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 2r5n_1_B DATA FIRST_RESID 2 DATA SEQUENCE SSRKELANAI RALSMDAVQK AKSGHPGAPM GMADIAEVLW RDFLKHNPQN DATA SEQUENCE PSWADRDRFV LSNGHGSMLI YSLLHLTGYD LPMEELKNFR QLHSKTPGHP DATA SEQUENCE EVGYTAGVET TTGPLGQGIA NAVGMAIAEK TLAAQFNRPG HDIVDHYTYA DATA SEQUENCE FMGDGCMMEG ISHEVCSLAG TLKLGKLIAF YDDNGISIDG HVEGWFTDDT DATA SEQUENCE AMRFEAYGWH VIRDIDGHDA ASIKRAVEEA RAVTDKPSLL MCKTIIGFGS DATA SEQUENCE PNKAGTHDSH GAPLGDAEIA LTREQLGWKY APFEIPSEIY AQWDAKEAGQ DATA SEQUENCE AKESAWNEKF AAYAKAYPQE AAEFTRRMKG EMPSDFDAKA KEFIAKLQAN DATA SEQUENCE PAKIASRKAS QNAIEAFGPL LPEFLGGSAD LAPSNLTLWS GSKAINEDAA DATA SEQUENCE GNYIHYGVRE FGMTAIANGI SLHGGFLPYT STFLMFVEYA RNAVRMAALM DATA SEQUENCE KQRQVMVYTH DSIGLGEDGP THQPVEQVAS LRVTPNMSTW RPCDQVESAV DATA SEQUENCE AWKYGVERQD GPTALILSRQ NLAQQERTEE QLANIARGGY VLKDCAGQPE DATA SEQUENCE LIFIATGSEV ELAVAAYEKL TAEGVKARVV SMPSTDAFDK QDAAYRESVL DATA SEQUENCE PKAVTARVAV EAGIADYWYK YVGLNGAIVG MTTFGESAPA ELLFEEFGFT DATA SEQUENCE VDNVVAKAKE LLH 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.608 174.600 0.013 0.000 1.055 2 S CA 0.000 58.217 58.200 0.028 0.000 1.107 2 S CB 0.000 63.233 63.200 0.055 0.000 0.593 3 S N 0.939 116.658 115.700 0.032 0.000 2.593 3 S HA 0.314 4.783 4.470 -0.001 0.000 0.269 3 S C 1.061 175.667 174.600 0.010 0.000 1.334 3 S CA -0.545 57.668 58.200 0.022 0.000 1.015 3 S CB 0.428 63.653 63.200 0.041 0.000 0.912 3 S HN 0.722 nan 8.310 nan 0.000 0.541 4 R N 1.321 121.813 120.500 -0.013 0.000 2.096 4 R HA -0.085 4.254 4.340 -0.001 0.000 0.235 4 R C 2.149 178.453 176.300 0.006 0.000 1.127 4 R CA 1.610 57.688 56.100 -0.038 0.000 0.968 4 R CB -0.390 29.884 30.300 -0.044 0.000 0.861 4 R HN 0.695 nan 8.270 nan 0.000 0.440 5 K N 0.504 120.926 120.400 0.037 0.000 2.097 5 K HA -0.179 4.140 4.320 -0.001 0.000 0.205 5 K C 2.033 178.706 176.600 0.121 0.000 1.050 5 K CA 1.306 57.631 56.287 0.065 0.000 0.938 5 K CB -0.030 32.515 32.500 0.075 0.000 0.718 5 K HN 0.059 nan 8.250 nan 0.000 0.442 6 E N 1.508 121.799 120.200 0.152 0.000 2.077 6 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 6 E C 1.830 178.613 176.600 0.305 0.000 0.989 6 E CA 1.065 57.623 56.400 0.264 0.000 0.800 6 E CB -0.147 29.692 29.700 0.232 0.000 0.746 6 E HN 0.180 nan 8.360 nan 0.000 0.452 7 L N -0.154 121.184 121.223 0.193 0.000 2.046 7 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 7 L C 2.542 179.657 176.870 0.408 0.000 1.077 7 L CA 1.163 56.151 54.840 0.246 0.000 0.747 7 L CB -0.601 41.358 42.059 -0.166 0.000 0.896 7 L HN 0.237 nan 8.230 nan 0.000 0.432 8 A N 0.106 123.055 122.820 0.215 0.000 1.930 8 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 8 A C 1.981 179.595 177.584 0.050 0.000 1.175 8 A CA 1.655 53.798 52.037 0.177 0.000 0.627 8 A CB -0.524 18.515 19.000 0.065 0.000 0.815 8 A HN 0.423 nan 8.150 nan 0.000 0.443 9 N N 0.662 119.380 118.700 0.029 0.000 2.364 9 N HA -0.089 4.651 4.740 -0.001 0.000 0.183 9 N C 1.736 176.879 175.510 -0.610 0.000 1.022 9 N CA 1.279 54.233 53.050 -0.160 0.000 0.883 9 N CB -0.513 37.995 38.487 0.034 0.000 0.965 9 N HN 0.495 nan 8.380 nan 0.000 0.438 10 A N 1.120 123.684 122.820 -0.426 0.000 1.908 10 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 10 A C 2.275 179.574 177.584 -0.475 0.000 1.181 10 A CA 0.921 52.627 52.037 -0.552 0.000 0.627 10 A CB -0.624 18.365 19.000 -0.019 0.000 0.818 10 A HN 0.228 nan 8.150 nan 0.000 0.445 11 I N -0.829 119.542 120.570 -0.331 0.000 2.179 11 I HA -0.298 3.871 4.170 -0.001 0.000 0.242 11 I C 2.782 178.708 176.117 -0.319 0.000 1.088 11 I CA 1.505 62.607 61.300 -0.329 0.000 1.357 11 I CB -0.391 37.456 38.000 -0.255 0.000 1.051 11 I HN 0.306 nan 8.210 nan 0.000 0.409 12 R N 0.823 121.137 120.500 -0.309 0.000 2.083 12 R HA -0.172 4.167 4.340 -0.001 0.000 0.237 12 R C 2.469 178.546 176.300 -0.371 0.000 1.137 12 R CA 1.645 57.579 56.100 -0.276 0.000 0.951 12 R CB -0.604 29.575 30.300 -0.202 0.000 0.851 12 R HN 0.391 nan 8.270 nan 0.000 0.434 13 A N 1.459 123.914 122.820 -0.607 0.000 1.858 13 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 13 A C 2.264 179.592 177.584 -0.426 0.000 1.190 13 A CA 1.157 52.816 52.037 -0.630 0.000 0.617 13 A CB -0.667 17.642 19.000 -1.152 0.000 0.827 13 A HN 0.168 nan 8.150 nan 0.000 0.443 14 L N -0.267 120.721 121.223 -0.391 0.000 2.042 14 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 14 L C 2.893 179.604 176.870 -0.265 0.000 1.076 14 L CA 1.615 56.278 54.840 -0.294 0.000 0.749 14 L CB -0.499 41.423 42.059 -0.228 0.000 0.893 14 L HN 0.353 nan 8.230 nan 0.000 0.432 15 S N 0.190 115.727 115.700 -0.273 0.000 2.345 15 S HA -0.181 4.289 4.470 -0.001 0.000 0.220 15 S C 1.954 176.429 174.600 -0.209 0.000 1.031 15 S CA 1.821 59.868 58.200 -0.254 0.000 0.996 15 S CB -0.264 62.800 63.200 -0.226 0.000 0.882 15 S HN 0.500 nan 8.310 nan 0.000 0.445 16 M N 1.363 120.848 119.600 -0.192 0.000 2.159 16 M HA -0.077 4.402 4.480 -0.001 0.000 0.263 16 M C 1.049 177.270 176.300 -0.131 0.000 1.063 16 M CA 1.687 56.904 55.300 -0.139 0.000 1.110 16 M CB -0.724 31.798 32.600 -0.130 0.000 1.374 16 M HN -0.047 nan 8.290 nan 0.000 0.411 17 D N 1.435 121.707 120.400 -0.213 0.000 2.117 17 D HA -0.011 4.628 4.640 -0.001 0.000 0.198 17 D C 2.336 178.596 176.300 -0.067 0.000 0.982 17 D CA 1.905 55.746 54.000 -0.266 0.000 0.828 17 D CB -0.220 40.191 40.800 -0.649 0.000 0.967 17 D HN 0.550 nan 8.370 nan 0.000 0.464 18 A N 0.653 123.467 122.820 -0.010 0.000 1.898 18 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 18 A C 2.523 180.232 177.584 0.208 0.000 1.181 18 A CA 0.957 53.122 52.037 0.213 0.000 0.620 18 A CB -0.697 18.318 19.000 0.024 0.000 0.819 18 A HN 0.125 nan 8.150 nan 0.000 0.442 19 V N -0.152 119.805 119.914 0.072 0.000 2.332 19 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 19 V C 2.765 178.952 176.094 0.154 0.000 1.055 19 V CA 2.431 64.847 62.300 0.193 0.000 1.038 19 V CB -0.725 31.146 31.823 0.079 0.000 0.651 19 V HN 0.673 nan 8.190 nan 0.000 0.450 20 Q N 0.460 120.313 119.800 0.087 0.000 2.050 20 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 20 Q C 2.250 178.316 176.000 0.110 0.000 0.980 20 Q CA 2.055 57.901 55.803 0.071 0.000 0.840 20 Q CB -0.412 28.345 28.738 0.031 0.000 0.898 20 Q HN 0.595 nan 8.270 nan 0.000 0.424 21 K N -0.978 119.528 120.400 0.175 0.000 2.057 21 K HA -0.103 4.216 4.320 -0.001 0.000 0.207 21 K C 1.692 178.375 176.600 0.137 0.000 1.049 21 K CA 1.269 57.668 56.287 0.186 0.000 0.931 21 K CB -0.252 32.422 32.500 0.290 0.000 0.714 21 K HN 0.257 nan 8.250 nan 0.000 0.440 22 A N 0.839 123.764 122.820 0.175 0.000 2.119 22 A HA -0.039 4.280 4.320 -0.001 0.000 0.216 22 A C 0.397 178.017 177.584 0.060 0.000 1.152 22 A CA 0.991 53.097 52.037 0.115 0.000 0.708 22 A CB -0.215 18.882 19.000 0.162 0.000 0.805 22 A HN 0.445 nan 8.150 nan 0.000 0.460 23 K N -0.873 119.569 120.400 0.070 0.000 3.016 23 K HA -0.160 4.159 4.320 -0.001 0.000 0.262 23 K C -0.113 176.497 176.600 0.016 0.000 1.043 23 K CA 0.835 57.144 56.287 0.036 0.000 0.761 23 K CB -1.926 30.587 32.500 0.021 0.000 1.230 23 K HN 0.475 nan 8.250 nan 0.000 0.485 24 S N -1.427 114.293 115.700 0.033 0.000 2.548 24 S HA 0.689 5.159 4.470 -0.001 0.000 0.278 24 S C -0.487 174.147 174.600 0.056 0.000 1.150 24 S CA 0.272 58.467 58.200 -0.009 0.000 0.907 24 S CB 1.989 65.154 63.200 -0.059 0.000 1.108 24 S HN 0.923 nan 8.310 nan 0.000 0.459 25 G N 2.905 111.686 108.800 -0.032 0.000 2.331 25 G HA2 0.195 4.154 3.960 -0.001 0.000 0.402 25 G HA3 0.195 4.154 3.960 -0.001 0.000 0.402 25 G C -2.004 172.781 174.900 -0.191 0.000 1.275 25 G CA -0.790 44.353 45.100 0.070 0.000 1.003 25 G HN 0.957 nan 8.290 nan 0.000 0.500 26 H N 1.233 120.343 119.070 0.067 0.000 2.866 26 H HA 0.507 5.062 4.556 -0.001 0.000 0.287 26 H C -1.668 173.638 175.328 -0.036 0.000 1.106 26 H CA -1.225 54.796 56.048 -0.046 0.000 1.396 26 H CB 2.090 31.821 29.762 -0.052 0.000 1.469 26 H HN 0.343 nan 8.280 nan 0.000 0.500 27 P HA 0.015 nan 4.420 nan 0.000 0.239 27 P C 1.582 178.893 177.300 0.018 0.000 1.188 27 P CA 0.572 63.669 63.100 -0.004 0.000 0.794 27 P CB 0.547 32.229 31.700 -0.029 0.000 0.937 28 G N 1.399 110.233 108.800 0.056 0.000 2.480 28 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.216 28 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.216 28 G C 1.784 176.745 174.900 0.100 0.000 1.200 28 G CA 1.275 46.430 45.100 0.090 0.000 0.782 28 G HN 0.320 nan 8.290 nan 0.000 0.554 29 A N 1.548 124.443 122.820 0.125 0.000 1.902 29 A HA 0.085 4.404 4.320 -0.001 0.000 0.217 29 A C 0.811 178.406 177.584 0.019 0.000 1.181 29 A CA 2.059 54.148 52.037 0.086 0.000 0.623 29 A CB -1.187 17.861 19.000 0.081 0.000 0.818 29 A HN 0.388 nan 8.150 nan 0.000 0.443 30 P HA -0.161 nan 4.420 nan 0.000 0.215 30 P C 1.627 178.900 177.300 -0.044 0.000 1.153 30 P CA 1.456 64.521 63.100 -0.058 0.000 0.853 30 P CB -0.198 31.436 31.700 -0.109 0.000 0.788 31 M N -1.494 118.098 119.600 -0.013 0.000 2.175 31 M HA -0.040 4.440 4.480 -0.001 0.000 0.264 31 M C 2.253 178.610 176.300 0.095 0.000 1.063 31 M CA 2.059 57.375 55.300 0.028 0.000 1.119 31 M CB -1.260 31.366 32.600 0.045 0.000 1.377 31 M HN -0.011 nan 8.290 nan 0.000 0.415 32 G N -0.072 108.791 108.800 0.104 0.000 2.421 32 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.217 32 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.217 32 G C 1.452 176.365 174.900 0.023 0.000 1.143 32 G CA 0.382 45.573 45.100 0.152 0.000 0.784 32 G HN 0.379 nan 8.290 nan 0.000 0.541 33 M N 0.621 120.188 119.600 -0.055 0.000 2.371 33 M HA 0.310 4.789 4.480 -0.001 0.000 0.246 33 M C 2.626 178.859 176.300 -0.112 0.000 1.103 33 M CA 0.228 55.430 55.300 -0.162 0.000 1.010 33 M CB 0.592 33.068 32.600 -0.207 0.000 1.457 33 M HN 0.262 nan 8.290 nan 0.000 0.486 34 A N 1.335 124.115 122.820 -0.067 0.000 1.908 34 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 34 A C 1.708 179.278 177.584 -0.023 0.000 1.181 34 A CA 1.899 53.908 52.037 -0.047 0.000 0.627 34 A CB -0.466 18.500 19.000 -0.057 0.000 0.818 34 A HN 0.404 nan 8.150 nan 0.000 0.445 35 D N -0.049 120.310 120.400 -0.070 0.000 2.144 35 D HA -0.092 4.547 4.640 -0.001 0.000 0.200 35 D C 1.896 178.166 176.300 -0.050 0.000 0.978 35 D CA 1.237 55.201 54.000 -0.060 0.000 0.833 35 D CB -0.333 40.409 40.800 -0.097 0.000 0.961 35 D HN 0.553 nan 8.370 nan 0.000 0.470 36 I N 1.568 122.070 120.570 -0.114 0.000 2.226 36 I HA -0.228 3.942 4.170 -0.001 0.000 0.245 36 I C 2.609 178.721 176.117 -0.008 0.000 1.100 36 I CA 1.013 62.236 61.300 -0.129 0.000 1.374 36 I CB -0.244 37.548 38.000 -0.345 0.000 1.057 36 I HN -0.093 nan 8.210 nan 0.000 0.413 37 A N 0.153 123.019 122.820 0.077 0.000 1.933 37 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 37 A C 2.368 180.068 177.584 0.193 0.000 1.175 37 A CA 1.634 53.777 52.037 0.177 0.000 0.628 37 A CB -0.530 18.494 19.000 0.039 0.000 0.814 37 A HN 0.423 nan 8.150 nan 0.000 0.444 38 E N 0.314 120.622 120.200 0.180 0.000 2.051 38 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 38 E C 2.076 178.701 176.600 0.043 0.000 0.991 38 E CA 1.706 58.189 56.400 0.138 0.000 0.799 38 E CB -0.267 29.463 29.700 0.049 0.000 0.748 38 E HN 0.321 nan 8.360 nan 0.000 0.449 39 V N 1.599 121.558 119.914 0.075 0.000 2.307 39 V HA -0.249 3.870 4.120 -0.001 0.000 0.245 39 V C 2.667 178.903 176.094 0.236 0.000 1.045 39 V CA 1.632 64.009 62.300 0.128 0.000 1.024 39 V CB -0.632 31.288 31.823 0.161 0.000 0.651 39 V HN 0.255 nan 8.190 nan 0.000 0.449 40 L N -0.725 120.619 121.223 0.201 0.000 1.994 40 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 40 L C 2.066 179.000 176.870 0.108 0.000 1.071 40 L CA 2.167 57.089 54.840 0.137 0.000 0.745 40 L CB -0.784 41.235 42.059 -0.068 0.000 0.892 40 L HN 0.381 nan 8.230 nan 0.000 0.431 41 W N 0.220 121.469 121.300 -0.086 0.000 2.409 41 W HA -0.026 4.633 4.660 -0.001 0.000 0.299 41 W C 2.852 179.394 176.519 0.037 0.000 1.203 41 W CA 1.357 58.666 57.345 -0.059 0.000 1.298 41 W CB -0.340 29.122 29.460 0.003 0.000 1.127 41 W HN 0.046 nan 8.180 nan 0.000 0.528 42 R N -0.567 120.039 120.500 0.177 0.000 2.119 42 R HA -0.059 4.280 4.340 -0.001 0.000 0.222 42 R C 1.076 177.341 176.300 -0.058 0.000 1.088 42 R CA 1.377 57.481 56.100 0.007 0.000 0.984 42 R CB -0.230 29.929 30.300 -0.234 0.000 0.884 42 R HN 0.069 nan 8.270 nan 0.000 0.447 43 D N -1.342 118.998 120.400 -0.101 0.000 2.380 43 D HA 0.056 4.695 4.640 -0.001 0.000 0.212 43 D C 0.816 176.746 176.300 -0.617 0.000 1.021 43 D CA 0.840 54.608 54.000 -0.388 0.000 0.884 43 D CB 0.381 40.855 40.800 -0.544 0.000 1.001 43 D HN 0.073 nan 8.370 nan 0.000 0.506 44 F N -0.420 119.503 119.950 -0.045 0.000 2.577 44 F HA 0.263 4.790 4.527 -0.001 0.000 0.282 44 F C 0.456 176.222 175.800 -0.057 0.000 0.957 44 F CA -0.601 57.361 58.000 -0.062 0.000 1.168 44 F CB 0.081 39.006 39.000 -0.125 0.000 0.958 44 F HN -0.221 nan 8.300 nan 0.000 0.702 45 L N 2.783 124.004 121.223 -0.003 0.000 2.584 45 L HA 0.037 4.376 4.340 -0.001 0.000 0.272 45 L C 0.458 177.405 176.870 0.128 0.000 1.195 45 L CA 0.302 55.075 54.840 -0.111 0.000 0.920 45 L CB 0.059 41.707 42.059 -0.685 0.000 1.173 45 L HN 0.025 nan 8.230 nan 0.000 0.489 46 K N 5.398 125.914 120.400 0.194 0.000 2.263 46 K HA 0.363 4.683 4.320 -0.001 0.000 0.282 46 K C -1.138 175.653 176.600 0.318 0.000 1.089 46 K CA -0.342 56.106 56.287 0.267 0.000 0.907 46 K CB 0.116 32.752 32.500 0.227 0.000 1.148 46 K HN 0.951 nan 8.250 nan 0.000 0.470 47 H N 0.120 119.321 119.070 0.218 0.000 3.042 47 H HA 0.360 4.915 4.556 -0.001 0.000 0.346 47 H C -1.651 173.831 175.328 0.256 0.000 1.294 47 H CA -1.280 54.920 56.048 0.253 0.000 1.141 47 H CB 1.096 30.913 29.762 0.092 0.000 1.872 47 H HN 0.315 nan 8.280 nan 0.000 0.541 48 N N 2.014 120.801 118.700 0.145 0.000 2.531 48 N HA 0.297 5.036 4.740 -0.001 0.000 0.268 48 N C -2.277 173.062 175.510 -0.286 0.000 1.023 48 N CA -2.797 50.158 53.050 -0.159 0.000 0.896 48 N CB 1.920 40.301 38.487 -0.176 0.000 1.233 48 N HN 0.399 nan 8.380 nan 0.000 0.512 49 P HA -0.121 nan 4.420 nan 0.000 0.218 49 P C 0.412 177.376 177.300 -0.560 0.000 1.146 49 P CA 1.396 63.828 63.100 -1.114 0.000 0.813 49 P CB 0.355 31.556 31.700 -0.831 0.000 0.778 50 Q N -2.064 117.548 119.800 -0.315 0.000 2.451 50 Q HA 0.028 4.367 4.340 -0.001 0.000 0.206 50 Q C 0.335 176.266 176.000 -0.114 0.000 0.947 50 Q CA 0.382 56.076 55.803 -0.182 0.000 0.937 50 Q CB -0.169 28.475 28.738 -0.156 0.000 1.025 50 Q HN 0.114 nan 8.270 nan 0.000 0.511 51 N N -0.453 118.189 118.700 -0.096 0.000 2.751 51 N HA 0.170 4.910 4.740 -0.001 0.000 0.238 51 N C -2.588 172.972 175.510 0.085 0.000 1.351 51 N CA -1.652 51.394 53.050 -0.006 0.000 0.751 51 N CB 1.160 39.636 38.487 -0.017 0.000 1.342 51 N HN -0.254 nan 8.380 nan 0.000 0.540 52 P HA 0.004 nan 4.420 nan 0.000 0.226 52 P C 0.347 177.726 177.300 0.131 0.000 1.146 52 P CA 0.949 64.188 63.100 0.232 0.000 0.773 52 P CB 0.389 32.265 31.700 0.294 0.000 0.772 53 S N -2.737 113.015 115.700 0.086 0.000 2.556 53 S HA 0.037 4.506 4.470 -0.001 0.000 0.216 53 S C 0.103 174.711 174.600 0.013 0.000 0.970 53 S CA -0.636 57.577 58.200 0.021 0.000 0.912 53 S CB -0.538 62.668 63.200 0.010 0.000 0.790 53 S HN 0.275 nan 8.310 nan 0.000 0.504 54 W N 3.192 124.394 121.300 -0.163 0.000 2.476 54 W HA 0.184 4.844 4.660 -0.001 0.000 0.338 54 W C 1.067 177.340 176.519 -0.411 0.000 1.328 54 W CA -0.702 56.483 57.345 -0.268 0.000 1.300 54 W CB -0.150 29.166 29.460 -0.241 0.000 1.252 54 W HN 0.185 nan 8.180 nan 0.000 0.568 55 A N 4.004 126.573 122.820 -0.419 0.000 1.978 55 A HA -0.243 4.077 4.320 -0.001 0.000 0.220 55 A C 1.606 178.648 177.584 -0.903 0.000 1.170 55 A CA 2.097 53.786 52.037 -0.580 0.000 0.636 55 A CB -0.448 18.352 19.000 -0.334 0.000 0.810 55 A HN 0.649 nan 8.150 nan 0.000 0.448 56 D N -0.948 118.491 120.400 -1.601 0.000 2.368 56 D HA 0.068 4.707 4.640 -0.001 0.000 0.218 56 D C 0.768 176.057 176.300 -1.684 0.000 1.112 56 D CA -0.332 52.819 54.000 -1.414 0.000 0.834 56 D CB -0.083 39.908 40.800 -1.348 0.000 0.953 56 D HN 0.595 nan 8.370 nan 0.000 0.505 57 R N 0.257 119.659 120.500 -1.830 0.000 2.734 57 R HA 0.125 4.464 4.340 -0.001 0.000 0.266 57 R C -0.349 175.512 176.300 -0.732 0.000 1.044 57 R CA -0.327 55.064 56.100 -1.181 0.000 1.128 57 R CB 0.370 30.328 30.300 -0.570 0.000 1.010 57 R HN -0.132 nan 8.270 nan 0.000 0.461 58 D N 1.421 121.645 120.400 -0.292 0.000 2.419 58 D HA 0.050 4.689 4.640 -0.001 0.000 0.236 58 D C -0.245 176.009 176.300 -0.077 0.000 1.165 58 D CA 0.295 54.271 54.000 -0.041 0.000 0.882 58 D CB 0.542 41.453 40.800 0.184 0.000 1.201 58 D HN 0.301 nan 8.370 nan 0.000 0.443 59 R N 0.698 121.213 120.500 0.025 0.000 2.393 59 R HA 0.430 4.770 4.340 -0.001 0.000 0.310 59 R C -0.797 175.607 176.300 0.173 0.000 0.968 59 R CA -0.690 55.439 56.100 0.049 0.000 0.867 59 R CB 0.626 30.955 30.300 0.049 0.000 1.124 59 R HN 0.318 nan 8.270 nan 0.000 0.450 60 F N 3.005 122.953 119.950 -0.003 0.000 2.469 60 F HA 0.667 5.193 4.527 -0.001 0.000 0.332 60 F C -1.005 174.816 175.800 0.034 0.000 1.103 60 F CA -0.897 57.119 58.000 0.027 0.000 0.979 60 F CB 1.313 40.283 39.000 -0.050 0.000 1.137 60 F HN 0.185 nan 8.300 nan 0.000 0.463 61 V N 7.184 126.577 119.914 -0.868 0.000 2.525 61 V HA 0.299 4.419 4.120 -0.001 0.000 0.299 61 V C -0.991 174.585 176.094 -0.862 0.000 1.034 61 V CA -0.783 61.144 62.300 -0.622 0.000 0.863 61 V CB 1.611 33.298 31.823 -0.227 0.000 0.999 61 V HN 0.694 nan 8.190 nan 0.000 0.423 62 L N 4.147 125.032 121.223 -0.563 0.000 2.328 62 L HA 0.387 4.726 4.340 -0.001 0.000 0.280 62 L C 1.413 178.219 176.870 -0.105 0.000 1.111 62 L CA 0.866 55.537 54.840 -0.281 0.000 0.909 62 L CB 1.058 43.057 42.059 -0.101 0.000 1.277 62 L HN 0.731 nan 8.230 nan 0.000 0.433 63 S N 2.568 118.243 115.700 -0.042 0.000 2.406 63 S HA -0.060 4.409 4.470 -0.001 0.000 0.228 63 S C 1.024 175.647 174.600 0.037 0.000 1.020 63 S CA 0.896 59.103 58.200 0.012 0.000 0.965 63 S CB -0.289 62.940 63.200 0.048 0.000 0.798 63 S HN 0.872 nan 8.310 nan 0.000 0.488 64 N N 1.467 120.183 118.700 0.027 0.000 3.178 64 N HA 0.192 4.931 4.740 -0.001 0.000 0.300 64 N C 0.739 176.059 175.510 -0.318 0.000 1.242 64 N CA 0.266 53.269 53.050 -0.080 0.000 1.192 64 N CB -0.287 38.171 38.487 -0.048 0.000 1.463 64 N HN 0.249 nan 8.380 nan 0.000 0.539 65 G N 0.654 109.402 108.800 -0.087 0.000 2.534 65 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.217 65 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.217 65 G C 1.234 176.130 174.900 -0.006 0.000 1.128 65 G CA 0.422 45.509 45.100 -0.021 0.000 0.784 65 G HN 0.751 nan 8.290 nan 0.000 0.542 66 H N 0.287 119.390 119.070 0.056 0.000 2.426 66 H HA -0.058 4.498 4.556 -0.001 0.000 0.298 66 H C 2.083 177.236 175.328 -0.291 0.000 1.107 66 H CA 0.943 56.791 56.048 -0.334 0.000 1.298 66 H CB -0.888 28.496 29.762 -0.630 0.000 1.377 66 H HN 0.194 nan 8.280 nan 0.000 0.519 67 G N 1.474 110.006 108.800 -0.446 0.000 3.397 67 G HA2 0.042 4.001 3.960 -0.001 0.000 0.248 67 G HA3 0.042 4.001 3.960 -0.001 0.000 0.248 67 G C 1.311 176.083 174.900 -0.214 0.000 1.284 67 G CA 0.310 45.277 45.100 -0.222 0.000 1.570 67 G HN 0.594 nan 8.290 nan 0.000 0.587 68 S N 0.286 115.857 115.700 -0.214 0.000 2.400 68 S HA -0.168 4.302 4.470 -0.001 0.000 0.232 68 S C 2.232 176.483 174.600 -0.583 0.000 1.025 68 S CA 0.681 58.651 58.200 -0.384 0.000 0.993 68 S CB -0.198 62.886 63.200 -0.194 0.000 0.808 68 S HN 0.234 nan 8.310 nan 0.000 0.478 69 M N 0.888 120.258 119.600 -0.384 0.000 2.358 69 M HA 0.112 4.591 4.480 -0.001 0.000 0.264 69 M C 2.009 178.114 176.300 -0.325 0.000 1.064 69 M CA 0.698 55.760 55.300 -0.396 0.000 1.093 69 M CB -1.394 30.916 32.600 -0.484 0.000 1.401 69 M HN 0.436 nan 8.290 nan 0.000 0.440 70 L N 0.450 121.497 121.223 -0.294 0.000 1.989 70 L HA -0.159 4.181 4.340 -0.001 0.000 0.211 70 L C 2.214 178.860 176.870 -0.373 0.000 1.071 70 L CA 1.763 56.440 54.840 -0.273 0.000 0.749 70 L CB -0.825 41.145 42.059 -0.148 0.000 0.890 70 L HN 0.246 nan 8.230 nan 0.000 0.431 71 I N -1.841 118.503 120.570 -0.378 0.000 2.315 71 I HA -0.315 3.854 4.170 -0.001 0.000 0.248 71 I C 2.119 178.037 176.117 -0.333 0.000 1.117 71 I CA 1.043 62.104 61.300 -0.398 0.000 1.404 71 I CB -0.114 37.756 38.000 -0.217 0.000 1.071 71 I HN 0.292 nan 8.210 nan 0.000 0.419 72 Y N 0.779 120.954 120.300 -0.209 0.000 2.181 72 Y HA -0.189 4.360 4.550 -0.001 0.000 0.288 72 Y C 2.931 178.700 175.900 -0.218 0.000 1.146 72 Y CA 1.085 59.078 58.100 -0.177 0.000 1.164 72 Y CB -1.400 36.979 38.460 -0.134 0.000 0.982 72 Y HN 0.156 nan 8.280 nan 0.000 0.515 73 S N 0.277 115.881 115.700 -0.160 0.000 2.359 73 S HA -0.177 4.292 4.470 -0.001 0.000 0.224 73 S C 2.196 176.542 174.600 -0.423 0.000 1.035 73 S CA 1.386 59.425 58.200 -0.268 0.000 1.018 73 S CB -0.738 62.250 63.200 -0.353 0.000 0.876 73 S HN 0.351 nan 8.310 nan 0.000 0.448 74 L N 0.934 121.784 121.223 -0.621 0.000 2.012 74 L HA -0.130 4.210 4.340 -0.001 0.000 0.210 74 L C 2.303 178.865 176.870 -0.513 0.000 1.073 74 L CA 1.159 55.459 54.840 -0.900 0.000 0.748 74 L CB -0.595 40.482 42.059 -1.637 0.000 0.891 74 L HN 0.283 nan 8.230 nan 0.000 0.431 75 L N -1.269 119.745 121.223 -0.348 0.000 2.056 75 L HA -0.245 4.095 4.340 -0.001 0.000 0.207 75 L C 2.671 179.624 176.870 0.138 0.000 1.078 75 L CA 1.258 56.031 54.840 -0.110 0.000 0.749 75 L CB -0.693 41.266 42.059 -0.167 0.000 0.901 75 L HN 0.320 nan 8.230 nan 0.000 0.433 76 H N 0.351 119.413 119.070 -0.013 0.000 2.293 76 H HA -0.144 4.411 4.556 -0.001 0.000 0.300 76 H C 2.180 177.562 175.328 0.090 0.000 1.082 76 H CA 1.745 57.821 56.048 0.047 0.000 1.308 76 H CB -0.097 29.672 29.762 0.013 0.000 1.375 76 H HN 0.114 nan 8.280 nan 0.000 0.495 77 L N -0.007 121.147 121.223 -0.115 0.000 2.083 77 L HA -0.126 4.213 4.340 -0.001 0.000 0.209 77 L C 2.404 179.325 176.870 0.086 0.000 1.083 77 L CA 1.739 56.477 54.840 -0.169 0.000 0.752 77 L CB -0.502 41.090 42.059 -0.778 0.000 0.899 77 L HN 0.559 nan 8.230 nan 0.000 0.433 78 T N -3.953 110.709 114.554 0.180 0.000 3.129 78 T HA 0.228 4.577 4.350 -0.001 0.000 0.251 78 T C 1.326 176.179 174.700 0.256 0.000 1.117 78 T CA 0.471 62.806 62.100 0.391 0.000 1.034 78 T CB 0.492 69.779 68.868 0.699 0.000 0.968 78 T HN 0.471 nan 8.240 nan 0.000 0.526 79 G N 0.049 108.944 108.800 0.158 0.000 2.148 79 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.203 79 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.203 79 G C -0.146 174.755 174.900 0.001 0.000 0.993 79 G CA -0.406 44.704 45.100 0.017 0.000 0.661 79 G HN 0.546 nan 8.290 nan 0.000 0.518 80 Y N 0.579 120.909 120.300 0.050 0.000 2.335 80 Y HA 0.360 4.910 4.550 -0.001 0.000 0.348 80 Y C 1.159 177.071 175.900 0.020 0.000 1.280 80 Y CA 0.400 58.536 58.100 0.060 0.000 1.504 80 Y CB 0.422 38.950 38.460 0.113 0.000 1.366 80 Y HN 0.111 nan 8.280 nan 0.000 0.621 81 D N 1.920 122.424 120.400 0.173 0.000 2.600 81 D HA 0.160 4.799 4.640 -0.001 0.000 0.226 81 D C -1.438 174.905 176.300 0.072 0.000 1.119 81 D CA 0.197 54.244 54.000 0.078 0.000 1.051 81 D CB -0.817 40.004 40.800 0.036 0.000 1.106 81 D HN 0.313 nan 8.370 nan 0.000 0.491 82 L N 4.049 125.335 121.223 0.106 0.000 2.492 82 L HA 0.443 4.783 4.340 -0.001 0.000 0.259 82 L C -2.645 174.335 176.870 0.183 0.000 1.229 82 L CA -1.695 53.197 54.840 0.087 0.000 0.903 82 L CB 1.596 43.714 42.059 0.099 0.000 1.114 82 L HN 0.022 nan 8.230 nan 0.000 0.494 83 P HA 0.161 nan 4.420 nan 0.000 0.272 83 P C 0.915 178.233 177.300 0.030 0.000 1.240 83 P CA -0.348 62.834 63.100 0.137 0.000 0.791 83 P CB 0.643 32.365 31.700 0.038 0.000 0.978 84 M N 1.299 120.893 119.600 -0.010 0.000 2.144 84 M HA -0.207 4.272 4.480 -0.001 0.000 0.260 84 M C 1.664 177.851 176.300 -0.189 0.000 1.067 84 M CA 1.921 57.094 55.300 -0.212 0.000 1.095 84 M CB -1.081 31.483 32.600 -0.059 0.000 1.365 84 M HN 0.308 nan 8.290 nan 0.000 0.406 85 E N 0.036 120.162 120.200 -0.123 0.000 2.160 85 E HA -0.185 4.164 4.350 -0.001 0.000 0.195 85 E C 1.820 178.333 176.600 -0.146 0.000 0.991 85 E CA 1.412 57.727 56.400 -0.142 0.000 0.810 85 E CB -0.133 29.517 29.700 -0.084 0.000 0.742 85 E HN 0.526 nan 8.360 nan 0.000 0.466 86 E N -0.342 119.785 120.200 -0.121 0.000 2.072 86 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 86 E C 2.031 178.546 176.600 -0.140 0.000 0.985 86 E CA 0.598 56.924 56.400 -0.123 0.000 0.801 86 E CB -0.207 29.414 29.700 -0.131 0.000 0.750 86 E HN 0.247 nan 8.360 nan 0.000 0.452 87 L N 1.191 122.314 121.223 -0.166 0.000 2.131 87 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 87 L C 2.100 178.901 176.870 -0.114 0.000 1.092 87 L CA 1.544 56.312 54.840 -0.120 0.000 0.759 87 L CB -0.438 41.549 42.059 -0.121 0.000 0.903 87 L HN -0.010 nan 8.230 nan 0.000 0.435 88 K N -0.477 119.726 120.400 -0.327 0.000 2.439 88 K HA -0.017 4.302 4.320 -0.001 0.000 0.197 88 K C 0.527 177.017 176.600 -0.183 0.000 1.041 88 K CA 0.498 56.491 56.287 -0.490 0.000 0.970 88 K CB -0.028 32.069 32.500 -0.672 0.000 0.773 88 K HN 0.274 nan 8.250 nan 0.000 0.479 89 N N 0.306 118.953 118.700 -0.089 0.000 2.275 89 N HA 0.016 4.755 4.740 -0.001 0.000 0.236 89 N C -0.567 174.966 175.510 0.038 0.000 1.154 89 N CA -0.302 52.730 53.050 -0.030 0.000 0.866 89 N CB 0.065 38.525 38.487 -0.046 0.000 1.093 89 N HN 0.025 nan 8.380 nan 0.000 0.515 90 F N 2.581 122.484 119.950 -0.078 0.000 2.604 90 F HA -0.098 4.428 4.527 -0.001 0.000 0.393 90 F C 1.255 177.053 175.800 -0.004 0.000 1.043 90 F CA 0.521 58.501 58.000 -0.033 0.000 1.227 90 F CB 0.221 39.240 39.000 0.032 0.000 1.016 90 F HN 0.211 nan 8.300 nan 0.000 0.556 91 R N 0.967 121.170 120.500 -0.495 0.000 3.989 91 R HA -0.208 4.131 4.340 -0.001 0.000 0.377 91 R C -0.495 175.677 176.300 -0.214 0.000 1.158 91 R CA 0.853 56.666 56.100 -0.477 0.000 1.035 91 R CB -1.375 28.507 30.300 -0.697 0.000 1.557 91 R HN 0.607 nan 8.270 nan 0.000 0.551 92 Q N 0.686 120.409 119.800 -0.129 0.000 2.222 92 Q HA 0.286 4.625 4.340 -0.001 0.000 0.252 92 Q C -0.017 175.931 176.000 -0.085 0.000 0.926 92 Q CA -1.092 54.659 55.803 -0.086 0.000 0.899 92 Q CB 0.984 29.692 28.738 -0.051 0.000 1.250 92 Q HN 0.094 nan 8.270 nan 0.000 0.441 93 L N 3.076 124.229 121.223 -0.115 0.000 2.601 93 L HA -0.101 4.239 4.340 -0.001 0.000 0.277 93 L C 0.193 176.981 176.870 -0.137 0.000 1.219 93 L CA 1.320 56.025 54.840 -0.226 0.000 0.915 93 L CB -0.747 41.144 42.059 -0.280 0.000 1.160 93 L HN 0.758 nan 8.230 nan 0.000 0.494 94 H N 0.603 119.681 119.070 0.014 0.000 3.179 94 H HA -0.192 4.364 4.556 -0.001 0.000 0.250 94 H C 0.830 176.213 175.328 0.093 0.000 1.142 94 H CA 0.671 56.740 56.048 0.036 0.000 1.165 94 H CB -1.513 28.256 29.762 0.012 0.000 1.253 94 H HN 0.816 nan 8.280 nan 0.000 0.325 95 S N 0.597 116.376 115.700 0.132 0.000 2.596 95 S HA 0.148 4.617 4.470 -0.001 0.000 0.260 95 S C 1.140 175.812 174.600 0.120 0.000 1.336 95 S CA -0.375 57.880 58.200 0.092 0.000 0.993 95 S CB 1.375 64.577 63.200 0.004 0.000 0.923 95 S HN 0.407 nan 8.310 nan 0.000 0.567 96 K N 0.492 120.893 120.400 0.001 0.000 2.476 96 K HA 0.074 4.394 4.320 -0.001 0.000 0.196 96 K C 0.250 176.708 176.600 -0.238 0.000 1.025 96 K CA 0.467 56.692 56.287 -0.103 0.000 1.138 96 K CB -0.227 32.105 32.500 -0.280 0.000 0.860 96 K HN 0.836 nan 8.250 nan 0.000 0.515 97 T N -0.423 113.984 114.554 -0.245 0.000 3.630 97 T HA 0.219 4.568 4.350 -0.001 0.000 0.238 97 T C -2.626 172.059 174.700 -0.024 0.000 1.195 97 T CA -1.937 59.849 62.100 -0.522 0.000 1.433 97 T CB 0.594 69.182 68.868 -0.467 0.000 0.940 97 T HN -0.129 nan 8.240 nan 0.000 0.641 98 P HA 0.167 nan 4.420 nan 0.000 0.271 98 P C 1.398 178.799 177.300 0.169 0.000 1.233 98 P CA 0.016 63.182 63.100 0.110 0.000 0.789 98 P CB 0.556 32.350 31.700 0.157 0.000 0.951 99 G N 0.422 109.196 108.800 -0.042 0.000 2.462 99 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.220 99 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.220 99 G C 0.101 174.895 174.900 -0.175 0.000 1.121 99 G CA 0.959 45.960 45.100 -0.164 0.000 0.758 99 G HN 0.624 nan 8.290 nan 0.000 0.559 100 H N -0.490 118.672 119.070 0.153 0.000 2.572 100 H HA 0.462 5.017 4.556 -0.001 0.000 0.359 100 H C -2.498 172.924 175.328 0.156 0.000 1.134 100 H CA -1.869 54.252 56.048 0.122 0.000 1.187 100 H CB 2.094 31.903 29.762 0.079 0.000 1.597 100 H HN -0.064 nan 8.280 nan 0.000 0.524 101 P HA 0.104 nan 4.420 nan 0.000 0.271 101 P C -0.842 176.575 177.300 0.194 0.000 1.216 101 P CA -0.180 63.035 63.100 0.192 0.000 0.776 101 P CB 0.840 32.557 31.700 0.029 0.000 0.881 102 E N 0.804 121.134 120.200 0.217 0.000 2.224 102 E HA 0.328 4.677 4.350 -0.001 0.000 0.265 102 E C -0.856 175.841 176.600 0.161 0.000 0.878 102 E CA -1.156 55.347 56.400 0.173 0.000 0.759 102 E CB 2.359 32.166 29.700 0.178 0.000 1.164 102 E HN 0.131 nan 8.360 nan 0.000 0.414 103 V N 2.837 122.827 119.914 0.127 0.000 2.655 103 V HA 0.407 4.526 4.120 -0.001 0.000 0.300 103 V C 0.957 177.127 176.094 0.126 0.000 1.044 103 V CA 2.048 64.417 62.300 0.115 0.000 1.095 103 V CB 0.586 32.461 31.823 0.087 0.000 0.952 103 V HN 1.009 nan 8.190 nan 0.000 0.485 104 G N 4.538 113.420 108.800 0.136 0.000 2.617 104 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.197 104 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.197 104 G C 0.438 175.472 174.900 0.222 0.000 1.017 104 G CA 0.603 45.791 45.100 0.147 0.000 0.713 104 G HN 0.929 nan 8.290 nan 0.000 0.481 105 Y N 1.751 122.091 120.300 0.068 0.000 2.652 105 Y HA 0.409 4.959 4.550 -0.001 0.000 0.275 105 Y C 1.142 177.083 175.900 0.069 0.000 1.133 105 Y CA 1.238 59.374 58.100 0.061 0.000 1.246 105 Y CB 0.517 39.010 38.460 0.054 0.000 1.334 105 Y HN 0.088 nan 8.280 nan 0.000 0.493 106 T N 3.340 117.938 114.554 0.074 0.000 2.737 106 T HA 0.504 4.853 4.350 -0.001 0.000 0.296 106 T C 0.131 174.864 174.700 0.055 0.000 0.922 106 T CA 0.041 62.141 62.100 0.001 0.000 1.079 106 T CB 0.502 69.430 68.868 0.099 0.000 0.892 106 T HN 0.423 nan 8.240 nan 0.000 0.514 107 A N 2.914 125.760 122.820 0.042 0.000 2.545 107 A HA 0.499 4.819 4.320 -0.001 0.000 0.253 107 A C 1.614 179.276 177.584 0.129 0.000 1.074 107 A CA 0.291 52.412 52.037 0.141 0.000 0.760 107 A CB -0.821 18.303 19.000 0.206 0.000 1.005 107 A HN 1.519 nan 8.150 nan 0.000 0.506 108 G N 1.314 110.200 108.800 0.143 0.000 2.194 108 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.236 108 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.236 108 G C 0.227 175.148 174.900 0.034 0.000 0.987 108 G CA 0.021 45.129 45.100 0.012 0.000 0.635 108 G HN 1.392 nan 8.290 nan 0.000 0.520 109 V N 1.999 121.960 119.914 0.078 0.000 2.455 109 V HA 0.316 4.435 4.120 -0.001 0.000 0.273 109 V C 1.335 177.485 176.094 0.094 0.000 1.045 109 V CA 0.082 62.445 62.300 0.105 0.000 0.976 109 V CB 1.533 33.440 31.823 0.139 0.000 0.993 109 V HN 0.313 nan 8.190 nan 0.000 0.475 110 E N 2.100 122.351 120.200 0.086 0.000 2.318 110 E HA 0.080 4.429 4.350 -0.001 0.000 0.193 110 E C 0.814 177.444 176.600 0.051 0.000 0.998 110 E CA 0.498 56.934 56.400 0.059 0.000 0.859 110 E CB 0.722 30.452 29.700 0.049 0.000 0.812 110 E HN 0.715 nan 8.360 nan 0.000 0.492 111 T N -0.833 113.753 114.554 0.054 0.000 2.749 111 T HA 0.234 4.583 4.350 -0.001 0.000 0.310 111 T C -1.388 173.348 174.700 0.061 0.000 1.496 111 T CA -0.538 61.593 62.100 0.051 0.000 1.006 111 T CB 1.696 70.583 68.868 0.031 0.000 1.457 111 T HN -0.240 nan 8.240 nan 0.000 0.497 112 T N 3.042 117.635 114.554 0.065 0.000 2.749 112 T HA 0.620 4.970 4.350 -0.001 0.000 0.287 112 T C 0.377 175.114 174.700 0.061 0.000 0.970 112 T CA -0.442 61.705 62.100 0.078 0.000 0.980 112 T CB 0.819 69.737 68.868 0.084 0.000 0.924 112 T HN 0.845 nan 8.240 nan 0.000 0.456 113 T N -0.060 114.534 114.554 0.067 0.000 2.768 113 T HA 0.870 5.219 4.350 -0.001 0.000 0.268 113 T C 1.065 175.794 174.700 0.049 0.000 0.969 113 T CA 0.024 62.154 62.100 0.050 0.000 1.008 113 T CB 1.629 70.517 68.868 0.034 0.000 1.371 113 T HN 0.761 nan 8.240 nan 0.000 0.587 114 G N 0.354 109.165 108.800 0.017 0.000 3.031 114 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.198 114 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.198 114 G C -2.498 172.328 174.900 -0.123 0.000 1.242 114 G CA -0.390 44.586 45.100 -0.207 0.000 0.878 114 G HN 0.871 nan 8.290 nan 0.000 0.493 115 P HA 0.550 nan 4.420 nan 0.000 0.279 115 P C 0.436 177.760 177.300 0.040 0.000 1.318 115 P CA -0.305 62.802 63.100 0.011 0.000 0.819 115 P CB 0.531 32.261 31.700 0.050 0.000 0.927 116 L N 2.290 123.544 121.223 0.051 0.000 2.514 116 L HA 0.125 4.464 4.340 -0.001 0.000 0.280 116 L C 1.821 178.708 176.870 0.029 0.000 1.223 116 L CA 1.218 56.094 54.840 0.061 0.000 0.864 116 L CB -0.419 41.679 42.059 0.066 0.000 1.118 116 L HN 0.778 nan 8.230 nan 0.000 0.494 117 G N 1.121 109.927 108.800 0.011 0.000 2.299 117 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.237 117 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.237 117 G C 0.907 175.746 174.900 -0.101 0.000 1.027 117 G CA 0.443 45.516 45.100 -0.045 0.000 0.619 117 G HN 0.646 nan 8.290 nan 0.000 0.513 118 Q N 0.394 120.142 119.800 -0.087 0.000 2.245 118 Q HA 0.171 4.510 4.340 -0.001 0.000 0.201 118 Q C 2.785 178.754 176.000 -0.053 0.000 0.955 118 Q CA 1.081 56.818 55.803 -0.110 0.000 0.870 118 Q CB -0.201 28.505 28.738 -0.053 0.000 0.945 118 Q HN 0.596 nan 8.270 nan 0.000 0.461 119 G N 1.556 110.343 108.800 -0.020 0.000 2.459 119 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 119 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 119 G C 1.385 176.283 174.900 -0.003 0.000 1.183 119 G CA 0.749 45.841 45.100 -0.013 0.000 0.776 119 G HN 0.313 nan 8.290 nan 0.000 0.552 120 I N 1.836 122.416 120.570 0.016 0.000 2.264 120 I HA -0.087 4.082 4.170 -0.001 0.000 0.248 120 I C 2.966 179.104 176.117 0.035 0.000 1.111 120 I CA 1.399 62.732 61.300 0.056 0.000 1.382 120 I CB -0.458 37.597 38.000 0.093 0.000 1.060 120 I HN 0.205 nan 8.210 nan 0.000 0.418 121 A N 0.356 123.160 122.820 -0.026 0.000 1.883 121 A HA -0.299 4.020 4.320 -0.001 0.000 0.217 121 A C 2.149 179.721 177.584 -0.019 0.000 1.186 121 A CA 2.442 54.448 52.037 -0.052 0.000 0.624 121 A CB -1.365 17.551 19.000 -0.140 0.000 0.822 121 A HN 0.672 nan 8.150 nan 0.000 0.444 122 N N 0.131 118.822 118.700 -0.014 0.000 2.104 122 N HA -0.114 4.626 4.740 -0.001 0.000 0.190 122 N C 1.979 177.501 175.510 0.020 0.000 1.024 122 N CA 1.104 54.158 53.050 0.007 0.000 0.853 122 N CB -0.293 38.200 38.487 0.009 0.000 1.008 122 N HN 0.520 nan 8.380 nan 0.000 0.424 123 A N 1.009 123.843 122.820 0.023 0.000 1.902 123 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 123 A C 2.449 180.052 177.584 0.032 0.000 1.181 123 A CA 1.215 53.274 52.037 0.037 0.000 0.623 123 A CB -0.874 18.160 19.000 0.057 0.000 0.818 123 A HN 0.108 nan 8.150 nan 0.000 0.443 124 V N 0.001 119.938 119.914 0.039 0.000 2.332 124 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 124 V C 2.813 178.891 176.094 -0.028 0.000 1.055 124 V CA 2.084 64.393 62.300 0.014 0.000 1.038 124 V CB -1.493 30.352 31.823 0.036 0.000 0.651 124 V HN 0.633 nan 8.190 nan 0.000 0.450 125 G N -0.804 107.988 108.800 -0.014 0.000 2.418 125 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.217 125 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.217 125 G C 1.616 176.487 174.900 -0.050 0.000 1.158 125 G CA 1.177 46.258 45.100 -0.031 0.000 0.771 125 G HN 0.454 nan 8.290 nan 0.000 0.545 126 M N 0.730 120.336 119.600 0.009 0.000 2.175 126 M HA 0.058 4.537 4.480 -0.001 0.000 0.264 126 M C 2.974 179.251 176.300 -0.038 0.000 1.063 126 M CA 1.308 56.647 55.300 0.066 0.000 1.119 126 M CB -0.109 32.586 32.600 0.159 0.000 1.377 126 M HN 0.311 nan 8.290 nan 0.000 0.415 127 A N 0.464 123.245 122.820 -0.066 0.000 1.897 127 A HA -0.068 4.252 4.320 -0.001 0.000 0.215 127 A C 2.070 179.541 177.584 -0.190 0.000 1.181 127 A CA 1.164 53.122 52.037 -0.131 0.000 0.620 127 A CB -0.761 18.160 19.000 -0.131 0.000 0.821 127 A HN 0.423 nan 8.150 nan 0.000 0.443 128 I N -0.090 120.369 120.570 -0.186 0.000 2.208 128 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 128 I C 2.971 178.907 176.117 -0.302 0.000 1.097 128 I CA 1.112 62.272 61.300 -0.233 0.000 1.363 128 I CB -0.294 37.565 38.000 -0.235 0.000 1.051 128 I HN 0.367 nan 8.210 nan 0.000 0.413 129 A N 0.082 122.692 122.820 -0.349 0.000 1.877 129 A HA -0.252 4.068 4.320 -0.001 0.000 0.216 129 A C 2.367 179.787 177.584 -0.275 0.000 1.186 129 A CA 1.766 53.563 52.037 -0.400 0.000 0.620 129 A CB -0.578 18.146 19.000 -0.460 0.000 0.822 129 A HN 0.431 nan 8.150 nan 0.000 0.443 130 E N 0.262 120.217 120.200 -0.408 0.000 2.077 130 E HA -0.232 4.117 4.350 -0.001 0.000 0.193 130 E C 2.063 178.557 176.600 -0.177 0.000 0.989 130 E CA 1.650 57.873 56.400 -0.294 0.000 0.800 130 E CB -0.240 29.212 29.700 -0.412 0.000 0.746 130 E HN 0.656 nan 8.360 nan 0.000 0.452 131 K N -0.325 119.964 120.400 -0.183 0.000 2.057 131 K HA -0.095 4.224 4.320 -0.001 0.000 0.207 131 K C 2.061 178.630 176.600 -0.051 0.000 1.049 131 K CA 1.766 57.970 56.287 -0.139 0.000 0.931 131 K CB -0.039 32.364 32.500 -0.161 0.000 0.714 131 K HN 0.056 nan 8.250 nan 0.000 0.440 132 T N 1.721 116.259 114.554 -0.026 0.000 2.812 132 T HA -0.117 4.232 4.350 -0.001 0.000 0.264 132 T C 1.708 176.589 174.700 0.301 0.000 1.042 132 T CA 0.919 63.069 62.100 0.083 0.000 1.140 132 T CB -0.161 68.675 68.868 -0.054 0.000 0.870 132 T HN 0.097 nan 8.240 nan 0.000 0.445 133 L N 1.349 122.835 121.223 0.439 0.000 2.046 133 L HA 0.049 4.388 4.340 -0.001 0.000 0.208 133 L C 2.650 179.744 176.870 0.374 0.000 1.077 133 L CA 1.640 56.761 54.840 0.469 0.000 0.747 133 L CB -0.966 41.318 42.059 0.374 0.000 0.896 133 L HN 0.245 nan 8.230 nan 0.000 0.432 134 A N -0.765 122.168 122.820 0.188 0.000 1.877 134 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 134 A C 2.450 180.091 177.584 0.095 0.000 1.186 134 A CA 1.909 54.010 52.037 0.106 0.000 0.620 134 A CB -1.174 17.824 19.000 -0.004 0.000 0.822 134 A HN 0.507 nan 8.150 nan 0.000 0.443 135 A N -0.876 121.986 122.820 0.070 0.000 1.933 135 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 135 A C 2.143 179.744 177.584 0.029 0.000 1.175 135 A CA 1.726 53.784 52.037 0.035 0.000 0.628 135 A CB -0.551 18.460 19.000 0.018 0.000 0.814 135 A HN 0.676 nan 8.150 nan 0.000 0.444 136 Q N -2.084 117.756 119.800 0.066 0.000 2.083 136 Q HA -0.066 4.273 4.340 -0.001 0.000 0.198 136 Q C 1.558 177.411 176.000 -0.246 0.000 0.969 136 Q CA 1.539 57.287 55.803 -0.091 0.000 0.838 136 Q CB -0.130 28.553 28.738 -0.092 0.000 0.900 136 Q HN 0.759 nan 8.270 nan 0.000 0.436 137 F N 0.041 120.034 119.950 0.072 0.000 2.559 137 F HA 0.117 4.643 4.527 -0.001 0.000 0.286 137 F C 0.588 176.357 175.800 -0.053 0.000 1.108 137 F CA -0.495 57.537 58.000 0.053 0.000 1.436 137 F CB 0.212 39.264 39.000 0.087 0.000 1.130 137 F HN -0.111 nan 8.300 nan 0.000 0.584 138 N N 2.045 120.795 118.700 0.085 0.000 2.454 138 N HA 0.098 4.837 4.740 -0.001 0.000 0.254 138 N C -0.086 175.421 175.510 -0.005 0.000 1.228 138 N CA 0.386 53.440 53.050 0.006 0.000 0.900 138 N CB 0.388 38.883 38.487 0.013 0.000 1.089 138 N HN -0.019 nan 8.380 nan 0.000 0.449 139 R N 1.311 121.824 120.500 0.023 0.000 2.837 139 R HA 0.502 4.841 4.340 -0.001 0.000 0.271 139 R C -2.604 173.775 176.300 0.132 0.000 0.993 139 R CA -1.953 54.140 56.100 -0.012 0.000 0.931 139 R CB 0.617 30.705 30.300 -0.355 0.000 1.206 139 R HN 0.317 nan 8.270 nan 0.000 0.474 140 P HA 0.047 nan 4.420 nan 0.000 0.263 140 P C 0.619 178.012 177.300 0.157 0.000 1.195 140 P CA 1.031 64.206 63.100 0.125 0.000 0.762 140 P CB 0.311 32.079 31.700 0.113 0.000 0.799 141 G N 2.319 111.141 108.800 0.037 0.000 2.184 141 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.264 141 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.264 141 G C 0.157 174.854 174.900 -0.338 0.000 0.975 141 G CA -0.249 44.774 45.100 -0.128 0.000 0.642 141 G HN 0.730 nan 8.290 nan 0.000 0.536 142 H N 0.402 119.523 119.070 0.086 0.000 2.490 142 H HA 0.264 4.820 4.556 -0.001 0.000 0.230 142 H C -1.178 174.139 175.328 -0.018 0.000 1.417 142 H CA -0.657 55.441 56.048 0.084 0.000 1.449 142 H CB 0.689 30.617 29.762 0.278 0.000 1.649 142 H HN 0.142 nan 8.280 nan 0.000 0.519 143 D N 2.628 123.060 120.400 0.053 0.000 2.563 143 D HA 0.079 4.719 4.640 -0.001 0.000 0.222 143 D C 1.852 178.173 176.300 0.035 0.000 1.145 143 D CA -0.210 53.807 54.000 0.028 0.000 1.001 143 D CB 0.118 40.942 40.800 0.041 0.000 1.049 143 D HN 0.611 nan 8.370 nan 0.000 0.515 144 I N -2.044 118.478 120.570 -0.080 0.000 2.928 144 I HA 0.004 4.174 4.170 -0.001 0.000 0.266 144 I C 0.181 176.443 176.117 0.242 0.000 1.234 144 I CA 0.376 61.664 61.300 -0.020 0.000 1.483 144 I CB 0.169 37.890 38.000 -0.465 0.000 1.097 144 I HN -0.183 nan 8.210 nan 0.000 0.455 145 V N 2.623 122.599 119.914 0.102 0.000 2.357 145 V HA 0.475 4.594 4.120 -0.001 0.000 0.284 145 V C -1.109 175.008 176.094 0.039 0.000 1.018 145 V CA -0.281 62.100 62.300 0.135 0.000 0.841 145 V CB 1.138 33.040 31.823 0.131 0.000 0.991 145 V HN 0.291 nan 8.190 nan 0.000 0.437 146 D N 3.998 124.416 120.400 0.029 0.000 2.491 146 D HA 0.235 4.874 4.640 -0.001 0.000 0.232 146 D C -0.856 175.439 176.300 -0.008 0.000 1.334 146 D CA -0.260 53.715 54.000 -0.040 0.000 0.909 146 D CB 0.500 41.337 40.800 0.061 0.000 1.513 146 D HN 0.820 nan 8.370 nan 0.000 0.514 147 H N 0.225 119.235 119.070 -0.101 0.000 3.016 147 H HA 0.411 4.966 4.556 -0.001 0.000 0.362 147 H C -1.200 174.012 175.328 -0.194 0.000 1.233 147 H CA -0.713 55.282 56.048 -0.090 0.000 1.124 147 H CB 0.580 30.252 29.762 -0.150 0.000 1.850 147 H HN 0.024 nan 8.280 nan 0.000 0.549 148 Y N 0.459 120.757 120.300 -0.003 0.000 2.374 148 Y HA 0.332 4.881 4.550 -0.001 0.000 0.322 148 Y C 0.629 176.397 175.900 -0.220 0.000 1.275 148 Y CA 0.048 58.004 58.100 -0.239 0.000 1.307 148 Y CB 1.783 39.918 38.460 -0.540 0.000 1.282 148 Y HN 0.576 nan 8.280 nan 0.000 0.509 149 T N 2.397 116.847 114.554 -0.173 0.000 2.815 149 T HA 0.385 4.735 4.350 -0.001 0.000 0.289 149 T C -1.500 173.127 174.700 -0.122 0.000 1.000 149 T CA -0.649 61.407 62.100 -0.072 0.000 0.958 149 T CB -0.164 68.697 68.868 -0.013 0.000 0.944 149 T HN 0.232 nan 8.240 nan 0.000 0.442 150 Y N 1.571 122.003 120.300 0.220 0.000 2.341 150 Y HA 0.678 5.227 4.550 -0.001 0.000 0.337 150 Y C 0.304 176.306 175.900 0.169 0.000 1.014 150 Y CA -1.037 57.252 58.100 0.314 0.000 1.111 150 Y CB 1.550 40.268 38.460 0.431 0.000 1.194 150 Y HN 0.770 nan 8.280 nan 0.000 0.462 151 A N 3.445 126.525 122.820 0.435 0.000 2.393 151 A HA 0.797 5.117 4.320 -0.001 0.000 0.306 151 A C -1.749 176.172 177.584 0.561 0.000 1.050 151 A CA -0.581 51.584 52.037 0.214 0.000 0.724 151 A CB 0.789 19.899 19.000 0.183 0.000 1.248 151 A HN 0.473 nan 8.150 nan 0.000 0.424 152 F N 2.070 122.056 119.950 0.060 0.000 2.404 152 F HA 0.739 5.265 4.527 -0.001 0.000 0.339 152 F C 0.572 176.431 175.800 0.098 0.000 1.105 152 F CA -1.078 57.010 58.000 0.146 0.000 1.087 152 F CB 1.591 40.651 39.000 0.100 0.000 1.143 152 F HN 0.707 nan 8.300 nan 0.000 0.491 153 M N 1.362 121.148 119.600 0.311 0.000 2.578 153 M HA 0.857 5.336 4.480 -0.001 0.000 0.276 153 M C -0.831 175.636 176.300 0.279 0.000 1.245 153 M CA -0.710 54.728 55.300 0.231 0.000 0.871 153 M CB 2.166 34.877 32.600 0.184 0.000 1.722 153 M HN 0.543 nan 8.290 nan 0.000 0.473 154 G N 0.035 108.998 108.800 0.272 0.000 3.075 154 G HA2 0.430 4.389 3.960 -0.001 0.000 0.253 154 G HA3 0.430 4.389 3.960 -0.001 0.000 0.253 154 G C -0.290 174.844 174.900 0.390 0.000 1.353 154 G CA -0.425 44.878 45.100 0.340 0.000 1.051 154 G HN 0.825 nan 8.290 nan 0.000 0.553 155 D N -0.094 120.545 120.400 0.397 0.000 2.149 155 D HA -0.123 4.516 4.640 -0.001 0.000 0.198 155 D C 2.428 178.718 176.300 -0.017 0.000 0.990 155 D CA 1.627 55.793 54.000 0.276 0.000 0.839 155 D CB -0.326 40.655 40.800 0.303 0.000 0.948 155 D HN 0.417 nan 8.370 nan 0.000 0.460 156 G N 0.756 109.591 108.800 0.059 0.000 2.421 156 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.216 156 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.216 156 G C 1.975 176.868 174.900 -0.012 0.000 1.171 156 G CA 0.975 46.077 45.100 0.003 0.000 0.775 156 G HN 0.313 nan 8.290 nan 0.000 0.543 157 C N 0.603 119.931 119.300 0.048 0.000 2.429 157 C HA 0.004 4.464 4.460 -0.001 0.000 0.277 157 C C 2.983 177.966 174.990 -0.011 0.000 1.262 157 C CA 0.851 59.888 59.018 0.031 0.000 1.733 157 C CB -0.676 27.106 27.740 0.070 0.000 2.010 157 C HN 0.369 nan 8.230 nan 0.000 0.483 158 M N -0.073 119.499 119.600 -0.046 0.000 2.159 158 M HA -0.119 4.361 4.480 -0.001 0.000 0.263 158 M C 2.100 178.318 176.300 -0.135 0.000 1.063 158 M CA 1.677 56.934 55.300 -0.072 0.000 1.110 158 M CB -0.999 31.537 32.600 -0.106 0.000 1.374 158 M HN 0.448 nan 8.290 nan 0.000 0.411 159 M N -0.575 118.828 119.600 -0.328 0.000 2.254 159 M HA -0.076 4.403 4.480 -0.001 0.000 0.265 159 M C 0.468 176.707 176.300 -0.101 0.000 1.066 159 M CA 0.648 55.753 55.300 -0.324 0.000 1.123 159 M CB -0.123 32.231 32.600 -0.410 0.000 1.388 159 M HN 0.032 nan 8.290 nan 0.000 0.425 160 E N 0.552 120.716 120.200 -0.060 0.000 2.414 160 E HA -0.022 4.327 4.350 -0.001 0.000 0.263 160 E C 1.095 177.714 176.600 0.031 0.000 1.000 160 E CA 0.257 56.657 56.400 0.000 0.000 0.914 160 E CB 0.737 30.444 29.700 0.010 0.000 0.948 160 E HN 0.338 nan 8.360 nan 0.000 0.444 161 G N 3.729 112.568 108.800 0.065 0.000 2.442 161 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.219 161 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.219 161 G C 1.450 176.404 174.900 0.090 0.000 1.141 161 G CA 0.382 45.543 45.100 0.102 0.000 0.763 161 G HN 0.628 nan 8.290 nan 0.000 0.554 162 I N 1.608 122.189 120.570 0.017 0.000 2.454 162 I HA -0.225 3.944 4.170 -0.001 0.000 0.254 162 I C 3.050 179.092 176.117 -0.125 0.000 1.156 162 I CA 1.690 62.897 61.300 -0.154 0.000 1.433 162 I CB -0.058 37.599 38.000 -0.571 0.000 1.082 162 I HN 0.351 nan 8.210 nan 0.000 0.432 163 S N -0.347 115.321 115.700 -0.054 0.000 2.368 163 S HA -0.343 4.126 4.470 -0.001 0.000 0.225 163 S C 2.061 176.610 174.600 -0.085 0.000 1.030 163 S CA 1.603 59.785 58.200 -0.030 0.000 0.999 163 S CB -0.818 62.410 63.200 0.047 0.000 0.844 163 S HN 0.718 nan 8.310 nan 0.000 0.459 164 H N 1.847 120.851 119.070 -0.110 0.000 2.321 164 H HA 0.007 4.562 4.556 -0.001 0.000 0.300 164 H C 1.992 177.147 175.328 -0.289 0.000 1.087 164 H CA 2.206 58.151 56.048 -0.171 0.000 1.319 164 H CB -0.508 29.247 29.762 -0.011 0.000 1.379 164 H HN 0.605 nan 8.280 nan 0.000 0.501 165 E N -0.289 119.704 120.200 -0.345 0.000 2.031 165 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 165 E C 2.438 178.840 176.600 -0.330 0.000 0.994 165 E CA 1.920 58.106 56.400 -0.356 0.000 0.800 165 E CB -0.076 29.543 29.700 -0.134 0.000 0.752 165 E HN 0.546 nan 8.360 nan 0.000 0.447 166 V N -1.229 118.542 119.914 -0.238 0.000 2.649 166 V HA -0.105 4.015 4.120 -0.001 0.000 0.248 166 V C 2.198 178.215 176.094 -0.128 0.000 1.054 166 V CA 1.014 63.228 62.300 -0.142 0.000 1.073 166 V CB -0.581 31.197 31.823 -0.076 0.000 0.699 166 V HN 0.281 nan 8.190 nan 0.000 0.463 167 C N 0.486 119.629 119.300 -0.261 0.000 2.457 167 C HA -0.030 4.429 4.460 -0.001 0.000 0.278 167 C C 3.255 177.954 174.990 -0.486 0.000 1.309 167 C CA 1.400 60.276 59.018 -0.236 0.000 1.735 167 C CB -0.775 26.604 27.740 -0.602 0.000 1.992 167 C HN 0.735 nan 8.230 nan 0.000 0.493 168 S N 0.866 115.943 115.700 -1.038 0.000 2.353 168 S HA -0.194 4.276 4.470 -0.001 0.000 0.222 168 S C 1.806 176.244 174.600 -0.269 0.000 1.035 168 S CA 1.788 59.514 58.200 -0.790 0.000 1.025 168 S CB -0.397 62.338 63.200 -0.775 0.000 0.902 168 S HN 0.479 nan 8.310 nan 0.000 0.440 169 L N 1.770 122.858 121.223 -0.226 0.000 2.093 169 L HA 0.196 4.535 4.340 -0.001 0.000 0.208 169 L C 2.505 179.330 176.870 -0.075 0.000 1.085 169 L CA 1.963 56.731 54.840 -0.120 0.000 0.755 169 L CB -1.273 40.727 42.059 -0.099 0.000 0.904 169 L HN 0.350 nan 8.230 nan 0.000 0.435 170 A N -0.552 122.254 122.820 -0.022 0.000 1.940 170 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 170 A C 2.329 179.859 177.584 -0.090 0.000 1.176 170 A CA 1.610 53.630 52.037 -0.028 0.000 0.631 170 A CB -1.510 17.551 19.000 0.101 0.000 0.814 170 A HN 0.524 nan 8.150 nan 0.000 0.446 171 G N -1.190 107.644 108.800 0.057 0.000 2.404 171 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.215 171 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.215 171 G C 1.577 176.469 174.900 -0.014 0.000 1.174 171 G CA 1.582 46.709 45.100 0.045 0.000 0.780 171 G HN 0.417 nan 8.290 nan 0.000 0.537 172 T N 1.422 115.967 114.554 -0.015 0.000 2.720 172 T HA -0.056 4.293 4.350 -0.001 0.000 0.268 172 T C 2.175 176.837 174.700 -0.063 0.000 1.037 172 T CA 0.848 62.927 62.100 -0.034 0.000 1.144 172 T CB -0.193 68.649 68.868 -0.044 0.000 0.864 172 T HN 0.135 nan 8.240 nan 0.000 0.444 173 L N 0.266 121.434 121.223 -0.091 0.000 2.599 173 L HA 0.190 4.530 4.340 -0.001 0.000 0.230 173 L C 0.516 177.309 176.870 -0.129 0.000 1.141 173 L CA 0.173 54.945 54.840 -0.113 0.000 0.877 173 L CB -0.378 41.599 42.059 -0.137 0.000 1.009 173 L HN 0.243 nan 8.230 nan 0.000 0.447 174 K N 0.983 121.303 120.400 -0.133 0.000 3.257 174 K HA -0.176 4.143 4.320 -0.001 0.000 0.270 174 K C -0.205 176.283 176.600 -0.187 0.000 0.984 174 K CA 0.281 56.480 56.287 -0.147 0.000 0.739 174 K CB -1.672 30.766 32.500 -0.103 0.000 1.351 174 K HN 0.341 nan 8.250 nan 0.000 0.463 175 L N 0.716 121.792 121.223 -0.245 0.000 2.382 175 L HA 0.035 4.375 4.340 -0.001 0.000 0.259 175 L C 1.922 178.622 176.870 -0.284 0.000 1.291 175 L CA 0.197 54.880 54.840 -0.260 0.000 1.176 175 L CB -0.039 41.862 42.059 -0.265 0.000 1.373 175 L HN 0.477 nan 8.230 nan 0.000 0.426 176 G N 1.231 109.893 108.800 -0.231 0.000 2.498 176 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.219 176 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.219 176 G C 1.428 176.210 174.900 -0.198 0.000 1.119 176 G CA 0.285 45.268 45.100 -0.195 0.000 0.766 176 G HN 0.503 nan 8.290 nan 0.000 0.552 177 K N -0.808 119.411 120.400 -0.301 0.000 2.358 177 K HA 0.250 4.569 4.320 -0.001 0.000 0.197 177 K C -0.185 176.266 176.600 -0.249 0.000 1.025 177 K CA -0.547 55.462 56.287 -0.464 0.000 1.104 177 K CB 0.490 32.521 32.500 -0.783 0.000 0.855 177 K HN 0.217 nan 8.250 nan 0.000 0.531 178 L N 1.838 122.939 121.223 -0.204 0.000 2.265 178 L HA 0.370 4.709 4.340 -0.001 0.000 0.288 178 L C -0.867 175.953 176.870 -0.085 0.000 1.058 178 L CA -0.107 54.644 54.840 -0.148 0.000 0.809 178 L CB 0.450 42.389 42.059 -0.201 0.000 1.179 178 L HN -0.006 nan 8.230 nan 0.000 0.429 179 I N 5.603 126.190 120.570 0.027 0.000 2.439 179 I HA 0.606 4.776 4.170 -0.001 0.000 0.285 179 I C -0.383 175.867 176.117 0.220 0.000 1.021 179 I CA -0.558 60.799 61.300 0.096 0.000 1.091 179 I CB 1.782 39.855 38.000 0.121 0.000 1.242 179 I HN 0.771 nan 8.210 nan 0.000 0.439 180 A N 6.386 129.335 122.820 0.216 0.000 2.337 180 A HA 0.851 5.170 4.320 -0.001 0.000 0.329 180 A C -1.222 176.428 177.584 0.110 0.000 1.146 180 A CA -0.308 51.918 52.037 0.315 0.000 0.800 180 A CB 0.644 19.877 19.000 0.390 0.000 1.220 180 A HN 0.506 nan 8.150 nan 0.000 0.472 181 F N 1.646 121.768 119.950 0.286 0.000 2.411 181 F HA 0.380 4.907 4.527 -0.001 0.000 0.352 181 F C -0.340 175.520 175.800 0.100 0.000 1.123 181 F CA -0.412 57.670 58.000 0.138 0.000 1.044 181 F CB 1.363 40.381 39.000 0.029 0.000 1.135 181 F HN 0.583 nan 8.300 nan 0.000 0.461 182 Y N 3.406 123.730 120.300 0.041 0.000 2.367 182 Y HA 0.292 4.841 4.550 -0.001 0.000 0.342 182 Y C -0.181 175.701 175.900 -0.030 0.000 0.979 182 Y CA -1.891 56.195 58.100 -0.023 0.000 1.161 182 Y CB 0.574 38.963 38.460 -0.119 0.000 1.155 182 Y HN 0.537 nan 8.280 nan 0.000 0.503 183 D N 4.805 125.127 120.400 -0.131 0.000 2.455 183 D HA 0.018 4.658 4.640 -0.001 0.000 0.234 183 D C -0.884 175.093 176.300 -0.539 0.000 1.224 183 D CA 0.174 54.008 54.000 -0.277 0.000 0.999 183 D CB -0.212 40.523 40.800 -0.108 0.000 1.072 183 D HN 0.495 nan 8.370 nan 0.000 0.514 184 D N 2.541 122.505 120.400 -0.726 0.000 2.517 184 D HA 0.015 4.654 4.640 -0.001 0.000 0.220 184 D C 0.520 176.646 176.300 -0.290 0.000 1.158 184 D CA -0.322 53.213 54.000 -0.774 0.000 0.992 184 D CB -0.222 40.150 40.800 -0.713 0.000 1.058 184 D HN 0.369 nan 8.370 nan 0.000 0.516 185 N N 1.568 120.179 118.700 -0.148 0.000 2.205 185 N HA 0.116 4.855 4.740 -0.001 0.000 0.201 185 N C 1.408 176.939 175.510 0.034 0.000 1.128 185 N CA 0.310 53.347 53.050 -0.022 0.000 0.867 185 N CB 0.339 38.842 38.487 0.027 0.000 0.996 185 N HN 0.260 nan 8.380 nan 0.000 0.503 186 G N -0.025 108.802 108.800 0.045 0.000 2.168 186 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.263 186 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.263 186 G C -0.453 174.496 174.900 0.082 0.000 0.977 186 G CA 0.557 45.701 45.100 0.073 0.000 0.659 186 G HN 0.326 nan 8.290 nan 0.000 0.533 187 I N 1.205 121.830 120.570 0.091 0.000 2.465 187 I HA 0.642 4.812 4.170 -0.001 0.000 0.291 187 I C 0.588 176.796 176.117 0.151 0.000 1.014 187 I CA -0.300 61.048 61.300 0.079 0.000 1.093 187 I CB 1.659 39.689 38.000 0.051 0.000 1.267 187 I HN 0.391 nan 8.210 nan 0.000 0.431 188 S N 5.504 121.330 115.700 0.210 0.000 2.851 188 S HA 0.617 5.087 4.470 -0.001 0.000 0.317 188 S C 1.059 175.677 174.600 0.030 0.000 1.144 188 S CA -0.727 57.556 58.200 0.138 0.000 0.862 188 S CB 1.419 64.783 63.200 0.273 0.000 1.259 188 S HN 0.436 nan 8.310 nan 0.000 0.564 189 I N 1.031 121.506 120.570 -0.158 0.000 2.286 189 I HA -0.130 4.039 4.170 -0.001 0.000 0.248 189 I C 1.316 177.343 176.117 -0.149 0.000 1.115 189 I CA 1.440 62.618 61.300 -0.202 0.000 1.392 189 I CB -0.415 37.427 38.000 -0.263 0.000 1.065 189 I HN 0.592 nan 8.210 nan 0.000 0.418 190 D N 0.526 120.794 120.400 -0.220 0.000 2.348 190 D HA 0.118 4.758 4.640 -0.001 0.000 0.216 190 D C 1.013 177.309 176.300 -0.006 0.000 0.970 190 D CA 1.058 54.858 54.000 -0.333 0.000 0.889 190 D CB 0.269 40.491 40.800 -0.963 0.000 0.912 190 D HN 0.517 nan 8.370 nan 0.000 0.524 191 G N -0.842 108.096 108.800 0.230 0.000 2.250 191 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.196 191 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.196 191 G C -0.929 174.110 174.900 0.232 0.000 1.308 191 G CA -0.902 44.323 45.100 0.208 0.000 1.207 191 G HN 0.133 nan 8.290 nan 0.000 0.505 192 H N 1.814 120.975 119.070 0.152 0.000 2.975 192 H HA 0.212 4.767 4.556 -0.001 0.000 0.303 192 H C 2.111 177.143 175.328 -0.492 0.000 1.023 192 H CA 0.833 56.841 56.048 -0.066 0.000 1.473 192 H CB 1.409 31.129 29.762 -0.069 0.000 1.498 192 H HN 0.826 nan 8.280 nan 0.000 0.549 193 V N 1.890 121.611 119.914 -0.321 0.000 2.867 193 V HA -0.228 3.891 4.120 -0.001 0.000 0.260 193 V C 1.835 177.370 176.094 -0.931 0.000 1.099 193 V CA 1.770 63.629 62.300 -0.735 0.000 1.122 193 V CB -0.640 31.151 31.823 -0.054 0.000 0.708 193 V HN 0.795 nan 8.190 nan 0.000 0.490 194 E N 2.024 121.908 120.200 -0.526 0.000 2.267 194 E HA -0.121 4.229 4.350 -0.001 0.000 0.197 194 E C 2.090 178.463 176.600 -0.377 0.000 0.998 194 E CA 1.540 57.722 56.400 -0.363 0.000 0.830 194 E CB -0.881 28.690 29.700 -0.216 0.000 0.751 194 E HN 0.575 nan 8.360 nan 0.000 0.491 195 G N 0.492 108.936 108.800 -0.593 0.000 2.509 195 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.218 195 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.218 195 G C 0.783 175.743 174.900 0.099 0.000 1.124 195 G CA 0.681 45.664 45.100 -0.195 0.000 0.776 195 G HN 0.687 nan 8.290 nan 0.000 0.547 196 W N -3.751 117.609 121.300 0.101 0.000 1.807 196 W HA 0.629 5.288 4.660 -0.001 0.000 0.251 196 W C -0.589 176.061 176.519 0.219 0.000 0.848 196 W CA -1.229 56.184 57.345 0.114 0.000 1.157 196 W CB 0.370 29.876 29.460 0.076 0.000 0.992 196 W HN -0.094 nan 8.180 nan 0.000 0.506 197 F N 3.682 123.543 119.950 -0.148 0.000 2.831 197 F HA 0.510 5.036 4.527 -0.001 0.000 0.346 197 F C 0.129 175.874 175.800 -0.092 0.000 1.224 197 F CA -1.242 56.728 58.000 -0.049 0.000 1.048 197 F CB 1.115 40.118 39.000 0.005 0.000 1.339 197 F HN 0.045 nan 8.300 nan 0.000 0.514 198 T N -0.209 114.198 114.554 -0.244 0.000 3.170 198 T HA 0.230 4.580 4.350 -0.001 0.000 0.288 198 T C -0.229 174.278 174.700 -0.323 0.000 0.992 198 T CA -0.351 61.569 62.100 -0.300 0.000 0.909 198 T CB -0.359 68.422 68.868 -0.144 0.000 1.133 198 T HN 0.262 nan 8.240 nan 0.000 0.530 199 D N 3.169 123.312 120.400 -0.428 0.000 2.506 199 D HA 0.098 4.737 4.640 -0.001 0.000 0.234 199 D C 0.062 176.213 176.300 -0.249 0.000 1.143 199 D CA 0.416 54.265 54.000 -0.251 0.000 0.871 199 D CB 0.454 41.172 40.800 -0.137 0.000 1.190 199 D HN 0.232 nan 8.370 nan 0.000 0.459 200 D N 1.450 121.764 120.400 -0.144 0.000 2.470 200 D HA 0.016 4.655 4.640 -0.001 0.000 0.226 200 D C 0.605 176.855 176.300 -0.083 0.000 1.196 200 D CA -0.025 53.910 54.000 -0.109 0.000 0.979 200 D CB 0.177 40.929 40.800 -0.080 0.000 1.059 200 D HN 0.132 nan 8.370 nan 0.000 0.515 201 T N 1.842 116.344 114.554 -0.087 0.000 2.788 201 T HA -0.132 4.217 4.350 -0.001 0.000 0.268 201 T C 1.844 176.543 174.700 -0.003 0.000 1.044 201 T CA 1.408 63.485 62.100 -0.039 0.000 1.139 201 T CB 0.075 68.873 68.868 -0.116 0.000 0.867 201 T HN 0.521 nan 8.240 nan 0.000 0.454 202 A N 1.486 124.288 122.820 -0.031 0.000 1.877 202 A HA -0.080 4.239 4.320 -0.001 0.000 0.216 202 A C 2.312 179.897 177.584 0.003 0.000 1.186 202 A CA 1.849 53.876 52.037 -0.018 0.000 0.620 202 A CB -0.742 18.243 19.000 -0.025 0.000 0.822 202 A HN 0.512 nan 8.150 nan 0.000 0.443 203 M N -0.816 118.767 119.600 -0.028 0.000 2.117 203 M HA -0.191 4.288 4.480 -0.001 0.000 0.262 203 M C 2.358 178.595 176.300 -0.104 0.000 1.065 203 M CA 2.127 57.398 55.300 -0.049 0.000 1.114 203 M CB -0.227 32.339 32.600 -0.056 0.000 1.361 203 M HN 0.520 nan 8.290 nan 0.000 0.408 204 R N -0.355 120.067 120.500 -0.130 0.000 2.096 204 R HA -0.202 4.138 4.340 -0.001 0.000 0.240 204 R C 1.814 177.748 176.300 -0.610 0.000 1.139 204 R CA 2.238 58.140 56.100 -0.330 0.000 0.952 204 R CB -0.512 29.662 30.300 -0.210 0.000 0.854 204 R HN 0.373 nan 8.270 nan 0.000 0.436 205 F N 1.213 120.894 119.950 -0.449 0.000 2.259 205 F HA -0.025 4.502 4.527 -0.001 0.000 0.298 205 F C 2.263 177.996 175.800 -0.112 0.000 1.088 205 F CA 1.258 59.028 58.000 -0.383 0.000 1.358 205 F CB -0.197 38.594 39.000 -0.347 0.000 1.040 205 F HN 0.138 nan 8.300 nan 0.000 0.505 206 E N -0.037 120.209 120.200 0.077 0.000 2.110 206 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 206 E C 2.377 178.999 176.600 0.038 0.000 0.988 206 E CA 0.979 57.435 56.400 0.094 0.000 0.804 206 E CB -0.322 29.413 29.700 0.059 0.000 0.745 206 E HN 0.363 nan 8.360 nan 0.000 0.458 207 A N 0.619 123.375 122.820 -0.106 0.000 2.019 207 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 207 A C 1.368 178.957 177.584 0.008 0.000 1.164 207 A CA 1.082 53.053 52.037 -0.110 0.000 0.644 207 A CB -0.505 18.361 19.000 -0.223 0.000 0.805 207 A HN 0.250 nan 8.150 nan 0.000 0.449 208 Y N -0.664 119.640 120.300 0.006 0.000 2.529 208 Y HA 0.321 4.871 4.550 -0.001 0.000 0.290 208 Y C 1.885 177.924 175.900 0.231 0.000 1.177 208 Y CA -0.297 57.840 58.100 0.062 0.000 1.305 208 Y CB -0.817 37.591 38.460 -0.085 0.000 1.047 208 Y HN 0.437 nan 8.280 nan 0.000 0.522 209 G N -1.508 107.496 108.800 0.339 0.000 2.147 209 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.244 209 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.244 209 G C -0.258 174.847 174.900 0.343 0.000 1.005 209 G CA -0.244 45.017 45.100 0.268 0.000 0.713 209 G HN 0.222 nan 8.290 nan 0.000 0.515 210 W N 0.316 121.715 121.300 0.165 0.000 2.303 210 W HA 0.580 5.240 4.660 -0.001 0.000 0.334 210 W C 0.942 177.568 176.519 0.178 0.000 1.197 210 W CA -0.830 56.634 57.345 0.197 0.000 1.262 210 W CB 0.445 30.095 29.460 0.317 0.000 1.153 210 W HN 0.238 nan 8.180 nan 0.000 0.596 211 H N 2.125 121.354 119.070 0.265 0.000 2.742 211 H HA 0.402 4.957 4.556 -0.001 0.000 0.302 211 H C -1.117 174.339 175.328 0.213 0.000 1.069 211 H CA -0.056 56.095 56.048 0.171 0.000 1.446 211 H CB 0.682 30.490 29.762 0.076 0.000 1.462 211 H HN 0.144 nan 8.280 nan 0.000 0.499 212 V N 7.942 127.716 119.914 -0.234 0.000 2.495 212 V HA 0.255 4.374 4.120 -0.001 0.000 0.298 212 V C 0.285 176.174 176.094 -0.341 0.000 1.031 212 V CA -0.764 61.409 62.300 -0.211 0.000 0.871 212 V CB 1.704 33.508 31.823 -0.031 0.000 0.988 212 V HN 0.666 nan 8.190 nan 0.000 0.432 213 I N 5.065 125.465 120.570 -0.284 0.000 2.328 213 I HA 0.484 4.654 4.170 -0.001 0.000 0.287 213 I C 0.400 176.461 176.117 -0.093 0.000 1.012 213 I CA -0.404 60.790 61.300 -0.176 0.000 1.195 213 I CB 1.042 38.958 38.000 -0.140 0.000 1.350 213 I HN 0.516 nan 8.210 nan 0.000 0.464 214 R N 4.464 124.926 120.500 -0.062 0.000 2.528 214 R HA 0.268 4.607 4.340 -0.001 0.000 0.271 214 R C -0.336 175.945 176.300 -0.032 0.000 1.056 214 R CA -0.560 55.516 56.100 -0.041 0.000 1.117 214 R CB 0.465 30.747 30.300 -0.030 0.000 1.085 214 R HN 0.544 nan 8.270 nan 0.000 0.530 215 D N 0.688 121.069 120.400 -0.032 0.000 2.746 215 D HA -0.174 4.466 4.640 -0.001 0.000 0.236 215 D C -0.658 175.625 176.300 -0.027 0.000 1.129 215 D CA 0.928 54.911 54.000 -0.028 0.000 0.691 215 D CB -1.225 39.564 40.800 -0.018 0.000 1.077 215 D HN 0.390 nan 8.370 nan 0.000 0.432 216 I N 0.694 121.241 120.570 -0.037 0.000 2.416 216 I HA 0.033 4.202 4.170 -0.001 0.000 0.288 216 I C 1.037 177.122 176.117 -0.053 0.000 1.051 216 I CA -0.300 60.980 61.300 -0.035 0.000 1.375 216 I CB 0.702 38.683 38.000 -0.031 0.000 1.407 216 I HN -0.160 nan 8.210 nan 0.000 0.516 217 D N 5.814 126.192 120.400 -0.037 0.000 2.359 217 D HA 0.070 4.709 4.640 -0.001 0.000 0.250 217 D C 1.220 177.455 176.300 -0.108 0.000 1.264 217 D CA -0.093 53.880 54.000 -0.046 0.000 0.911 217 D CB 1.249 42.049 40.800 -0.000 0.000 1.056 217 D HN 0.710 nan 8.370 nan 0.000 0.499 218 G N 2.923 111.586 108.800 -0.229 0.000 2.708 218 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.210 218 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.210 218 G C 0.886 175.439 174.900 -0.578 0.000 1.141 218 G CA 0.278 45.145 45.100 -0.388 0.000 0.788 218 G HN 0.606 nan 8.290 nan 0.000 0.531 219 H N -0.601 118.386 119.070 -0.140 0.000 2.528 219 H HA 0.196 4.752 4.556 -0.001 0.000 0.282 219 H C -0.727 174.522 175.328 -0.130 0.000 1.097 219 H CA -0.366 55.543 56.048 -0.232 0.000 1.121 219 H CB 0.925 30.497 29.762 -0.318 0.000 1.590 219 H HN 0.346 nan 8.280 nan 0.000 0.553 220 D N 0.033 120.426 120.400 -0.012 0.000 2.505 220 D HA 0.409 5.049 4.640 -0.001 0.000 0.250 220 D C 1.112 177.416 176.300 0.006 0.000 1.164 220 D CA -0.346 53.661 54.000 0.011 0.000 0.870 220 D CB 1.196 42.010 40.800 0.023 0.000 1.160 220 D HN 0.081 nan 8.370 nan 0.000 0.549 221 A N 3.674 126.500 122.820 0.010 0.000 1.892 221 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 221 A C 2.186 179.796 177.584 0.043 0.000 1.188 221 A CA 2.135 54.186 52.037 0.022 0.000 0.631 221 A CB -0.869 18.138 19.000 0.013 0.000 0.822 221 A HN 0.674 nan 8.150 nan 0.000 0.447 222 A N -0.695 122.147 122.820 0.037 0.000 1.908 222 A HA -0.096 4.224 4.320 -0.001 0.000 0.218 222 A C 2.465 180.079 177.584 0.051 0.000 1.181 222 A CA 2.213 54.277 52.037 0.045 0.000 0.627 222 A CB -0.939 18.082 19.000 0.035 0.000 0.818 222 A HN 0.491 nan 8.150 nan 0.000 0.445 223 S N -0.105 115.617 115.700 0.038 0.000 2.356 223 S HA -0.131 4.338 4.470 -0.001 0.000 0.223 223 S C 1.821 176.448 174.600 0.044 0.000 1.032 223 S CA 1.588 59.807 58.200 0.033 0.000 1.005 223 S CB -0.534 62.676 63.200 0.016 0.000 0.867 223 S HN 0.543 nan 8.310 nan 0.000 0.449 224 I N 1.499 122.099 120.570 0.050 0.000 2.179 224 I HA -0.213 3.957 4.170 -0.001 0.000 0.242 224 I C 2.517 178.705 176.117 0.118 0.000 1.088 224 I CA 1.292 62.642 61.300 0.083 0.000 1.357 224 I CB -0.300 37.748 38.000 0.080 0.000 1.051 224 I HN 0.221 nan 8.210 nan 0.000 0.409 225 K N 1.118 121.606 120.400 0.145 0.000 2.032 225 K HA -0.232 4.087 4.320 -0.001 0.000 0.209 225 K C 2.454 179.160 176.600 0.176 0.000 1.048 225 K CA 1.417 57.846 56.287 0.237 0.000 0.927 225 K CB -0.137 32.500 32.500 0.230 0.000 0.712 225 K HN 0.100 nan 8.250 nan 0.000 0.441 226 R N 0.152 120.722 120.500 0.116 0.000 2.091 226 R HA -0.158 4.182 4.340 -0.001 0.000 0.238 226 R C 2.116 178.452 176.300 0.061 0.000 1.136 226 R CA 1.570 57.723 56.100 0.088 0.000 0.959 226 R CB -0.355 29.984 30.300 0.066 0.000 0.856 226 R HN 0.330 nan 8.270 nan 0.000 0.437 227 A N 0.131 122.977 122.820 0.043 0.000 1.898 227 A HA -0.086 4.233 4.320 -0.001 0.000 0.216 227 A C 2.277 179.844 177.584 -0.028 0.000 1.181 227 A CA 1.451 53.498 52.037 0.017 0.000 0.620 227 A CB -0.424 18.579 19.000 0.004 0.000 0.819 227 A HN 0.223 nan 8.150 nan 0.000 0.442 228 V N 0.141 120.005 119.914 -0.084 0.000 2.407 228 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 228 V C 2.361 178.301 176.094 -0.256 0.000 1.055 228 V CA 2.249 64.383 62.300 -0.277 0.000 1.049 228 V CB -0.895 30.545 31.823 -0.638 0.000 0.662 228 V HN 0.636 nan 8.190 nan 0.000 0.455 229 E N -0.049 120.095 120.200 -0.094 0.000 2.077 229 E HA -0.273 4.076 4.350 -0.001 0.000 0.193 229 E C 2.295 178.910 176.600 0.025 0.000 0.989 229 E CA 1.468 57.891 56.400 0.038 0.000 0.800 229 E CB -0.149 29.637 29.700 0.144 0.000 0.746 229 E HN 0.701 nan 8.360 nan 0.000 0.452 230 E N 0.650 120.872 120.200 0.037 0.000 2.077 230 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 230 E C 2.066 178.692 176.600 0.043 0.000 0.989 230 E CA 1.002 57.436 56.400 0.056 0.000 0.800 230 E CB -0.069 29.699 29.700 0.113 0.000 0.746 230 E HN 0.221 nan 8.360 nan 0.000 0.452 231 A N 1.313 124.181 122.820 0.080 0.000 1.902 231 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 231 A C 2.168 179.769 177.584 0.027 0.000 1.181 231 A CA 1.598 53.691 52.037 0.094 0.000 0.623 231 A CB -0.485 18.542 19.000 0.045 0.000 0.818 231 A HN 0.203 nan 8.150 nan 0.000 0.443 232 R N -0.558 119.940 120.500 -0.003 0.000 2.148 232 R HA 0.024 4.364 4.340 -0.001 0.000 0.227 232 R C 2.207 178.553 176.300 0.075 0.000 1.103 232 R CA 0.940 57.064 56.100 0.040 0.000 0.983 232 R CB -0.352 29.906 30.300 -0.070 0.000 0.874 232 R HN 0.502 nan 8.270 nan 0.000 0.451 233 A N 0.742 123.573 122.820 0.018 0.000 2.119 233 A HA 0.027 4.347 4.320 -0.001 0.000 0.217 233 A C 0.873 178.426 177.584 -0.052 0.000 1.153 233 A CA 0.409 52.446 52.037 -0.001 0.000 0.692 233 A CB 0.343 19.339 19.000 -0.007 0.000 0.799 233 A HN 0.031 nan 8.150 nan 0.000 0.458 234 V N 1.803 121.649 119.914 -0.114 0.000 2.353 234 V HA 0.156 4.275 4.120 -0.001 0.000 0.264 234 V C 1.494 177.534 176.094 -0.091 0.000 1.049 234 V CA 0.675 62.869 62.300 -0.178 0.000 0.896 234 V CB 0.479 32.049 31.823 -0.422 0.000 1.025 234 V HN 0.620 nan 8.190 nan 0.000 0.475 235 T N -0.837 113.674 114.554 -0.070 0.000 3.060 235 T HA 0.001 4.350 4.350 -0.001 0.000 0.249 235 T C 0.869 175.516 174.700 -0.089 0.000 1.079 235 T CA 0.557 62.619 62.100 -0.062 0.000 1.013 235 T CB -0.032 68.811 68.868 -0.043 0.000 0.975 235 T HN 0.671 nan 8.240 nan 0.000 0.518 236 D N 0.255 120.603 120.400 -0.087 0.000 2.433 236 D HA 0.213 4.852 4.640 -0.001 0.000 0.211 236 D C 0.207 176.446 176.300 -0.101 0.000 1.114 236 D CA -0.287 53.661 54.000 -0.087 0.000 0.837 236 D CB 0.205 40.968 40.800 -0.062 0.000 0.984 236 D HN 0.346 nan 8.370 nan 0.000 0.505 237 K N 0.904 121.234 120.400 -0.117 0.000 2.498 237 K HA 0.407 4.727 4.320 -0.001 0.000 0.254 237 K C -2.923 173.534 176.600 -0.238 0.000 0.933 237 K CA -1.947 54.252 56.287 -0.147 0.000 0.806 237 K CB 3.039 35.520 32.500 -0.031 0.000 1.301 237 K HN -0.144 nan 8.250 nan 0.000 0.432 238 P HA 0.069 nan 4.420 nan 0.000 0.272 238 P C -0.816 176.225 177.300 -0.432 0.000 1.223 238 P CA -0.288 62.374 63.100 -0.730 0.000 0.784 238 P CB 0.883 31.616 31.700 -1.613 0.000 0.923 239 S N 1.103 116.726 115.700 -0.128 0.000 2.503 239 S HA 0.523 4.992 4.470 -0.001 0.000 0.301 239 S C -0.510 174.326 174.600 0.393 0.000 1.087 239 S CA -0.502 57.831 58.200 0.223 0.000 1.042 239 S CB 0.827 64.164 63.200 0.228 0.000 1.043 239 S HN 0.378 nan 8.310 nan 0.000 0.489 240 L N 3.663 125.101 121.223 0.358 0.000 2.325 240 L HA 0.621 4.960 4.340 -0.001 0.000 0.281 240 L C -1.763 175.062 176.870 -0.075 0.000 1.004 240 L CA -0.568 54.339 54.840 0.111 0.000 0.823 240 L CB 0.943 42.911 42.059 -0.151 0.000 1.236 240 L HN 0.460 nan 8.230 nan 0.000 0.415 241 L N 6.320 127.463 121.223 -0.134 0.000 2.265 241 L HA 0.450 4.790 4.340 -0.001 0.000 0.289 241 L C -0.148 176.695 176.870 -0.045 0.000 1.033 241 L CA -0.109 54.646 54.840 -0.142 0.000 0.814 241 L CB 1.320 43.213 42.059 -0.277 0.000 1.203 241 L HN 0.542 nan 8.230 nan 0.000 0.423 242 M N 3.231 122.809 119.600 -0.037 0.000 2.557 242 M HA 0.156 4.636 4.480 -0.001 0.000 0.328 242 M C -0.728 175.531 176.300 -0.068 0.000 1.423 242 M CA 0.050 55.349 55.300 -0.003 0.000 1.418 242 M CB -0.106 32.497 32.600 0.005 0.000 1.381 242 M HN 0.472 nan 8.290 nan 0.000 0.467 243 C N 3.497 122.730 119.300 -0.112 0.000 2.225 243 C HA 0.290 4.750 4.460 -0.001 0.000 0.328 243 C C 1.020 175.877 174.990 -0.221 0.000 1.187 243 C CA -0.958 57.974 59.018 -0.144 0.000 1.665 243 C CB -0.640 27.027 27.740 -0.122 0.000 2.253 243 C HN 0.657 nan 8.230 nan 0.000 0.497 244 K N 3.476 123.772 120.400 -0.173 0.000 2.378 244 K HA 0.354 4.673 4.320 -0.001 0.000 0.288 244 K C 0.558 177.045 176.600 -0.188 0.000 1.057 244 K CA 0.461 56.656 56.287 -0.153 0.000 0.971 244 K CB 0.309 32.761 32.500 -0.080 0.000 0.975 244 K HN 0.854 nan 8.250 nan 0.000 0.475 245 T N 1.023 115.482 114.554 -0.158 0.000 2.887 245 T HA 0.568 4.917 4.350 -0.001 0.000 0.292 245 T C -0.167 174.634 174.700 0.168 0.000 1.087 245 T CA -0.999 61.030 62.100 -0.118 0.000 1.009 245 T CB 0.744 69.485 68.868 -0.211 0.000 1.203 245 T HN 0.362 nan 8.240 nan 0.000 0.518 246 I N 1.758 122.630 120.570 0.503 0.000 2.354 246 I HA 0.381 4.551 4.170 -0.001 0.000 0.286 246 I C 0.270 176.550 176.117 0.270 0.000 1.007 246 I CA -1.030 60.469 61.300 0.332 0.000 1.167 246 I CB 1.311 39.501 38.000 0.316 0.000 1.320 246 I HN 0.659 nan 8.210 nan 0.000 0.458 247 I N 6.348 127.016 120.570 0.163 0.000 2.775 247 I HA 0.071 4.241 4.170 -0.001 0.000 0.290 247 I C 1.388 177.576 176.117 0.119 0.000 1.203 247 I CA 1.114 62.497 61.300 0.139 0.000 1.433 247 I CB 0.515 38.590 38.000 0.125 0.000 1.354 247 I HN 0.944 nan 8.210 nan 0.000 0.579 248 G N 5.850 114.717 108.800 0.112 0.000 2.179 248 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.257 248 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.257 248 G C 0.265 175.203 174.900 0.064 0.000 1.010 248 G CA 0.137 45.276 45.100 0.066 0.000 0.736 248 G HN 0.725 nan 8.290 nan 0.000 0.513 249 F N 0.838 120.763 119.950 -0.043 0.000 2.579 249 F HA 0.308 4.834 4.527 -0.001 0.000 0.397 249 F C 1.562 177.292 175.800 -0.116 0.000 1.027 249 F CA 2.044 59.970 58.000 -0.124 0.000 1.217 249 F CB 0.224 39.084 39.000 -0.234 0.000 0.986 249 F HN 1.090 nan 8.300 nan 0.000 0.551 250 G N 2.965 111.428 108.800 -0.563 0.000 2.307 250 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.210 250 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.210 250 G C 0.318 175.087 174.900 -0.219 0.000 1.005 250 G CA -0.025 44.871 45.100 -0.341 0.000 0.634 250 G HN 1.070 nan 8.290 nan 0.000 0.496 251 S N 2.478 118.078 115.700 -0.166 0.000 2.422 251 S HA 0.557 5.027 4.470 -0.001 0.000 0.283 251 S C -0.310 174.216 174.600 -0.125 0.000 1.163 251 S CA -0.490 57.641 58.200 -0.114 0.000 1.054 251 S CB 1.449 64.603 63.200 -0.077 0.000 0.967 251 S HN 0.103 nan 8.310 nan 0.000 0.499 252 P HA -0.066 nan 4.420 nan 0.000 0.216 252 P C 0.702 177.958 177.300 -0.074 0.000 1.150 252 P CA 1.239 64.281 63.100 -0.097 0.000 0.837 252 P CB 0.109 31.765 31.700 -0.074 0.000 0.786 253 N N -1.366 117.297 118.700 -0.061 0.000 2.356 253 N HA 0.054 4.794 4.740 -0.001 0.000 0.178 253 N C 1.191 176.671 175.510 -0.051 0.000 1.075 253 N CA 0.563 53.584 53.050 -0.048 0.000 0.889 253 N CB 0.306 38.770 38.487 -0.039 0.000 0.999 253 N HN 0.273 nan 8.380 nan 0.000 0.464 254 K N 0.330 120.696 120.400 -0.058 0.000 2.412 254 K HA 0.308 4.627 4.320 -0.001 0.000 0.202 254 K C 0.322 176.893 176.600 -0.049 0.000 1.102 254 K CA -0.198 56.053 56.287 -0.060 0.000 1.027 254 K CB 1.186 33.650 32.500 -0.060 0.000 0.931 254 K HN -0.044 nan 8.250 nan 0.000 0.557 255 A N 1.124 123.911 122.820 -0.055 0.000 2.540 255 A HA 0.362 4.681 4.320 -0.001 0.000 0.239 255 A C 1.219 178.795 177.584 -0.013 0.000 1.061 255 A CA 1.085 53.096 52.037 -0.043 0.000 0.758 255 A CB -0.553 18.381 19.000 -0.110 0.000 0.991 255 A HN 0.550 nan 8.150 nan 0.000 0.502 256 G N 1.477 110.291 108.800 0.024 0.000 2.148 256 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.254 256 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.254 256 G C 0.451 175.362 174.900 0.018 0.000 0.981 256 G CA 1.286 46.412 45.100 0.044 0.000 0.670 256 G HN 2.359 nan 8.290 nan 0.000 0.528 257 T N -3.233 111.313 114.554 -0.014 0.000 2.908 257 T HA 0.619 4.968 4.350 -0.001 0.000 0.290 257 T C 1.381 176.043 174.700 -0.063 0.000 1.034 257 T CA 0.268 62.330 62.100 -0.065 0.000 1.010 257 T CB 1.377 70.170 68.868 -0.124 0.000 1.068 257 T HN 0.685 nan 8.240 nan 0.000 0.481 258 H N 0.957 120.013 119.070 -0.023 0.000 2.489 258 H HA -0.071 4.484 4.556 -0.001 0.000 0.293 258 H C 0.545 175.918 175.328 0.074 0.000 1.066 258 H CA 1.651 57.716 56.048 0.029 0.000 1.305 258 H CB -0.527 29.242 29.762 0.012 0.000 1.386 258 H HN 0.681 nan 8.280 nan 0.000 0.551 259 D N 1.245 121.319 120.400 -0.543 0.000 2.182 259 D HA -0.153 4.486 4.640 -0.001 0.000 0.201 259 D C 2.263 178.515 176.300 -0.080 0.000 0.986 259 D CA 2.077 55.893 54.000 -0.306 0.000 0.847 259 D CB -0.084 40.533 40.800 -0.305 0.000 0.942 259 D HN 0.586 nan 8.370 nan 0.000 0.467 260 S N -1.011 114.668 115.700 -0.035 0.000 2.562 260 S HA -0.065 4.404 4.470 -0.001 0.000 0.221 260 S C 1.704 176.347 174.600 0.072 0.000 0.975 260 S CA 0.218 58.426 58.200 0.012 0.000 0.918 260 S CB -0.264 62.944 63.200 0.013 0.000 0.772 260 S HN 0.394 nan 8.310 nan 0.000 0.531 261 H N 2.119 121.220 119.070 0.052 0.000 2.293 261 H HA 0.154 4.709 4.556 -0.001 0.000 0.300 261 H C 1.591 177.008 175.328 0.147 0.000 1.082 261 H CA 2.017 58.138 56.048 0.122 0.000 1.308 261 H CB -0.590 29.246 29.762 0.123 0.000 1.375 261 H HN 0.460 nan 8.280 nan 0.000 0.495 262 G N -1.536 107.170 108.800 -0.157 0.000 4.299 262 G HA2 0.586 4.545 3.960 -0.001 0.000 0.290 262 G HA3 0.586 4.545 3.960 -0.001 0.000 0.290 262 G C -0.753 173.947 174.900 -0.333 0.000 1.019 262 G CA 0.270 45.103 45.100 -0.444 0.000 0.790 262 G HN 0.662 nan 8.290 nan 0.000 0.452 263 A N 0.120 122.834 122.820 -0.175 0.000 2.587 263 A HA 0.888 5.208 4.320 -0.001 0.000 0.293 263 A C -3.126 174.417 177.584 -0.067 0.000 1.087 263 A CA -1.370 50.601 52.037 -0.110 0.000 0.692 263 A CB 1.355 20.324 19.000 -0.051 0.000 1.291 263 A HN -0.020 nan 8.150 nan 0.000 0.407 264 P HA 0.112 nan 4.420 nan 0.000 0.265 264 P C 0.800 178.086 177.300 -0.023 0.000 1.187 264 P CA 0.073 63.163 63.100 -0.016 0.000 0.766 264 P CB 0.376 32.077 31.700 0.001 0.000 0.820 265 L N 1.560 122.768 121.223 -0.025 0.000 2.141 265 L HA 0.040 4.379 4.340 -0.001 0.000 0.209 265 L C 1.213 178.069 176.870 -0.024 0.000 1.094 265 L CA 1.256 56.078 54.840 -0.029 0.000 0.763 265 L CB -1.040 40.998 42.059 -0.036 0.000 0.908 265 L HN 0.738 nan 8.230 nan 0.000 0.437 266 G N -0.299 108.491 108.800 -0.016 0.000 2.712 266 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.686 266 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.686 266 G C -0.191 174.702 174.900 -0.010 0.000 1.181 266 G CA -0.304 44.789 45.100 -0.010 0.000 0.762 266 G HN 0.045 nan 8.290 nan 0.000 0.641 267 D N 0.645 121.043 120.400 -0.004 0.000 2.104 267 D HA -0.124 4.515 4.640 -0.001 0.000 0.194 267 D C 2.790 179.086 176.300 -0.007 0.000 0.994 267 D CA 2.262 56.261 54.000 -0.002 0.000 0.830 267 D CB -0.385 40.418 40.800 0.005 0.000 0.959 267 D HN 0.926 nan 8.370 nan 0.000 0.452 268 A N 0.922 123.737 122.820 -0.007 0.000 1.883 268 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 268 A C 2.175 179.749 177.584 -0.016 0.000 1.186 268 A CA 2.001 54.032 52.037 -0.010 0.000 0.624 268 A CB -0.571 18.423 19.000 -0.010 0.000 0.822 268 A HN 0.141 nan 8.150 nan 0.000 0.444 269 E N 0.171 120.359 120.200 -0.020 0.000 2.110 269 E HA -0.119 4.230 4.350 -0.001 0.000 0.193 269 E C 1.708 178.289 176.600 -0.030 0.000 0.988 269 E CA 1.252 57.636 56.400 -0.028 0.000 0.804 269 E CB -0.396 29.285 29.700 -0.032 0.000 0.745 269 E HN 0.645 nan 8.360 nan 0.000 0.458 270 I N 0.236 120.790 120.570 -0.027 0.000 2.208 270 I HA -0.306 3.863 4.170 -0.001 0.000 0.245 270 I C 2.323 178.431 176.117 -0.016 0.000 1.097 270 I CA 1.090 62.372 61.300 -0.030 0.000 1.363 270 I CB -0.421 37.559 38.000 -0.033 0.000 1.051 270 I HN 0.189 nan 8.210 nan 0.000 0.413 271 A N 0.909 123.723 122.820 -0.010 0.000 1.902 271 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 271 A C 2.284 179.865 177.584 -0.006 0.000 1.181 271 A CA 1.450 53.486 52.037 -0.002 0.000 0.623 271 A CB -0.840 18.158 19.000 -0.004 0.000 0.818 271 A HN 0.396 nan 8.150 nan 0.000 0.443 272 L N -0.794 120.419 121.223 -0.017 0.000 2.141 272 L HA -0.143 4.197 4.340 -0.001 0.000 0.209 272 L C 2.742 179.594 176.870 -0.029 0.000 1.094 272 L CA 1.618 56.444 54.840 -0.024 0.000 0.763 272 L CB -0.789 41.251 42.059 -0.032 0.000 0.908 272 L HN 0.354 nan 8.230 nan 0.000 0.437 273 T N -0.809 113.726 114.554 -0.031 0.000 2.737 273 T HA -0.156 4.193 4.350 -0.001 0.000 0.265 273 T C 2.029 176.728 174.700 -0.002 0.000 1.038 273 T CA 1.052 63.129 62.100 -0.038 0.000 1.144 273 T CB -0.145 68.692 68.868 -0.051 0.000 0.866 273 T HN 0.256 nan 8.240 nan 0.000 0.434 274 R N 0.782 121.301 120.500 0.030 0.000 2.103 274 R HA -0.156 4.184 4.340 -0.001 0.000 0.242 274 R C 2.587 178.931 176.300 0.072 0.000 1.142 274 R CA 1.784 57.946 56.100 0.103 0.000 0.960 274 R CB -0.258 30.112 30.300 0.116 0.000 0.858 274 R HN 0.570 nan 8.270 nan 0.000 0.439 275 E N 0.780 120.995 120.200 0.024 0.000 2.051 275 E HA -0.288 4.061 4.350 -0.001 0.000 0.192 275 E C 2.104 178.705 176.600 0.001 0.000 0.991 275 E CA 1.444 57.847 56.400 0.004 0.000 0.799 275 E CB 0.015 29.708 29.700 -0.011 0.000 0.748 275 E HN 0.310 nan 8.360 nan 0.000 0.449 276 Q N 0.113 119.903 119.800 -0.017 0.000 2.124 276 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 276 Q C 2.186 178.179 176.000 -0.012 0.000 0.977 276 Q CA 1.417 57.196 55.803 -0.041 0.000 0.850 276 Q CB -0.001 28.681 28.738 -0.094 0.000 0.901 276 Q HN 0.390 nan 8.270 nan 0.000 0.429 277 L N -0.841 120.400 121.223 0.030 0.000 2.492 277 L HA 0.137 4.476 4.340 -0.001 0.000 0.223 277 L C 1.188 178.142 176.870 0.141 0.000 1.132 277 L CA 0.373 55.271 54.840 0.098 0.000 0.850 277 L CB -0.158 41.977 42.059 0.126 0.000 0.966 277 L HN 0.510 nan 8.230 nan 0.000 0.454 278 G N -0.268 108.592 108.800 0.101 0.000 2.273 278 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.280 278 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.280 278 G C -0.083 174.883 174.900 0.110 0.000 1.047 278 G CA -0.112 45.031 45.100 0.072 0.000 0.869 278 G HN 0.476 nan 8.290 nan 0.000 0.502 279 W N 0.768 122.043 121.300 -0.042 0.000 2.342 279 W HA 0.539 5.198 4.660 -0.001 0.000 0.310 279 W C 0.154 176.593 176.519 -0.134 0.000 1.128 279 W CA -0.959 56.362 57.345 -0.041 0.000 1.322 279 W CB 0.740 30.207 29.460 0.013 0.000 1.251 279 W HN -0.020 nan 8.180 nan 0.000 0.439 280 K N 5.344 125.256 120.400 -0.814 0.000 2.374 280 K HA 0.022 4.341 4.320 -0.001 0.000 0.196 280 K C -0.601 175.473 176.600 -0.877 0.000 1.023 280 K CA 0.159 55.979 56.287 -0.778 0.000 1.103 280 K CB 0.020 32.048 32.500 -0.785 0.000 0.848 280 K HN 0.310 nan 8.250 nan 0.000 0.528 281 Y N 0.530 120.413 120.300 -0.696 0.000 2.387 281 Y HA 0.452 5.001 4.550 -0.001 0.000 0.330 281 Y C 0.819 176.692 175.900 -0.045 0.000 1.133 281 Y CA -1.411 56.459 58.100 -0.384 0.000 1.152 281 Y CB 0.795 38.955 38.460 -0.500 0.000 1.215 281 Y HN -0.093 nan 8.280 nan 0.000 0.466 282 A N 3.640 126.550 122.820 0.150 0.000 2.386 282 A HA 0.395 4.715 4.320 -0.001 0.000 0.246 282 A C -2.496 175.157 177.584 0.116 0.000 1.089 282 A CA -1.485 50.622 52.037 0.117 0.000 0.790 282 A CB -0.542 18.517 19.000 0.098 0.000 1.042 282 A HN 0.541 nan 8.150 nan 0.000 0.497 283 P HA 0.204 nan 4.420 nan 0.000 0.261 283 P C -0.466 176.749 177.300 -0.141 0.000 1.183 283 P CA 0.672 63.610 63.100 -0.270 0.000 0.761 283 P CB -0.239 31.288 31.700 -0.288 0.000 0.785 284 F N -0.419 119.582 119.950 0.086 0.000 2.884 284 F HA -0.210 4.317 4.527 -0.001 0.000 0.294 284 F C 0.647 176.499 175.800 0.087 0.000 0.723 284 F CA 0.671 58.701 58.000 0.050 0.000 1.294 284 F CB -2.141 36.869 39.000 0.016 0.000 1.551 284 F HN 0.333 nan 8.300 nan 0.000 0.363 285 E N 1.857 122.178 120.200 0.201 0.000 2.134 285 E HA 0.561 4.910 4.350 -0.001 0.000 0.278 285 E C -0.626 176.018 176.600 0.073 0.000 0.959 285 E CA -0.485 56.009 56.400 0.157 0.000 0.783 285 E CB 0.780 30.576 29.700 0.159 0.000 1.095 285 E HN 0.174 nan 8.360 nan 0.000 0.399 286 I N 6.799 127.361 120.570 -0.014 0.000 2.447 286 I HA 0.323 4.493 4.170 -0.001 0.000 0.287 286 I C -2.150 173.791 176.117 -0.293 0.000 1.023 286 I CA -2.496 58.650 61.300 -0.257 0.000 1.083 286 I CB 1.285 38.980 38.000 -0.508 0.000 1.245 286 I HN 0.506 nan 8.210 nan 0.000 0.434 287 P HA 0.151 nan 4.420 nan 0.000 0.274 287 P C 0.863 178.131 177.300 -0.054 0.000 1.237 287 P CA -0.186 62.735 63.100 -0.300 0.000 0.793 287 P CB 0.893 32.311 31.700 -0.470 0.000 0.977 288 S N 0.411 116.151 115.700 0.067 0.000 2.383 288 S HA -0.244 4.225 4.470 -0.001 0.000 0.229 288 S C 1.812 176.486 174.600 0.122 0.000 1.030 288 S CA 1.441 59.735 58.200 0.156 0.000 1.002 288 S CB -0.989 62.270 63.200 0.099 0.000 0.829 288 S HN 0.670 nan 8.310 nan 0.000 0.467 289 E N 1.070 121.302 120.200 0.054 0.000 2.110 289 E HA -0.129 4.221 4.350 -0.001 0.000 0.193 289 E C 1.967 178.607 176.600 0.066 0.000 0.988 289 E CA 1.415 57.846 56.400 0.051 0.000 0.804 289 E CB -0.248 29.471 29.700 0.032 0.000 0.745 289 E HN 0.706 nan 8.360 nan 0.000 0.458 290 I N -0.062 120.533 120.570 0.042 0.000 2.286 290 I HA -0.236 3.934 4.170 -0.001 0.000 0.245 290 I C 1.949 178.179 176.117 0.189 0.000 1.104 290 I CA 0.755 62.112 61.300 0.096 0.000 1.397 290 I CB -0.335 37.698 38.000 0.055 0.000 1.072 290 I HN 0.166 nan 8.210 nan 0.000 0.417 291 Y N 1.138 121.531 120.300 0.156 0.000 2.165 291 Y HA -0.271 4.279 4.550 -0.001 0.000 0.286 291 Y C 2.708 178.686 175.900 0.131 0.000 1.155 291 Y CA 1.321 59.506 58.100 0.141 0.000 1.164 291 Y CB -0.990 37.503 38.460 0.056 0.000 0.978 291 Y HN 0.134 nan 8.280 nan 0.000 0.513 292 A N -0.272 122.694 122.820 0.242 0.000 1.940 292 A HA -0.272 4.048 4.320 -0.001 0.000 0.219 292 A C 2.081 179.731 177.584 0.109 0.000 1.176 292 A CA 2.019 54.141 52.037 0.141 0.000 0.631 292 A CB -0.663 18.390 19.000 0.089 0.000 0.814 292 A HN 0.580 nan 8.150 nan 0.000 0.446 293 Q N -2.569 117.286 119.800 0.091 0.000 2.245 293 Q HA -0.104 4.236 4.340 -0.001 0.000 0.201 293 Q C 1.758 177.750 176.000 -0.014 0.000 0.955 293 Q CA 0.986 56.785 55.803 -0.006 0.000 0.870 293 Q CB -0.097 28.588 28.738 -0.088 0.000 0.945 293 Q HN 0.887 nan 8.270 nan 0.000 0.461 294 W N 1.213 122.557 121.300 0.074 0.000 2.576 294 W HA 0.011 4.671 4.660 -0.001 0.000 0.275 294 W C 0.403 176.994 176.519 0.120 0.000 1.241 294 W CA -0.331 57.070 57.345 0.093 0.000 1.328 294 W CB 0.363 29.870 29.460 0.079 0.000 1.092 294 W HN 0.015 nan 8.180 nan 0.000 0.586 295 D N -0.234 120.371 120.400 0.342 0.000 2.455 295 D HA 0.183 4.822 4.640 -0.001 0.000 0.241 295 D C 0.713 177.105 176.300 0.153 0.000 1.138 295 D CA 0.603 54.736 54.000 0.223 0.000 0.877 295 D CB 1.239 42.118 40.800 0.132 0.000 1.187 295 D HN 0.044 nan 8.370 nan 0.000 0.451 296 A N 3.760 126.647 122.820 0.112 0.000 2.538 296 A HA 0.105 4.424 4.320 -0.001 0.000 0.269 296 A C 1.611 179.130 177.584 -0.108 0.000 1.231 296 A CA -0.312 51.731 52.037 0.010 0.000 0.948 296 A CB 0.109 19.108 19.000 -0.001 0.000 1.110 296 A HN 0.581 nan 8.150 nan 0.000 0.529 297 K N 0.522 120.870 120.400 -0.087 0.000 2.026 297 K HA -0.156 4.164 4.320 -0.001 0.000 0.208 297 K C 1.482 178.013 176.600 -0.114 0.000 1.048 297 K CA 1.720 57.931 56.287 -0.127 0.000 0.929 297 K CB -0.036 32.401 32.500 -0.104 0.000 0.713 297 K HN 0.599 nan 8.250 nan 0.000 0.439 298 E N 0.610 120.764 120.200 -0.076 0.000 2.028 298 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 298 E C 2.160 178.716 176.600 -0.073 0.000 0.988 298 E CA 1.014 57.374 56.400 -0.067 0.000 0.799 298 E CB -0.127 29.548 29.700 -0.042 0.000 0.755 298 E HN 0.304 nan 8.360 nan 0.000 0.447 299 A N 1.371 124.153 122.820 -0.063 0.000 1.902 299 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 299 A C 2.428 179.958 177.584 -0.090 0.000 1.181 299 A CA 1.811 53.814 52.037 -0.056 0.000 0.623 299 A CB -1.184 17.798 19.000 -0.030 0.000 0.818 299 A HN 0.360 nan 8.150 nan 0.000 0.443 300 G N -1.048 107.664 108.800 -0.147 0.000 2.446 300 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.217 300 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.217 300 G C 1.650 176.402 174.900 -0.248 0.000 1.168 300 G CA 1.104 46.079 45.100 -0.208 0.000 0.771 300 G HN 0.487 nan 8.290 nan 0.000 0.551 301 Q N 0.823 120.499 119.800 -0.208 0.000 2.096 301 Q HA -0.093 4.246 4.340 -0.001 0.000 0.204 301 Q C 2.820 178.707 176.000 -0.188 0.000 0.982 301 Q CA 1.899 57.580 55.803 -0.203 0.000 0.850 301 Q CB -0.584 28.069 28.738 -0.141 0.000 0.901 301 Q HN 0.373 nan 8.270 nan 0.000 0.422 302 A N 1.103 123.845 122.820 -0.131 0.000 1.877 302 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 302 A C 2.139 179.669 177.584 -0.090 0.000 1.186 302 A CA 1.824 53.809 52.037 -0.087 0.000 0.620 302 A CB -0.375 18.595 19.000 -0.049 0.000 0.822 302 A HN 0.414 nan 8.150 nan 0.000 0.443 303 K N -0.669 119.665 120.400 -0.110 0.000 2.025 303 K HA -0.148 4.171 4.320 -0.001 0.000 0.207 303 K C 2.164 178.605 176.600 -0.266 0.000 1.049 303 K CA 1.475 57.729 56.287 -0.056 0.000 0.933 303 K CB -0.152 32.394 32.500 0.078 0.000 0.714 303 K HN 0.681 nan 8.250 nan 0.000 0.438 304 E N 0.722 120.476 120.200 -0.744 0.000 2.077 304 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 304 E C 1.811 178.190 176.600 -0.368 0.000 0.989 304 E CA 1.207 56.916 56.400 -1.151 0.000 0.800 304 E CB 0.156 29.034 29.700 -1.369 0.000 0.746 304 E HN 0.114 nan 8.360 nan 0.000 0.452 305 S N 0.367 115.933 115.700 -0.224 0.000 2.368 305 S HA -0.157 4.312 4.470 -0.001 0.000 0.225 305 S C 2.030 176.633 174.600 0.005 0.000 1.030 305 S CA 0.935 59.088 58.200 -0.079 0.000 0.999 305 S CB -0.268 62.888 63.200 -0.073 0.000 0.844 305 S HN 0.487 nan 8.310 nan 0.000 0.459 306 A N 0.470 123.304 122.820 0.023 0.000 1.908 306 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 306 A C 1.849 179.526 177.584 0.155 0.000 1.181 306 A CA 1.655 53.740 52.037 0.081 0.000 0.627 306 A CB -1.105 17.954 19.000 0.098 0.000 0.818 306 A HN 0.728 nan 8.150 nan 0.000 0.445 307 W N 1.350 122.695 121.300 0.075 0.000 2.358 307 W HA -0.178 4.482 4.660 -0.001 0.000 0.303 307 W C 1.852 178.480 176.519 0.183 0.000 1.208 307 W CA 1.843 59.309 57.345 0.202 0.000 1.274 307 W CB -0.207 29.528 29.460 0.457 0.000 1.138 307 W HN 0.361 nan 8.180 nan 0.000 0.515 308 N N 0.656 119.491 118.700 0.225 0.000 2.094 308 N HA -0.216 4.524 4.740 -0.001 0.000 0.191 308 N C 1.464 176.961 175.510 -0.022 0.000 1.023 308 N CA 2.215 55.311 53.050 0.077 0.000 0.857 308 N CB -0.734 37.826 38.487 0.121 0.000 1.013 308 N HN 0.451 nan 8.380 nan 0.000 0.426 309 E N 0.609 120.804 120.200 -0.009 0.000 2.072 309 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 309 E C 1.884 178.456 176.600 -0.047 0.000 0.985 309 E CA 0.814 57.206 56.400 -0.014 0.000 0.801 309 E CB -0.010 29.692 29.700 0.003 0.000 0.750 309 E HN 0.331 nan 8.360 nan 0.000 0.452 310 K N 0.438 120.782 120.400 -0.094 0.000 2.057 310 K HA -0.186 4.133 4.320 -0.001 0.000 0.207 310 K C 1.933 178.433 176.600 -0.165 0.000 1.049 310 K CA 1.178 57.394 56.287 -0.117 0.000 0.931 310 K CB -0.175 32.237 32.500 -0.146 0.000 0.714 310 K HN 0.045 nan 8.250 nan 0.000 0.440 311 F N 1.056 120.670 119.950 -0.560 0.000 2.186 311 F HA -0.096 4.431 4.527 -0.001 0.000 0.299 311 F C 1.966 177.679 175.800 -0.144 0.000 1.090 311 F CA 1.312 59.004 58.000 -0.513 0.000 1.307 311 F CB -0.428 38.006 39.000 -0.943 0.000 1.019 311 F HN 0.100 nan 8.300 nan 0.000 0.489 312 A N 0.374 123.139 122.820 -0.093 0.000 1.908 312 A HA -0.114 4.206 4.320 -0.001 0.000 0.218 312 A C 2.424 179.939 177.584 -0.115 0.000 1.181 312 A CA 1.915 53.898 52.037 -0.091 0.000 0.627 312 A CB -1.566 17.428 19.000 -0.009 0.000 0.818 312 A HN 0.476 nan 8.150 nan 0.000 0.445 313 A N -1.636 121.158 122.820 -0.042 0.000 1.902 313 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 313 A C 2.141 179.746 177.584 0.035 0.000 1.181 313 A CA 1.601 53.660 52.037 0.036 0.000 0.623 313 A CB -0.839 18.230 19.000 0.115 0.000 0.818 313 A HN 0.755 nan 8.150 nan 0.000 0.443 314 Y N 0.580 120.790 120.300 -0.151 0.000 2.128 314 Y HA -0.151 4.398 4.550 -0.001 0.000 0.284 314 Y C 2.606 178.280 175.900 -0.377 0.000 1.154 314 Y CA 1.631 59.523 58.100 -0.345 0.000 1.149 314 Y CB -0.329 37.917 38.460 -0.357 0.000 0.976 314 Y HN 0.315 nan 8.280 nan 0.000 0.505 315 A N 0.450 122.987 122.820 -0.472 0.000 1.972 315 A HA -0.161 4.159 4.320 -0.001 0.000 0.219 315 A C 2.225 179.622 177.584 -0.313 0.000 1.169 315 A CA 1.574 53.339 52.037 -0.454 0.000 0.635 315 A CB -0.497 18.256 19.000 -0.411 0.000 0.810 315 A HN 0.395 nan 8.150 nan 0.000 0.446 316 K N -0.386 119.864 120.400 -0.250 0.000 2.057 316 K HA -0.071 4.248 4.320 -0.001 0.000 0.207 316 K C 2.207 178.640 176.600 -0.279 0.000 1.049 316 K CA 1.379 57.547 56.287 -0.200 0.000 0.931 316 K CB -0.376 32.047 32.500 -0.128 0.000 0.714 316 K HN 0.459 nan 8.250 nan 0.000 0.440 317 A N -0.449 122.136 122.820 -0.391 0.000 1.975 317 A HA -0.041 4.278 4.320 -0.001 0.000 0.215 317 A C 0.286 177.300 177.584 -0.951 0.000 1.170 317 A CA 0.788 52.452 52.037 -0.621 0.000 0.656 317 A CB 0.022 18.626 19.000 -0.659 0.000 0.821 317 A HN 0.267 nan 8.150 nan 0.000 0.449 318 Y N -0.745 119.212 120.300 -0.572 0.000 2.490 318 Y HA 0.269 4.818 4.550 -0.001 0.000 0.346 318 Y C -1.937 173.686 175.900 -0.462 0.000 1.023 318 Y CA -2.129 55.630 58.100 -0.567 0.000 1.142 318 Y CB 0.897 38.823 38.460 -0.890 0.000 1.126 318 Y HN 0.188 nan 8.280 nan 0.000 0.647 319 P HA -0.201 nan 4.420 nan 0.000 0.216 319 P C 1.084 178.364 177.300 -0.033 0.000 1.153 319 P CA 1.631 64.654 63.100 -0.128 0.000 0.848 319 P CB 0.588 32.225 31.700 -0.105 0.000 0.787 320 Q N -0.195 119.601 119.800 -0.006 0.000 2.079 320 Q HA -0.177 4.162 4.340 -0.001 0.000 0.200 320 Q C 2.220 178.297 176.000 0.128 0.000 0.974 320 Q CA 1.489 57.324 55.803 0.053 0.000 0.840 320 Q CB -0.348 28.415 28.738 0.041 0.000 0.898 320 Q HN 0.294 nan 8.270 nan 0.000 0.430 321 E N 0.742 121.022 120.200 0.133 0.000 2.077 321 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 321 E C 1.804 178.703 176.600 0.498 0.000 0.989 321 E CA 1.278 57.859 56.400 0.302 0.000 0.800 321 E CB -0.284 29.540 29.700 0.206 0.000 0.746 321 E HN 0.377 nan 8.360 nan 0.000 0.452 322 A N 1.018 123.996 122.820 0.264 0.000 1.902 322 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 322 A C 2.366 180.224 177.584 0.456 0.000 1.181 322 A CA 1.838 54.094 52.037 0.366 0.000 0.623 322 A CB -0.847 18.087 19.000 -0.110 0.000 0.818 322 A HN 0.286 nan 8.150 nan 0.000 0.443 323 A N -0.598 122.388 122.820 0.277 0.000 1.902 323 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 323 A C 1.976 179.709 177.584 0.248 0.000 1.181 323 A CA 1.648 53.826 52.037 0.235 0.000 0.623 323 A CB -0.394 18.692 19.000 0.143 0.000 0.818 323 A HN 0.447 nan 8.150 nan 0.000 0.443 324 E N -1.011 119.370 120.200 0.302 0.000 2.106 324 E HA -0.156 4.193 4.350 -0.001 0.000 0.192 324 E C 1.732 178.498 176.600 0.278 0.000 0.984 324 E CA 0.948 57.535 56.400 0.311 0.000 0.806 324 E CB -0.429 29.514 29.700 0.404 0.000 0.750 324 E HN 0.679 nan 8.360 nan 0.000 0.458 325 F N 1.844 121.866 119.950 0.120 0.000 2.102 325 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 325 F C 2.382 178.112 175.800 -0.118 0.000 1.105 325 F CA 1.800 59.606 58.000 -0.324 0.000 1.239 325 F CB -0.369 38.454 39.000 -0.296 0.000 0.991 325 F HN -0.063 nan 8.300 nan 0.000 0.474 326 T N 0.575 115.240 114.554 0.185 0.000 2.777 326 T HA -0.199 4.151 4.350 -0.001 0.000 0.266 326 T C 2.097 176.764 174.700 -0.055 0.000 1.040 326 T CA 1.509 63.642 62.100 0.055 0.000 1.141 326 T CB -0.356 68.636 68.868 0.207 0.000 0.868 326 T HN 0.251 nan 8.240 nan 0.000 0.444 327 R N 0.934 121.434 120.500 -0.001 0.000 2.083 327 R HA -0.067 4.272 4.340 -0.001 0.000 0.237 327 R C 2.527 178.767 176.300 -0.101 0.000 1.137 327 R CA 1.454 57.536 56.100 -0.029 0.000 0.951 327 R CB -0.078 30.228 30.300 0.010 0.000 0.851 327 R HN 0.304 nan 8.270 nan 0.000 0.434 328 R N -0.560 119.851 120.500 -0.149 0.000 2.092 328 R HA -0.016 4.323 4.340 -0.001 0.000 0.231 328 R C 2.339 178.463 176.300 -0.294 0.000 1.119 328 R CA 1.304 57.278 56.100 -0.210 0.000 0.970 328 R CB -0.123 30.048 30.300 -0.215 0.000 0.864 328 R HN 0.235 nan 8.270 nan 0.000 0.440 329 M N 0.739 120.079 119.600 -0.434 0.000 2.229 329 M HA -0.119 4.361 4.480 -0.001 0.000 0.264 329 M C 1.590 177.749 176.300 -0.235 0.000 1.063 329 M CA 1.611 56.658 55.300 -0.421 0.000 1.114 329 M CB -0.430 31.806 32.600 -0.606 0.000 1.387 329 M HN 0.026 nan 8.290 nan 0.000 0.420 330 K N -0.579 119.716 120.400 -0.176 0.000 2.432 330 K HA 0.136 4.455 4.320 -0.001 0.000 0.196 330 K C 1.078 177.628 176.600 -0.083 0.000 1.038 330 K CA 0.603 56.827 56.287 -0.104 0.000 0.986 330 K CB -0.025 32.432 32.500 -0.070 0.000 0.782 330 K HN 0.529 nan 8.250 nan 0.000 0.485 331 G N 2.226 110.967 108.800 -0.098 0.000 2.153 331 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.252 331 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.252 331 G C -0.408 174.447 174.900 -0.075 0.000 0.994 331 G CA 0.125 45.180 45.100 -0.075 0.000 0.698 331 G HN 0.383 nan 8.290 nan 0.000 0.521 332 E N -0.008 120.147 120.200 -0.076 0.000 2.366 332 E HA 0.462 4.812 4.350 -0.001 0.000 0.266 332 E C 0.908 177.452 176.600 -0.093 0.000 1.051 332 E CA -0.379 55.980 56.400 -0.068 0.000 0.884 332 E CB 0.447 30.120 29.700 -0.045 0.000 1.006 332 E HN 0.171 nan 8.360 nan 0.000 0.417 333 M N 2.218 121.758 119.600 -0.100 0.000 2.288 333 M HA 0.306 4.786 4.480 -0.001 0.000 0.334 333 M C -2.164 174.088 176.300 -0.080 0.000 1.150 333 M CA -2.643 52.568 55.300 -0.148 0.000 1.118 333 M CB -0.226 32.272 32.600 -0.170 0.000 1.501 333 M HN 0.171 nan 8.290 nan 0.000 0.462 334 P HA 0.069 nan 4.420 nan 0.000 0.268 334 P C 0.576 177.896 177.300 0.034 0.000 1.205 334 P CA 0.051 63.147 63.100 -0.007 0.000 0.771 334 P CB 0.312 32.018 31.700 0.010 0.000 0.858 335 S N 1.177 116.892 115.700 0.025 0.000 2.399 335 S HA -0.197 4.273 4.470 -0.001 0.000 0.231 335 S C 1.073 175.691 174.600 0.029 0.000 1.022 335 S CA 1.515 59.730 58.200 0.024 0.000 0.983 335 S CB -0.801 62.408 63.200 0.016 0.000 0.803 335 S HN 0.583 nan 8.310 nan 0.000 0.480 336 D N -0.358 120.060 120.400 0.030 0.000 2.342 336 D HA 0.113 4.753 4.640 -0.001 0.000 0.221 336 D C 1.078 177.373 176.300 -0.009 0.000 1.101 336 D CA -0.526 53.478 54.000 0.006 0.000 0.837 336 D CB -0.749 40.048 40.800 -0.006 0.000 0.938 336 D HN 0.407 nan 8.370 nan 0.000 0.508 337 F N 1.841 121.727 119.950 -0.107 0.000 2.134 337 F HA -0.140 4.386 4.527 -0.001 0.000 0.299 337 F C 1.729 177.436 175.800 -0.155 0.000 1.097 337 F CA 1.699 59.598 58.000 -0.169 0.000 1.264 337 F CB -0.150 38.717 39.000 -0.222 0.000 1.001 337 F HN -0.052 nan 8.300 nan 0.000 0.479 338 D N 0.188 120.534 120.400 -0.090 0.000 2.092 338 D HA -0.228 4.411 4.640 -0.001 0.000 0.193 338 D C 2.227 178.409 176.300 -0.198 0.000 0.994 338 D CA 1.768 55.684 54.000 -0.140 0.000 0.828 338 D CB -0.424 40.368 40.800 -0.014 0.000 0.963 338 D HN 0.307 nan 8.370 nan 0.000 0.450 339 A N 0.185 122.925 122.820 -0.134 0.000 1.902 339 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 339 A C 2.173 179.673 177.584 -0.140 0.000 1.181 339 A CA 1.670 53.644 52.037 -0.105 0.000 0.623 339 A CB -0.503 18.460 19.000 -0.062 0.000 0.818 339 A HN 0.236 nan 8.150 nan 0.000 0.443 340 K N -0.505 119.769 120.400 -0.210 0.000 2.057 340 K HA 0.007 4.326 4.320 -0.001 0.000 0.206 340 K C 2.310 178.771 176.600 -0.232 0.000 1.050 340 K CA 1.007 57.173 56.287 -0.202 0.000 0.935 340 K CB -0.272 32.104 32.500 -0.207 0.000 0.715 340 K HN 0.436 nan 8.250 nan 0.000 0.439 341 A N 1.851 124.374 122.820 -0.496 0.000 1.930 341 A HA -0.160 4.160 4.320 -0.001 0.000 0.217 341 A C 1.875 179.443 177.584 -0.027 0.000 1.175 341 A CA 1.338 53.171 52.037 -0.340 0.000 0.627 341 A CB -0.226 18.262 19.000 -0.853 0.000 0.815 341 A HN 0.158 nan 8.150 nan 0.000 0.443 342 K N -0.520 119.823 120.400 -0.094 0.000 2.063 342 K HA -0.203 4.117 4.320 -0.001 0.000 0.208 342 K C 2.097 178.695 176.600 -0.003 0.000 1.048 342 K CA 1.569 57.838 56.287 -0.030 0.000 0.928 342 K CB -0.148 32.325 32.500 -0.046 0.000 0.713 342 K HN 0.710 nan 8.250 nan 0.000 0.442 343 E N 0.280 120.480 120.200 -0.000 0.000 2.085 343 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 343 E C 1.858 178.505 176.600 0.077 0.000 0.994 343 E CA 1.056 57.471 56.400 0.024 0.000 0.801 343 E CB -0.104 29.606 29.700 0.017 0.000 0.743 343 E HN 0.236 nan 8.360 nan 0.000 0.453 344 F N 1.206 121.135 119.950 -0.036 0.000 2.113 344 F HA -0.125 4.402 4.527 -0.001 0.000 0.297 344 F C 1.906 177.700 175.800 -0.011 0.000 1.103 344 F CA 1.386 59.378 58.000 -0.014 0.000 1.248 344 F CB -0.336 38.676 39.000 0.021 0.000 0.999 344 F HN -0.002 nan 8.300 nan 0.000 0.475 345 I N 0.504 121.007 120.570 -0.110 0.000 2.163 345 I HA -0.351 3.819 4.170 -0.001 0.000 0.243 345 I C 2.710 178.717 176.117 -0.185 0.000 1.085 345 I CA 1.457 62.636 61.300 -0.201 0.000 1.347 345 I CB -1.003 36.975 38.000 -0.037 0.000 1.044 345 I HN 0.253 nan 8.210 nan 0.000 0.408 346 A N 0.338 123.096 122.820 -0.103 0.000 1.933 346 A HA -0.265 4.054 4.320 -0.001 0.000 0.218 346 A C 2.397 179.922 177.584 -0.099 0.000 1.175 346 A CA 1.864 53.852 52.037 -0.081 0.000 0.628 346 A CB -0.543 18.430 19.000 -0.045 0.000 0.814 346 A HN 0.358 nan 8.150 nan 0.000 0.444 347 K N -0.261 120.069 120.400 -0.116 0.000 2.057 347 K HA -0.087 4.232 4.320 -0.001 0.000 0.207 347 K C 1.899 178.404 176.600 -0.159 0.000 1.049 347 K CA 1.417 57.640 56.287 -0.107 0.000 0.931 347 K CB -0.319 32.143 32.500 -0.063 0.000 0.714 347 K HN 0.513 nan 8.250 nan 0.000 0.440 348 L N 0.618 121.668 121.223 -0.288 0.000 2.046 348 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 348 L C 2.740 179.517 176.870 -0.155 0.000 1.077 348 L CA 1.261 55.940 54.840 -0.269 0.000 0.747 348 L CB -0.506 41.308 42.059 -0.409 0.000 0.896 348 L HN 0.285 nan 8.230 nan 0.000 0.432 349 Q N 0.447 120.165 119.800 -0.135 0.000 2.124 349 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 349 Q C 2.074 178.037 176.000 -0.061 0.000 0.977 349 Q CA 1.910 57.663 55.803 -0.084 0.000 0.850 349 Q CB -0.181 28.514 28.738 -0.071 0.000 0.901 349 Q HN 0.440 nan 8.270 nan 0.000 0.429 350 A N -0.298 122.484 122.820 -0.063 0.000 2.119 350 A HA 0.037 4.356 4.320 -0.001 0.000 0.216 350 A C 0.402 177.962 177.584 -0.038 0.000 1.152 350 A CA 0.554 52.565 52.037 -0.043 0.000 0.708 350 A CB 0.060 19.038 19.000 -0.037 0.000 0.805 350 A HN 0.347 nan 8.150 nan 0.000 0.460 351 N N 0.918 119.588 118.700 -0.050 0.000 2.790 351 N HA 0.254 4.993 4.740 -0.001 0.000 0.256 351 N C -3.202 172.282 175.510 -0.043 0.000 1.409 351 N CA -0.943 52.083 53.050 -0.040 0.000 0.799 351 N CB 1.064 39.528 38.487 -0.038 0.000 1.170 351 N HN 0.074 nan 8.380 nan 0.000 0.507 352 P HA 0.131 nan 4.420 nan 0.000 0.266 352 P C -0.907 176.378 177.300 -0.026 0.000 1.195 352 P CA 0.040 63.121 63.100 -0.032 0.000 0.768 352 P CB 0.799 32.485 31.700 -0.023 0.000 0.838 353 A N 2.428 125.233 122.820 -0.026 0.000 2.459 353 A HA 0.486 4.806 4.320 -0.001 0.000 0.296 353 A C -0.774 176.802 177.584 -0.014 0.000 1.039 353 A CA -0.749 51.278 52.037 -0.017 0.000 0.698 353 A CB 1.160 20.151 19.000 -0.014 0.000 1.261 353 A HN 0.440 nan 8.150 nan 0.000 0.405 354 K N 3.410 123.804 120.400 -0.011 0.000 2.257 354 K HA 0.589 4.908 4.320 -0.001 0.000 0.270 354 K C -0.621 175.977 176.600 -0.005 0.000 1.098 354 K CA -0.180 56.101 56.287 -0.011 0.000 0.943 354 K CB -0.189 32.303 32.500 -0.013 0.000 1.316 354 K HN 0.713 nan 8.250 nan 0.000 0.447 355 I N -0.184 120.385 120.570 -0.002 0.000 3.074 355 I HA 0.630 4.800 4.170 -0.001 0.000 0.310 355 I C -0.506 175.616 176.117 0.008 0.000 1.153 355 I CA -1.517 59.786 61.300 0.006 0.000 0.993 355 I CB 1.895 39.903 38.000 0.013 0.000 1.237 355 I HN 0.399 nan 8.210 nan 0.000 0.443 356 A N 1.971 124.798 122.820 0.012 0.000 2.445 356 A HA 0.339 4.659 4.320 -0.001 0.000 0.242 356 A C 1.292 178.893 177.584 0.029 0.000 1.075 356 A CA 0.253 52.296 52.037 0.010 0.000 0.777 356 A CB 0.216 19.217 19.000 0.001 0.000 1.013 356 A HN 1.016 nan 8.150 nan 0.000 0.493 357 S N 1.911 117.631 115.700 0.034 0.000 2.442 357 S HA -0.244 4.225 4.470 -0.001 0.000 0.236 357 S C 1.721 176.374 174.600 0.089 0.000 1.007 357 S CA 1.138 59.375 58.200 0.062 0.000 0.965 357 S CB -0.492 62.749 63.200 0.069 0.000 0.773 357 S HN 0.898 nan 8.310 nan 0.000 0.504 358 R N 1.570 122.120 120.500 0.084 0.000 2.096 358 R HA 0.022 4.361 4.340 -0.001 0.000 0.235 358 R C 2.147 178.512 176.300 0.108 0.000 1.127 358 R CA 1.533 57.706 56.100 0.122 0.000 0.968 358 R CB -0.429 29.956 30.300 0.141 0.000 0.861 358 R HN 0.358 nan 8.270 nan 0.000 0.440 359 K N 1.149 121.596 120.400 0.078 0.000 2.062 359 K HA 0.067 4.386 4.320 -0.001 0.000 0.205 359 K C 2.140 178.772 176.600 0.053 0.000 1.051 359 K CA 1.493 57.818 56.287 0.063 0.000 0.941 359 K CB -0.404 32.125 32.500 0.049 0.000 0.719 359 K HN 0.283 nan 8.250 nan 0.000 0.440 360 A N -0.012 122.842 122.820 0.057 0.000 1.940 360 A HA -0.197 4.122 4.320 -0.001 0.000 0.219 360 A C 2.295 179.916 177.584 0.062 0.000 1.176 360 A CA 2.281 54.353 52.037 0.058 0.000 0.631 360 A CB -1.131 17.905 19.000 0.061 0.000 0.814 360 A HN 0.441 nan 8.150 nan 0.000 0.446 361 S N -0.956 114.811 115.700 0.112 0.000 2.348 361 S HA -0.273 4.196 4.470 -0.001 0.000 0.221 361 S C 2.239 176.791 174.600 -0.079 0.000 1.033 361 S CA 1.787 60.093 58.200 0.176 0.000 1.010 361 S CB -0.414 62.971 63.200 0.308 0.000 0.891 361 S HN 0.691 nan 8.310 nan 0.000 0.442 362 Q N 0.444 120.230 119.800 -0.023 0.000 2.112 362 Q HA -0.185 4.154 4.340 -0.001 0.000 0.206 362 Q C 1.741 177.649 176.000 -0.153 0.000 0.987 362 Q CA 1.934 57.693 55.803 -0.074 0.000 0.858 362 Q CB -0.262 28.489 28.738 0.022 0.000 0.905 362 Q HN 0.538 nan 8.270 nan 0.000 0.420 363 N N 0.182 118.826 118.700 -0.094 0.000 2.166 363 N HA -0.136 4.604 4.740 -0.001 0.000 0.186 363 N C 1.465 176.813 175.510 -0.270 0.000 1.019 363 N CA 1.324 54.331 53.050 -0.073 0.000 0.856 363 N CB -0.427 38.108 38.487 0.080 0.000 0.993 363 N HN 0.360 nan 8.380 nan 0.000 0.426 364 A N 1.059 123.621 122.820 -0.430 0.000 1.897 364 A HA 0.003 4.322 4.320 -0.001 0.000 0.215 364 A C 2.293 179.074 177.584 -1.340 0.000 1.181 364 A CA 0.674 52.135 52.037 -0.960 0.000 0.620 364 A CB -0.574 17.855 19.000 -0.953 0.000 0.821 364 A HN 0.189 nan 8.150 nan 0.000 0.443 365 I N -0.460 119.410 120.570 -1.168 0.000 2.163 365 I HA -0.283 3.887 4.170 -0.001 0.000 0.243 365 I C 2.549 178.219 176.117 -0.743 0.000 1.085 365 I CA 1.930 62.623 61.300 -1.013 0.000 1.347 365 I CB -0.346 37.155 38.000 -0.832 0.000 1.044 365 I HN 0.418 nan 8.210 nan 0.000 0.408 366 E N 1.434 121.349 120.200 -0.475 0.000 2.077 366 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 366 E C 2.118 178.489 176.600 -0.382 0.000 0.989 366 E CA 1.791 58.044 56.400 -0.245 0.000 0.800 366 E CB -0.185 29.486 29.700 -0.048 0.000 0.746 366 E HN 0.429 nan 8.360 nan 0.000 0.452 367 A N -0.311 122.158 122.820 -0.586 0.000 1.930 367 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 367 A C 1.895 179.319 177.584 -0.267 0.000 1.175 367 A CA 1.326 52.982 52.037 -0.635 0.000 0.627 367 A CB -0.643 17.412 19.000 -1.574 0.000 0.815 367 A HN 0.357 nan 8.150 nan 0.000 0.443 368 F N 0.114 119.765 119.950 -0.499 0.000 2.416 368 F HA 0.137 4.664 4.527 -0.001 0.000 0.296 368 F C 2.522 178.065 175.800 -0.430 0.000 1.099 368 F CA -0.119 57.705 58.000 -0.294 0.000 1.427 368 F CB -1.477 37.440 39.000 -0.138 0.000 1.079 368 F HN 0.257 nan 8.300 nan 0.000 0.536 369 G N 1.873 110.346 108.800 -0.546 0.000 2.553 369 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.218 369 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.218 369 G C -0.584 174.024 174.900 -0.486 0.000 1.195 369 G CA 0.820 45.251 45.100 -1.114 0.000 0.779 369 G HN 0.221 nan 8.290 nan 0.000 0.577 370 P HA 0.020 nan 4.420 nan 0.000 0.222 370 P C 1.771 179.069 177.300 -0.004 0.000 1.147 370 P CA 0.702 63.831 63.100 0.049 0.000 0.790 370 P CB -0.060 31.685 31.700 0.076 0.000 0.780 371 L N -2.271 118.911 121.223 -0.068 0.000 2.307 371 L HA 0.079 4.418 4.340 -0.001 0.000 0.211 371 L C 1.055 177.840 176.870 -0.141 0.000 1.099 371 L CA 0.531 55.346 54.840 -0.041 0.000 0.816 371 L CB -0.262 41.834 42.059 0.063 0.000 0.952 371 L HN -0.086 nan 8.230 nan 0.000 0.455 372 L N 1.887 122.927 121.223 -0.303 0.000 2.502 372 L HA 0.250 4.590 4.340 -0.001 0.000 0.247 372 L C -1.532 175.164 176.870 -0.290 0.000 1.180 372 L CA -1.141 53.410 54.840 -0.482 0.000 0.956 372 L CB 0.997 42.422 42.059 -1.057 0.000 1.282 372 L HN -0.152 nan 8.230 nan 0.000 0.470 373 P HA -0.182 nan 4.420 nan 0.000 0.228 373 P C 0.986 178.368 177.300 0.136 0.000 1.151 373 P CA 0.983 64.132 63.100 0.082 0.000 0.770 373 P CB 0.219 31.964 31.700 0.076 0.000 0.786 374 E N -0.904 119.326 120.200 0.050 0.000 2.418 374 E HA -0.112 4.237 4.350 -0.001 0.000 0.197 374 E C 0.314 177.135 176.600 0.369 0.000 1.026 374 E CA 0.017 56.494 56.400 0.129 0.000 0.862 374 E CB -0.773 28.928 29.700 0.003 0.000 0.799 374 E HN 0.115 nan 8.360 nan 0.000 0.518 375 F N 1.716 121.811 119.950 0.242 0.000 2.612 375 F HA 0.017 4.544 4.527 -0.001 0.000 0.389 375 F C 0.576 176.525 175.800 0.249 0.000 1.055 375 F CA -0.280 57.888 58.000 0.279 0.000 1.232 375 F CB 0.213 39.409 39.000 0.327 0.000 1.044 375 F HN 0.002 nan 8.300 nan 0.000 0.560 376 L N 4.920 126.330 121.223 0.311 0.000 2.417 376 L HA 0.602 4.941 4.340 -0.001 0.000 0.259 376 L C -0.091 176.583 176.870 -0.327 0.000 1.023 376 L CA -0.091 54.732 54.840 -0.029 0.000 0.901 376 L CB 0.769 42.689 42.059 -0.232 0.000 1.227 376 L HN 0.524 nan 8.230 nan 0.000 0.454 377 G N 1.296 109.699 108.800 -0.660 0.000 2.491 377 G HA2 0.824 4.783 3.960 -0.001 0.000 0.327 377 G HA3 0.824 4.783 3.960 -0.001 0.000 0.327 377 G C -0.528 173.713 174.900 -1.099 0.000 1.189 377 G CA -0.203 43.978 45.100 -1.532 0.000 0.956 377 G HN 0.928 nan 8.290 nan 0.000 0.491 378 G N -1.764 106.535 108.800 -0.835 0.000 2.441 378 G HA2 0.573 4.532 3.960 -0.001 0.000 0.294 378 G HA3 0.573 4.532 3.960 -0.001 0.000 0.294 378 G C -1.417 173.444 174.900 -0.064 0.000 1.393 378 G CA 0.385 45.043 45.100 -0.737 0.000 0.796 378 G HN 1.295 nan 8.290 nan 0.000 0.494 379 S N -1.514 114.235 115.700 0.082 0.000 2.549 379 S HA 0.686 5.155 4.470 -0.001 0.000 0.280 379 S C 0.010 174.713 174.600 0.172 0.000 1.109 379 S CA 0.390 58.690 58.200 0.166 0.000 0.905 379 S CB 1.549 64.884 63.200 0.225 0.000 1.081 379 S HN 2.018 nan 8.310 nan 0.000 0.477 380 A N 3.132 125.995 122.820 0.071 0.000 3.037 380 A HA 0.441 4.760 4.320 -0.001 0.000 0.272 380 A C 0.515 178.096 177.584 -0.006 0.000 1.723 380 A CA 0.394 52.453 52.037 0.036 0.000 1.413 380 A CB -1.506 17.466 19.000 -0.047 0.000 1.112 380 A HN 1.184 nan 8.150 nan 0.000 0.606 381 D N -0.324 120.116 120.400 0.068 0.000 2.837 381 D HA -0.170 4.470 4.640 -0.001 0.000 0.230 381 D C -0.015 176.282 176.300 -0.006 0.000 1.152 381 D CA 1.400 55.428 54.000 0.046 0.000 0.736 381 D CB -1.430 39.365 40.800 -0.008 0.000 1.084 381 D HN 0.515 nan 8.370 nan 0.000 0.429 382 L N -1.253 119.974 121.223 0.007 0.000 3.366 382 L HA 0.529 4.869 4.340 -0.001 0.000 0.304 382 L C 2.090 179.014 176.870 0.090 0.000 1.292 382 L CA 0.181 54.999 54.840 -0.036 0.000 1.012 382 L CB 0.064 41.967 42.059 -0.260 0.000 1.414 382 L HN 0.157 nan 8.230 nan 0.000 0.603 383 A N 1.756 124.674 122.820 0.162 0.000 1.903 383 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 383 A C -0.313 177.358 177.584 0.146 0.000 1.191 383 A CA 2.046 54.200 52.037 0.194 0.000 0.638 383 A CB -1.455 17.662 19.000 0.194 0.000 0.823 383 A HN 0.335 nan 8.150 nan 0.000 0.451 384 P HA 0.050 nan 4.420 nan 0.000 0.241 384 P C 1.080 178.475 177.300 0.158 0.000 1.191 384 P CA 1.463 64.632 63.100 0.116 0.000 0.771 384 P CB 0.457 32.212 31.700 0.093 0.000 0.929 385 S N -0.508 115.309 115.700 0.195 0.000 2.641 385 S HA 0.119 4.588 4.470 -0.001 0.000 0.239 385 S C 1.651 176.482 174.600 0.386 0.000 1.081 385 S CA 0.182 58.568 58.200 0.311 0.000 0.904 385 S CB -0.648 62.758 63.200 0.343 0.000 0.803 385 S HN 0.065 nan 8.310 nan 0.000 0.510 386 N N 1.208 120.082 118.700 0.290 0.000 2.331 386 N HA 0.220 4.959 4.740 -0.001 0.000 0.180 386 N C -0.287 175.372 175.510 0.248 0.000 1.019 386 N CA 0.736 53.964 53.050 0.296 0.000 0.881 386 N CB -0.087 38.541 38.487 0.235 0.000 0.972 386 N HN 0.264 nan 8.380 nan 0.000 0.435 387 L N 0.569 121.919 121.223 0.212 0.000 3.472 387 L HA -0.184 4.155 4.340 -0.001 0.000 0.485 387 L C 0.539 177.514 176.870 0.175 0.000 1.312 387 L CA 0.050 54.990 54.840 0.168 0.000 0.869 387 L CB -2.251 39.894 42.059 0.144 0.000 1.687 387 L HN 0.367 nan 8.230 nan 0.000 0.853 388 T N -4.052 110.646 114.554 0.241 0.000 3.060 388 T HA 0.341 4.690 4.350 -0.001 0.000 0.249 388 T C 0.683 175.627 174.700 0.406 0.000 1.079 388 T CA -0.155 62.169 62.100 0.372 0.000 1.013 388 T CB 0.267 69.480 68.868 0.576 0.000 0.975 388 T HN 0.307 nan 8.240 nan 0.000 0.518 389 L N 3.227 124.552 121.223 0.170 0.000 2.326 389 L HA 0.482 4.821 4.340 -0.001 0.000 0.278 389 L C 0.288 177.255 176.870 0.161 0.000 1.092 389 L CA -1.197 53.653 54.840 0.016 0.000 0.810 389 L CB 0.607 42.552 42.059 -0.189 0.000 1.153 389 L HN 0.449 nan 8.230 nan 0.000 0.439 390 W N 1.249 122.529 121.300 -0.033 0.000 2.869 390 W HA 0.388 5.047 4.660 -0.001 0.000 0.345 390 W C 0.957 177.458 176.519 -0.029 0.000 1.191 390 W CA -0.600 56.726 57.345 -0.032 0.000 1.104 390 W CB 0.545 29.990 29.460 -0.025 0.000 1.471 390 W HN 0.629 nan 8.180 nan 0.000 0.612 391 S N -0.079 115.604 115.700 -0.027 0.000 2.419 391 S HA -0.081 4.388 4.470 -0.001 0.000 0.235 391 S C 1.614 175.839 174.600 -0.625 0.000 1.019 391 S CA 1.509 59.573 58.200 -0.227 0.000 0.982 391 S CB -0.974 62.206 63.200 -0.034 0.000 0.789 391 S HN 0.801 nan 8.310 nan 0.000 0.490 392 G N 0.525 108.390 108.800 -1.557 0.000 3.088 392 G HA2 0.300 4.260 3.960 -0.001 0.000 0.217 392 G HA3 0.300 4.260 3.960 -0.001 0.000 0.217 392 G C 0.121 174.223 174.900 -1.330 0.000 1.159 392 G CA -0.369 43.704 45.100 -1.713 0.000 0.760 392 G HN 0.457 nan 8.290 nan 0.000 0.550 393 S N 0.679 115.633 115.700 -1.243 0.000 2.537 393 S HA 0.296 4.765 4.470 -0.001 0.000 0.286 393 S C 0.021 174.433 174.600 -0.313 0.000 1.299 393 S CA 0.394 58.270 58.200 -0.540 0.000 1.067 393 S CB 0.815 63.757 63.200 -0.430 0.000 0.864 393 S HN 0.326 nan 8.310 nan 0.000 0.494 394 K N 1.994 122.320 120.400 -0.122 0.000 2.545 394 K HA 0.475 4.795 4.320 -0.001 0.000 0.252 394 K C -0.667 175.942 176.600 0.015 0.000 0.948 394 K CA -0.466 55.779 56.287 -0.070 0.000 0.827 394 K CB 1.849 34.317 32.500 -0.053 0.000 1.128 394 K HN 0.624 nan 8.250 nan 0.000 0.429 395 A N 3.227 126.062 122.820 0.025 0.000 2.450 395 A HA 0.160 4.479 4.320 -0.001 0.000 0.255 395 A C 1.202 178.808 177.584 0.035 0.000 1.096 395 A CA -0.344 51.748 52.037 0.093 0.000 0.778 395 A CB -0.466 18.653 19.000 0.198 0.000 1.031 395 A HN 0.993 nan 8.150 nan 0.000 0.494 396 I N 1.099 121.661 120.570 -0.013 0.000 2.830 396 I HA -0.143 4.027 4.170 -0.001 0.000 0.263 396 I C 1.630 177.718 176.117 -0.049 0.000 1.230 396 I CA 1.413 62.681 61.300 -0.054 0.000 1.480 396 I CB -0.418 37.511 38.000 -0.118 0.000 1.095 396 I HN 0.734 nan 8.210 nan 0.000 0.455 397 N N 1.574 120.261 118.700 -0.021 0.000 2.459 397 N HA -0.178 4.561 4.740 -0.001 0.000 0.181 397 N C 1.286 176.786 175.510 -0.018 0.000 1.046 397 N CA 1.134 54.169 53.050 -0.024 0.000 0.904 397 N CB -0.201 38.282 38.487 -0.007 0.000 0.964 397 N HN 0.639 nan 8.380 nan 0.000 0.444 398 E N -0.386 119.812 120.200 -0.004 0.000 2.244 398 E HA 0.034 4.383 4.350 -0.001 0.000 0.196 398 E C -0.511 176.077 176.600 -0.019 0.000 0.939 398 E CA 0.259 56.652 56.400 -0.011 0.000 0.884 398 E CB 0.414 30.113 29.700 -0.003 0.000 0.850 398 E HN 0.175 nan 8.360 nan 0.000 0.481 399 D N -0.664 119.724 120.400 -0.019 0.000 2.479 399 D HA 0.247 4.886 4.640 -0.001 0.000 0.246 399 D C 0.137 176.423 176.300 -0.023 0.000 1.336 399 D CA -0.278 53.709 54.000 -0.022 0.000 0.967 399 D CB 1.437 42.225 40.800 -0.020 0.000 1.275 399 D HN 0.001 nan 8.370 nan 0.000 0.577 400 A N 3.140 125.943 122.820 -0.029 0.000 2.076 400 A HA 0.035 4.355 4.320 -0.001 0.000 0.220 400 A C 1.764 179.341 177.584 -0.012 0.000 1.160 400 A CA 1.732 53.749 52.037 -0.034 0.000 0.653 400 A CB -0.195 18.781 19.000 -0.039 0.000 0.801 400 A HN 0.595 nan 8.150 nan 0.000 0.455 401 A N -0.467 122.352 122.820 -0.001 0.000 2.302 401 A HA 0.496 4.815 4.320 -0.001 0.000 0.219 401 A C 1.321 178.928 177.584 0.039 0.000 1.243 401 A CA 0.583 52.632 52.037 0.021 0.000 0.856 401 A CB -0.881 18.117 19.000 -0.003 0.000 0.893 401 A HN 0.640 nan 8.150 nan 0.000 0.491 402 G N 0.343 109.158 108.800 0.025 0.000 2.525 402 G HA2 0.297 4.257 3.960 -0.001 0.000 0.276 402 G HA3 0.297 4.257 3.960 -0.001 0.000 0.276 402 G C 0.313 175.260 174.900 0.079 0.000 1.388 402 G CA 0.292 45.415 45.100 0.038 0.000 1.050 402 G HN 0.590 nan 8.290 nan 0.000 0.520 403 N N -3.069 115.691 118.700 0.100 0.000 2.142 403 N HA 0.111 4.851 4.740 -0.001 0.000 0.233 403 N C -0.980 174.596 175.510 0.108 0.000 1.335 403 N CA -0.499 52.648 53.050 0.161 0.000 0.837 403 N CB 0.097 38.777 38.487 0.321 0.000 1.238 403 N HN 0.453 nan 8.380 nan 0.000 0.501 404 Y N 0.672 120.906 120.300 -0.110 0.000 2.457 404 Y HA 0.651 5.200 4.550 -0.001 0.000 0.343 404 Y C -1.473 174.244 175.900 -0.306 0.000 0.994 404 Y CA -1.103 56.873 58.100 -0.206 0.000 1.031 404 Y CB 1.562 39.911 38.460 -0.186 0.000 1.246 404 Y HN -0.031 nan 8.280 nan 0.000 0.449 405 I N 5.766 125.757 120.570 -0.964 0.000 2.418 405 I HA 0.245 4.414 4.170 -0.001 0.000 0.287 405 I C -0.780 174.848 176.117 -0.815 0.000 1.008 405 I CA -0.856 59.953 61.300 -0.818 0.000 1.104 405 I CB 1.237 38.549 38.000 -1.146 0.000 1.264 405 I HN 0.567 nan 8.210 nan 0.000 0.438 406 H N 6.872 125.797 119.070 -0.242 0.000 3.089 406 H HA 0.079 4.635 4.556 -0.001 0.000 0.262 406 H C -0.062 175.167 175.328 -0.166 0.000 1.160 406 H CA 0.280 56.292 56.048 -0.060 0.000 1.482 406 H CB 0.467 30.247 29.762 0.032 0.000 1.511 406 H HN 0.568 nan 8.280 nan 0.000 0.483 407 Y N 1.924 122.210 120.300 -0.024 0.000 2.561 407 Y HA -0.003 4.546 4.550 -0.001 0.000 0.291 407 Y C 1.932 177.809 175.900 -0.038 0.000 1.141 407 Y CA 0.867 58.931 58.100 -0.060 0.000 1.303 407 Y CB 0.253 38.659 38.460 -0.090 0.000 1.015 407 Y HN 0.968 nan 8.280 nan 0.000 0.547 408 G N -0.117 108.762 108.800 0.131 0.000 2.752 408 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.234 408 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.234 408 G C -0.487 174.431 174.900 0.029 0.000 1.367 408 G CA -0.406 44.728 45.100 0.056 0.000 0.879 408 G HN 0.037 nan 8.290 nan 0.000 0.563 409 V N 1.387 121.291 119.914 -0.017 0.000 2.071 409 V HA 0.426 4.545 4.120 -0.001 0.000 0.254 409 V C 0.971 177.039 176.094 -0.044 0.000 1.456 409 V CA 0.814 63.074 62.300 -0.066 0.000 1.383 409 V CB -0.687 31.078 31.823 -0.096 0.000 1.433 409 V HN 0.556 nan 8.190 nan 0.000 0.499 410 R N 1.777 122.264 120.500 -0.021 0.000 2.655 410 R HA 0.279 4.619 4.340 -0.001 0.000 0.261 410 R C 0.253 176.561 176.300 0.015 0.000 1.624 410 R CA -0.345 55.762 56.100 0.012 0.000 1.655 410 R CB 0.884 31.186 30.300 0.003 0.000 1.356 410 R HN 0.407 nan 8.270 nan 0.000 0.684 411 E N 0.543 120.763 120.200 0.034 0.000 2.077 411 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 411 E C 1.139 177.828 176.600 0.150 0.000 0.989 411 E CA 1.180 57.609 56.400 0.048 0.000 0.800 411 E CB -0.033 29.698 29.700 0.051 0.000 0.746 411 E HN 0.293 nan 8.360 nan 0.000 0.452 412 F N 1.013 120.982 119.950 0.031 0.000 2.084 412 F HA 0.041 4.567 4.527 -0.001 0.000 0.296 412 F C 2.223 178.011 175.800 -0.020 0.000 1.111 412 F CA 1.579 59.593 58.000 0.024 0.000 1.224 412 F CB -1.010 38.019 39.000 0.047 0.000 0.991 412 F HN 0.062 nan 8.300 nan 0.000 0.471 413 G N 0.635 109.443 108.800 0.014 0.000 2.440 413 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.218 413 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.218 413 G C 1.815 176.656 174.900 -0.097 0.000 1.154 413 G CA 0.995 46.024 45.100 -0.118 0.000 0.767 413 G HN 0.461 nan 8.290 nan 0.000 0.552 414 M N 0.635 120.142 119.600 -0.154 0.000 2.082 414 M HA -0.132 4.347 4.480 -0.001 0.000 0.258 414 M C 2.497 178.559 176.300 -0.396 0.000 1.069 414 M CA 2.383 57.355 55.300 -0.546 0.000 1.102 414 M CB -0.481 31.623 32.600 -0.825 0.000 1.336 414 M HN 0.200 nan 8.290 nan 0.000 0.404 415 T N 0.804 115.264 114.554 -0.157 0.000 2.777 415 T HA 0.019 4.369 4.350 -0.001 0.000 0.266 415 T C 1.837 176.533 174.700 -0.006 0.000 1.040 415 T CA 1.439 63.514 62.100 -0.043 0.000 1.141 415 T CB -0.474 68.452 68.868 0.097 0.000 0.868 415 T HN 0.609 nan 8.240 nan 0.000 0.444 416 A N 0.890 123.706 122.820 -0.007 0.000 1.968 416 A HA 0.113 4.432 4.320 -0.001 0.000 0.217 416 A C 2.260 179.828 177.584 -0.028 0.000 1.169 416 A CA 0.742 52.763 52.037 -0.027 0.000 0.638 416 A CB -0.687 18.237 19.000 -0.126 0.000 0.812 416 A HN 0.486 nan 8.150 nan 0.000 0.446 417 I N -0.121 120.429 120.570 -0.034 0.000 2.163 417 I HA -0.314 3.855 4.170 -0.001 0.000 0.243 417 I C 2.973 179.103 176.117 0.022 0.000 1.085 417 I CA 1.159 62.467 61.300 0.013 0.000 1.347 417 I CB -0.284 37.775 38.000 0.098 0.000 1.044 417 I HN 0.363 nan 8.210 nan 0.000 0.408 418 A N 0.823 123.644 122.820 0.003 0.000 1.940 418 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 418 A C 2.009 179.612 177.584 0.031 0.000 1.176 418 A CA 1.946 53.990 52.037 0.013 0.000 0.631 418 A CB -0.697 18.287 19.000 -0.027 0.000 0.814 418 A HN 0.430 nan 8.150 nan 0.000 0.446 419 N N 0.358 119.076 118.700 0.030 0.000 2.104 419 N HA -0.137 4.603 4.740 -0.001 0.000 0.190 419 N C 1.835 177.377 175.510 0.054 0.000 1.024 419 N CA 1.593 54.671 53.050 0.046 0.000 0.853 419 N CB -0.950 37.564 38.487 0.045 0.000 1.008 419 N HN 0.480 nan 8.380 nan 0.000 0.424 420 G N 1.207 110.032 108.800 0.043 0.000 2.440 420 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.218 420 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.218 420 G C 1.674 176.625 174.900 0.085 0.000 1.154 420 G CA 0.532 45.665 45.100 0.055 0.000 0.767 420 G HN 0.288 nan 8.290 nan 0.000 0.552 421 I N 1.715 122.318 120.570 0.055 0.000 2.179 421 I HA -0.220 3.949 4.170 -0.001 0.000 0.242 421 I C 3.222 179.437 176.117 0.163 0.000 1.088 421 I CA 1.604 62.941 61.300 0.062 0.000 1.357 421 I CB -0.254 37.725 38.000 -0.035 0.000 1.051 421 I HN 0.352 nan 8.210 nan 0.000 0.409 422 S N 1.205 116.981 115.700 0.127 0.000 2.368 422 S HA -0.134 4.336 4.470 -0.001 0.000 0.225 422 S C 2.003 176.675 174.600 0.119 0.000 1.030 422 S CA 0.933 59.211 58.200 0.130 0.000 0.999 422 S CB -0.909 62.349 63.200 0.097 0.000 0.844 422 S HN 0.396 nan 8.310 nan 0.000 0.459 423 L N 0.929 122.217 121.223 0.108 0.000 2.141 423 L HA -0.093 4.246 4.340 -0.001 0.000 0.209 423 L C 3.035 179.955 176.870 0.084 0.000 1.094 423 L CA 1.593 56.482 54.840 0.082 0.000 0.763 423 L CB -0.726 41.376 42.059 0.071 0.000 0.908 423 L HN 0.504 nan 8.230 nan 0.000 0.437 424 H N 0.606 119.707 119.070 0.052 0.000 2.387 424 H HA -0.026 4.530 4.556 -0.001 0.000 0.299 424 H C 0.840 176.173 175.328 0.010 0.000 1.090 424 H CA 1.189 57.266 56.048 0.048 0.000 1.332 424 H CB 0.204 30.036 29.762 0.116 0.000 1.386 424 H HN 0.305 nan 8.280 nan 0.000 0.516 425 G N -2.139 106.752 108.800 0.152 0.000 2.692 425 G HA2 0.130 4.089 3.960 -0.001 0.000 0.686 425 G HA3 0.130 4.089 3.960 -0.001 0.000 0.686 425 G C 0.695 175.635 174.900 0.067 0.000 1.243 425 G CA 0.262 45.378 45.100 0.026 0.000 0.782 425 G HN 1.024 nan 8.290 nan 0.000 0.625 426 G N -1.110 107.597 108.800 -0.155 0.000 2.232 426 G HA2 0.079 4.038 3.960 -0.001 0.000 0.226 426 G HA3 0.079 4.038 3.960 -0.001 0.000 0.226 426 G C 0.285 174.809 174.900 -0.626 0.000 0.996 426 G CA 0.809 45.635 45.100 -0.457 0.000 0.626 426 G HN 1.693 nan 8.290 nan 0.000 0.509 427 F N -0.737 119.245 119.950 0.053 0.000 2.620 427 F HA 0.799 5.325 4.527 -0.001 0.000 0.320 427 F C 0.022 175.874 175.800 0.086 0.000 1.069 427 F CA -1.070 56.979 58.000 0.082 0.000 0.953 427 F CB 2.037 41.084 39.000 0.079 0.000 1.322 427 F HN 0.050 nan 8.300 nan 0.000 0.479 428 L N 4.639 126.086 121.223 0.374 0.000 2.401 428 L HA 0.517 4.856 4.340 -0.001 0.000 0.263 428 L C -2.718 174.383 176.870 0.385 0.000 1.004 428 L CA -1.886 53.147 54.840 0.322 0.000 0.881 428 L CB 1.658 43.896 42.059 0.300 0.000 1.219 428 L HN 0.239 nan 8.230 nan 0.000 0.441 429 P HA 0.227 nan 4.420 nan 0.000 0.284 429 P C -1.777 175.640 177.300 0.194 0.000 1.253 429 P CA -0.013 63.172 63.100 0.142 0.000 0.800 429 P CB 0.878 32.623 31.700 0.075 0.000 0.961 430 Y N -0.549 119.793 120.300 0.070 0.000 2.485 430 Y HA 0.798 5.348 4.550 -0.001 0.000 0.345 430 Y C -0.265 175.623 175.900 -0.021 0.000 0.998 430 Y CA -1.040 57.067 58.100 0.011 0.000 1.059 430 Y CB 1.312 39.812 38.460 0.066 0.000 1.234 430 Y HN 0.472 nan 8.280 nan 0.000 0.461 431 T N -0.397 114.222 114.554 0.108 0.000 2.916 431 T HA 0.799 5.148 4.350 -0.001 0.000 0.292 431 T C -0.843 173.882 174.700 0.042 0.000 1.064 431 T CA -0.869 61.222 62.100 -0.015 0.000 1.011 431 T CB 1.686 70.465 68.868 -0.148 0.000 1.152 431 T HN 0.898 nan 8.240 nan 0.000 0.510 432 S N -0.401 115.332 115.700 0.054 0.000 2.535 432 S HA 0.745 5.214 4.470 -0.001 0.000 0.272 432 S C -1.161 173.528 174.600 0.148 0.000 1.149 432 S CA -0.317 57.958 58.200 0.125 0.000 0.888 432 S CB 1.763 65.078 63.200 0.190 0.000 1.110 432 S HN 1.276 nan 8.310 nan 0.000 0.463 433 T N 1.957 116.662 114.554 0.252 0.000 2.693 433 T HA 0.589 4.939 4.350 -0.001 0.000 0.304 433 T C -1.661 173.203 174.700 0.273 0.000 1.471 433 T CA -0.510 61.673 62.100 0.138 0.000 0.993 433 T CB 0.053 68.981 68.868 0.099 0.000 1.554 433 T HN 0.357 nan 8.240 nan 0.000 0.496 434 F N 2.588 122.615 119.950 0.129 0.000 2.563 434 F HA 0.249 4.775 4.527 -0.001 0.000 0.363 434 F C 1.575 177.320 175.800 -0.093 0.000 1.123 434 F CA -0.986 57.022 58.000 0.014 0.000 1.307 434 F CB 0.057 38.995 39.000 -0.103 0.000 1.115 434 F HN 0.490 nan 8.300 nan 0.000 0.592 435 L N 3.585 124.881 121.223 0.121 0.000 2.043 435 L HA -0.263 4.076 4.340 -0.001 0.000 0.212 435 L C 2.231 178.919 176.870 -0.304 0.000 1.075 435 L CA 1.767 56.536 54.840 -0.118 0.000 0.752 435 L CB -0.871 41.179 42.059 -0.016 0.000 0.891 435 L HN 0.738 nan 8.230 nan 0.000 0.432 436 M N -0.686 118.675 119.600 -0.398 0.000 2.106 436 M HA -0.236 4.244 4.480 -0.001 0.000 0.259 436 M C 1.563 177.554 176.300 -0.515 0.000 1.068 436 M CA 1.872 56.828 55.300 -0.574 0.000 1.100 436 M CB -0.638 31.392 32.600 -0.949 0.000 1.351 436 M HN 0.256 nan 8.290 nan 0.000 0.404 437 F N -1.226 118.641 119.950 -0.137 0.000 2.811 437 F HA 0.142 4.668 4.527 -0.001 0.000 0.301 437 F C 2.131 177.832 175.800 -0.164 0.000 1.151 437 F CA 0.073 57.961 58.000 -0.185 0.000 1.412 437 F CB -1.700 37.080 39.000 -0.368 0.000 1.113 437 F HN 0.011 nan 8.300 nan 0.000 0.579 438 V N 0.387 120.160 119.914 -0.234 0.000 2.546 438 V HA -0.272 3.848 4.120 -0.001 0.000 0.254 438 V C 2.045 178.075 176.094 -0.107 0.000 1.076 438 V CA 2.100 64.200 62.300 -0.334 0.000 1.087 438 V CB -0.185 31.228 31.823 -0.683 0.000 0.674 438 V HN 0.369 nan 8.190 nan 0.000 0.470 439 E N -1.214 118.974 120.200 -0.019 0.000 2.204 439 E HA -0.205 4.144 4.350 -0.001 0.000 0.194 439 E C 2.003 178.629 176.600 0.044 0.000 0.989 439 E CA 1.368 57.779 56.400 0.018 0.000 0.824 439 E CB -0.165 29.568 29.700 0.055 0.000 0.756 439 E HN 0.753 nan 8.360 nan 0.000 0.477 440 Y N 0.259 120.519 120.300 -0.066 0.000 2.293 440 Y HA -0.062 4.487 4.550 -0.001 0.000 0.291 440 Y C 2.102 177.834 175.900 -0.281 0.000 1.137 440 Y CA 1.014 59.048 58.100 -0.110 0.000 1.202 440 Y CB -0.048 38.406 38.460 -0.011 0.000 0.990 440 Y HN -0.013 nan 8.280 nan 0.000 0.537 441 A N -1.129 121.668 122.820 -0.038 0.000 2.387 441 A HA 0.185 4.504 4.320 -0.001 0.000 0.234 441 A C 1.922 179.404 177.584 -0.170 0.000 1.253 441 A CA -0.065 51.927 52.037 -0.076 0.000 0.894 441 A CB -0.304 18.774 19.000 0.129 0.000 0.963 441 A HN 0.173 nan 8.150 nan 0.000 0.508 442 R N 1.317 121.672 120.500 -0.241 0.000 2.103 442 R HA -0.146 4.194 4.340 -0.001 0.000 0.242 442 R C 1.835 178.077 176.300 -0.097 0.000 1.142 442 R CA 2.198 58.214 56.100 -0.140 0.000 0.960 442 R CB -0.619 29.599 30.300 -0.136 0.000 0.858 442 R HN 0.663 nan 8.270 nan 0.000 0.439 443 N N -0.703 117.893 118.700 -0.173 0.000 2.331 443 N HA -0.082 4.657 4.740 -0.001 0.000 0.180 443 N C 1.201 176.795 175.510 0.139 0.000 1.019 443 N CA 0.983 54.029 53.050 -0.007 0.000 0.881 443 N CB 0.085 38.585 38.487 0.022 0.000 0.972 443 N HN 0.338 nan 8.380 nan 0.000 0.435 444 A N 0.407 123.381 122.820 0.256 0.000 1.968 444 A HA 0.002 4.321 4.320 -0.001 0.000 0.217 444 A C 2.345 180.024 177.584 0.159 0.000 1.169 444 A CA 0.629 52.836 52.037 0.284 0.000 0.638 444 A CB -0.414 18.830 19.000 0.407 0.000 0.812 444 A HN 0.143 nan 8.150 nan 0.000 0.446 445 V N 0.093 120.085 119.914 0.130 0.000 2.295 445 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 445 V C 2.628 178.777 176.094 0.091 0.000 1.049 445 V CA 2.269 64.638 62.300 0.115 0.000 1.024 445 V CB -0.766 31.128 31.823 0.119 0.000 0.648 445 V HN 0.652 nan 8.190 nan 0.000 0.447 446 R N -0.619 119.924 120.500 0.072 0.000 2.091 446 R HA -0.171 4.169 4.340 -0.001 0.000 0.238 446 R C 2.334 178.675 176.300 0.068 0.000 1.136 446 R CA 1.656 57.792 56.100 0.060 0.000 0.959 446 R CB -0.192 30.133 30.300 0.042 0.000 0.856 446 R HN 0.306 nan 8.270 nan 0.000 0.437 447 M N 0.065 119.714 119.600 0.081 0.000 2.159 447 M HA -0.092 4.387 4.480 -0.001 0.000 0.263 447 M C 2.363 178.708 176.300 0.075 0.000 1.063 447 M CA 1.549 56.896 55.300 0.079 0.000 1.110 447 M CB -1.028 31.625 32.600 0.090 0.000 1.374 447 M HN 0.274 nan 8.290 nan 0.000 0.411 448 A N 0.244 123.112 122.820 0.079 0.000 1.902 448 A HA -0.030 4.290 4.320 -0.001 0.000 0.217 448 A C 2.448 180.074 177.584 0.070 0.000 1.181 448 A CA 2.196 54.277 52.037 0.074 0.000 0.623 448 A CB -0.897 18.148 19.000 0.076 0.000 0.818 448 A HN 0.472 nan 8.150 nan 0.000 0.443 449 A N -0.531 122.332 122.820 0.072 0.000 1.877 449 A HA -0.017 4.303 4.320 -0.001 0.000 0.216 449 A C 2.138 179.759 177.584 0.063 0.000 1.186 449 A CA 1.732 53.810 52.037 0.069 0.000 0.620 449 A CB -0.675 18.366 19.000 0.068 0.000 0.822 449 A HN 0.730 nan 8.150 nan 0.000 0.443 450 L N -0.441 120.819 121.223 0.061 0.000 2.042 450 L HA -0.076 4.264 4.340 -0.001 0.000 0.210 450 L C 2.259 179.167 176.870 0.062 0.000 1.076 450 L CA 2.081 56.957 54.840 0.059 0.000 0.749 450 L CB -0.456 41.638 42.059 0.058 0.000 0.893 450 L HN 0.437 nan 8.230 nan 0.000 0.432 451 M N -0.792 118.847 119.600 0.064 0.000 2.618 451 M HA -0.011 4.468 4.480 -0.001 0.000 0.240 451 M C 0.235 176.572 176.300 0.061 0.000 1.123 451 M CA 0.344 55.683 55.300 0.066 0.000 1.060 451 M CB -0.038 32.601 32.600 0.066 0.000 1.535 451 M HN 0.141 nan 8.290 nan 0.000 0.507 452 K N 1.041 121.476 120.400 0.059 0.000 3.125 452 K HA -0.137 4.183 4.320 -0.001 0.000 0.268 452 K C -0.695 175.936 176.600 0.052 0.000 1.078 452 K CA 0.367 56.686 56.287 0.054 0.000 0.775 452 K CB -1.222 31.306 32.500 0.048 0.000 1.253 452 K HN 0.360 nan 8.250 nan 0.000 0.486 453 Q N 0.964 120.798 119.800 0.057 0.000 2.241 453 Q HA 0.228 4.568 4.340 -0.001 0.000 0.254 453 Q C -0.028 176.006 176.000 0.058 0.000 0.917 453 Q CA -0.432 55.405 55.803 0.057 0.000 0.919 453 Q CB 1.632 30.407 28.738 0.062 0.000 1.237 453 Q HN 0.238 nan 8.270 nan 0.000 0.434 454 R N 2.282 122.815 120.500 0.055 0.000 2.242 454 R HA 0.165 4.504 4.340 -0.001 0.000 0.334 454 R C -0.660 175.685 176.300 0.076 0.000 1.071 454 R CA 0.211 56.346 56.100 0.057 0.000 0.922 454 R CB 0.469 30.796 30.300 0.046 0.000 1.023 454 R HN 0.622 nan 8.270 nan 0.000 0.458 455 Q N 3.753 123.593 119.800 0.066 0.000 2.295 455 Q HA 0.241 4.581 4.340 -0.001 0.000 0.268 455 Q C -1.814 174.198 176.000 0.019 0.000 1.010 455 Q CA -0.789 55.054 55.803 0.066 0.000 0.856 455 Q CB 2.340 31.108 28.738 0.051 0.000 1.349 455 Q HN 0.442 nan 8.270 nan 0.000 0.412 456 V N 4.955 124.874 119.914 0.008 0.000 2.383 456 V HA 0.402 4.522 4.120 -0.001 0.000 0.275 456 V C -0.137 175.831 176.094 -0.210 0.000 1.036 456 V CA -0.179 62.016 62.300 -0.176 0.000 0.889 456 V CB 1.171 32.752 31.823 -0.404 0.000 0.985 456 V HN 0.814 nan 8.190 nan 0.000 0.459 457 M N 5.427 124.828 119.600 -0.332 0.000 2.066 457 M HA 0.414 4.894 4.480 -0.001 0.000 0.340 457 M C -0.766 175.065 176.300 -0.781 0.000 1.053 457 M CA -0.389 54.579 55.300 -0.553 0.000 0.983 457 M CB 1.631 33.875 32.600 -0.594 0.000 1.520 457 M HN 0.337 nan 8.290 nan 0.000 0.428 458 V N 4.771 124.349 119.914 -0.560 0.000 2.304 458 V HA 0.217 4.336 4.120 -0.001 0.000 0.262 458 V C -1.083 174.921 176.094 -0.150 0.000 1.061 458 V CA -0.440 61.684 62.300 -0.295 0.000 0.872 458 V CB -0.414 31.389 31.823 -0.034 0.000 1.077 458 V HN 0.525 nan 8.190 nan 0.000 0.480 459 Y N 3.127 123.471 120.300 0.075 0.000 2.478 459 Y HA 0.503 5.052 4.550 -0.001 0.000 0.329 459 Y C 0.969 176.961 175.900 0.152 0.000 0.967 459 Y CA -1.190 56.976 58.100 0.109 0.000 1.255 459 Y CB 1.336 39.837 38.460 0.068 0.000 1.103 459 Y HN 0.690 nan 8.280 nan 0.000 0.497 460 T N -1.727 113.076 114.554 0.415 0.000 2.884 460 T HA 0.398 4.747 4.350 -0.001 0.000 0.277 460 T C -0.477 174.482 174.700 0.432 0.000 0.976 460 T CA -0.566 61.781 62.100 0.412 0.000 0.956 460 T CB 0.545 69.737 68.868 0.541 0.000 1.113 460 T HN 0.684 nan 8.240 nan 0.000 0.554 461 H N 0.307 119.404 119.070 0.044 0.000 2.847 461 H HA -0.077 4.479 4.556 -0.001 0.000 0.336 461 H C 0.514 175.788 175.328 -0.091 0.000 1.221 461 H CA 0.842 56.819 56.048 -0.118 0.000 1.162 461 H CB -1.713 27.782 29.762 -0.446 0.000 1.566 461 H HN 0.823 nan 8.280 nan 0.000 0.430 462 D N -1.025 119.389 120.400 0.024 0.000 2.349 462 D HA 0.052 4.692 4.640 -0.001 0.000 0.215 462 D C 0.899 177.182 176.300 -0.029 0.000 1.016 462 D CA 0.842 54.853 54.000 0.019 0.000 0.870 462 D CB 0.425 41.251 40.800 0.043 0.000 0.917 462 D HN 0.498 nan 8.370 nan 0.000 0.524 463 S N -0.623 115.041 115.700 -0.060 0.000 2.724 463 S HA 0.260 4.729 4.470 -0.001 0.000 0.278 463 S C 1.168 175.669 174.600 -0.166 0.000 1.190 463 S CA -0.383 57.755 58.200 -0.104 0.000 0.860 463 S CB -0.073 63.075 63.200 -0.087 0.000 1.206 463 S HN 0.030 nan 8.310 nan 0.000 0.507 464 I N -0.458 119.954 120.570 -0.263 0.000 2.623 464 I HA 0.126 4.296 4.170 -0.001 0.000 0.261 464 I C 1.950 177.786 176.117 -0.468 0.000 1.204 464 I CA 1.660 62.746 61.300 -0.356 0.000 1.444 464 I CB -1.165 36.577 38.000 -0.431 0.000 1.094 464 I HN 0.728 nan 8.210 nan 0.000 0.451 465 G N 2.627 111.178 108.800 -0.415 0.000 2.498 465 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.219 465 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.219 465 G C 1.544 176.374 174.900 -0.118 0.000 1.119 465 G CA 0.960 45.951 45.100 -0.181 0.000 0.766 465 G HN 0.642 nan 8.290 nan 0.000 0.552 466 L N -1.263 119.872 121.223 -0.147 0.000 2.291 466 L HA 0.450 4.789 4.340 -0.001 0.000 0.214 466 L C 1.595 178.407 176.870 -0.097 0.000 1.120 466 L CA 0.908 55.668 54.840 -0.132 0.000 0.799 466 L CB -0.789 41.206 42.059 -0.108 0.000 0.925 466 L HN 0.420 nan 8.230 nan 0.000 0.446 467 G N 0.251 108.983 108.800 -0.114 0.000 2.552 467 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.267 467 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.267 467 G C 0.661 175.524 174.900 -0.062 0.000 1.174 467 G CA 0.441 45.491 45.100 -0.083 0.000 0.955 467 G HN 0.372 nan 8.290 nan 0.000 0.546 468 E N 1.181 121.352 120.200 -0.048 0.000 2.268 468 E HA 0.081 4.430 4.350 -0.001 0.000 0.195 468 E C 1.891 178.450 176.600 -0.069 0.000 0.995 468 E CA 1.132 57.507 56.400 -0.042 0.000 0.836 468 E CB -0.127 29.556 29.700 -0.028 0.000 0.763 468 E HN 0.457 nan 8.360 nan 0.000 0.491 469 D N -0.010 120.323 120.400 -0.112 0.000 2.263 469 D HA -0.019 4.621 4.640 -0.001 0.000 0.208 469 D C 1.112 177.309 176.300 -0.171 0.000 0.971 469 D CA 1.303 55.166 54.000 -0.228 0.000 0.867 469 D CB -0.230 40.315 40.800 -0.426 0.000 0.929 469 D HN 0.238 nan 8.370 nan 0.000 0.492 470 G N 0.193 108.951 108.800 -0.071 0.000 2.681 470 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.220 470 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.220 470 G C -1.908 173.013 174.900 0.034 0.000 1.353 470 G CA -0.081 45.013 45.100 -0.010 0.000 0.872 470 G HN 0.005 nan 8.290 nan 0.000 0.557 471 P HA -0.077 nan 4.420 nan 0.000 0.223 471 P C 1.887 179.212 177.300 0.041 0.000 1.151 471 P CA 2.728 65.860 63.100 0.053 0.000 0.787 471 P CB -0.363 31.362 31.700 0.042 0.000 0.788 472 T N -4.799 109.809 114.554 0.089 0.000 3.035 472 T HA -0.097 4.252 4.350 -0.001 0.000 0.268 472 T C 1.444 176.237 174.700 0.154 0.000 1.109 472 T CA 1.176 63.360 62.100 0.141 0.000 1.119 472 T CB -0.879 68.133 68.868 0.241 0.000 0.900 472 T HN 0.152 nan 8.240 nan 0.000 0.503 473 H N 0.408 119.453 119.070 -0.041 0.000 2.788 473 H HA 0.404 4.959 4.556 -0.001 0.000 0.262 473 H C 0.574 175.788 175.328 -0.190 0.000 0.968 473 H CA -0.110 55.851 56.048 -0.144 0.000 1.218 473 H CB 0.210 29.929 29.762 -0.071 0.000 1.443 473 H HN 0.426 nan 8.280 nan 0.000 0.478 474 Q N 2.393 122.196 119.800 0.004 0.000 2.324 474 Q HA 0.182 4.522 4.340 -0.001 0.000 0.257 474 Q C -2.432 173.529 176.000 -0.065 0.000 1.080 474 Q CA -1.973 53.798 55.803 -0.053 0.000 0.907 474 Q CB 0.957 29.662 28.738 -0.055 0.000 1.274 474 Q HN 0.171 nan 8.270 nan 0.000 0.434 475 P HA -0.068 nan 4.420 nan 0.000 0.269 475 P C -0.290 176.972 177.300 -0.064 0.000 1.209 475 P CA 0.101 63.152 63.100 -0.081 0.000 0.776 475 P CB 1.064 32.711 31.700 -0.088 0.000 0.876 476 V N 1.591 121.479 119.914 -0.044 0.000 3.177 476 V HA 0.022 4.141 4.120 -0.001 0.000 0.219 476 V C 1.683 177.758 176.094 -0.030 0.000 1.344 476 V CA 0.636 62.906 62.300 -0.050 0.000 1.324 476 V CB -0.267 31.509 31.823 -0.079 0.000 1.165 476 V HN 0.563 nan 8.190 nan 0.000 0.510 477 E N 0.100 120.281 120.200 -0.032 0.000 2.481 477 E HA -0.022 4.327 4.350 -0.001 0.000 0.198 477 E C 1.495 178.071 176.600 -0.039 0.000 1.027 477 E CA 0.255 56.639 56.400 -0.027 0.000 0.900 477 E CB 0.454 30.137 29.700 -0.027 0.000 0.993 477 E HN 0.486 nan 8.360 nan 0.000 0.482 478 Q N 0.935 120.704 119.800 -0.051 0.000 2.083 478 Q HA -0.003 4.336 4.340 -0.001 0.000 0.198 478 Q C 2.323 178.277 176.000 -0.076 0.000 0.969 478 Q CA 1.433 57.194 55.803 -0.070 0.000 0.838 478 Q CB -0.352 28.327 28.738 -0.099 0.000 0.900 478 Q HN 0.149 nan 8.270 nan 0.000 0.436 479 V N 0.816 120.684 119.914 -0.078 0.000 2.295 479 V HA -0.290 3.829 4.120 -0.001 0.000 0.246 479 V C 2.181 178.155 176.094 -0.200 0.000 1.049 479 V CA 1.791 64.027 62.300 -0.106 0.000 1.024 479 V CB -1.222 30.547 31.823 -0.090 0.000 0.648 479 V HN 0.422 nan 8.190 nan 0.000 0.447 480 A N -0.625 122.064 122.820 -0.219 0.000 1.908 480 A HA -0.273 4.046 4.320 -0.001 0.000 0.218 480 A C 2.563 180.068 177.584 -0.132 0.000 1.181 480 A CA 2.393 54.264 52.037 -0.278 0.000 0.627 480 A CB -0.811 18.137 19.000 -0.086 0.000 0.818 480 A HN 0.492 nan 8.150 nan 0.000 0.445 481 S N -0.694 114.961 115.700 -0.075 0.000 2.383 481 S HA -0.065 4.404 4.470 -0.001 0.000 0.227 481 S C 1.905 176.483 174.600 -0.038 0.000 1.026 481 S CA 1.320 59.496 58.200 -0.039 0.000 0.981 481 S CB -0.465 62.715 63.200 -0.034 0.000 0.818 481 S HN 0.498 nan 8.310 nan 0.000 0.472 482 L N 0.779 121.971 121.223 -0.052 0.000 2.093 482 L HA -0.022 4.318 4.340 -0.001 0.000 0.208 482 L C 2.846 179.693 176.870 -0.038 0.000 1.085 482 L CA 1.181 56.008 54.840 -0.022 0.000 0.755 482 L CB -0.421 41.641 42.059 0.005 0.000 0.904 482 L HN 0.249 nan 8.230 nan 0.000 0.435 483 R N -0.219 120.213 120.500 -0.114 0.000 2.148 483 R HA -0.100 4.240 4.340 -0.001 0.000 0.227 483 R C 1.824 178.123 176.300 -0.002 0.000 1.103 483 R CA 1.510 57.536 56.100 -0.123 0.000 0.983 483 R CB -0.220 29.847 30.300 -0.389 0.000 0.874 483 R HN 0.404 nan 8.270 nan 0.000 0.451 484 V N -2.396 117.528 119.914 0.017 0.000 3.596 484 V HA 0.156 4.275 4.120 -0.001 0.000 0.289 484 V C 0.331 176.444 176.094 0.031 0.000 1.336 484 V CA -0.058 62.272 62.300 0.049 0.000 1.137 484 V CB 0.427 32.288 31.823 0.063 0.000 0.966 484 V HN -0.100 nan 8.190 nan 0.000 0.428 485 T N 4.392 118.961 114.554 0.025 0.000 2.761 485 T HA 0.363 4.712 4.350 -0.001 0.000 0.296 485 T C -2.387 172.337 174.700 0.040 0.000 0.934 485 T CA -0.469 61.649 62.100 0.031 0.000 1.091 485 T CB 0.948 69.835 68.868 0.032 0.000 0.896 485 T HN 0.351 nan 8.240 nan 0.000 0.515 486 P HA 0.100 nan 4.420 nan 0.000 0.265 486 P C 0.653 177.985 177.300 0.054 0.000 1.193 486 P CA 0.232 63.358 63.100 0.044 0.000 0.765 486 P CB 0.230 31.953 31.700 0.037 0.000 0.823 487 N N 0.220 118.957 118.700 0.062 0.000 2.778 487 N HA -0.214 4.526 4.740 -0.001 0.000 0.249 487 N C -0.290 175.274 175.510 0.089 0.000 1.069 487 N CA 0.859 53.953 53.050 0.074 0.000 0.831 487 N CB -1.298 37.229 38.487 0.066 0.000 1.142 487 N HN 0.368 nan 8.380 nan 0.000 0.573 488 M N 0.450 120.101 119.600 0.085 0.000 2.249 488 M HA 0.452 4.931 4.480 -0.001 0.000 0.351 488 M C -0.097 176.275 176.300 0.120 0.000 1.180 488 M CA -0.320 55.039 55.300 0.098 0.000 1.127 488 M CB 1.438 34.084 32.600 0.077 0.000 1.546 488 M HN 0.108 nan 8.290 nan 0.000 0.461 489 S N 2.623 118.425 115.700 0.171 0.000 2.454 489 S HA 0.787 5.256 4.470 -0.001 0.000 0.306 489 S C -1.096 173.623 174.600 0.199 0.000 1.100 489 S CA -0.487 57.847 58.200 0.223 0.000 1.087 489 S CB 0.601 64.080 63.200 0.465 0.000 1.019 489 S HN 0.799 nan 8.310 nan 0.000 0.480 490 T N 5.050 119.634 114.554 0.050 0.000 2.881 490 T HA 0.471 4.820 4.350 -0.001 0.000 0.291 490 T C -1.568 173.056 174.700 -0.126 0.000 0.990 490 T CA -0.315 61.808 62.100 0.039 0.000 0.976 490 T CB 0.424 69.274 68.868 -0.031 0.000 0.970 490 T HN 0.632 nan 8.240 nan 0.000 0.438 491 W N 2.159 123.438 121.300 -0.035 0.000 2.600 491 W HA 0.600 5.259 4.660 -0.001 0.000 0.325 491 W C 0.415 176.928 176.519 -0.011 0.000 1.034 491 W CA -1.004 56.320 57.345 -0.035 0.000 1.226 491 W CB 1.331 30.760 29.460 -0.051 0.000 1.379 491 W HN 0.400 nan 8.180 nan 0.000 0.466 492 R N 5.034 125.627 120.500 0.154 0.000 2.477 492 R HA 0.323 4.663 4.340 -0.001 0.000 0.285 492 R C -2.500 173.878 176.300 0.130 0.000 1.415 492 R CA -1.695 54.476 56.100 0.118 0.000 1.446 492 R CB 0.630 30.968 30.300 0.064 0.000 1.110 492 R HN 0.084 nan 8.270 nan 0.000 0.590 493 P HA -0.006 nan 4.420 nan 0.000 0.271 493 P C 0.741 178.098 177.300 0.095 0.000 1.218 493 P CA -0.215 62.985 63.100 0.167 0.000 0.780 493 P CB 1.069 32.869 31.700 0.167 0.000 0.901 494 C N 0.499 119.847 119.300 0.080 0.000 2.696 494 C HA 0.242 4.702 4.460 -0.001 0.000 0.264 494 C C 0.405 175.408 174.990 0.020 0.000 1.288 494 C CA 0.170 59.204 59.018 0.028 0.000 1.717 494 C CB -1.379 26.362 27.740 0.002 0.000 1.893 494 C HN 0.661 nan 8.230 nan 0.000 0.577 495 D N -0.813 119.612 120.400 0.042 0.000 2.851 495 D HA 0.097 4.737 4.640 -0.001 0.000 0.339 495 D C 0.736 177.055 176.300 0.030 0.000 1.347 495 D CA -0.066 53.948 54.000 0.024 0.000 0.888 495 D CB 0.250 41.056 40.800 0.011 0.000 1.431 495 D HN 0.259 nan 8.370 nan 0.000 0.509 496 Q N -0.324 119.480 119.800 0.007 0.000 2.224 496 Q HA -0.026 4.314 4.340 -0.001 0.000 0.203 496 Q C 1.243 177.226 176.000 -0.028 0.000 0.970 496 Q CA 1.635 57.435 55.803 -0.005 0.000 0.865 496 Q CB -0.345 28.375 28.738 -0.030 0.000 0.922 496 Q HN 0.287 nan 8.270 nan 0.000 0.445 497 V N 1.604 121.500 119.914 -0.031 0.000 2.302 497 V HA -0.188 3.931 4.120 -0.001 0.000 0.243 497 V C 2.125 178.227 176.094 0.013 0.000 1.036 497 V CA 1.964 64.234 62.300 -0.049 0.000 1.020 497 V CB -0.617 31.178 31.823 -0.046 0.000 0.657 497 V HN 0.366 nan 8.190 nan 0.000 0.453 498 E N 0.612 120.852 120.200 0.066 0.000 2.160 498 E HA -0.187 4.163 4.350 -0.001 0.000 0.195 498 E C 2.391 179.066 176.600 0.124 0.000 0.991 498 E CA 1.604 58.083 56.400 0.133 0.000 0.810 498 E CB -0.210 29.607 29.700 0.194 0.000 0.742 498 E HN 0.541 nan 8.360 nan 0.000 0.466 499 S N 0.833 116.597 115.700 0.106 0.000 2.368 499 S HA -0.157 4.312 4.470 -0.001 0.000 0.225 499 S C 2.157 176.858 174.600 0.169 0.000 1.030 499 S CA 1.012 59.292 58.200 0.134 0.000 0.999 499 S CB -0.157 63.121 63.200 0.131 0.000 0.844 499 S HN 0.395 nan 8.310 nan 0.000 0.459 500 A N 1.162 124.058 122.820 0.127 0.000 1.902 500 A HA -0.032 4.288 4.320 -0.001 0.000 0.217 500 A C 2.332 180.046 177.584 0.217 0.000 1.181 500 A CA 1.423 53.571 52.037 0.184 0.000 0.623 500 A CB -0.875 18.186 19.000 0.101 0.000 0.818 500 A HN 0.341 nan 8.150 nan 0.000 0.443 501 V N -0.107 119.864 119.914 0.096 0.000 2.343 501 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 501 V C 3.037 179.023 176.094 -0.181 0.000 1.051 501 V CA 1.922 64.235 62.300 0.022 0.000 1.036 501 V CB -1.257 30.571 31.823 0.008 0.000 0.654 501 V HN 0.614 nan 8.190 nan 0.000 0.451 502 A N -1.246 121.393 122.820 -0.303 0.000 1.877 502 A HA -0.253 4.067 4.320 -0.001 0.000 0.216 502 A C 1.976 179.345 177.584 -0.358 0.000 1.186 502 A CA 1.822 53.407 52.037 -0.754 0.000 0.620 502 A CB -0.904 17.896 19.000 -0.332 0.000 0.822 502 A HN 0.643 nan 8.150 nan 0.000 0.443 503 W N 0.273 121.511 121.300 -0.104 0.000 2.338 503 W HA -0.184 4.476 4.660 -0.001 0.000 0.304 503 W C 2.478 179.179 176.519 0.304 0.000 1.212 503 W CA 2.064 59.458 57.345 0.080 0.000 1.264 503 W CB 0.078 29.550 29.460 0.021 0.000 1.142 503 W HN 0.336 nan 8.180 nan 0.000 0.512 504 K N -0.814 119.963 120.400 0.630 0.000 2.057 504 K HA -0.294 4.025 4.320 -0.001 0.000 0.207 504 K C 2.015 178.766 176.600 0.252 0.000 1.049 504 K CA 1.779 58.368 56.287 0.504 0.000 0.931 504 K CB -0.828 31.892 32.500 0.366 0.000 0.714 504 K HN 0.202 nan 8.250 nan 0.000 0.440 505 Y N 0.786 121.046 120.300 -0.068 0.000 2.165 505 Y HA -0.167 4.383 4.550 -0.001 0.000 0.286 505 Y C 2.108 177.969 175.900 -0.065 0.000 1.155 505 Y CA 2.020 60.038 58.100 -0.137 0.000 1.164 505 Y CB -0.634 37.546 38.460 -0.467 0.000 0.978 505 Y HN 0.195 nan 8.280 nan 0.000 0.513 506 G N -0.480 108.357 108.800 0.062 0.000 2.421 506 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.216 506 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.216 506 G C 1.633 176.564 174.900 0.052 0.000 1.171 506 G CA 1.884 46.996 45.100 0.019 0.000 0.775 506 G HN 0.494 nan 8.290 nan 0.000 0.543 507 V N -1.692 118.314 119.914 0.154 0.000 2.667 507 V HA 0.093 4.213 4.120 -0.001 0.000 0.252 507 V C 2.000 178.055 176.094 -0.065 0.000 1.065 507 V CA 2.071 64.432 62.300 0.101 0.000 1.083 507 V CB -0.403 31.493 31.823 0.121 0.000 0.692 507 V HN 0.428 nan 8.190 nan 0.000 0.468 508 E N 0.031 120.191 120.200 -0.067 0.000 2.478 508 E HA 0.124 4.474 4.350 -0.001 0.000 0.194 508 E C 0.747 177.258 176.600 -0.149 0.000 1.045 508 E CA -0.337 55.994 56.400 -0.114 0.000 0.868 508 E CB 0.130 29.788 29.700 -0.070 0.000 0.885 508 E HN 0.550 nan 8.360 nan 0.000 0.505 509 R N 1.168 121.573 120.500 -0.159 0.000 2.570 509 R HA 0.015 4.355 4.340 -0.001 0.000 0.277 509 R C 0.891 177.151 176.300 -0.066 0.000 1.039 509 R CA 0.556 56.573 56.100 -0.138 0.000 1.065 509 R CB 0.473 30.728 30.300 -0.076 0.000 0.964 509 R HN 0.239 nan 8.270 nan 0.000 0.428 510 Q N 0.729 120.497 119.800 -0.053 0.000 2.350 510 Q HA -0.033 4.307 4.340 -0.001 0.000 0.225 510 Q C 0.013 176.012 176.000 -0.003 0.000 0.878 510 Q CA 0.523 56.309 55.803 -0.028 0.000 0.935 510 Q CB 0.694 29.414 28.738 -0.031 0.000 1.099 510 Q HN 0.621 nan 8.270 nan 0.000 0.527 511 D N -1.226 119.177 120.400 0.006 0.000 2.582 511 D HA 0.241 4.880 4.640 -0.001 0.000 0.246 511 D C 0.314 176.639 176.300 0.042 0.000 1.334 511 D CA -0.066 53.949 54.000 0.024 0.000 0.805 511 D CB 0.617 41.430 40.800 0.022 0.000 1.087 511 D HN 0.105 nan 8.370 nan 0.000 0.499 512 G N 0.373 109.201 108.800 0.048 0.000 2.368 512 G HA2 0.467 4.427 3.960 -0.001 0.000 0.293 512 G HA3 0.467 4.427 3.960 -0.001 0.000 0.293 512 G C -3.458 171.487 174.900 0.075 0.000 1.467 512 G CA -1.017 44.124 45.100 0.068 0.000 0.804 512 G HN -0.082 nan 8.290 nan 0.000 0.535 513 P HA 0.545 nan 4.420 nan 0.000 0.281 513 P C -0.767 176.596 177.300 0.106 0.000 1.264 513 P CA -0.188 62.958 63.100 0.077 0.000 0.824 513 P CB 1.757 33.499 31.700 0.071 0.000 1.092 514 T N 0.143 114.739 114.554 0.069 0.000 2.949 514 T HA 0.565 4.914 4.350 -0.001 0.000 0.300 514 T C -0.549 174.148 174.700 -0.005 0.000 0.988 514 T CA -0.322 61.842 62.100 0.107 0.000 0.993 514 T CB 1.097 70.031 68.868 0.110 0.000 0.984 514 T HN 0.466 nan 8.240 nan 0.000 0.442 515 A N 4.103 126.959 122.820 0.060 0.000 2.301 515 A HA 0.785 5.104 4.320 -0.001 0.000 0.298 515 A C -0.313 177.286 177.584 0.025 0.000 1.185 515 A CA -0.615 51.415 52.037 -0.013 0.000 0.830 515 A CB 0.229 19.323 19.000 0.157 0.000 1.112 515 A HN 0.851 nan 8.150 nan 0.000 0.508 516 L N 3.805 124.959 121.223 -0.114 0.000 2.287 516 L HA 0.396 4.736 4.340 -0.001 0.000 0.287 516 L C -0.772 176.130 176.870 0.054 0.000 1.022 516 L CA -0.677 54.133 54.840 -0.050 0.000 0.814 516 L CB 1.323 43.238 42.059 -0.239 0.000 1.217 516 L HN 0.487 nan 8.230 nan 0.000 0.420 517 I N 5.621 126.262 120.570 0.117 0.000 2.330 517 I HA 0.414 4.583 4.170 -0.001 0.000 0.286 517 I C -0.095 176.090 176.117 0.113 0.000 1.025 517 I CA -0.215 61.166 61.300 0.136 0.000 1.197 517 I CB 0.937 39.003 38.000 0.109 0.000 1.358 517 I HN 0.463 nan 8.210 nan 0.000 0.467 518 L N 5.054 126.352 121.223 0.125 0.000 2.354 518 L HA 0.536 4.876 4.340 -0.001 0.000 0.269 518 L C 0.539 177.456 176.870 0.077 0.000 1.005 518 L CA -0.670 54.235 54.840 0.107 0.000 0.819 518 L CB 2.247 44.384 42.059 0.131 0.000 1.311 518 L HN 0.587 nan 8.230 nan 0.000 0.423 519 S N 0.962 116.684 115.700 0.036 0.000 2.610 519 S HA 0.359 4.828 4.470 -0.001 0.000 0.273 519 S C 0.704 175.244 174.600 -0.100 0.000 1.274 519 S CA -0.654 57.532 58.200 -0.023 0.000 1.023 519 S CB 1.944 65.138 63.200 -0.011 0.000 0.962 519 S HN 0.768 nan 8.310 nan 0.000 0.523 520 R N 0.911 121.263 120.500 -0.248 0.000 2.093 520 R HA -0.011 4.329 4.340 -0.001 0.000 0.224 520 R C 0.925 177.134 176.300 -0.152 0.000 1.101 520 R CA 0.738 56.611 56.100 -0.377 0.000 0.979 520 R CB -0.116 29.808 30.300 -0.627 0.000 0.877 520 R HN 0.887 nan 8.270 nan 0.000 0.441 521 Q N 1.249 120.998 119.800 -0.085 0.000 2.221 521 Q HA 0.122 4.462 4.340 -0.001 0.000 0.242 521 Q C -1.092 174.899 176.000 -0.014 0.000 0.940 521 Q CA -0.577 55.210 55.803 -0.026 0.000 0.896 521 Q CB 0.641 29.394 28.738 0.024 0.000 1.226 521 Q HN -0.007 nan 8.270 nan 0.000 0.463 522 N N 1.437 120.132 118.700 -0.007 0.000 2.458 522 N HA 0.209 4.948 4.740 -0.001 0.000 0.258 522 N C -0.608 174.889 175.510 -0.021 0.000 1.219 522 N CA 0.201 53.246 53.050 -0.009 0.000 0.902 522 N CB 0.344 38.827 38.487 -0.006 0.000 1.076 522 N HN 0.456 nan 8.380 nan 0.000 0.455 523 L N 1.300 122.511 121.223 -0.020 0.000 2.333 523 L HA 0.543 4.882 4.340 -0.001 0.000 0.280 523 L C 0.546 177.398 176.870 -0.029 0.000 1.004 523 L CA -1.208 53.613 54.840 -0.032 0.000 0.820 523 L CB 1.529 43.575 42.059 -0.023 0.000 1.247 523 L HN 0.426 nan 8.230 nan 0.000 0.416 524 A N 2.912 125.707 122.820 -0.041 0.000 2.498 524 A HA 0.158 4.477 4.320 -0.001 0.000 0.239 524 A C -0.018 177.549 177.584 -0.029 0.000 1.068 524 A CA 0.029 52.044 52.037 -0.036 0.000 0.766 524 A CB 0.368 19.340 19.000 -0.046 0.000 1.003 524 A HN 0.796 nan 8.150 nan 0.000 0.497 525 Q N 1.175 120.962 119.800 -0.023 0.000 2.288 525 Q HA 0.246 4.585 4.340 -0.001 0.000 0.254 525 Q C -0.569 175.421 176.000 -0.017 0.000 0.932 525 Q CA -0.452 55.341 55.803 -0.018 0.000 0.902 525 Q CB 0.567 29.293 28.738 -0.021 0.000 1.203 525 Q HN 0.727 nan 8.270 nan 0.000 0.415 526 Q N 2.358 122.154 119.800 -0.006 0.000 2.235 526 Q HA 0.136 4.476 4.340 -0.001 0.000 0.250 526 Q C -0.864 175.139 176.000 0.005 0.000 0.909 526 Q CA -0.211 55.591 55.803 -0.003 0.000 0.910 526 Q CB 1.524 30.270 28.738 0.013 0.000 1.223 526 Q HN 0.722 nan 8.270 nan 0.000 0.432 527 E N 2.302 122.502 120.200 0.000 0.000 2.360 527 E HA 0.141 4.490 4.350 -0.001 0.000 0.269 527 E C -0.804 175.808 176.600 0.019 0.000 1.022 527 E CA 0.032 56.434 56.400 0.004 0.000 0.887 527 E CB 0.634 30.334 29.700 0.001 0.000 0.990 527 E HN 0.318 nan 8.360 nan 0.000 0.426 528 R N 2.203 122.712 120.500 0.014 0.000 2.651 528 R HA 0.234 4.573 4.340 -0.001 0.000 0.278 528 R C -0.539 175.766 176.300 0.008 0.000 1.010 528 R CA -0.704 55.409 56.100 0.022 0.000 0.896 528 R CB 1.915 32.218 30.300 0.005 0.000 1.211 528 R HN 0.751 nan 8.270 nan 0.000 0.456 529 T N -1.163 113.401 114.554 0.017 0.000 2.766 529 T HA 0.062 4.411 4.350 -0.001 0.000 0.295 529 T C 1.161 175.859 174.700 -0.003 0.000 1.024 529 T CA -0.651 61.456 62.100 0.011 0.000 1.018 529 T CB 0.759 69.642 68.868 0.024 0.000 1.002 529 T HN 0.428 nan 8.240 nan 0.000 0.532 530 E N 0.362 120.561 120.200 -0.003 0.000 2.085 530 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 530 E C 1.946 178.539 176.600 -0.012 0.000 0.994 530 E CA 1.618 58.012 56.400 -0.010 0.000 0.801 530 E CB -0.377 29.321 29.700 -0.003 0.000 0.743 530 E HN 0.936 nan 8.360 nan 0.000 0.453 531 E N 0.662 120.866 120.200 0.007 0.000 2.047 531 E HA -0.200 4.149 4.350 -0.001 0.000 0.191 531 E C 2.096 178.696 176.600 0.001 0.000 0.987 531 E CA 0.997 57.409 56.400 0.021 0.000 0.799 531 E CB 0.093 29.823 29.700 0.050 0.000 0.752 531 E HN 0.272 nan 8.360 nan 0.000 0.449 532 Q N 0.125 119.922 119.800 -0.005 0.000 2.050 532 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 532 Q C 2.356 178.195 176.000 -0.269 0.000 0.980 532 Q CA 1.275 57.033 55.803 -0.076 0.000 0.840 532 Q CB -0.170 28.592 28.738 0.040 0.000 0.898 532 Q HN 0.260 nan 8.270 nan 0.000 0.424 533 L N 0.774 121.906 121.223 -0.151 0.000 2.013 533 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 533 L C 2.156 178.941 176.870 -0.143 0.000 1.073 533 L CA 2.259 57.010 54.840 -0.149 0.000 0.753 533 L CB -0.799 41.212 42.059 -0.079 0.000 0.890 533 L HN 0.160 nan 8.230 nan 0.000 0.432 534 A N -0.903 121.861 122.820 -0.094 0.000 1.969 534 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 534 A C 1.948 179.488 177.584 -0.073 0.000 1.169 534 A CA 1.654 53.655 52.037 -0.059 0.000 0.635 534 A CB -0.677 18.306 19.000 -0.029 0.000 0.810 534 A HN 0.606 nan 8.150 nan 0.000 0.445 535 N N -0.027 118.600 118.700 -0.121 0.000 2.515 535 N HA 0.050 4.789 4.740 -0.001 0.000 0.185 535 N C 1.375 176.797 175.510 -0.146 0.000 1.109 535 N CA 0.495 53.493 53.050 -0.086 0.000 0.903 535 N CB -0.329 38.206 38.487 0.081 0.000 0.969 535 N HN 0.588 nan 8.380 nan 0.000 0.450 536 I N 0.890 121.261 120.570 -0.332 0.000 2.194 536 I HA -0.280 3.889 4.170 -0.001 0.000 0.246 536 I C 2.130 178.382 176.117 0.226 0.000 1.093 536 I CA 1.157 62.372 61.300 -0.142 0.000 1.355 536 I CB -0.335 37.613 38.000 -0.086 0.000 1.046 536 I HN 0.062 nan 8.210 nan 0.000 0.413 537 A N 0.621 123.547 122.820 0.177 0.000 2.178 537 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 537 A C 2.186 179.966 177.584 0.327 0.000 1.157 537 A CA 1.091 53.316 52.037 0.313 0.000 0.689 537 A CB -0.564 18.563 19.000 0.212 0.000 0.787 537 A HN 0.394 nan 8.150 nan 0.000 0.465 538 R N -1.448 119.161 120.500 0.181 0.000 2.310 538 R HA 0.194 4.533 4.340 -0.001 0.000 0.202 538 R C 1.554 177.979 176.300 0.208 0.000 0.933 538 R CA 0.530 56.687 56.100 0.095 0.000 1.054 538 R CB -0.088 30.091 30.300 -0.201 0.000 0.985 538 R HN 0.631 nan 8.270 nan 0.000 0.489 539 G N 0.231 109.143 108.800 0.188 0.000 2.363 539 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.238 539 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.238 539 G C 0.312 175.266 174.900 0.090 0.000 1.062 539 G CA -0.063 44.995 45.100 -0.070 0.000 0.629 539 G HN 0.614 nan 8.290 nan 0.000 0.514 540 G N -0.631 108.392 108.800 0.372 0.000 2.731 540 G HA2 0.861 4.820 3.960 -0.001 0.000 0.298 540 G HA3 0.861 4.820 3.960 -0.001 0.000 0.298 540 G C -0.986 174.186 174.900 0.453 0.000 1.424 540 G CA 0.145 45.327 45.100 0.136 0.000 1.029 540 G HN 1.638 nan 8.290 nan 0.000 0.518 541 Y N -0.809 119.548 120.300 0.095 0.000 2.609 541 Y HA 0.677 5.227 4.550 -0.001 0.000 0.336 541 Y C -0.903 175.009 175.900 0.019 0.000 1.129 541 Y CA -1.715 56.477 58.100 0.155 0.000 1.040 541 Y CB 1.029 39.620 38.460 0.218 0.000 1.310 541 Y HN 0.433 nan 8.280 nan 0.000 0.460 542 V N 3.791 123.762 119.914 0.096 0.000 2.439 542 V HA 0.034 4.153 4.120 -0.001 0.000 0.271 542 V C 0.600 176.710 176.094 0.025 0.000 1.040 542 V CA 0.094 62.381 62.300 -0.021 0.000 1.002 542 V CB 0.517 32.350 31.823 0.017 0.000 1.000 542 V HN 0.897 nan 8.190 nan 0.000 0.477 543 L N 5.050 126.177 121.223 -0.160 0.000 2.221 543 L HA 0.360 4.699 4.340 -0.001 0.000 0.202 543 L C 0.830 177.617 176.870 -0.138 0.000 1.074 543 L CA 1.571 56.348 54.840 -0.105 0.000 0.795 543 L CB 0.038 41.947 42.059 -0.249 0.000 0.960 543 L HN 0.429 nan 8.230 nan 0.000 0.458 544 K N 0.324 120.561 120.400 -0.272 0.000 2.422 544 K HA 0.460 4.779 4.320 -0.001 0.000 0.251 544 K C -1.388 175.071 176.600 -0.234 0.000 0.933 544 K CA -0.562 55.475 56.287 -0.417 0.000 0.798 544 K CB 2.219 34.026 32.500 -1.156 0.000 1.238 544 K HN -0.098 nan 8.250 nan 0.000 0.428 545 D N 0.072 120.464 120.400 -0.014 0.000 2.636 545 D HA 0.548 5.187 4.640 -0.001 0.000 0.275 545 D C -0.870 175.558 176.300 0.212 0.000 1.130 545 D CA -0.287 53.775 54.000 0.104 0.000 1.031 545 D CB 1.564 42.395 40.800 0.053 0.000 1.451 545 D HN 0.652 nan 8.370 nan 0.000 0.505 546 C N -0.539 118.844 119.300 0.138 0.000 2.913 546 C HA 0.994 5.453 4.460 -0.001 0.000 0.322 546 C C 0.142 175.167 174.990 0.057 0.000 1.292 546 C CA -0.987 58.089 59.018 0.098 0.000 1.649 546 C CB 0.452 28.235 27.740 0.072 0.000 2.139 546 C HN 0.634 nan 8.230 nan 0.000 0.475 547 A N 1.184 124.027 122.820 0.038 0.000 2.409 547 A HA 0.671 4.991 4.320 -0.001 0.000 0.262 547 A C 1.008 178.603 177.584 0.018 0.000 1.113 547 A CA 1.051 53.104 52.037 0.026 0.000 0.790 547 A CB -0.890 18.122 19.000 0.019 0.000 1.046 547 A HN 3.059 nan 8.150 nan 0.000 0.496 548 G N 0.869 109.679 108.800 0.016 0.000 2.741 548 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.222 548 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.222 548 G C 0.062 174.967 174.900 0.009 0.000 1.364 548 G CA 0.131 45.237 45.100 0.010 0.000 0.866 548 G HN 1.373 nan 8.290 nan 0.000 0.555 549 Q N 0.697 120.499 119.800 0.003 0.000 2.274 549 Q HA 0.384 4.723 4.340 -0.001 0.000 0.280 549 Q C -1.898 174.099 176.000 -0.004 0.000 1.047 549 Q CA -0.895 54.907 55.803 -0.001 0.000 0.907 549 Q CB 0.370 29.105 28.738 -0.004 0.000 1.171 549 Q HN 0.380 nan 8.270 nan 0.000 0.381 550 P HA -0.013 nan 4.420 nan 0.000 0.269 550 P C -0.553 176.730 177.300 -0.029 0.000 1.209 550 P CA 0.175 63.269 63.100 -0.010 0.000 0.776 550 P CB 0.677 32.371 31.700 -0.010 0.000 0.876 551 E N 0.276 120.452 120.200 -0.040 0.000 2.318 551 E HA 0.094 4.443 4.350 -0.001 0.000 0.193 551 E C -0.001 176.545 176.600 -0.091 0.000 0.998 551 E CA 0.410 56.775 56.400 -0.059 0.000 0.859 551 E CB 0.192 29.855 29.700 -0.062 0.000 0.812 551 E HN 0.150 nan 8.360 nan 0.000 0.492 552 L N 0.690 121.847 121.223 -0.110 0.000 2.526 552 L HA 0.415 4.754 4.340 -0.001 0.000 0.263 552 L C -1.849 174.887 176.870 -0.222 0.000 0.943 552 L CA -0.333 54.384 54.840 -0.205 0.000 0.859 552 L CB 1.810 43.716 42.059 -0.255 0.000 1.313 552 L HN -0.164 nan 8.230 nan 0.000 0.406 553 I N 4.862 125.261 120.570 -0.285 0.000 2.447 553 I HA 0.390 4.559 4.170 -0.001 0.000 0.287 553 I C -1.012 174.898 176.117 -0.345 0.000 1.023 553 I CA -0.401 60.766 61.300 -0.221 0.000 1.083 553 I CB 1.535 39.461 38.000 -0.122 0.000 1.245 553 I HN 0.406 nan 8.210 nan 0.000 0.434 554 F N 6.388 126.290 119.950 -0.080 0.000 2.396 554 F HA 0.490 5.017 4.527 -0.001 0.000 0.343 554 F C 0.322 176.002 175.800 -0.199 0.000 1.104 554 F CA -0.360 57.562 58.000 -0.130 0.000 1.161 554 F CB 0.913 39.848 39.000 -0.108 0.000 1.146 554 F HN 0.175 nan 8.300 nan 0.000 0.522 555 I N 3.267 123.786 120.570 -0.085 0.000 2.410 555 I HA 0.654 4.823 4.170 -0.001 0.000 0.286 555 I C -0.414 175.484 176.117 -0.365 0.000 1.009 555 I CA -0.496 60.651 61.300 -0.255 0.000 1.111 555 I CB 1.318 39.137 38.000 -0.302 0.000 1.262 555 I HN 0.683 nan 8.210 nan 0.000 0.443 556 A N 4.117 126.745 122.820 -0.321 0.000 2.515 556 A HA 0.956 5.275 4.320 -0.001 0.000 0.296 556 A C -0.398 177.040 177.584 -0.244 0.000 1.094 556 A CA -0.550 51.304 52.037 -0.305 0.000 0.718 556 A CB 2.005 20.874 19.000 -0.218 0.000 1.307 556 A HN 0.645 nan 8.150 nan 0.000 0.408 557 T N -1.742 112.705 114.554 -0.178 0.000 2.906 557 T HA 0.753 5.103 4.350 -0.001 0.000 0.295 557 T C 0.793 175.457 174.700 -0.061 0.000 1.075 557 T CA 0.419 62.473 62.100 -0.078 0.000 1.005 557 T CB 1.050 69.935 68.868 0.029 0.000 1.136 557 T HN 2.645 nan 8.240 nan 0.000 0.498 558 G N 2.079 110.866 108.800 -0.021 0.000 2.614 558 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.303 558 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.303 558 G C 1.287 176.154 174.900 -0.056 0.000 1.270 558 G CA 1.741 46.833 45.100 -0.013 0.000 0.988 558 G HN 2.126 nan 8.290 nan 0.000 0.551 559 S N -0.277 115.382 115.700 -0.070 0.000 2.465 559 S HA -0.043 4.427 4.470 -0.001 0.000 0.241 559 S C 1.664 176.142 174.600 -0.203 0.000 1.000 559 S CA 2.233 60.357 58.200 -0.126 0.000 0.964 559 S CB -0.044 63.086 63.200 -0.116 0.000 0.763 559 S HN 0.635 nan 8.310 nan 0.000 0.512 560 E N 0.642 120.733 120.200 -0.181 0.000 2.479 560 E HA 0.239 4.588 4.350 -0.001 0.000 0.193 560 E C 1.675 178.172 176.600 -0.171 0.000 1.049 560 E CA 0.017 56.303 56.400 -0.190 0.000 0.870 560 E CB -0.125 29.490 29.700 -0.142 0.000 0.944 560 E HN 0.380 nan 8.360 nan 0.000 0.492 561 V N 0.786 120.607 119.914 -0.156 0.000 2.343 561 V HA -0.275 3.845 4.120 -0.001 0.000 0.247 561 V C 2.294 178.288 176.094 -0.167 0.000 1.051 561 V CA 2.032 64.235 62.300 -0.162 0.000 1.036 561 V CB -0.278 31.464 31.823 -0.135 0.000 0.654 561 V HN 0.347 nan 8.190 nan 0.000 0.451 562 E N -0.102 120.007 120.200 -0.152 0.000 2.058 562 E HA -0.277 4.072 4.350 -0.001 0.000 0.194 562 E C 2.190 178.695 176.600 -0.159 0.000 0.997 562 E CA 1.653 57.968 56.400 -0.141 0.000 0.801 562 E CB -0.149 29.472 29.700 -0.130 0.000 0.746 562 E HN 0.446 nan 8.360 nan 0.000 0.450 563 L N 0.923 122.039 121.223 -0.179 0.000 2.012 563 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 563 L C 2.263 178.988 176.870 -0.241 0.000 1.073 563 L CA 2.386 57.121 54.840 -0.176 0.000 0.748 563 L CB -0.887 41.085 42.059 -0.145 0.000 0.891 563 L HN 0.157 nan 8.230 nan 0.000 0.431 564 A N -1.058 121.591 122.820 -0.284 0.000 1.908 564 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 564 A C 2.279 179.588 177.584 -0.459 0.000 1.181 564 A CA 2.077 53.831 52.037 -0.473 0.000 0.627 564 A CB -1.185 17.611 19.000 -0.339 0.000 0.818 564 A HN 0.340 nan 8.150 nan 0.000 0.445 565 V N -0.184 119.570 119.914 -0.267 0.000 2.343 565 V HA -0.259 3.860 4.120 -0.001 0.000 0.247 565 V C 3.050 179.102 176.094 -0.070 0.000 1.051 565 V CA 1.949 64.149 62.300 -0.166 0.000 1.036 565 V CB -1.221 30.513 31.823 -0.148 0.000 0.654 565 V HN 0.630 nan 8.190 nan 0.000 0.451 566 A N -0.026 122.720 122.820 -0.123 0.000 1.902 566 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 566 A C 2.437 179.954 177.584 -0.111 0.000 1.181 566 A CA 2.103 54.086 52.037 -0.089 0.000 0.623 566 A CB -0.791 18.151 19.000 -0.096 0.000 0.818 566 A HN 0.571 nan 8.150 nan 0.000 0.443 567 A N -1.225 121.455 122.820 -0.233 0.000 1.902 567 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 567 A C 2.142 179.628 177.584 -0.163 0.000 1.181 567 A CA 1.722 53.596 52.037 -0.272 0.000 0.623 567 A CB -0.920 17.742 19.000 -0.563 0.000 0.818 567 A HN 0.851 nan 8.150 nan 0.000 0.443 568 Y N 0.915 121.009 120.300 -0.344 0.000 2.165 568 Y HA -0.235 4.315 4.550 -0.000 0.000 0.286 568 Y C 2.231 178.118 175.900 -0.022 0.000 1.155 568 Y CA 2.253 60.319 58.100 -0.057 0.000 1.164 568 Y CB -0.119 38.303 38.460 -0.063 0.000 0.978 568 Y HN 0.331 nan 8.280 nan 0.000 0.513 569 E N 0.706 120.904 120.200 -0.003 0.000 2.077 569 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 569 E C 2.134 178.652 176.600 -0.137 0.000 0.989 569 E CA 1.403 57.743 56.400 -0.099 0.000 0.800 569 E CB -0.326 29.388 29.700 0.023 0.000 0.746 569 E HN 0.505 nan 8.360 nan 0.000 0.452 570 K N 0.538 120.886 120.400 -0.088 0.000 2.026 570 K HA -0.066 4.254 4.320 -0.001 0.000 0.208 570 K C 2.305 178.859 176.600 -0.077 0.000 1.048 570 K CA 0.792 57.038 56.287 -0.067 0.000 0.929 570 K CB -0.075 32.398 32.500 -0.044 0.000 0.713 570 K HN 0.008 nan 8.250 nan 0.000 0.439 571 L N -0.149 121.029 121.223 -0.074 0.000 2.109 571 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 571 L C 2.303 179.093 176.870 -0.133 0.000 1.086 571 L CA 1.221 56.025 54.840 -0.061 0.000 0.760 571 L CB -0.473 41.604 42.059 0.030 0.000 0.910 571 L HN 0.223 nan 8.230 nan 0.000 0.437 572 T N 0.059 114.455 114.554 -0.263 0.000 2.720 572 T HA -0.223 4.127 4.350 -0.001 0.000 0.268 572 T C 1.978 176.574 174.700 -0.173 0.000 1.037 572 T CA 1.440 63.357 62.100 -0.305 0.000 1.144 572 T CB -0.267 68.248 68.868 -0.588 0.000 0.864 572 T HN 0.450 nan 8.240 nan 0.000 0.444 573 A N 1.408 124.143 122.820 -0.143 0.000 2.019 573 A HA -0.098 4.222 4.320 -0.001 0.000 0.219 573 A C 2.105 179.648 177.584 -0.068 0.000 1.164 573 A CA 1.273 53.258 52.037 -0.088 0.000 0.644 573 A CB -0.412 18.546 19.000 -0.070 0.000 0.805 573 A HN 0.570 nan 8.150 nan 0.000 0.449 574 E N -1.654 118.505 120.200 -0.069 0.000 2.427 574 E HA 0.177 4.527 4.350 -0.001 0.000 0.196 574 E C 1.111 177.678 176.600 -0.055 0.000 1.028 574 E CA 0.353 56.720 56.400 -0.054 0.000 0.864 574 E CB -0.100 29.570 29.700 -0.050 0.000 0.813 574 E HN 0.763 nan 8.360 nan 0.000 0.514 575 G N 1.033 109.792 108.800 -0.068 0.000 2.134 575 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.209 575 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.209 575 G C 0.232 175.095 174.900 -0.063 0.000 0.993 575 G CA -0.002 45.062 45.100 -0.061 0.000 0.669 575 G HN 0.117 nan 8.290 nan 0.000 0.519 576 V N 0.607 120.476 119.914 -0.075 0.000 2.614 576 V HA 0.282 4.401 4.120 -0.001 0.000 0.291 576 V C 1.008 177.061 176.094 -0.069 0.000 1.049 576 V CA 0.043 62.301 62.300 -0.070 0.000 1.038 576 V CB 1.386 33.168 31.823 -0.067 0.000 0.980 576 V HN 0.308 nan 8.190 nan 0.000 0.481 577 K N 4.032 124.403 120.400 -0.048 0.000 2.127 577 K HA 0.525 4.845 4.320 -0.001 0.000 0.261 577 K C 0.046 176.643 176.600 -0.006 0.000 1.129 577 K CA 0.066 56.338 56.287 -0.025 0.000 0.993 577 K CB 0.470 32.960 32.500 -0.017 0.000 1.410 577 K HN 0.813 nan 8.250 nan 0.000 0.380 578 A N 2.984 125.816 122.820 0.019 0.000 2.320 578 A HA 0.638 4.958 4.320 -0.001 0.000 0.334 578 A C -0.510 177.261 177.584 0.312 0.000 1.147 578 A CA -0.754 51.355 52.037 0.118 0.000 0.820 578 A CB 0.989 20.077 19.000 0.147 0.000 1.218 578 A HN 0.710 nan 8.150 nan 0.000 0.482 579 R N 0.735 121.402 120.500 0.278 0.000 2.725 579 R HA 0.661 5.001 4.340 -0.001 0.000 0.277 579 R C -2.180 174.218 176.300 0.164 0.000 0.987 579 R CA -0.443 55.773 56.100 0.193 0.000 0.901 579 R CB 2.028 32.361 30.300 0.055 0.000 1.207 579 R HN 0.493 nan 8.270 nan 0.000 0.463 580 V N 3.805 123.683 119.914 -0.061 0.000 2.448 580 V HA 0.390 4.509 4.120 -0.001 0.000 0.295 580 V C -0.481 175.499 176.094 -0.191 0.000 1.025 580 V CA -0.790 61.450 62.300 -0.101 0.000 0.859 580 V CB 1.728 33.395 31.823 -0.261 0.000 0.988 580 V HN 0.510 nan 8.190 nan 0.000 0.431 581 V N 3.849 123.645 119.914 -0.196 0.000 2.370 581 V HA 0.390 4.510 4.120 -0.001 0.000 0.279 581 V C 0.442 176.303 176.094 -0.389 0.000 1.029 581 V CA -0.144 61.972 62.300 -0.307 0.000 0.870 581 V CB 1.884 33.537 31.823 -0.284 0.000 0.984 581 V HN 0.888 nan 8.190 nan 0.000 0.451 582 S N 5.152 120.497 115.700 -0.591 0.000 2.475 582 S HA 0.540 5.009 4.470 -0.001 0.000 0.281 582 S C -0.204 174.125 174.600 -0.451 0.000 1.198 582 S CA -0.555 57.324 58.200 -0.535 0.000 1.063 582 S CB 0.425 63.238 63.200 -0.645 0.000 0.972 582 S HN 0.682 nan 8.310 nan 0.000 0.486 583 M N 8.927 128.357 119.600 -0.282 0.000 2.854 583 M HA 0.423 4.902 4.480 -0.001 0.000 0.203 583 M C -2.007 174.215 176.300 -0.131 0.000 1.069 583 M CA -2.074 53.083 55.300 -0.239 0.000 0.803 583 M CB 1.332 33.766 32.600 -0.277 0.000 1.380 583 M HN 0.369 nan 8.290 nan 0.000 0.494 584 P HA -0.044 nan 4.420 nan 0.000 0.218 584 P C 0.006 177.108 177.300 -0.331 0.000 1.149 584 P CA 0.839 63.916 63.100 -0.038 0.000 0.817 584 P CB 0.305 32.133 31.700 0.213 0.000 0.785 585 S N -1.062 114.266 115.700 -0.619 0.000 2.776 585 S HA 0.322 4.791 4.470 -0.001 0.000 0.284 585 S C 1.029 175.372 174.600 -0.428 0.000 1.160 585 S CA -0.277 57.390 58.200 -0.889 0.000 1.051 585 S CB 0.529 62.435 63.200 -2.156 0.000 1.037 585 S HN 0.109 nan 8.310 nan 0.000 0.485 586 T N 1.233 115.650 114.554 -0.229 0.000 2.788 586 T HA -0.157 4.192 4.350 -0.001 0.000 0.268 586 T C 1.450 176.209 174.700 0.098 0.000 1.044 586 T CA 1.655 63.767 62.100 0.019 0.000 1.139 586 T CB -0.606 68.345 68.868 0.139 0.000 0.867 586 T HN 0.787 nan 8.240 nan 0.000 0.454 587 D N 2.412 122.788 120.400 -0.039 0.000 2.117 587 D HA -0.060 4.580 4.640 -0.001 0.000 0.198 587 D C 2.352 178.668 176.300 0.027 0.000 0.982 587 D CA 1.241 55.254 54.000 0.021 0.000 0.828 587 D CB -0.521 40.288 40.800 0.015 0.000 0.967 587 D HN 0.589 nan 8.370 nan 0.000 0.464 588 A N 0.524 123.280 122.820 -0.107 0.000 1.930 588 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 588 A C 2.047 179.672 177.584 0.069 0.000 1.175 588 A CA 0.890 52.906 52.037 -0.035 0.000 0.627 588 A CB -1.098 17.750 19.000 -0.254 0.000 0.815 588 A HN 0.263 nan 8.150 nan 0.000 0.443 589 F N 1.439 121.357 119.950 -0.053 0.000 2.102 589 F HA -0.184 4.342 4.527 -0.001 0.000 0.298 589 F C 1.690 177.565 175.800 0.126 0.000 1.105 589 F CA 2.132 60.173 58.000 0.068 0.000 1.239 589 F CB -0.243 38.781 39.000 0.040 0.000 0.991 589 F HN 0.234 nan 8.300 nan 0.000 0.474 590 D N 0.331 120.827 120.400 0.160 0.000 2.182 590 D HA -0.168 4.471 4.640 -0.001 0.000 0.201 590 D C 1.974 178.264 176.300 -0.017 0.000 0.986 590 D CA 1.291 55.335 54.000 0.074 0.000 0.847 590 D CB -0.319 40.578 40.800 0.162 0.000 0.942 590 D HN 0.382 nan 8.370 nan 0.000 0.467 591 K N 0.139 120.546 120.400 0.011 0.000 2.486 591 K HA 0.011 4.331 4.320 -0.001 0.000 0.194 591 K C 0.694 177.285 176.600 -0.016 0.000 1.033 591 K CA 0.073 56.372 56.287 0.020 0.000 1.004 591 K CB 0.297 32.842 32.500 0.075 0.000 0.798 591 K HN 0.132 nan 8.250 nan 0.000 0.495 592 Q N 1.859 121.612 119.800 -0.078 0.000 2.417 592 Q HA -0.022 4.318 4.340 -0.001 0.000 0.241 592 Q C -0.035 175.936 176.000 -0.048 0.000 1.008 592 Q CA 0.293 56.048 55.803 -0.081 0.000 0.901 592 Q CB 0.334 29.011 28.738 -0.101 0.000 1.259 592 Q HN 0.361 nan 8.270 nan 0.000 0.489 593 D N -0.896 119.503 120.400 -0.002 0.000 2.378 593 D HA 0.027 4.666 4.640 -0.001 0.000 0.238 593 D C 0.350 176.666 176.300 0.026 0.000 1.180 593 D CA 0.297 54.308 54.000 0.019 0.000 0.895 593 D CB 0.772 41.595 40.800 0.037 0.000 1.192 593 D HN 0.501 nan 8.370 nan 0.000 0.438 594 A N 1.739 124.567 122.820 0.014 0.000 2.015 594 A HA 0.016 4.335 4.320 -0.001 0.000 0.219 594 A C 2.234 179.833 177.584 0.024 0.000 1.163 594 A CA 1.825 53.867 52.037 0.008 0.000 0.646 594 A CB -0.776 18.230 19.000 0.009 0.000 0.806 594 A HN 0.735 nan 8.150 nan 0.000 0.448 595 A N -1.281 121.567 122.820 0.047 0.000 1.877 595 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 595 A C 2.126 179.748 177.584 0.064 0.000 1.186 595 A CA 1.611 53.681 52.037 0.054 0.000 0.620 595 A CB -0.817 18.221 19.000 0.064 0.000 0.822 595 A HN 0.685 nan 8.150 nan 0.000 0.443 596 Y N 0.607 120.906 120.300 -0.001 0.000 2.145 596 Y HA -0.210 4.340 4.550 -0.001 0.000 0.286 596 Y C 2.548 178.462 175.900 0.023 0.000 1.145 596 Y CA 2.113 60.221 58.100 0.014 0.000 1.148 596 Y CB -0.289 38.168 38.460 -0.005 0.000 0.981 596 Y HN 0.241 nan 8.280 nan 0.000 0.507 597 R N -0.253 120.209 120.500 -0.063 0.000 2.105 597 R HA -0.211 4.128 4.340 -0.001 0.000 0.239 597 R C 2.152 178.468 176.300 0.026 0.000 1.135 597 R CA 1.622 57.648 56.100 -0.123 0.000 0.967 597 R CB -0.364 29.796 30.300 -0.234 0.000 0.861 597 R HN 0.332 nan 8.270 nan 0.000 0.442 598 E N 0.946 121.144 120.200 -0.004 0.000 2.110 598 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 598 E C 1.823 178.410 176.600 -0.022 0.000 0.988 598 E CA 1.826 58.232 56.400 0.011 0.000 0.804 598 E CB -0.071 29.636 29.700 0.012 0.000 0.745 598 E HN 0.272 nan 8.360 nan 0.000 0.458 599 S N -0.996 114.652 115.700 -0.086 0.000 2.419 599 S HA -0.100 4.369 4.470 -0.001 0.000 0.233 599 S C 1.954 176.480 174.600 -0.122 0.000 1.016 599 S CA 1.212 59.346 58.200 -0.108 0.000 0.974 599 S CB -0.322 62.790 63.200 -0.145 0.000 0.786 599 S HN 0.136 nan 8.310 nan 0.000 0.492 600 V N 0.817 120.645 119.914 -0.144 0.000 2.492 600 V HA 0.328 4.447 4.120 -0.001 0.000 0.241 600 V C 1.022 177.106 176.094 -0.016 0.000 1.041 600 V CA 0.805 63.057 62.300 -0.079 0.000 1.057 600 V CB -0.414 31.404 31.823 -0.010 0.000 0.711 600 V HN 0.448 nan 8.190 nan 0.000 0.468 601 L N 3.073 124.339 121.223 0.071 0.000 2.502 601 L HA 0.374 4.714 4.340 -0.001 0.000 0.247 601 L C -2.535 174.377 176.870 0.069 0.000 1.180 601 L CA -1.559 53.324 54.840 0.071 0.000 0.956 601 L CB 1.187 43.333 42.059 0.146 0.000 1.282 601 L HN 0.172 nan 8.230 nan 0.000 0.470 602 P HA -0.035 nan 4.420 nan 0.000 0.262 602 P C 0.492 177.810 177.300 0.029 0.000 1.182 602 P CA -0.032 63.082 63.100 0.023 0.000 0.761 602 P CB 0.685 32.389 31.700 0.007 0.000 0.795 603 K N 2.863 123.282 120.400 0.032 0.000 2.147 603 K HA -0.140 4.180 4.320 -0.001 0.000 0.205 603 K C 1.581 178.193 176.600 0.019 0.000 1.049 603 K CA 1.596 57.902 56.287 0.031 0.000 0.936 603 K CB -0.771 31.745 32.500 0.028 0.000 0.722 603 K HN 0.324 nan 8.250 nan 0.000 0.446 604 A N 1.578 124.405 122.820 0.012 0.000 2.119 604 A HA 0.098 4.417 4.320 -0.001 0.000 0.217 604 A C 0.879 178.463 177.584 -0.001 0.000 1.153 604 A CA 0.294 52.334 52.037 0.005 0.000 0.692 604 A CB 0.029 19.031 19.000 0.003 0.000 0.799 604 A HN 0.119 nan 8.150 nan 0.000 0.458 605 V N 1.767 121.680 119.914 -0.002 0.000 2.320 605 V HA 0.161 4.280 4.120 -0.001 0.000 0.265 605 V C 1.432 177.518 176.094 -0.014 0.000 1.048 605 V CA 0.568 62.859 62.300 -0.015 0.000 0.865 605 V CB 0.350 32.160 31.823 -0.023 0.000 1.043 605 V HN 0.610 nan 8.190 nan 0.000 0.474 606 T N 1.033 115.577 114.554 -0.017 0.000 3.057 606 T HA 0.182 4.531 4.350 -0.001 0.000 0.254 606 T C 1.007 175.689 174.700 -0.030 0.000 1.094 606 T CA 0.560 62.653 62.100 -0.011 0.000 1.088 606 T CB 0.265 69.131 68.868 -0.003 0.000 0.934 606 T HN 0.642 nan 8.240 nan 0.000 0.497 607 A N 2.246 125.033 122.820 -0.055 0.000 2.915 607 A HA 0.537 4.856 4.320 -0.001 0.000 0.292 607 A C 0.181 177.682 177.584 -0.138 0.000 1.632 607 A CA -0.671 51.313 52.037 -0.089 0.000 1.337 607 A CB -0.505 18.435 19.000 -0.100 0.000 1.111 607 A HN 0.519 nan 8.150 nan 0.000 0.569 608 R N 0.811 121.240 120.500 -0.117 0.000 2.494 608 R HA 0.571 4.910 4.340 -0.001 0.000 0.305 608 R C -1.368 174.839 176.300 -0.155 0.000 0.959 608 R CA -0.626 55.391 56.100 -0.140 0.000 0.864 608 R CB 2.405 32.670 30.300 -0.057 0.000 1.159 608 R HN 0.274 nan 8.270 nan 0.000 0.446 609 V N 2.519 122.298 119.914 -0.224 0.000 2.350 609 V HA 0.456 4.575 4.120 -0.001 0.000 0.285 609 V C 0.022 176.046 176.094 -0.117 0.000 1.014 609 V CA -0.873 61.331 62.300 -0.159 0.000 0.831 609 V CB 1.442 33.161 31.823 -0.174 0.000 1.000 609 V HN 0.928 nan 8.190 nan 0.000 0.433 610 A N 4.914 127.623 122.820 -0.184 0.000 2.354 610 A HA 0.796 5.115 4.320 -0.001 0.000 0.269 610 A C -0.423 176.952 177.584 -0.348 0.000 1.109 610 A CA -0.347 51.443 52.037 -0.412 0.000 0.800 610 A CB 0.927 19.565 19.000 -0.603 0.000 1.045 610 A HN 0.793 nan 8.150 nan 0.000 0.489 611 V N 2.401 122.073 119.914 -0.404 0.000 2.488 611 V HA 0.617 4.737 4.120 -0.001 0.000 0.293 611 V C -0.443 175.533 176.094 -0.196 0.000 1.027 611 V CA -0.336 61.860 62.300 -0.175 0.000 0.862 611 V CB 1.043 32.825 31.823 -0.069 0.000 1.008 611 V HN 1.040 nan 8.190 nan 0.000 0.428 612 E N 3.564 123.759 120.200 -0.009 0.000 2.388 612 E HA 0.612 4.961 4.350 -0.001 0.000 0.289 612 E C -0.583 176.104 176.600 0.146 0.000 0.944 612 E CA -0.638 55.771 56.400 0.016 0.000 0.792 612 E CB 1.949 31.670 29.700 0.035 0.000 1.239 612 E HN 0.808 nan 8.360 nan 0.000 0.412 613 A N 3.425 126.155 122.820 -0.149 0.000 3.048 613 A HA 0.561 4.880 4.320 -0.001 0.000 0.264 613 A C 0.275 177.833 177.584 -0.044 0.000 1.796 613 A CA 0.788 52.632 52.037 -0.321 0.000 1.445 613 A CB -0.618 18.036 19.000 -0.576 0.000 1.074 613 A HN 0.547 nan 8.150 nan 0.000 0.621 614 G N -0.493 108.376 108.800 0.114 0.000 2.645 614 G HA2 0.476 4.435 3.960 -0.001 0.000 0.292 614 G HA3 0.476 4.435 3.960 -0.001 0.000 0.292 614 G C -0.819 174.183 174.900 0.171 0.000 1.415 614 G CA -0.812 44.351 45.100 0.106 0.000 0.785 614 G HN 0.325 nan 8.290 nan 0.000 0.483 615 I N 1.389 122.031 120.570 0.121 0.000 2.752 615 I HA 0.322 4.492 4.170 -0.001 0.000 0.289 615 I C 1.769 178.028 176.117 0.238 0.000 1.197 615 I CA 0.725 62.097 61.300 0.121 0.000 1.432 615 I CB 1.224 39.260 38.000 0.060 0.000 1.359 615 I HN 0.710 nan 8.210 nan 0.000 0.571 616 A N 5.107 128.052 122.820 0.209 0.000 1.933 616 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 616 A C 1.832 179.569 177.584 0.255 0.000 1.175 616 A CA 1.673 53.855 52.037 0.242 0.000 0.628 616 A CB -0.598 18.483 19.000 0.135 0.000 0.814 616 A HN 0.816 nan 8.150 nan 0.000 0.444 617 D N -1.659 118.888 120.400 0.246 0.000 2.228 617 D HA -0.186 4.454 4.640 -0.001 0.000 0.203 617 D C 1.493 177.946 176.300 0.255 0.000 0.988 617 D CA 1.356 55.552 54.000 0.326 0.000 0.864 617 D CB -0.394 40.532 40.800 0.209 0.000 0.928 617 D HN 0.651 nan 8.370 nan 0.000 0.469 618 Y N -0.485 119.838 120.300 0.037 0.000 2.207 618 Y HA -0.223 4.327 4.550 -0.001 0.000 0.287 618 Y C 1.658 177.420 175.900 -0.230 0.000 1.156 618 Y CA 1.500 59.492 58.100 -0.180 0.000 1.182 618 Y CB -0.557 37.655 38.460 -0.414 0.000 0.979 618 Y HN 0.002 nan 8.280 nan 0.000 0.521 619 W N -1.443 119.839 121.300 -0.030 0.000 2.800 619 W HA -0.072 4.587 4.660 -0.001 0.000 0.249 619 W C 1.544 177.953 176.519 -0.184 0.000 1.294 619 W CA 0.503 57.801 57.345 -0.079 0.000 1.402 619 W CB -0.594 28.867 29.460 0.002 0.000 1.126 619 W HN 0.086 nan 8.180 nan 0.000 0.652 620 Y N 0.871 121.173 120.300 0.004 0.000 2.315 620 Y HA -0.284 4.265 4.550 -0.001 0.000 0.288 620 Y C 2.422 178.233 175.900 -0.149 0.000 1.154 620 Y CA 1.699 59.774 58.100 -0.041 0.000 1.229 620 Y CB -0.748 37.672 38.460 -0.065 0.000 0.980 620 Y HN -0.022 nan 8.280 nan 0.000 0.540 621 K N -0.464 119.801 120.400 -0.225 0.000 2.103 621 K HA -0.234 4.085 4.320 -0.001 0.000 0.207 621 K C 0.964 177.274 176.600 -0.483 0.000 1.048 621 K CA 1.979 57.983 56.287 -0.472 0.000 0.930 621 K CB -0.285 31.696 32.500 -0.865 0.000 0.716 621 K HN 0.368 nan 8.250 nan 0.000 0.444 622 Y N -1.116 119.189 120.300 0.008 0.000 2.498 622 Y HA 0.043 4.592 4.550 -0.001 0.000 0.259 622 Y C 1.743 177.689 175.900 0.076 0.000 1.086 622 Y CA 0.186 58.341 58.100 0.092 0.000 1.287 622 Y CB 0.744 39.321 38.460 0.195 0.000 1.146 622 Y HN 0.001 nan 8.280 nan 0.000 0.523 623 V N -3.311 116.714 119.914 0.186 0.000 3.565 623 V HA 0.603 4.722 4.120 -0.001 0.000 0.260 623 V C 1.246 177.387 176.094 0.077 0.000 1.231 623 V CA 0.410 62.766 62.300 0.092 0.000 1.100 623 V CB -0.452 31.385 31.823 0.023 0.000 0.807 623 V HN 0.385 nan 8.190 nan 0.000 0.454 624 G N 1.298 110.163 108.800 0.109 0.000 2.575 624 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.267 624 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.267 624 G C 0.252 175.272 174.900 0.200 0.000 1.264 624 G CA 0.422 45.597 45.100 0.125 0.000 0.935 624 G HN 0.571 nan 8.290 nan 0.000 0.568 625 L N 0.886 122.185 121.223 0.127 0.000 2.567 625 L HA 0.252 4.591 4.340 -0.001 0.000 0.225 625 L C 1.496 178.422 176.870 0.095 0.000 1.119 625 L CA 0.350 55.267 54.840 0.128 0.000 0.871 625 L CB -0.062 42.031 42.059 0.056 0.000 1.036 625 L HN 0.455 nan 8.230 nan 0.000 0.459 626 N N 0.131 118.870 118.700 0.065 0.000 2.351 626 N HA 0.204 4.943 4.740 -0.001 0.000 0.254 626 N C 0.386 175.907 175.510 0.018 0.000 1.241 626 N CA 0.115 53.187 53.050 0.037 0.000 0.883 626 N CB 1.601 40.102 38.487 0.022 0.000 1.202 626 N HN 0.194 nan 8.380 nan 0.000 0.512 627 G N -0.100 108.712 108.800 0.020 0.000 3.119 627 G HA2 0.812 4.771 3.960 -0.001 0.000 0.206 627 G HA3 0.812 4.771 3.960 -0.001 0.000 0.206 627 G C -1.233 173.648 174.900 -0.032 0.000 1.313 627 G CA -0.413 44.675 45.100 -0.020 0.000 1.010 627 G HN 0.173 nan 8.290 nan 0.000 0.578 628 A N -1.198 121.581 122.820 -0.067 0.000 2.556 628 A HA 0.784 5.104 4.320 -0.001 0.000 0.294 628 A C -1.418 176.105 177.584 -0.101 0.000 1.091 628 A CA -0.536 51.459 52.037 -0.069 0.000 0.704 628 A CB 1.367 20.337 19.000 -0.050 0.000 1.300 628 A HN 0.613 nan 8.150 nan 0.000 0.406 629 I N 1.204 121.713 120.570 -0.102 0.000 2.500 629 I HA 0.319 4.489 4.170 -0.001 0.000 0.286 629 I C -0.957 175.113 176.117 -0.079 0.000 1.063 629 I CA -0.734 60.501 61.300 -0.109 0.000 1.062 629 I CB 2.224 40.149 38.000 -0.125 0.000 1.223 629 I HN 0.273 nan 8.210 nan 0.000 0.435 630 V N 5.998 125.859 119.914 -0.088 0.000 2.284 630 V HA 0.641 4.761 4.120 -0.001 0.000 0.260 630 V C 0.631 176.692 176.094 -0.054 0.000 1.084 630 V CA 0.007 62.230 62.300 -0.129 0.000 0.894 630 V CB 0.316 32.055 31.823 -0.139 0.000 1.119 630 V HN 0.953 nan 8.190 nan 0.000 0.484 631 G N 4.137 112.931 108.800 -0.010 0.000 3.135 631 G HA2 0.668 4.628 3.960 -0.001 0.000 0.278 631 G HA3 0.668 4.628 3.960 -0.001 0.000 0.278 631 G C -0.942 174.097 174.900 0.231 0.000 1.302 631 G CA -0.861 44.375 45.100 0.228 0.000 0.880 631 G HN 0.238 nan 8.290 nan 0.000 0.574 632 M N 1.351 121.097 119.600 0.243 0.000 2.318 632 M HA 0.361 4.840 4.480 -0.001 0.000 0.347 632 M C 0.674 176.999 176.300 0.041 0.000 1.175 632 M CA -0.324 55.035 55.300 0.098 0.000 1.075 632 M CB 1.185 33.777 32.600 -0.012 0.000 1.614 632 M HN 0.690 nan 8.290 nan 0.000 0.456 633 T N -2.691 111.869 114.554 0.011 0.000 3.111 633 T HA 0.239 4.588 4.350 -0.001 0.000 0.284 633 T C 0.383 175.041 174.700 -0.070 0.000 0.983 633 T CA -0.106 61.990 62.100 -0.006 0.000 0.900 633 T CB -0.106 68.782 68.868 0.034 0.000 1.132 633 T HN 0.749 nan 8.240 nan 0.000 0.531 634 T N -0.857 113.630 114.554 -0.110 0.000 2.841 634 T HA 0.733 5.082 4.350 -0.001 0.000 0.296 634 T C -0.702 173.850 174.700 -0.247 0.000 1.166 634 T CA -0.889 61.121 62.100 -0.150 0.000 1.007 634 T CB 0.882 69.800 68.868 0.084 0.000 1.253 634 T HN -0.026 nan 8.240 nan 0.000 0.511 635 F N 0.929 120.878 119.950 -0.002 0.000 2.535 635 F HA 0.518 5.045 4.527 -0.001 0.000 0.332 635 F C 1.783 177.546 175.800 -0.061 0.000 1.208 635 F CA 0.693 58.676 58.000 -0.029 0.000 1.330 635 F CB -0.015 38.996 39.000 0.018 0.000 1.167 635 F HN 0.988 nan 8.300 nan 0.000 0.597 636 G N -0.197 108.683 108.800 0.133 0.000 2.489 636 G HA2 0.456 4.415 3.960 -0.001 0.000 0.271 636 G HA3 0.456 4.415 3.960 -0.001 0.000 0.271 636 G C -0.810 174.243 174.900 0.256 0.000 1.427 636 G CA -0.393 44.735 45.100 0.047 0.000 1.057 636 G HN 0.462 nan 8.290 nan 0.000 0.532 637 E N -1.349 119.004 120.200 0.255 0.000 2.390 637 E HA 0.315 4.664 4.350 -0.001 0.000 0.277 637 E C -1.142 175.517 176.600 0.098 0.000 0.939 637 E CA -0.711 55.801 56.400 0.187 0.000 0.769 637 E CB 1.860 31.682 29.700 0.202 0.000 1.251 637 E HN 0.307 nan 8.360 nan 0.000 0.450 638 S N 0.728 116.460 115.700 0.053 0.000 2.405 638 S HA 0.613 5.083 4.470 -0.001 0.000 0.291 638 S C -0.655 173.953 174.600 0.013 0.000 1.137 638 S CA 0.157 58.368 58.200 0.018 0.000 1.061 638 S CB -0.510 62.692 63.200 0.004 0.000 1.001 638 S HN 0.557 nan 8.310 nan 0.000 0.507 639 A N 6.027 128.849 122.820 0.004 0.000 2.544 639 A HA 0.719 5.039 4.320 -0.001 0.000 0.291 639 A C -3.256 174.321 177.584 -0.012 0.000 1.055 639 A CA -1.355 50.681 52.037 -0.002 0.000 0.651 639 A CB 0.428 19.430 19.000 0.002 0.000 1.296 639 A HN 0.541 nan 8.150 nan 0.000 0.431 640 P HA 0.275 nan 4.420 nan 0.000 0.266 640 P C 1.052 178.343 177.300 -0.015 0.000 1.195 640 P CA 0.920 64.017 63.100 -0.006 0.000 0.768 640 P CB 0.800 32.506 31.700 0.009 0.000 0.838 641 A N 3.473 126.278 122.820 -0.026 0.000 1.884 641 A HA -0.297 4.022 4.320 -0.001 0.000 0.219 641 A C 2.145 179.752 177.584 0.039 0.000 1.197 641 A CA 2.177 54.173 52.037 -0.067 0.000 0.637 641 A CB -1.449 17.555 19.000 0.006 0.000 0.827 641 A HN 0.668 nan 8.150 nan 0.000 0.450 642 E N -0.362 119.917 120.200 0.131 0.000 2.097 642 E HA -0.210 4.139 4.350 -0.001 0.000 0.196 642 E C 1.931 178.623 176.600 0.155 0.000 1.000 642 E CA 1.490 58.004 56.400 0.189 0.000 0.804 642 E CB -0.229 29.538 29.700 0.113 0.000 0.740 642 E HN 0.669 nan 8.360 nan 0.000 0.454 643 L N 0.380 121.650 121.223 0.078 0.000 2.156 643 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 643 L C 2.529 179.427 176.870 0.048 0.000 1.095 643 L CA 0.471 55.342 54.840 0.052 0.000 0.770 643 L CB -0.303 41.767 42.059 0.018 0.000 0.914 643 L HN 0.222 nan 8.230 nan 0.000 0.439 644 L N -1.225 120.015 121.223 0.029 0.000 2.017 644 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 644 L C 2.601 179.585 176.870 0.191 0.000 1.073 644 L CA 1.355 56.234 54.840 0.066 0.000 0.745 644 L CB -0.586 41.460 42.059 -0.021 0.000 0.894 644 L HN 0.111 nan 8.230 nan 0.000 0.432 645 F N 0.454 120.535 119.950 0.218 0.000 2.126 645 F HA -0.247 4.280 4.527 -0.001 0.000 0.299 645 F C 2.659 178.626 175.800 0.279 0.000 1.096 645 F CA 1.714 59.888 58.000 0.289 0.000 1.255 645 F CB -0.598 38.494 39.000 0.153 0.000 0.997 645 F HN 0.161 nan 8.300 nan 0.000 0.479 646 E N 0.280 120.671 120.200 0.319 0.000 2.038 646 E HA -0.306 4.043 4.350 -0.001 0.000 0.195 646 E C 2.196 178.846 176.600 0.084 0.000 1.000 646 E CA 1.542 58.042 56.400 0.167 0.000 0.803 646 E CB -0.147 29.612 29.700 0.097 0.000 0.750 646 E HN 0.346 nan 8.360 nan 0.000 0.448 647 E N -0.213 119.989 120.200 0.003 0.000 2.085 647 E HA -0.188 4.161 4.350 -0.001 0.000 0.194 647 E C 1.269 177.711 176.600 -0.264 0.000 0.994 647 E CA 1.459 57.736 56.400 -0.205 0.000 0.801 647 E CB -0.297 29.166 29.700 -0.395 0.000 0.743 647 E HN 0.319 nan 8.360 nan 0.000 0.453 648 F N -0.780 119.243 119.950 0.121 0.000 2.732 648 F HA 0.341 4.867 4.527 -0.001 0.000 0.303 648 F C 1.576 177.321 175.800 -0.091 0.000 1.110 648 F CA 0.608 58.672 58.000 0.106 0.000 1.355 648 F CB 0.707 39.874 39.000 0.277 0.000 1.081 648 F HN 0.225 nan 8.300 nan 0.000 0.565 649 G N -0.344 108.484 108.800 0.046 0.000 2.141 649 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.231 649 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.231 649 G C 0.160 174.895 174.900 -0.275 0.000 0.984 649 G CA -0.525 44.491 45.100 -0.139 0.000 0.660 649 G HN 0.220 nan 8.290 nan 0.000 0.525 650 F N 2.826 122.875 119.950 0.165 0.000 2.640 650 F HA 0.475 5.001 4.527 -0.001 0.000 0.354 650 F C 1.288 177.112 175.800 0.040 0.000 1.213 650 F CA 0.561 58.627 58.000 0.110 0.000 1.314 650 F CB 0.167 39.295 39.000 0.214 0.000 1.679 650 F HN 0.255 nan 8.300 nan 0.000 0.622 651 T N -3.750 110.846 114.554 0.070 0.000 2.907 651 T HA 0.421 4.771 4.350 -0.001 0.000 0.292 651 T C 0.847 175.539 174.700 -0.014 0.000 1.043 651 T CA -0.776 61.344 62.100 0.032 0.000 1.003 651 T CB 1.751 70.633 68.868 0.024 0.000 1.084 651 T HN -0.083 nan 8.240 nan 0.000 0.483 652 V N 1.312 121.209 119.914 -0.028 0.000 2.287 652 V HA -0.159 3.960 4.120 -0.001 0.000 0.248 652 V C 2.397 178.471 176.094 -0.033 0.000 1.053 652 V CA 2.157 64.428 62.300 -0.049 0.000 1.027 652 V CB -0.795 30.998 31.823 -0.051 0.000 0.646 652 V HN 0.895 nan 8.190 nan 0.000 0.447 653 D N 0.020 120.409 120.400 -0.019 0.000 2.123 653 D HA -0.179 4.460 4.640 -0.001 0.000 0.196 653 D C 2.081 178.375 176.300 -0.010 0.000 0.992 653 D CA 1.742 55.735 54.000 -0.012 0.000 0.833 653 D CB -0.446 40.349 40.800 -0.009 0.000 0.954 653 D HN 0.488 nan 8.370 nan 0.000 0.455 654 N N -0.036 118.653 118.700 -0.020 0.000 2.171 654 N HA -0.112 4.627 4.740 -0.001 0.000 0.184 654 N C 1.667 177.165 175.510 -0.020 0.000 1.021 654 N CA 0.758 53.791 53.050 -0.029 0.000 0.854 654 N CB -0.051 38.401 38.487 -0.058 0.000 0.994 654 N HN -0.055 nan 8.380 nan 0.000 0.426 655 V N -0.112 119.789 119.914 -0.021 0.000 2.295 655 V HA -0.189 3.930 4.120 -0.001 0.000 0.246 655 V C 2.319 178.471 176.094 0.098 0.000 1.049 655 V CA 1.406 63.719 62.300 0.021 0.000 1.024 655 V CB -0.583 31.216 31.823 -0.041 0.000 0.648 655 V HN 0.178 nan 8.190 nan 0.000 0.447 656 V N 0.341 120.289 119.914 0.056 0.000 2.287 656 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 656 V C 2.736 178.869 176.094 0.065 0.000 1.053 656 V CA 2.145 64.495 62.300 0.083 0.000 1.027 656 V CB -1.181 30.662 31.823 0.032 0.000 0.646 656 V HN 0.568 nan 8.190 nan 0.000 0.447 657 A N -0.450 122.392 122.820 0.037 0.000 1.908 657 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 657 A C 2.278 179.884 177.584 0.036 0.000 1.181 657 A CA 1.727 53.783 52.037 0.031 0.000 0.627 657 A CB -0.414 18.596 19.000 0.016 0.000 0.818 657 A HN 0.427 nan 8.150 nan 0.000 0.445 658 K N -0.158 120.261 120.400 0.032 0.000 2.097 658 K HA -0.016 4.304 4.320 -0.001 0.000 0.205 658 K C 2.258 178.870 176.600 0.020 0.000 1.050 658 K CA 1.265 57.565 56.287 0.022 0.000 0.938 658 K CB -0.731 31.774 32.500 0.010 0.000 0.718 658 K HN 0.464 nan 8.250 nan 0.000 0.442 659 A N 1.905 124.750 122.820 0.041 0.000 1.873 659 A HA -0.158 4.161 4.320 -0.001 0.000 0.215 659 A C 2.106 179.670 177.584 -0.033 0.000 1.186 659 A CA 1.460 53.486 52.037 -0.020 0.000 0.616 659 A CB -0.298 18.727 19.000 0.043 0.000 0.823 659 A HN 0.231 nan 8.150 nan 0.000 0.442 660 K N -0.353 120.048 120.400 0.001 0.000 2.097 660 K HA -0.170 4.149 4.320 -0.001 0.000 0.206 660 K C 1.930 178.546 176.600 0.027 0.000 1.049 660 K CA 1.503 57.774 56.287 -0.026 0.000 0.933 660 K CB -0.194 32.309 32.500 0.005 0.000 0.717 660 K HN 0.613 nan 8.250 nan 0.000 0.442 661 E N 0.830 121.087 120.200 0.094 0.000 2.097 661 E HA -0.196 4.154 4.350 -0.001 0.000 0.196 661 E C 2.001 178.689 176.600 0.147 0.000 1.000 661 E CA 1.026 57.523 56.400 0.161 0.000 0.804 661 E CB -0.062 29.682 29.700 0.074 0.000 0.740 661 E HN 0.261 nan 8.360 nan 0.000 0.454 662 L N 0.310 121.557 121.223 0.039 0.000 2.093 662 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 662 L C 2.213 179.074 176.870 -0.015 0.000 1.085 662 L CA 0.648 55.490 54.840 0.003 0.000 0.755 662 L CB -0.204 41.823 42.059 -0.052 0.000 0.904 662 L HN 0.181 nan 8.230 nan 0.000 0.435 663 L N -1.386 119.788 121.223 -0.081 0.000 2.551 663 L HA -0.071 4.269 4.340 -0.001 0.000 0.228 663 L C 0.946 177.715 176.870 -0.169 0.000 1.153 663 L CA -0.077 54.678 54.840 -0.142 0.000 0.851 663 L CB -0.691 41.260 42.059 -0.180 0.000 0.959 663 L HN 0.268 nan 8.230 nan 0.000 0.451 664 H N 0.000 119.055 119.070 -0.024 0.000 2.539 664 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 664 H CA 0.000 56.037 56.048 -0.018 0.000 1.023 664 H CB 0.000 29.753 29.762 -0.015 0.000 1.292 664 H HN 0.000 nan 8.280 nan 0.000 0.496