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 1ryy_1_H DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPASVXXXX XQQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSAEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.329 175.328 0.001 0.000 0.993 50 H CA 0.000 56.049 56.048 0.001 0.000 1.023 50 H CB 0.000 29.763 29.762 0.001 0.000 1.292 51 D N 3.200 123.576 120.400 -0.040 0.000 2.325 51 D HA 0.126 4.766 4.640 -0.000 0.000 0.251 51 D C -1.400 174.846 176.300 -0.090 0.000 1.196 51 D CA -1.620 52.330 54.000 -0.084 0.000 0.866 51 D CB 1.687 42.478 40.800 -0.015 0.000 1.101 51 D HN 0.340 nan 8.370 nan 0.000 0.476 52 P HA -0.035 nan 4.420 nan 0.000 0.225 52 P C 1.411 178.699 177.300 -0.021 0.000 1.156 52 P CA 0.434 63.484 63.100 -0.084 0.000 0.787 52 P CB 0.473 32.109 31.700 -0.107 0.000 0.802 53 L N -1.574 119.636 121.223 -0.022 0.000 2.591 53 L HA 0.139 4.479 4.340 -0.000 0.000 0.228 53 L C 2.069 178.942 176.870 0.005 0.000 1.133 53 L CA 0.580 55.416 54.840 -0.007 0.000 0.880 53 L CB -0.202 41.850 42.059 -0.011 0.000 1.033 53 L HN -0.055 nan 8.230 nan 0.000 0.450 54 S N -1.776 113.932 115.700 0.014 0.000 3.056 54 S HA 0.203 4.673 4.470 -0.000 0.000 0.255 54 S C 0.436 175.060 174.600 0.041 0.000 1.079 54 S CA -0.181 58.033 58.200 0.023 0.000 0.810 54 S CB 0.885 64.098 63.200 0.022 0.000 0.810 54 S HN -0.059 nan 8.310 nan 0.000 0.477 55 V N 3.106 123.063 119.914 0.071 0.000 2.370 55 V HA 0.603 4.723 4.120 -0.000 0.000 0.283 55 V C -0.531 175.638 176.094 0.125 0.000 1.023 55 V CA -0.564 61.800 62.300 0.106 0.000 0.857 55 V CB 1.240 33.163 31.823 0.168 0.000 0.985 55 V HN 0.297 nan 8.190 nan 0.000 0.443 56 Q N 3.221 123.067 119.800 0.077 0.000 2.357 56 Q HA 0.433 4.773 4.340 -0.000 0.000 0.266 56 Q C 0.479 176.507 176.000 0.046 0.000 1.021 56 Q CA -0.063 55.780 55.803 0.067 0.000 0.784 56 Q CB 1.725 30.487 28.738 0.041 0.000 1.243 56 Q HN 0.886 nan 8.270 nan 0.000 0.465 57 T N -0.006 114.581 114.554 0.055 0.000 3.054 57 T HA 0.418 4.768 4.350 -0.000 0.000 0.255 57 T C 0.770 175.481 174.700 0.018 0.000 1.035 57 T CA 0.201 62.307 62.100 0.010 0.000 0.941 57 T CB 0.586 69.427 68.868 -0.045 0.000 1.026 57 T HN 0.477 nan 8.240 nan 0.000 0.533 58 G N 1.029 109.849 108.800 0.034 0.000 2.940 58 G HA2 0.559 4.519 3.960 -0.000 0.000 0.164 58 G HA3 0.559 4.519 3.960 -0.000 0.000 0.164 58 G C -0.857 174.054 174.900 0.020 0.000 1.326 58 G CA -0.575 44.541 45.100 0.027 0.000 1.020 58 G HN 0.312 nan 8.290 nan 0.000 0.586 59 S N -1.217 114.493 115.700 0.018 0.000 2.549 59 S HA 0.391 4.861 4.470 -0.000 0.000 0.297 59 S C -0.070 174.539 174.600 0.015 0.000 1.115 59 S CA -0.557 57.651 58.200 0.014 0.000 1.059 59 S CB 1.570 64.777 63.200 0.011 0.000 1.046 59 S HN 0.338 nan 8.310 nan 0.000 0.506 60 D N 2.296 122.703 120.400 0.013 0.000 2.340 60 D HA 0.246 4.886 4.640 -0.000 0.000 0.220 60 D C -0.071 176.236 176.300 0.010 0.000 1.039 60 D CA 0.441 54.448 54.000 0.012 0.000 0.866 60 D CB 0.039 40.846 40.800 0.011 0.000 0.913 60 D HN 0.484 nan 8.370 nan 0.000 0.523 61 I N 2.091 122.667 120.570 0.010 0.000 2.331 61 I HA 0.189 4.359 4.170 -0.000 0.000 0.292 61 I C -1.899 174.224 176.117 0.010 0.000 0.998 61 I CA -1.888 59.418 61.300 0.010 0.000 1.267 61 I CB 1.269 39.274 38.000 0.009 0.000 1.386 61 I HN -0.270 nan 8.210 nan 0.000 0.476 62 P HA 0.094 nan 4.420 nan 0.000 0.269 62 P C 0.398 177.704 177.300 0.010 0.000 1.215 62 P CA -0.210 62.895 63.100 0.010 0.000 0.780 62 P CB 0.816 32.522 31.700 0.009 0.000 0.898 63 A N 1.815 124.642 122.820 0.011 0.000 1.851 63 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 63 A C 0.910 178.501 177.584 0.012 0.000 1.195 63 A CA 1.970 54.014 52.037 0.011 0.000 0.622 63 A CB -0.979 18.028 19.000 0.011 0.000 0.831 63 A HN 0.656 nan 8.150 nan 0.000 0.444 64 S N -1.236 114.471 115.700 0.012 0.000 2.614 64 S HA 0.605 5.075 4.470 -0.000 0.000 0.288 64 S C -0.508 174.100 174.600 0.012 0.000 1.137 64 S CA -0.279 57.929 58.200 0.013 0.000 0.992 64 S CB 1.413 64.621 63.200 0.013 0.000 1.026 64 S HN 0.908 nan 8.310 nan 0.000 0.486 72 Q N 0.889 120.660 119.800 -0.048 0.000 2.360 72 Q HA 0.272 4.612 4.340 -0.000 0.000 0.202 72 Q C 0.055 176.030 176.000 -0.042 0.000 0.915 72 Q CA 0.071 55.854 55.803 -0.033 0.000 0.943 72 Q CB 0.761 29.486 28.738 -0.022 0.000 1.064 72 Q HN 0.144 nan 8.270 nan 0.000 0.511 73 R N 0.727 121.171 120.500 -0.093 0.000 2.573 73 R HA 0.052 4.392 4.340 -0.000 0.000 0.272 73 R C 0.072 176.325 176.300 -0.079 0.000 1.009 73 R CA -0.130 55.887 56.100 -0.138 0.000 1.059 73 R CB 0.699 30.749 30.300 -0.417 0.000 1.112 73 R HN 0.048 nan 8.270 nan 0.000 0.517 74 D N 0.172 120.587 120.400 0.026 0.000 2.424 74 D HA 0.034 4.674 4.640 -0.000 0.000 0.220 74 D C -0.562 175.843 176.300 0.174 0.000 1.150 74 D CA -0.071 53.983 54.000 0.091 0.000 0.831 74 D CB -0.087 40.783 40.800 0.115 0.000 0.981 74 D HN 0.445 nan 8.370 nan 0.000 0.500 75 Y N -2.042 118.272 120.300 0.024 0.000 2.655 75 Y HA 0.679 5.229 4.550 -0.000 0.000 0.336 75 Y C -1.687 174.229 175.900 0.027 0.000 1.154 75 Y CA -1.779 56.337 58.100 0.028 0.000 1.055 75 Y CB 1.093 39.575 38.460 0.036 0.000 1.295 75 Y HN -0.232 nan 8.280 nan 0.000 0.465 76 I N 2.207 122.869 120.570 0.154 0.000 2.498 76 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 76 I C -0.877 175.363 176.117 0.206 0.000 1.032 76 I CA -0.875 60.462 61.300 0.061 0.000 1.073 76 I CB 2.212 40.238 38.000 0.043 0.000 1.251 76 I HN 0.585 nan 8.210 nan 0.000 0.426 77 K N 5.991 126.493 120.400 0.169 0.000 2.235 77 K HA 0.571 4.891 4.320 -0.000 0.000 0.266 77 K C -0.808 175.858 176.600 0.111 0.000 0.980 77 K CA -0.719 55.684 56.287 0.194 0.000 0.849 77 K CB 1.258 33.906 32.500 0.247 0.000 1.098 77 K HN 0.519 nan 8.250 nan 0.000 0.445 78 R N 2.738 123.293 120.500 0.092 0.000 2.437 78 R HA 0.204 4.544 4.340 -0.000 0.000 0.310 78 R C -1.003 175.308 176.300 0.019 0.000 0.955 78 R CA -0.540 55.599 56.100 0.066 0.000 0.851 78 R CB 1.543 31.892 30.300 0.081 0.000 1.161 78 R HN 0.601 nan 8.270 nan 0.000 0.446 79 E N 3.220 123.427 120.200 0.011 0.000 2.114 79 E HA 0.275 4.625 4.350 -0.000 0.000 0.266 79 E C -0.848 175.713 176.600 -0.066 0.000 0.896 79 E CA -0.672 55.687 56.400 -0.068 0.000 0.750 79 E CB 1.742 31.477 29.700 0.059 0.000 1.121 79 E HN 0.292 nan 8.360 nan 0.000 0.413 80 V N -0.066 119.740 119.914 -0.180 0.000 2.876 80 V HA 0.530 4.650 4.120 -0.000 0.000 0.312 80 V C -0.319 175.623 176.094 -0.253 0.000 1.085 80 V CA -1.162 61.045 62.300 -0.155 0.000 0.945 80 V CB 2.069 33.813 31.823 -0.131 0.000 1.017 80 V HN 0.549 nan 8.190 nan 0.000 0.428 81 M N 3.255 122.753 119.600 -0.171 0.000 2.152 81 M HA 0.399 4.879 4.480 -0.000 0.000 0.354 81 M C -0.560 175.569 176.300 -0.285 0.000 1.173 81 M CA -0.346 54.866 55.300 -0.147 0.000 1.110 81 M CB 0.820 33.407 32.600 -0.022 0.000 1.366 81 M HN 0.581 nan 8.290 nan 0.000 0.415 82 V N 7.024 126.660 119.914 -0.463 0.000 2.439 82 V HA 0.176 4.296 4.120 -0.000 0.000 0.271 82 V C -1.809 174.110 176.094 -0.291 0.000 1.040 82 V CA -1.034 60.868 62.300 -0.663 0.000 1.002 82 V CB 0.369 31.688 31.823 -0.840 0.000 1.000 82 V HN 0.534 nan 8.190 nan 0.000 0.477 83 P HA 0.278 nan 4.420 nan 0.000 0.281 83 P C -0.386 176.924 177.300 0.016 0.000 1.252 83 P CA -0.390 62.689 63.100 -0.034 0.000 0.778 83 P CB 0.923 32.639 31.700 0.026 0.000 0.895 84 M N 3.133 122.752 119.600 0.031 0.000 2.219 84 M HA 0.234 4.714 4.480 -0.000 0.000 0.280 84 M C 2.131 178.475 176.300 0.073 0.000 1.189 84 M CA -0.418 54.920 55.300 0.064 0.000 1.010 84 M CB 0.161 32.797 32.600 0.059 0.000 1.422 84 M HN 0.402 nan 8.290 nan 0.000 0.504 85 R N 0.730 121.277 120.500 0.078 0.000 2.193 85 R HA -0.135 4.205 4.340 -0.000 0.000 0.229 85 R C 0.478 176.802 176.300 0.039 0.000 1.110 85 R CA 1.768 57.904 56.100 0.058 0.000 0.988 85 R CB -0.538 29.784 30.300 0.036 0.000 0.871 85 R HN 0.685 nan 8.270 nan 0.000 0.458 86 D N -0.650 119.773 120.400 0.038 0.000 2.342 86 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 86 D C 1.035 177.356 176.300 0.034 0.000 1.101 86 D CA 0.452 54.471 54.000 0.032 0.000 0.837 86 D CB 0.528 41.347 40.800 0.031 0.000 0.938 86 D HN 0.405 nan 8.370 nan 0.000 0.508 87 G N -0.082 108.741 108.800 0.038 0.000 2.199 87 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.254 87 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.254 87 G C 0.215 175.135 174.900 0.033 0.000 0.982 87 G CA 0.171 45.293 45.100 0.036 0.000 0.632 87 G HN 0.365 nan 8.290 nan 0.000 0.529 88 V N 1.618 121.553 119.914 0.035 0.000 2.555 88 V HA 0.381 4.501 4.120 -0.000 0.000 0.286 88 V C 0.718 176.827 176.094 0.025 0.000 1.044 88 V CA 0.228 62.549 62.300 0.035 0.000 1.026 88 V CB 1.320 33.170 31.823 0.045 0.000 0.981 88 V HN 0.347 nan 8.190 nan 0.000 0.480 89 K N 5.649 126.061 120.400 0.020 0.000 2.156 89 K HA 0.636 4.956 4.320 -0.000 0.000 0.271 89 K C -0.955 175.653 176.600 0.012 0.000 0.995 89 K CA -0.374 55.912 56.287 -0.002 0.000 0.890 89 K CB 1.363 33.862 32.500 -0.001 0.000 1.073 89 K HN 0.494 nan 8.250 nan 0.000 0.454 90 L N 3.194 124.405 121.223 -0.021 0.000 2.329 90 L HA 0.333 4.673 4.340 -0.000 0.000 0.279 90 L C -0.535 176.343 176.870 0.013 0.000 1.014 90 L CA -1.199 53.651 54.840 0.017 0.000 0.814 90 L CB 0.818 42.878 42.059 0.003 0.000 1.257 90 L HN 0.583 nan 8.230 nan 0.000 0.424 91 Y N 2.602 122.887 120.300 -0.026 0.000 2.496 91 Y HA 0.138 4.688 4.550 0.000 0.000 0.334 91 Y C -0.166 175.719 175.900 -0.025 0.000 1.080 91 Y CA 0.057 58.144 58.100 -0.022 0.000 1.355 91 Y CB 0.491 38.962 38.460 0.019 0.000 1.193 91 Y HN 0.473 nan 8.280 nan 0.000 0.523 92 T N 6.266 120.469 114.554 -0.586 0.000 2.848 92 T HA 0.501 4.851 4.350 -0.000 0.000 0.285 92 T C -1.101 173.298 174.700 -0.502 0.000 0.995 92 T CA -0.765 61.074 62.100 -0.435 0.000 0.970 92 T CB 1.173 69.847 68.868 -0.324 0.000 0.976 92 T HN 0.357 nan 8.240 nan 0.000 0.441 93 V N 4.257 124.006 119.914 -0.274 0.000 2.357 93 V HA 0.509 4.629 4.120 -0.000 0.000 0.284 93 V C -0.256 175.837 176.094 -0.001 0.000 1.018 93 V CA -0.806 61.416 62.300 -0.130 0.000 0.841 93 V CB 0.904 32.731 31.823 0.006 0.000 0.991 93 V HN 0.819 nan 8.190 nan 0.000 0.437 94 I N 5.127 125.707 120.570 0.017 0.000 2.354 94 I HA 0.381 4.551 4.170 -0.000 0.000 0.286 94 I C -0.414 175.754 176.117 0.085 0.000 1.007 94 I CA -0.649 60.684 61.300 0.056 0.000 1.167 94 I CB 1.843 39.889 38.000 0.077 0.000 1.320 94 I HN 0.321 nan 8.210 nan 0.000 0.458 95 V N 7.836 127.802 119.914 0.087 0.000 2.318 95 V HA 0.402 4.522 4.120 -0.000 0.000 0.271 95 V C 0.097 176.251 176.094 0.100 0.000 1.030 95 V CA -0.314 62.049 62.300 0.105 0.000 0.844 95 V CB 0.789 32.640 31.823 0.046 0.000 1.015 95 V HN 0.476 nan 8.190 nan 0.000 0.460 96 I N 7.720 128.371 120.570 0.134 0.000 2.378 96 I HA 0.446 4.616 4.170 -0.000 0.000 0.291 96 I C -2.369 173.833 176.117 0.142 0.000 0.992 96 I CA -2.164 59.200 61.300 0.106 0.000 1.154 96 I CB 2.281 40.327 38.000 0.076 0.000 1.315 96 I HN 0.404 nan 8.210 nan 0.000 0.448 97 P HA 0.140 nan 4.420 nan 0.000 0.274 97 P C -0.842 176.512 177.300 0.089 0.000 1.231 97 P CA -0.667 62.508 63.100 0.125 0.000 0.790 97 P CB 0.583 32.337 31.700 0.090 0.000 0.951 98 K N 2.513 122.963 120.400 0.083 0.000 2.401 98 K HA 0.056 4.376 4.320 -0.000 0.000 0.278 98 K C 0.536 177.154 176.600 0.031 0.000 1.018 98 K CA 0.274 56.587 56.287 0.044 0.000 0.981 98 K CB -0.353 32.166 32.500 0.031 0.000 0.933 98 K HN 0.435 nan 8.250 nan 0.000 0.477 99 N N -0.039 118.672 118.700 0.018 0.000 2.850 99 N HA -0.202 4.538 4.740 -0.000 0.000 0.249 99 N C -0.977 174.536 175.510 0.006 0.000 1.060 99 N CA 1.049 54.104 53.050 0.009 0.000 0.825 99 N CB -1.706 36.786 38.487 0.008 0.000 1.132 99 N HN 0.578 nan 8.380 nan 0.000 0.564 100 A N 1.098 123.924 122.820 0.010 0.000 2.450 100 A HA 0.453 4.773 4.320 -0.000 0.000 0.255 100 A C 0.839 178.414 177.584 -0.015 0.000 1.096 100 A CA 0.090 52.128 52.037 0.001 0.000 0.778 100 A CB 0.230 19.235 19.000 0.009 0.000 1.031 100 A HN 0.425 nan 8.150 nan 0.000 0.494 101 R N 1.477 121.961 120.500 -0.026 0.000 2.564 101 R HA 0.550 4.890 4.340 -0.000 0.000 0.284 101 R C -0.423 175.847 176.300 -0.051 0.000 1.031 101 R CA -0.554 55.525 56.100 -0.035 0.000 0.904 101 R CB 0.347 30.630 30.300 -0.029 0.000 1.199 101 R HN 0.695 nan 8.270 nan 0.000 0.443 102 N N 0.294 118.957 118.700 -0.061 0.000 2.721 102 N HA -0.263 4.477 4.740 -0.000 0.000 0.249 102 N C -0.904 174.543 175.510 -0.104 0.000 1.072 102 N CA 0.937 53.940 53.050 -0.078 0.000 0.710 102 N CB -0.546 37.900 38.487 -0.068 0.000 0.993 102 N HN 0.810 nan 8.380 nan 0.000 0.547 103 A N 0.409 123.162 122.820 -0.111 0.000 2.310 103 A HA 0.599 4.919 4.320 -0.000 0.000 0.299 103 A C -1.966 175.487 177.584 -0.219 0.000 1.147 103 A CA -1.308 50.631 52.037 -0.163 0.000 0.818 103 A CB 0.758 19.689 19.000 -0.115 0.000 1.096 103 A HN 0.052 nan 8.150 nan 0.000 0.495 104 P HA 0.247 nan 4.420 nan 0.000 0.272 104 P C -0.723 176.415 177.300 -0.270 0.000 1.223 104 P CA 0.196 63.063 63.100 -0.388 0.000 0.784 104 P CB 0.695 31.982 31.700 -0.688 0.000 0.923 105 I N 1.975 122.462 120.570 -0.139 0.000 2.377 105 I HA 0.231 4.401 4.170 -0.000 0.000 0.293 105 I C 0.162 176.281 176.117 0.002 0.000 0.987 105 I CA -0.894 60.371 61.300 -0.057 0.000 1.185 105 I CB 1.480 39.436 38.000 -0.073 0.000 1.341 105 I HN 0.154 nan 8.210 nan 0.000 0.455 106 L N 8.173 129.400 121.223 0.006 0.000 2.301 106 L HA 0.462 4.802 4.340 -0.000 0.000 0.278 106 L C -0.829 175.931 176.870 -0.184 0.000 1.022 106 L CA -0.370 54.419 54.840 -0.085 0.000 0.854 106 L CB 1.094 42.997 42.059 -0.260 0.000 1.226 106 L HN 0.469 nan 8.230 nan 0.000 0.429 107 L N 4.253 125.389 121.223 -0.146 0.000 2.325 107 L HA 0.783 5.123 4.340 -0.000 0.000 0.279 107 L C -0.547 176.202 176.870 -0.201 0.000 1.054 107 L CA 0.534 55.268 54.840 -0.177 0.000 0.804 107 L CB 1.881 43.876 42.059 -0.106 0.000 1.200 107 L HN 0.588 nan 8.230 nan 0.000 0.436 108 T N 4.623 119.016 114.554 -0.269 0.000 3.031 108 T HA 0.458 4.808 4.350 -0.000 0.000 0.305 108 T C -0.712 173.968 174.700 -0.034 0.000 0.985 108 T CA -0.572 61.413 62.100 -0.191 0.000 1.008 108 T CB 0.852 69.488 68.868 -0.386 0.000 1.005 108 T HN 0.593 nan 8.240 nan 0.000 0.444 109 R N 1.895 122.421 120.500 0.043 0.000 2.254 109 R HA 0.702 5.042 4.340 -0.000 0.000 0.318 109 R C -0.106 176.281 176.300 0.144 0.000 1.031 109 R CA -0.666 55.491 56.100 0.094 0.000 0.905 109 R CB 1.430 31.776 30.300 0.077 0.000 1.050 109 R HN 0.506 nan 8.270 nan 0.000 0.456 110 T N 2.301 116.952 114.554 0.161 0.000 2.923 110 T HA 0.375 4.725 4.350 -0.000 0.000 0.311 110 T C -2.436 172.288 174.700 0.040 0.000 1.183 110 T CA -1.847 60.320 62.100 0.111 0.000 1.020 110 T CB 1.909 70.906 68.868 0.215 0.000 1.165 110 T HN 0.343 nan 8.240 nan 0.000 0.482 111 P HA 0.256 nan 4.420 nan 0.000 0.266 111 P C -0.353 176.934 177.300 -0.023 0.000 1.381 111 P CA -0.084 62.962 63.100 -0.089 0.000 0.940 111 P CB -0.163 31.461 31.700 -0.126 0.000 1.435 112 Y N 0.505 120.868 120.300 0.106 0.000 2.756 112 Y HA 0.293 4.843 4.550 -0.000 0.000 0.300 112 Y C 0.636 176.368 175.900 -0.281 0.000 1.113 112 Y CA -1.593 56.511 58.100 0.007 0.000 1.291 112 Y CB -1.244 37.259 38.460 0.071 0.000 1.175 112 Y HN 0.113 nan 8.280 nan 0.000 0.534 113 N N 0.231 118.649 118.700 -0.470 0.000 2.411 113 N HA -0.210 4.530 4.740 -0.000 0.000 0.286 113 N C 0.856 176.187 175.510 -0.298 0.000 1.382 113 N CA 0.260 52.815 53.050 -0.825 0.000 0.630 113 N CB -0.225 37.509 38.487 -1.255 0.000 0.904 113 N HN 0.471 nan 8.380 nan 0.000 0.516 114 A N 3.852 126.622 122.820 -0.083 0.000 1.908 114 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 114 A C 1.969 179.554 177.584 0.002 0.000 1.181 114 A CA 2.015 54.077 52.037 0.042 0.000 0.627 114 A CB -0.296 18.855 19.000 0.251 0.000 0.818 114 A HN 0.787 nan 8.150 nan 0.000 0.445 115 K N -0.798 119.658 120.400 0.094 0.000 2.063 115 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 115 K C 1.898 178.469 176.600 -0.049 0.000 1.048 115 K CA 1.529 57.874 56.287 0.098 0.000 0.928 115 K CB -0.471 32.059 32.500 0.050 0.000 0.713 115 K HN 0.402 nan 8.250 nan 0.000 0.442 116 G N 0.122 108.840 108.800 -0.137 0.000 2.464 116 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 116 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 116 G C 1.395 176.172 174.900 -0.205 0.000 1.138 116 G CA -0.070 44.942 45.100 -0.147 0.000 0.793 116 G HN 0.113 nan 8.290 nan 0.000 0.539 117 R N 0.808 121.104 120.500 -0.339 0.000 2.115 117 R HA 0.091 4.431 4.340 -0.000 0.000 0.226 117 R C 2.296 178.208 176.300 -0.645 0.000 1.100 117 R CA 1.010 56.764 56.100 -0.577 0.000 0.980 117 R CB -0.553 29.152 30.300 -0.993 0.000 0.875 117 R HN 0.305 nan 8.270 nan 0.000 0.445 118 A N 0.842 123.367 122.820 -0.491 0.000 2.411 118 A HA 0.100 4.420 4.320 -0.000 0.000 0.251 118 A C 0.250 177.769 177.584 -0.109 0.000 1.317 118 A CA -0.003 51.905 52.037 -0.214 0.000 0.904 118 A CB -0.088 18.900 19.000 -0.021 0.000 0.993 118 A HN 0.070 nan 8.150 nan 0.000 0.504 119 N N -0.036 118.591 118.700 -0.121 0.000 2.646 119 N HA 0.116 4.856 4.740 -0.000 0.000 0.296 119 N C 0.949 176.427 175.510 -0.053 0.000 1.886 119 N CA -0.266 52.750 53.050 -0.057 0.000 0.855 119 N CB 0.175 38.644 38.487 -0.029 0.000 1.336 119 N HN 0.392 nan 8.380 nan 0.000 0.496 120 R N -0.357 120.108 120.500 -0.058 0.000 2.096 120 R HA -0.021 4.319 4.340 -0.000 0.000 0.240 120 R C -0.206 176.087 176.300 -0.011 0.000 1.139 120 R CA 1.317 57.398 56.100 -0.032 0.000 0.952 120 R CB 0.188 30.476 30.300 -0.020 0.000 0.854 120 R HN -0.002 nan 8.270 nan 0.000 0.436 121 V N 4.093 124.004 119.914 -0.006 0.000 2.284 121 V HA 0.238 4.358 4.120 -0.000 0.000 0.274 121 V C -2.281 173.826 176.094 0.021 0.000 1.023 121 V CA -1.816 60.491 62.300 0.011 0.000 0.808 121 V CB 1.426 33.260 31.823 0.018 0.000 1.035 121 V HN 0.200 nan 8.190 nan 0.000 0.445 122 P HA -0.079 nan 4.420 nan 0.000 0.255 122 P C 0.339 177.673 177.300 0.056 0.000 1.151 122 P CA 0.763 63.882 63.100 0.031 0.000 0.767 122 P CB -0.143 31.571 31.700 0.023 0.000 0.736 123 N N -0.396 118.355 118.700 0.086 0.000 2.716 123 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 123 N C 0.321 175.916 175.510 0.142 0.000 1.033 123 N CA 0.460 53.586 53.050 0.125 0.000 0.727 123 N CB -1.253 37.283 38.487 0.082 0.000 0.950 123 N HN 0.625 nan 8.380 nan 0.000 0.541 124 A N -0.175 122.742 122.820 0.162 0.000 2.429 124 A HA 0.275 4.595 4.320 -0.000 0.000 0.242 124 A C 1.411 179.135 177.584 0.232 0.000 1.088 124 A CA -0.053 52.077 52.037 0.154 0.000 0.784 124 A CB 0.303 19.367 19.000 0.107 0.000 1.038 124 A HN 0.355 nan 8.150 nan 0.000 0.501 125 L N -0.049 121.269 121.223 0.157 0.000 2.341 125 L HA 0.049 4.389 4.340 -0.000 0.000 0.214 125 L C 1.113 178.109 176.870 0.211 0.000 1.115 125 L CA 1.233 56.154 54.840 0.134 0.000 0.820 125 L CB -0.708 41.392 42.059 0.067 0.000 0.944 125 L HN 0.904 nan 8.230 nan 0.000 0.452 126 T N -4.671 110.020 114.554 0.229 0.000 2.908 126 T HA 0.285 4.635 4.350 -0.000 0.000 0.290 126 T C 0.572 175.359 174.700 0.145 0.000 1.034 126 T CA -0.671 61.556 62.100 0.211 0.000 1.010 126 T CB 2.465 71.393 68.868 0.101 0.000 1.068 126 T HN -0.045 nan 8.240 nan 0.000 0.481 127 M N 0.469 120.121 119.600 0.086 0.000 2.229 127 M HA 0.008 4.488 4.480 -0.000 0.000 0.264 127 M C 2.357 178.579 176.300 -0.130 0.000 1.063 127 M CA 1.365 56.538 55.300 -0.211 0.000 1.114 127 M CB -0.196 32.360 32.600 -0.074 0.000 1.387 127 M HN 0.731 nan 8.290 nan 0.000 0.420 128 R N 0.566 121.045 120.500 -0.034 0.000 2.096 128 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 128 R C 1.675 177.958 176.300 -0.028 0.000 1.127 128 R CA 2.041 58.128 56.100 -0.022 0.000 0.968 128 R CB -0.298 30.001 30.300 -0.002 0.000 0.861 128 R HN 0.500 nan 8.270 nan 0.000 0.440 129 E N -0.954 119.234 120.200 -0.019 0.000 2.046 129 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 129 E C 1.882 178.461 176.600 -0.035 0.000 0.982 129 E CA 1.206 57.600 56.400 -0.010 0.000 0.800 129 E CB -0.105 29.607 29.700 0.020 0.000 0.756 129 E HN 0.112 nan 8.360 nan 0.000 0.449 130 V N 1.347 121.209 119.914 -0.086 0.000 2.594 130 V HA -0.130 3.990 4.120 -0.000 0.000 0.253 130 V C 1.010 177.036 176.094 -0.113 0.000 1.069 130 V CA 1.044 63.266 62.300 -0.129 0.000 1.082 130 V CB -0.076 31.574 31.823 -0.288 0.000 0.680 130 V HN 0.075 nan 8.190 nan 0.000 0.469 131 L N 0.017 121.183 121.223 -0.095 0.000 2.375 131 L HA 0.408 4.748 4.340 -0.000 0.000 0.268 131 L C -2.145 174.721 176.870 -0.006 0.000 1.058 131 L CA -1.997 52.828 54.840 -0.025 0.000 0.803 131 L CB 0.925 42.987 42.059 0.006 0.000 1.212 131 L HN -0.009 nan 8.230 nan 0.000 0.451 132 P HA -0.016 nan 4.420 nan 0.000 0.271 132 P C -0.012 177.275 177.300 -0.022 0.000 1.244 132 P CA -0.228 62.873 63.100 0.003 0.000 0.793 132 P CB 0.506 32.218 31.700 0.021 0.000 0.984 133 Q N 0.897 120.660 119.800 -0.061 0.000 2.084 133 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 133 Q C 1.963 177.899 176.000 -0.107 0.000 0.978 133 Q CA 2.105 57.861 55.803 -0.079 0.000 0.844 133 Q CB -1.037 27.658 28.738 -0.072 0.000 0.898 133 Q HN 0.692 nan 8.270 nan 0.000 0.426 134 G N -0.392 108.301 108.800 -0.178 0.000 2.708 134 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.210 134 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.210 134 G C 0.302 175.215 174.900 0.022 0.000 1.141 134 G CA 0.732 45.768 45.100 -0.108 0.000 0.788 134 G HN 0.343 nan 8.290 nan 0.000 0.531 135 D N 0.295 120.712 120.400 0.028 0.000 2.398 135 D HA 0.050 4.690 4.640 -0.000 0.000 0.210 135 D C 1.951 178.279 176.300 0.046 0.000 1.094 135 D CA 0.291 54.346 54.000 0.092 0.000 0.839 135 D CB 0.202 41.041 40.800 0.066 0.000 0.963 135 D HN 0.351 nan 8.370 nan 0.000 0.506 136 D N 0.997 121.390 120.400 -0.012 0.000 2.157 136 D HA -0.217 4.423 4.640 -0.000 0.000 0.191 136 D C 1.969 178.208 176.300 -0.101 0.000 1.004 136 D CA 1.939 55.916 54.000 -0.038 0.000 0.854 136 D CB -0.864 39.924 40.800 -0.021 0.000 0.936 136 D HN 0.268 nan 8.370 nan 0.000 0.446 137 V N -2.576 117.194 119.914 -0.240 0.000 2.626 137 V HA -0.061 4.059 4.120 -0.000 0.000 0.252 137 V C 2.375 178.106 176.094 -0.605 0.000 1.067 137 V CA 1.120 63.143 62.300 -0.462 0.000 1.081 137 V CB -1.266 30.135 31.823 -0.703 0.000 0.686 137 V HN 0.006 nan 8.190 nan 0.000 0.468 138 F N 0.184 119.913 119.950 -0.369 0.000 2.512 138 F HA 0.176 4.703 4.527 -0.000 0.000 0.296 138 F C 2.295 178.008 175.800 -0.144 0.000 1.110 138 F CA 0.977 58.704 58.000 -0.455 0.000 1.446 138 F CB -0.476 38.141 39.000 -0.638 0.000 1.092 138 F HN -0.024 nan 8.300 nan 0.000 0.554 139 V N -0.332 119.605 119.914 0.039 0.000 2.488 139 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 139 V C 2.069 178.184 176.094 0.035 0.000 1.046 139 V CA 1.655 63.985 62.300 0.050 0.000 1.053 139 V CB -0.414 31.419 31.823 0.017 0.000 0.679 139 V HN 0.228 nan 8.190 nan 0.000 0.458 140 E N 0.338 120.528 120.200 -0.016 0.000 2.204 140 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 140 E C 2.168 178.769 176.600 0.001 0.000 0.989 140 E CA 1.056 57.443 56.400 -0.021 0.000 0.824 140 E CB -0.297 29.367 29.700 -0.060 0.000 0.756 140 E HN 0.610 nan 8.360 nan 0.000 0.477 141 G N -0.713 108.100 108.800 0.020 0.000 2.880 141 G HA2 0.113 4.073 3.960 -0.000 0.000 0.209 141 G HA3 0.113 4.073 3.960 -0.000 0.000 0.209 141 G C 0.967 175.999 174.900 0.221 0.000 1.157 141 G CA 0.183 45.359 45.100 0.127 0.000 0.779 141 G HN 0.384 nan 8.290 nan 0.000 0.539 142 G N -1.061 107.851 108.800 0.187 0.000 2.198 142 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 142 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 142 G C 0.031 175.032 174.900 0.168 0.000 1.042 142 G CA -0.061 45.123 45.100 0.139 0.000 0.791 142 G HN 0.347 nan 8.290 nan 0.000 0.502 143 Y N -0.829 119.502 120.300 0.050 0.000 2.300 143 Y HA 0.593 5.143 4.550 -0.000 0.000 0.328 143 Y C 1.394 177.302 175.900 0.013 0.000 1.270 143 Y CA -0.739 57.388 58.100 0.046 0.000 1.352 143 Y CB 0.692 39.211 38.460 0.098 0.000 1.286 143 Y HN 0.181 nan 8.280 nan 0.000 0.536 144 I N 3.322 123.951 120.570 0.099 0.000 2.315 144 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 144 I C -0.216 175.926 176.117 0.043 0.000 1.006 144 I CA -0.706 60.625 61.300 0.052 0.000 1.265 144 I CB 0.863 38.865 38.000 0.003 0.000 1.387 144 I HN 0.344 nan 8.210 nan 0.000 0.475 145 R N 5.579 126.096 120.500 0.028 0.000 2.297 145 R HA 0.585 4.925 4.340 -0.000 0.000 0.308 145 R C -1.450 174.826 176.300 -0.039 0.000 1.029 145 R CA -0.407 55.672 56.100 -0.034 0.000 0.929 145 R CB 1.071 31.373 30.300 0.002 0.000 1.046 145 R HN 0.380 nan 8.270 nan 0.000 0.461 146 V N 5.912 125.738 119.914 -0.146 0.000 2.483 146 V HA 0.482 4.602 4.120 -0.000 0.000 0.297 146 V C -1.083 174.872 176.094 -0.231 0.000 1.027 146 V CA -0.612 61.624 62.300 -0.106 0.000 0.855 146 V CB 1.392 33.171 31.823 -0.073 0.000 0.995 146 V HN 0.581 nan 8.190 nan 0.000 0.424 147 F N 3.359 123.293 119.950 -0.026 0.000 2.477 147 F HA 0.594 5.121 4.527 0.000 0.000 0.335 147 F C 0.129 175.915 175.800 -0.023 0.000 1.130 147 F CA -0.247 57.748 58.000 -0.009 0.000 0.948 147 F CB 1.926 40.930 39.000 0.007 0.000 1.154 147 F HN 0.433 nan 8.300 nan 0.000 0.439 148 Q N 2.978 122.883 119.800 0.175 0.000 2.353 148 Q HA 0.300 4.640 4.340 -0.000 0.000 0.268 148 Q C -1.541 174.554 176.000 0.159 0.000 1.045 148 Q CA -0.945 54.922 55.803 0.105 0.000 0.811 148 Q CB 1.784 30.538 28.738 0.027 0.000 1.305 148 Q HN 0.460 nan 8.270 nan 0.000 0.447 149 D N 3.894 124.406 120.400 0.186 0.000 2.312 149 D HA 0.208 4.848 4.640 -0.000 0.000 0.252 149 D C 0.295 176.685 176.300 0.150 0.000 1.150 149 D CA -0.057 54.057 54.000 0.191 0.000 0.870 149 D CB 0.559 41.511 40.800 0.254 0.000 1.153 149 D HN 0.540 nan 8.370 nan 0.000 0.457 150 I N -0.692 119.963 120.570 0.142 0.000 3.004 150 I HA 0.212 4.382 4.170 -0.000 0.000 0.287 150 I C 0.849 177.061 176.117 0.158 0.000 1.144 150 I CA -0.847 60.545 61.300 0.153 0.000 1.353 150 I CB 0.629 38.747 38.000 0.197 0.000 1.417 150 I HN 0.151 nan 8.210 nan 0.000 0.602 151 R N 3.079 123.682 120.500 0.171 0.000 2.526 151 R HA 0.060 4.400 4.340 -0.000 0.000 0.319 151 R C 1.042 177.472 176.300 0.218 0.000 0.888 151 R CA 1.347 57.549 56.100 0.170 0.000 1.127 151 R CB -0.620 29.777 30.300 0.161 0.000 0.888 151 R HN 1.173 nan 8.270 nan 0.000 0.410 152 G N 3.046 111.934 108.800 0.147 0.000 2.176 152 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.253 152 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.253 152 G C -0.373 174.516 174.900 -0.019 0.000 0.979 152 G CA 0.160 45.337 45.100 0.128 0.000 0.641 152 G HN 0.503 nan 8.290 nan 0.000 0.530 153 K N -0.524 119.845 120.400 -0.052 0.000 2.270 153 K HA 0.672 4.992 4.320 -0.000 0.000 0.255 153 K C 0.867 177.500 176.600 0.056 0.000 0.936 153 K CA -0.876 55.330 56.287 -0.135 0.000 0.809 153 K CB 1.273 33.675 32.500 -0.164 0.000 1.131 153 K HN 0.208 nan 8.250 nan 0.000 0.427 154 Y N 0.321 120.556 120.300 -0.109 0.000 2.798 154 Y HA -0.444 4.106 4.550 0.000 0.000 0.472 154 Y C 1.735 177.561 175.900 -0.123 0.000 1.128 154 Y CA 2.158 60.196 58.100 -0.105 0.000 2.775 154 Y CB -1.469 36.933 38.460 -0.097 0.000 1.152 154 Y HN 0.762 nan 8.280 nan 0.000 0.616 155 G N 0.057 108.864 108.800 0.013 0.000 2.920 155 G HA2 0.258 4.218 3.960 -0.000 0.000 0.208 155 G HA3 0.258 4.218 3.960 -0.000 0.000 0.208 155 G C 0.190 175.120 174.900 0.050 0.000 1.159 155 G CA 0.747 45.764 45.100 -0.138 0.000 0.784 155 G HN 0.278 nan 8.290 nan 0.000 0.535 156 S N -0.036 115.724 115.700 0.099 0.000 2.646 156 S HA 0.428 4.897 4.470 -0.000 0.000 0.276 156 S C 0.272 174.909 174.600 0.061 0.000 1.222 156 S CA -0.528 57.734 58.200 0.104 0.000 1.014 156 S CB 1.556 64.828 63.200 0.119 0.000 0.991 156 S HN 0.425 nan 8.310 nan 0.000 0.533 157 Q N 0.194 120.030 119.800 0.060 0.000 2.239 157 Q HA 0.679 5.019 4.340 -0.000 0.000 0.193 157 Q C 0.574 176.610 176.000 0.060 0.000 1.004 157 Q CA -0.523 55.308 55.803 0.047 0.000 1.040 157 Q CB 0.585 29.347 28.738 0.040 0.000 1.149 157 Q HN 0.965 nan 8.270 nan 0.000 0.535 158 G N 0.533 109.366 108.800 0.055 0.000 2.728 158 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.294 158 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.294 158 G C -1.436 173.512 174.900 0.081 0.000 1.342 158 G CA -0.687 44.453 45.100 0.066 0.000 0.866 158 G HN 0.561 nan 8.290 nan 0.000 0.534 159 D N -0.356 120.097 120.400 0.088 0.000 2.210 159 D HA 0.477 5.117 4.640 -0.000 0.000 0.249 159 D C -0.356 176.041 176.300 0.161 0.000 1.062 159 D CA 0.095 54.155 54.000 0.101 0.000 0.891 159 D CB 1.462 42.302 40.800 0.067 0.000 1.186 159 D HN 0.445 nan 8.370 nan 0.000 0.432 160 Y N 1.769 122.087 120.300 0.030 0.000 2.326 160 Y HA 0.379 4.929 4.550 -0.000 0.000 0.337 160 Y C -1.001 174.921 175.900 0.037 0.000 1.023 160 Y CA -0.628 57.493 58.100 0.036 0.000 1.143 160 Y CB 0.838 39.310 38.460 0.021 0.000 1.183 160 Y HN 0.032 nan 8.280 nan 0.000 0.485 161 V N 8.609 128.216 119.914 -0.511 0.000 2.407 161 V HA 0.196 4.316 4.120 -0.000 0.000 0.291 161 V C -0.139 175.512 176.094 -0.738 0.000 1.018 161 V CA -1.056 60.968 62.300 -0.461 0.000 0.842 161 V CB 1.207 32.950 31.823 -0.134 0.000 0.996 161 V HN 0.883 nan 8.190 nan 0.000 0.426 162 M N 6.052 125.154 119.600 -0.829 0.000 2.408 162 M HA 0.134 4.614 4.480 -0.000 0.000 0.363 162 M C 0.951 176.991 176.300 -0.434 0.000 1.636 162 M CA 1.212 56.052 55.300 -0.766 0.000 1.029 162 M CB -0.633 31.239 32.600 -1.213 0.000 2.068 162 M HN 1.198 nan 8.290 nan 0.000 0.466 163 T N 2.476 116.860 114.554 -0.284 0.000 3.626 163 T HA -0.257 4.093 4.350 -0.000 0.000 0.393 163 T C 0.104 174.831 174.700 0.045 0.000 0.765 163 T CA 0.967 62.855 62.100 -0.354 0.000 2.006 163 T CB -1.701 66.928 68.868 -0.398 0.000 1.739 163 T HN 1.010 nan 8.240 nan 0.000 0.720 164 R N 1.561 122.152 120.500 0.152 0.000 2.526 164 R HA 0.124 4.464 4.340 -0.000 0.000 0.319 164 R C -2.001 174.449 176.300 0.251 0.000 0.888 164 R CA -0.754 55.450 56.100 0.173 0.000 1.127 164 R CB 0.189 30.589 30.300 0.167 0.000 0.888 164 R HN 0.377 nan 8.270 nan 0.000 0.410 165 P HA 0.069 nan 4.420 nan 0.000 0.269 165 P C -2.415 174.950 177.300 0.109 0.000 1.209 165 P CA -1.025 62.137 63.100 0.104 0.000 0.776 165 P CB 0.385 32.079 31.700 -0.010 0.000 0.876 166 P HA 0.035 nan 4.420 nan 0.000 0.274 166 P C -0.413 176.943 177.300 0.093 0.000 1.256 166 P CA -0.098 63.065 63.100 0.104 0.000 0.795 166 P CB 0.211 31.969 31.700 0.097 0.000 1.038 167 H N -0.367 118.721 119.070 0.030 0.000 3.157 167 H HA 0.359 4.915 4.556 0.000 0.000 0.299 167 H C 0.784 176.119 175.328 0.012 0.000 0.961 167 H CA 2.186 58.245 56.048 0.018 0.000 1.428 167 H CB -0.589 29.179 29.762 0.010 0.000 1.459 167 H HN 0.744 nan 8.280 nan 0.000 0.566 168 G N 3.974 112.473 108.800 -0.502 0.000 2.512 168 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.181 168 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.181 168 G C -2.021 172.722 174.900 -0.263 0.000 1.173 168 G CA -0.267 44.615 45.100 -0.363 0.000 0.988 168 G HN 0.462 nan 8.290 nan 0.000 0.485 169 P HA 0.124 nan 4.420 nan 0.000 0.225 169 P C 1.470 178.719 177.300 -0.086 0.000 1.156 169 P CA 0.835 63.871 63.100 -0.107 0.000 0.787 169 P CB 0.210 31.860 31.700 -0.084 0.000 0.802 170 L N -1.797 119.371 121.223 -0.092 0.000 2.585 170 L HA 0.251 4.591 4.340 -0.000 0.000 0.226 170 L C 0.654 177.502 176.870 -0.037 0.000 1.113 170 L CA 0.159 54.961 54.840 -0.064 0.000 0.876 170 L CB -0.290 41.701 42.059 -0.115 0.000 1.072 170 L HN -0.057 nan 8.230 nan 0.000 0.468 171 N N 0.102 118.769 118.700 -0.055 0.000 2.701 171 N HA 0.177 4.917 4.740 -0.000 0.000 0.258 171 N C -2.415 173.072 175.510 -0.037 0.000 1.262 171 N CA -1.173 51.870 53.050 -0.012 0.000 0.780 171 N CB 1.536 40.044 38.487 0.034 0.000 1.380 171 N HN -0.258 nan 8.380 nan 0.000 0.548 172 P HA 0.085 nan 4.420 nan 0.000 0.255 172 P C 0.368 177.744 177.300 0.127 0.000 1.248 172 P CA 0.217 63.324 63.100 0.010 0.000 0.807 172 P CB -0.091 31.608 31.700 -0.001 0.000 1.150 173 T N -2.541 112.093 114.554 0.132 0.000 2.754 173 T HA 0.210 4.560 4.350 -0.000 0.000 0.286 173 T C 1.242 176.023 174.700 0.135 0.000 0.997 173 T CA -0.454 61.714 62.100 0.114 0.000 0.982 173 T CB 0.953 69.869 68.868 0.079 0.000 1.027 173 T HN -0.202 nan 8.240 nan 0.000 0.529 174 K N 0.528 120.958 120.400 0.051 0.000 2.432 174 K HA 0.078 4.398 4.320 -0.000 0.000 0.196 174 K C 1.239 177.822 176.600 -0.028 0.000 1.038 174 K CA 0.587 56.860 56.287 -0.024 0.000 0.986 174 K CB -0.368 32.114 32.500 -0.030 0.000 0.782 174 K HN 0.917 nan 8.250 nan 0.000 0.485 175 T N -0.585 113.988 114.554 0.031 0.000 2.930 175 T HA 0.529 4.879 4.350 -0.000 0.000 0.290 175 T C -0.663 174.084 174.700 0.079 0.000 1.052 175 T CA -0.881 61.244 62.100 0.041 0.000 1.017 175 T CB 2.618 71.516 68.868 0.049 0.000 1.137 175 T HN 0.055 nan 8.240 nan 0.000 0.511 176 D N -0.548 119.901 120.400 0.082 0.000 2.970 176 D HA 0.253 4.893 4.640 -0.000 0.000 0.344 176 D C 0.411 176.772 176.300 0.100 0.000 1.365 176 D CA -0.616 53.446 54.000 0.103 0.000 0.910 176 D CB -0.000 40.868 40.800 0.113 0.000 1.445 176 D HN 0.373 nan 8.370 nan 0.000 0.532 177 E N -0.589 119.670 120.200 0.098 0.000 2.358 177 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 177 E C 1.360 177.993 176.600 0.054 0.000 1.010 177 E CA 0.907 57.351 56.400 0.073 0.000 0.856 177 E CB -0.234 29.480 29.700 0.024 0.000 0.795 177 E HN 0.531 nan 8.360 nan 0.000 0.504 178 T N 0.517 115.110 114.554 0.065 0.000 2.809 178 T HA -0.097 4.253 4.350 -0.000 0.000 0.260 178 T C 2.094 176.881 174.700 0.146 0.000 1.039 178 T CA 1.911 64.066 62.100 0.090 0.000 1.141 178 T CB -0.280 68.637 68.868 0.082 0.000 0.869 178 T HN 0.375 nan 8.240 nan 0.000 0.437 179 T N 0.508 115.130 114.554 0.112 0.000 2.904 179 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 179 T C 1.525 176.335 174.700 0.184 0.000 1.059 179 T CA 1.063 63.238 62.100 0.125 0.000 1.137 179 T CB -0.412 68.472 68.868 0.026 0.000 0.879 179 T HN 0.102 nan 8.240 nan 0.000 0.467 180 D N 1.946 122.428 120.400 0.138 0.000 2.144 180 D HA 0.105 4.745 4.640 -0.000 0.000 0.200 180 D C 2.376 178.753 176.300 0.129 0.000 0.978 180 D CA 1.353 55.427 54.000 0.124 0.000 0.833 180 D CB -0.524 40.338 40.800 0.103 0.000 0.961 180 D HN 0.572 nan 8.370 nan 0.000 0.470 181 A N -0.632 122.267 122.820 0.132 0.000 1.970 181 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 181 A C 2.115 179.776 177.584 0.129 0.000 1.170 181 A CA 0.691 52.787 52.037 0.098 0.000 0.645 181 A CB -0.980 18.064 19.000 0.074 0.000 0.816 181 A HN 0.350 nan 8.150 nan 0.000 0.447 182 W N 1.130 122.456 121.300 0.043 0.000 2.379 182 W HA -0.135 4.525 4.660 -0.000 0.000 0.307 182 W C 1.388 177.942 176.519 0.059 0.000 1.200 182 W CA 1.749 59.145 57.345 0.085 0.000 1.297 182 W CB 0.137 29.662 29.460 0.109 0.000 1.140 182 W HN 0.346 nan 8.180 nan 0.000 0.507 183 D N -0.923 119.747 120.400 0.449 0.000 2.178 183 D HA -0.147 4.493 4.640 -0.000 0.000 0.202 183 D C 2.070 178.465 176.300 0.158 0.000 0.974 183 D CA 1.875 56.077 54.000 0.336 0.000 0.841 183 D CB -0.672 40.282 40.800 0.257 0.000 0.953 183 D HN 0.148 nan 8.370 nan 0.000 0.478 184 T N 0.515 115.116 114.554 0.080 0.000 2.737 184 T HA -0.068 4.282 4.350 -0.000 0.000 0.265 184 T C 2.290 176.978 174.700 -0.020 0.000 1.038 184 T CA 0.617 62.734 62.100 0.029 0.000 1.144 184 T CB -0.225 68.643 68.868 0.000 0.000 0.866 184 T HN -0.038 nan 8.240 nan 0.000 0.434 185 V N 1.810 121.616 119.914 -0.180 0.000 2.343 185 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 185 V C 2.339 178.076 176.094 -0.595 0.000 1.051 185 V CA 2.037 64.108 62.300 -0.381 0.000 1.036 185 V CB -0.637 30.890 31.823 -0.494 0.000 0.654 185 V HN 0.507 nan 8.190 nan 0.000 0.451 186 D N -1.487 118.471 120.400 -0.737 0.000 2.144 186 D HA -0.259 4.381 4.640 -0.000 0.000 0.199 186 D C 1.883 178.146 176.300 -0.062 0.000 0.984 186 D CA 1.504 55.176 54.000 -0.546 0.000 0.834 186 D CB -0.175 40.503 40.800 -0.203 0.000 0.955 186 D HN 0.571 nan 8.370 nan 0.000 0.465 187 W N 0.413 121.645 121.300 -0.114 0.000 2.407 187 W HA 0.015 4.675 4.660 0.000 0.000 0.305 187 W C 1.884 178.367 176.519 -0.060 0.000 1.196 187 W CA 0.874 58.210 57.345 -0.016 0.000 1.311 187 W CB -0.246 29.209 29.460 -0.008 0.000 1.135 187 W HN -0.025 nan 8.180 nan 0.000 0.514 188 L N 0.482 121.832 121.223 0.212 0.000 2.042 188 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 188 L C 2.409 179.174 176.870 -0.175 0.000 1.076 188 L CA 1.677 56.557 54.840 0.067 0.000 0.749 188 L CB -1.315 40.780 42.059 0.059 0.000 0.893 188 L HN 0.073 nan 8.230 nan 0.000 0.432 189 V N -4.541 115.208 119.914 -0.276 0.000 3.380 189 V HA -0.160 3.960 4.120 -0.000 0.000 0.268 189 V C 1.418 177.250 176.094 -0.437 0.000 1.168 189 V CA 1.345 63.427 62.300 -0.363 0.000 1.156 189 V CB -0.919 30.651 31.823 -0.421 0.000 0.785 189 V HN 0.502 nan 8.190 nan 0.000 0.487 190 H N -0.242 118.667 119.070 -0.268 0.000 3.046 190 H HA 0.365 4.921 4.556 -0.000 0.000 0.262 190 H C 1.153 176.230 175.328 -0.419 0.000 1.044 190 H CA 0.574 56.450 56.048 -0.288 0.000 1.209 190 H CB 0.470 30.078 29.762 -0.257 0.000 1.507 190 H HN 0.473 nan 8.280 nan 0.000 0.507 191 N N -0.231 118.160 118.700 -0.516 0.000 2.159 191 N HA 0.123 4.863 4.740 -0.000 0.000 0.217 191 N C -1.067 174.201 175.510 -0.403 0.000 1.223 191 N CA 0.083 52.728 53.050 -0.674 0.000 0.896 191 N CB 2.217 39.748 38.487 -1.594 0.000 1.064 191 N HN -0.101 nan 8.380 nan 0.000 0.518 192 V N 2.031 121.792 119.914 -0.256 0.000 2.289 192 V HA 0.281 4.401 4.120 -0.000 0.000 0.272 192 V C -1.793 174.237 176.094 -0.106 0.000 1.026 192 V CA -1.237 60.987 62.300 -0.126 0.000 0.807 192 V CB 1.590 33.372 31.823 -0.069 0.000 1.044 192 V HN -0.034 nan 8.190 nan 0.000 0.443 193 P HA -0.067 nan 4.420 nan 0.000 0.220 193 P C 1.089 178.355 177.300 -0.057 0.000 1.148 193 P CA 0.834 63.892 63.100 -0.069 0.000 0.803 193 P CB 0.445 32.112 31.700 -0.055 0.000 0.782 194 E N -0.516 119.656 120.200 -0.047 0.000 2.482 194 E HA -0.008 4.342 4.350 -0.000 0.000 0.196 194 E C 0.836 177.403 176.600 -0.055 0.000 1.047 194 E CA 0.185 56.562 56.400 -0.040 0.000 0.869 194 E CB -0.271 29.416 29.700 -0.020 0.000 0.836 194 E HN 0.266 nan 8.360 nan 0.000 0.520 195 S N 0.677 116.335 115.700 -0.071 0.000 2.687 195 S HA 0.184 4.654 4.470 -0.000 0.000 0.283 195 S C 0.680 175.220 174.600 -0.100 0.000 1.170 195 S CA -0.785 57.361 58.200 -0.091 0.000 1.008 195 S CB 1.000 64.142 63.200 -0.098 0.000 1.026 195 S HN 0.137 nan 8.310 nan 0.000 0.541 196 N N 0.308 118.940 118.700 -0.114 0.000 2.270 196 N HA 0.206 4.946 4.740 -0.000 0.000 0.198 196 N C 1.150 176.592 175.510 -0.115 0.000 1.117 196 N CA 0.381 53.366 53.050 -0.108 0.000 0.845 196 N CB -0.355 38.065 38.487 -0.111 0.000 0.980 196 N HN 1.368 nan 8.380 nan 0.000 0.486 197 G N 0.386 109.108 108.800 -0.131 0.000 2.148 197 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.254 197 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.254 197 G C -0.358 174.457 174.900 -0.141 0.000 0.981 197 G CA -0.043 44.967 45.100 -0.150 0.000 0.670 197 G HN 0.495 nan 8.290 nan 0.000 0.528 198 R N -0.225 120.195 120.500 -0.135 0.000 2.343 198 R HA 0.570 4.910 4.340 -0.000 0.000 0.320 198 R C -0.486 175.733 176.300 -0.135 0.000 0.956 198 R CA -0.673 55.350 56.100 -0.129 0.000 0.836 198 R CB 2.300 32.526 30.300 -0.123 0.000 1.151 198 R HN 0.090 nan 8.270 nan 0.000 0.450 199 V N 1.736 121.570 119.914 -0.134 0.000 2.513 199 V HA 0.633 4.753 4.120 -0.000 0.000 0.299 199 V C 0.476 176.488 176.094 -0.138 0.000 1.035 199 V CA -0.791 61.435 62.300 -0.124 0.000 0.889 199 V CB 1.985 33.728 31.823 -0.133 0.000 0.988 199 V HN 0.940 nan 8.190 nan 0.000 0.440 200 G N 3.439 112.181 108.800 -0.097 0.000 2.513 200 G HA2 0.706 4.666 3.960 -0.000 0.000 0.317 200 G HA3 0.706 4.666 3.960 -0.000 0.000 0.317 200 G C -1.072 173.842 174.900 0.023 0.000 1.277 200 G CA -0.652 44.364 45.100 -0.140 0.000 0.955 200 G HN 0.546 nan 8.290 nan 0.000 0.484 201 M N 1.579 121.210 119.600 0.051 0.000 2.383 201 M HA 0.581 5.061 4.480 -0.000 0.000 0.325 201 M C -0.231 176.185 176.300 0.193 0.000 1.092 201 M CA -0.449 54.898 55.300 0.077 0.000 0.961 201 M CB 2.588 35.190 32.600 0.003 0.000 1.672 201 M HN 0.622 nan 8.290 nan 0.000 0.438 202 T N 1.620 116.232 114.554 0.096 0.000 2.731 202 T HA 0.928 5.278 4.350 -0.000 0.000 0.300 202 T C -1.255 173.468 174.700 0.039 0.000 1.283 202 T CA 0.034 62.190 62.100 0.094 0.000 1.005 202 T CB 2.076 71.025 68.868 0.136 0.000 1.420 202 T HN 0.997 nan 8.240 nan 0.000 0.503 203 G N 0.782 109.619 108.800 0.062 0.000 2.329 203 G HA2 0.418 4.378 3.960 -0.000 0.000 0.308 203 G HA3 0.418 4.378 3.960 -0.000 0.000 0.308 203 G C -1.201 173.775 174.900 0.126 0.000 1.587 203 G CA 0.038 45.202 45.100 0.106 0.000 0.978 203 G HN 0.770 nan 8.290 nan 0.000 0.685 204 S N -0.284 115.514 115.700 0.164 0.000 2.621 204 S HA 0.867 5.337 4.470 -0.000 0.000 0.302 204 S C 1.111 175.880 174.600 0.282 0.000 1.093 204 S CA 1.247 59.539 58.200 0.152 0.000 1.017 204 S CB 1.455 64.683 63.200 0.045 0.000 1.077 204 S HN 2.405 nan 8.310 nan 0.000 0.517 205 S N 1.588 117.479 115.700 0.318 0.000 4.139 205 S HA -0.316 4.154 4.470 -0.000 0.000 0.603 205 S C 1.464 176.325 174.600 0.434 0.000 1.897 205 S CA 1.554 60.054 58.200 0.500 0.000 4.241 205 S CB -1.825 61.776 63.200 0.669 0.000 0.221 205 S HN 1.675 nan 8.310 nan 0.000 0.488 206 A N 0.727 123.826 122.820 0.465 0.000 2.067 206 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 206 A C 1.685 179.469 177.584 0.333 0.000 1.156 206 A CA 1.620 53.860 52.037 0.338 0.000 0.683 206 A CB -0.564 18.524 19.000 0.147 0.000 0.808 206 A HN 0.751 nan 8.150 nan 0.000 0.455 207 E N -0.504 119.881 120.200 0.308 0.000 2.358 207 E HA -0.031 4.319 4.350 -0.000 0.000 0.195 207 E C 1.845 178.584 176.600 0.231 0.000 1.010 207 E CA 0.538 57.090 56.400 0.253 0.000 0.856 207 E CB -0.129 29.741 29.700 0.283 0.000 0.795 207 E HN 0.590 nan 8.360 nan 0.000 0.504 208 G N 0.855 109.819 108.800 0.273 0.000 2.603 208 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.214 208 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.214 208 G C 1.269 176.333 174.900 0.273 0.000 1.140 208 G CA -0.161 45.079 45.100 0.233 0.000 0.800 208 G HN 0.246 nan 8.290 nan 0.000 0.533 209 F N 3.142 123.210 119.950 0.197 0.000 2.186 209 F HA -0.109 4.418 4.527 0.000 0.000 0.299 209 F C 2.756 178.662 175.800 0.177 0.000 1.090 209 F CA 2.174 60.296 58.000 0.204 0.000 1.307 209 F CB -0.527 38.598 39.000 0.208 0.000 1.019 209 F HN 0.149 nan 8.300 nan 0.000 0.489 210 T N -2.043 112.480 114.554 -0.051 0.000 2.915 210 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 210 T C 1.942 176.584 174.700 -0.096 0.000 1.071 210 T CA 1.284 63.288 62.100 -0.160 0.000 1.132 210 T CB -1.170 67.722 68.868 0.040 0.000 0.878 210 T HN 0.171 nan 8.240 nan 0.000 0.479 211 V N 1.373 121.276 119.914 -0.018 0.000 2.379 211 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 211 V C 2.917 178.999 176.094 -0.020 0.000 1.044 211 V CA 1.176 63.468 62.300 -0.013 0.000 1.036 211 V CB -0.730 31.090 31.823 -0.005 0.000 0.664 211 V HN 0.380 nan 8.190 nan 0.000 0.453 212 V N -0.564 119.360 119.914 0.018 0.000 2.343 212 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 212 V C 2.535 178.651 176.094 0.036 0.000 1.051 212 V CA 1.774 64.143 62.300 0.114 0.000 1.036 212 V CB -0.625 31.356 31.823 0.263 0.000 0.654 212 V HN 0.399 nan 8.190 nan 0.000 0.451 213 M N -0.073 119.452 119.600 -0.124 0.000 2.159 213 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 213 M C 2.368 178.655 176.300 -0.021 0.000 1.063 213 M CA 2.122 57.342 55.300 -0.134 0.000 1.110 213 M CB -1.354 31.043 32.600 -0.338 0.000 1.374 213 M HN 0.417 nan 8.290 nan 0.000 0.411 214 A N -0.256 122.556 122.820 -0.013 0.000 2.015 214 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 214 A C 2.183 179.805 177.584 0.064 0.000 1.163 214 A CA 0.911 52.972 52.037 0.040 0.000 0.646 214 A CB -0.787 18.227 19.000 0.022 0.000 0.806 214 A HN 0.468 nan 8.150 nan 0.000 0.448 215 L N -0.347 120.909 121.223 0.055 0.000 2.465 215 L HA -0.051 4.289 4.340 -0.000 0.000 0.224 215 L C 2.074 179.006 176.870 0.103 0.000 1.145 215 L CA 0.196 55.083 54.840 0.077 0.000 0.834 215 L CB -0.286 41.828 42.059 0.092 0.000 0.944 215 L HN 0.394 nan 8.230 nan 0.000 0.451 216 L N -0.939 120.344 121.223 0.101 0.000 2.109 216 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 216 L C 0.433 177.363 176.870 0.100 0.000 1.086 216 L CA 0.930 55.831 54.840 0.102 0.000 0.760 216 L CB -0.006 42.108 42.059 0.092 0.000 0.910 216 L HN 0.192 nan 8.230 nan 0.000 0.437 217 D N -0.614 119.857 120.400 0.119 0.000 2.584 217 D HA 0.183 4.823 4.640 -0.000 0.000 0.238 217 D C -2.624 173.823 176.300 0.246 0.000 1.302 217 D CA -1.219 52.868 54.000 0.146 0.000 0.884 217 D CB 1.283 42.146 40.800 0.105 0.000 1.456 217 D HN -0.128 nan 8.370 nan 0.000 0.528 218 P HA 0.186 nan 4.420 nan 0.000 0.279 218 P C -0.133 177.278 177.300 0.184 0.000 1.252 218 P CA -0.361 62.847 63.100 0.181 0.000 0.811 218 P CB 0.995 32.737 31.700 0.069 0.000 1.035 219 H N 2.696 121.671 119.070 -0.157 0.000 2.652 219 H HA 0.107 4.663 4.556 -0.000 0.000 0.349 219 H C -1.476 173.703 175.328 -0.248 0.000 1.099 219 H CA -1.311 54.425 56.048 -0.519 0.000 1.417 219 H CB 0.803 30.004 29.762 -0.936 0.000 1.457 219 H HN 0.169 nan 8.280 nan 0.000 0.568 220 P HA -0.139 nan 4.420 nan 0.000 0.218 220 P C 0.839 178.074 177.300 -0.108 0.000 1.146 220 P CA 1.805 64.766 63.100 -0.230 0.000 0.813 220 P CB 0.067 31.598 31.700 -0.282 0.000 0.778 221 A N -1.325 121.521 122.820 0.044 0.000 2.167 221 A HA -0.008 4.312 4.320 -0.000 0.000 0.214 221 A C 1.048 178.594 177.584 -0.064 0.000 1.151 221 A CA 0.180 52.223 52.037 0.010 0.000 0.735 221 A CB -0.985 18.020 19.000 0.009 0.000 0.802 221 A HN 0.160 nan 8.150 nan 0.000 0.467 222 L N 0.883 122.069 121.223 -0.062 0.000 2.385 222 L HA 0.224 4.564 4.340 -0.000 0.000 0.285 222 L C 0.818 177.603 176.870 -0.142 0.000 1.125 222 L CA 0.048 54.823 54.840 -0.109 0.000 0.890 222 L CB 0.168 42.175 42.059 -0.085 0.000 1.251 222 L HN 0.061 nan 8.230 nan 0.000 0.445 223 K N 3.361 123.653 120.400 -0.181 0.000 2.314 223 K HA 0.228 4.548 4.320 -0.000 0.000 0.198 223 K C 0.018 176.384 176.600 -0.390 0.000 1.045 223 K CA 0.391 56.542 56.287 -0.226 0.000 0.988 223 K CB 0.442 32.855 32.500 -0.144 0.000 0.783 223 K HN 0.391 nan 8.250 nan 0.000 0.484 224 V N -0.154 119.501 119.914 -0.432 0.000 3.048 224 V HA 0.645 4.765 4.120 -0.000 0.000 0.303 224 V C -1.954 173.877 176.094 -0.439 0.000 1.214 224 V CA -0.834 61.121 62.300 -0.575 0.000 0.984 224 V CB 2.143 33.439 31.823 -0.879 0.000 1.054 224 V HN 0.198 nan 8.190 nan 0.000 0.430 225 A N 4.288 126.996 122.820 -0.186 0.000 2.435 225 A HA 1.029 5.349 4.320 -0.000 0.000 0.304 225 A C -0.469 177.231 177.584 0.194 0.000 1.064 225 A CA -0.153 51.891 52.037 0.012 0.000 0.727 225 A CB 2.114 21.066 19.000 -0.080 0.000 1.284 225 A HN 2.196 nan 8.150 nan 0.000 0.415 226 A N 2.452 125.414 122.820 0.237 0.000 3.007 226 A HA 0.692 5.012 4.320 -0.000 0.000 0.314 226 A C -3.155 174.380 177.584 -0.082 0.000 1.153 226 A CA -1.235 50.853 52.037 0.086 0.000 0.780 226 A CB 0.514 19.631 19.000 0.196 0.000 1.258 226 A HN 0.415 nan 8.150 nan 0.000 0.460 227 P HA 0.342 nan 4.420 nan 0.000 0.276 227 P C -0.509 176.795 177.300 0.006 0.000 1.253 227 P CA 0.365 63.401 63.100 -0.106 0.000 0.766 227 P CB 0.743 32.309 31.700 -0.222 0.000 0.845 228 E N 1.619 121.846 120.200 0.044 0.000 2.134 228 E HA 0.253 4.603 4.350 -0.000 0.000 0.278 228 E C -0.042 176.642 176.600 0.140 0.000 0.959 228 E CA -0.624 55.804 56.400 0.047 0.000 0.783 228 E CB 0.460 30.147 29.700 -0.023 0.000 1.095 228 E HN 0.274 nan 8.360 nan 0.000 0.399 229 S N 2.678 118.486 115.700 0.180 0.000 3.280 229 S HA -0.148 4.322 4.470 -0.000 0.000 0.349 229 S C -2.148 172.650 174.600 0.329 0.000 0.936 229 S CA 0.089 58.445 58.200 0.261 0.000 1.301 229 S CB -1.621 61.736 63.200 0.262 0.000 0.907 229 S HN 0.467 nan 8.310 nan 0.000 0.516 230 P HA 0.312 nan 4.420 nan 0.000 0.276 230 P C -0.174 177.338 177.300 0.353 0.000 1.252 230 P CA -0.784 62.542 63.100 0.376 0.000 0.802 230 P CB 0.578 32.535 31.700 0.428 0.000 1.035 231 M N 1.957 121.775 119.600 0.363 0.000 2.201 231 M HA 0.101 4.581 4.480 -0.000 0.000 0.345 231 M C 0.893 177.416 176.300 0.372 0.000 1.352 231 M CA -0.268 55.184 55.300 0.252 0.000 1.218 231 M CB 0.485 33.156 32.600 0.119 0.000 1.512 231 M HN 0.095 nan 8.290 nan 0.000 0.447 232 V N 0.547 120.653 119.914 0.320 0.000 2.627 232 V HA 0.093 4.213 4.120 -0.000 0.000 0.239 232 V C 0.360 176.634 176.094 0.300 0.000 1.077 232 V CA 1.114 63.624 62.300 0.351 0.000 1.103 232 V CB 0.339 32.372 31.823 0.350 0.000 0.802 232 V HN 0.712 nan 8.190 nan 0.000 0.482 233 D N -0.303 120.223 120.400 0.209 0.000 2.346 233 D HA 0.314 4.954 4.640 -0.000 0.000 0.255 233 D C 1.008 177.289 176.300 -0.033 0.000 1.276 233 D CA 0.341 54.399 54.000 0.097 0.000 0.941 233 D CB 1.365 42.103 40.800 -0.103 0.000 1.199 233 D HN 0.190 nan 8.370 nan 0.000 0.537 234 G N 1.559 110.429 108.800 0.117 0.000 2.498 234 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 234 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 234 G C 1.120 176.020 174.900 0.001 0.000 1.119 234 G CA 0.270 45.360 45.100 -0.017 0.000 0.766 234 G HN 0.521 nan 8.290 nan 0.000 0.552 235 W N -0.160 120.958 121.300 -0.304 0.000 2.644 235 W HA 0.244 4.904 4.660 -0.000 0.000 0.279 235 W C 2.482 178.590 176.519 -0.684 0.000 1.164 235 W CA 0.240 57.281 57.345 -0.508 0.000 1.457 235 W CB 0.179 29.182 29.460 -0.763 0.000 1.087 235 W HN -0.036 nan 8.180 nan 0.000 0.573 236 M N -0.230 118.976 119.600 -0.656 0.000 2.086 236 M HA 0.052 4.532 4.480 -0.000 0.000 0.261 236 M C 1.469 176.832 176.300 -1.562 0.000 1.067 236 M CA 2.058 56.513 55.300 -1.409 0.000 1.116 236 M CB -1.449 29.864 32.600 -2.146 0.000 1.348 236 M HN 0.271 nan 8.290 nan 0.000 0.407 237 G N -1.220 106.862 108.800 -1.197 0.000 5.310 237 G HA2 0.116 4.076 3.960 -0.000 0.000 0.203 237 G HA3 0.116 4.076 3.960 -0.000 0.000 0.203 237 G C -0.216 174.450 174.900 -0.389 0.000 0.800 237 G CA -0.385 44.175 45.100 -0.900 0.000 0.754 237 G HN 0.190 nan 8.290 nan 0.000 0.308 238 D N 0.007 120.285 120.400 -0.204 0.000 3.009 238 D HA 0.161 4.801 4.640 -0.000 0.000 0.243 238 D C 1.102 177.319 176.300 -0.138 0.000 1.204 238 D CA -0.169 53.787 54.000 -0.073 0.000 1.171 238 D CB 0.647 41.390 40.800 -0.096 0.000 0.954 238 D HN -0.089 nan 8.370 nan 0.000 0.241 239 D N -0.554 119.559 120.400 -0.478 0.000 2.149 239 D HA -0.028 4.612 4.640 -0.000 0.000 0.206 239 D C 2.260 178.189 176.300 -0.618 0.000 0.967 239 D CA 0.736 54.278 54.000 -0.763 0.000 0.848 239 D CB 0.123 40.078 40.800 -1.408 0.000 0.998 239 D HN 0.372 nan 8.370 nan 0.000 0.474 240 W N 0.021 121.251 121.300 -0.117 0.000 2.480 240 W HA 0.103 4.763 4.660 0.000 0.000 0.299 240 W C 0.715 176.851 176.519 -0.638 0.000 1.187 240 W CA -0.410 56.760 57.345 -0.292 0.000 1.347 240 W CB -0.207 29.294 29.460 0.067 0.000 1.121 240 W HN -0.221 nan 8.180 nan 0.000 0.533 241 F N -1.313 118.585 119.950 -0.087 0.000 2.620 241 F HA 0.445 4.972 4.527 -0.000 0.000 0.320 241 F C -0.232 175.440 175.800 -0.214 0.000 1.069 241 F CA -1.319 56.518 58.000 -0.271 0.000 0.953 241 F CB 1.297 39.803 39.000 -0.824 0.000 1.322 241 F HN -0.260 nan 8.300 nan 0.000 0.479 242 H N 1.576 120.541 119.070 -0.175 0.000 3.036 242 H HA 0.190 4.747 4.556 0.000 0.000 0.295 242 H C -1.182 173.950 175.328 -0.326 0.000 1.124 242 H CA -0.674 55.234 56.048 -0.233 0.000 1.507 242 H CB 0.628 30.449 29.762 0.098 0.000 1.591 242 H HN 0.705 nan 8.280 nan 0.000 0.510 243 Y N 1.461 121.418 120.300 -0.571 0.000 3.929 243 Y HA -0.299 4.251 4.550 -0.000 0.000 0.225 243 Y C 1.522 176.907 175.900 -0.857 0.000 1.200 243 Y CA 1.600 59.296 58.100 -0.674 0.000 1.791 243 Y CB -1.652 36.569 38.460 -0.399 0.000 1.561 243 Y HN 1.045 nan 8.280 nan 0.000 0.657 244 G N -2.003 106.030 108.800 -1.279 0.000 2.213 244 G HA2 0.004 3.964 3.960 -0.000 0.000 0.236 244 G HA3 0.004 3.964 3.960 -0.000 0.000 0.236 244 G C 0.331 175.144 174.900 -0.146 0.000 0.991 244 G CA -0.138 44.295 45.100 -1.111 0.000 0.629 244 G HN 1.552 nan 8.290 nan 0.000 0.517 245 A N 0.638 123.444 122.820 -0.023 0.000 2.350 245 A HA 0.636 4.956 4.320 -0.000 0.000 0.293 245 A C -0.000 177.793 177.584 0.348 0.000 1.231 245 A CA -0.335 51.811 52.037 0.182 0.000 0.883 245 A CB 0.008 19.024 19.000 0.025 0.000 1.133 245 A HN 1.317 nan 8.150 nan 0.000 0.533 246 F N 2.974 123.017 119.950 0.155 0.000 2.578 246 F HA 0.268 4.795 4.527 -0.000 0.000 0.376 246 F C 0.808 176.450 175.800 -0.264 0.000 1.085 246 F CA 0.136 58.005 58.000 -0.217 0.000 1.260 246 F CB 0.541 39.475 39.000 -0.110 0.000 1.095 246 F HN 0.566 nan 8.300 nan 0.000 0.573 247 R N 5.922 125.569 120.500 -1.423 0.000 2.235 247 R HA 0.118 4.458 4.340 -0.000 0.000 0.338 247 R C 0.990 176.128 176.300 -1.937 0.000 1.087 247 R CA -0.215 55.008 56.100 -1.462 0.000 0.948 247 R CB 0.613 30.253 30.300 -1.100 0.000 1.099 247 R HN 0.775 nan 8.270 nan 0.000 0.483 248 Q N 1.153 120.043 119.800 -1.516 0.000 2.508 248 Q HA -0.106 4.234 4.340 -0.000 0.000 0.214 248 Q C 1.584 176.693 176.000 -1.484 0.000 0.979 248 Q CA 1.140 56.160 55.803 -1.306 0.000 0.911 248 Q CB 0.223 28.311 28.738 -1.082 0.000 0.969 248 Q HN 0.828 nan 8.270 nan 0.000 0.504 249 G N 0.201 107.940 108.800 -1.769 0.000 2.813 249 G HA2 0.041 4.001 3.960 -0.000 0.000 0.209 249 G HA3 0.041 4.001 3.960 -0.000 0.000 0.209 249 G C 1.310 175.536 174.900 -1.122 0.000 1.150 249 G CA 0.501 44.403 45.100 -1.997 0.000 0.785 249 G HN 0.367 nan 8.290 nan 0.000 0.535 250 A N 0.630 122.813 122.820 -1.062 0.000 2.015 250 A HA 0.181 4.501 4.320 -0.000 0.000 0.219 250 A C 1.936 178.865 177.584 -1.092 0.000 1.163 250 A CA 0.785 52.278 52.037 -0.907 0.000 0.646 250 A CB -0.410 18.093 19.000 -0.829 0.000 0.806 250 A HN 0.242 nan 8.150 nan 0.000 0.448 251 F N 0.818 120.380 119.950 -0.647 0.000 2.126 251 F HA -0.156 4.371 4.527 0.000 0.000 0.299 251 F C 2.141 177.797 175.800 -0.239 0.000 1.096 251 F CA 1.182 58.944 58.000 -0.396 0.000 1.255 251 F CB -0.686 38.259 39.000 -0.090 0.000 0.997 251 F HN 0.249 nan 8.300 nan 0.000 0.479 252 D N -1.375 118.997 120.400 -0.047 0.000 2.144 252 D HA -0.219 4.421 4.640 -0.000 0.000 0.200 252 D C 2.127 178.441 176.300 0.024 0.000 0.978 252 D CA 1.089 55.083 54.000 -0.011 0.000 0.833 252 D CB -0.476 40.291 40.800 -0.054 0.000 0.961 252 D HN 0.302 nan 8.370 nan 0.000 0.470 253 Y N 0.655 120.873 120.300 -0.136 0.000 2.242 253 Y HA -0.221 4.329 4.550 -0.000 0.000 0.291 253 Y C 2.010 178.036 175.900 0.210 0.000 1.137 253 Y CA 1.204 59.319 58.100 0.024 0.000 1.181 253 Y CB -0.244 38.237 38.460 0.035 0.000 0.989 253 Y HN -0.168 nan 8.280 nan 0.000 0.527 254 F N -0.898 119.125 119.950 0.122 0.000 2.102 254 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 254 F C 2.480 178.206 175.800 -0.123 0.000 1.105 254 F CA 1.242 59.252 58.000 0.017 0.000 1.239 254 F CB -1.426 37.586 39.000 0.018 0.000 0.991 254 F HN -0.127 nan 8.300 nan 0.000 0.474 255 V N -0.302 119.617 119.914 0.009 0.000 2.427 255 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 255 V C 2.501 178.615 176.094 0.034 0.000 1.051 255 V CA 1.796 64.047 62.300 -0.082 0.000 1.048 255 V CB -1.087 30.669 31.823 -0.111 0.000 0.666 255 V HN 0.472 nan 8.190 nan 0.000 0.456 256 S N -0.860 114.848 115.700 0.013 0.000 2.428 256 S HA -0.169 4.301 4.470 -0.000 0.000 0.230 256 S C 1.857 176.448 174.600 -0.015 0.000 1.014 256 S CA 1.154 59.357 58.200 0.004 0.000 0.957 256 S CB -0.123 63.078 63.200 0.001 0.000 0.784 256 S HN 0.638 nan 8.310 nan 0.000 0.499 257 Q N -0.548 119.223 119.800 -0.049 0.000 2.392 257 Q HA 0.337 4.677 4.340 -0.000 0.000 0.219 257 Q C 1.184 177.220 176.000 0.060 0.000 0.895 257 Q CA 0.445 56.219 55.803 -0.048 0.000 0.929 257 Q CB 0.277 28.911 28.738 -0.174 0.000 1.077 257 Q HN 0.621 nan 8.270 nan 0.000 0.532 258 M N -0.723 118.982 119.600 0.175 0.000 2.405 258 M HA 0.123 4.603 4.480 -0.000 0.000 0.292 258 M C 1.172 177.660 176.300 0.314 0.000 1.111 258 M CA 0.126 55.600 55.300 0.289 0.000 0.979 258 M CB 0.744 33.569 32.600 0.374 0.000 1.426 258 M HN -0.105 nan 8.290 nan 0.000 0.509 259 T N 1.054 115.760 114.554 0.253 0.000 2.812 259 T HA 0.179 4.529 4.350 -0.000 0.000 0.264 259 T C 0.798 175.521 174.700 0.039 0.000 1.042 259 T CA 1.130 63.346 62.100 0.193 0.000 1.140 259 T CB 0.176 69.144 68.868 0.167 0.000 0.870 259 T HN 0.479 nan 8.240 nan 0.000 0.445 260 A N -0.216 122.596 122.820 -0.014 0.000 2.564 260 A HA 0.710 5.030 4.320 -0.000 0.000 0.288 260 A C 0.888 178.380 177.584 -0.154 0.000 1.164 260 A CA -0.670 51.321 52.037 -0.077 0.000 0.712 260 A CB 0.923 19.868 19.000 -0.092 0.000 1.303 260 A HN 0.085 nan 8.150 nan 0.000 0.418 261 R N -0.381 120.014 120.500 -0.175 0.000 2.096 261 R HA -0.038 4.302 4.340 -0.000 0.000 0.235 261 R C 1.202 177.203 176.300 -0.499 0.000 1.127 261 R CA 1.980 57.935 56.100 -0.241 0.000 0.968 261 R CB -0.337 29.869 30.300 -0.156 0.000 0.861 261 R HN 0.844 nan 8.270 nan 0.000 0.440 262 G N -0.986 107.497 108.800 -0.528 0.000 2.882 262 G HA2 0.368 4.328 3.960 -0.000 0.000 0.164 262 G HA3 0.368 4.328 3.960 -0.000 0.000 0.164 262 G C -0.440 173.979 174.900 -0.803 0.000 1.429 262 G CA -0.215 44.319 45.100 -0.943 0.000 1.059 262 G HN 0.372 nan 8.290 nan 0.000 0.581 263 G N -1.217 107.375 108.800 -0.345 0.000 2.491 263 G HA2 0.513 4.473 3.960 -0.000 0.000 0.242 263 G HA3 0.513 4.473 3.960 -0.000 0.000 0.242 263 G C 0.083 174.952 174.900 -0.052 0.000 1.266 263 G CA 0.571 45.646 45.100 -0.041 0.000 0.844 263 G HN 0.861 nan 8.290 nan 0.000 0.571 264 G N 0.181 108.978 108.800 -0.004 0.000 2.714 264 G HA2 0.548 4.508 3.960 -0.000 0.000 0.292 264 G HA3 0.548 4.508 3.960 -0.000 0.000 0.292 264 G C -0.777 174.137 174.900 0.024 0.000 1.308 264 G CA -0.794 44.311 45.100 0.008 0.000 0.964 264 G HN 0.570 nan 8.290 nan 0.000 0.484 265 N N -0.426 118.289 118.700 0.026 0.000 2.459 265 N HA 0.358 5.098 4.740 -0.000 0.000 0.288 265 N C -0.920 174.602 175.510 0.019 0.000 1.186 265 N CA -0.450 52.612 53.050 0.021 0.000 0.917 265 N CB 2.090 40.586 38.487 0.014 0.000 1.219 265 N HN 0.400 nan 8.380 nan 0.000 0.525 266 D N 0.100 120.509 120.400 0.014 0.000 2.377 266 D HA 0.306 4.946 4.640 -0.000 0.000 0.245 266 D C 0.053 176.354 176.300 0.003 0.000 1.196 266 D CA -0.025 53.983 54.000 0.013 0.000 0.962 266 D CB 0.821 41.629 40.800 0.014 0.000 1.127 266 D HN 0.296 nan 8.370 nan 0.000 0.471 267 I N 2.372 122.945 120.570 0.006 0.000 2.379 267 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 267 I C -1.881 174.222 176.117 -0.023 0.000 1.063 267 I CA -1.650 59.636 61.300 -0.024 0.000 1.351 267 I CB 0.737 38.726 38.000 -0.018 0.000 1.410 267 I HN 0.128 nan 8.210 nan 0.000 0.505 268 P HA 0.103 nan 4.420 nan 0.000 0.264 268 P C -0.677 176.592 177.300 -0.051 0.000 1.193 268 P CA -0.072 63.002 63.100 -0.043 0.000 0.763 268 P CB 0.424 32.092 31.700 -0.054 0.000 0.810 269 R N 2.594 123.080 120.500 -0.024 0.000 2.598 269 R HA 0.341 4.681 4.340 -0.000 0.000 0.279 269 R C 1.124 177.411 176.300 -0.022 0.000 0.984 269 R CA -0.787 55.305 56.100 -0.013 0.000 0.999 269 R CB 1.238 31.547 30.300 0.016 0.000 1.114 269 R HN 0.374 nan 8.270 nan 0.000 0.493 270 R N 0.431 120.920 120.500 -0.018 0.000 2.075 270 R HA 0.068 4.408 4.340 -0.000 0.000 0.220 270 R C 0.186 176.486 176.300 -0.000 0.000 1.118 270 R CA 1.369 57.459 56.100 -0.016 0.000 0.986 270 R CB 0.114 30.402 30.300 -0.019 0.000 0.884 270 R HN 0.617 nan 8.270 nan 0.000 0.439 271 D N -1.657 118.751 120.400 0.013 0.000 2.340 271 D HA 0.306 4.946 4.640 -0.000 0.000 0.243 271 D C -0.041 176.267 176.300 0.013 0.000 0.988 271 D CA 0.190 54.202 54.000 0.021 0.000 0.959 271 D CB 2.178 43.005 40.800 0.044 0.000 1.226 271 D HN 0.243 nan 8.370 nan 0.000 0.509 272 A N 1.397 124.221 122.820 0.007 0.000 2.016 272 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 272 A C 0.757 178.329 177.584 -0.021 0.000 1.162 272 A CA 0.765 52.794 52.037 -0.012 0.000 0.662 272 A CB 0.091 19.084 19.000 -0.012 0.000 0.812 272 A HN 0.482 nan 8.150 nan 0.000 0.450 273 D N -0.282 120.128 120.400 0.017 0.000 2.274 273 D HA 0.288 4.928 4.640 -0.000 0.000 0.239 273 D C -0.191 176.158 176.300 0.082 0.000 1.104 273 D CA -0.404 53.623 54.000 0.044 0.000 0.840 273 D CB 0.905 41.762 40.800 0.094 0.000 1.100 273 D HN 0.008 nan 8.370 nan 0.000 0.477 274 D N 2.306 122.726 120.400 0.034 0.000 2.312 274 D HA -0.147 4.493 4.640 -0.000 0.000 0.211 274 D C 1.279 177.710 176.300 0.219 0.000 0.964 274 D CA 0.506 54.571 54.000 0.108 0.000 0.877 274 D CB -0.015 40.761 40.800 -0.040 0.000 0.924 274 D HN 0.566 nan 8.370 nan 0.000 0.515 275 Y N 1.224 121.582 120.300 0.098 0.000 2.200 275 Y HA -0.195 4.355 4.550 -0.000 0.000 0.290 275 Y C 2.176 178.263 175.900 0.311 0.000 1.137 275 Y CA 1.582 59.806 58.100 0.207 0.000 1.163 275 Y CB -0.187 38.401 38.460 0.213 0.000 0.988 275 Y HN -0.131 nan 8.280 nan 0.000 0.518 276 T N 0.545 115.338 114.554 0.398 0.000 2.812 276 T HA -0.133 4.217 4.350 -0.000 0.000 0.264 276 T C 1.647 176.458 174.700 0.185 0.000 1.042 276 T CA 1.250 63.514 62.100 0.273 0.000 1.140 276 T CB -0.286 68.706 68.868 0.207 0.000 0.870 276 T HN 0.341 nan 8.240 nan 0.000 0.445 277 N N 0.990 119.785 118.700 0.157 0.000 2.069 277 N HA -0.042 4.698 4.740 -0.000 0.000 0.191 277 N C 1.585 177.129 175.510 0.056 0.000 1.031 277 N CA 1.298 54.400 53.050 0.086 0.000 0.852 277 N CB -0.534 37.975 38.487 0.036 0.000 1.018 277 N HN 0.353 nan 8.380 nan 0.000 0.423 278 F N 0.504 120.480 119.950 0.043 0.000 2.206 278 F HA -0.014 4.514 4.527 0.000 0.000 0.298 278 F C 2.152 178.092 175.800 0.235 0.000 1.090 278 F CA 0.206 58.230 58.000 0.041 0.000 1.323 278 F CB -0.333 38.526 39.000 -0.237 0.000 1.028 278 F HN -0.009 nan 8.300 nan 0.000 0.492 279 L N 0.400 121.867 121.223 0.407 0.000 2.093 279 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 279 L C 2.142 179.034 176.870 0.036 0.000 1.085 279 L CA 1.821 56.734 54.840 0.121 0.000 0.755 279 L CB -0.663 41.357 42.059 -0.065 0.000 0.904 279 L HN -0.040 nan 8.230 nan 0.000 0.435 280 K N -1.023 119.423 120.400 0.077 0.000 2.103 280 K HA -0.027 4.293 4.320 -0.000 0.000 0.204 280 K C 1.982 178.613 176.600 0.052 0.000 1.052 280 K CA 1.037 57.350 56.287 0.044 0.000 0.945 280 K CB -0.146 32.384 32.500 0.050 0.000 0.722 280 K HN 0.433 nan 8.250 nan 0.000 0.443 281 A N 0.516 123.398 122.820 0.103 0.000 2.015 281 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 281 A C 1.457 179.120 177.584 0.131 0.000 1.163 281 A CA 1.847 53.958 52.037 0.123 0.000 0.646 281 A CB -0.414 18.721 19.000 0.225 0.000 0.806 281 A HN 0.476 nan 8.150 nan 0.000 0.448 282 G N -1.050 107.821 108.800 0.117 0.000 3.692 282 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.265 282 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.265 282 G C 0.697 175.711 174.900 0.190 0.000 1.733 282 G CA 0.754 45.891 45.100 0.061 0.000 1.144 282 G HN 1.735 nan 8.290 nan 0.000 0.602 283 S N 1.143 117.038 115.700 0.325 0.000 2.693 283 S HA 0.785 5.255 4.470 -0.000 0.000 0.276 283 S C 1.545 176.445 174.600 0.500 0.000 1.192 283 S CA 0.545 59.017 58.200 0.454 0.000 0.994 283 S CB 1.715 65.180 63.200 0.443 0.000 1.012 283 S HN 2.094 nan 8.310 nan 0.000 0.550 284 A N 1.056 124.244 122.820 0.613 0.000 1.930 284 A HA 0.198 4.518 4.320 -0.000 0.000 0.217 284 A C 2.105 180.064 177.584 0.625 0.000 1.175 284 A CA 1.445 53.945 52.037 0.771 0.000 0.627 284 A CB -1.703 17.853 19.000 0.926 0.000 0.815 284 A HN 1.132 nan 8.150 nan 0.000 0.443 285 G N -1.242 107.939 108.800 0.635 0.000 2.443 285 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.219 285 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.219 285 G C 1.807 176.878 174.900 0.285 0.000 1.131 285 G CA 1.283 46.715 45.100 0.553 0.000 0.775 285 G HN 0.504 nan 8.290 nan 0.000 0.547 286 S N -0.648 115.212 115.700 0.267 0.000 2.387 286 S HA 0.002 4.472 4.470 -0.000 0.000 0.226 286 S C 1.904 176.537 174.600 0.055 0.000 1.026 286 S CA 0.685 58.976 58.200 0.152 0.000 0.972 286 S CB -0.301 63.006 63.200 0.178 0.000 0.814 286 S HN 0.388 nan 8.310 nan 0.000 0.477 287 F N 2.170 122.074 119.950 -0.076 0.000 2.206 287 F HA 0.103 4.630 4.527 0.000 0.000 0.298 287 F C 2.186 177.696 175.800 -0.482 0.000 1.090 287 F CA 1.089 58.934 58.000 -0.258 0.000 1.323 287 F CB -0.571 38.288 39.000 -0.235 0.000 1.028 287 F HN 0.242 nan 8.300 nan 0.000 0.492 288 A N -0.411 122.080 122.820 -0.550 0.000 1.877 288 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 288 A C 2.178 179.488 177.584 -0.456 0.000 1.186 288 A CA 2.276 53.778 52.037 -0.891 0.000 0.620 288 A CB -1.418 16.870 19.000 -1.186 0.000 0.822 288 A HN 0.409 nan 8.150 nan 0.000 0.443 289 T N -0.254 114.167 114.554 -0.223 0.000 2.746 289 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 289 T C 2.032 176.619 174.700 -0.188 0.000 1.039 289 T CA 1.732 63.757 62.100 -0.124 0.000 1.142 289 T CB -0.223 68.619 68.868 -0.044 0.000 0.866 289 T HN 0.596 nan 8.240 nan 0.000 0.444 290 Q N 0.017 119.655 119.800 -0.269 0.000 2.291 290 Q HA 0.120 4.460 4.340 -0.000 0.000 0.205 290 Q C 2.256 178.024 176.000 -0.386 0.000 0.970 290 Q CA 0.965 56.585 55.803 -0.304 0.000 0.876 290 Q CB -0.069 28.465 28.738 -0.340 0.000 0.935 290 Q HN 0.525 nan 8.270 nan 0.000 0.455 291 A N -0.652 121.866 122.820 -0.504 0.000 2.238 291 A HA 0.318 4.638 4.320 -0.000 0.000 0.210 291 A C 1.328 178.764 177.584 -0.247 0.000 1.179 291 A CA 0.671 52.431 52.037 -0.462 0.000 0.827 291 A CB -0.006 18.614 19.000 -0.634 0.000 0.856 291 A HN 0.390 nan 8.150 nan 0.000 0.488 292 G N -0.977 107.712 108.800 -0.185 0.000 2.160 292 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 292 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 292 G C 0.532 175.474 174.900 0.070 0.000 1.022 292 G CA 0.421 45.492 45.100 -0.048 0.000 0.741 292 G HN 0.428 nan 8.290 nan 0.000 0.508 293 L N -0.278 120.921 121.223 -0.039 0.000 2.554 293 L HA 0.157 4.497 4.340 -0.000 0.000 0.226 293 L C 2.091 179.162 176.870 0.334 0.000 1.137 293 L CA 0.671 55.544 54.840 0.054 0.000 0.863 293 L CB 0.033 41.849 42.059 -0.406 0.000 0.985 293 L HN 0.097 nan 8.230 nan 0.000 0.451 294 D N 0.089 120.624 120.400 0.225 0.000 2.309 294 D HA -0.203 4.437 4.640 -0.000 0.000 0.212 294 D C 1.996 178.382 176.300 0.144 0.000 0.968 294 D CA 0.868 54.991 54.000 0.205 0.000 0.882 294 D CB 0.111 40.947 40.800 0.061 0.000 0.918 294 D HN 0.559 nan 8.370 nan 0.000 0.503 295 Q N -0.723 119.168 119.800 0.153 0.000 2.360 295 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 295 Q C -0.267 175.723 176.000 -0.016 0.000 0.915 295 Q CA 0.022 55.840 55.803 0.025 0.000 0.943 295 Q CB -0.072 28.631 28.738 -0.057 0.000 1.064 295 Q HN 0.197 nan 8.270 nan 0.000 0.511 296 Y N 1.923 122.270 120.300 0.079 0.000 2.425 296 Y HA 0.247 4.797 4.550 -0.000 0.000 0.347 296 Y C -1.590 174.353 175.900 0.071 0.000 0.976 296 Y CA -2.462 55.691 58.100 0.089 0.000 1.190 296 Y CB 1.334 39.875 38.460 0.136 0.000 1.136 296 Y HN 0.047 nan 8.280 nan 0.000 0.517 297 P HA -0.263 nan 4.420 nan 0.000 0.216 297 P C 1.640 178.973 177.300 0.056 0.000 1.153 297 P CA 1.448 64.581 63.100 0.054 0.000 0.858 297 P CB 0.042 31.763 31.700 0.036 0.000 0.789 298 F N -0.956 118.964 119.950 -0.049 0.000 2.171 298 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 298 F C 2.242 177.949 175.800 -0.154 0.000 1.090 298 F CA 1.172 59.082 58.000 -0.151 0.000 1.293 298 F CB -0.812 38.014 39.000 -0.290 0.000 1.013 298 F HN 0.007 nan 8.300 nan 0.000 0.486 299 W N 1.221 122.340 121.300 -0.301 0.000 2.402 299 W HA -0.194 4.466 4.660 -0.000 0.000 0.286 299 W C 1.857 178.249 176.519 -0.213 0.000 1.221 299 W CA 1.347 58.533 57.345 -0.265 0.000 1.257 299 W CB -0.362 29.091 29.460 -0.012 0.000 1.120 299 W HN 0.154 nan 8.180 nan 0.000 0.551 300 Q N 0.214 119.802 119.800 -0.354 0.000 2.170 300 Q HA -0.181 4.159 4.340 -0.000 0.000 0.203 300 Q C 2.349 178.067 176.000 -0.469 0.000 0.976 300 Q CA 1.601 57.134 55.803 -0.449 0.000 0.858 300 Q CB -0.191 28.406 28.738 -0.235 0.000 0.907 300 Q HN 0.305 nan 8.270 nan 0.000 0.433 301 R N -0.024 120.193 120.500 -0.471 0.000 2.075 301 R HA -0.008 4.332 4.340 -0.000 0.000 0.226 301 R C 2.233 178.145 176.300 -0.647 0.000 1.114 301 R CA 1.098 56.843 56.100 -0.592 0.000 0.972 301 R CB -0.261 29.667 30.300 -0.620 0.000 0.869 301 R HN 0.309 nan 8.270 nan 0.000 0.437 302 M N 0.316 119.570 119.600 -0.578 0.000 2.175 302 M HA -0.184 4.296 4.480 -0.000 0.000 0.264 302 M C 2.370 178.546 176.300 -0.207 0.000 1.063 302 M CA 1.640 56.839 55.300 -0.168 0.000 1.119 302 M CB -0.273 32.326 32.600 -0.001 0.000 1.377 302 M HN 0.198 nan 8.290 nan 0.000 0.415 303 H N 0.091 118.631 119.070 -0.884 0.000 2.387 303 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 303 H C 1.602 176.697 175.328 -0.389 0.000 1.090 303 H CA 1.858 57.327 56.048 -0.965 0.000 1.332 303 H CB 0.125 29.064 29.762 -1.372 0.000 1.386 303 H HN 0.526 nan 8.280 nan 0.000 0.516 304 A N 0.347 122.936 122.820 -0.386 0.000 2.119 304 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 304 A C 0.404 177.641 177.584 -0.578 0.000 1.152 304 A CA 0.392 52.148 52.037 -0.467 0.000 0.708 304 A CB -0.072 18.587 19.000 -0.567 0.000 0.805 304 A HN 0.458 nan 8.150 nan 0.000 0.460 305 H N -0.487 118.511 119.070 -0.121 0.000 2.340 305 H HA 0.211 4.767 4.556 0.000 0.000 0.233 305 H C -2.175 173.400 175.328 0.412 0.000 1.435 305 H CA -1.493 54.593 56.048 0.064 0.000 1.389 305 H CB 0.755 30.433 29.762 -0.141 0.000 1.491 305 H HN 0.344 nan 8.280 nan 0.000 0.518 306 P HA 0.067 nan 4.420 nan 0.000 0.240 306 P C 0.610 178.176 177.300 0.444 0.000 1.190 306 P CA 0.371 63.717 63.100 0.410 0.000 0.781 306 P CB 0.815 32.658 31.700 0.238 0.000 0.931 307 A N -0.530 122.526 122.820 0.393 0.000 2.288 307 A HA 0.398 4.718 4.320 -0.000 0.000 0.328 307 A C -0.799 176.581 177.584 -0.341 0.000 1.123 307 A CA -0.598 51.569 52.037 0.218 0.000 0.861 307 A CB 0.048 19.245 19.000 0.330 0.000 1.272 307 A HN -0.045 nan 8.150 nan 0.000 0.490 308 Y N 2.235 121.794 120.300 -1.235 0.000 2.889 308 Y HA 0.174 4.724 4.550 -0.000 0.000 0.367 308 Y C 0.155 175.810 175.900 -0.409 0.000 1.197 308 Y CA -1.071 56.249 58.100 -1.301 0.000 1.993 308 Y CB -1.172 36.342 38.460 -1.575 0.000 2.112 308 Y HN 0.764 nan 8.280 nan 0.000 0.413 309 D N -0.321 119.954 120.400 -0.208 0.000 2.453 309 D HA 0.283 4.923 4.640 -0.000 0.000 0.282 309 D C 1.589 177.745 176.300 -0.240 0.000 1.222 309 D CA 0.077 53.991 54.000 -0.143 0.000 1.079 309 D CB -0.059 40.755 40.800 0.023 0.000 1.128 309 D HN 0.145 nan 8.370 nan 0.000 0.568 310 A N -1.049 121.673 122.820 -0.164 0.000 1.978 310 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 310 A C 1.945 179.384 177.584 -0.241 0.000 1.170 310 A CA 1.303 53.232 52.037 -0.180 0.000 0.636 310 A CB -1.233 17.703 19.000 -0.106 0.000 0.810 310 A HN 0.528 nan 8.150 nan 0.000 0.448 311 F N -1.239 118.391 119.950 -0.533 0.000 2.146 311 F HA -0.115 4.412 4.527 0.000 0.000 0.298 311 F C 1.814 177.245 175.800 -0.615 0.000 1.096 311 F CA 1.574 59.127 58.000 -0.745 0.000 1.275 311 F CB -0.280 37.854 39.000 -1.444 0.000 1.008 311 F HN 0.402 nan 8.300 nan 0.000 0.480 312 W N 0.040 121.154 121.300 -0.310 0.000 2.576 312 W HA 0.063 4.722 4.660 -0.000 0.000 0.275 312 W C 2.431 178.702 176.519 -0.413 0.000 1.241 312 W CA 0.311 57.480 57.345 -0.294 0.000 1.328 312 W CB -0.474 28.882 29.460 -0.172 0.000 1.092 312 W HN -0.075 nan 8.180 nan 0.000 0.586 313 Q N -0.141 119.394 119.800 -0.442 0.000 2.167 313 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 313 Q C 2.295 178.190 176.000 -0.175 0.000 0.970 313 Q CA 1.358 56.894 55.803 -0.445 0.000 0.855 313 Q CB -0.544 27.911 28.738 -0.472 0.000 0.911 313 Q HN 0.344 nan 8.270 nan 0.000 0.438 314 G N -0.244 108.446 108.800 -0.183 0.000 2.920 314 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.208 314 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.208 314 G C 0.911 175.762 174.900 -0.081 0.000 1.159 314 G CA -0.003 45.022 45.100 -0.126 0.000 0.784 314 G HN 0.238 nan 8.290 nan 0.000 0.535 315 Q N -0.711 119.062 119.800 -0.045 0.000 2.189 315 Q HA 0.321 4.661 4.340 -0.000 0.000 0.223 315 Q C 0.958 177.074 176.000 0.192 0.000 0.828 315 Q CA -0.326 55.517 55.803 0.067 0.000 0.967 315 Q CB 1.098 29.859 28.738 0.039 0.000 1.139 315 Q HN 0.321 nan 8.270 nan 0.000 0.497 316 A N 1.501 124.424 122.820 0.172 0.000 2.545 316 A HA 0.107 4.427 4.320 -0.000 0.000 0.297 316 A C 0.982 178.690 177.584 0.207 0.000 1.340 316 A CA 0.060 52.231 52.037 0.223 0.000 1.016 316 A CB -0.345 18.793 19.000 0.230 0.000 1.122 316 A HN 0.383 nan 8.150 nan 0.000 0.537 317 L N 1.280 122.649 121.223 0.245 0.000 2.265 317 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 317 L C 2.032 179.025 176.870 0.205 0.000 1.117 317 L CA 1.281 56.261 54.840 0.233 0.000 0.782 317 L CB -0.491 41.740 42.059 0.286 0.000 0.914 317 L HN 0.797 nan 8.230 nan 0.000 0.441 318 D N 0.222 120.746 120.400 0.207 0.000 2.144 318 D HA -0.199 4.441 4.640 -0.000 0.000 0.200 318 D C 1.920 178.298 176.300 0.131 0.000 0.978 318 D CA 1.139 55.230 54.000 0.153 0.000 0.833 318 D CB -0.112 40.800 40.800 0.188 0.000 0.961 318 D HN 0.143 nan 8.370 nan 0.000 0.470 319 K N 0.148 120.639 120.400 0.152 0.000 2.116 319 K HA 0.188 4.508 4.320 -0.000 0.000 0.203 319 K C 2.302 178.964 176.600 0.103 0.000 1.052 319 K CA 0.357 56.718 56.287 0.124 0.000 0.952 319 K CB -0.109 32.471 32.500 0.133 0.000 0.729 319 K HN 0.166 nan 8.250 nan 0.000 0.446 320 I N 0.212 120.848 120.570 0.112 0.000 2.202 320 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 320 I C 1.976 178.155 176.117 0.104 0.000 1.091 320 I CA 0.621 61.980 61.300 0.099 0.000 1.368 320 I CB -0.181 37.880 38.000 0.102 0.000 1.058 320 I HN 0.086 nan 8.210 nan 0.000 0.410 321 L N 1.265 122.564 121.223 0.127 0.000 2.046 321 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 321 L C 2.513 179.451 176.870 0.114 0.000 1.077 321 L CA 2.082 57.007 54.840 0.141 0.000 0.747 321 L CB -0.866 41.313 42.059 0.200 0.000 0.896 321 L HN 0.204 nan 8.230 nan 0.000 0.432 322 A N -1.528 121.346 122.820 0.090 0.000 2.015 322 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 322 A C 2.226 179.844 177.584 0.057 0.000 1.163 322 A CA 1.625 53.699 52.037 0.062 0.000 0.646 322 A CB -0.452 18.572 19.000 0.040 0.000 0.806 322 A HN 0.613 nan 8.150 nan 0.000 0.448 323 Q N -1.077 118.761 119.800 0.063 0.000 2.245 323 Q HA 0.016 4.356 4.340 -0.000 0.000 0.201 323 Q C 2.091 178.124 176.000 0.056 0.000 0.955 323 Q CA 0.609 56.445 55.803 0.055 0.000 0.870 323 Q CB 0.107 28.878 28.738 0.054 0.000 0.945 323 Q HN 0.458 nan 8.270 nan 0.000 0.461 324 R N 0.619 121.160 120.500 0.067 0.000 2.200 324 R HA 0.053 4.393 4.340 -0.000 0.000 0.208 324 R C -0.056 176.282 176.300 0.064 0.000 1.033 324 R CA 0.372 56.513 56.100 0.067 0.000 1.000 324 R CB 0.058 30.405 30.300 0.079 0.000 0.906 324 R HN 0.110 nan 8.270 nan 0.000 0.462 325 K N 1.395 121.835 120.400 0.067 0.000 4.387 325 K HA -0.104 4.216 4.320 -0.000 0.000 0.290 325 K C -2.336 174.305 176.600 0.067 0.000 0.936 325 K CA 0.095 56.420 56.287 0.063 0.000 0.890 325 K CB -0.943 31.586 32.500 0.048 0.000 1.617 325 K HN 0.268 nan 8.250 nan 0.000 0.437 326 P HA 0.049 nan 4.420 nan 0.000 0.274 326 P C 0.517 177.855 177.300 0.064 0.000 1.237 326 P CA -0.051 63.096 63.100 0.078 0.000 0.793 326 P CB 0.808 32.570 31.700 0.103 0.000 0.977 327 T N -3.302 111.276 114.554 0.040 0.000 3.084 327 T HA 0.196 4.546 4.350 -0.000 0.000 0.270 327 T C 0.479 175.169 174.700 -0.015 0.000 1.008 327 T CA -0.235 61.879 62.100 0.022 0.000 0.900 327 T CB -0.304 68.574 68.868 0.017 0.000 1.084 327 T HN 0.091 nan 8.240 nan 0.000 0.538 328 V N 3.950 123.850 119.914 -0.022 0.000 2.432 328 V HA 0.325 4.445 4.120 -0.000 0.000 0.271 328 V C -2.293 173.746 176.094 -0.091 0.000 1.046 328 V CA -2.149 60.094 62.300 -0.095 0.000 0.945 328 V CB 0.917 32.690 31.823 -0.084 0.000 0.992 328 V HN 0.209 nan 8.190 nan 0.000 0.471 329 P HA 0.114 nan 4.420 nan 0.000 0.262 329 P C -0.491 176.851 177.300 0.069 0.000 1.182 329 P CA 0.587 63.624 63.100 -0.105 0.000 0.761 329 P CB 0.294 31.649 31.700 -0.574 0.000 0.795 330 M N 2.829 122.568 119.600 0.231 0.000 2.602 330 M HA 0.475 4.955 4.480 -0.000 0.000 0.312 330 M C -0.384 176.005 176.300 0.148 0.000 1.181 330 M CA -0.580 54.794 55.300 0.123 0.000 0.910 330 M CB 2.228 34.810 32.600 -0.031 0.000 1.723 330 M HN 0.127 nan 8.290 nan 0.000 0.459 331 L N 2.236 123.443 121.223 -0.027 0.000 2.492 331 L HA 0.405 4.745 4.340 -0.000 0.000 0.258 331 L C -1.848 174.929 176.870 -0.155 0.000 1.028 331 L CA -0.244 54.547 54.840 -0.082 0.000 0.900 331 L CB 0.790 42.840 42.059 -0.014 0.000 1.191 331 L HN 0.775 nan 8.230 nan 0.000 0.459 332 W N 3.485 124.794 121.300 0.015 0.000 2.266 332 W HA 0.337 4.997 4.660 -0.000 0.000 0.317 332 W C 0.644 177.083 176.519 -0.133 0.000 1.310 332 W CA 0.080 57.420 57.345 -0.008 0.000 1.207 332 W CB 0.759 30.254 29.460 0.058 0.000 1.199 332 W HN 0.316 nan 8.180 nan 0.000 0.544 333 E N 3.373 123.642 120.200 0.115 0.000 2.314 333 E HA 0.338 4.688 4.350 -0.000 0.000 0.272 333 E C -1.227 175.411 176.600 0.063 0.000 0.884 333 E CA -0.732 55.655 56.400 -0.022 0.000 0.753 333 E CB 2.235 31.841 29.700 -0.156 0.000 1.213 333 E HN 0.669 nan 8.360 nan 0.000 0.432 334 Q N 1.330 121.154 119.800 0.039 0.000 2.527 334 Q HA 0.620 4.960 4.340 -0.000 0.000 0.280 334 Q C -0.958 175.082 176.000 0.067 0.000 0.977 334 Q CA -1.081 54.776 55.803 0.089 0.000 0.837 334 Q CB 0.835 29.624 28.738 0.085 0.000 1.454 334 Q HN 0.473 nan 8.270 nan 0.000 0.387 335 G N 1.010 109.886 108.800 0.127 0.000 2.448 335 G HA2 0.402 4.362 3.960 -0.000 0.000 0.285 335 G HA3 0.402 4.362 3.960 -0.000 0.000 0.285 335 G C 0.243 175.077 174.900 -0.110 0.000 1.176 335 G CA -0.874 44.266 45.100 0.067 0.000 0.852 335 G HN 0.649 nan 8.290 nan 0.000 0.530 336 L N 0.150 121.180 121.223 -0.323 0.000 2.201 336 L HA 0.029 4.369 4.340 -0.000 0.000 0.212 336 L C 1.033 177.607 176.870 -0.494 0.000 1.105 336 L CA 0.686 55.217 54.840 -0.514 0.000 0.775 336 L CB 0.047 41.589 42.059 -0.862 0.000 0.913 336 L HN 0.527 nan 8.230 nan 0.000 0.440 337 W N 0.082 121.308 121.300 -0.123 0.000 1.931 337 W HA 0.208 4.868 4.660 -0.000 0.000 0.346 337 W C -0.068 176.388 176.519 -0.105 0.000 0.775 337 W CA -0.948 56.317 57.345 -0.133 0.000 2.738 337 W CB 0.013 29.384 29.460 -0.147 0.000 1.908 337 W HN -0.065 nan 8.180 nan 0.000 0.665 338 D N 2.405 122.869 120.400 0.107 0.000 2.359 338 D HA -0.042 4.598 4.640 -0.000 0.000 0.250 338 D C 1.640 177.982 176.300 0.069 0.000 1.264 338 D CA 0.465 54.547 54.000 0.136 0.000 0.911 338 D CB 1.008 41.913 40.800 0.176 0.000 1.056 338 D HN 0.206 nan 8.370 nan 0.000 0.499 339 Q N 2.605 122.388 119.800 -0.027 0.000 2.482 339 Q HA -0.067 4.273 4.340 -0.000 0.000 0.209 339 Q C 0.197 176.189 176.000 -0.013 0.000 0.961 339 Q CA 0.991 56.706 55.803 -0.146 0.000 0.945 339 Q CB 0.302 28.739 28.738 -0.500 0.000 1.012 339 Q HN 0.576 nan 8.270 nan 0.000 0.515 340 E N -0.002 120.184 120.200 -0.023 0.000 2.399 340 E HA 0.120 4.470 4.350 -0.000 0.000 0.206 340 E C -0.215 176.311 176.600 -0.124 0.000 0.812 340 E CA 0.056 56.364 56.400 -0.154 0.000 1.138 340 E CB 0.724 30.073 29.700 -0.586 0.000 1.140 340 E HN 0.251 nan 8.360 nan 0.000 0.536 341 D N 0.782 121.185 120.400 0.006 0.000 2.613 341 D HA 0.127 4.767 4.640 -0.000 0.000 0.312 341 D C 0.351 176.770 176.300 0.199 0.000 1.202 341 D CA -0.023 54.051 54.000 0.123 0.000 0.825 341 D CB 1.155 42.068 40.800 0.188 0.000 1.113 341 D HN 0.009 nan 8.370 nan 0.000 0.502 342 M N 0.204 119.928 119.600 0.207 0.000 2.254 342 M HA -0.005 4.475 4.480 -0.000 0.000 0.265 342 M C 1.673 178.100 176.300 0.211 0.000 1.066 342 M CA 1.303 56.718 55.300 0.193 0.000 1.123 342 M CB 0.045 32.777 32.600 0.219 0.000 1.388 342 M HN 0.397 nan 8.290 nan 0.000 0.425 343 W N 0.419 121.730 121.300 0.017 0.000 2.407 343 W HA 0.004 4.665 4.660 0.000 0.000 0.305 343 W C 1.716 178.330 176.519 0.159 0.000 1.196 343 W CA 1.662 59.033 57.345 0.042 0.000 1.311 343 W CB -0.997 28.340 29.460 -0.205 0.000 1.135 343 W HN 0.329 nan 8.180 nan 0.000 0.514 344 G N 1.514 110.528 108.800 0.357 0.000 3.248 344 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.228 344 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.228 344 G C 1.586 176.601 174.900 0.191 0.000 1.100 344 G CA 2.819 48.096 45.100 0.296 0.000 0.750 344 G HN 0.437 nan 8.290 nan 0.000 1.046 345 A N 0.231 123.175 122.820 0.206 0.000 1.859 345 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 345 A C 2.544 180.100 177.584 -0.048 0.000 1.209 345 A CA 2.489 54.626 52.037 0.166 0.000 0.639 345 A CB -0.778 18.378 19.000 0.260 0.000 0.835 345 A HN 0.911 nan 8.150 nan 0.000 0.450 346 I N -1.266 119.281 120.570 -0.038 0.000 2.145 346 I HA -0.371 3.799 4.170 -0.000 0.000 0.244 346 I C 2.329 178.367 176.117 -0.133 0.000 1.075 346 I CA 2.591 63.844 61.300 -0.079 0.000 1.332 346 I CB -0.215 37.693 38.000 -0.154 0.000 1.033 346 I HN 0.546 nan 8.210 nan 0.000 0.410 347 H N -0.005 118.924 119.070 -0.236 0.000 2.428 347 H HA 0.049 4.605 4.556 0.000 0.000 0.296 347 H C 2.148 177.359 175.328 -0.195 0.000 1.062 347 H CA 1.310 57.188 56.048 -0.283 0.000 1.350 347 H CB -0.222 29.199 29.762 -0.567 0.000 1.403 347 H HN 0.481 nan 8.280 nan 0.000 0.533 348 A N 0.103 122.812 122.820 -0.186 0.000 1.929 348 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 348 A C 2.082 179.304 177.584 -0.603 0.000 1.176 348 A CA 1.192 52.975 52.037 -0.422 0.000 0.628 348 A CB -0.979 17.555 19.000 -0.777 0.000 0.816 348 A HN 0.674 nan 8.150 nan 0.000 0.444 349 W N 0.628 121.385 121.300 -0.904 0.000 2.381 349 W HA -0.175 4.485 4.660 -0.000 0.000 0.301 349 W C 2.151 178.505 176.519 -0.274 0.000 1.205 349 W CA 1.973 58.907 57.345 -0.686 0.000 1.285 349 W CB -0.195 28.965 29.460 -0.500 0.000 1.133 349 W HN 0.376 nan 8.180 nan 0.000 0.521 350 Q N 0.861 120.513 119.800 -0.247 0.000 2.079 350 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 350 Q C 2.273 178.075 176.000 -0.329 0.000 0.974 350 Q CA 2.584 58.140 55.803 -0.412 0.000 0.840 350 Q CB -0.793 27.842 28.738 -0.171 0.000 0.898 350 Q HN 0.287 nan 8.270 nan 0.000 0.430 351 A N -0.107 122.592 122.820 -0.201 0.000 1.933 351 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 351 A C 2.033 179.539 177.584 -0.130 0.000 1.175 351 A CA 1.295 53.265 52.037 -0.111 0.000 0.628 351 A CB -0.641 18.341 19.000 -0.030 0.000 0.814 351 A HN 0.450 nan 8.150 nan 0.000 0.444 352 L N -1.050 120.064 121.223 -0.181 0.000 2.156 352 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 352 L C 2.573 179.334 176.870 -0.181 0.000 1.095 352 L CA 1.541 56.309 54.840 -0.121 0.000 0.770 352 L CB -0.264 41.769 42.059 -0.043 0.000 0.914 352 L HN 0.392 nan 8.230 nan 0.000 0.439 353 K N -0.111 120.071 120.400 -0.364 0.000 2.103 353 K HA -0.161 4.159 4.320 -0.000 0.000 0.204 353 K C 1.468 177.932 176.600 -0.227 0.000 1.052 353 K CA 1.290 57.352 56.287 -0.375 0.000 0.945 353 K CB 0.134 32.212 32.500 -0.703 0.000 0.722 353 K HN 0.220 nan 8.250 nan 0.000 0.443 354 D N 0.129 120.408 120.400 -0.202 0.000 2.224 354 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 354 D C 1.235 177.492 176.300 -0.071 0.000 0.965 354 D CA 0.868 54.796 54.000 -0.120 0.000 0.852 354 D CB 0.119 40.860 40.800 -0.098 0.000 0.947 354 D HN 0.259 nan 8.370 nan 0.000 0.494 355 A N 0.389 123.171 122.820 -0.064 0.000 2.278 355 A HA 0.037 4.357 4.320 -0.000 0.000 0.212 355 A C 0.200 177.773 177.584 -0.020 0.000 1.213 355 A CA 0.168 52.189 52.037 -0.027 0.000 0.840 355 A CB -0.082 18.912 19.000 -0.010 0.000 0.866 355 A HN 0.029 nan 8.150 nan 0.000 0.489 356 D N -1.028 119.351 120.400 -0.036 0.000 2.746 356 D HA -0.143 4.497 4.640 -0.000 0.000 0.241 356 D C -0.149 176.152 176.300 0.002 0.000 1.140 356 D CA 0.843 54.832 54.000 -0.019 0.000 0.707 356 D CB -1.613 39.182 40.800 -0.007 0.000 1.034 356 D HN 0.360 nan 8.370 nan 0.000 0.423 357 V N 2.040 121.955 119.914 0.001 0.000 2.599 357 V HA 0.009 4.129 4.120 -0.000 0.000 0.300 357 V C 0.953 177.076 176.094 0.049 0.000 1.034 357 V CA 0.332 62.652 62.300 0.033 0.000 1.115 357 V CB 0.811 32.664 31.823 0.051 0.000 0.934 357 V HN 0.171 nan 8.190 nan 0.000 0.485 358 K N 6.294 126.726 120.400 0.053 0.000 3.001 358 K HA 0.560 4.880 4.320 -0.000 0.000 0.257 358 K C -0.224 176.418 176.600 0.069 0.000 1.290 358 K CA 0.294 56.616 56.287 0.058 0.000 1.252 358 K CB 0.392 32.920 32.500 0.047 0.000 1.656 358 K HN 0.768 nan 8.250 nan 0.000 0.351 359 A N 1.114 123.988 122.820 0.090 0.000 2.605 359 A HA 0.473 4.793 4.320 -0.000 0.000 0.294 359 A C -2.936 174.742 177.584 0.157 0.000 1.062 359 A CA -1.300 50.798 52.037 0.102 0.000 0.682 359 A CB 1.044 20.090 19.000 0.077 0.000 1.278 359 A HN 0.019 nan 8.150 nan 0.000 0.410 360 P HA 0.165 nan 4.420 nan 0.000 0.260 360 P C -0.775 176.708 177.300 0.305 0.000 1.185 360 P CA 0.671 63.943 63.100 0.286 0.000 0.763 360 P CB 0.178 32.129 31.700 0.420 0.000 0.776 361 N N 2.185 121.074 118.700 0.316 0.000 2.682 361 N HA 0.231 4.971 4.740 -0.000 0.000 0.252 361 N C -1.308 174.561 175.510 0.599 0.000 1.081 361 N CA -0.255 53.059 53.050 0.440 0.000 0.844 361 N CB 0.548 39.224 38.487 0.315 0.000 1.167 361 N HN 0.063 nan 8.380 nan 0.000 0.523 362 T N 2.250 117.063 114.554 0.432 0.000 2.823 362 T HA 0.460 4.810 4.350 -0.000 0.000 0.279 362 T C -0.726 173.976 174.700 0.003 0.000 0.998 362 T CA -0.443 61.790 62.100 0.222 0.000 0.994 362 T CB 1.200 70.043 68.868 -0.041 0.000 0.960 362 T HN 0.325 nan 8.240 nan 0.000 0.448 363 L N 4.356 125.292 121.223 -0.477 0.000 2.296 363 L HA 0.747 5.087 4.340 -0.000 0.000 0.286 363 L C -1.187 175.359 176.870 -0.541 0.000 1.023 363 L CA -0.445 53.964 54.840 -0.718 0.000 0.812 363 L CB 1.201 42.279 42.059 -1.635 0.000 1.223 363 L HN 0.419 nan 8.230 nan 0.000 0.421 364 V N 6.707 126.386 119.914 -0.392 0.000 2.409 364 V HA 0.520 4.640 4.120 -0.000 0.000 0.291 364 V C -0.124 175.754 176.094 -0.360 0.000 1.020 364 V CA -0.366 61.690 62.300 -0.407 0.000 0.848 364 V CB 1.542 33.072 31.823 -0.488 0.000 0.990 364 V HN 0.791 nan 8.190 nan 0.000 0.430 365 M N 4.283 123.657 119.600 -0.376 0.000 2.093 365 M HA 0.567 5.047 4.480 -0.000 0.000 0.297 365 M C 0.359 176.316 176.300 -0.571 0.000 0.938 365 M CA -0.183 54.868 55.300 -0.413 0.000 0.920 365 M CB 1.957 34.297 32.600 -0.433 0.000 1.517 365 M HN 0.761 nan 8.290 nan 0.000 0.427 366 G N 2.430 110.564 108.800 -1.111 0.000 2.613 366 G HA2 0.699 4.659 3.960 -0.000 0.000 0.303 366 G HA3 0.699 4.659 3.960 -0.000 0.000 0.303 366 G C -2.705 171.201 174.900 -1.656 0.000 1.312 366 G CA -1.228 42.708 45.100 -1.941 0.000 1.036 366 G HN 0.417 nan 8.290 nan 0.000 0.513 367 P HA 0.198 nan 4.420 nan 0.000 0.214 367 P C -0.877 176.049 177.300 -0.624 0.000 1.807 367 P CA -0.183 62.220 63.100 -1.162 0.000 0.921 367 P CB -0.106 30.404 31.700 -1.984 0.000 1.835 368 W N 1.435 122.684 121.300 -0.086 0.000 2.762 368 W HA 0.464 5.124 4.660 -0.000 0.000 0.355 368 W C 0.749 177.335 176.519 0.112 0.000 1.124 368 W CA -0.786 56.578 57.345 0.032 0.000 1.141 368 W CB 0.481 29.937 29.460 -0.007 0.000 1.432 368 W HN -0.014 nan 8.180 nan 0.000 0.586 369 R N -0.303 120.407 120.500 0.349 0.000 2.524 369 R HA 0.370 4.710 4.340 -0.000 0.000 0.236 369 R C -0.201 176.242 176.300 0.238 0.000 1.240 369 R CA -0.790 55.442 56.100 0.220 0.000 1.111 369 R CB -0.298 30.072 30.300 0.118 0.000 1.436 369 R HN 0.354 nan 8.270 nan 0.000 0.573 370 H N -0.065 119.070 119.070 0.108 0.000 3.046 370 H HA 0.064 4.620 4.556 0.000 0.000 0.303 370 H C -0.320 175.109 175.328 0.167 0.000 1.002 370 H CA 1.403 57.531 56.048 0.134 0.000 1.460 370 H CB 0.087 29.922 29.762 0.121 0.000 1.493 370 H HN 0.706 nan 8.280 nan 0.000 0.559 371 S N 1.899 117.410 115.700 -0.315 0.000 3.127 371 S HA -0.229 4.241 4.470 -0.000 0.000 0.281 371 S C 1.804 176.447 174.600 0.073 0.000 1.293 371 S CA 0.896 58.995 58.200 -0.169 0.000 1.156 371 S CB -1.684 61.422 63.200 -0.157 0.000 1.389 371 S HN 1.006 nan 8.310 nan 0.000 0.672 372 G N 0.321 109.180 108.800 0.098 0.000 2.535 372 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.218 372 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.218 372 G C 1.155 175.883 174.900 -0.287 0.000 1.122 372 G CA 0.887 46.049 45.100 0.104 0.000 0.769 372 G HN 0.647 nan 8.290 nan 0.000 0.549 373 V N 0.968 120.594 119.914 -0.479 0.000 2.759 373 V HA -0.060 4.060 4.120 -0.000 0.000 0.256 373 V C 1.561 177.367 176.094 -0.480 0.000 1.080 373 V CA 1.521 63.294 62.300 -0.879 0.000 1.101 373 V CB -0.249 31.192 31.823 -0.637 0.000 0.698 373 V HN 0.352 nan 8.190 nan 0.000 0.477 374 N N -1.224 117.251 118.700 -0.374 0.000 2.268 374 N HA 0.147 4.887 4.740 -0.000 0.000 0.204 374 N C -0.323 174.708 175.510 -0.799 0.000 1.124 374 N CA 0.219 52.961 53.050 -0.513 0.000 0.838 374 N CB 0.423 38.566 38.487 -0.574 0.000 0.994 374 N HN 0.572 nan 8.380 nan 0.000 0.489 375 Y N -0.398 119.829 120.300 -0.122 0.000 3.345 375 Y HA 0.309 4.859 4.550 0.000 0.000 0.279 375 Y C 0.476 176.339 175.900 -0.062 0.000 1.980 375 Y CA -1.083 56.976 58.100 -0.068 0.000 0.912 375 Y CB 0.111 38.546 38.460 -0.042 0.000 1.460 375 Y HN -0.231 nan 8.280 nan 0.000 0.605 376 N N 0.525 119.331 118.700 0.177 0.000 2.422 376 N HA 0.231 4.971 4.740 -0.000 0.000 0.266 376 N C 0.001 175.602 175.510 0.152 0.000 1.007 376 N CA 0.113 53.236 53.050 0.120 0.000 0.941 376 N CB 1.504 40.052 38.487 0.102 0.000 1.115 376 N HN 0.863 nan 8.380 nan 0.000 0.492 377 G N 1.630 110.544 108.800 0.189 0.000 3.518 377 G HA2 0.008 3.968 3.960 -0.000 0.000 0.273 377 G HA3 0.008 3.968 3.960 -0.000 0.000 0.273 377 G C 0.925 176.062 174.900 0.395 0.000 1.199 377 G CA -0.204 45.114 45.100 0.363 0.000 0.899 377 G HN 0.524 nan 8.290 nan 0.000 0.533 378 S N -0.098 115.770 115.700 0.280 0.000 2.395 378 S HA 0.046 4.516 4.470 -0.000 0.000 0.225 378 S C 1.586 176.291 174.600 0.176 0.000 1.027 378 S CA 1.231 59.569 58.200 0.230 0.000 0.965 378 S CB 0.153 63.426 63.200 0.121 0.000 0.812 378 S HN 0.684 nan 8.310 nan 0.000 0.482 379 T N -1.070 113.566 114.554 0.138 0.000 2.804 379 T HA 0.741 5.091 4.350 -0.000 0.000 0.290 379 T C -1.430 173.325 174.700 0.092 0.000 1.099 379 T CA -0.799 61.252 62.100 -0.081 0.000 1.011 379 T CB 1.845 70.647 68.868 -0.109 0.000 1.291 379 T HN -0.020 nan 8.240 nan 0.000 0.523 380 L N 0.611 121.787 121.223 -0.078 0.000 2.929 380 L HA 0.556 4.896 4.340 -0.000 0.000 0.246 380 L C 0.398 177.156 176.870 -0.185 0.000 0.960 380 L CA 1.508 56.336 54.840 -0.021 0.000 1.056 380 L CB 0.557 42.706 42.059 0.149 0.000 1.437 380 L HN 1.630 nan 8.230 nan 0.000 0.514 381 G N 5.273 113.987 108.800 -0.143 0.000 2.531 381 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.274 381 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.274 381 G C -1.771 173.020 174.900 -0.182 0.000 1.159 381 G CA 0.164 45.173 45.100 -0.152 0.000 0.969 381 G HN 0.573 nan 8.290 nan 0.000 0.554 382 P HA 0.269 nan 4.420 nan 0.000 0.245 382 P C 0.889 177.987 177.300 -0.338 0.000 1.206 382 P CA 0.280 63.233 63.100 -0.244 0.000 0.781 382 P CB 0.056 31.605 31.700 -0.251 0.000 0.994 383 L N 0.413 121.383 121.223 -0.422 0.000 2.417 383 L HA 0.233 4.573 4.340 -0.000 0.000 0.268 383 L C 0.597 177.030 176.870 -0.727 0.000 1.158 383 L CA 0.032 54.538 54.840 -0.556 0.000 0.819 383 L CB 0.296 41.992 42.059 -0.606 0.000 1.112 383 L HN -0.130 nan 8.230 nan 0.000 0.458 384 E N 1.680 121.459 120.200 -0.701 0.000 2.224 384 E HA 0.493 4.843 4.350 -0.000 0.000 0.265 384 E C -1.366 174.893 176.600 -0.568 0.000 0.878 384 E CA -0.500 55.545 56.400 -0.592 0.000 0.759 384 E CB 1.718 31.256 29.700 -0.270 0.000 1.164 384 E HN 0.194 nan 8.360 nan 0.000 0.414 385 F N 0.545 120.490 119.950 -0.009 0.000 2.518 385 F HA 0.318 4.845 4.527 -0.000 0.000 0.338 385 F C 0.910 176.739 175.800 0.048 0.000 1.065 385 F CA -1.087 56.921 58.000 0.013 0.000 1.012 385 F CB 0.708 39.620 39.000 -0.147 0.000 1.297 385 F HN 0.205 nan 8.300 nan 0.000 0.489 386 E N 1.841 122.235 120.200 0.323 0.000 1.791 386 E HA 0.367 4.717 4.350 -0.000 0.000 0.263 386 E C 0.596 177.323 176.600 0.211 0.000 1.213 386 E CA 0.261 56.792 56.400 0.219 0.000 0.991 386 E CB -0.248 29.573 29.700 0.202 0.000 1.068 386 E HN 0.795 nan 8.360 nan 0.000 0.417 387 G N 3.270 112.176 108.800 0.176 0.000 2.782 387 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.228 387 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.228 387 G C -0.378 174.650 174.900 0.213 0.000 1.372 387 G CA -0.578 44.628 45.100 0.177 0.000 0.862 387 G HN 0.502 nan 8.290 nan 0.000 0.547 388 D N 0.953 121.484 120.400 0.218 0.000 2.398 388 D HA 0.329 4.969 4.640 -0.000 0.000 0.250 388 D C 2.168 178.670 176.300 0.336 0.000 1.287 388 D CA 0.815 54.965 54.000 0.249 0.000 0.992 388 D CB 0.100 41.030 40.800 0.217 0.000 1.071 388 D HN 0.710 nan 8.370 nan 0.000 0.514 389 T N 0.730 115.508 114.554 0.374 0.000 2.915 389 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 389 T C 1.798 176.969 174.700 0.786 0.000 1.071 389 T CA 0.869 63.299 62.100 0.550 0.000 1.132 389 T CB 0.042 68.998 68.868 0.145 0.000 0.878 389 T HN 0.255 nan 8.240 nan 0.000 0.479 390 A N 1.429 124.534 122.820 0.474 0.000 1.872 390 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 390 A C 2.233 179.900 177.584 0.138 0.000 1.187 390 A CA 1.771 53.806 52.037 -0.003 0.000 0.614 390 A CB -1.172 17.596 19.000 -0.386 0.000 0.826 390 A HN 0.682 nan 8.150 nan 0.000 0.442 391 H N -0.333 118.786 119.070 0.083 0.000 2.389 391 H HA -0.071 4.485 4.556 -0.000 0.000 0.299 391 H C 2.088 177.453 175.328 0.062 0.000 1.081 391 H CA 2.097 58.168 56.048 0.038 0.000 1.345 391 H CB -0.223 29.561 29.762 0.036 0.000 1.393 391 H HN 0.571 nan 8.280 nan 0.000 0.520 392 Q N -1.058 118.810 119.800 0.114 0.000 2.030 392 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 392 Q C 1.990 177.962 176.000 -0.046 0.000 0.986 392 Q CA 1.991 57.834 55.803 0.067 0.000 0.843 392 Q CB -0.372 28.585 28.738 0.365 0.000 0.904 392 Q HN 0.648 nan 8.270 nan 0.000 0.420 393 Y N 0.896 121.166 120.300 -0.051 0.000 2.181 393 Y HA -0.179 4.371 4.550 -0.000 0.000 0.288 393 Y C 1.983 177.811 175.900 -0.119 0.000 1.146 393 Y CA 1.498 59.488 58.100 -0.183 0.000 1.164 393 Y CB -0.052 38.389 38.460 -0.031 0.000 0.982 393 Y HN -0.081 nan 8.280 nan 0.000 0.515 394 R N -0.087 120.202 120.500 -0.352 0.000 2.096 394 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 394 R C 2.547 178.563 176.300 -0.474 0.000 1.127 394 R CA 1.701 57.565 56.100 -0.394 0.000 0.968 394 R CB -0.300 29.899 30.300 -0.168 0.000 0.861 394 R HN 0.356 nan 8.270 nan 0.000 0.440 395 R N 0.381 120.605 120.500 -0.461 0.000 2.112 395 R HA -0.066 4.274 4.340 -0.000 0.000 0.216 395 R C 0.881 176.995 176.300 -0.310 0.000 1.080 395 R CA 1.300 57.141 56.100 -0.431 0.000 0.996 395 R CB 0.244 30.231 30.300 -0.521 0.000 0.902 395 R HN 0.131 nan 8.270 nan 0.000 0.449 396 D N -0.402 119.837 120.400 -0.267 0.000 2.216 396 D HA -0.031 4.609 4.640 -0.000 0.000 0.208 396 D C 1.756 177.968 176.300 -0.147 0.000 0.960 396 D CA 0.830 54.724 54.000 -0.178 0.000 0.861 396 D CB 0.402 41.120 40.800 -0.135 0.000 0.985 396 D HN 0.097 nan 8.370 nan 0.000 0.493 397 V N 0.392 120.174 119.914 -0.220 0.000 2.840 397 V HA -0.017 4.103 4.120 -0.000 0.000 0.234 397 V C 1.905 177.933 176.094 -0.111 0.000 1.159 397 V CA 0.008 62.221 62.300 -0.145 0.000 1.194 397 V CB -0.255 31.503 31.823 -0.108 0.000 0.971 397 V HN -0.040 nan 8.190 nan 0.000 0.494 398 F N 2.406 121.957 119.950 -0.666 0.000 2.025 398 F HA -0.235 4.292 4.527 -0.000 0.000 0.297 398 F C 2.657 178.285 175.800 -0.286 0.000 1.132 398 F CA 2.629 60.292 58.000 -0.561 0.000 1.191 398 F CB -0.709 37.717 39.000 -0.955 0.000 0.963 398 F HN 0.096 nan 8.300 nan 0.000 0.481 399 R N 0.685 120.901 120.500 -0.474 0.000 2.080 399 R HA -0.146 4.194 4.340 -0.000 0.000 0.236 399 R C -0.845 175.365 176.300 -0.150 0.000 1.137 399 R CA 2.273 58.019 56.100 -0.591 0.000 0.943 399 R CB -1.877 27.962 30.300 -0.769 0.000 0.846 399 R HN 0.213 nan 8.270 nan 0.000 0.431 400 P HA -0.083 nan 4.420 nan 0.000 0.220 400 P C 0.845 178.235 177.300 0.150 0.000 1.148 400 P CA 0.916 64.029 63.100 0.022 0.000 0.803 400 P CB -0.171 31.527 31.700 -0.003 0.000 0.782 401 F N -0.926 119.097 119.950 0.121 0.000 2.186 401 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 401 F C 1.875 177.924 175.800 0.415 0.000 1.090 401 F CA 1.263 59.416 58.000 0.255 0.000 1.307 401 F CB -0.703 38.505 39.000 0.346 0.000 1.019 401 F HN -0.225 nan 8.300 nan 0.000 0.489 402 F N 0.849 120.900 119.950 0.169 0.000 2.206 402 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 402 F C 2.247 178.121 175.800 0.122 0.000 1.090 402 F CA 1.328 59.418 58.000 0.151 0.000 1.323 402 F CB -0.980 38.182 39.000 0.270 0.000 1.028 402 F HN -0.081 nan 8.300 nan 0.000 0.492 403 D N -0.097 120.458 120.400 0.258 0.000 2.178 403 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 403 D C 2.202 178.468 176.300 -0.056 0.000 0.980 403 D CA 0.961 55.038 54.000 0.128 0.000 0.842 403 D CB -0.294 40.551 40.800 0.074 0.000 0.948 403 D HN 0.331 nan 8.370 nan 0.000 0.472 404 E N -0.934 119.150 120.200 -0.193 0.000 2.160 404 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 404 E C 1.005 177.221 176.600 -0.639 0.000 0.991 404 E CA 0.961 57.070 56.400 -0.485 0.000 0.810 404 E CB 0.090 29.340 29.700 -0.751 0.000 0.742 404 E HN 0.439 nan 8.360 nan 0.000 0.466 405 Y N -1.335 118.846 120.300 -0.198 0.000 2.462 405 Y HA 0.188 4.738 4.550 0.000 0.000 0.253 405 Y C 1.688 177.481 175.900 -0.178 0.000 1.095 405 Y CA 0.023 57.997 58.100 -0.210 0.000 1.283 405 Y CB 0.489 38.767 38.460 -0.303 0.000 1.138 405 Y HN -0.049 nan 8.280 nan 0.000 0.522 406 L N -0.640 120.563 121.223 -0.033 0.000 2.556 406 L HA 0.201 4.541 4.340 -0.000 0.000 0.226 406 L C 0.148 176.950 176.870 -0.114 0.000 1.089 406 L CA 0.482 55.277 54.840 -0.075 0.000 0.864 406 L CB 0.293 42.321 42.059 -0.052 0.000 1.067 406 L HN -0.165 nan 8.230 nan 0.000 0.477 407 K N 1.132 121.478 120.400 -0.089 0.000 2.530 407 K HA 0.320 4.640 4.320 -0.000 0.000 0.230 407 K C -2.480 174.067 176.600 -0.088 0.000 1.002 407 K CA -1.825 54.404 56.287 -0.097 0.000 1.014 407 K CB 1.423 33.881 32.500 -0.069 0.000 1.286 407 K HN -0.238 nan 8.250 nan 0.000 0.480 408 P HA -0.060 nan 4.420 nan 0.000 0.261 408 P C 0.684 177.943 177.300 -0.069 0.000 1.183 408 P CA 1.027 64.082 63.100 -0.076 0.000 0.761 408 P CB 0.725 32.386 31.700 -0.065 0.000 0.785 409 G N 1.607 110.365 108.800 -0.071 0.000 2.195 409 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.224 409 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.224 409 G C 0.493 175.355 174.900 -0.063 0.000 0.990 409 G CA -0.174 44.890 45.100 -0.059 0.000 0.639 409 G HN 0.568 nan 8.290 nan 0.000 0.514 410 S N 0.628 116.281 115.700 -0.079 0.000 2.593 410 S HA 0.650 5.120 4.470 -0.000 0.000 0.269 410 S C 0.972 175.516 174.600 -0.093 0.000 1.334 410 S CA 0.250 58.402 58.200 -0.079 0.000 1.015 410 S CB 1.201 64.353 63.200 -0.080 0.000 0.912 410 S HN 1.590 nan 8.310 nan 0.000 0.541 411 A N 2.174 124.948 122.820 -0.077 0.000 2.498 411 A HA 0.328 4.648 4.320 -0.000 0.000 0.239 411 A C 0.509 178.021 177.584 -0.120 0.000 1.068 411 A CA -0.059 51.932 52.037 -0.077 0.000 0.766 411 A CB 0.034 19.002 19.000 -0.052 0.000 1.003 411 A HN 0.605 nan 8.150 nan 0.000 0.497 412 S N 0.147 115.767 115.700 -0.132 0.000 2.513 412 S HA 0.452 4.922 4.470 -0.000 0.000 0.276 412 S C 0.035 174.474 174.600 -0.269 0.000 1.254 412 S CA -0.287 57.774 58.200 -0.231 0.000 1.053 412 S CB 0.422 63.492 63.200 -0.217 0.000 0.958 412 S HN 1.220 nan 8.310 nan 0.000 0.491 413 V N 3.209 122.961 119.914 -0.271 0.000 2.513 413 V HA 0.586 4.706 4.120 -0.000 0.000 0.299 413 V C -0.643 175.315 176.094 -0.226 0.000 1.035 413 V CA -0.690 61.523 62.300 -0.144 0.000 0.889 413 V CB 1.418 33.280 31.823 0.064 0.000 0.988 413 V HN 0.853 nan 8.190 nan 0.000 0.440 414 H N 5.293 124.446 119.070 0.139 0.000 2.643 414 H HA 0.468 5.024 4.556 -0.000 0.000 0.259 414 H C -0.336 175.085 175.328 0.156 0.000 1.298 414 H CA -0.351 55.787 56.048 0.150 0.000 1.301 414 H CB 1.221 31.048 29.762 0.109 0.000 1.422 414 H HN 0.603 nan 8.280 nan 0.000 0.521 415 L N 4.438 125.804 121.223 0.239 0.000 2.426 415 L HA 0.153 4.493 4.340 -0.000 0.000 0.271 415 L C -1.331 175.648 176.870 0.181 0.000 1.169 415 L CA -1.463 53.477 54.840 0.168 0.000 0.836 415 L CB 0.398 42.476 42.059 0.030 0.000 1.112 415 L HN 0.326 nan 8.230 nan 0.000 0.465 416 P HA 0.133 nan 4.420 nan 0.000 0.297 416 P C -0.096 177.312 177.300 0.180 0.000 1.303 416 P CA -0.427 62.781 63.100 0.179 0.000 0.753 416 P CB 0.863 32.673 31.700 0.184 0.000 1.281 417 D N -1.013 119.535 120.400 0.246 0.000 2.097 417 D HA 0.065 4.705 4.640 -0.000 0.000 0.195 417 D C 0.485 176.929 176.300 0.240 0.000 0.989 417 D CA 1.457 55.684 54.000 0.379 0.000 0.827 417 D CB -0.230 40.862 40.800 0.486 0.000 0.966 417 D HN 0.515 nan 8.370 nan 0.000 0.456 418 A N -0.751 122.093 122.820 0.039 0.000 2.549 418 A HA 0.643 4.963 4.320 -0.000 0.000 0.297 418 A C -1.361 176.014 177.584 -0.349 0.000 1.061 418 A CA -0.587 51.266 52.037 -0.307 0.000 0.690 418 A CB 1.257 19.868 19.000 -0.647 0.000 1.287 418 A HN 0.036 nan 8.150 nan 0.000 0.402 419 I N 2.496 122.783 120.570 -0.470 0.000 2.437 419 I HA 0.387 4.557 4.170 -0.000 0.000 0.279 419 I C -1.104 174.808 176.117 -0.341 0.000 1.028 419 I CA 0.024 60.997 61.300 -0.546 0.000 1.142 419 I CB 0.973 38.540 38.000 -0.721 0.000 1.266 419 I HN 0.472 nan 8.210 nan 0.000 0.461 420 I N 5.382 125.787 120.570 -0.275 0.000 2.509 420 I HA 0.325 4.495 4.170 -0.000 0.000 0.293 420 I C -0.528 175.499 176.117 -0.149 0.000 1.020 420 I CA -0.935 60.226 61.300 -0.231 0.000 1.088 420 I CB 1.653 39.398 38.000 -0.425 0.000 1.267 420 I HN 0.329 nan 8.210 nan 0.000 0.430 421 Y N 5.355 125.337 120.300 -0.529 0.000 2.336 421 Y HA 0.185 4.735 4.550 0.000 0.000 0.331 421 Y C 0.413 175.983 175.900 -0.549 0.000 1.211 421 Y CA 0.026 57.597 58.100 -0.883 0.000 1.346 421 Y CB 0.682 38.259 38.460 -1.472 0.000 1.271 421 Y HN 0.528 nan 8.280 nan 0.000 0.538 422 N N 3.498 121.634 118.700 -0.939 0.000 2.462 422 N HA 0.017 4.757 4.740 -0.000 0.000 0.242 422 N C 0.467 175.682 175.510 -0.492 0.000 1.010 422 N CA 0.360 53.072 53.050 -0.564 0.000 0.939 422 N CB 1.129 39.350 38.487 -0.444 0.000 1.127 422 N HN 0.914 nan 8.380 nan 0.000 0.509 423 T N -0.132 114.322 114.554 -0.167 0.000 3.098 423 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 423 T C 1.408 176.149 174.700 0.069 0.000 1.145 423 T CA 0.877 63.053 62.100 0.127 0.000 1.092 423 T CB 0.149 69.157 68.868 0.234 0.000 0.908 423 T HN 0.456 nan 8.240 nan 0.000 0.526 424 G N 0.636 109.261 108.800 -0.291 0.000 2.742 424 G HA2 0.089 4.049 3.960 -0.000 0.000 0.204 424 G HA3 0.089 4.049 3.960 -0.000 0.000 0.204 424 G C 1.180 175.909 174.900 -0.286 0.000 1.126 424 G CA 0.048 44.855 45.100 -0.487 0.000 0.829 424 G HN 0.362 nan 8.290 nan 0.000 0.574 425 D N 0.499 120.727 120.400 -0.286 0.000 2.277 425 D HA 0.052 4.692 4.640 -0.000 0.000 0.208 425 D C 0.522 176.688 176.300 -0.222 0.000 0.962 425 D CA 0.428 54.292 54.000 -0.227 0.000 0.865 425 D CB 0.164 40.830 40.800 -0.223 0.000 0.939 425 D HN 0.108 nan 8.370 nan 0.000 0.510 426 Q N -0.455 119.159 119.800 -0.309 0.000 2.464 426 Q HA -0.207 4.133 4.340 -0.000 0.000 0.304 426 Q C -0.513 175.247 176.000 -0.400 0.000 1.401 426 Q CA 0.796 56.436 55.803 -0.273 0.000 0.806 426 Q CB -2.122 26.620 28.738 0.008 0.000 1.134 426 Q HN 0.568 nan 8.270 nan 0.000 0.411 427 K N -2.704 117.209 120.400 -0.811 0.000 2.607 427 K HA 0.605 4.925 4.320 -0.000 0.000 0.287 427 K C -1.287 174.913 176.600 -0.666 0.000 0.996 427 K CA -1.013 54.961 56.287 -0.523 0.000 0.876 427 K CB 0.688 33.062 32.500 -0.209 0.000 1.496 427 K HN -0.012 nan 8.250 nan 0.000 0.415 428 W N 1.785 122.975 121.300 -0.184 0.000 2.311 428 W HA 0.254 4.914 4.660 -0.000 0.000 0.310 428 W C -0.494 175.953 176.519 -0.120 0.000 1.274 428 W CA 0.167 57.448 57.345 -0.107 0.000 1.215 428 W CB 0.966 30.489 29.460 0.106 0.000 1.227 428 W HN 0.366 nan 8.180 nan 0.000 0.523 429 D N 2.735 123.123 120.400 -0.019 0.000 2.233 429 D HA 0.146 4.786 4.640 -0.000 0.000 0.240 429 D C -1.151 174.912 176.300 -0.395 0.000 1.074 429 D CA -0.512 53.315 54.000 -0.287 0.000 0.838 429 D CB 1.109 41.556 40.800 -0.589 0.000 1.124 429 D HN 0.180 nan 8.370 nan 0.000 0.475 430 Y N 2.078 122.116 120.300 -0.438 0.000 2.491 430 Y HA 0.218 4.768 4.550 0.000 0.000 0.334 430 Y C -0.448 175.273 175.900 -0.298 0.000 0.969 430 Y CA -0.693 57.235 58.100 -0.286 0.000 1.241 430 Y CB 0.378 38.758 38.460 -0.133 0.000 1.105 430 Y HN 0.220 nan 8.280 nan 0.000 0.503 431 Y N 2.890 123.225 120.300 0.057 0.000 2.404 431 Y HA 0.320 4.870 4.550 -0.000 0.000 0.344 431 Y C 1.555 177.548 175.900 0.154 0.000 0.970 431 Y CA -0.957 57.215 58.100 0.119 0.000 1.180 431 Y CB 0.870 39.423 38.460 0.155 0.000 1.138 431 Y HN 0.524 nan 8.280 nan 0.000 0.510 432 R N 1.041 121.722 120.500 0.301 0.000 2.096 432 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 432 R C -0.052 176.400 176.300 0.253 0.000 1.127 432 R CA 0.953 57.194 56.100 0.235 0.000 0.968 432 R CB 0.175 30.581 30.300 0.176 0.000 0.861 432 R HN 0.503 nan 8.270 nan 0.000 0.440 433 S N -0.560 115.307 115.700 0.279 0.000 2.707 433 S HA 0.370 4.840 4.470 -0.000 0.000 0.303 433 S C -2.071 172.714 174.600 0.309 0.000 1.132 433 S CA -0.692 57.656 58.200 0.246 0.000 1.046 433 S CB 0.664 63.951 63.200 0.146 0.000 1.004 433 S HN 0.306 nan 8.310 nan 0.000 0.483 434 W N 6.640 128.025 121.300 0.141 0.000 3.129 434 W HA 0.596 5.256 4.660 -0.000 0.000 0.333 434 W C -2.900 173.726 176.519 0.178 0.000 1.141 434 W CA -1.640 55.748 57.345 0.072 0.000 1.224 434 W CB 1.508 30.995 29.460 0.044 0.000 1.393 434 W HN 0.441 nan 8.180 nan 0.000 0.499 435 P HA 0.231 nan 4.420 nan 0.000 0.279 435 P C 0.324 177.330 177.300 -0.490 0.000 1.252 435 P CA -0.254 62.130 63.100 -1.193 0.000 0.811 435 P CB 1.673 32.545 31.700 -1.381 0.000 1.035 436 S N -0.279 115.175 115.700 -0.409 0.000 2.470 436 S HA 0.120 4.590 4.470 -0.000 0.000 0.225 436 S C 0.686 175.173 174.600 -0.188 0.000 1.006 436 S CA 0.257 58.337 58.200 -0.200 0.000 0.934 436 S CB -0.721 62.405 63.200 -0.123 0.000 0.778 436 S HN 0.402 nan 8.310 nan 0.000 0.517 437 V N -0.560 119.203 119.914 -0.251 0.000 2.709 437 V HA 0.898 5.018 4.120 -0.000 0.000 0.308 437 V C -0.279 175.684 176.094 -0.218 0.000 1.062 437 V CA -0.828 61.360 62.300 -0.188 0.000 0.901 437 V CB 0.389 32.128 31.823 -0.140 0.000 1.003 437 V HN 0.836 nan 8.190 nan 0.000 0.425 438 C N 2.247 121.453 119.300 -0.157 0.000 3.260 438 C HA 0.540 5.000 4.460 -0.000 0.000 0.366 438 C C 1.162 176.104 174.990 -0.081 0.000 1.537 438 C CA 0.108 59.041 59.018 -0.140 0.000 1.160 438 C CB 1.105 28.738 27.740 -0.178 0.000 1.760 438 C HN 0.984 nan 8.230 nan 0.000 0.432 439 E N 1.405 121.573 120.200 -0.053 0.000 2.038 439 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 439 E C 0.809 177.399 176.600 -0.016 0.000 1.000 439 E CA 2.237 58.631 56.400 -0.010 0.000 0.803 439 E CB -0.142 29.579 29.700 0.034 0.000 0.750 439 E HN 0.927 nan 8.360 nan 0.000 0.448 440 S N -1.064 114.620 115.700 -0.026 0.000 2.550 440 S HA 0.401 4.871 4.470 -0.000 0.000 0.270 440 S C -0.608 173.969 174.600 -0.038 0.000 1.145 440 S CA -0.773 57.411 58.200 -0.026 0.000 0.852 440 S CB 1.648 64.841 63.200 -0.011 0.000 1.119 440 S HN 0.256 nan 8.310 nan 0.000 0.465 441 N N -1.088 117.591 118.700 -0.035 0.000 2.756 441 N HA -0.128 4.612 4.740 -0.000 0.000 0.248 441 N C -0.776 174.701 175.510 -0.054 0.000 1.062 441 N CA 0.934 53.961 53.050 -0.039 0.000 0.696 441 N CB -1.845 36.620 38.487 -0.037 0.000 0.946 441 N HN 0.777 nan 8.380 nan 0.000 0.548 442 C N -1.839 117.427 119.300 -0.057 0.000 3.213 442 C HA 0.505 4.965 4.460 -0.000 0.000 0.319 442 C C 2.131 177.088 174.990 -0.055 0.000 1.386 442 C CA -0.350 58.625 59.018 -0.071 0.000 1.494 442 C CB 1.409 29.089 27.740 -0.100 0.000 1.905 442 C HN 0.554 nan 8.230 nan 0.000 0.456 443 T N 0.563 115.083 114.554 -0.057 0.000 2.821 443 T HA 0.166 4.516 4.350 -0.000 0.000 0.267 443 T C 0.669 175.344 174.700 -0.042 0.000 1.046 443 T CA 1.507 63.583 62.100 -0.040 0.000 1.139 443 T CB -0.159 68.689 68.868 -0.034 0.000 0.871 443 T HN 0.948 nan 8.240 nan 0.000 0.454 444 G N -0.694 108.072 108.800 -0.057 0.000 2.642 444 G HA2 0.607 4.567 3.960 -0.000 0.000 0.293 444 G HA3 0.607 4.567 3.960 -0.000 0.000 0.293 444 G C -0.373 174.491 174.900 -0.060 0.000 1.341 444 G CA -0.404 44.664 45.100 -0.053 0.000 0.916 444 G HN 0.328 nan 8.290 nan 0.000 0.474 445 G N -1.280 107.491 108.800 -0.048 0.000 2.535 445 G HA2 0.558 4.518 3.960 -0.000 0.000 0.303 445 G HA3 0.558 4.518 3.960 -0.000 0.000 0.303 445 G C -0.261 174.609 174.900 -0.050 0.000 1.237 445 G CA -0.828 44.246 45.100 -0.045 0.000 0.986 445 G HN 0.615 nan 8.290 nan 0.000 0.494 446 L N -0.248 120.950 121.223 -0.043 0.000 2.375 446 L HA 0.363 4.703 4.340 -0.000 0.000 0.271 446 L C 0.311 177.162 176.870 -0.031 0.000 1.107 446 L CA -0.506 54.308 54.840 -0.044 0.000 0.806 446 L CB 1.609 43.640 42.059 -0.047 0.000 1.146 446 L HN 0.326 nan 8.230 nan 0.000 0.447 447 T N 2.491 117.032 114.554 -0.022 0.000 2.744 447 T HA 0.340 4.690 4.350 -0.000 0.000 0.291 447 T C -2.501 172.197 174.700 -0.004 0.000 0.957 447 T CA -1.333 60.768 62.100 0.001 0.000 1.002 447 T CB 1.074 69.941 68.868 -0.000 0.000 0.919 447 T HN 0.280 nan 8.240 nan 0.000 0.468 448 P HA 0.282 nan 4.420 nan 0.000 0.282 448 P C -0.737 176.309 177.300 -0.424 0.000 1.274 448 P CA -0.767 62.126 63.100 -0.347 0.000 0.770 448 P CB 0.505 31.833 31.700 -0.620 0.000 0.867 449 L N 6.097 127.102 121.223 -0.363 0.000 2.314 449 L HA 0.351 4.691 4.340 -0.000 0.000 0.275 449 L C -0.864 175.789 176.870 -0.362 0.000 1.068 449 L CA -0.836 53.771 54.840 -0.389 0.000 0.894 449 L CB -0.962 40.864 42.059 -0.389 0.000 1.275 449 L HN 0.189 nan 8.230 nan 0.000 0.432 450 Y N 3.764 123.995 120.300 -0.115 0.000 2.480 450 Y HA 0.217 4.767 4.550 -0.000 0.000 0.338 450 Y C 0.290 176.080 175.900 -0.182 0.000 1.220 450 Y CA -0.085 57.955 58.100 -0.101 0.000 1.430 450 Y CB 0.327 38.768 38.460 -0.031 0.000 1.311 450 Y HN 0.372 nan 8.280 nan 0.000 0.575 451 L N 2.561 123.751 121.223 -0.054 0.000 2.326 451 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 451 L C 0.315 177.052 176.870 -0.222 0.000 1.092 451 L CA 0.178 54.833 54.840 -0.308 0.000 0.810 451 L CB 0.698 42.401 42.059 -0.593 0.000 1.153 451 L HN 0.859 nan 8.230 nan 0.000 0.439 452 A N 2.305 124.972 122.820 -0.254 0.000 2.470 452 A HA 0.499 4.819 4.320 -0.000 0.000 0.271 452 A C -0.748 176.546 177.584 -0.483 0.000 1.269 452 A CA -0.683 51.175 52.037 -0.298 0.000 0.828 452 A CB 0.634 19.562 19.000 -0.121 0.000 1.374 452 A HN 0.599 nan 8.150 nan 0.000 0.454 453 D N -0.598 119.640 120.400 -0.270 0.000 2.362 453 D HA 0.389 5.029 4.640 -0.000 0.000 0.242 453 D C 1.060 177.306 176.300 -0.090 0.000 1.132 453 D CA 1.774 55.688 54.000 -0.143 0.000 0.907 453 D CB 0.772 41.571 40.800 -0.002 0.000 1.195 453 D HN 1.319 nan 8.370 nan 0.000 0.429 454 G N 2.725 111.497 108.800 -0.045 0.000 2.198 454 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 454 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 454 G C 0.409 175.355 174.900 0.077 0.000 1.042 454 G CA 0.541 45.661 45.100 0.034 0.000 0.791 454 G HN 0.869 nan 8.290 nan 0.000 0.502 455 H N -2.341 116.650 119.070 -0.131 0.000 2.713 455 H HA -0.157 4.399 4.556 -0.000 0.000 0.311 455 H C 1.252 176.546 175.328 -0.056 0.000 1.175 455 H CA 1.645 57.549 56.048 -0.240 0.000 1.143 455 H CB -1.363 28.200 29.762 -0.332 0.000 1.434 455 H HN 1.434 nan 8.280 nan 0.000 0.418 456 G N -0.066 108.790 108.800 0.094 0.000 2.568 456 G HA2 0.651 4.611 3.960 -0.000 0.000 0.313 456 G HA3 0.651 4.611 3.960 -0.000 0.000 0.313 456 G C -0.441 174.491 174.900 0.054 0.000 1.227 456 G CA -0.846 44.293 45.100 0.065 0.000 0.979 456 G HN 0.118 nan 8.290 nan 0.000 0.486 457 L N 0.509 121.718 121.223 -0.023 0.000 2.385 457 L HA 0.662 5.002 4.340 -0.000 0.000 0.273 457 L C -0.087 176.687 176.870 -0.161 0.000 0.990 457 L CA -0.620 54.155 54.840 -0.109 0.000 0.821 457 L CB 2.282 44.249 42.059 -0.153 0.000 1.279 457 L HN 0.570 nan 8.230 nan 0.000 0.412 458 S N 0.684 116.292 115.700 -0.155 0.000 2.588 458 S HA 0.553 5.023 4.470 -0.000 0.000 0.275 458 S C 0.070 174.609 174.600 -0.102 0.000 1.130 458 S CA -0.428 57.693 58.200 -0.132 0.000 0.855 458 S CB 1.146 64.339 63.200 -0.012 0.000 1.116 458 S HN 0.425 nan 8.310 nan 0.000 0.472 459 F N 1.566 121.565 119.950 0.082 0.000 2.615 459 F HA 0.195 4.722 4.527 0.000 0.000 0.297 459 F C 1.517 177.448 175.800 0.218 0.000 1.124 459 F CA 0.425 58.490 58.000 0.108 0.000 1.451 459 F CB -0.070 38.958 39.000 0.046 0.000 1.103 459 F HN 0.369 nan 8.300 nan 0.000 0.569 460 T N 0.400 115.142 114.554 0.313 0.000 2.817 460 T HA 0.016 4.366 4.350 -0.000 0.000 0.293 460 T C -0.104 174.665 174.700 0.114 0.000 0.964 460 T CA -0.403 61.821 62.100 0.207 0.000 1.085 460 T CB 0.384 69.317 68.868 0.107 0.000 0.921 460 T HN 0.135 nan 8.240 nan 0.000 0.502 461 H N 5.270 124.264 119.070 -0.126 0.000 3.026 461 H HA 0.122 4.678 4.556 -0.000 0.000 0.289 461 H C -2.432 172.700 175.328 -0.327 0.000 1.022 461 H CA -1.494 54.205 56.048 -0.582 0.000 1.477 461 H CB 0.471 29.902 29.762 -0.551 0.000 1.510 461 H HN 0.267 nan 8.280 nan 0.000 0.535 462 P HA 0.136 nan 4.420 nan 0.000 0.281 462 P C 0.127 176.955 177.300 -0.787 0.000 1.286 462 P CA -0.232 62.544 63.100 -0.539 0.000 0.772 462 P CB 1.217 32.741 31.700 -0.292 0.000 0.862 463 A N 3.829 126.349 122.820 -0.499 0.000 1.897 463 A HA 0.194 4.514 4.320 -0.000 0.000 0.215 463 A C 1.236 178.700 177.584 -0.199 0.000 1.181 463 A CA 1.020 52.863 52.037 -0.322 0.000 0.620 463 A CB -0.964 17.956 19.000 -0.132 0.000 0.821 463 A HN 0.591 nan 8.150 nan 0.000 0.443 464 A N 0.881 123.606 122.820 -0.159 0.000 2.488 464 A HA 0.387 4.707 4.320 -0.000 0.000 0.249 464 A C -0.323 177.187 177.584 -0.123 0.000 1.083 464 A CA -0.352 51.621 52.037 -0.108 0.000 0.768 464 A CB -0.010 18.944 19.000 -0.076 0.000 1.017 464 A HN 0.415 nan 8.150 nan 0.000 0.496 465 D N 0.486 120.818 120.400 -0.113 0.000 2.362 465 D HA 0.544 5.184 4.640 -0.000 0.000 0.242 465 D C 0.474 176.590 176.300 -0.306 0.000 1.132 465 D CA 1.458 55.359 54.000 -0.164 0.000 0.907 465 D CB 1.545 42.317 40.800 -0.048 0.000 1.195 465 D HN 0.861 nan 8.370 nan 0.000 0.429 466 G N -1.087 107.295 108.800 -0.697 0.000 2.489 466 G HA2 0.606 4.566 3.960 -0.000 0.000 0.291 466 G HA3 0.606 4.566 3.960 -0.000 0.000 0.291 466 G C -2.001 172.102 174.900 -1.328 0.000 1.487 466 G CA -0.100 44.504 45.100 -0.828 0.000 0.795 466 G HN 0.581 nan 8.290 nan 0.000 0.513 467 A N 0.391 122.827 122.820 -0.640 0.000 2.589 467 A HA 0.763 5.083 4.320 -0.000 0.000 0.296 467 A C -1.934 175.672 177.584 0.037 0.000 1.062 467 A CA -0.681 51.176 52.037 -0.299 0.000 0.686 467 A CB 1.954 20.846 19.000 -0.180 0.000 1.282 467 A HN 0.505 nan 8.150 nan 0.000 0.404 468 D N 1.289 121.790 120.400 0.169 0.000 2.362 468 D HA 0.661 5.301 4.640 -0.000 0.000 0.247 468 D C -0.344 176.088 176.300 0.220 0.000 1.050 468 D CA 0.087 54.188 54.000 0.168 0.000 0.839 468 D CB 2.107 42.969 40.800 0.103 0.000 1.283 468 D HN 0.438 nan 8.370 nan 0.000 0.477 469 S N 1.006 116.827 115.700 0.202 0.000 2.621 469 S HA 0.779 5.249 4.470 -0.000 0.000 0.302 469 S C -0.789 173.989 174.600 0.297 0.000 1.093 469 S CA -0.869 57.451 58.200 0.200 0.000 1.017 469 S CB 1.478 64.744 63.200 0.110 0.000 1.077 469 S HN 0.523 nan 8.310 nan 0.000 0.517 470 Y N -2.314 118.065 120.300 0.132 0.000 2.521 470 Y HA 0.686 5.236 4.550 -0.000 0.000 0.332 470 Y C -1.748 174.215 175.900 0.104 0.000 1.121 470 Y CA -1.386 56.782 58.100 0.113 0.000 1.037 470 Y CB 0.352 38.885 38.460 0.121 0.000 1.330 470 Y HN 0.350 nan 8.280 nan 0.000 0.452 471 V N 3.153 123.166 119.914 0.166 0.000 2.383 471 V HA 0.393 4.513 4.120 -0.000 0.000 0.275 471 V C -0.023 176.155 176.094 0.140 0.000 1.036 471 V CA -0.329 62.018 62.300 0.078 0.000 0.889 471 V CB 1.233 33.102 31.823 0.076 0.000 0.985 471 V HN 0.822 nan 8.190 nan 0.000 0.459 472 S N 3.802 119.542 115.700 0.066 0.000 2.404 472 S HA 0.253 4.723 4.470 -0.000 0.000 0.309 472 S C -0.517 174.128 174.600 0.074 0.000 1.076 472 S CA -0.646 57.616 58.200 0.103 0.000 1.095 472 S CB 0.215 63.438 63.200 0.039 0.000 0.972 472 S HN 0.822 nan 8.310 nan 0.000 0.484 473 D N 5.444 125.908 120.400 0.106 0.000 2.373 473 D HA 0.437 5.077 4.640 -0.000 0.000 0.227 473 D C -1.799 174.548 176.300 0.078 0.000 1.091 473 D CA -2.293 51.772 54.000 0.108 0.000 0.840 473 D CB 1.803 42.704 40.800 0.169 0.000 1.060 473 D HN 0.218 nan 8.370 nan 0.000 0.502 474 P HA 0.011 nan 4.420 nan 0.000 0.226 474 P C 0.736 177.935 177.300 -0.167 0.000 1.153 474 P CA 0.572 63.652 63.100 -0.032 0.000 0.777 474 P CB 0.304 32.058 31.700 0.090 0.000 0.794 475 A N -1.219 121.525 122.820 -0.128 0.000 2.067 475 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 475 A C 0.445 177.741 177.584 -0.480 0.000 1.156 475 A CA 1.071 52.928 52.037 -0.300 0.000 0.683 475 A CB -1.008 17.841 19.000 -0.251 0.000 0.808 475 A HN 0.265 nan 8.150 nan 0.000 0.455 476 H N -0.371 118.690 119.070 -0.014 0.000 2.380 476 H HA 0.300 4.856 4.556 -0.000 0.000 0.231 476 H C -2.798 172.580 175.328 0.083 0.000 1.415 476 H CA -1.736 54.351 56.048 0.065 0.000 1.433 476 H CB 0.576 30.383 29.762 0.075 0.000 1.544 476 H HN 0.280 nan 8.280 nan 0.000 0.503 477 P HA 0.017 nan 4.420 nan 0.000 0.274 477 P C 0.064 177.563 177.300 0.331 0.000 1.231 477 P CA -0.400 62.767 63.100 0.111 0.000 0.790 477 P CB 1.609 33.194 31.700 -0.192 0.000 0.951 478 V N 3.719 123.813 119.914 0.300 0.000 2.479 478 V HA 0.111 4.231 4.120 -0.000 0.000 0.281 478 V C -1.965 174.400 176.094 0.452 0.000 1.031 478 V CA -1.381 61.110 62.300 0.317 0.000 1.038 478 V CB -0.123 31.843 31.823 0.238 0.000 0.981 478 V HN 0.540 nan 8.190 nan 0.000 0.478 479 P HA 0.093 nan 4.420 nan 0.000 0.271 479 P C 0.499 177.991 177.300 0.320 0.000 1.220 479 P CA -0.301 63.017 63.100 0.363 0.000 0.768 479 P CB 0.340 32.092 31.700 0.086 0.000 0.848 480 F N 4.918 124.899 119.950 0.052 0.000 2.293 480 F HA 0.079 4.606 4.527 -0.000 0.000 0.300 480 F C 0.522 176.232 175.800 -0.150 0.000 1.086 480 F CA 0.332 58.241 58.000 -0.152 0.000 1.375 480 F CB -0.733 37.750 39.000 -0.862 0.000 1.045 480 F HN 0.149 nan 8.300 nan 0.000 0.516 481 I N -3.483 116.627 120.570 -0.766 0.000 3.004 481 I HA 0.449 4.619 4.170 -0.000 0.000 0.305 481 I C -0.195 175.688 176.117 -0.389 0.000 1.312 481 I CA -1.441 59.483 61.300 -0.627 0.000 0.992 481 I CB 1.583 39.007 38.000 -0.959 0.000 1.282 481 I HN -0.291 nan 8.210 nan 0.000 0.449 482 S N 2.005 117.565 115.700 -0.234 0.000 2.573 482 S HA 0.091 4.561 4.470 -0.000 0.000 0.297 482 S C 0.220 174.744 174.600 -0.127 0.000 1.280 482 S CA -0.147 57.965 58.200 -0.147 0.000 1.061 482 S CB -0.039 63.100 63.200 -0.102 0.000 0.812 482 S HN 0.451 nan 8.310 nan 0.000 0.500 483 R N 2.748 123.181 120.500 -0.112 0.000 2.490 483 R HA 0.347 4.687 4.340 -0.000 0.000 0.278 483 R C -1.957 174.315 176.300 -0.046 0.000 1.069 483 R CA -1.292 54.756 56.100 -0.087 0.000 1.080 483 R CB 0.159 30.354 30.300 -0.174 0.000 1.030 483 R HN 0.461 nan 8.270 nan 0.000 0.491 484 P HA 0.315 nan 4.420 nan 0.000 0.282 484 P C -1.383 175.968 177.300 0.086 0.000 1.259 484 P CA -0.369 62.743 63.100 0.021 0.000 0.826 484 P CB 0.829 32.536 31.700 0.011 0.000 1.064 485 F N 0.212 120.108 119.950 -0.090 0.000 2.596 485 F HA 0.632 5.159 4.527 0.000 0.000 0.311 485 F C -1.780 173.918 175.800 -0.171 0.000 1.116 485 F CA -0.555 57.359 58.000 -0.144 0.000 0.957 485 F CB 1.727 40.594 39.000 -0.221 0.000 1.250 485 F HN 0.572 nan 8.300 nan 0.000 0.444 486 A N 4.617 126.730 122.820 -1.178 0.000 2.401 486 A HA 0.603 4.923 4.320 -0.000 0.000 0.310 486 A C -0.556 176.165 177.584 -1.438 0.000 1.075 486 A CA -0.564 50.899 52.037 -0.957 0.000 0.746 486 A CB 0.572 19.327 19.000 -0.408 0.000 1.277 486 A HN 0.774 nan 8.150 nan 0.000 0.425 487 F N 1.323 120.808 119.950 -0.776 0.000 2.408 487 F HA -0.057 4.470 4.527 -0.000 0.000 0.300 487 F C 2.475 178.047 175.800 -0.379 0.000 1.090 487 F CA 1.814 59.467 58.000 -0.579 0.000 1.427 487 F CB -0.198 38.559 39.000 -0.406 0.000 1.070 487 F HN 0.642 nan 8.300 nan 0.000 0.549 488 A N -0.721 122.008 122.820 -0.152 0.000 2.066 488 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 488 A C 1.301 178.849 177.584 -0.060 0.000 1.157 488 A CA 0.312 52.304 52.037 -0.075 0.000 0.670 488 A CB -0.627 18.338 19.000 -0.059 0.000 0.804 488 A HN 0.351 nan 8.150 nan 0.000 0.453 489 Q N 0.987 120.710 119.800 -0.128 0.000 2.513 489 Q HA 0.202 4.542 4.340 -0.000 0.000 0.227 489 Q C 0.726 176.817 176.000 0.153 0.000 1.257 489 Q CA -0.195 55.599 55.803 -0.014 0.000 0.915 489 Q CB 0.247 28.955 28.738 -0.050 0.000 1.507 489 Q HN 0.529 nan 8.270 nan 0.000 0.543 490 S N 0.574 116.364 115.700 0.150 0.000 2.382 490 S HA -0.196 4.274 4.470 -0.000 0.000 0.228 490 S C 2.022 176.765 174.600 0.237 0.000 1.027 490 S CA 1.467 59.811 58.200 0.241 0.000 0.991 490 S CB -0.073 63.219 63.200 0.155 0.000 0.823 490 S HN 0.771 nan 8.310 nan 0.000 0.469 491 S N 1.713 117.500 115.700 0.146 0.000 2.442 491 S HA -0.030 4.440 4.470 -0.000 0.000 0.236 491 S C 1.691 176.366 174.600 0.125 0.000 1.007 491 S CA 0.657 58.919 58.200 0.103 0.000 0.965 491 S CB -0.226 63.009 63.200 0.058 0.000 0.773 491 S HN 0.440 nan 8.310 nan 0.000 0.504 492 R N -0.965 119.658 120.500 0.205 0.000 2.175 492 R HA 0.164 4.504 4.340 -0.000 0.000 0.202 492 R C 2.082 178.549 176.300 0.278 0.000 1.018 492 R CA 0.561 56.786 56.100 0.207 0.000 1.029 492 R CB -0.316 30.137 30.300 0.256 0.000 0.959 492 R HN 0.676 nan 8.270 nan 0.000 0.480 493 W N 2.847 124.298 121.300 0.252 0.000 2.409 493 W HA -0.121 4.539 4.660 0.000 0.000 0.299 493 W C 1.064 177.755 176.519 0.287 0.000 1.203 493 W CA 1.143 58.661 57.345 0.288 0.000 1.298 493 W CB 0.049 29.729 29.460 0.367 0.000 1.127 493 W HN -0.067 nan 8.180 nan 0.000 0.528 494 K N 0.172 120.608 120.400 0.060 0.000 2.020 494 K HA -0.182 4.138 4.320 -0.000 0.000 0.212 494 K C -1.089 175.430 176.600 -0.134 0.000 1.050 494 K CA 1.996 58.233 56.287 -0.083 0.000 0.929 494 K CB -1.474 31.050 32.500 0.041 0.000 0.714 494 K HN 0.139 nan 8.250 nan 0.000 0.443 495 P HA -0.023 nan 4.420 nan 0.000 0.257 495 P C 0.288 177.491 177.300 -0.162 0.000 1.737 495 P CA -0.217 62.798 63.100 -0.142 0.000 1.130 495 P CB -0.569 31.068 31.700 -0.104 0.000 1.572 496 W N 0.418 121.543 121.300 -0.292 0.000 2.363 496 W HA -0.110 4.551 4.660 0.000 0.000 0.296 496 W C 0.554 176.937 176.519 -0.228 0.000 1.212 496 W CA 0.285 57.450 57.345 -0.301 0.000 1.260 496 W CB -1.386 27.850 29.460 -0.374 0.000 1.131 496 W HN -0.144 nan 8.180 nan 0.000 0.530 497 L N 1.986 122.609 121.223 -1.000 0.000 2.450 497 L HA -0.163 4.177 4.340 -0.000 0.000 0.224 497 L C 2.276 178.850 176.870 -0.493 0.000 1.149 497 L CA 1.214 55.510 54.840 -0.908 0.000 0.816 497 L CB -0.509 41.163 42.059 -0.644 0.000 0.932 497 L HN 0.030 nan 8.230 nan 0.000 0.449 498 V N -5.009 114.602 119.914 -0.506 0.000 3.578 498 V HA 0.170 4.290 4.120 -0.000 0.000 0.290 498 V C 0.966 176.996 176.094 -0.106 0.000 1.376 498 V CA -0.417 61.606 62.300 -0.462 0.000 1.083 498 V CB -0.200 31.159 31.823 -0.773 0.000 0.911 498 V HN 0.133 nan 8.190 nan 0.000 0.433 499 Q N 1.854 121.613 119.800 -0.068 0.000 2.421 499 Q HA 0.188 4.528 4.340 -0.000 0.000 0.255 499 Q C -0.193 175.774 176.000 -0.055 0.000 1.013 499 Q CA 0.256 56.067 55.803 0.013 0.000 0.895 499 Q CB 0.669 29.401 28.738 -0.009 0.000 1.271 499 Q HN 0.521 nan 8.270 nan 0.000 0.460 500 D N 1.510 121.740 120.400 -0.283 0.000 2.458 500 D HA -0.067 4.573 4.640 -0.000 0.000 0.243 500 D C 0.117 176.259 176.300 -0.264 0.000 1.146 500 D CA 0.246 53.847 54.000 -0.664 0.000 0.877 500 D CB 0.726 41.018 40.800 -0.847 0.000 1.176 500 D HN 0.177 nan 8.370 nan 0.000 0.461 501 Q N 3.305 122.992 119.800 -0.188 0.000 2.222 501 Q HA 0.107 4.447 4.340 -0.000 0.000 0.206 501 Q C 1.331 177.295 176.000 -0.060 0.000 0.877 501 Q CA -0.054 55.722 55.803 -0.044 0.000 0.958 501 Q CB 0.253 29.015 28.738 0.040 0.000 1.075 501 Q HN 0.489 nan 8.270 nan 0.000 0.483 502 R N 0.398 120.825 120.500 -0.123 0.000 2.148 502 R HA -0.083 4.257 4.340 -0.000 0.000 0.227 502 R C 1.853 178.115 176.300 -0.063 0.000 1.103 502 R CA 0.786 56.829 56.100 -0.095 0.000 0.983 502 R CB 0.279 30.507 30.300 -0.121 0.000 0.874 502 R HN 0.347 nan 8.270 nan 0.000 0.451 503 E N 0.388 120.553 120.200 -0.057 0.000 2.072 503 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 503 E C 1.804 178.396 176.600 -0.013 0.000 0.985 503 E CA 1.118 57.497 56.400 -0.036 0.000 0.801 503 E CB 0.033 29.712 29.700 -0.036 0.000 0.750 503 E HN 0.329 nan 8.360 nan 0.000 0.452 504 A N 1.313 124.139 122.820 0.009 0.000 1.933 504 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 504 A C 2.029 179.608 177.584 -0.008 0.000 1.175 504 A CA 1.592 53.645 52.037 0.026 0.000 0.628 504 A CB -0.544 18.497 19.000 0.068 0.000 0.814 504 A HN 0.406 nan 8.150 nan 0.000 0.444 505 E N 0.553 120.740 120.200 -0.022 0.000 2.118 505 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 505 E C 1.993 178.560 176.600 -0.054 0.000 0.992 505 E CA 1.543 57.917 56.400 -0.043 0.000 0.804 505 E CB -0.122 29.551 29.700 -0.045 0.000 0.741 505 E HN 0.724 nan 8.360 nan 0.000 0.458 506 S N -0.108 115.565 115.700 -0.044 0.000 2.555 506 S HA -0.004 4.466 4.470 -0.000 0.000 0.230 506 S C 0.781 175.359 174.600 -0.036 0.000 0.978 506 S CA -0.114 58.059 58.200 -0.044 0.000 0.934 506 S CB -0.129 63.048 63.200 -0.039 0.000 0.766 506 S HN 0.100 nan 8.310 nan 0.000 0.533 507 R N 1.925 122.409 120.500 -0.027 0.000 2.410 507 R HA 0.325 4.665 4.340 -0.000 0.000 0.288 507 R C -1.761 174.531 176.300 -0.014 0.000 1.051 507 R CA -1.985 54.108 56.100 -0.012 0.000 1.021 507 R CB 0.461 30.766 30.300 0.008 0.000 1.032 507 R HN 0.156 nan 8.270 nan 0.000 0.481 508 P HA -0.088 nan 4.420 nan 0.000 0.233 508 P C -0.175 177.173 177.300 0.081 0.000 1.167 508 P CA 0.941 64.059 63.100 0.029 0.000 0.770 508 P CB 0.236 31.954 31.700 0.030 0.000 0.837 509 D N -0.435 120.013 120.400 0.080 0.000 2.395 509 D HA 0.103 4.743 4.640 -0.000 0.000 0.226 509 D C -0.134 176.137 176.300 -0.049 0.000 1.146 509 D CA -0.661 53.435 54.000 0.161 0.000 0.830 509 D CB -0.272 40.639 40.800 0.186 0.000 0.958 509 D HN -0.043 nan 8.370 nan 0.000 0.501 510 V N 0.643 120.452 119.914 -0.176 0.000 2.567 510 V HA 0.228 4.348 4.120 -0.000 0.000 0.298 510 V C -0.427 175.503 176.094 -0.273 0.000 1.047 510 V CA -1.142 60.972 62.300 -0.310 0.000 0.880 510 V CB 2.181 33.927 31.823 -0.129 0.000 1.009 510 V HN 0.013 nan 8.190 nan 0.000 0.429 511 V N 5.102 124.794 119.914 -0.371 0.000 2.465 511 V HA 0.637 4.757 4.120 -0.000 0.000 0.279 511 V C 0.214 176.273 176.094 -0.058 0.000 1.045 511 V CA 0.463 62.687 62.300 -0.127 0.000 0.938 511 V CB 1.967 33.808 31.823 0.030 0.000 0.986 511 V HN 1.024 nan 8.190 nan 0.000 0.467 512 T N 6.836 121.327 114.554 -0.105 0.000 2.841 512 T HA 0.647 4.997 4.350 -0.000 0.000 0.283 512 T C -1.424 173.170 174.700 -0.177 0.000 1.000 512 T CA -0.107 61.956 62.100 -0.062 0.000 0.977 512 T CB 1.148 69.978 68.868 -0.063 0.000 0.979 512 T HN 0.531 nan 8.240 nan 0.000 0.446 513 Y N 1.458 121.785 120.300 0.046 0.000 2.462 513 Y HA 0.573 5.123 4.550 -0.000 0.000 0.346 513 Y C 0.300 176.189 175.900 -0.018 0.000 0.976 513 Y CA -1.085 57.024 58.100 0.015 0.000 1.044 513 Y CB 1.910 40.346 38.460 -0.041 0.000 1.230 513 Y HN 0.720 nan 8.280 nan 0.000 0.455 514 E N -0.664 119.601 120.200 0.109 0.000 2.372 514 E HA 0.527 4.877 4.350 -0.000 0.000 0.279 514 E C -1.133 175.465 176.600 -0.002 0.000 0.946 514 E CA -1.223 55.198 56.400 0.034 0.000 0.769 514 E CB 1.839 31.553 29.700 0.023 0.000 1.230 514 E HN 0.517 nan 8.360 nan 0.000 0.442 515 T N -0.419 114.108 114.554 -0.045 0.000 2.770 515 T HA 0.262 4.612 4.350 -0.000 0.000 0.281 515 T C 0.370 175.059 174.700 -0.018 0.000 0.981 515 T CA -0.778 61.285 62.100 -0.062 0.000 0.955 515 T CB 0.747 69.544 68.868 -0.118 0.000 1.060 515 T HN 0.466 nan 8.240 nan 0.000 0.531 516 E N -0.026 120.169 120.200 -0.007 0.000 2.351 516 E HA 0.282 4.632 4.350 -0.000 0.000 0.255 516 E C -0.163 176.454 176.600 0.029 0.000 1.188 516 E CA -0.580 55.827 56.400 0.013 0.000 0.940 516 E CB 0.791 30.502 29.700 0.018 0.000 1.094 516 E HN 0.463 nan 8.360 nan 0.000 0.474 517 V N 2.390 122.326 119.914 0.037 0.000 2.450 517 V HA -0.054 4.066 4.120 -0.000 0.000 0.281 517 V C 0.614 176.749 176.094 0.069 0.000 1.019 517 V CA 0.196 62.529 62.300 0.055 0.000 1.062 517 V CB -0.520 31.330 31.823 0.045 0.000 0.979 517 V HN 0.369 nan 8.190 nan 0.000 0.477 518 L N 5.384 126.665 121.223 0.096 0.000 2.540 518 L HA 0.051 4.391 4.340 -0.000 0.000 0.276 518 L C 1.152 178.078 176.870 0.093 0.000 1.212 518 L CA 0.187 55.090 54.840 0.105 0.000 0.893 518 L CB 0.062 42.206 42.059 0.141 0.000 1.138 518 L HN 0.619 nan 8.230 nan 0.000 0.491 519 D N 0.762 121.209 120.400 0.079 0.000 2.301 519 D HA 0.049 4.689 4.640 -0.000 0.000 0.206 519 D C 0.384 176.721 176.300 0.061 0.000 0.979 519 D CA 0.919 54.956 54.000 0.063 0.000 0.874 519 D CB 0.582 41.413 40.800 0.052 0.000 0.968 519 D HN 0.466 nan 8.370 nan 0.000 0.510 520 E N 0.903 121.144 120.200 0.069 0.000 2.293 520 E HA 0.321 4.671 4.350 -0.000 0.000 0.270 520 E C -2.455 174.190 176.600 0.075 0.000 0.879 520 E CA -1.927 54.508 56.400 0.058 0.000 0.756 520 E CB 2.555 32.281 29.700 0.043 0.000 1.208 520 E HN -0.035 nan 8.360 nan 0.000 0.428 521 P HA 0.137 nan 4.420 nan 0.000 0.271 521 P C -0.387 176.968 177.300 0.091 0.000 1.216 521 P CA -0.306 62.836 63.100 0.070 0.000 0.776 521 P CB 0.743 32.456 31.700 0.021 0.000 0.881 522 V N 4.727 124.740 119.914 0.165 0.000 2.378 522 V HA 0.328 4.448 4.120 -0.000 0.000 0.288 522 V C 0.693 176.931 176.094 0.240 0.000 1.016 522 V CA -0.641 61.779 62.300 0.201 0.000 0.840 522 V CB 1.118 33.105 31.823 0.273 0.000 0.994 522 V HN 0.464 nan 8.190 nan 0.000 0.431 523 R N 3.519 124.099 120.500 0.132 0.000 2.312 523 R HA 0.720 5.060 4.340 -0.000 0.000 0.311 523 R C -0.820 175.555 176.300 0.124 0.000 1.004 523 R CA -0.569 55.588 56.100 0.094 0.000 0.902 523 R CB 1.898 32.221 30.300 0.038 0.000 1.073 523 R HN 0.615 nan 8.270 nan 0.000 0.457 524 V N -1.028 118.966 119.914 0.134 0.000 2.588 524 V HA 0.641 4.761 4.120 -0.000 0.000 0.304 524 V C -0.399 175.746 176.094 0.085 0.000 1.042 524 V CA -0.656 61.724 62.300 0.133 0.000 0.877 524 V CB 1.940 33.904 31.823 0.235 0.000 0.996 524 V HN 0.695 nan 8.190 nan 0.000 0.425 525 S N 2.796 118.526 115.700 0.050 0.000 2.673 525 S HA 0.876 5.346 4.470 -0.000 0.000 0.256 525 S C -0.034 174.562 174.600 -0.007 0.000 1.141 525 S CA 0.586 58.837 58.200 0.086 0.000 1.109 525 S CB 0.437 63.661 63.200 0.040 0.000 1.101 525 S HN 2.267 nan 8.310 nan 0.000 0.471 526 G N 1.908 110.749 108.800 0.068 0.000 2.332 526 G HA2 0.188 4.148 3.960 -0.000 0.000 0.265 526 G HA3 0.188 4.148 3.960 -0.000 0.000 0.265 526 G C -1.777 173.071 174.900 -0.086 0.000 1.329 526 G CA -0.217 44.754 45.100 -0.216 0.000 0.949 526 G HN 0.882 nan 8.290 nan 0.000 0.476 527 V N 2.613 122.420 119.914 -0.178 0.000 2.333 527 V HA 0.502 4.622 4.120 -0.000 0.000 0.274 527 V C -2.040 174.006 176.094 -0.079 0.000 1.028 527 V CA -1.103 61.138 62.300 -0.099 0.000 0.851 527 V CB 1.295 33.040 31.823 -0.129 0.000 1.000 527 V HN 0.524 nan 8.190 nan 0.000 0.456 528 P HA 0.297 nan 4.420 nan 0.000 0.280 528 P C -0.770 176.471 177.300 -0.097 0.000 1.244 528 P CA -0.179 62.889 63.100 -0.054 0.000 0.784 528 P CB 1.043 32.734 31.700 -0.014 0.000 0.913 529 V N 2.843 122.661 119.914 -0.160 0.000 2.417 529 V HA 0.547 4.667 4.120 -0.000 0.000 0.291 529 V C 0.398 176.250 176.094 -0.404 0.000 1.024 529 V CA -0.962 61.163 62.300 -0.292 0.000 0.861 529 V CB 1.310 32.944 31.823 -0.315 0.000 0.985 529 V HN 0.632 nan 8.190 nan 0.000 0.436 530 A N 3.064 125.510 122.820 -0.624 0.000 2.350 530 A HA 0.429 4.749 4.320 -0.000 0.000 0.293 530 A C -0.031 177.159 177.584 -0.657 0.000 1.231 530 A CA -0.118 51.500 52.037 -0.698 0.000 0.883 530 A CB -0.160 18.159 19.000 -1.135 0.000 1.133 530 A HN 0.860 nan 8.150 nan 0.000 0.533 531 D N 2.771 122.971 120.400 -0.335 0.000 2.499 531 D HA 0.401 5.041 4.640 -0.000 0.000 0.225 531 D C -0.827 175.426 176.300 -0.078 0.000 1.124 531 D CA -0.031 53.903 54.000 -0.109 0.000 0.938 531 D CB 0.218 41.066 40.800 0.080 0.000 1.014 531 D HN 0.384 nan 8.370 nan 0.000 0.517 532 L N 3.416 124.545 121.223 -0.157 0.000 2.282 532 L HA 0.542 4.881 4.340 -0.000 0.000 0.288 532 L C -1.348 175.447 176.870 -0.126 0.000 1.033 532 L CA -0.381 54.399 54.840 -0.100 0.000 0.807 532 L CB 0.607 42.577 42.059 -0.149 0.000 1.209 532 L HN 0.148 nan 8.230 nan 0.000 0.423 533 F N 5.436 125.411 119.950 0.042 0.000 2.363 533 F HA 0.681 5.208 4.527 -0.000 0.000 0.366 533 F C 0.398 176.184 175.800 -0.023 0.000 1.083 533 F CA -0.234 57.784 58.000 0.030 0.000 1.176 533 F CB 1.070 40.066 39.000 -0.008 0.000 1.432 533 F HN 0.617 nan 8.300 nan 0.000 0.482 534 A N 1.886 124.722 122.820 0.026 0.000 2.354 534 A HA 0.974 5.294 4.320 -0.000 0.000 0.321 534 A C -1.053 176.545 177.584 0.023 0.000 1.125 534 A CA -0.611 51.314 52.037 -0.186 0.000 0.799 534 A CB 1.295 19.655 19.000 -1.067 0.000 1.293 534 A HN 0.678 nan 8.150 nan 0.000 0.452 535 A N 0.046 122.921 122.820 0.093 0.000 2.435 535 A HA 0.861 5.181 4.320 -0.000 0.000 0.304 535 A C -0.362 177.408 177.584 0.310 0.000 1.064 535 A CA -0.205 51.955 52.037 0.204 0.000 0.727 535 A CB 1.667 20.748 19.000 0.136 0.000 1.284 535 A HN 1.431 nan 8.150 nan 0.000 0.415 536 T N -0.581 114.149 114.554 0.294 0.000 2.909 536 T HA 0.473 4.823 4.350 -0.000 0.000 0.299 536 T C 1.076 175.853 174.700 0.128 0.000 1.073 536 T CA 0.305 62.544 62.100 0.231 0.000 0.999 536 T CB 1.379 70.403 68.868 0.260 0.000 1.098 536 T HN 1.428 nan 8.240 nan 0.000 0.477 537 S N 2.072 117.818 115.700 0.076 0.000 2.527 537 S HA 0.284 4.754 4.470 -0.000 0.000 0.222 537 S C 1.130 175.760 174.600 0.050 0.000 0.985 537 S CA 0.285 58.519 58.200 0.055 0.000 0.921 537 S CB -0.259 62.964 63.200 0.038 0.000 0.772 537 S HN 0.905 nan 8.310 nan 0.000 0.529 538 G N 0.885 109.716 108.800 0.051 0.000 2.531 538 G HA2 0.437 4.397 3.960 -0.000 0.000 0.281 538 G HA3 0.437 4.397 3.960 -0.000 0.000 0.281 538 G C 0.530 175.469 174.900 0.064 0.000 1.382 538 G CA 0.102 45.229 45.100 0.045 0.000 1.045 538 G HN 0.368 nan 8.290 nan 0.000 0.533 539 T N -2.923 111.672 114.554 0.068 0.000 3.092 539 T HA 0.297 4.647 4.350 -0.000 0.000 0.258 539 T C -0.104 174.666 174.700 0.117 0.000 1.031 539 T CA 0.039 62.189 62.100 0.084 0.000 0.925 539 T CB 0.329 69.251 68.868 0.089 0.000 1.036 539 T HN 0.388 nan 8.240 nan 0.000 0.544 540 D N -0.449 120.011 120.400 0.100 0.000 2.623 540 D HA 0.648 5.288 4.640 -0.000 0.000 0.241 540 D C -1.579 174.720 176.300 -0.002 0.000 1.241 540 D CA -0.222 53.835 54.000 0.095 0.000 0.788 540 D CB 2.320 43.185 40.800 0.107 0.000 1.413 540 D HN 0.030 nan 8.370 nan 0.000 0.429 541 S N 0.343 115.999 115.700 -0.073 0.000 2.597 541 S HA 0.377 4.847 4.470 -0.000 0.000 0.274 541 S C -2.100 172.198 174.600 -0.503 0.000 1.132 541 S CA -0.708 57.280 58.200 -0.352 0.000 0.835 541 S CB 1.435 64.285 63.200 -0.583 0.000 1.092 541 S HN 0.393 nan 8.310 nan 0.000 0.457 542 D N 0.622 120.642 120.400 -0.633 0.000 2.248 542 D HA 0.598 5.238 4.640 -0.000 0.000 0.246 542 D C -1.420 174.461 176.300 -0.699 0.000 1.027 542 D CA 0.012 53.736 54.000 -0.460 0.000 0.853 542 D CB 0.930 41.604 40.800 -0.210 0.000 1.243 542 D HN 0.414 nan 8.370 nan 0.000 0.462 543 W N 1.680 122.939 121.300 -0.067 0.000 2.499 543 W HA 0.471 5.131 4.660 0.000 0.000 0.320 543 W C -0.932 175.543 176.519 -0.073 0.000 1.010 543 W CA -0.923 56.377 57.345 -0.074 0.000 1.267 543 W CB 1.277 30.633 29.460 -0.172 0.000 1.316 543 W HN -0.051 nan 8.180 nan 0.000 0.431 544 V N 4.627 124.582 119.914 0.069 0.000 2.370 544 V HA 0.453 4.573 4.120 -0.000 0.000 0.279 544 V C -0.219 175.852 176.094 -0.038 0.000 1.029 544 V CA -0.933 61.258 62.300 -0.183 0.000 0.870 544 V CB 1.141 32.562 31.823 -0.670 0.000 0.984 544 V HN 0.285 nan 8.190 nan 0.000 0.451 545 V N 5.971 125.929 119.914 0.073 0.000 2.409 545 V HA 0.494 4.614 4.120 -0.000 0.000 0.291 545 V C -0.184 175.966 176.094 0.094 0.000 1.020 545 V CA -0.878 61.483 62.300 0.102 0.000 0.848 545 V CB 1.759 33.667 31.823 0.142 0.000 0.990 545 V HN 0.889 nan 8.190 nan 0.000 0.430 546 K N 4.912 125.359 120.400 0.078 0.000 2.323 546 K HA 0.646 4.966 4.320 -0.000 0.000 0.259 546 K C -1.187 175.481 176.600 0.114 0.000 0.947 546 K CA -0.848 55.517 56.287 0.128 0.000 0.819 546 K CB 2.594 35.185 32.500 0.151 0.000 1.109 546 K HN 0.444 nan 8.250 nan 0.000 0.429 547 L N 4.744 126.045 121.223 0.130 0.000 2.257 547 L HA 0.453 4.793 4.340 -0.000 0.000 0.290 547 L C -1.186 175.788 176.870 0.173 0.000 1.044 547 L CA -0.202 54.714 54.840 0.127 0.000 0.810 547 L CB 0.347 42.482 42.059 0.127 0.000 1.193 547 L HN 0.588 nan 8.230 nan 0.000 0.425 548 I N 3.848 124.526 120.570 0.179 0.000 2.603 548 I HA 0.359 4.529 4.170 -0.000 0.000 0.300 548 I C -0.817 175.498 176.117 0.330 0.000 1.017 548 I CA -0.608 60.819 61.300 0.212 0.000 1.098 548 I CB 2.008 40.101 38.000 0.154 0.000 1.279 548 I HN 0.502 nan 8.210 nan 0.000 0.437 549 D N 5.132 125.740 120.400 0.345 0.000 2.460 549 D HA 0.277 4.917 4.640 -0.000 0.000 0.232 549 D C -0.909 175.613 176.300 0.370 0.000 1.079 549 D CA -0.324 53.973 54.000 0.495 0.000 0.864 549 D CB 1.179 42.143 40.800 0.274 0.000 1.048 549 D HN 0.084 nan 8.370 nan 0.000 0.523 550 V N 5.089 125.194 119.914 0.319 0.000 2.427 550 V HA 0.108 4.228 4.120 -0.000 0.000 0.268 550 V C 0.834 177.013 176.094 0.142 0.000 1.046 550 V CA -0.608 61.810 62.300 0.197 0.000 0.970 550 V CB 0.752 32.648 31.823 0.122 0.000 1.001 550 V HN 0.493 nan 8.190 nan 0.000 0.476 551 Q N 5.500 125.342 119.800 0.070 0.000 2.474 551 Q HA 0.219 4.559 4.340 -0.000 0.000 0.256 551 Q C -2.204 173.640 176.000 -0.260 0.000 1.048 551 Q CA -1.833 53.854 55.803 -0.192 0.000 0.922 551 Q CB -0.106 28.615 28.738 -0.028 0.000 1.288 551 Q HN 0.443 nan 8.270 nan 0.000 0.484 552 P HA -0.077 nan 4.420 nan 0.000 0.265 552 P C 0.073 177.323 177.300 -0.084 0.000 1.187 552 P CA 0.534 63.516 63.100 -0.198 0.000 0.766 552 P CB 0.421 32.027 31.700 -0.156 0.000 0.820 553 A N 3.719 126.514 122.820 -0.042 0.000 1.940 553 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 553 A C 0.955 178.529 177.584 -0.015 0.000 1.190 553 A CA 1.884 53.910 52.037 -0.019 0.000 0.647 553 A CB -0.639 18.356 19.000 -0.009 0.000 0.821 553 A HN 0.507 nan 8.150 nan 0.000 0.457 554 M N -0.686 118.903 119.600 -0.019 0.000 2.386 554 M HA 0.332 4.812 4.480 -0.000 0.000 0.293 554 M C -1.096 175.193 176.300 -0.019 0.000 1.120 554 M CA -0.087 55.205 55.300 -0.014 0.000 0.909 554 M CB 1.926 34.521 32.600 -0.008 0.000 1.661 554 M HN 0.252 nan 8.290 nan 0.000 0.452 555 T N -0.876 113.668 114.554 -0.017 0.000 3.141 555 T HA 0.403 4.753 4.350 -0.000 0.000 0.377 555 T C -2.046 172.646 174.700 -0.014 0.000 1.258 555 T CA -1.304 60.785 62.100 -0.018 0.000 1.263 555 T CB 0.731 69.582 68.868 -0.027 0.000 1.066 555 T HN 0.382 nan 8.240 nan 0.000 0.546 556 P HA -0.074 nan 4.420 nan 0.000 0.219 556 P C 0.519 177.813 177.300 -0.010 0.000 1.146 556 P CA 1.002 64.097 63.100 -0.008 0.000 0.808 556 P CB 0.266 31.964 31.700 -0.004 0.000 0.779 557 D N -0.792 119.601 120.400 -0.011 0.000 2.317 557 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 557 D C 0.335 176.622 176.300 -0.023 0.000 0.966 557 D CA 1.171 55.162 54.000 -0.014 0.000 0.876 557 D CB -0.172 40.622 40.800 -0.011 0.000 0.927 557 D HN 0.171 nan 8.370 nan 0.000 0.519 558 D N -1.477 118.906 120.400 -0.028 0.000 2.668 558 D HA 0.136 4.776 4.640 -0.000 0.000 0.247 558 D C -2.072 174.208 176.300 -0.033 0.000 1.268 558 D CA -1.629 52.347 54.000 -0.039 0.000 0.842 558 D CB 1.209 41.973 40.800 -0.060 0.000 1.399 558 D HN -0.234 nan 8.370 nan 0.000 0.530 559 P HA -0.228 nan 4.420 nan 0.000 0.218 559 P C 1.293 178.590 177.300 -0.005 0.000 1.154 559 P CA 1.595 64.687 63.100 -0.012 0.000 0.872 559 P CB 0.114 31.808 31.700 -0.010 0.000 0.790 560 K N -1.300 119.095 120.400 -0.008 0.000 2.360 560 K HA -0.065 4.255 4.320 -0.000 0.000 0.201 560 K C 1.340 177.967 176.600 0.046 0.000 1.046 560 K CA 1.226 57.522 56.287 0.015 0.000 0.945 560 K CB -0.549 31.954 32.500 0.005 0.000 0.750 560 K HN 0.082 nan 8.250 nan 0.000 0.464 561 M N 1.579 121.177 119.600 -0.003 0.000 2.561 561 M HA 0.122 4.602 4.480 -0.000 0.000 0.238 561 M C 0.615 176.948 176.300 0.055 0.000 1.131 561 M CA 0.061 55.355 55.300 -0.011 0.000 1.046 561 M CB -0.209 32.318 32.600 -0.122 0.000 1.532 561 M HN 0.197 nan 8.290 nan 0.000 0.497 562 G N 0.292 109.117 108.800 0.041 0.000 2.307 562 G HA2 0.343 4.303 3.960 -0.000 0.000 0.271 562 G HA3 0.343 4.303 3.960 -0.000 0.000 0.271 562 G C 1.095 176.023 174.900 0.046 0.000 1.191 562 G CA 0.347 45.463 45.100 0.026 0.000 1.024 562 G HN 0.695 nan 8.290 nan 0.000 0.441 563 G N 1.599 110.419 108.800 0.033 0.000 2.155 563 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 563 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 563 G C 0.417 175.360 174.900 0.070 0.000 0.983 563 G CA 0.597 45.717 45.100 0.033 0.000 0.676 563 G HN 1.092 nan 8.290 nan 0.000 0.528 564 Y N 1.478 121.764 120.300 -0.023 0.000 2.632 564 Y HA 0.362 4.912 4.550 0.000 0.000 0.329 564 Y C 0.845 176.752 175.900 0.013 0.000 1.174 564 Y CA 0.400 58.493 58.100 -0.012 0.000 1.469 564 Y CB 0.513 38.960 38.460 -0.021 0.000 1.242 564 Y HN 0.322 nan 8.280 nan 0.000 0.540 565 E N 6.643 126.760 120.200 -0.139 0.000 1.932 565 E HA 0.145 4.495 4.350 -0.000 0.000 0.259 565 E C -1.230 175.402 176.600 0.054 0.000 1.099 565 E CA -0.524 55.870 56.400 -0.010 0.000 0.970 565 E CB 0.191 29.859 29.700 -0.054 0.000 1.143 565 E HN 0.436 nan 8.360 nan 0.000 0.441 566 L N 4.923 126.325 121.223 0.299 0.000 2.315 566 L HA 0.304 4.644 4.340 -0.000 0.000 0.283 566 L C -2.510 174.485 176.870 0.208 0.000 1.089 566 L CA -1.932 53.099 54.840 0.318 0.000 0.833 566 L CB 0.387 42.636 42.059 0.316 0.000 1.170 566 L HN 0.135 nan 8.230 nan 0.000 0.442 567 P HA 0.118 nan 4.420 nan 0.000 0.287 567 P C 0.558 178.022 177.300 0.274 0.000 1.294 567 P CA -0.357 62.861 63.100 0.197 0.000 0.776 567 P CB 1.257 33.066 31.700 0.181 0.000 0.889 568 V N 0.813 120.829 119.914 0.171 0.000 3.174 568 V HA 0.186 4.306 4.120 -0.000 0.000 0.254 568 V C 0.690 176.796 176.094 0.020 0.000 1.120 568 V CA 0.703 63.044 62.300 0.067 0.000 1.114 568 V CB -0.450 31.241 31.823 -0.219 0.000 0.756 568 V HN 0.623 nan 8.190 nan 0.000 0.467 569 S N 1.060 116.822 115.700 0.103 0.000 2.582 569 S HA 0.725 5.195 4.470 -0.000 0.000 0.287 569 S C -1.054 173.659 174.600 0.188 0.000 1.146 569 S CA -0.674 57.590 58.200 0.107 0.000 0.941 569 S CB 1.260 64.498 63.200 0.064 0.000 1.115 569 S HN 0.635 nan 8.310 nan 0.000 0.458 570 M N 2.681 122.439 119.600 0.264 0.000 2.465 570 M HA 0.749 5.229 4.480 -0.000 0.000 0.284 570 M C -1.880 174.749 176.300 0.549 0.000 1.212 570 M CA -0.683 54.848 55.300 0.385 0.000 0.910 570 M CB 2.153 35.036 32.600 0.471 0.000 1.725 570 M HN 0.505 nan 8.290 nan 0.000 0.477 571 D N 0.936 121.665 120.400 0.548 0.000 2.643 571 D HA 0.685 5.325 4.640 -0.000 0.000 0.283 571 D C -1.960 174.604 176.300 0.441 0.000 1.242 571 D CA -0.378 54.016 54.000 0.656 0.000 0.863 571 D CB 3.218 44.423 40.800 0.674 0.000 1.382 571 D HN 0.846 nan 8.370 nan 0.000 0.444 572 I N 0.884 121.679 120.570 0.376 0.000 2.646 572 I HA 0.623 4.793 4.170 -0.000 0.000 0.299 572 I C -1.543 174.604 176.117 0.049 0.000 1.036 572 I CA -0.903 60.438 61.300 0.068 0.000 1.074 572 I CB 1.660 39.548 38.000 -0.185 0.000 1.258 572 I HN 0.271 nan 8.210 nan 0.000 0.430 573 F N 6.447 126.225 119.950 -0.286 0.000 2.536 573 F HA 0.506 5.033 4.527 0.000 0.000 0.322 573 F C -0.445 175.292 175.800 -0.104 0.000 1.144 573 F CA -0.735 57.036 58.000 -0.382 0.000 0.924 573 F CB 1.217 39.541 39.000 -1.128 0.000 1.181 573 F HN 0.381 nan 8.300 nan 0.000 0.438 574 R N 3.801 124.119 120.500 -0.303 0.000 2.248 574 R HA 0.296 4.636 4.340 -0.000 0.000 0.337 574 R C 1.375 177.698 176.300 0.038 0.000 1.085 574 R CA 0.617 56.675 56.100 -0.070 0.000 0.934 574 R CB 0.682 31.026 30.300 0.073 0.000 1.034 574 R HN 0.983 nan 8.270 nan 0.000 0.465 575 G N 4.832 113.782 108.800 0.250 0.000 2.507 575 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.221 575 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.221 575 G C 1.266 176.381 174.900 0.359 0.000 1.119 575 G CA 1.025 46.452 45.100 0.546 0.000 0.751 575 G HN 0.775 nan 8.290 nan 0.000 0.574 576 R N -0.753 119.790 120.500 0.072 0.000 2.193 576 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 576 R C 1.029 177.239 176.300 -0.149 0.000 1.110 576 R CA 1.150 57.205 56.100 -0.074 0.000 0.988 576 R CB -0.499 29.709 30.300 -0.154 0.000 0.871 576 R HN 0.435 nan 8.270 nan 0.000 0.458 577 Y N 0.768 121.174 120.300 0.177 0.000 2.532 577 Y HA 0.313 4.863 4.550 -0.000 0.000 0.283 577 Y C 2.088 178.030 175.900 0.070 0.000 1.181 577 Y CA -0.873 57.296 58.100 0.115 0.000 1.256 577 Y CB -0.124 38.467 38.460 0.219 0.000 1.112 577 Y HN 0.005 nan 8.280 nan 0.000 0.521 578 R N 0.927 121.629 120.500 0.337 0.000 2.096 578 R HA -0.214 4.126 4.340 -0.000 0.000 0.240 578 R C 1.648 177.947 176.300 -0.000 0.000 1.139 578 R CA 2.015 58.271 56.100 0.259 0.000 0.952 578 R CB 0.146 30.494 30.300 0.079 0.000 0.854 578 R HN 0.268 nan 8.270 nan 0.000 0.436 579 K N -0.977 119.409 120.400 -0.025 0.000 2.067 579 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 579 K C 0.083 176.642 176.600 -0.068 0.000 1.048 579 K CA 0.907 57.158 56.287 -0.059 0.000 0.954 579 K CB 0.220 32.695 32.500 -0.043 0.000 0.737 579 K HN 0.066 nan 8.250 nan 0.000 0.444 580 D N -1.873 118.509 120.400 -0.029 0.000 2.934 580 D HA 0.136 4.776 4.640 -0.000 0.000 0.230 580 D C -0.260 176.103 176.300 0.104 0.000 1.204 580 D CA -0.533 53.470 54.000 0.005 0.000 0.873 580 D CB 1.104 41.948 40.800 0.073 0.000 1.645 580 D HN -0.199 nan 8.370 nan 0.000 0.502 581 F N 1.535 121.623 119.950 0.229 0.000 2.367 581 F HA 0.146 4.673 4.527 -0.000 0.000 0.298 581 F C 2.266 178.084 175.800 0.030 0.000 1.094 581 F CA 0.806 58.887 58.000 0.136 0.000 1.409 581 F CB -0.190 38.795 39.000 -0.026 0.000 1.064 581 F HN 0.487 nan 8.300 nan 0.000 0.528 582 A N -0.951 122.017 122.820 0.246 0.000 2.030 582 A HA 0.047 4.367 4.320 -0.000 0.000 0.215 582 A C 1.056 178.751 177.584 0.185 0.000 1.164 582 A CA 0.547 52.665 52.037 0.135 0.000 0.697 582 A CB -0.063 18.984 19.000 0.078 0.000 0.827 582 A HN 0.015 nan 8.150 nan 0.000 0.457 583 K N 1.593 122.118 120.400 0.210 0.000 2.530 583 K HA 0.301 4.621 4.320 -0.000 0.000 0.230 583 K C -3.048 173.676 176.600 0.206 0.000 1.002 583 K CA -1.897 54.499 56.287 0.181 0.000 1.014 583 K CB 1.522 34.087 32.500 0.108 0.000 1.286 583 K HN 0.208 nan 8.250 nan 0.000 0.480 584 P HA 0.089 nan 4.420 nan 0.000 0.268 584 P C -0.597 176.759 177.300 0.094 0.000 1.205 584 P CA 0.172 63.366 63.100 0.158 0.000 0.771 584 P CB 1.078 32.867 31.700 0.149 0.000 0.858 585 E N 0.582 120.724 120.200 -0.097 0.000 2.340 585 E HA 0.565 4.915 4.350 -0.000 0.000 0.273 585 E C -0.811 175.367 176.600 -0.704 0.000 0.891 585 E CA -1.159 55.004 56.400 -0.396 0.000 0.757 585 E CB 2.332 31.912 29.700 -0.200 0.000 1.231 585 E HN 0.477 nan 8.360 nan 0.000 0.439 586 A N 3.133 125.288 122.820 -1.109 0.000 2.407 586 A HA 0.351 4.671 4.320 -0.000 0.000 0.248 586 A C -0.256 177.157 177.584 -0.285 0.000 1.082 586 A CA -0.117 51.432 52.037 -0.814 0.000 0.785 586 A CB 0.149 18.739 19.000 -0.683 0.000 1.020 586 A HN 0.533 nan 8.150 nan 0.000 0.489 587 L N 1.337 122.501 121.223 -0.099 0.000 2.399 587 L HA 0.294 4.634 4.340 -0.000 0.000 0.266 587 L C 0.661 177.535 176.870 0.007 0.000 1.114 587 L CA -0.351 54.493 54.840 0.006 0.000 0.804 587 L CB 0.819 42.955 42.059 0.129 0.000 1.146 587 L HN 0.774 nan 8.230 nan 0.000 0.451 588 Q N 2.572 122.382 119.800 0.017 0.000 2.295 588 Q HA 0.228 4.568 4.340 -0.000 0.000 0.259 588 Q C -2.247 173.782 176.000 0.048 0.000 0.976 588 Q CA -1.662 54.151 55.803 0.016 0.000 0.923 588 Q CB 1.099 29.840 28.738 0.005 0.000 1.185 588 Q HN 0.265 nan 8.270 nan 0.000 0.410 589 P HA -0.062 nan 4.420 nan 0.000 0.267 589 P C -0.842 176.490 177.300 0.053 0.000 1.205 589 P CA 0.318 63.450 63.100 0.054 0.000 0.765 589 P CB 0.575 32.300 31.700 0.040 0.000 0.828 590 D N -0.749 119.693 120.400 0.069 0.000 3.046 590 D HA -0.192 4.448 4.640 -0.000 0.000 0.210 590 D C 0.081 176.416 176.300 0.059 0.000 1.124 590 D CA 1.500 55.539 54.000 0.064 0.000 0.986 590 D CB -1.339 39.488 40.800 0.045 0.000 1.118 590 D HN 0.524 nan 8.370 nan 0.000 0.416 591 A N 0.465 123.323 122.820 0.062 0.000 2.290 591 A HA 0.541 4.861 4.320 -0.000 0.000 0.310 591 A C 0.513 178.135 177.584 0.063 0.000 1.202 591 A CA -0.146 51.917 52.037 0.044 0.000 0.837 591 A CB 0.887 19.903 19.000 0.027 0.000 1.139 591 A HN -0.013 nan 8.150 nan 0.000 0.509 592 T N 3.726 118.303 114.554 0.039 0.000 2.752 592 T HA 0.421 4.771 4.350 -0.000 0.000 0.295 592 T C -0.031 174.706 174.700 0.063 0.000 0.923 592 T CA 0.543 62.679 62.100 0.059 0.000 1.112 592 T CB -0.513 68.352 68.868 -0.005 0.000 0.884 592 T HN 0.414 nan 8.240 nan 0.000 0.525 593 L N 2.576 123.832 121.223 0.055 0.000 2.330 593 L HA 0.439 4.779 4.340 -0.000 0.000 0.271 593 L C 0.526 177.263 176.870 -0.222 0.000 1.013 593 L CA -1.083 53.700 54.840 -0.095 0.000 0.816 593 L CB 1.511 43.442 42.059 -0.212 0.000 1.287 593 L HN 0.644 nan 8.230 nan 0.000 0.435 594 H N 1.580 120.371 119.070 -0.464 0.000 2.723 594 H HA 0.297 4.853 4.556 -0.000 0.000 0.294 594 H C -1.513 173.383 175.328 -0.720 0.000 1.079 594 H CA -0.485 55.149 56.048 -0.690 0.000 1.411 594 H CB 0.532 29.967 29.762 -0.545 0.000 1.439 594 H HN 0.409 nan 8.280 nan 0.000 0.474 595 Y N 3.349 123.395 120.300 -0.424 0.000 2.352 595 Y HA 0.181 4.731 4.550 -0.000 0.000 0.339 595 Y C -0.367 175.257 175.900 -0.460 0.000 0.992 595 Y CA -0.746 57.088 58.100 -0.443 0.000 1.100 595 Y CB 1.368 39.617 38.460 -0.351 0.000 1.192 595 Y HN 0.686 nan 8.280 nan 0.000 0.458 596 H N 4.663 123.482 119.070 -0.418 0.000 3.078 596 H HA 0.508 5.064 4.556 -0.000 0.000 0.319 596 H C -1.706 173.535 175.328 -0.145 0.000 0.995 596 H CA -1.091 54.742 56.048 -0.360 0.000 1.417 596 H CB 0.418 29.931 29.762 -0.414 0.000 1.598 596 H HN 0.484 nan 8.280 nan 0.000 0.515 597 F N 1.251 120.935 119.950 -0.443 0.000 2.608 597 F HA 0.490 5.017 4.527 0.000 0.000 0.309 597 F C -0.577 175.170 175.800 -0.089 0.000 1.103 597 F CA -1.187 56.662 58.000 -0.251 0.000 0.954 597 F CB 0.691 39.374 39.000 -0.528 0.000 1.267 597 F HN 0.348 nan 8.300 nan 0.000 0.444 598 T N 1.534 116.258 114.554 0.284 0.000 2.913 598 T HA 0.659 5.009 4.350 -0.000 0.000 0.297 598 T C -0.305 174.623 174.700 0.380 0.000 1.029 598 T CA -0.500 61.729 62.100 0.216 0.000 1.104 598 T CB 0.941 69.946 68.868 0.228 0.000 0.964 598 T HN 0.729 nan 8.240 nan 0.000 0.532 599 L N 2.380 123.721 121.223 0.196 0.000 2.331 599 L HA 0.541 4.881 4.340 -0.000 0.000 0.268 599 L C -2.220 174.754 176.870 0.173 0.000 1.015 599 L CA -3.160 51.828 54.840 0.248 0.000 0.807 599 L CB 1.370 43.516 42.059 0.144 0.000 1.293 599 L HN 0.426 nan 8.230 nan 0.000 0.451 600 P HA -0.006 nan 4.420 nan 0.000 0.265 600 P C -0.716 176.596 177.300 0.020 0.000 1.187 600 P CA -0.094 63.060 63.100 0.090 0.000 0.766 600 P CB 0.430 32.183 31.700 0.087 0.000 0.820 601 A N 2.816 125.629 122.820 -0.012 0.000 2.507 601 A HA 0.413 4.733 4.320 -0.000 0.000 0.235 601 A C 0.241 177.793 177.584 -0.053 0.000 1.070 601 A CA 0.161 52.202 52.037 0.006 0.000 0.768 601 A CB -0.320 18.728 19.000 0.080 0.000 1.011 601 A HN 0.476 nan 8.150 nan 0.000 0.502 602 V N -0.819 119.098 119.914 0.004 0.000 3.007 602 V HA 0.845 4.965 4.120 -0.000 0.000 0.311 602 V C -0.613 175.494 176.094 0.022 0.000 1.120 602 V CA -0.779 61.492 62.300 -0.047 0.000 0.980 602 V CB 2.200 34.014 31.823 -0.015 0.000 1.033 602 V HN 0.898 nan 8.190 nan 0.000 0.429 603 N N 0.737 119.411 118.700 -0.043 0.000 2.700 603 N HA 0.352 5.092 4.740 -0.000 0.000 0.242 603 N C -1.185 174.297 175.510 -0.047 0.000 1.541 603 N CA -0.186 52.859 53.050 -0.008 0.000 0.764 603 N CB 0.290 38.741 38.487 -0.060 0.000 1.319 603 N HN 1.106 nan 8.380 nan 0.000 0.518 604 H N -0.785 118.188 119.070 -0.163 0.000 2.797 604 H HA 0.779 5.335 4.556 0.000 0.000 0.362 604 H C -1.148 174.034 175.328 -0.242 0.000 1.183 604 H CA -0.697 55.193 56.048 -0.263 0.000 1.197 604 H CB 1.651 31.166 29.762 -0.410 0.000 1.835 604 H HN -0.071 nan 8.280 nan 0.000 0.567 605 V N 3.696 123.079 119.914 -0.885 0.000 2.488 605 V HA 0.194 4.314 4.120 -0.000 0.000 0.293 605 V C -0.984 174.721 176.094 -0.649 0.000 1.027 605 V CA -0.616 61.381 62.300 -0.506 0.000 0.862 605 V CB 0.859 32.474 31.823 -0.348 0.000 1.008 605 V HN 0.607 nan 8.190 nan 0.000 0.428 606 F N 4.169 124.032 119.950 -0.145 0.000 2.464 606 F HA 0.578 5.105 4.527 -0.000 0.000 0.353 606 F C 1.160 176.849 175.800 -0.185 0.000 1.191 606 F CA -0.004 57.947 58.000 -0.082 0.000 1.147 606 F CB 0.533 39.596 39.000 0.105 0.000 1.294 606 F HN 0.598 nan 8.300 nan 0.000 0.583 607 A N 4.098 126.707 122.820 -0.352 0.000 2.325 607 A HA 0.222 4.542 4.320 -0.000 0.000 0.260 607 A C 0.574 178.194 177.584 0.060 0.000 1.133 607 A CA -0.603 51.307 52.037 -0.211 0.000 0.801 607 A CB 0.296 19.118 19.000 -0.296 0.000 1.092 607 A HN 0.651 nan 8.150 nan 0.000 0.504 608 K N -0.707 119.761 120.400 0.112 0.000 2.401 608 K HA 0.347 4.667 4.320 -0.000 0.000 0.278 608 K C 1.121 177.867 176.600 0.243 0.000 1.018 608 K CA 1.169 57.548 56.287 0.153 0.000 0.981 608 K CB 0.249 32.806 32.500 0.095 0.000 0.933 608 K HN 1.330 nan 8.250 nan 0.000 0.477 609 G N 1.888 110.803 108.800 0.191 0.000 2.217 609 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.246 609 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.246 609 G C 0.220 175.201 174.900 0.135 0.000 0.990 609 G CA -0.175 45.009 45.100 0.139 0.000 0.627 609 G HN 0.746 nan 8.290 nan 0.000 0.522 610 H N 0.001 119.138 119.070 0.110 0.000 2.408 610 H HA 0.692 5.248 4.556 -0.000 0.000 0.345 610 H C 0.506 175.914 175.328 0.135 0.000 1.547 610 H CA -0.054 56.085 56.048 0.151 0.000 1.447 610 H CB 0.778 30.679 29.762 0.232 0.000 1.686 610 H HN 0.193 nan 8.280 nan 0.000 0.625 611 R N 0.307 120.981 120.500 0.291 0.000 2.668 611 R HA 0.369 4.709 4.340 -0.000 0.000 0.272 611 R C -1.051 175.321 176.300 0.121 0.000 1.019 611 R CA -0.697 55.491 56.100 0.145 0.000 0.894 611 R CB 2.051 32.405 30.300 0.090 0.000 1.228 611 R HN 0.438 nan 8.270 nan 0.000 0.460 612 I N 3.236 123.755 120.570 -0.085 0.000 2.353 612 I HA 0.415 4.585 4.170 -0.000 0.000 0.293 612 I C 0.057 176.116 176.117 -0.097 0.000 0.992 612 I CA -0.369 60.770 61.300 -0.269 0.000 1.268 612 I CB 1.596 39.203 38.000 -0.655 0.000 1.387 612 I HN 0.416 nan 8.210 nan 0.000 0.478 613 M N 6.778 126.376 119.600 -0.004 0.000 2.457 613 M HA 0.627 5.107 4.480 -0.000 0.000 0.300 613 M C -2.005 174.327 176.300 0.052 0.000 1.141 613 M CA -0.630 54.692 55.300 0.036 0.000 0.901 613 M CB 2.403 35.045 32.600 0.070 0.000 1.687 613 M HN 0.317 nan 8.290 nan 0.000 0.449 614 V N 4.009 123.968 119.914 0.076 0.000 2.444 614 V HA 0.438 4.558 4.120 -0.000 0.000 0.294 614 V C -0.893 175.289 176.094 0.147 0.000 1.022 614 V CA -0.511 61.840 62.300 0.084 0.000 0.850 614 V CB 1.835 33.670 31.823 0.020 0.000 0.992 614 V HN 0.871 nan 8.190 nan 0.000 0.426 615 Q N 4.010 123.873 119.800 0.104 0.000 2.331 615 Q HA 0.701 5.041 4.340 -0.000 0.000 0.267 615 Q C -1.359 174.671 176.000 0.050 0.000 1.006 615 Q CA -0.472 55.379 55.803 0.080 0.000 0.818 615 Q CB 2.590 31.359 28.738 0.052 0.000 1.276 615 Q HN 0.679 nan 8.270 nan 0.000 0.450 616 I N 3.362 123.952 120.570 0.034 0.000 2.436 616 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 616 I C -0.361 175.666 176.117 -0.149 0.000 1.010 616 I CA -0.440 60.875 61.300 0.025 0.000 1.098 616 I CB 1.656 39.751 38.000 0.159 0.000 1.266 616 I HN 0.593 nan 8.210 nan 0.000 0.434 617 Q N 3.046 122.797 119.800 -0.080 0.000 2.687 617 Q HA 0.571 4.911 4.340 -0.000 0.000 0.305 617 Q C -1.032 175.018 176.000 0.083 0.000 1.006 617 Q CA -0.910 54.828 55.803 -0.109 0.000 0.763 617 Q CB 1.965 30.619 28.738 -0.140 0.000 1.506 617 Q HN 0.386 nan 8.270 nan 0.000 0.459 618 S N -0.132 115.634 115.700 0.110 0.000 2.701 618 S HA 0.291 4.761 4.470 -0.000 0.000 0.242 618 S C -0.784 173.798 174.600 -0.029 0.000 1.025 618 S CA -0.015 58.166 58.200 -0.031 0.000 1.016 618 S CB 0.476 63.607 63.200 -0.114 0.000 0.977 618 S HN 0.556 nan 8.310 nan 0.000 0.546 619 S N 0.171 115.892 115.700 0.035 0.000 2.556 619 S HA 0.647 5.117 4.470 -0.000 0.000 0.271 619 S C -1.846 172.927 174.600 0.288 0.000 1.135 619 S CA -0.682 57.607 58.200 0.148 0.000 0.858 619 S CB 1.400 64.694 63.200 0.156 0.000 1.114 619 S HN 0.310 nan 8.310 nan 0.000 0.468 620 W N 2.173 123.610 121.300 0.228 0.000 1.504 620 W HA 0.476 5.136 4.660 -0.000 0.000 0.313 620 W C -1.761 174.907 176.519 0.249 0.000 0.936 620 W CA -1.779 55.727 57.345 0.268 0.000 1.471 620 W CB 0.420 30.046 29.460 0.276 0.000 1.627 620 W HN 0.638 nan 8.180 nan 0.000 0.408 621 F N 4.268 124.395 119.950 0.295 0.000 2.375 621 F HA 0.473 5.000 4.527 -0.000 0.000 0.333 621 F C -1.086 174.858 175.800 0.240 0.000 1.104 621 F CA -2.327 55.745 58.000 0.121 0.000 1.149 621 F CB 1.242 40.270 39.000 0.045 0.000 1.190 621 F HN -0.082 nan 8.300 nan 0.000 0.533 622 P HA 0.009 nan 4.420 nan 0.000 0.262 622 P C 1.403 178.136 177.300 -0.945 0.000 1.304 622 P CA 0.259 62.595 63.100 -1.274 0.000 0.859 622 P CB 0.263 31.273 31.700 -1.150 0.000 1.310 623 L N -0.045 120.602 121.223 -0.960 0.000 1.989 623 L HA -0.050 4.290 4.340 -0.000 0.000 0.211 623 L C 0.385 176.673 176.870 -0.969 0.000 1.071 623 L CA 1.821 55.972 54.840 -1.148 0.000 0.749 623 L CB -1.269 39.615 42.059 -1.957 0.000 0.890 623 L HN -0.111 nan 8.230 nan 0.000 0.431 624 Y N 0.677 120.723 120.300 -0.423 0.000 2.342 624 Y HA 0.301 4.851 4.550 -0.000 0.000 0.334 624 Y C 0.080 175.980 175.900 -0.000 0.000 1.067 624 Y CA -1.828 56.155 58.100 -0.194 0.000 1.128 624 Y CB 0.445 38.908 38.460 0.005 0.000 1.200 624 Y HN 0.236 nan 8.280 nan 0.000 0.464 625 D N 2.418 122.947 120.400 0.215 0.000 2.414 625 D HA 0.042 4.682 4.640 -0.000 0.000 0.242 625 D C -0.331 176.194 176.300 0.374 0.000 1.129 625 D CA -0.399 53.818 54.000 0.361 0.000 0.885 625 D CB 0.700 41.762 40.800 0.436 0.000 1.198 625 D HN 0.480 nan 8.370 nan 0.000 0.437 626 R N 1.350 122.091 120.500 0.401 0.000 2.623 626 R HA 0.074 4.414 4.340 -0.000 0.000 0.271 626 R C 0.673 177.122 176.300 0.249 0.000 1.043 626 R CA -0.301 55.955 56.100 0.260 0.000 1.083 626 R CB 0.233 30.605 30.300 0.120 0.000 0.974 626 R HN 0.462 nan 8.270 nan 0.000 0.436 627 N N 3.317 122.096 118.700 0.130 0.000 2.422 627 N HA 0.086 4.826 4.740 -0.000 0.000 0.264 627 N C -1.944 173.578 175.510 0.019 0.000 1.063 627 N CA -1.892 51.179 53.050 0.034 0.000 0.959 627 N CB 1.482 39.943 38.487 -0.042 0.000 1.087 627 N HN 0.252 nan 8.380 nan 0.000 0.483 628 P HA -0.072 nan 4.420 nan 0.000 0.223 628 P C -0.164 177.066 177.300 -0.117 0.000 1.144 628 P CA 0.933 63.843 63.100 -0.317 0.000 0.783 628 P CB 0.236 31.602 31.700 -0.557 0.000 0.771 629 Q N -3.295 116.460 119.800 -0.075 0.000 2.424 629 Q HA -0.216 4.124 4.340 -0.000 0.000 0.234 629 Q C 0.100 176.090 176.000 -0.017 0.000 0.748 629 Q CA 1.044 56.821 55.803 -0.043 0.000 1.286 629 Q CB -1.413 27.307 28.738 -0.030 0.000 1.494 629 Q HN 0.275 nan 8.270 nan 0.000 0.683 630 K N 0.063 120.442 120.400 -0.034 0.000 2.482 630 K HA 0.374 4.694 4.320 -0.000 0.000 0.251 630 K C -1.322 175.289 176.600 0.017 0.000 0.936 630 K CA -0.802 55.486 56.287 0.002 0.000 0.791 630 K CB 0.873 33.352 32.500 -0.035 0.000 1.213 630 K HN -0.001 nan 8.250 nan 0.000 0.428 631 F N 5.717 125.632 119.950 -0.058 0.000 2.519 631 F HA 0.158 4.685 4.527 0.000 0.000 0.375 631 F C -0.360 175.404 175.800 -0.060 0.000 1.084 631 F CA 0.079 58.042 58.000 -0.061 0.000 1.147 631 F CB 0.369 39.343 39.000 -0.043 0.000 1.088 631 F HN 0.198 nan 8.300 nan 0.000 0.555 632 V N 5.109 124.630 119.914 -0.656 0.000 2.715 632 V HA 0.492 4.612 4.120 -0.000 0.000 0.310 632 V C -2.095 173.554 176.094 -0.741 0.000 1.054 632 V CA -1.984 60.008 62.300 -0.514 0.000 0.928 632 V CB 1.475 33.120 31.823 -0.297 0.000 1.007 632 V HN 0.498 nan 8.190 nan 0.000 0.437 633 P HA -0.083 nan 4.420 nan 0.000 0.216 633 P C 0.207 177.353 177.300 -0.257 0.000 1.150 633 P CA 1.466 64.371 63.100 -0.325 0.000 0.843 633 P CB 0.131 31.745 31.700 -0.144 0.000 0.787 634 N N -1.222 117.354 118.700 -0.206 0.000 2.500 634 N HA 0.185 4.925 4.740 -0.000 0.000 0.291 634 N C 0.558 175.996 175.510 -0.120 0.000 1.092 634 N CA -0.399 52.569 53.050 -0.137 0.000 0.890 634 N CB 0.906 39.337 38.487 -0.093 0.000 1.466 634 N HN -0.199 nan 8.380 nan 0.000 0.507 635 I N 2.018 122.487 120.570 -0.167 0.000 2.567 635 I HA -0.192 3.978 4.170 -0.000 0.000 0.257 635 I C 1.225 177.344 176.117 0.003 0.000 1.184 635 I CA 0.818 62.037 61.300 -0.136 0.000 1.451 635 I CB -0.133 37.772 38.000 -0.158 0.000 1.089 635 I HN 0.416 nan 8.210 nan 0.000 0.441 636 F N 1.195 121.199 119.950 0.089 0.000 2.171 636 F HA -0.199 4.328 4.527 -0.000 0.000 0.300 636 F C 1.540 177.475 175.800 0.224 0.000 1.090 636 F CA 1.189 59.303 58.000 0.189 0.000 1.293 636 F CB -0.421 38.656 39.000 0.128 0.000 1.013 636 F HN 0.126 nan 8.300 nan 0.000 0.486 637 D N 0.332 120.920 120.400 0.314 0.000 2.722 637 D HA 0.252 4.892 4.640 -0.000 0.000 0.239 637 D C 0.349 176.732 176.300 0.139 0.000 1.249 637 D CA 0.088 54.234 54.000 0.243 0.000 0.830 637 D CB -0.256 40.668 40.800 0.207 0.000 1.025 637 D HN 0.021 nan 8.370 nan 0.000 0.486 638 A N 1.096 123.994 122.820 0.130 0.000 2.450 638 A HA 0.158 4.478 4.320 -0.000 0.000 0.255 638 A C 0.789 178.452 177.584 0.132 0.000 1.096 638 A CA -0.134 51.913 52.037 0.017 0.000 0.778 638 A CB 0.821 19.723 19.000 -0.164 0.000 1.031 638 A HN -0.040 nan 8.150 nan 0.000 0.494 639 K N 2.884 123.327 120.400 0.072 0.000 2.098 639 K HA 0.234 4.554 4.320 -0.000 0.000 0.257 639 K C -1.826 174.912 176.600 0.230 0.000 0.999 639 K CA -1.650 54.717 56.287 0.132 0.000 0.924 639 K CB 0.582 33.125 32.500 0.071 0.000 1.028 639 K HN 0.313 nan 8.250 nan 0.000 0.466 640 P HA -0.205 nan 4.420 nan 0.000 0.216 640 P C 0.832 178.274 177.300 0.237 0.000 1.153 640 P CA 1.423 64.669 63.100 0.244 0.000 0.858 640 P CB 0.128 31.899 31.700 0.117 0.000 0.789 641 A N -0.778 122.124 122.820 0.137 0.000 2.168 641 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 641 A C 1.760 179.385 177.584 0.067 0.000 1.152 641 A CA 1.332 53.425 52.037 0.093 0.000 0.716 641 A CB -0.971 18.064 19.000 0.058 0.000 0.794 641 A HN 0.078 nan 8.150 nan 0.000 0.465 642 D N -1.059 119.360 120.400 0.031 0.000 2.183 642 D HA -0.028 4.612 4.640 -0.000 0.000 0.203 642 D C -0.255 175.960 176.300 -0.141 0.000 0.969 642 D CA 0.619 54.560 54.000 -0.099 0.000 0.842 642 D CB -0.267 40.399 40.800 -0.223 0.000 0.957 642 D HN 0.546 nan 8.370 nan 0.000 0.484 643 Y N 1.572 121.875 120.300 0.005 0.000 2.697 643 Y HA 0.095 4.645 4.550 -0.000 0.000 0.349 643 Y C 0.795 176.693 175.900 -0.002 0.000 1.120 643 Y CA 0.053 58.150 58.100 -0.005 0.000 1.468 643 Y CB -0.059 38.392 38.460 -0.015 0.000 1.182 643 Y HN -0.274 nan 8.280 nan 0.000 0.525 644 T N 1.410 116.019 114.554 0.091 0.000 2.856 644 T HA 0.548 4.898 4.350 -0.000 0.000 0.283 644 T C -0.305 174.430 174.700 0.058 0.000 1.008 644 T CA -1.029 61.110 62.100 0.064 0.000 0.997 644 T CB 1.549 70.437 68.868 0.033 0.000 0.992 644 T HN 0.202 nan 8.240 nan 0.000 0.454 645 V N 1.829 121.776 119.914 0.055 0.000 2.614 645 V HA 0.603 4.723 4.120 -0.000 0.000 0.291 645 V C 0.502 176.614 176.094 0.031 0.000 1.049 645 V CA -0.336 61.994 62.300 0.050 0.000 1.038 645 V CB 0.361 32.218 31.823 0.056 0.000 0.980 645 V HN 1.215 nan 8.190 nan 0.000 0.481 646 A N 3.494 126.323 122.820 0.015 0.000 2.498 646 A HA 0.769 5.089 4.320 -0.000 0.000 0.298 646 A C -0.249 177.319 177.584 -0.027 0.000 1.075 646 A CA -0.594 51.441 52.037 -0.003 0.000 0.714 646 A CB 1.764 20.753 19.000 -0.018 0.000 1.299 646 A HN 0.665 nan 8.150 nan 0.000 0.407 647 T N 3.220 117.763 114.554 -0.019 0.000 2.733 647 T HA 0.435 4.785 4.350 -0.000 0.000 0.294 647 T C -0.461 174.200 174.700 -0.065 0.000 0.956 647 T CA -0.284 61.793 62.100 -0.039 0.000 0.987 647 T CB 0.541 69.411 68.868 0.003 0.000 0.920 647 T HN 0.570 nan 8.240 nan 0.000 0.470 648 Q N 2.039 121.706 119.800 -0.222 0.000 2.256 648 Q HA 0.577 4.917 4.340 -0.000 0.000 0.257 648 Q C -0.676 175.255 176.000 -0.115 0.000 0.936 648 Q CA -0.610 55.068 55.803 -0.207 0.000 0.903 648 Q CB 1.930 30.295 28.738 -0.621 0.000 1.263 648 Q HN 0.505 nan 8.270 nan 0.000 0.440 649 S N 2.354 118.105 115.700 0.086 0.000 2.561 649 S HA 0.528 4.998 4.470 -0.000 0.000 0.303 649 S C -0.281 174.414 174.600 0.158 0.000 1.110 649 S CA -0.682 57.595 58.200 0.128 0.000 1.034 649 S CB 0.903 64.171 63.200 0.115 0.000 1.010 649 S HN 0.384 nan 8.310 nan 0.000 0.482 650 I N 3.334 124.036 120.570 0.219 0.000 2.337 650 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 650 I C 0.299 176.536 176.117 0.200 0.000 1.041 650 I CA -0.388 61.033 61.300 0.203 0.000 1.199 650 I CB 0.110 38.277 38.000 0.278 0.000 1.370 650 I HN 0.726 nan 8.210 nan 0.000 0.470 651 H N 6.211 125.325 119.070 0.073 0.000 2.732 651 H HA 0.346 4.902 4.556 -0.000 0.000 0.351 651 H C -0.404 174.929 175.328 0.008 0.000 1.090 651 H CA 0.440 56.476 56.048 -0.020 0.000 1.431 651 H CB 0.538 30.269 29.762 -0.051 0.000 1.447 651 H HN 0.690 nan 8.280 nan 0.000 0.582 652 H N 1.665 120.582 119.070 -0.254 0.000 2.851 652 H HA 0.590 5.146 4.556 -0.000 0.000 0.372 652 H C 0.129 175.352 175.328 -0.175 0.000 1.158 652 H CA -0.709 55.257 56.048 -0.136 0.000 1.159 652 H CB 1.171 30.848 29.762 -0.143 0.000 1.757 652 H HN 1.002 nan 8.280 nan 0.000 0.546 653 G N 0.215 109.016 108.800 0.001 0.000 2.795 653 G HA2 0.317 4.277 3.960 -0.000 0.000 0.664 653 G HA3 0.317 4.277 3.960 -0.000 0.000 0.664 653 G C 0.535 175.387 174.900 -0.080 0.000 1.381 653 G CA 0.423 45.449 45.100 -0.123 0.000 0.853 653 G HN 2.202 nan 8.290 nan 0.000 0.545 654 G N -0.332 108.410 108.800 -0.097 0.000 2.566 654 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.280 654 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.280 654 G C 1.029 175.911 174.900 -0.030 0.000 1.225 654 G CA 1.245 46.330 45.100 -0.025 0.000 0.966 654 G HN 1.557 nan 8.290 nan 0.000 0.560 655 K N 0.964 121.280 120.400 -0.140 0.000 2.296 655 K HA 0.142 4.462 4.320 -0.000 0.000 0.200 655 K C 1.254 177.538 176.600 -0.527 0.000 1.048 655 K CA 1.347 57.488 56.287 -0.242 0.000 0.966 655 K CB 0.107 32.479 32.500 -0.214 0.000 0.754 655 K HN 0.519 nan 8.250 nan 0.000 0.466 656 E N 0.644 120.463 120.200 -0.635 0.000 2.947 656 E HA 0.203 4.553 4.350 -0.000 0.000 0.229 656 E C -1.231 174.970 176.600 -0.666 0.000 1.158 656 E CA -0.422 55.203 56.400 -1.292 0.000 1.441 656 E CB 1.207 30.302 29.700 -1.008 0.000 1.414 656 E HN 0.145 nan 8.360 nan 0.000 0.432 657 A N 1.468 124.066 122.820 -0.371 0.000 2.457 657 A HA 0.152 4.472 4.320 -0.000 0.000 0.298 657 A C 0.433 178.182 177.584 0.275 0.000 1.288 657 A CA -0.209 51.858 52.037 0.050 0.000 0.956 657 A CB -0.113 18.977 19.000 0.150 0.000 1.135 657 A HN 0.140 nan 8.150 nan 0.000 0.535 658 T N 2.667 117.390 114.554 0.282 0.000 2.888 658 T HA 0.442 4.792 4.350 -0.000 0.000 0.301 658 T C 0.663 175.438 174.700 0.124 0.000 1.001 658 T CA 0.859 63.121 62.100 0.270 0.000 1.147 658 T CB 0.278 69.234 68.868 0.147 0.000 0.931 658 T HN 1.173 nan 8.240 nan 0.000 0.541 659 S N 2.459 118.186 115.700 0.045 0.000 2.643 659 S HA 0.679 5.149 4.470 -0.000 0.000 0.270 659 S C -1.714 172.793 174.600 -0.154 0.000 1.166 659 S CA -1.038 57.099 58.200 -0.105 0.000 0.815 659 S CB 1.243 64.294 63.200 -0.248 0.000 1.139 659 S HN 0.360 nan 8.310 nan 0.000 0.472 660 I N 2.254 122.707 120.570 -0.196 0.000 2.390 660 I HA 0.336 4.506 4.170 -0.000 0.000 0.283 660 I C -0.547 175.471 176.117 -0.164 0.000 1.016 660 I CA -0.832 60.362 61.300 -0.177 0.000 1.151 660 I CB 0.979 38.892 38.000 -0.145 0.000 1.293 660 I HN 0.668 nan 8.210 nan 0.000 0.458 661 L N 6.762 127.893 121.223 -0.153 0.000 2.623 661 L HA 0.169 4.509 4.340 -0.000 0.000 0.281 661 L C 0.322 177.144 176.870 -0.079 0.000 1.150 661 L CA 0.104 54.877 54.840 -0.113 0.000 0.965 661 L CB -0.312 41.694 42.059 -0.089 0.000 1.303 661 L HN 0.332 nan 8.230 nan 0.000 0.467 662 L N 6.240 127.437 121.223 -0.043 0.000 2.349 662 L HA 0.275 4.615 4.340 -0.000 0.000 0.275 662 L C -1.652 175.221 176.870 0.005 0.000 1.115 662 L CA -1.644 53.202 54.840 0.009 0.000 0.820 662 L CB 1.185 43.288 42.059 0.072 0.000 1.135 662 L HN 0.339 nan 8.230 nan 0.000 0.445 663 P HA 0.088 nan 4.420 nan 0.000 0.214 663 P C -0.352 176.942 177.300 -0.009 0.000 1.826 663 P CA -0.193 62.883 63.100 -0.040 0.000 0.977 663 P CB 0.022 31.676 31.700 -0.078 0.000 1.930 664 V N 2.734 122.652 119.914 0.007 0.000 2.529 664 V HA 0.078 4.198 4.120 -0.000 0.000 0.292 664 V C 1.143 177.222 176.094 -0.026 0.000 1.028 664 V CA 0.070 62.376 62.300 0.010 0.000 1.074 664 V CB 0.826 32.638 31.823 -0.019 0.000 0.958 664 V HN 0.253 nan 8.190 nan 0.000 0.481 665 V N 2.668 122.576 119.914 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