0.000 0.210 433 L C 1.953 178.695 176.870 -0.215 0.000 1.092 433 L CA 2.299 57.054 54.840 -0.142 0.000 0.759 433 L CB -0.617 41.294 42.059 -0.246 0.000 0.903 433 L HN 0.503 nan 8.230 nan 0.000 0.435 434 A N -0.526 122.215 122.820 -0.132 0.000 1.855 434 A HA -0.070 4.188 4.320 -0.104 0.000 0.215 434 A C 2.478 179.913 177.584 -0.248 0.000 1.191 434 A CA 1.767 53.676 52.037 -0.212 0.000 0.613 434 A CB -1.234 17.863 19.000 0.162 0.000 0.829 434 A HN 0.523 nan 8.150 nan 0.000 0.442 435 A N -0.009 122.743 122.820 -0.114 0.000 1.917 435 A HA -0.157 4.101 4.320 -0.104 0.000 0.219 435 A C 2.130 179.588 177.584 -0.210 0.000 1.182 435 A CA 1.751 53.705 52.037 -0.139 0.000 0.633 435 A CB -0.686 18.232 19.000 -0.136 0.000 0.819 435 A HN 0.530 nan 8.150 nan 0.000 0.448 436 I N -0.418 120.057 120.570 -0.158 0.000 2.252 436 I HA -0.255 3.852 4.170 -0.104 0.000 0.245 436 I C 2.200 178.279 176.117 -0.063 0.000 1.102 436 I CA 1.496 62.764 61.300 -0.054 0.000 1.385 436 I CB -0.637 37.419 38.000 0.094 0.000 1.064 436 I HN 0.440 nan 8.210 nan 0.000 0.414 437 N N 0.893 119.435 118.700 -0.264 0.000 2.149 437 N HA -0.169 4.508 4.740 -0.104 0.000 0.188 437 N C 1.945 177.292 175.510 -0.272 0.000 1.019 437 N CA 1.005 53.830 53.050 -0.375 0.000 0.857 437 N CB -0.048 37.697 38.487 -1.237 0.000 0.997 437 N HN 0.289 nan 8.380 nan 0.000 0.426 438 L N 0.417 121.484 121.223 -0.260 0.000 2.072 438 L HA -0.159 4.119 4.340 -0.104 0.000 0.205 438 L C 2.596 179.396 176.870 -0.117 0.000 1.079 438 L CA 1.007 55.790 54.840 -0.094 0.000 0.752 438 L CB -0.333 41.728 42.059 0.004 0.000 0.906 438 L HN 0.178 nan 8.230 nan 0.000 0.436 439 Q N 0.164 119.815 119.800 -0.249 0.000 2.124 439 Q HA -0.234 4.044 4.340 -0.104 0.000 0.202 439 Q C 2.218 178.204 176.000 -0.024 0.000 0.977 439 Q CA 1.459 57.014 55.803 -0.413 0.000 0.850 439 Q CB -0.009 28.016 28.738 -1.187 0.000 0.901 439 Q HN 0.085 nan 8.270 nan 0.000 0.429 440 R N -0.701 119.909 120.500 0.183 0.000 2.096 440 R HA -0.083 4.195 4.340 -0.104 0.000 0.235 440 R C 2.136 178.536 176.300 0.168 0.000 1.127 440 R CA 1.664 58.062 56.100 0.496 0.000 0.968 440 R CB -1.013 29.618 30.300 0.552 0.000 0.861 440 R HN 0.421 nan 8.270 nan 0.000 0.440 441 C N -0.231 118.867 119.300 -0.337 0.000 2.413 441 C HA -0.098 4.300 4.460 -0.104 0.000 0.277 441 C C 2.550 177.461 174.990 -0.131 0.000 1.228 441 C CA 1.204 59.778 59.018 -0.740 0.000 1.731 441 C CB -0.838 26.593 27.740 -0.515 0.000 2.042 441 C HN 0.522 nan 8.230 nan 0.000 0.468 442 R N 0.480 121.031 120.500 0.085 0.000 2.081 442 R HA -0.143 4.134 4.340 -0.104 0.000 0.235 442 R C 1.921 178.424 176.300 0.338 0.000 1.131 442 R CA 1.860 58.111 56.100 0.253 0.000 0.960 442 R CB -0.573 29.941 30.300 0.355 0.000 0.856 442 R HN 0.547 nan 8.270 nan 0.000 0.436 443 D N 0.288 120.979 120.400 0.484 0.000 2.158 443 D HA -0.191 4.386 4.640 -0.104 0.000 0.197 443 D C 1.002 177.594 176.300 0.486 0.000 0.995 443 D CA 1.372 55.694 54.000 0.537 0.000 0.846 443 D CB -0.064 41.204 40.800 0.780 0.000 0.941 443 D HN 0.430 nan 8.370 nan 0.000 0.456 444 H N -1.366 117.875 119.070 0.286 0.000 2.538 444 H HA 0.291 4.785 4.556 -0.104 0.000 0.286 444 H C 1.060 176.391 175.328 0.006 0.000 1.035 444 H CA 0.059 56.260 56.048 0.255 0.000 1.169 444 H CB 0.146 30.144 29.762 0.394 0.000 1.417 444 H HN 0.243 nan 8.280 nan 0.000 0.567 445 G N 1.901 110.608 108.800 -0.156 0.000 2.341 445 G HA2 -0.306 3.592 3.960 -0.104 0.000 0.292 445 G HA3 -0.306 3.592 3.960 -0.104 0.000 0.292 445 G C 0.366 175.150 174.900 -0.194 0.000 1.021 445 G CA -0.073 44.619 45.100 -0.680 0.000 0.905 445 G HN 0.192 nan 8.290 nan 0.000 0.508 446 M N 0.109 119.715 119.600 0.011 0.000 2.248 446 M HA 0.192 4.610 4.480 -0.104 0.000 0.345 446 M C -1.545 174.857 176.300 0.171 0.000 1.243 446 M CA -2.157 53.225 55.300 0.136 0.000 1.090 446 M CB -0.048 32.568 32.600 0.028 0.000 1.683 446 M HN -0.010 nan 8.290 nan 0.000 0.450 447 P HA 0.140 nan 4.420 nan 0.000 0.270 447 P C 0.208 177.628 177.300 0.201 0.000 1.223 447 P CA -0.151 62.986 63.100 0.062 0.000 0.785 447 P CB 0.407 31.887 31.700 -0.367 0.000 0.923 448 G N -0.060 108.768 108.800 0.047 0.000 2.621 448 G HA2 0.009 3.907 3.960 -0.104 0.000 0.271 448 G HA3 0.009 3.907 3.960 -0.104 0.000 0.271 448 G C 0.274 175.308 174.900 0.223 0.000 1.236 448 G CA -0.195 44.970 45.100 0.108 0.000 0.958 448 G HN 0.472 nan 8.290 nan 0.000 0.512 449 Y N 0.262 120.606 120.300 0.074 0.000 2.128 449 Y HA -0.216 4.271 4.550 -0.104 0.000 0.284 449 Y C 2.639 178.602 175.900 0.105 0.000 1.154 449 Y CA 2.519 60.679 58.100 0.100 0.000 1.149 449 Y CB -0.092 38.350 38.460 -0.030 0.000 0.976 449 Y HN 0.415 nan 8.280 nan 0.000 0.505 450 N N -0.207 118.438 118.700 -0.092 0.000 2.188 450 N HA -0.156 4.522 4.740 -0.104 0.000 0.184 450 N C 2.007 177.435 175.510 -0.137 0.000 1.018 450 N CA 1.474 54.420 53.050 -0.174 0.000 0.858 450 N CB -0.535 37.912 38.487 -0.066 0.000 0.989 450 N HN 0.343 nan 8.380 nan 0.000 0.426 451 S N 0.118 115.726 115.700 -0.153 0.000 2.365 451 S HA -0.150 4.258 4.470 -0.104 0.000 0.225 451 S C 1.687 176.109 174.600 -0.296 0.000 1.039 451 S CA 1.142 59.176 58.200 -0.276 0.000 1.033 451 S CB -0.430 62.507 63.200 -0.438 0.000 0.887 451 S HN 0.514 nan 8.310 nan 0.000 0.447 452 W N 1.628 122.905 121.300 -0.037 0.000 2.436 452 W HA 0.091 4.689 4.660 -0.102 0.000 0.284 452 W C 2.561 179.084 176.519 0.006 0.000 1.225 452 W CA -0.147 57.201 57.345 0.004 0.000 1.271 452 W CB -0.135 29.312 29.460 -0.022 0.000 1.114 452 W HN 0.073 nan 8.180 nan 0.000 0.559 453 R N 0.182 120.676 120.500 -0.010 0.000 2.070 453 R HA -0.089 4.188 4.340 -0.104 0.000 0.233 453 R C 2.382 178.697 176.300 0.025 0.000 1.137 453 R CA 1.656 57.705 56.100 -0.084 0.000 0.945 453 R CB -1.631 28.504 30.300 -0.276 0.000 0.845 453 R HN 0.351 nan 8.270 nan 0.000 0.430 454 G N 0.338 109.144 108.800 0.010 0.000 2.440 454 G HA2 -0.299 3.598 3.960 -0.104 0.000 0.218 454 G HA3 -0.299 3.598 3.960 -0.104 0.000 0.218 454 G C 1.413 176.364 174.900 0.085 0.000 1.154 454 G CA 0.538 45.653 45.100 0.026 0.000 0.767 454 G HN 0.328 nan 8.290 nan 0.000 0.552 455 F N 0.884 120.824 119.950 -0.016 0.000 2.202 455 F HA -0.090 4.374 4.527 -0.105 0.000 0.301 455 F C 2.089 177.948 175.800 0.099 0.000 1.082 455 F CA 1.074 59.093 58.000 0.032 0.000 1.313 455 F CB -0.077 38.963 39.000 0.067 0.000 1.024 455 F HN 0.147 nan 8.300 nan 0.000 0.495 456 c N 0.975 119.721 118.600 0.244 0.000 2.625 456 c HA 0.385 4.893 4.570 -0.104 0.000 0.285 456 c C 1.798 175.960 174.090 0.121 0.000 1.279 456 c CA 0.577 57.013 56.329 0.178 0.000 1.698 456 c CB -1.501 41.157 42.510 0.246 0.000 1.821 456 c HN 0.865 nan 8.230 nan 0.000 0.600 457 G N 1.065 109.894 108.800 0.048 0.000 2.179 457 G HA2 -0.254 3.643 3.960 -0.104 0.000 0.257 457 G HA3 -0.254 3.643 3.960 -0.104 0.000 0.257 457 G C -0.048 174.874 174.900 0.038 0.000 1.010 457 G CA 0.376 45.491 45.100 0.025 0.000 0.736 457 G HN 0.544 nan 8.290 nan 0.000 0.513 458 L N 0.439 121.690 121.223 0.046 0.000 2.331 458 L HA 0.690 4.968 4.340 -0.104 0.000 0.268 458 L C 1.364 178.238 176.870 0.006 0.000 1.015 458 L CA -0.525 54.335 54.840 0.034 0.000 0.807 458 L CB 1.543 43.628 42.059 0.043 0.000 1.293 458 L HN 0.321 nan 8.230 nan 0.000 0.451 459 S N -0.127 115.575 115.700 0.003 0.000 2.600 459 S HA 0.258 4.666 4.470 -0.104 0.000 0.265 459 S C -0.449 174.137 174.600 -0.024 0.000 1.325 459 S CA -0.697 57.501 58.200 -0.004 0.000 1.002 459 S CB 0.796 64.002 63.200 0.009 0.000 0.921 459 S HN 0.578 nan 8.310 nan 0.000 0.554 460 Q N 1.309 121.098 119.800 -0.018 0.000 2.558 460 Q HA 0.370 4.648 4.340 -0.104 0.000 0.252 460 Q C -2.693 173.314 176.000 0.012 0.000 1.015 460 Q CA -1.870 53.917 55.803 -0.027 0.000 0.720 460 Q CB 1.426 30.145 28.738 -0.033 0.000 1.215 460 Q HN 0.501 nan 8.270 nan 0.000 0.500 461 P HA 0.037 nan 4.420 nan 0.000 0.271 461 P C 0.067 177.397 177.300 0.049 0.000 1.218 461 P CA -0.233 62.900 63.100 0.055 0.000 0.780 461 P CB 1.072 32.824 31.700 0.087 0.000 0.901 462 K N -0.421 119.999 120.400 0.033 0.000 2.474 462 K HA 0.139 4.397 4.320 -0.104 0.000 0.202 462 K C 0.804 177.415 176.600 0.019 0.000 1.248 462 K CA 0.788 57.091 56.287 0.027 0.000 0.946 462 K CB -0.140 32.374 32.500 0.024 0.000 1.102 462 K HN 0.589 nan 8.250 nan 0.000 0.541 463 T N -1.433 113.132 114.554 0.018 0.000 2.952 463 T HA 0.350 4.638 4.350 -0.104 0.000 0.286 463 T C 1.419 176.124 174.700 0.007 0.000 1.024 463 T CA -0.790 61.318 62.100 0.012 0.000 1.029 463 T CB 1.480 70.356 68.868 0.014 0.000 1.094 463 T HN -0.071 nan 8.240 nan 0.000 0.515 464 L N 0.434 121.657 121.223 0.001 0.000 1.978 464 L HA -0.167 4.111 4.340 -0.104 0.000 0.218 464 L C 2.751 179.623 176.870 0.002 0.000 1.075 464 L CA 1.770 56.609 54.840 -0.003 0.000 0.767 464 L CB -0.379 41.678 42.059 -0.003 0.000 0.890 464 L HN 0.710 nan 8.230 nan 0.000 0.434 465 K N -0.019 120.385 120.400 0.006 0.000 2.103 465 K HA -0.167 4.091 4.320 -0.104 0.000 0.207 465 K C 1.872 178.478 176.600 0.011 0.000 1.048 465 K CA 1.459 57.751 56.287 0.007 0.000 0.930 465 K CB -0.692 31.812 32.500 0.008 0.000 0.716 465 K HN 0.587 nan 8.250 nan 0.000 0.444 466 G N 1.125 109.934 108.800 0.015 0.000 2.421 466 G HA2 -0.243 3.655 3.960 -0.104 0.000 0.216 466 G HA3 -0.243 3.655 3.960 -0.104 0.000 0.216 466 G C 1.527 176.445 174.900 0.029 0.000 1.171 466 G CA 0.609 45.723 45.100 0.022 0.000 0.775 466 G HN 0.288 nan 8.290 nan 0.000 0.543 467 L N 0.503 121.741 121.223 0.025 0.000 2.141 467 L HA 0.007 4.285 4.340 -0.104 0.000 0.209 467 L C 2.975 179.852 176.870 0.010 0.000 1.094 467 L CA 1.630 56.484 54.840 0.025 0.000 0.763 467 L CB -0.526 41.533 42.059 0.000 0.000 0.908 467 L HN 0.327 nan 8.230 nan 0.000 0.437 468 Q N -1.279 118.523 119.800 0.004 0.000 2.030 468 Q HA -0.220 4.058 4.340 -0.104 0.000 0.204 468 Q C 1.998 178.001 176.000 0.005 0.000 0.986 468 Q CA 2.340 58.143 55.803 -0.000 0.000 0.843 468 Q CB -0.631 28.107 28.738 -0.000 0.000 0.904 468 Q HN 0.505 nan 8.270 nan 0.000 0.420 469 T N 1.110 115.671 114.554 0.011 0.000 2.635 469 T HA -0.157 4.131 4.350 -0.104 0.000 0.267 469 T C 2.107 176.819 174.700 0.020 0.000 1.040 469 T CA 1.592 63.700 62.100 0.014 0.000 1.156 469 T CB -0.413 68.465 68.868 0.016 0.000 0.863 469 T HN 0.050 nan 8.240 nan 0.000 0.430 470 V N 1.199 121.132 119.914 0.033 0.000 2.295 470 V HA -0.109 3.948 4.120 -0.104 0.000 0.246 470 V C 2.378 178.494 176.094 0.037 0.000 1.049 470 V CA 1.362 63.693 62.300 0.051 0.000 1.024 470 V CB -0.587 31.293 31.823 0.096 0.000 0.648 470 V HN 0.329 nan 8.190 nan 0.000 0.447 471 L N -0.540 120.692 121.223 0.015 0.000 2.376 471 L HA 0.049 4.327 4.340 -0.104 0.000 0.219 471 L C 1.353 178.216 176.870 -0.011 0.000 1.133 471 L CA 0.945 55.778 54.840 -0.012 0.000 0.816 471 L CB -1.342 40.692 42.059 -0.041 0.000 0.933 471 L HN 0.423 nan 8.230 nan 0.000 0.449 472 K N 0.760 121.158 120.400 -0.003 0.000 3.096 472 K HA -0.227 4.031 4.320 -0.104 0.000 0.266 472 K C 0.037 176.630 176.600 -0.011 0.000 1.043 472 K CA 0.537 56.821 56.287 -0.004 0.000 0.758 472 K CB -1.450 31.047 32.500 -0.004 0.000 1.260 472 K HN 0.371 nan 8.250 nan 0.000 0.481 473 N N 0.366 119.058 118.700 -0.013 0.000 2.616 473 N HA 0.124 4.802 4.740 -0.104 0.000 0.281 473 N C 0.247 175.748 175.510 -0.015 0.000 1.145 473 N CA -0.546 52.494 53.050 -0.016 0.000 0.919 473 N CB 1.159 39.631 38.487 -0.024 0.000 1.509 473 N HN -0.043 nan 8.380 nan 0.000 0.537 474 K N 2.431 122.825 120.400 -0.010 0.000 1.985 474 K HA 0.028 4.286 4.320 -0.104 0.000 0.210 474 K C 1.630 178.225 176.600 -0.009 0.000 1.047 474 K CA 1.166 57.448 56.287 -0.008 0.000 0.932 474 K CB 0.197 32.694 32.500 -0.004 0.000 0.716 474 K HN 0.548 nan 8.250 nan 0.000 0.439 475 I N 1.094 121.660 120.570 -0.008 0.000 2.142 475 I HA -0.281 3.827 4.170 -0.104 0.000 0.240 475 I C 2.518 178.630 176.117 -0.009 0.000 1.078 475 I CA 0.844 62.141 61.300 -0.006 0.000 1.343 475 I CB -0.426 37.572 38.000 -0.003 0.000 1.046 475 I HN 0.146 nan 8.210 nan 0.000 0.405 476 L N 1.669 122.883 121.223 -0.015 0.000 2.079 476 L HA -0.169 4.109 4.340 -0.104 0.000 0.210 476 L C 2.509 179.362 176.870 -0.028 0.000 1.081 476 L CA 2.129 56.956 54.840 -0.022 0.000 0.752 476 L CB -0.733 41.304 42.059 -0.037 0.000 0.896 476 L HN 0.185 nan 8.230 nan 0.000 0.433 477 A N -1.034 121.769 122.820 -0.029 0.000 2.015 477 A HA -0.161 4.097 4.320 -0.104 0.000 0.219 477 A C 2.273 179.846 177.584 -0.018 0.000 1.163 477 A CA 1.597 53.615 52.037 -0.031 0.000 0.646 477 A CB -0.393 18.591 19.000 -0.026 0.000 0.806 477 A HN 0.544 nan 8.150 nan 0.000 0.448 478 K N 0.096 120.489 120.400 -0.010 0.000 2.021 478 K HA -0.063 4.195 4.320 -0.104 0.000 0.205 478 K C 1.946 178.545 176.600 -0.001 0.000 1.047 478 K CA 1.320 57.603 56.287 -0.006 0.000 0.943 478 K CB -0.195 32.303 32.500 -0.003 0.000 0.725 478 K HN 0.373 nan 8.250 nan 0.000 0.439 479 K N 0.939 121.341 120.400 0.002 0.000 2.001 479 K HA -0.233 4.025 4.320 -0.104 0.000 0.223 479 K C 2.043 178.660 176.600 0.027 0.000 1.055 479 K CA 1.571 57.864 56.287 0.011 0.000 0.965 479 K CB -0.553 31.956 32.500 0.015 0.000 0.730 479 K HN -0.037 nan 8.250 nan 0.000 0.449 480 L N 1.042 122.284 121.223 0.032 0.000 2.054 480 L HA -0.255 4.023 4.340 -0.104 0.000 0.220 480 L C 2.381 179.304 176.870 0.089 0.000 1.081 480 L CA 1.852 56.734 54.840 0.070 0.000 0.780 480 L CB -0.529 41.514 42.059 -0.026 0.000 0.893 480 L HN 0.357 nan 8.230 nan 0.000 0.438 481 M N -1.877 117.735 119.600 0.019 0.000 2.349 481 M HA -0.101 4.317 4.480 -0.104 0.000 0.266 481 M C 1.506 177.791 176.300 -0.025 0.000 1.076 481 M CA 0.996 56.290 55.300 -0.009 0.000 1.126 481 M CB -0.838 31.747 32.600 -0.026 0.000 1.392 481 M HN 0.198 nan 8.290 nan 0.000 0.440 482 D N 0.156 120.548 120.400 -0.013 0.000 2.323 482 D HA 0.057 4.635 4.640 -0.104 0.000 0.209 482 D C 2.068 178.342 176.300 -0.044 0.000 0.973 482 D CA 0.637 54.622 54.000 -0.025 0.000 0.874 482 D CB 0.329 41.120 40.800 -0.014 0.000 0.930 482 D HN 0.292 nan 8.370 nan 0.000 0.521 483 L N -1.107 120.091 121.223 -0.042 0.000 2.130 483 L HA -0.042 4.236 4.340 -0.104 0.000 0.200 483 L C 1.743 178.470 176.870 -0.237 0.000 1.075 483 L CA 0.633 55.384 54.840 -0.149 0.000 0.768 483 L CB -0.091 41.862 42.059 -0.177 0.000 0.933 483 L HN -0.008 nan 8.230 nan 0.000 0.451 484 Y N -0.922 119.317 120.300 -0.101 0.000 2.503 484 Y HA 0.015 4.502 4.550 -0.104 0.000 0.278 484 Y C 1.094 176.824 175.900 -0.284 0.000 1.111 484 Y CA -0.134 57.885 58.100 -0.136 0.000 1.270 484 Y CB 0.421 38.814 38.460 -0.112 0.000 1.063 484 Y HN -0.025 nan 8.280 nan 0.000 0.548 485 K N -0.254 120.016 120.400 -0.217 0.000 3.553 485 K HA -0.196 4.062 4.320 -0.104 0.000 0.303 485 K C -0.014 176.209 176.600 -0.628 0.000 1.327 485 K CA 1.291 57.225 56.287 -0.589 0.000 0.983 485 K CB -1.846 29.866 32.500 -1.313 0.000 1.275 485 K HN 0.410 nan 8.250 nan 0.000 0.453 486 T N -2.296 112.069 114.554 -0.315 0.000 2.983 486 T HA 0.342 4.630 4.350 -0.104 0.000 0.357 486 T C -2.657 171.994 174.700 -0.080 0.000 1.830 486 T CA -0.516 61.474 62.100 -0.183 0.000 1.080 486 T CB 1.470 70.231 68.868 -0.179 0.000 1.675 486 T HN -0.303 nan 8.240 nan 0.000 0.497 487 P HA -0.006 nan 4.420 nan 0.000 0.218 487 P C 0.918 178.251 177.300 0.056 0.000 1.148 487 P CA 0.955 64.078 63.100 0.038 0.000 0.822 487 P CB 0.136 31.892 31.700 0.094 0.000 0.784 488 D N -1.165 119.245 120.400 0.017 0.000 2.178 488 D HA -0.123 4.455 4.640 -0.104 0.000 0.201 488 D C 1.341 177.632 176.300 -0.016 0.000 0.980 488 D CA 1.174 55.180 54.000 0.009 0.000 0.842 488 D CB -0.593 40.214 40.800 0.010 0.000 0.948 488 D HN 0.126 nan 8.370 nan 0.000 0.472 489 N N -0.416 118.263 118.700 -0.035 0.000 2.280 489 N HA 0.142 4.820 4.740 -0.104 0.000 0.192 489 N C 0.019 175.471 175.510 -0.097 0.000 1.109 489 N CA -0.101 52.934 53.050 -0.025 0.000 0.855 489 N CB 0.521 39.041 38.487 0.055 0.000 0.974 489 N HN 0.172 nan 8.380 nan 0.000 0.482 490 I N 1.887 122.249 120.570 -0.348 0.000 2.587 490 I HA -0.055 4.052 4.170 -0.104 0.000 0.284 490 I C 0.088 175.924 176.117 -0.468 0.000 1.134 490 I CA -0.047 60.675 61.300 -0.964 0.000 1.410 490 I CB 0.287 37.829 38.000 -0.764 0.000 1.392 490 I HN -0.033 nan 8.210 nan 0.000 0.545 491 D N 6.196 126.352 120.400 -0.406 0.000 2.525 491 D HA -0.097 4.481 4.640 -0.104 0.000 0.235 491 D C 1.200 177.492 176.300 -0.012 0.000 1.137 491 D CA 0.051 54.027 54.000 -0.040 0.000 0.868 491 D CB 1.339 42.211 40.800 0.120 0.000 1.180 491 D HN 0.434 nan 8.370 nan 0.000 0.465 492 I N 2.859 123.466 120.570 0.062 0.000 2.194 492 I HA -0.232 3.876 4.170 -0.104 0.000 0.246 492 I C 1.879 178.040 176.117 0.073 0.000 1.093 492 I CA 1.193 62.545 61.300 0.087 0.000 1.355 492 I CB -0.404 37.588 38.000 -0.013 0.000 1.046 492 I HN 0.651 nan 8.210 nan 0.000 0.413 493 W N 0.694 121.951 121.300 -0.073 0.000 2.335 493 W HA -0.230 4.367 4.660 -0.105 0.000 0.311 493 W C 2.368 178.890 176.519 0.006 0.000 1.213 493 W CA 2.004 59.344 57.345 -0.008 0.000 1.274 493 W CB -0.352 29.119 29.460 0.018 0.000 1.148 493 W HN 0.170 nan 8.180 nan 0.000 0.498 494 I N 0.197 120.731 120.570 -0.060 0.000 2.703 494 I HA 0.034 4.142 4.170 -0.104 0.000 0.259 494 I C 2.169 178.091 176.117 -0.325 0.000 1.151 494 I CA 1.502 62.610 61.300 -0.321 0.000 1.470 494 I CB -1.119 36.884 38.000 0.004 0.000 1.112 494 I HN 0.141 nan 8.210 nan 0.000 0.437 495 G N 0.157 108.772 108.800 -0.309 0.000 2.421 495 G HA2 -0.168 3.730 3.960 -0.104 0.000 0.217 495 G HA3 -0.168 3.730 3.960 -0.104 0.000 0.217 495 G C 1.563 176.284 174.900 -0.298 0.000 1.143 495 G CA 0.660 45.422 45.100 -0.564 0.000 0.784 495 G HN 0.493 nan 8.290 nan 0.000 0.541 496 G N 0.365 109.121 108.800 -0.073 0.000 2.448 496 G HA2 -0.132 3.766 3.960 -0.104 0.000 0.218 496 G HA3 -0.132 3.766 3.960 -0.104 0.000 0.218 496 G C 1.592 176.428 174.900 -0.106 0.000 1.135 496 G CA 0.542 45.648 45.100 0.011 0.000 0.784 496 G HN 0.389 nan 8.290 nan 0.000 0.543 497 N N 0.600 119.148 118.700 -0.253 0.000 2.392 497 N HA 0.077 4.755 4.740 -0.104 0.000 0.177 497 N C 2.311 177.696 175.510 -0.209 0.000 1.066 497 N CA 0.693 53.582 53.050 -0.268 0.000 0.895 497 N CB 0.243 38.434 38.487 -0.495 0.000 0.988 497 N HN 0.286 nan 8.380 nan 0.000 0.457 498 A N 1.285 123.973 122.820 -0.220 0.000 2.014 498 A HA -0.058 4.199 4.320 -0.104 0.000 0.218 498 A C 0.727 178.241 177.584 -0.117 0.000 1.163 498 A CA 0.524 52.455 52.037 -0.178 0.000 0.652 498 A CB -0.145 18.719 19.000 -0.227 0.000 0.808 498 A HN 0.338 nan 8.150 nan 0.000 0.449 499 E N 1.118 121.270 120.200 -0.080 0.000 2.331 499 E HA 0.389 4.677 4.350 -0.104 0.000 0.272 499 E C -2.605 173.975 176.600 -0.032 0.000 1.036 499 E CA -2.366 54.019 56.400 -0.026 0.000 0.864 499 E CB -0.061 29.662 29.700 0.038 0.000 1.035 499 E HN 0.147 nan 8.360 nan 0.000 0.408 500 P HA -0.037 nan 4.420 nan 0.000 0.269 500 P C -0.738 176.547 177.300 -0.026 0.000 1.215 500 P CA 0.223 63.307 63.100 -0.026 0.000 0.780 500 P CB 0.423 32.113 31.700 -0.017 0.000 0.898 501 M N 1.332 120.911 119.600 -0.035 0.000 2.180 501 M HA 0.244 4.662 4.480 -0.104 0.000 0.358 501 M C 0.329 176.610 176.300 -0.033 0.000 1.233 501 M CA -1.052 54.223 55.300 -0.043 0.000 1.114 501 M CB 0.494 33.060 32.600 -0.056 0.000 1.594 501 M HN 0.097 nan 8.290 nan 0.000 0.467 502 V N -0.054 119.844 119.914 -0.027 0.000 3.083 502 V HA -0.043 4.015 4.120 -0.104 0.000 0.303 502 V C 0.590 176.669 176.094 -0.025 0.000 1.151 502 V CA -0.445 61.846 62.300 -0.015 0.000 1.275 502 V CB 0.036 31.859 31.823 -0.001 0.000 0.950 502 V HN 1.024 nan 8.190 nan 0.000 0.506 503 E N 3.703 123.892 120.200 -0.018 0.000 2.905 503 E HA -0.121 4.167 4.350 -0.104 0.000 0.240 503 E C 0.681 177.261 176.600 -0.034 0.000 0.990 503 E CA 0.590 56.976 56.400 -0.023 0.000 0.954 503 E CB -0.135 29.555 29.700 -0.016 0.000 0.908 503 E HN 0.754 nan 8.360 nan 0.000 0.532 504 R N 1.130 121.602 120.500 -0.047 0.000 3.878 504 R HA -0.166 4.112 4.340 -0.104 0.000 0.330 504 R C 0.118 176.371 176.300 -0.079 0.000 1.186 504 R CA 0.749 56.811 56.100 -0.063 0.000 0.885 504 R CB -1.895 28.372 30.300 -0.054 0.000 1.377 504 R HN 0.678 nan 8.270 nan 0.000 0.523 505 G N -1.097 107.656 108.800 -0.078 0.000 3.107 505 G HA2 0.633 4.531 3.960 -0.104 0.000 0.232 505 G HA3 0.633 4.531 3.960 -0.104 0.000 0.232 505 G C 0.366 175.205 174.900 -0.103 0.000 1.339 505 G CA -0.478 44.564 45.100 -0.097 0.000 1.033 505 G HN 0.064 nan 8.290 nan 0.000 0.567 506 R N -0.976 119.450 120.500 -0.124 0.000 2.519 506 R HA 0.236 4.513 4.340 -0.104 0.000 0.375 506 R C -0.153 176.031 176.300 -0.193 0.000 0.926 506 R CA 0.080 56.124 56.100 -0.094 0.000 1.166 506 R CB 0.502 30.837 30.300 0.058 0.000 1.626 506 R HN 0.520 nan 8.270 nan 0.000 0.529 507 V N -3.317 116.451 119.914 -0.243 0.000 3.040 507 V HA 0.910 4.967 4.120 -0.104 0.000 0.312 507 V C 0.554 176.569 176.094 -0.131 0.000 1.115 507 V CA -0.977 61.169 62.300 -0.257 0.000 0.998 507 V CB 1.715 33.291 31.823 -0.410 0.000 1.042 507 V HN 0.045 nan 8.190 nan 0.000 0.433 508 G N 0.636 109.385 108.800 -0.086 0.000 2.516 508 G HA2 0.496 4.394 3.960 -0.104 0.000 0.276 508 G HA3 0.496 4.394 3.960 -0.104 0.000 0.276 508 G C -1.759 173.136 174.900 -0.008 0.000 1.390 508 G CA -0.589 44.492 45.100 -0.031 0.000 1.050 508 G HN 0.648 nan 8.290 nan 0.000 0.519 509 P HA -0.049 nan 4.420 nan 0.000 0.216 509 P C 2.113 179.457 177.300 0.073 0.000 1.153 509 P CA 0.289 63.432 63.100 0.072 0.000 0.844 509 P CB 0.083 31.833 31.700 0.083 0.000 0.787 510 L N -1.033 120.231 121.223 0.069 0.000 2.017 510 L HA -0.130 4.147 4.340 -0.104 0.000 0.208 510 L C 2.056 178.939 176.870 0.021 0.000 1.073 510 L CA 1.928 56.812 54.840 0.073 0.000 0.745 510 L CB -1.505 40.616 42.059 0.104 0.000 0.894 510 L HN -0.162 nan 8.230 nan 0.000 0.432 511 L N -0.148 121.071 121.223 -0.005 0.000 2.083 511 L HA -0.090 4.188 4.340 -0.104 0.000 0.209 511 L C 2.664 179.478 176.870 -0.092 0.000 1.083 511 L CA 1.900 56.712 54.840 -0.046 0.000 0.752 511 L CB -1.734 40.286 42.059 -0.066 0.000 0.899 511 L HN 0.368 nan 8.230 nan 0.000 0.433 512 A N -1.809 120.955 122.820 -0.093 0.000 1.969 512 A HA -0.238 4.019 4.320 -0.104 0.000 0.218 512 A C 2.569 179.934 177.584 -0.365 0.000 1.169 512 A CA 1.518 53.484 52.037 -0.119 0.000 0.635 512 A CB -1.183 17.822 19.000 0.009 0.000 0.810 512 A HN 0.573 nan 8.150 nan 0.000 0.445 513 c N -0.472 117.888 118.600 -0.400 0.000 2.489 513 c HA 0.043 4.550 4.570 -0.104 0.000 0.279 513 c C 2.554 176.259 174.090 -0.642 0.000 1.266 513 c CA 1.044 56.792 56.329 -0.968 0.000 1.707 513 c CB -1.496 40.816 42.510 -0.330 0.000 2.059 513 c HN 0.573 nan 8.230 nan 0.000 0.481 514 L N 0.708 121.836 121.223 -0.158 0.000 1.971 514 L HA -0.178 4.100 4.340 -0.104 0.000 0.215 514 L C 2.759 179.712 176.870 0.137 0.000 1.072 514 L CA 1.835 56.734 54.840 0.099 0.000 0.758 514 L CB -0.850 41.223 42.059 0.023 0.000 0.889 514 L HN 0.406 nan 8.230 nan 0.000 0.433 515 L N -0.531 120.724 121.223 0.053 0.000 2.017 515 L HA -0.126 4.151 4.340 -0.104 0.000 0.208 515 L C 2.735 179.719 176.870 0.190 0.000 1.073 515 L CA 1.405 56.358 54.840 0.188 0.000 0.745 515 L CB -1.184 40.951 42.059 0.128 0.000 0.894 515 L HN 0.325 nan 8.230 nan 0.000 0.432 516 G N -0.212 108.555 108.800 -0.055 0.000 2.491 516 G HA2 -0.300 3.598 3.960 -0.104 0.000 0.218 516 G HA3 -0.300 3.598 3.960 -0.104 0.000 0.218 516 G C 1.706 176.658 174.900 0.087 0.000 1.180 516 G CA 0.899 45.969 45.100 -0.049 0.000 0.774 516 G HN 0.249 nan 8.290 nan 0.000 0.562 517 R N -0.356 120.094 120.500 -0.082 0.000 2.080 517 R HA -0.116 4.162 4.340 -0.104 0.000 0.236 517 R C 2.725 179.140 176.300 0.193 0.000 1.137 517 R CA 1.860 58.015 56.100 0.091 0.000 0.943 517 R CB -0.456 29.793 30.300 -0.086 0.000 0.846 517 R HN 0.425 nan 8.270 nan 0.000 0.431 518 Q N 0.091 120.043 119.800 0.253 0.000 2.014 518 Q HA -0.187 4.091 4.340 -0.104 0.000 0.207 518 Q C 1.754 177.684 176.000 -0.116 0.000 0.993 518 Q CA 1.993 57.807 55.803 0.017 0.000 0.850 518 Q CB -0.355 28.058 28.738 -0.542 0.000 0.916 518 Q HN 0.247 nan 8.270 nan 0.000 0.417 519 F N 0.816 120.774 119.950 0.012 0.000 2.161 519 F HA -0.211 4.255 4.527 -0.103 0.000 0.300 519 F C 2.531 178.500 175.800 0.282 0.000 1.089 519 F CA 1.689 59.774 58.000 0.142 0.000 1.282 519 F CB -0.658 38.348 39.000 0.011 0.000 1.010 519 F HN 0.313 nan 8.300 nan 0.000 0.485 520 Q N 0.745 120.771 119.800 0.377 0.000 2.096 520 Q HA -0.240 4.037 4.340 -0.104 0.000 0.204 520 Q C 1.985 178.096 176.000 0.185 0.000 0.982 520 Q CA 1.866 57.844 55.803 0.292 0.000 0.850 520 Q CB -0.288 28.607 28.738 0.261 0.000 0.901 520 Q HN 0.529 nan 8.270 nan 0.000 0.422 521 Q N 0.142 120.037 119.800 0.159 0.000 2.119 521 Q HA -0.128 4.150 4.340 -0.104 0.000 0.201 521 Q C 2.250 178.313 176.000 0.104 0.000 0.972 521 Q CA 1.474 57.346 55.803 0.117 0.000 0.847 521 Q CB -0.285 28.530 28.738 0.129 0.000 0.903 521 Q HN 0.575 nan 8.270 nan 0.000 0.433 522 I N -1.411 119.224 120.570 0.108 0.000 2.546 522 I HA -0.145 3.962 4.170 -0.104 0.000 0.255 522 I C 2.316 178.521 176.117 0.147 0.000 1.163 522 I CA 1.242 62.619 61.300 0.129 0.000 1.457 522 I CB -0.192 37.886 38.000 0.129 0.000 1.092 522 I HN -0.039 nan 8.210 nan 0.000 0.434 523 R N 1.155 121.640 120.500 -0.026 0.000 2.066 523 R HA -0.095 4.183 4.340 -0.104 0.000 0.224 523 R C 1.421 177.494 176.300 -0.379 0.000 1.122 523 R CA 1.713 57.412 56.100 -0.667 0.000 0.974 523 R CB -0.510 28.887 30.300 -1.505 0.000 0.871 523 R HN 0.338 nan 8.270 nan 0.000 0.435 524 D N -0.016 120.328 120.400 -0.094 0.000 2.219 524 D HA -0.053 4.525 4.640 -0.104 0.000 0.205 524 D C 1.388 177.802 176.300 0.189 0.000 0.970 524 D CA 1.410 55.447 54.000 0.061 0.000 0.851 524 D CB -0.250 40.581 40.800 0.050 0.000 0.943 524 D HN 0.509 nan 8.370 nan 0.000 0.488 525 G N -0.285 108.651 108.800 0.227 0.000 3.284 525 G HA2 -0.032 3.865 3.960 -0.104 0.000 0.236 525 G HA3 -0.032 3.865 3.960 -0.104 0.000 0.236 525 G C -0.101 175.184 174.900 0.642 0.000 1.158 525 G CA -0.260 45.059 45.100 0.365 0.000 0.774 525 G HN 0.000 nan 8.290 nan 0.000 0.545 526 D N 0.024 120.758 120.400 0.556 0.000 2.329 526 D HA 0.217 4.795 4.640 -0.104 0.000 0.232 526 D C 1.436 177.705 176.300 -0.051 0.000 1.088 526 D CA -0.742 53.536 54.000 0.465 0.000 0.835 526 D CB 1.228 42.368 40.800 0.567 0.000 1.078 526 D HN 0.082 nan 8.370 nan 0.000 0.495 527 R N 2.866 123.053 120.500 -0.521 0.000 2.189 527 R HA 0.000 4.278 4.340 -0.104 0.000 0.218 527 R C 0.539 176.354 176.300 -0.809 0.000 1.074 527 R CA 1.054 56.392 56.100 -1.269 0.000 0.991 527 R CB -0.007 29.621 30.300 -1.119 0.000 0.883 527 R HN 0.385 nan 8.270 nan 0.000 0.457 528 F N -0.298 119.515 119.950 -0.229 0.000 2.647 528 F HA 0.183 4.645 4.527 -0.108 0.000 0.300 528 F C 0.480 176.330 175.800 0.083 0.000 1.106 528 F CA -0.874 57.065 58.000 -0.103 0.000 1.313 528 F CB 0.032 38.948 39.000 -0.140 0.000 1.007 528 F HN 0.090 nan 8.300 nan 0.000 0.536 529 W N 2.666 124.005 121.300 0.065 0.000 2.345 529 W HA -0.196 4.421 4.660 -0.072 0.000 0.346 529 W C 1.408 178.023 176.519 0.160 0.000 1.243 529 W CA -0.197 57.199 57.345 0.084 0.000 1.327 529 W CB 0.386 29.801 29.460 -0.074 0.000 1.187 529 W HN 0.495 nan 8.180 nan 0.000 0.588 530 W N 3.472 124.357 121.300 -0.691 0.000 2.425 530 W HA -0.093 4.552 4.660 -0.025 0.000 0.277 530 W C 0.839 177.379 176.519 0.036 0.000 1.231 530 W CA 1.316 58.554 57.345 -0.178 0.000 1.248 530 W CB -0.492 28.756 29.460 -0.353 0.000 1.117 530 W HN 0.463 nan 8.180 nan 0.000 0.568 531 E N 0.762 120.331 120.200 -1.052 0.000 2.481 531 E HA -0.062 4.226 4.350 -0.104 0.000 0.198 531 E C -0.060 176.624 176.600 0.140 0.000 1.027 531 E CA -0.301 55.646 56.400 -0.756 0.000 0.900 531 E CB -0.184 28.945 29.700 -0.951 0.000 0.993 531 E HN 0.006 nan 8.360 nan 0.000 0.482 532 N N 2.712 121.595 118.700 0.304 0.000 2.434 532 N HA -0.005 4.673 4.740 -0.104 0.000 0.268 532 N C -2.649 172.944 175.510 0.138 0.000 1.256 532 N CA -1.317 51.936 53.050 0.339 0.000 0.914 532 N CB 0.549 39.190 38.487 0.256 0.000 1.088 532 N HN -0.205 nan 8.380 nan 0.000 0.478 533 P HA 0.041 nan 4.420 nan 0.000 0.258 533 P C 0.678 177.986 177.300 0.015 0.000 1.172 533 P CA 0.894 64.018 63.100 0.041 0.000 0.762 533 P CB 0.194 31.903 31.700 0.015 0.000 0.764 534 G N 1.560 110.366 108.800 0.011 0.000 2.195 534 G HA2 -0.265 3.633 3.960 -0.104 0.000 0.224 534 G HA3 -0.265 3.633 3.960 -0.104 0.000 0.224 534 G C 0.847 175.712 174.900 -0.059 0.000 0.990 534 G CA 0.099 45.184 45.100 -0.025 0.000 0.639 534 G HN 0.390 nan 8.290 nan 0.000 0.514 535 V N -0.191 119.693 119.914 -0.050 0.000 2.331 535 V HA 0.386 4.444 4.120 -0.104 0.000 0.242 535 V C 1.246 177.172 176.094 -0.281 0.000 1.034 535 V CA 1.591 63.800 62.300 -0.151 0.000 1.027 535 V CB -0.284 31.486 31.823 -0.088 0.000 0.667 535 V HN 0.262 nan 8.190 nan 0.000 0.457 536 F N -0.121 119.867 119.950 0.062 0.000 2.523 536 F HA 0.487 4.993 4.527 -0.036 0.000 0.329 536 F C 0.887 176.675 175.800 -0.020 0.000 1.061 536 F CA -0.685 57.342 58.000 0.045 0.000 0.967 536 F CB 1.494 40.577 39.000 0.138 0.000 1.218 536 F HN -0.013 nan 8.300 nan 0.000 0.480 537 T N -1.888 112.732 114.554 0.110 0.000 2.754 537 T HA 0.144 4.432 4.350 -0.104 0.000 0.286 537 T C 1.097 175.816 174.700 0.032 0.000 0.997 537 T CA -0.329 61.782 62.100 0.018 0.000 0.982 537 T CB 1.108 69.939 68.868 -0.062 0.000 1.027 537 T HN 0.741 nan 8.240 nan 0.000 0.529 538 E N 0.858 121.066 120.200 0.014 0.000 2.055 538 E HA -0.234 4.054 4.350 -0.104 0.000 0.209 538 E C 2.098 178.705 176.600 0.010 0.000 1.036 538 E CA 2.097 58.509 56.400 0.021 0.000 0.849 538 E CB -0.297 29.409 29.700 0.009 0.000 0.767 538 E HN 0.737 nan 8.360 nan 0.000 0.461 539 K N -0.304 120.078 120.400 -0.031 0.000 2.009 539 K HA -0.234 4.024 4.320 -0.104 0.000 0.210 539 K C 2.530 179.077 176.600 -0.088 0.000 1.049 539 K CA 1.966 58.223 56.287 -0.050 0.000 0.929 539 K CB -0.243 32.211 32.500 -0.077 0.000 0.714 539 K HN 0.258 nan 8.250 nan 0.000 0.440 540 Q N 0.314 119.975 119.800 -0.231 0.000 2.077 540 Q HA -0.178 4.100 4.340 -0.104 0.000 0.206 540 Q C 2.203 178.174 176.000 -0.048 0.000 0.989 540 Q CA 1.573 57.131 55.803 -0.409 0.000 0.853 540 Q CB -0.131 28.253 28.738 -0.590 0.000 0.907 540 Q HN 0.242 nan 8.270 nan 0.000 0.418 541 R N 0.459 121.000 120.500 0.068 0.000 2.096 541 R HA -0.138 4.140 4.340 -0.104 0.000 0.235 541 R C 1.793 178.216 176.300 0.205 0.000 1.127 541 R CA 1.387 57.626 56.100 0.232 0.000 0.968 541 R CB -0.136 30.321 30.300 0.262 0.000 0.861 541 R HN 0.357 nan 8.270 nan 0.000 0.440 542 D N -0.312 120.160 120.400 0.121 0.000 2.178 542 D HA -0.095 4.483 4.640 -0.104 0.000 0.202 542 D C 1.777 178.127 176.300 0.084 0.000 0.974 542 D CA 1.058 55.120 54.000 0.102 0.000 0.841 542 D CB 0.062 40.905 40.800 0.071 0.000 0.953 542 D HN 0.065 nan 8.370 nan 0.000 0.478 543 S N 0.012 115.767 115.700 0.092 0.000 2.387 543 S HA 0.002 4.410 4.470 -0.104 0.000 0.226 543 S C 2.109 176.761 174.600 0.086 0.000 1.026 543 S CA 0.303 58.578 58.200 0.124 0.000 0.972 543 S CB 0.025 63.373 63.200 0.247 0.000 0.814 543 S HN 0.192 nan 8.310 nan 0.000 0.477 544 L N 0.766 122.018 121.223 0.048 0.000 2.156 544 L HA -0.021 4.257 4.340 -0.104 0.000 0.208 544 L C 2.460 179.186 176.870 -0.240 0.000 1.095 544 L CA 0.903 55.659 54.840 -0.140 0.000 0.770 544 L CB -0.407 41.455 42.059 -0.328 0.000 0.914 544 L HN 0.337 nan 8.230 nan 0.000 0.439 545 Q N 0.129 119.860 119.800 -0.115 0.000 2.443 545 Q HA -0.185 4.093 4.340 -0.104 0.000 0.213 545 Q C 1.437 177.394 176.000 -0.072 0.000 0.982 545 Q CA 1.126 56.880 55.803 -0.082 0.000 0.894 545 Q CB 0.155 28.947 28.738 0.089 0.000 0.947 545 Q HN 0.410 nan 8.270 nan 0.000 0.480 546 K N -0.284 120.077 120.400 -0.064 0.000 2.358 546 K HA 0.080 4.338 4.320 -0.104 0.000 0.197 546 K C 0.112 176.673 176.600 -0.065 0.000 1.025 546 K CA -0.098 56.161 56.287 -0.047 0.000 1.104 546 K CB 0.743 33.231 32.500 -0.020 0.000 0.855 546 K HN 0.046 nan 8.250 nan 0.000 0.531 547 V N 0.340 120.200 119.914 -0.089 0.000 2.872 547 V HA 0.179 4.237 4.120 -0.104 0.000 0.307 547 V C 0.002 176.057 176.094 -0.064 0.000 1.072 547 V CA -0.604 61.673 62.300 -0.037 0.000 1.148 547 V CB 1.095 32.953 31.823 0.059 0.000 0.954 547 V HN 0.196 nan 8.190 nan 0.000 0.490 548 S N 2.517 118.212 115.700 -0.008 0.000 2.564 548 S HA 0.548 4.956 4.470 -0.104 0.000 0.274 548 S C -0.440 174.169 174.600 0.017 0.000 1.124 548 S CA -0.582 57.583 58.200 -0.059 0.000 0.869 548 S CB 1.480 64.632 63.200 -0.079 0.000 1.105 548 S HN 0.779 nan 8.310 nan 0.000 0.472 549 F N 1.702 121.526 119.950 -0.208 0.000 2.802 549 F HA 0.088 4.566 4.527 -0.083 0.000 0.302 549 F C 1.383 177.096 175.800 -0.144 0.000 1.211 549 F CA 0.352 58.259 58.000 -0.156 0.000 1.431 549 F CB 0.047 38.810 39.000 -0.395 0.000 1.114 549 F HN 0.660 nan 8.300 nan 0.000 0.567 550 S N -1.257 114.467 115.700 0.041 0.000 2.523 550 S HA 0.121 4.529 4.470 -0.104 0.000 0.217 550 S C 1.602 176.184 174.600 -0.030 0.000 0.996 550 S CA -0.357 57.841 58.200 -0.003 0.000 0.921 550 S CB 0.223 63.366 63.200 -0.096 0.000 0.829 550 S HN 0.205 nan 8.310 nan 0.000 0.495 551 R N 1.930 122.400 120.500 -0.050 0.000 2.064 551 R HA 0.356 4.634 4.340 -0.104 0.000 0.221 551 R C 2.033 178.253 176.300 -0.135 0.000 1.136 551 R CA 0.595 56.647 56.100 -0.080 0.000 0.980 551 R CB -1.223 29.035 30.300 -0.070 0.000 0.876 551 R HN 0.360 nan 8.270 nan 0.000 0.437 552 L N 0.649 121.745 121.223 -0.212 0.000 2.021 552 L HA -0.175 4.103 4.340 -0.104 0.000 0.215 552 L C 1.925 178.652 176.870 -0.239 0.000 1.074 552 L CA 1.814 56.443 54.840 -0.352 0.000 0.760 552 L CB -0.374 41.319 42.059 -0.610 0.000 0.889 552 L HN 0.246 nan 8.230 nan 0.000 0.433 553 I N -1.565 118.924 120.570 -0.135 0.000 2.142 553 I HA -0.387 3.721 4.170 -0.104 0.000 0.240 553 I C 2.509 178.602 176.117 -0.041 0.000 1.078 553 I CA 1.568 62.854 61.300 -0.024 0.000 1.343 553 I CB -0.603 37.456 38.000 0.099 0.000 1.046 553 I HN 0.419 nan 8.210 nan 0.000 0.405 554 c N 0.703 119.279 118.600 -0.040 0.000 2.462 554 c HA -0.151 4.357 4.570 -0.104 0.000 0.278 554 c C 2.381 176.429 174.090 -0.069 0.000 1.253 554 c CA 0.662 56.971 56.329 -0.033 0.000 1.713 554 c CB -1.029 41.468 42.510 -0.022 0.000 2.049 554 c HN 0.515 nan 8.230 nan 0.000 0.477 555 D N 0.751 121.090 120.400 -0.102 0.000 2.309 555 D HA -0.067 4.511 4.640 -0.104 0.000 0.212 555 D C 1.145 177.358 176.300 -0.145 0.000 0.968 555 D CA 1.067 54.994 54.000 -0.121 0.000 0.882 555 D CB -0.441 40.267 40.800 -0.153 0.000 0.918 555 D HN 0.578 nan 8.370 nan 0.000 0.503 556 N N -0.458 118.148 118.700 -0.157 0.000 2.194 556 N HA 0.029 4.706 4.740 -0.104 0.000 0.231 556 N C 0.017 175.415 175.510 -0.187 0.000 1.247 556 N CA 0.166 53.109 53.050 -0.178 0.000 0.884 556 N CB 1.748 40.119 38.487 -0.194 0.000 1.146 556 N HN 0.211 nan 8.380 nan 0.000 0.516 557 T N -3.148 111.293 114.554 -0.188 0.000 2.731 557 T HA 0.341 4.629 4.350 -0.104 0.000 0.300 557 T C -0.686 173.877 174.700 -0.228 0.000 1.283 557 T CA -0.486 61.495 62.100 -0.198 0.000 1.005 557 T CB 1.523 70.348 68.868 -0.072 0.000 1.420 557 T HN 0.045 nan 8.240 nan 0.000 0.503 558 H N -0.241 118.817 119.070 -0.019 0.000 2.539 558 H HA 0.515 5.011 4.556 -0.100 0.000 0.293 558 H C -0.323 174.999 175.328 -0.010 0.000 1.156 558 H CA -0.432 55.599 56.048 -0.028 0.000 1.012 558 H CB -0.290 29.430 29.762 -0.071 0.000 1.600 558 H HN 0.319 nan 8.280 nan 0.000 0.538 559 I N 1.036 121.662 120.570 0.093 0.000 2.353 559 I HA 0.090 4.197 4.170 -0.104 0.000 0.293 559 I C 0.974 177.163 176.117 0.120 0.000 0.992 559 I CA -0.100 61.266 61.300 0.109 0.000 1.268 559 I CB 1.717 39.787 38.000 0.117 0.000 1.387 559 I HN 0.331 nan 8.210 nan 0.000 0.478 560 T N 0.573 115.215 114.554 0.148 0.000 3.040 560 T HA 0.275 4.563 4.350 -0.104 0.000 0.266 560 T C 0.391 175.191 174.700 0.167 0.000 1.005 560 T CA -0.282 61.896 62.100 0.131 0.000 0.906 560 T CB 0.222 69.156 68.868 0.109 0.000 1.082 560 T HN 0.250 nan 8.240 nan 0.000 0.531 561 K N 2.585 123.140 120.400 0.258 0.000 2.483 561 K HA 0.668 4.925 4.320 -0.104 0.000 0.256 561 K C -0.597 176.249 176.600 0.409 0.000 0.961 561 K CA -0.521 55.975 56.287 0.348 0.000 0.873 561 K CB 2.292 35.089 32.500 0.493 0.000 1.107 561 K HN 0.321 nan 8.250 nan 0.000 0.432 562 V N -0.056 119.955 119.914 0.162 0.000 3.160 562 V HA 0.688 4.745 4.120 -0.104 0.000 0.310 562 V C -2.756 173.053 176.094 -0.475 0.000 1.181 562 V CA -2.746 59.483 62.300 -0.118 0.000 1.047 562 V CB 2.150 33.946 31.823 -0.045 0.000 1.068 562 V HN 0.299 nan 8.190 nan 0.000 0.441 563 P HA 0.232 nan 4.420 nan 0.000 0.272 563 P C 0.108 177.182 177.300 -0.378 0.000 1.254 563 P CA 0.029 62.761 63.100 -0.613 0.000 0.795 563 P CB 0.569 31.959 31.700 -0.517 0.000 1.022 564 L N 0.073 121.071 121.223 -0.376 0.000 2.467 564 L HA 0.169 4.447 4.340 -0.104 0.000 0.213 564 L C 0.469 176.977 176.870 -0.603 0.000 1.053 564 L CA 1.471 56.030 54.840 -0.469 0.000 0.847 564 L CB -0.532 41.209 42.059 -0.529 0.000 1.075 564 L HN 0.331 nan 8.230 nan 0.000 0.479 565 H N -0.460 118.493 119.070 -0.195 0.000 2.736 565 H HA 0.467 4.961 4.556 -0.105 0.000 0.271 565 H C 0.900 176.085 175.328 -0.238 0.000 1.184 565 H CA 0.225 56.155 56.048 -0.196 0.000 1.378 565 H CB 1.165 30.848 29.762 -0.132 0.000 1.428 565 H HN 0.104 nan 8.280 nan 0.000 0.500 566 A N 2.371 125.029 122.820 -0.270 0.000 2.067 566 A HA -0.112 4.146 4.320 -0.104 0.000 0.219 566 A C 1.159 178.617 177.584 -0.209 0.000 1.158 566 A CA 0.961 52.797 52.037 -0.336 0.000 0.661 566 A CB -0.405 18.310 19.000 -0.474 0.000 0.801 566 A HN 0.339 nan 8.150 nan 0.000 0.452 567 F N 0.439 120.367 119.950 -0.036 0.000 2.512 567 F HA 0.072 4.539 4.527 -0.100 0.000 0.296 567 F C 1.641 177.415 175.800 -0.042 0.000 1.110 567 F CA 0.005 58.012 58.000 0.011 0.000 1.446 567 F CB -0.539 38.515 39.000 0.090 0.000 1.092 567 F HN 0.471 nan 8.300 nan 0.000 0.554 568 Q N 1.026 120.881 119.800 0.092 0.000 2.382 568 Q HA 0.542 4.820 4.340 -0.104 0.000 0.229 568 Q C -0.041 175.972 176.000 0.021 0.000 1.006 568 Q CA -0.608 55.199 55.803 0.006 0.000 0.916 568 Q CB 1.077 29.802 28.738 -0.022 0.000 1.235 568 Q HN 0.107 nan 8.270 nan 0.000 0.512 569 A N 2.828 125.651 122.820 0.006 0.000 2.515 569 A HA 0.129 4.387 4.320 -0.104 0.000 0.263 569 A C -0.516 177.094 177.584 0.044 0.000 1.096 569 A CA -0.286 51.774 52.037 0.039 0.000 0.769 569 A CB -0.341 18.676 19.000 0.028 0.000 1.040 569 A HN 0.716 nan 8.150 nan 0.000 0.505 570 N N 2.773 121.529 118.700 0.093 0.000 2.354 570 N HA 0.283 4.961 4.740 -0.104 0.000 0.287 570 N C -1.364 174.326 175.510 0.301 0.000 1.016 570 N CA -0.521 52.608 53.050 0.132 0.000 0.871 570 N CB 1.709 40.208 38.487 0.019 0.000 1.299 570 N HN 0.652 nan 8.380 nan 0.000 0.482 571 N N 1.515 120.359 118.700 0.240 0.000 2.362 571 N HA 0.211 4.888 4.740 -0.104 0.000 0.298 571 N C -1.070 174.532 175.510 0.153 0.000 1.048 571 N CA -0.301 52.862 53.050 0.189 0.000 0.858 571 N CB 1.905 40.454 38.487 0.103 0.000 1.218 571 N HN 0.506 nan 8.380 nan 0.000 0.488 572 Y N 2.479 122.609 120.300 -0.283 0.000 2.387 572 Y HA 0.450 4.937 4.550 -0.106 0.000 0.330 572 Y C -1.445 174.319 175.900 -0.227 0.000 1.133 572 Y CA -1.445 56.299 58.100 -0.594 0.000 1.152 572 Y CB 1.349 38.925 38.460 -1.475 0.000 1.215 572 Y HN 0.472 nan 8.280 nan 0.000 0.466 573 P HA 0.062 nan 4.420 nan 0.000 0.261 573 P C 0.848 177.869 177.300 -0.465 0.000 1.268 573 P CA 0.765 62.937 63.100 -1.547 0.000 0.833 573 P CB 0.024 30.925 31.700 -1.331 0.000 1.231 574 H N 0.990 119.902 119.070 -0.264 0.000 2.290 574 H HA -0.107 4.388 4.556 -0.103 0.000 0.298 574 H C 0.571 175.899 175.328 0.001 0.000 1.087 574 H CA 1.285 57.275 56.048 -0.098 0.000 1.291 574 H CB 0.219 29.952 29.762 -0.048 0.000 1.369 574 H HN -0.065 nan 8.280 nan 0.000 0.492 575 D N -0.026 120.419 120.400 0.074 0.000 2.328 575 D HA 0.019 4.597 4.640 -0.104 0.000 0.226 575 D C -0.715 175.656 176.300 0.118 0.000 1.066 575 D CA 0.287 54.291 54.000 0.007 0.000 0.861 575 D CB -0.081 40.682 40.800 -0.062 0.000 0.912 575 D HN 0.149 nan 8.370 nan 0.000 0.521 576 F N 1.044 120.934 119.950 -0.100 0.000 2.411 576 F HA 0.265 4.733 4.527 -0.098 0.000 0.352 576 F C 0.636 176.414 175.800 -0.036 0.000 1.123 576 F CA -1.568 56.404 58.000 -0.046 0.000 1.044 576 F CB 1.317 40.364 39.000 0.078 0.000 1.135 576 F HN -0.309 nan 8.300 nan 0.000 0.461 577 V N -0.449 119.514 119.914 0.083 0.000 3.096 577 V HA 0.574 4.632 4.120 -0.104 0.000 0.319 577 V C -0.282 175.855 176.094 0.072 0.000 1.103 577 V CA -0.918 61.413 62.300 0.052 0.000 1.016 577 V CB 1.926 33.743 31.823 -0.009 0.000 1.090 577 V HN 0.641 nan 8.190 nan 0.000 0.449 578 D N 0.089 120.522 120.400 0.056 0.000 2.372 578 D HA 0.139 4.717 4.640 -0.104 0.000 0.243 578 D C 1.067 177.388 176.300 0.034 0.000 1.121 578 D CA 0.079 54.115 54.000 0.061 0.000 0.898 578 D CB 1.817 42.646 40.800 0.049 0.000 1.202 578 D HN 0.776 nan 8.370 nan 0.000 0.428 579 c N 1.581 120.206 118.600 0.042 0.000 2.403 579 c HA -0.158 4.349 4.570 -0.104 0.000 0.277 579 c C 2.649 176.740 174.090 0.001 0.000 1.248 579 c CA 1.108 57.449 56.329 0.019 0.000 1.762 579 c CB -0.986 41.541 42.510 0.028 0.000 2.014 579 c HN 0.634 nan 8.230 nan 0.000 0.486 580 S N -0.358 115.347 115.700 0.008 0.000 2.474 580 S HA -0.129 4.279 4.470 -0.104 0.000 0.235 580 S C 1.464 176.060 174.600 -0.007 0.000 0.997 580 S CA 1.403 59.604 58.200 0.000 0.000 0.949 580 S CB -0.462 62.741 63.200 0.006 0.000 0.766 580 S HN 0.729 nan 8.310 nan 0.000 0.517 581 T N 1.778 116.326 114.554 -0.010 0.000 3.169 581 T HA 0.216 4.504 4.350 -0.104 0.000 0.250 581 T C 0.210 174.890 174.700 -0.034 0.000 1.111 581 T CA 0.168 62.257 62.100 -0.018 0.000 1.010 581 T CB -0.067 68.791 68.868 -0.017 0.000 0.984 581 T HN 0.110 nan 8.240 nan 0.000 0.537 582 V N 2.955 122.847 119.914 -0.037 0.000 2.384 582 V HA 0.226 4.284 4.120 -0.104 0.000 0.287 582 V C -0.359 175.709 176.094 -0.043 0.000 1.020 582 V CA -1.563 60.705 62.300 -0.053 0.000 0.850 582 V CB 1.474 33.258 31.823 -0.066 0.000 0.987 582 V HN 0.332 nan 8.190 nan 0.000 0.436 583 D N 4.311 124.686 120.400 -0.041 0.000 2.586 583 D HA 0.029 4.607 4.640 -0.104 0.000 0.234 583 D C 0.108 176.386 176.300 -0.036 0.000 1.132 583 D CA 0.613 54.595 54.000 -0.031 0.000 0.860 583 D CB 0.951 41.736 40.800 -0.026 0.000 1.159 583 D HN 0.446 nan 8.370 nan 0.000 0.490 584 K N 0.638 121.020 120.400 -0.030 0.000 2.098 584 K HA 0.344 4.601 4.320 -0.104 0.000 0.244 584 K C -0.054 176.523 176.600 -0.037 0.000 1.014 584 K CA -0.971 55.291 56.287 -0.040 0.000 0.917 584 K CB 0.805 33.283 32.500 -0.036 0.000 1.072 584 K HN 0.212 nan 8.250 nan 0.000 0.477 585 L N 2.045 123.232 121.223 -0.061 0.000 2.312 585 L HA 0.145 4.422 4.340 -0.104 0.000 0.287 585 L C -0.849 175.998 176.870 -0.038 0.000 1.091 585 L CA 0.113 54.916 54.840 -0.061 0.000 0.846 585 L CB 0.071 42.053 42.059 -0.128 0.000 1.219 585 L HN 0.442 nan 8.230 nan 0.000 0.439 586 D N 3.598 124.016 120.400 0.029 0.000 2.325 586 D HA 0.159 4.736 4.640 -0.104 0.000 0.251 586 D C 0.710 177.107 176.300 0.162 0.000 1.196 586 D CA -0.006 54.032 54.000 0.064 0.000 0.866 586 D CB 0.779 41.622 40.800 0.072 0.000 1.101 586 D HN 0.636 nan 8.370 nan 0.000 0.476 587 L N 2.954 124.245 121.223 0.113 0.000 2.612 587 L HA 0.072 4.350 4.340 -0.104 0.000 0.230 587 L C 2.181 179.278 176.870 0.379 0.000 1.140 587 L CA -0.032 54.952 54.840 0.240 0.000 0.896 587 L CB -0.121 41.913 42.059 -0.042 0.000 1.065 587 L HN 0.414 nan 8.230 nan 0.000 0.447 588 S N 1.026 116.862 115.700 0.227 0.000 2.392 588 S HA -0.128 4.280 4.470 -0.104 0.000 0.232 588 S C -0.569 174.131 174.600 0.167 0.000 1.041 588 S CA 1.662 59.955 58.200 0.155 0.000 1.026 588 S CB -0.653 62.601 63.200 0.090 0.000 0.845 588 S HN 0.339 nan 8.310 nan 0.000 0.465 589 P HA -0.027 nan 4.420 nan 0.000 0.234 589 P C 0.461 177.713 177.300 -0.079 0.000 1.167 589 P CA 0.639 63.729 63.100 -0.016 0.000 0.763 589 P CB -0.051 31.537 31.700 -0.186 0.000 0.835 590 W N -0.305 121.047 121.300 0.087 0.000 3.316 590 W HA 0.419 5.033 4.660 -0.078 0.000 0.327 590 W C 0.243 176.785 176.519 0.038 0.000 1.232 590 W CA -0.563 56.866 57.345 0.139 0.000 1.805 590 W CB 0.035 29.591 29.460 0.161 0.000 1.090 590 W HN -0.130 nan 8.180 nan 0.000 0.654 591 A N 1.191 124.094 122.820 0.139 0.000 2.484 591 A HA 0.109 4.367 4.320 -0.104 0.000 0.268 591 A C 0.855 178.461 177.584 0.038 0.000 1.114 591 A CA 0.443 52.490 52.037 0.016 0.000 0.780 591 A CB 0.247 19.256 19.000 0.015 0.000 1.061 591 A HN 0.044 nan 8.150 nan 0.000 0.505 592 S N 3.460 119.146 115.700 -0.023 0.000 4.120 592 S HA 0.098 4.506 4.470 -0.104 0.000 0.215 592 S C 1.377 176.043 174.600 0.109 0.000 1.347 592 S CA -0.269 58.047 58.200 0.192 0.000 0.889 592 S CB -0.849 62.553 63.200 0.337 0.000 1.585 592 S HN 0.784 nan 8.310 nan 0.000 0.447 593 R N 2.000 122.535 120.500 0.058 0.000 2.446 593 R HA -0.209 4.069 4.340 -0.104 0.000 0.206 593 R C 0.622 176.902 176.300 -0.034 0.000 1.011 593 R CA 2.410 58.512 56.100 0.004 0.000 0.780 593 R CB -0.256 30.052 30.300 0.014 0.000 0.782 593 R HN 0.829 nan 8.270 nan 0.000 0.428 594 E N 1.885 122.081 120.200 -0.007 0.000 2.055 594 E HA 0.161 4.449 4.350 -0.104 0.000 0.274 594 E C -0.800 175.795 176.600 -0.008 0.000 0.949 594 E CA -0.881 55.504 56.400 -0.026 0.000 0.775 594 E CB 0.463 30.158 29.700 -0.009 0.000 1.097 594 E HN 0.316 nan 8.360 nan 0.000 0.404 595 N N 0.000 118.663 118.700 -0.061 0.000 1.763 595 N HA 0.000 4.678 4.740 -0.104 0.000 0.220 595 N CA 0.000 53.044 53.050 -0.010 0.000 0.885 595 N CB 0.000 38.494 38.487 0.012 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667