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 3hhd_1_A DATA FIRST_RESID 1 DATA SEQUENCE GEEVVIAGMS GKLPESENLQ EFWDNLIGGV DMVTDDDRRW KAGLYGLPRR DATA SEQUENCE SGKLKDLSRF DASFFGVHPK QAHTMDPQLR LLLEVTYEAI VDGGINPDSL DATA SEQUENCE RGTHTGVWVG VSGSETSEAL SRDPETLVGY SMVGCQRAMM ANRLSFFFDF DATA SEQUENCE RGPSIALDTA CSSSLMALQN AYQAIHSGQC PAAIVGGINV LLKPNTSVQF DATA SEQUENCE LRLGMLSPEG TCKAFDTAGN GYCRSEGVVA VLLTKKSLAR RVYATILNAG DATA SEQUENCE TNTDGFKEQG VTFPSGDIQE QLIRSLYQSA GVAPESFEYI EAHGTGTKVG DATA SEQUENCE DPQELNGITR ALCATRQEPL LIGSTKSNMG HPEPASGLAA LAKVLLSLEH DATA SEQUENCE GLWAPNLHFH SPNPEIPALL DGRLQVVDQP LPVRGGNVGI NSFGFGGSNV DATA SEQUENCE HIILRPNTQP PPAPAPHATL PRLLRASGRT PEAVQKLLEQ GLRHSQDLAF DATA SEQUENCE LSMLNDIAAV PATAMPFRGY AVLGGERGGP EVQQVPAGER PLWFICSGMG DATA SEQUENCE TQWRGMGLSL MRLDRFRDSI LRSDEAVKPF GLKVSQLLLS TDESTFDDIV DATA SEQUENCE HSFVSLTAIQ IGLIDLLSCM GLRPDGIVGH SLGEVACGYA DGCLSQEEAV DATA SEQUENCE LAAYWRGQCI KEAHLPPGAM AAVGLSWEEC KQRCPPGVVP ACHNSKDTVT DATA SEQUENCE ISGPQAPVFE FVEQLRKEGV FAKEVRTGGM AFHSYFMEAI APPLLQELKK DATA SEQUENCE VIREPKPRSA RWLSTSIPEA QWHSSLARTS SAEYNVNNLV SPVLFQEALW DATA SEQUENCE HVPEHAVVLE IAPHALLQAV LKRGLKPSCT IIPLMKKDHR DNLEFFLAGI DATA SEQUENCE GRLHLSGIDA NPNALFPPVE FPAPRGTPLI SPLIKWDHSL AWDVPAAEDF DATA SEQUENCE PN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.735 174.900 -0.275 0.000 0.946 1 G CA 0.000 44.818 45.100 -0.470 0.000 0.502 2 E N 0.610 120.620 120.200 -0.317 0.000 2.301 2 E HA 0.489 4.839 4.350 -0.000 0.000 0.275 2 E C -0.149 176.489 176.600 0.064 0.000 1.030 2 E CA -0.388 55.957 56.400 -0.091 0.000 0.852 2 E CB 1.343 30.986 29.700 -0.096 0.000 1.060 2 E HN 0.470 nan 8.360 nan 0.000 0.401 3 E N 2.493 122.736 120.200 0.072 0.000 2.290 3 E HA 0.240 4.590 4.350 -0.000 0.000 0.277 3 E C -1.185 175.474 176.600 0.099 0.000 1.035 3 E CA -0.507 55.960 56.400 0.113 0.000 0.873 3 E CB 0.686 30.434 29.700 0.079 0.000 1.029 3 E HN 0.244 nan 8.360 nan 0.000 0.419 4 V N 6.232 126.234 119.914 0.146 0.000 2.370 4 V HA 0.337 4.457 4.120 -0.000 0.000 0.283 4 V C 0.002 176.171 176.094 0.126 0.000 1.023 4 V CA -0.683 61.700 62.300 0.138 0.000 0.857 4 V CB 0.963 32.915 31.823 0.215 0.000 0.985 4 V HN 0.584 nan 8.190 nan 0.000 0.443 5 V N 3.096 123.062 119.914 0.087 0.000 2.919 5 V HA 0.669 4.789 4.120 -0.000 0.000 0.316 5 V C -0.344 175.800 176.094 0.083 0.000 1.077 5 V CA -1.006 61.340 62.300 0.077 0.000 0.977 5 V CB 2.179 34.033 31.823 0.052 0.000 1.039 5 V HN 0.640 nan 8.190 nan 0.000 0.441 6 I N 2.932 123.565 120.570 0.105 0.000 2.301 6 I HA 0.491 4.661 4.170 -0.000 0.000 0.292 6 I C 1.153 177.382 176.117 0.187 0.000 1.046 6 I CA 0.040 61.426 61.300 0.144 0.000 1.282 6 I CB 1.421 39.517 38.000 0.161 0.000 1.409 6 I HN 0.895 nan 8.210 nan 0.000 0.484 7 A N 5.057 127.958 122.820 0.134 0.000 2.169 7 A HA 0.585 4.904 4.320 -0.000 0.000 0.210 7 A C 0.952 178.604 177.584 0.113 0.000 1.168 7 A CA 0.453 52.529 52.037 0.066 0.000 0.813 7 A CB 0.257 19.261 19.000 0.007 0.000 0.861 7 A HN 0.761 nan 8.150 nan 0.000 0.481 8 G N -0.707 108.242 108.800 0.249 0.000 2.632 8 G HA2 0.570 4.530 3.960 -0.000 0.000 0.292 8 G HA3 0.570 4.530 3.960 -0.000 0.000 0.292 8 G C -0.945 174.108 174.900 0.254 0.000 1.465 8 G CA -0.190 45.092 45.100 0.302 0.000 0.824 8 G HN 0.742 nan 8.290 nan 0.000 0.509 9 M N -0.714 119.019 119.600 0.221 0.000 2.578 9 M HA 0.885 5.365 4.480 -0.000 0.000 0.276 9 M C -0.975 175.389 176.300 0.107 0.000 1.245 9 M CA -0.932 54.422 55.300 0.089 0.000 0.871 9 M CB 2.045 34.606 32.600 -0.066 0.000 1.722 9 M HN 0.888 nan 8.290 nan 0.000 0.473 10 S N -0.495 115.261 115.700 0.093 0.000 2.615 10 S HA 1.018 5.488 4.470 -0.000 0.000 0.269 10 S C -1.206 173.441 174.600 0.079 0.000 1.161 10 S CA 0.150 58.420 58.200 0.117 0.000 0.817 10 S CB 2.289 65.595 63.200 0.176 0.000 1.131 10 S HN 1.586 nan 8.310 nan 0.000 0.467 11 G N 1.443 110.289 108.800 0.076 0.000 2.387 11 G HA2 0.491 4.451 3.960 -0.000 0.000 0.294 11 G HA3 0.491 4.451 3.960 -0.000 0.000 0.294 11 G C -2.469 172.438 174.900 0.012 0.000 1.509 11 G CA -0.727 44.382 45.100 0.015 0.000 0.806 11 G HN 0.608 nan 8.290 nan 0.000 0.546 12 K N 0.504 120.889 120.400 -0.025 0.000 2.463 12 K HA 0.673 4.993 4.320 -0.000 0.000 0.255 12 K C -0.880 175.663 176.600 -0.096 0.000 0.942 12 K CA -0.531 55.744 56.287 -0.021 0.000 0.814 12 K CB 2.323 34.831 32.500 0.014 0.000 1.122 12 K HN 0.354 nan 8.250 nan 0.000 0.425 13 L N 2.538 123.683 121.223 -0.130 0.000 2.257 13 L HA 0.547 4.887 4.340 -0.000 0.000 0.257 13 L C -2.466 174.372 176.870 -0.053 0.000 1.033 13 L CA -2.711 52.016 54.840 -0.188 0.000 0.835 13 L CB 1.928 43.657 42.059 -0.550 0.000 1.398 13 L HN 0.329 nan 8.230 nan 0.000 0.429 14 P HA 0.010 nan 4.420 nan 0.000 0.262 14 P C -0.544 176.793 177.300 0.062 0.000 1.182 14 P CA 0.498 63.614 63.100 0.025 0.000 0.761 14 P CB 0.264 31.987 31.700 0.039 0.000 0.795 15 E N -0.221 120.005 120.200 0.044 0.000 2.883 15 E HA -0.191 4.159 4.350 -0.000 0.000 0.271 15 E C -0.671 175.978 176.600 0.082 0.000 1.049 15 E CA 1.224 57.656 56.400 0.054 0.000 0.817 15 E CB -2.231 27.500 29.700 0.051 0.000 1.407 15 E HN 0.406 nan 8.360 nan 0.000 0.434 16 S N -0.033 115.721 115.700 0.089 0.000 2.789 16 S HA 0.323 4.793 4.470 -0.000 0.000 0.286 16 S C 0.698 175.352 174.600 0.091 0.000 1.153 16 S CA -0.723 57.550 58.200 0.122 0.000 1.084 16 S CB 1.997 65.318 63.200 0.202 0.000 1.036 16 S HN 0.056 nan 8.310 nan 0.000 0.484 17 E N 2.799 123.061 120.200 0.104 0.000 2.358 17 E HA 0.007 4.357 4.350 -0.000 0.000 0.195 17 E C 0.406 177.085 176.600 0.133 0.000 1.010 17 E CA 0.959 57.426 56.400 0.111 0.000 0.856 17 E CB 0.174 29.947 29.700 0.122 0.000 0.795 17 E HN 0.792 nan 8.360 nan 0.000 0.504 18 N N -2.928 115.857 118.700 0.142 0.000 3.106 18 N HA 0.109 4.849 4.740 -0.000 0.000 0.253 18 N C -0.017 175.605 175.510 0.187 0.000 1.506 18 N CA -0.611 52.533 53.050 0.157 0.000 0.876 18 N CB 0.015 38.605 38.487 0.172 0.000 1.452 18 N HN -0.123 nan 8.380 nan 0.000 0.542 19 L N -1.125 120.216 121.223 0.198 0.000 2.291 19 L HA -0.012 4.328 4.340 -0.000 0.000 0.214 19 L C 2.109 179.171 176.870 0.320 0.000 1.120 19 L CA 1.090 56.093 54.840 0.271 0.000 0.799 19 L CB -0.382 41.804 42.059 0.211 0.000 0.925 19 L HN 0.675 nan 8.230 nan 0.000 0.446 20 Q N 0.842 120.795 119.800 0.255 0.000 2.083 20 Q HA -0.182 4.158 4.340 -0.000 0.000 0.198 20 Q C 1.953 178.105 176.000 0.254 0.000 0.969 20 Q CA 1.614 57.572 55.803 0.259 0.000 0.838 20 Q CB 0.030 28.887 28.738 0.200 0.000 0.900 20 Q HN 0.432 nan 8.270 nan 0.000 0.436 21 E N -0.830 119.498 120.200 0.214 0.000 2.106 21 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 21 E C 1.632 178.359 176.600 0.211 0.000 0.984 21 E CA 0.762 57.265 56.400 0.172 0.000 0.806 21 E CB -0.237 29.553 29.700 0.150 0.000 0.750 21 E HN 0.328 nan 8.360 nan 0.000 0.458 22 F N 1.355 121.366 119.950 0.100 0.000 2.102 22 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 22 F C 2.060 177.913 175.800 0.089 0.000 1.105 22 F CA 1.392 59.444 58.000 0.087 0.000 1.239 22 F CB -0.524 38.542 39.000 0.109 0.000 0.991 22 F HN 0.174 nan 8.300 nan 0.000 0.474 23 W N 1.582 122.853 121.300 -0.049 0.000 2.335 23 W HA -0.250 4.410 4.660 -0.000 0.000 0.311 23 W C 1.815 178.204 176.519 -0.217 0.000 1.213 23 W CA 1.923 59.131 57.345 -0.228 0.000 1.274 23 W CB -0.553 28.795 29.460 -0.187 0.000 1.148 23 W HN 0.050 nan 8.180 nan 0.000 0.498 24 D N 0.425 120.706 120.400 -0.199 0.000 2.104 24 D HA -0.234 4.406 4.640 -0.000 0.000 0.194 24 D C 1.700 177.800 176.300 -0.332 0.000 0.994 24 D CA 1.583 55.419 54.000 -0.275 0.000 0.830 24 D CB -0.888 39.877 40.800 -0.058 0.000 0.959 24 D HN 0.171 nan 8.370 nan 0.000 0.452 25 N N 0.467 119.032 118.700 -0.224 0.000 2.084 25 N HA -0.093 4.646 4.740 -0.000 0.000 0.190 25 N C 2.156 177.464 175.510 -0.336 0.000 1.030 25 N CA 0.456 53.384 53.050 -0.202 0.000 0.849 25 N CB -0.469 37.972 38.487 -0.076 0.000 1.012 25 N HN 0.246 nan 8.380 nan 0.000 0.423 26 L N 0.142 121.055 121.223 -0.516 0.000 1.976 26 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 26 L C 2.201 178.696 176.870 -0.625 0.000 1.071 26 L CA 0.893 55.382 54.840 -0.584 0.000 0.746 26 L CB -0.387 41.241 42.059 -0.718 0.000 0.890 26 L HN 0.079 nan 8.230 nan 0.000 0.432 27 I N 0.065 120.039 120.570 -0.994 0.000 2.614 27 I HA -0.103 4.066 4.170 -0.000 0.000 0.258 27 I C 2.011 177.842 176.117 -0.477 0.000 1.189 27 I CA 1.047 61.826 61.300 -0.870 0.000 1.462 27 I CB -0.298 36.920 38.000 -1.303 0.000 1.092 27 I HN 0.127 nan 8.210 nan 0.000 0.442 28 G N -0.683 107.872 108.800 -0.408 0.000 2.985 28 G HA2 0.218 4.178 3.960 -0.000 0.000 0.209 28 G HA3 0.218 4.178 3.960 -0.000 0.000 0.209 28 G C 1.316 176.102 174.900 -0.190 0.000 1.165 28 G CA 0.252 45.205 45.100 -0.246 0.000 0.776 28 G HN 0.666 nan 8.290 nan 0.000 0.541 29 G N -0.551 108.120 108.800 -0.215 0.000 2.225 29 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.267 29 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.267 29 G C 0.267 175.086 174.900 -0.136 0.000 1.024 29 G CA 0.251 45.251 45.100 -0.167 0.000 0.784 29 G HN 0.704 nan 8.290 nan 0.000 0.507 30 V N 0.711 120.544 119.914 -0.134 0.000 2.508 30 V HA 0.293 4.413 4.120 -0.000 0.000 0.281 30 V C 0.685 176.741 176.094 -0.064 0.000 1.041 30 V CA -0.558 61.690 62.300 -0.086 0.000 1.016 30 V CB 1.603 33.382 31.823 -0.073 0.000 0.984 30 V HN 0.374 nan 8.190 nan 0.000 0.478 31 D N 4.418 124.798 120.400 -0.032 0.000 2.339 31 D HA 0.196 4.836 4.640 -0.000 0.000 0.256 31 D C 0.681 176.999 176.300 0.031 0.000 1.214 31 D CA 0.051 54.058 54.000 0.011 0.000 0.877 31 D CB 1.237 42.073 40.800 0.059 0.000 1.111 31 D HN 0.495 nan 8.370 nan 0.000 0.478 32 M N 2.140 121.769 119.600 0.049 0.000 2.556 32 M HA 0.065 4.545 4.480 -0.000 0.000 0.245 32 M C 0.289 176.619 176.300 0.051 0.000 1.128 32 M CA 0.066 55.402 55.300 0.060 0.000 1.069 32 M CB 0.594 33.258 32.600 0.106 0.000 1.469 32 M HN 0.086 nan 8.290 nan 0.000 0.494 33 V N 1.547 121.494 119.914 0.055 0.000 2.530 33 V HA 0.241 4.361 4.120 -0.000 0.000 0.282 33 V C 0.555 176.661 176.094 0.021 0.000 1.048 33 V CA -0.244 62.078 62.300 0.037 0.000 0.997 33 V CB 0.787 32.638 31.823 0.048 0.000 0.987 33 V HN 0.419 nan 8.190 nan 0.000 0.477 34 T N 0.204 114.756 114.554 -0.003 0.000 2.858 34 T HA 0.586 4.936 4.350 -0.000 0.000 0.285 34 T C -0.372 174.310 174.700 -0.031 0.000 1.052 34 T CA -0.428 61.664 62.100 -0.013 0.000 1.009 34 T CB 2.068 70.925 68.868 -0.019 0.000 1.241 34 T HN 0.659 nan 8.240 nan 0.000 0.542 35 D N -1.137 119.244 120.400 -0.030 0.000 2.720 35 D HA 0.202 4.842 4.640 -0.000 0.000 0.285 35 D C -0.280 175.992 176.300 -0.046 0.000 1.359 35 D CA -0.518 53.460 54.000 -0.037 0.000 0.818 35 D CB -0.604 40.185 40.800 -0.018 0.000 1.108 35 D HN 0.755 nan 8.370 nan 0.000 0.474 36 D N -0.979 119.385 120.400 -0.060 0.000 2.451 36 D HA 0.184 4.823 4.640 -0.000 0.000 0.259 36 D C 0.109 176.352 176.300 -0.095 0.000 1.201 36 D CA -0.634 53.331 54.000 -0.060 0.000 1.028 36 D CB 0.735 41.506 40.800 -0.048 0.000 1.095 36 D HN -0.224 nan 8.370 nan 0.000 0.539 37 D N -0.775 119.580 120.400 -0.075 0.000 2.434 37 D HA 0.053 4.693 4.640 -0.000 0.000 0.232 37 D C 1.325 177.566 176.300 -0.098 0.000 1.166 37 D CA -0.059 53.891 54.000 -0.083 0.000 0.830 37 D CB 0.031 40.816 40.800 -0.026 0.000 0.960 37 D HN 0.372 nan 8.370 nan 0.000 0.497 38 R N 0.588 121.015 120.500 -0.122 0.000 2.113 38 R HA -0.147 4.193 4.340 -0.000 0.000 0.244 38 R C 1.773 178.005 176.300 -0.114 0.000 1.142 38 R CA 1.474 57.511 56.100 -0.104 0.000 0.953 38 R CB 0.278 30.512 30.300 -0.110 0.000 0.860 38 R HN 0.049 nan 8.270 nan 0.000 0.438 39 R N -1.560 118.790 120.500 -0.250 0.000 2.146 39 R HA 0.042 4.382 4.340 -0.000 0.000 0.206 39 R C 0.069 176.381 176.300 0.020 0.000 1.049 39 R CA 0.721 56.690 56.100 -0.218 0.000 1.029 39 R CB 0.351 30.325 30.300 -0.544 0.000 0.949 39 R HN 0.232 nan 8.270 nan 0.000 0.471 40 W N -0.373 120.934 121.300 0.012 0.000 3.059 40 W HA 0.437 5.097 4.660 -0.000 0.000 0.329 40 W C -1.304 175.196 176.519 -0.032 0.000 1.246 40 W CA -1.373 55.967 57.345 -0.008 0.000 1.190 40 W CB 0.057 29.508 29.460 -0.015 0.000 1.423 40 W HN -0.378 nan 8.180 nan 0.000 0.571 41 K N 1.992 122.547 120.400 0.258 0.000 2.511 41 K HA 0.346 4.665 4.320 -0.000 0.000 0.280 41 K C 0.616 177.329 176.600 0.187 0.000 1.008 41 K CA 0.712 57.079 56.287 0.134 0.000 1.050 41 K CB 0.421 32.953 32.500 0.053 0.000 0.889 41 K HN 0.621 nan 8.250 nan 0.000 0.484 42 A N 2.803 125.675 122.820 0.087 0.000 2.561 42 A HA 0.273 4.593 4.320 -0.000 0.000 0.251 42 A C 1.368 179.002 177.584 0.083 0.000 1.062 42 A CA 0.742 52.823 52.037 0.074 0.000 0.761 42 A CB -0.815 18.200 19.000 0.025 0.000 0.986 42 A HN 0.993 nan 8.150 nan 0.000 0.510 43 G N 1.140 110.009 108.800 0.116 0.000 2.162 43 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.260 43 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.260 43 G C 0.211 175.128 174.900 0.029 0.000 0.976 43 G CA 0.267 45.411 45.100 0.073 0.000 0.655 43 G HN 1.677 nan 8.290 nan 0.000 0.533 44 L N 0.177 121.398 121.223 -0.003 0.000 2.559 44 L HA 0.393 4.733 4.340 -0.000 0.000 0.282 44 L C 1.383 178.123 176.870 -0.217 0.000 1.232 44 L CA 0.655 55.340 54.840 -0.259 0.000 0.885 44 L CB -0.486 41.306 42.059 -0.444 0.000 1.131 44 L HN 0.660 nan 8.230 nan 0.000 0.498 45 Y N 2.958 123.229 120.300 -0.049 0.000 4.469 45 Y HA -0.206 4.344 4.550 -0.000 0.000 0.220 45 Y C 1.567 177.444 175.900 -0.039 0.000 1.078 45 Y CA 1.252 59.315 58.100 -0.061 0.000 1.881 45 Y CB -2.245 36.147 38.460 -0.114 0.000 1.608 45 Y HN 1.005 nan 8.280 nan 0.000 0.634 46 G N -1.031 107.826 108.800 0.095 0.000 2.143 46 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.248 46 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.248 46 G C 0.209 175.148 174.900 0.065 0.000 0.991 46 G CA 0.076 45.215 45.100 0.065 0.000 0.689 46 G HN 0.518 nan 8.290 nan 0.000 0.522 47 L N 0.486 121.760 121.223 0.086 0.000 2.472 47 L HA 0.370 4.710 4.340 -0.000 0.000 0.260 47 L C -1.322 175.610 176.870 0.103 0.000 1.209 47 L CA -1.870 53.034 54.840 0.106 0.000 0.817 47 L CB 0.278 42.438 42.059 0.169 0.000 1.106 47 L HN -0.067 nan 8.230 nan 0.000 0.479 48 P HA 0.107 nan 4.420 nan 0.000 0.269 48 P C -0.018 177.335 177.300 0.087 0.000 1.215 48 P CA -0.222 62.916 63.100 0.062 0.000 0.780 48 P CB 0.547 32.267 31.700 0.034 0.000 0.898 49 R N 1.351 121.881 120.500 0.050 0.000 2.119 49 R HA 0.028 4.368 4.340 -0.000 0.000 0.222 49 R C 0.597 176.899 176.300 0.004 0.000 1.088 49 R CA 0.798 56.920 56.100 0.037 0.000 0.984 49 R CB -0.026 30.285 30.300 0.018 0.000 0.884 49 R HN 0.499 nan 8.270 nan 0.000 0.447 50 R N 1.144 121.644 120.500 0.000 0.000 2.410 50 R HA 0.175 4.515 4.340 -0.000 0.000 0.288 50 R C -0.158 176.132 176.300 -0.016 0.000 1.051 50 R CA 0.077 56.168 56.100 -0.016 0.000 1.021 50 R CB 1.398 31.690 30.300 -0.014 0.000 1.032 50 R HN 0.108 nan 8.270 nan 0.000 0.481 51 S N -0.226 115.453 115.700 -0.036 0.000 2.578 51 S HA 0.417 4.887 4.470 -0.000 0.000 0.272 51 S C -0.639 173.940 174.600 -0.035 0.000 1.145 51 S CA -1.082 57.099 58.200 -0.032 0.000 0.835 51 S CB 1.472 64.631 63.200 -0.068 0.000 1.104 51 S HN 0.676 nan 8.310 nan 0.000 0.458 52 G N 1.056 109.849 108.800 -0.012 0.000 2.338 52 G HA2 0.563 4.523 3.960 -0.000 0.000 0.295 52 G HA3 0.563 4.523 3.960 -0.000 0.000 0.295 52 G C -0.843 174.039 174.900 -0.030 0.000 1.132 52 G CA -0.631 44.467 45.100 -0.003 0.000 0.922 52 G HN 0.693 nan 8.290 nan 0.000 0.427 53 K N 2.414 122.791 120.400 -0.038 0.000 2.316 53 K HA 0.415 4.735 4.320 -0.000 0.000 0.251 53 K C -0.079 176.503 176.600 -0.030 0.000 0.934 53 K CA -0.772 55.483 56.287 -0.054 0.000 0.802 53 K CB 2.621 35.065 32.500 -0.092 0.000 1.171 53 K HN 0.319 nan 8.250 nan 0.000 0.426 54 L N 2.812 124.019 121.223 -0.028 0.000 2.467 54 L HA 0.108 4.448 4.340 -0.000 0.000 0.270 54 L C 1.428 178.293 176.870 -0.008 0.000 1.205 54 L CA 0.038 54.870 54.840 -0.013 0.000 0.828 54 L CB 0.318 42.369 42.059 -0.013 0.000 1.101 54 L HN 0.634 nan 8.230 nan 0.000 0.479 55 K N 0.228 120.632 120.400 0.007 0.000 2.147 55 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 55 K C 0.081 176.685 176.600 0.007 0.000 1.049 55 K CA 1.100 57.394 56.287 0.011 0.000 0.936 55 K CB 0.065 32.582 32.500 0.029 0.000 0.722 55 K HN 0.505 nan 8.250 nan 0.000 0.446 56 D N -1.456 118.948 120.400 0.007 0.000 2.837 56 D HA 0.179 4.819 4.640 -0.000 0.000 0.220 56 D C -0.452 175.845 176.300 -0.005 0.000 1.236 56 D CA -0.366 53.635 54.000 0.002 0.000 0.838 56 D CB 1.653 42.454 40.800 0.002 0.000 1.647 56 D HN -0.153 nan 8.370 nan 0.000 0.486 57 L N 1.631 122.855 121.223 0.001 0.000 2.858 57 L HA 0.085 4.425 4.340 -0.000 0.000 0.251 57 L C 1.745 178.628 176.870 0.022 0.000 1.149 57 L CA 0.118 54.959 54.840 0.002 0.000 0.955 57 L CB 0.402 42.469 42.059 0.015 0.000 1.289 57 L HN 0.309 nan 8.230 nan 0.000 0.542 58 S N -1.210 114.511 115.700 0.035 0.000 2.548 58 S HA 0.168 4.638 4.470 -0.000 0.000 0.215 58 S C 0.925 175.618 174.600 0.154 0.000 0.976 58 S CA -0.422 57.835 58.200 0.095 0.000 0.908 58 S CB 0.084 63.322 63.200 0.063 0.000 0.781 58 S HN 0.126 nan 8.310 nan 0.000 0.519 59 R N 1.449 121.960 120.500 0.019 0.000 2.357 59 R HA 0.625 4.965 4.340 -0.000 0.000 0.296 59 R C -1.305 175.015 176.300 0.033 0.000 1.052 59 R CA -0.690 55.344 56.100 -0.109 0.000 0.988 59 R CB 0.273 30.197 30.300 -0.627 0.000 1.025 59 R HN 0.392 nan 8.270 nan 0.000 0.469 60 F N 1.163 121.158 119.950 0.074 0.000 2.651 60 F HA 0.110 4.636 4.527 -0.000 0.000 0.327 60 F C -1.060 174.921 175.800 0.302 0.000 1.133 60 F CA -1.435 56.593 58.000 0.046 0.000 1.076 60 F CB 1.545 40.395 39.000 -0.250 0.000 1.315 60 F HN 0.417 nan 8.300 nan 0.000 0.499 61 D N 5.038 125.335 120.400 -0.171 0.000 2.619 61 D HA 0.367 5.007 4.640 -0.000 0.000 0.224 61 D C 1.219 177.214 176.300 -0.509 0.000 1.133 61 D CA 0.742 54.684 54.000 -0.097 0.000 1.017 61 D CB 0.923 41.779 40.800 0.093 0.000 1.077 61 D HN 0.700 nan 8.370 nan 0.000 0.503 62 A N 1.835 124.242 122.820 -0.689 0.000 1.917 62 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 62 A C 2.263 179.673 177.584 -0.290 0.000 1.182 62 A CA 2.172 53.757 52.037 -0.753 0.000 0.633 62 A CB -0.437 18.233 19.000 -0.550 0.000 0.819 62 A HN 0.539 nan 8.150 nan 0.000 0.448 63 S N -1.505 114.129 115.700 -0.110 0.000 2.406 63 S HA -0.127 4.343 4.470 -0.000 0.000 0.228 63 S C 1.797 176.353 174.600 -0.073 0.000 1.020 63 S CA 1.222 59.391 58.200 -0.051 0.000 0.965 63 S CB -0.719 62.487 63.200 0.009 0.000 0.798 63 S HN 0.538 nan 8.310 nan 0.000 0.488 64 F N 2.031 121.829 119.950 -0.253 0.000 2.171 64 F HA 0.107 4.634 4.527 0.000 0.000 0.300 64 F C 1.217 176.667 175.800 -0.583 0.000 1.090 64 F CA 0.872 58.641 58.000 -0.386 0.000 1.293 64 F CB -0.391 38.316 39.000 -0.488 0.000 1.013 64 F HN 0.185 nan 8.300 nan 0.000 0.486 65 F N 0.601 120.339 119.950 -0.353 0.000 2.773 65 F HA 0.294 4.820 4.527 -0.000 0.000 0.304 65 F C 1.836 177.492 175.800 -0.240 0.000 1.129 65 F CA 0.508 58.137 58.000 -0.619 0.000 1.378 65 F CB -0.571 38.038 39.000 -0.652 0.000 1.095 65 F HN 0.095 nan 8.300 nan 0.000 0.565 66 G N 0.856 109.624 108.800 -0.053 0.000 2.198 66 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 66 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 66 G C -0.101 174.838 174.900 0.066 0.000 1.025 66 G CA 0.212 45.330 45.100 0.030 0.000 0.769 66 G HN 0.185 nan 8.290 nan 0.000 0.507 67 V N 1.883 121.814 119.914 0.029 0.000 2.394 67 V HA 0.384 4.503 4.120 -0.000 0.000 0.282 67 V C 0.948 177.041 176.094 -0.002 0.000 1.031 67 V CA -1.231 61.089 62.300 0.033 0.000 0.881 67 V CB 1.519 33.389 31.823 0.077 0.000 0.982 67 V HN 0.481 nan 8.190 nan 0.000 0.451 68 H N 7.495 126.522 119.070 -0.072 0.000 2.790 68 H HA 0.146 4.701 4.556 -0.000 0.000 0.358 68 H C -1.900 173.386 175.328 -0.069 0.000 1.103 68 H CA -1.421 54.593 56.048 -0.056 0.000 1.426 68 H CB 1.981 31.696 29.762 -0.078 0.000 1.424 68 H HN 0.333 nan 8.280 nan 0.000 0.599 69 P HA -0.164 nan 4.420 nan 0.000 0.216 69 P C 1.352 178.822 177.300 0.284 0.000 1.150 69 P CA 1.708 64.854 63.100 0.078 0.000 0.843 69 P CB 0.294 32.073 31.700 0.130 0.000 0.787 70 K N -0.432 120.269 120.400 0.502 0.000 2.097 70 K HA -0.207 4.112 4.320 -0.000 0.000 0.206 70 K C 2.196 178.904 176.600 0.180 0.000 1.049 70 K CA 1.466 57.964 56.287 0.352 0.000 0.933 70 K CB -0.457 32.123 32.500 0.132 0.000 0.717 70 K HN 0.162 nan 8.250 nan 0.000 0.442 71 Q N 0.941 120.748 119.800 0.012 0.000 2.172 71 Q HA 0.000 4.340 4.340 -0.000 0.000 0.200 71 Q C 1.835 177.818 176.000 -0.029 0.000 0.964 71 Q CA 1.445 57.232 55.803 -0.028 0.000 0.855 71 Q CB -0.135 28.541 28.738 -0.104 0.000 0.918 71 Q HN 0.246 nan 8.270 nan 0.000 0.444 72 A N -0.003 122.720 122.820 -0.162 0.000 1.902 72 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 72 A C 1.873 179.294 177.584 -0.272 0.000 1.181 72 A CA 1.639 53.405 52.037 -0.453 0.000 0.623 72 A CB -0.975 17.297 19.000 -1.214 0.000 0.818 72 A HN 0.549 nan 8.150 nan 0.000 0.443 73 H N -0.000 119.133 119.070 0.106 0.000 2.491 73 H HA -0.050 4.506 4.556 -0.000 0.000 0.290 73 H C 1.482 176.890 175.328 0.133 0.000 1.050 73 H CA 1.771 57.968 56.048 0.248 0.000 1.309 73 H CB -0.132 29.815 29.762 0.309 0.000 1.392 73 H HN 0.643 nan 8.280 nan 0.000 0.554 74 T N -2.700 111.980 114.554 0.210 0.000 3.215 74 T HA 0.280 4.630 4.350 -0.000 0.000 0.271 74 T C 0.463 175.198 174.700 0.058 0.000 1.012 74 T CA -0.334 61.858 62.100 0.152 0.000 0.899 74 T CB -0.024 68.975 68.868 0.218 0.000 1.089 74 T HN -0.010 nan 8.240 nan 0.000 0.552 75 M N 2.426 122.012 119.600 -0.023 0.000 2.300 75 M HA 0.378 4.858 4.480 -0.000 0.000 0.348 75 M C -0.627 175.604 176.300 -0.115 0.000 1.151 75 M CA -0.687 54.544 55.300 -0.115 0.000 1.046 75 M CB 1.252 33.693 32.600 -0.266 0.000 1.647 75 M HN -0.011 nan 8.290 nan 0.000 0.451 76 D N 5.366 125.707 120.400 -0.098 0.000 2.493 76 D HA 0.034 4.674 4.640 -0.000 0.000 0.240 76 D C -1.917 174.302 176.300 -0.134 0.000 1.142 76 D CA -1.174 52.783 54.000 -0.072 0.000 0.872 76 D CB 1.280 42.049 40.800 -0.052 0.000 1.173 76 D HN 0.365 nan 8.370 nan 0.000 0.467 77 P HA -0.133 nan 4.420 nan 0.000 0.219 77 P C 1.150 178.366 177.300 -0.141 0.000 1.146 77 P CA 1.230 64.258 63.100 -0.120 0.000 0.808 77 P CB 0.219 31.896 31.700 -0.038 0.000 0.779 78 Q N -1.055 118.689 119.800 -0.093 0.000 2.096 78 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 78 Q C 2.024 177.947 176.000 -0.128 0.000 0.982 78 Q CA 1.110 56.865 55.803 -0.081 0.000 0.850 78 Q CB -0.764 27.951 28.738 -0.038 0.000 0.901 78 Q HN 0.200 nan 8.270 nan 0.000 0.422 79 L N 0.802 121.922 121.223 -0.172 0.000 2.072 79 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 79 L C 2.088 178.717 176.870 -0.402 0.000 1.079 79 L CA 1.596 56.303 54.840 -0.222 0.000 0.752 79 L CB -0.264 41.671 42.059 -0.206 0.000 0.906 79 L HN 0.003 nan 8.230 nan 0.000 0.436 80 R N -0.641 119.503 120.500 -0.592 0.000 2.083 80 R HA -0.143 4.196 4.340 -0.000 0.000 0.237 80 R C 2.257 178.217 176.300 -0.566 0.000 1.137 80 R CA 1.852 57.302 56.100 -1.083 0.000 0.951 80 R CB -0.620 28.975 30.300 -1.175 0.000 0.851 80 R HN 0.391 nan 8.270 nan 0.000 0.434 81 L N 0.266 121.302 121.223 -0.312 0.000 2.072 81 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 81 L C 2.403 179.202 176.870 -0.119 0.000 1.079 81 L CA 0.543 55.288 54.840 -0.159 0.000 0.752 81 L CB -0.387 41.616 42.059 -0.094 0.000 0.906 81 L HN 0.176 nan 8.230 nan 0.000 0.436 82 L N -0.031 121.120 121.223 -0.120 0.000 2.083 82 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 82 L C 2.318 179.180 176.870 -0.013 0.000 1.083 82 L CA 1.582 56.399 54.840 -0.037 0.000 0.752 82 L CB -0.410 41.637 42.059 -0.021 0.000 0.899 82 L HN 0.096 nan 8.230 nan 0.000 0.433 83 L N -0.766 120.357 121.223 -0.167 0.000 2.012 83 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 83 L C 2.511 179.314 176.870 -0.111 0.000 1.073 83 L CA 1.724 56.416 54.840 -0.246 0.000 0.748 83 L CB -0.482 41.044 42.059 -0.889 0.000 0.891 83 L HN 0.347 nan 8.230 nan 0.000 0.431 84 E N -0.816 119.239 120.200 -0.243 0.000 2.072 84 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 84 E C 2.255 179.053 176.600 0.331 0.000 0.982 84 E CA 1.112 57.488 56.400 -0.041 0.000 0.803 84 E CB -0.047 29.383 29.700 -0.450 0.000 0.755 84 E HN 0.258 nan 8.360 nan 0.000 0.453 85 V N 1.340 121.377 119.914 0.205 0.000 2.490 85 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 85 V C 2.249 178.503 176.094 0.268 0.000 1.061 85 V CA 1.996 64.435 62.300 0.232 0.000 1.064 85 V CB -0.613 31.287 31.823 0.128 0.000 0.670 85 V HN 0.331 nan 8.190 nan 0.000 0.461 86 T N -1.076 113.645 114.554 0.279 0.000 2.737 86 T HA -0.216 4.134 4.350 -0.000 0.000 0.265 86 T C 1.747 176.618 174.700 0.286 0.000 1.038 86 T CA 1.936 64.168 62.100 0.221 0.000 1.144 86 T CB -0.349 68.628 68.868 0.182 0.000 0.866 86 T HN 0.563 nan 8.240 nan 0.000 0.434 87 Y N 1.981 122.622 120.300 0.568 0.000 2.128 87 Y HA -0.172 4.378 4.550 -0.000 0.000 0.284 87 Y C 2.326 178.506 175.900 0.466 0.000 1.154 87 Y CA 1.615 60.147 58.100 0.720 0.000 1.149 87 Y CB -0.201 38.893 38.460 1.055 0.000 0.976 87 Y HN 0.300 nan 8.280 nan 0.000 0.505 88 E N -0.252 120.322 120.200 0.624 0.000 2.110 88 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 88 E C 2.314 179.053 176.600 0.231 0.000 0.988 88 E CA 0.961 57.613 56.400 0.419 0.000 0.804 88 E CB -0.312 29.647 29.700 0.431 0.000 0.745 88 E HN 0.576 nan 8.360 nan 0.000 0.458 89 A N 0.933 123.871 122.820 0.197 0.000 1.930 89 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 89 A C 2.145 179.778 177.584 0.081 0.000 1.175 89 A CA 0.981 53.098 52.037 0.133 0.000 0.627 89 A CB -0.475 18.590 19.000 0.109 0.000 0.815 89 A HN 0.126 nan 8.150 nan 0.000 0.443 90 I N 0.284 120.870 120.570 0.027 0.000 2.163 90 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 90 I C 2.503 178.594 176.117 -0.043 0.000 1.081 90 I CA 1.600 62.882 61.300 -0.029 0.000 1.353 90 I CB -0.442 37.514 38.000 -0.074 0.000 1.054 90 I HN 0.309 nan 8.210 nan 0.000 0.407 91 V N -1.368 118.497 119.914 -0.082 0.000 2.626 91 V HA -0.252 3.867 4.120 -0.000 0.000 0.252 91 V C 1.956 178.062 176.094 0.020 0.000 1.067 91 V CA 2.203 64.475 62.300 -0.046 0.000 1.081 91 V CB -0.919 30.880 31.823 -0.040 0.000 0.686 91 V HN 0.408 nan 8.190 nan 0.000 0.468 92 D N 1.933 122.375 120.400 0.070 0.000 2.182 92 D HA -0.060 4.580 4.640 -0.000 0.000 0.201 92 D C 2.006 178.348 176.300 0.070 0.000 0.986 92 D CA 1.600 55.668 54.000 0.113 0.000 0.847 92 D CB -0.566 40.340 40.800 0.177 0.000 0.942 92 D HN 0.541 nan 8.370 nan 0.000 0.467 93 G N -1.591 107.227 108.800 0.030 0.000 2.920 93 G HA2 0.251 4.210 3.960 -0.000 0.000 0.208 93 G HA3 0.251 4.210 3.960 -0.000 0.000 0.208 93 G C 1.143 175.992 174.900 -0.086 0.000 1.159 93 G CA 0.260 45.342 45.100 -0.031 0.000 0.784 93 G HN 0.555 nan 8.290 nan 0.000 0.535 94 G N -0.294 108.469 108.800 -0.062 0.000 2.160 94 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.251 94 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.251 94 G C 0.168 175.001 174.900 -0.110 0.000 1.008 94 G CA 0.286 45.330 45.100 -0.093 0.000 0.724 94 G HN 0.489 nan 8.290 nan 0.000 0.514 95 I N 0.496 121.017 120.570 -0.082 0.000 2.377 95 I HA 0.278 4.448 4.170 -0.000 0.000 0.293 95 I C 0.218 176.311 176.117 -0.040 0.000 0.987 95 I CA -1.095 60.164 61.300 -0.068 0.000 1.185 95 I CB 1.510 39.474 38.000 -0.059 0.000 1.341 95 I HN 0.086 nan 8.210 nan 0.000 0.455 96 N N 8.047 126.738 118.700 -0.015 0.000 2.430 96 N HA 0.175 4.915 4.740 -0.000 0.000 0.265 96 N C -1.942 173.595 175.510 0.044 0.000 1.100 96 N CA -1.768 51.294 53.050 0.019 0.000 0.961 96 N CB 1.605 40.117 38.487 0.041 0.000 1.075 96 N HN 0.243 nan 8.380 nan 0.000 0.478 97 P HA -0.093 nan 4.420 nan 0.000 0.218 97 P C 0.410 177.805 177.300 0.158 0.000 1.146 97 P CA 0.970 64.158 63.100 0.147 0.000 0.813 97 P CB 0.382 32.234 31.700 0.253 0.000 0.778 98 D N -0.961 119.506 120.400 0.112 0.000 2.218 98 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 98 D C 1.952 178.287 176.300 0.059 0.000 0.976 98 D CA 1.540 55.578 54.000 0.063 0.000 0.853 98 D CB -0.595 40.232 40.800 0.044 0.000 0.939 98 D HN 0.252 nan 8.370 nan 0.000 0.481 99 S N -0.394 115.345 115.700 0.064 0.000 2.515 99 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 99 S C 1.787 176.432 174.600 0.075 0.000 0.987 99 S CA 0.335 58.566 58.200 0.052 0.000 0.936 99 S CB -0.253 62.965 63.200 0.031 0.000 0.766 99 S HN 0.243 nan 8.310 nan 0.000 0.528 100 L N 0.157 121.461 121.223 0.134 0.000 2.640 100 L HA 0.319 4.658 4.340 -0.000 0.000 0.230 100 L C 0.873 177.899 176.870 0.260 0.000 1.123 100 L CA -0.326 54.632 54.840 0.196 0.000 0.900 100 L CB 0.027 42.264 42.059 0.296 0.000 1.146 100 L HN 0.079 nan 8.230 nan 0.000 0.484 101 R N 0.467 121.065 120.500 0.164 0.000 2.537 101 R HA 0.241 4.580 4.340 -0.000 0.000 0.280 101 R C 1.202 177.554 176.300 0.086 0.000 1.058 101 R CA 0.825 56.983 56.100 0.097 0.000 1.057 101 R CB 0.261 30.552 30.300 -0.014 0.000 0.973 101 R HN 0.262 nan 8.270 nan 0.000 0.438 102 G N 1.494 110.348 108.800 0.090 0.000 2.179 102 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 102 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 102 G C 0.364 175.325 174.900 0.101 0.000 0.977 102 G CA 0.557 45.699 45.100 0.071 0.000 0.641 102 G HN 0.743 nan 8.290 nan 0.000 0.533 103 T N -3.190 111.445 114.554 0.134 0.000 2.847 103 T HA 0.509 4.859 4.350 -0.000 0.000 0.279 103 T C 0.592 175.370 174.700 0.130 0.000 0.984 103 T CA 0.252 62.423 62.100 0.118 0.000 0.988 103 T CB 1.479 70.396 68.868 0.082 0.000 1.040 103 T HN 0.309 nan 8.240 nan 0.000 0.528 104 H N 0.136 119.217 119.070 0.019 0.000 2.842 104 H HA 0.293 4.849 4.556 0.000 0.000 0.312 104 H C 0.209 175.518 175.328 -0.032 0.000 1.137 104 H CA 0.037 56.091 56.048 0.010 0.000 1.176 104 H CB -1.085 28.683 29.762 0.011 0.000 1.361 104 H HN 0.611 nan 8.280 nan 0.000 0.557 105 T N 0.012 114.488 114.554 -0.129 0.000 2.916 105 T HA 0.283 4.632 4.350 -0.000 0.000 0.303 105 T C 0.897 175.402 174.700 -0.325 0.000 1.025 105 T CA 0.312 62.219 62.100 -0.322 0.000 1.142 105 T CB 0.900 69.285 68.868 -0.804 0.000 0.947 105 T HN 0.604 nan 8.240 nan 0.000 0.544 106 G N 1.206 109.896 108.800 -0.183 0.000 2.462 106 G HA2 0.593 4.553 3.960 -0.000 0.000 0.319 106 G HA3 0.593 4.553 3.960 -0.000 0.000 0.319 106 G C -1.155 173.650 174.900 -0.159 0.000 1.171 106 G CA -0.522 44.439 45.100 -0.232 0.000 0.920 106 G HN 0.657 nan 8.290 nan 0.000 0.499 107 V N 1.011 120.705 119.914 -0.366 0.000 2.577 107 V HA 0.507 4.627 4.120 -0.000 0.000 0.303 107 V C -1.089 174.858 176.094 -0.245 0.000 1.042 107 V CA -0.681 61.564 62.300 -0.091 0.000 0.872 107 V CB 1.737 33.581 31.823 0.036 0.000 0.998 107 V HN 0.734 nan 8.190 nan 0.000 0.423 108 W N 3.889 125.217 121.300 0.046 0.000 2.781 108 W HA 0.684 5.344 4.660 -0.000 0.000 0.333 108 W C -1.216 175.331 176.519 0.047 0.000 1.047 108 W CA -0.639 56.733 57.345 0.044 0.000 1.236 108 W CB 2.372 31.854 29.460 0.038 0.000 1.394 108 W HN 0.281 nan 8.180 nan 0.000 0.466 109 V N 2.256 122.293 119.914 0.205 0.000 2.448 109 V HA 0.531 4.650 4.120 -0.000 0.000 0.295 109 V C 0.494 176.664 176.094 0.128 0.000 1.025 109 V CA -0.700 61.687 62.300 0.144 0.000 0.859 109 V CB 1.591 33.470 31.823 0.095 0.000 0.988 109 V HN 0.633 nan 8.190 nan 0.000 0.431 110 G N 2.854 111.720 108.800 0.109 0.000 2.338 110 G HA2 0.536 4.495 3.960 -0.000 0.000 0.295 110 G HA3 0.536 4.495 3.960 -0.000 0.000 0.295 110 G C -0.876 174.065 174.900 0.068 0.000 1.132 110 G CA -0.224 44.928 45.100 0.087 0.000 0.922 110 G HN 0.794 nan 8.290 nan 0.000 0.427 111 V N 1.806 121.758 119.914 0.063 0.000 2.969 111 V HA 0.676 4.796 4.120 -0.000 0.000 0.304 111 V C -0.008 176.121 176.094 0.059 0.000 1.192 111 V CA -0.437 61.896 62.300 0.054 0.000 0.962 111 V CB 2.316 34.166 31.823 0.046 0.000 1.045 111 V HN 0.647 nan 8.190 nan 0.000 0.428 112 S N 3.257 118.997 115.700 0.066 0.000 2.687 112 S HA 0.479 4.949 4.470 -0.000 0.000 0.247 112 S C 0.328 174.979 174.600 0.084 0.000 1.050 112 S CA 0.381 58.630 58.200 0.083 0.000 1.063 112 S CB 1.124 64.394 63.200 0.117 0.000 1.039 112 S HN 1.317 nan 8.310 nan 0.000 0.580 113 G N 0.294 109.137 108.800 0.071 0.000 2.524 113 G HA2 0.553 4.513 3.960 -0.000 0.000 0.310 113 G HA3 0.553 4.513 3.960 -0.000 0.000 0.310 113 G C -0.676 174.254 174.900 0.051 0.000 1.279 113 G CA -0.319 44.820 45.100 0.064 0.000 0.974 113 G HN 0.051 nan 8.290 nan 0.000 0.484 114 S N 0.650 116.380 115.700 0.049 0.000 2.526 114 S HA 0.166 4.636 4.470 -0.000 0.000 0.220 114 S C 1.046 175.692 174.600 0.076 0.000 1.159 114 S CA -0.439 57.793 58.200 0.052 0.000 1.196 114 S CB 0.421 63.647 63.200 0.043 0.000 1.225 114 S HN 0.728 nan 8.310 nan 0.000 0.432 115 E N 0.676 120.927 120.200 0.085 0.000 2.110 115 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 115 E C 1.572 178.349 176.600 0.295 0.000 0.988 115 E CA 1.392 57.877 56.400 0.141 0.000 0.804 115 E CB -0.047 29.665 29.700 0.020 0.000 0.745 115 E HN 0.362 nan 8.360 nan 0.000 0.458 116 T N 0.275 114.949 114.554 0.200 0.000 2.788 116 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 116 T C 2.015 176.781 174.700 0.109 0.000 1.044 116 T CA 1.373 63.569 62.100 0.160 0.000 1.139 116 T CB -0.263 68.659 68.868 0.092 0.000 0.867 116 T HN 0.105 nan 8.240 nan 0.000 0.454 117 S N 0.986 116.738 115.700 0.087 0.000 2.383 117 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 117 S C 1.991 176.632 174.600 0.068 0.000 1.030 117 S CA 1.498 59.731 58.200 0.056 0.000 1.002 117 S CB -0.281 62.945 63.200 0.043 0.000 0.829 117 S HN 0.644 nan 8.310 nan 0.000 0.467 118 E N 1.127 121.403 120.200 0.126 0.000 2.047 118 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 118 E C 2.506 179.166 176.600 0.100 0.000 0.987 118 E CA 1.001 57.487 56.400 0.143 0.000 0.799 118 E CB -0.427 29.416 29.700 0.239 0.000 0.752 118 E HN 0.620 nan 8.360 nan 0.000 0.449 119 A N 1.794 124.668 122.820 0.089 0.000 1.902 119 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 119 A C 2.240 179.760 177.584 -0.106 0.000 1.181 119 A CA 1.129 53.056 52.037 -0.183 0.000 0.623 119 A CB -0.650 18.142 19.000 -0.346 0.000 0.818 119 A HN 0.141 nan 8.150 nan 0.000 0.443 120 L N 0.295 121.494 121.223 -0.039 0.000 2.395 120 L HA -0.048 4.292 4.340 -0.000 0.000 0.218 120 L C 2.015 178.859 176.870 -0.043 0.000 1.130 120 L CA 1.183 56.000 54.840 -0.038 0.000 0.826 120 L CB -0.161 41.888 42.059 -0.016 0.000 0.941 120 L HN 0.558 nan 8.230 nan 0.000 0.451 121 S N -0.983 114.699 115.700 -0.029 0.000 2.568 121 S HA 0.041 4.511 4.470 -0.000 0.000 0.232 121 S C 1.723 176.306 174.600 -0.028 0.000 0.975 121 S CA -0.668 57.514 58.200 -0.030 0.000 0.949 121 S CB -0.061 63.129 63.200 -0.016 0.000 0.829 121 S HN 0.451 nan 8.310 nan 0.000 0.479 122 R N 1.022 121.500 120.500 -0.036 0.000 2.148 122 R HA 0.051 4.391 4.340 -0.000 0.000 0.227 122 R C -0.231 176.048 176.300 -0.035 0.000 1.103 122 R CA 1.250 57.329 56.100 -0.035 0.000 0.983 122 R CB -0.348 29.919 30.300 -0.055 0.000 0.874 122 R HN 0.293 nan 8.270 nan 0.000 0.451 123 D N 1.140 121.516 120.400 -0.041 0.000 2.464 123 D HA 0.212 4.852 4.640 -0.000 0.000 0.243 123 D C -1.824 174.453 176.300 -0.037 0.000 1.104 123 D CA -2.694 51.283 54.000 -0.037 0.000 0.883 123 D CB 1.919 42.695 40.800 -0.040 0.000 1.050 123 D HN -0.077 nan 8.370 nan 0.000 0.524 124 P HA -0.122 nan 4.420 nan 0.000 0.218 124 P C 0.959 178.240 177.300 -0.033 0.000 1.148 124 P CA 0.952 64.033 63.100 -0.031 0.000 0.822 124 P CB 0.699 32.385 31.700 -0.024 0.000 0.784 125 E N -0.712 119.471 120.200 -0.029 0.000 2.107 125 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 125 E C 1.796 178.378 176.600 -0.031 0.000 0.982 125 E CA 1.798 58.183 56.400 -0.026 0.000 0.809 125 E CB -0.247 29.441 29.700 -0.021 0.000 0.756 125 E HN 0.385 nan 8.360 nan 0.000 0.459 126 T N -1.155 113.377 114.554 -0.037 0.000 3.001 126 T HA 0.115 4.465 4.350 -0.000 0.000 0.251 126 T C 0.810 175.473 174.700 -0.062 0.000 1.040 126 T CA -0.500 61.575 62.100 -0.041 0.000 0.985 126 T CB -0.333 68.514 68.868 -0.034 0.000 1.011 126 T HN 0.009 nan 8.240 nan 0.000 0.509 127 L N 2.619 123.801 121.223 -0.070 0.000 2.499 127 L HA 0.615 4.955 4.340 -0.000 0.000 0.281 127 L C -0.020 176.760 176.870 -0.150 0.000 1.234 127 L CA -1.116 53.665 54.840 -0.099 0.000 0.839 127 L CB -0.078 41.931 42.059 -0.084 0.000 1.104 127 L HN 0.139 nan 8.230 nan 0.000 0.500 128 V N 0.079 119.847 119.914 -0.244 0.000 2.581 128 V HA 0.738 4.858 4.120 -0.000 0.000 0.303 128 V C 1.158 176.985 176.094 -0.444 0.000 1.041 128 V CA -0.019 62.018 62.300 -0.438 0.000 0.907 128 V CB 0.787 32.116 31.823 -0.824 0.000 0.994 128 V HN 1.007 nan 8.190 nan 0.000 0.442 129 G N 2.451 111.031 108.800 -0.367 0.000 2.442 129 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 129 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 129 G C 0.996 175.801 174.900 -0.158 0.000 1.141 129 G CA 1.483 46.467 45.100 -0.194 0.000 0.763 129 G HN 1.187 nan 8.290 nan 0.000 0.554 130 Y N 1.624 121.909 120.300 -0.026 0.000 2.639 130 Y HA 0.065 4.615 4.550 -0.000 0.000 0.297 130 Y C 2.567 178.450 175.900 -0.028 0.000 1.151 130 Y CA 0.668 58.748 58.100 -0.033 0.000 1.335 130 Y CB -0.780 37.657 38.460 -0.038 0.000 0.994 130 Y HN 0.227 nan 8.280 nan 0.000 0.548 131 S N -0.329 115.321 115.700 -0.083 0.000 2.481 131 S HA -0.210 4.260 4.470 -0.000 0.000 0.231 131 S C 1.779 176.373 174.600 -0.009 0.000 0.996 131 S CA 0.950 59.139 58.200 -0.019 0.000 0.942 131 S CB -0.398 62.764 63.200 -0.065 0.000 0.768 131 S HN 0.570 nan 8.310 nan 0.000 0.520 132 M N 1.995 121.583 119.600 -0.020 0.000 2.200 132 M HA 0.151 4.631 4.480 -0.000 0.000 0.265 132 M C 1.807 178.101 176.300 -0.009 0.000 1.066 132 M CA 1.262 56.553 55.300 -0.015 0.000 1.127 132 M CB -0.522 32.066 32.600 -0.021 0.000 1.379 132 M HN 0.152 nan 8.290 nan 0.000 0.420 133 V N 0.031 119.946 119.914 0.003 0.000 2.626 133 V HA -0.071 4.049 4.120 -0.000 0.000 0.252 133 V C 2.263 178.340 176.094 -0.028 0.000 1.067 133 V CA 1.780 64.071 62.300 -0.016 0.000 1.081 133 V CB -1.421 30.395 31.823 -0.010 0.000 0.686 133 V HN 0.708 nan 8.190 nan 0.000 0.468 134 G N -2.528 106.266 108.800 -0.009 0.000 2.986 134 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.213 134 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.213 134 G C 1.139 176.014 174.900 -0.042 0.000 1.156 134 G CA 0.958 46.035 45.100 -0.038 0.000 0.763 134 G HN 0.555 nan 8.290 nan 0.000 0.547 135 C N -0.756 118.531 119.300 -0.021 0.000 3.637 135 C HA 0.276 4.735 4.460 -0.000 0.000 0.439 135 C C 0.797 175.785 174.990 -0.004 0.000 1.443 135 C CA -0.775 58.236 59.018 -0.012 0.000 2.037 135 C CB -0.105 27.637 27.740 0.004 0.000 2.957 135 C HN 0.488 nan 8.230 nan 0.000 0.669 136 Q N 2.124 121.920 119.800 -0.006 0.000 2.315 136 Q HA 0.092 4.432 4.340 -0.000 0.000 0.289 136 Q C 1.202 177.202 176.000 0.000 0.000 1.044 136 Q CA 0.716 56.518 55.803 -0.001 0.000 0.920 136 Q CB 0.368 29.102 28.738 -0.006 0.000 1.214 136 Q HN 0.406 nan 8.270 nan 0.000 0.392 137 R N 3.038 123.543 120.500 0.009 0.000 2.119 137 R HA -0.271 4.069 4.340 -0.000 0.000 0.246 137 R C 1.716 178.023 176.300 0.011 0.000 1.146 137 R CA 1.858 57.966 56.100 0.013 0.000 0.962 137 R CB -0.617 29.696 30.300 0.022 0.000 0.863 137 R HN 0.880 nan 8.270 nan 0.000 0.442 138 A N 0.305 123.128 122.820 0.006 0.000 1.972 138 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 138 A C 2.035 179.620 177.584 0.002 0.000 1.169 138 A CA 1.309 53.348 52.037 0.003 0.000 0.635 138 A CB -0.297 18.702 19.000 -0.001 0.000 0.810 138 A HN 0.223 nan 8.150 nan 0.000 0.446 139 M N -0.892 118.706 119.600 -0.004 0.000 2.279 139 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 139 M C 1.864 178.166 176.300 0.002 0.000 1.062 139 M CA 1.007 56.302 55.300 -0.008 0.000 1.099 139 M CB -1.087 31.497 32.600 -0.027 0.000 1.394 139 M HN 0.356 nan 8.290 nan 0.000 0.426 140 M N -0.299 119.303 119.600 0.003 0.000 2.202 140 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 140 M C 2.184 178.507 176.300 0.038 0.000 1.063 140 M CA 1.709 57.015 55.300 0.009 0.000 1.097 140 M CB -1.493 31.115 32.600 0.014 0.000 1.382 140 M HN 0.320 nan 8.290 nan 0.000 0.413 141 A N -0.157 122.686 122.820 0.038 0.000 1.920 141 A HA 0.018 4.338 4.320 -0.000 0.000 0.209 141 A C 1.949 179.576 177.584 0.071 0.000 1.229 141 A CA 0.580 52.647 52.037 0.050 0.000 0.671 141 A CB -0.362 18.639 19.000 0.002 0.000 0.886 141 A HN 0.357 nan 8.150 nan 0.000 0.461 142 N N 0.088 118.817 118.700 0.048 0.000 2.166 142 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 142 N C 1.746 177.334 175.510 0.130 0.000 1.019 142 N CA 1.362 54.454 53.050 0.069 0.000 0.856 142 N CB -0.369 38.135 38.487 0.029 0.000 0.993 142 N HN 0.392 nan 8.380 nan 0.000 0.426 143 R N 1.060 121.624 120.500 0.107 0.000 2.115 143 R HA 0.109 4.449 4.340 -0.000 0.000 0.230 143 R C 1.966 178.427 176.300 0.268 0.000 1.111 143 R CA 0.761 56.952 56.100 0.152 0.000 0.976 143 R CB -0.439 29.892 30.300 0.052 0.000 0.870 143 R HN 0.235 nan 8.270 nan 0.000 0.445 144 L N -0.813 120.566 121.223 0.260 0.000 2.044 144 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 144 L C 2.183 179.296 176.870 0.405 0.000 1.075 144 L CA 1.526 56.622 54.840 0.426 0.000 0.747 144 L CB -0.663 41.631 42.059 0.393 0.000 0.903 144 L HN 0.161 nan 8.230 nan 0.000 0.435 145 S N 0.061 115.937 115.700 0.292 0.000 2.383 145 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 145 S C 1.765 176.450 174.600 0.142 0.000 1.030 145 S CA 1.424 59.764 58.200 0.233 0.000 1.002 145 S CB -0.414 62.899 63.200 0.189 0.000 0.829 145 S HN 0.333 nan 8.310 nan 0.000 0.467 146 F N 1.584 121.571 119.950 0.061 0.000 2.051 146 F HA -0.096 4.431 4.527 -0.000 0.000 0.296 146 F C 1.924 177.709 175.800 -0.024 0.000 1.122 146 F CA 1.359 59.373 58.000 0.023 0.000 1.201 146 F CB -0.635 38.392 39.000 0.044 0.000 0.978 146 F HN 0.223 nan 8.300 nan 0.000 0.472 147 F N -0.044 119.837 119.950 -0.116 0.000 2.102 147 F HA -0.168 4.359 4.527 0.000 0.000 0.298 147 F C 1.710 177.167 175.800 -0.572 0.000 1.105 147 F CA 1.629 59.405 58.000 -0.373 0.000 1.239 147 F CB -0.883 37.954 39.000 -0.270 0.000 0.991 147 F HN -0.044 nan 8.300 nan 0.000 0.474 148 F N 0.571 120.221 119.950 -0.501 0.000 2.811 148 F HA 0.090 4.617 4.527 -0.000 0.000 0.301 148 F C 0.875 176.179 175.800 -0.826 0.000 1.151 148 F CA 0.820 58.304 58.000 -0.859 0.000 1.412 148 F CB -0.826 37.334 39.000 -1.399 0.000 1.113 148 F HN -0.037 nan 8.300 nan 0.000 0.579 149 D N -0.039 120.091 120.400 -0.449 0.000 2.699 149 D HA -0.243 4.397 4.640 -0.000 0.000 0.239 149 D C -0.860 175.457 176.300 0.029 0.000 1.136 149 D CA 0.341 54.203 54.000 -0.229 0.000 0.668 149 D CB -1.436 39.229 40.800 -0.225 0.000 1.060 149 D HN -0.057 nan 8.370 nan 0.000 0.429 150 F N 0.094 120.068 119.950 0.040 0.000 2.404 150 F HA 0.439 4.965 4.527 -0.000 0.000 0.345 150 F C 1.893 177.666 175.800 -0.045 0.000 1.110 150 F CA -0.730 57.276 58.000 0.010 0.000 1.130 150 F CB 1.155 40.171 39.000 0.026 0.000 1.129 150 F HN -0.062 nan 8.300 nan 0.000 0.500 151 R N 1.251 121.806 120.500 0.093 0.000 2.437 151 R HA 0.239 4.578 4.340 -0.000 0.000 0.257 151 R C 0.893 176.969 176.300 -0.374 0.000 0.927 151 R CA -0.057 56.018 56.100 -0.043 0.000 1.078 151 R CB 0.502 30.834 30.300 0.054 0.000 1.161 151 R HN 0.765 nan 8.270 nan 0.000 0.529 152 G N 2.502 110.979 108.800 -0.540 0.000 2.553 152 G HA2 0.266 4.226 3.960 -0.000 0.000 0.278 152 G HA3 0.266 4.226 3.960 -0.000 0.000 0.278 152 G C -2.368 172.245 174.900 -0.479 0.000 1.349 152 G CA -0.909 43.638 45.100 -0.921 0.000 1.037 152 G HN -0.111 nan 8.290 nan 0.000 0.508 153 P HA 0.177 nan 4.420 nan 0.000 0.266 153 P C -0.470 176.489 177.300 -0.568 0.000 1.193 153 P CA 0.235 63.081 63.100 -0.424 0.000 0.770 153 P CB 1.034 32.457 31.700 -0.461 0.000 0.836 154 S N 2.366 117.824 115.700 -0.404 0.000 2.746 154 S HA 0.610 5.080 4.470 -0.000 0.000 0.273 154 S C -1.035 173.412 174.600 -0.254 0.000 1.172 154 S CA -0.563 57.452 58.200 -0.307 0.000 1.116 154 S CB -0.591 62.538 63.200 -0.120 0.000 1.057 154 S HN 0.224 nan 8.310 nan 0.000 0.483 155 I N 3.249 123.623 120.570 -0.326 0.000 2.569 155 I HA 0.611 4.781 4.170 -0.000 0.000 0.290 155 I C -0.178 175.912 176.117 -0.045 0.000 1.088 155 I CA -0.945 60.250 61.300 -0.176 0.000 1.047 155 I CB 2.149 40.027 38.000 -0.204 0.000 1.237 155 I HN 0.639 nan 8.210 nan 0.000 0.421 156 A N 6.950 129.776 122.820 0.010 0.000 2.276 156 A HA 0.888 5.207 4.320 -0.000 0.000 0.316 156 A C -0.809 176.818 177.584 0.072 0.000 1.229 156 A CA -0.388 51.678 52.037 0.049 0.000 0.851 156 A CB 0.739 19.759 19.000 0.034 0.000 1.165 156 A HN 0.617 nan 8.150 nan 0.000 0.513 157 L N -0.385 120.896 121.223 0.098 0.000 2.354 157 L HA 0.930 5.270 4.340 -0.000 0.000 0.264 157 L C -0.900 176.015 176.870 0.073 0.000 1.008 157 L CA -0.706 54.191 54.840 0.095 0.000 0.819 157 L CB 2.087 44.228 42.059 0.136 0.000 1.339 157 L HN 0.390 nan 8.230 nan 0.000 0.420 158 D N 0.467 120.900 120.400 0.055 0.000 2.542 158 D HA 0.456 5.096 4.640 -0.000 0.000 0.252 158 D C -0.338 175.971 176.300 0.016 0.000 1.222 158 D CA 0.041 54.065 54.000 0.039 0.000 0.895 158 D CB 1.920 42.741 40.800 0.035 0.000 1.207 158 D HN 0.853 nan 8.370 nan 0.000 0.558 159 T N 1.119 115.677 114.554 0.006 0.000 3.393 159 T HA 0.631 4.981 4.350 -0.000 0.000 0.298 159 T C 0.887 175.549 174.700 -0.063 0.000 1.004 159 T CA 0.455 62.538 62.100 -0.029 0.000 0.956 159 T CB 0.139 69.004 68.868 -0.006 0.000 1.182 159 T HN 0.676 nan 8.240 nan 0.000 0.497 160 A N 0.916 123.707 122.820 -0.049 0.000 5.351 160 A HA -0.293 4.027 4.320 -0.000 0.000 0.289 160 A C 1.921 179.540 177.584 0.059 0.000 2.064 160 A CA 0.966 52.988 52.037 -0.026 0.000 0.716 160 A CB -2.104 16.709 19.000 -0.312 0.000 1.202 160 A HN 1.039 nan 8.150 nan 0.000 0.357 161 C N 0.577 119.947 119.300 0.117 0.000 2.422 161 C HA 0.138 4.598 4.460 -0.000 0.000 0.279 161 C C 2.921 177.990 174.990 0.132 0.000 1.305 161 C CA 1.681 60.809 59.018 0.182 0.000 1.757 161 C CB -1.845 26.122 27.740 0.377 0.000 1.962 161 C HN 1.489 nan 8.230 nan 0.000 0.499 162 S N 1.055 116.790 115.700 0.058 0.000 2.650 162 S HA 0.002 4.472 4.470 -0.000 0.000 0.219 162 S C 1.374 175.993 174.600 0.032 0.000 0.960 162 S CA 0.748 58.962 58.200 0.023 0.000 0.925 162 S CB -0.505 62.698 63.200 0.004 0.000 0.775 162 S HN 0.585 nan 8.310 nan 0.000 0.525 163 S N 3.012 118.739 115.700 0.045 0.000 2.365 163 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 163 S C 2.342 176.975 174.600 0.056 0.000 1.039 163 S CA 1.866 60.097 58.200 0.050 0.000 1.033 163 S CB -0.711 62.523 63.200 0.057 0.000 0.887 163 S HN 0.926 nan 8.310 nan 0.000 0.447 164 S N 1.029 116.761 115.700 0.053 0.000 2.414 164 S HA 0.092 4.562 4.470 -0.000 0.000 0.227 164 S C 1.750 176.369 174.600 0.033 0.000 1.022 164 S CA 0.478 58.709 58.200 0.052 0.000 0.958 164 S CB -0.395 62.835 63.200 0.050 0.000 0.797 164 S HN 0.263 nan 8.310 nan 0.000 0.493 165 L N 0.542 121.775 121.223 0.016 0.000 2.179 165 L HA 0.321 4.661 4.340 -0.000 0.000 0.208 165 L C 2.475 179.336 176.870 -0.016 0.000 1.096 165 L CA 1.394 56.228 54.840 -0.010 0.000 0.779 165 L CB -0.727 41.315 42.059 -0.029 0.000 0.922 165 L HN 0.381 nan 8.230 nan 0.000 0.443 166 M N -0.834 118.767 119.600 0.002 0.000 2.175 166 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 166 M C 2.182 178.469 176.300 -0.020 0.000 1.063 166 M CA 1.917 57.217 55.300 -0.001 0.000 1.119 166 M CB -0.481 32.133 32.600 0.024 0.000 1.377 166 M HN 0.209 nan 8.290 nan 0.000 0.415 167 A N -0.142 122.691 122.820 0.022 0.000 1.902 167 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 167 A C 2.126 179.652 177.584 -0.097 0.000 1.181 167 A CA 1.802 53.862 52.037 0.038 0.000 0.623 167 A CB -1.181 17.914 19.000 0.159 0.000 0.818 167 A HN 0.551 nan 8.150 nan 0.000 0.443 168 L N -0.442 120.752 121.223 -0.049 0.000 2.042 168 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 168 L C 2.552 179.358 176.870 -0.107 0.000 1.076 168 L CA 2.417 57.218 54.840 -0.065 0.000 0.749 168 L CB -0.594 41.444 42.059 -0.036 0.000 0.893 168 L HN 0.522 nan 8.230 nan 0.000 0.432 169 Q N -0.163 119.576 119.800 -0.102 0.000 2.061 169 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 169 Q C 2.034 177.959 176.000 -0.125 0.000 0.984 169 Q CA 2.278 58.037 55.803 -0.073 0.000 0.846 169 Q CB -0.311 28.393 28.738 -0.056 0.000 0.902 169 Q HN 0.716 nan 8.270 nan 0.000 0.421 170 N N -0.409 118.106 118.700 -0.310 0.000 2.166 170 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 170 N C 1.773 176.708 175.510 -0.958 0.000 1.019 170 N CA 0.810 53.533 53.050 -0.543 0.000 0.856 170 N CB -0.015 38.062 38.487 -0.684 0.000 0.993 170 N HN 0.253 nan 8.380 nan 0.000 0.426 171 A N 0.917 123.089 122.820 -1.080 0.000 1.873 171 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 171 A C 2.007 179.367 177.584 -0.373 0.000 1.186 171 A CA 0.996 52.442 52.037 -0.986 0.000 0.616 171 A CB -1.001 17.724 19.000 -0.457 0.000 0.823 171 A HN 0.495 nan 8.150 nan 0.000 0.442 172 Y N 1.626 121.751 120.300 -0.291 0.000 2.165 172 Y HA -0.328 4.222 4.550 0.000 0.000 0.286 172 Y C 2.537 178.380 175.900 -0.094 0.000 1.155 172 Y CA 2.453 60.465 58.100 -0.147 0.000 1.164 172 Y CB -0.487 37.895 38.460 -0.130 0.000 0.978 172 Y HN 0.569 nan 8.280 nan 0.000 0.513 173 Q N 0.157 119.835 119.800 -0.202 0.000 2.119 173 Q HA -0.095 4.245 4.340 -0.000 0.000 0.201 173 Q C 2.439 178.342 176.000 -0.162 0.000 0.972 173 Q CA 1.342 57.020 55.803 -0.209 0.000 0.847 173 Q CB -0.589 28.121 28.738 -0.047 0.000 0.903 173 Q HN 0.509 nan 8.270 nan 0.000 0.433 174 A N 1.248 123.971 122.820 -0.161 0.000 1.930 174 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 174 A C 2.102 179.671 177.584 -0.025 0.000 1.175 174 A CA 1.001 53.027 52.037 -0.017 0.000 0.627 174 A CB -0.449 18.631 19.000 0.133 0.000 0.815 174 A HN 0.340 nan 8.150 nan 0.000 0.443 175 I N -1.798 118.720 120.570 -0.087 0.000 2.277 175 I HA -0.162 4.008 4.170 -0.000 0.000 0.243 175 I C 2.459 178.510 176.117 -0.110 0.000 1.094 175 I CA 1.453 62.713 61.300 -0.067 0.000 1.393 175 I CB -0.465 37.504 38.000 -0.050 0.000 1.078 175 I HN 0.474 nan 8.210 nan 0.000 0.417 176 H N 1.355 120.221 119.070 -0.341 0.000 2.353 176 H HA -0.186 4.370 4.556 0.000 0.000 0.298 176 H C 2.290 177.503 175.328 -0.192 0.000 1.103 176 H CA 1.978 57.813 56.048 -0.356 0.000 1.293 176 H CB -0.039 29.306 29.762 -0.695 0.000 1.372 176 H HN 0.340 nan 8.280 nan 0.000 0.501 177 S N -1.392 114.186 115.700 -0.203 0.000 2.593 177 S HA 0.167 4.637 4.470 -0.000 0.000 0.217 177 S C 1.779 176.305 174.600 -0.124 0.000 0.966 177 S CA 0.448 58.543 58.200 -0.175 0.000 0.914 177 S CB -0.169 62.989 63.200 -0.071 0.000 0.776 177 S HN 0.811 nan 8.310 nan 0.000 0.523 178 G N 1.290 110.026 108.800 -0.107 0.000 2.179 178 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.260 178 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.260 178 G C 0.664 175.551 174.900 -0.023 0.000 0.977 178 G CA 0.528 45.589 45.100 -0.065 0.000 0.641 178 G HN 0.593 nan 8.290 nan 0.000 0.533 179 Q N -0.729 119.077 119.800 0.008 0.000 2.119 179 Q HA 0.080 4.420 4.340 -0.000 0.000 0.201 179 Q C 0.949 177.036 176.000 0.145 0.000 0.972 179 Q CA 1.596 57.437 55.803 0.064 0.000 0.847 179 Q CB -0.004 28.802 28.738 0.113 0.000 0.903 179 Q HN 0.661 nan 8.270 nan 0.000 0.433 180 C N 0.499 119.881 119.300 0.138 0.000 2.561 180 C HA 0.416 4.876 4.460 -0.000 0.000 0.319 180 C C -1.659 173.370 174.990 0.064 0.000 1.198 180 C CA -1.343 57.767 59.018 0.153 0.000 1.665 180 C CB 1.924 29.772 27.740 0.180 0.000 2.258 180 C HN 0.388 nan 8.230 nan 0.000 0.493 181 P HA 0.156 nan 4.420 nan 0.000 0.234 181 P C -0.014 177.280 177.300 -0.010 0.000 1.175 181 P CA 0.876 63.981 63.100 0.008 0.000 0.801 181 P CB 0.585 32.288 31.700 0.006 0.000 0.891 182 A N -0.914 121.891 122.820 -0.025 0.000 2.599 182 A HA 0.765 5.085 4.320 -0.000 0.000 0.290 182 A C -1.772 175.776 177.584 -0.061 0.000 1.101 182 A CA -0.158 51.845 52.037 -0.057 0.000 0.674 182 A CB 1.299 20.234 19.000 -0.109 0.000 1.277 182 A HN 0.136 nan 8.150 nan 0.000 0.419 183 A N 0.139 122.929 122.820 -0.051 0.000 2.589 183 A HA 0.662 4.982 4.320 -0.000 0.000 0.296 183 A C -1.624 175.966 177.584 0.011 0.000 1.062 183 A CA -0.367 51.687 52.037 0.027 0.000 0.686 183 A CB 0.907 20.042 19.000 0.225 0.000 1.282 183 A HN 0.839 nan 8.150 nan 0.000 0.404 184 I N 1.903 122.499 120.570 0.043 0.000 2.359 184 I HA 0.474 4.644 4.170 -0.000 0.000 0.294 184 I C -0.470 175.753 176.117 0.178 0.000 0.987 184 I CA -0.564 60.785 61.300 0.081 0.000 1.225 184 I CB 1.304 39.359 38.000 0.093 0.000 1.366 184 I HN 0.336 nan 8.210 nan 0.000 0.466 185 V N 5.656 125.655 119.914 0.143 0.000 2.448 185 V HA 0.786 4.906 4.120 -0.000 0.000 0.295 185 V C 0.423 176.589 176.094 0.120 0.000 1.025 185 V CA -0.488 61.907 62.300 0.158 0.000 0.859 185 V CB 1.730 33.617 31.823 0.106 0.000 0.988 185 V HN 0.920 nan 8.190 nan 0.000 0.431 186 G N 2.313 111.189 108.800 0.127 0.000 2.533 186 G HA2 0.762 4.722 3.960 -0.000 0.000 0.304 186 G HA3 0.762 4.722 3.960 -0.000 0.000 0.304 186 G C -0.562 174.385 174.900 0.079 0.000 1.263 186 G CA -0.618 44.538 45.100 0.093 0.000 0.964 186 G HN 1.058 nan 8.290 nan 0.000 0.479 187 G N -0.140 108.693 108.800 0.054 0.000 2.732 187 G HA2 0.648 4.608 3.960 -0.000 0.000 0.295 187 G HA3 0.648 4.608 3.960 -0.000 0.000 0.295 187 G C -0.745 174.171 174.900 0.027 0.000 1.456 187 G CA -0.592 44.534 45.100 0.043 0.000 1.050 187 G HN 1.114 nan 8.290 nan 0.000 0.525 188 I N -0.562 120.024 120.570 0.027 0.000 2.686 188 I HA 0.808 4.977 4.170 -0.000 0.000 0.295 188 I C -1.499 174.628 176.117 0.016 0.000 1.114 188 I CA -1.279 60.029 61.300 0.014 0.000 1.038 188 I CB 2.937 40.942 38.000 0.010 0.000 1.238 188 I HN 0.363 nan 8.210 nan 0.000 0.420 189 N N 3.407 122.112 118.700 0.008 0.000 2.521 189 N HA 0.693 5.433 4.740 -0.000 0.000 0.269 189 N C -1.579 173.939 175.510 0.013 0.000 1.079 189 N CA -0.442 52.617 53.050 0.015 0.000 0.980 189 N CB 2.526 41.015 38.487 0.004 0.000 1.667 189 N HN 0.781 nan 8.380 nan 0.000 0.498 190 V N 0.107 120.039 119.914 0.030 0.000 3.078 190 V HA 0.677 4.797 4.120 -0.000 0.000 0.311 190 V C -0.817 175.316 176.094 0.065 0.000 1.138 190 V CA -0.929 61.392 62.300 0.034 0.000 1.007 190 V CB 2.083 33.927 31.823 0.035 0.000 1.045 190 V HN 0.508 nan 8.190 nan 0.000 0.432 191 L N 3.263 124.526 121.223 0.067 0.000 2.371 191 L HA 0.469 4.809 4.340 -0.000 0.000 0.262 191 L C 0.451 177.452 176.870 0.220 0.000 1.054 191 L CA -0.166 54.761 54.840 0.145 0.000 0.924 191 L CB 0.963 43.065 42.059 0.072 0.000 1.295 191 L HN 0.675 nan 8.230 nan 0.000 0.441 192 L N 0.807 122.167 121.223 0.228 0.000 2.425 192 L HA 0.211 4.551 4.340 -0.000 0.000 0.215 192 L C 1.042 178.064 176.870 0.252 0.000 1.065 192 L CA 0.316 55.329 54.840 0.289 0.000 0.842 192 L CB 0.172 42.405 42.059 0.290 0.000 1.033 192 L HN 0.414 nan 8.230 nan 0.000 0.474 193 K N 1.640 121.947 120.400 -0.156 0.000 2.281 193 K HA 0.220 4.540 4.320 -0.000 0.000 0.272 193 K C -1.849 174.488 176.600 -0.438 0.000 1.048 193 K CA -1.857 54.057 56.287 -0.622 0.000 0.898 193 K CB 1.741 33.576 32.500 -1.109 0.000 1.128 193 K HN -0.239 nan 8.250 nan 0.000 0.460 194 P HA -0.102 nan 4.420 nan 0.000 0.221 194 P C -0.018 176.979 177.300 -0.504 0.000 1.150 194 P CA 1.103 63.483 63.100 -1.199 0.000 0.800 194 P CB 0.175 31.133 31.700 -1.236 0.000 0.787 195 N N -0.387 118.125 118.700 -0.314 0.000 2.137 195 N HA -0.128 4.612 4.740 -0.000 0.000 0.190 195 N C 1.649 177.029 175.510 -0.217 0.000 1.017 195 N CA 1.816 54.721 53.050 -0.243 0.000 0.859 195 N CB -1.703 36.658 38.487 -0.209 0.000 1.002 195 N HN 0.156 nan 8.380 nan 0.000 0.428 196 T N -0.181 114.252 114.554 -0.203 0.000 2.746 196 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 196 T C 2.010 176.695 174.700 -0.024 0.000 1.039 196 T CA 1.342 63.365 62.100 -0.128 0.000 1.142 196 T CB -0.361 68.484 68.868 -0.039 0.000 0.866 196 T HN 0.196 nan 8.240 nan 0.000 0.444 197 S N 0.679 116.395 115.700 0.026 0.000 2.402 197 S HA -0.045 4.425 4.470 -0.000 0.000 0.229 197 S C 2.289 176.919 174.600 0.050 0.000 1.021 197 S CA 0.514 58.800 58.200 0.145 0.000 0.974 197 S CB -0.359 62.939 63.200 0.162 0.000 0.800 197 S HN 0.287 nan 8.310 nan 0.000 0.484 198 V N 1.783 121.659 119.914 -0.062 0.000 2.343 198 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 198 V C 2.456 178.489 176.094 -0.101 0.000 1.051 198 V CA 1.615 63.866 62.300 -0.081 0.000 1.036 198 V CB -0.715 31.017 31.823 -0.151 0.000 0.654 198 V HN 0.472 nan 8.190 nan 0.000 0.451 199 Q N -0.898 118.801 119.800 -0.168 0.000 2.061 199 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 199 Q C 2.182 178.041 176.000 -0.235 0.000 0.984 199 Q CA 2.070 57.724 55.803 -0.249 0.000 0.846 199 Q CB -0.238 28.266 28.738 -0.389 0.000 0.902 199 Q HN 0.603 nan 8.270 nan 0.000 0.421 200 F N 0.084 119.967 119.950 -0.112 0.000 2.186 200 F HA -0.178 4.348 4.527 -0.000 0.000 0.299 200 F C 2.050 177.759 175.800 -0.151 0.000 1.090 200 F CA 0.628 58.538 58.000 -0.150 0.000 1.307 200 F CB -0.561 38.341 39.000 -0.164 0.000 1.019 200 F HN 0.113 nan 8.300 nan 0.000 0.489 201 L N 0.561 121.821 121.223 0.061 0.000 1.989 201 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 201 L C 2.361 179.220 176.870 -0.018 0.000 1.071 201 L CA 1.887 56.727 54.840 0.000 0.000 0.749 201 L CB -0.619 41.441 42.059 0.000 0.000 0.890 201 L HN -0.021 nan 8.230 nan 0.000 0.431 202 R N -1.082 119.398 120.500 -0.034 0.000 2.237 202 R HA -0.018 4.322 4.340 -0.000 0.000 0.219 202 R C 2.148 178.426 176.300 -0.035 0.000 1.080 202 R CA 0.869 56.944 56.100 -0.042 0.000 0.995 202 R CB -0.239 30.024 30.300 -0.061 0.000 0.875 202 R HN 0.398 nan 8.270 nan 0.000 0.462 203 L N -0.791 120.412 121.223 -0.034 0.000 2.478 203 L HA 0.079 4.419 4.340 -0.000 0.000 0.223 203 L C 1.021 177.890 176.870 -0.003 0.000 1.140 203 L CA 0.619 55.446 54.840 -0.021 0.000 0.842 203 L CB 0.147 42.190 42.059 -0.026 0.000 0.953 203 L HN 0.486 nan 8.230 nan 0.000 0.452 204 G N -0.569 108.225 108.800 -0.010 0.000 2.137 204 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.237 204 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.237 204 G C 0.695 175.577 174.900 -0.030 0.000 1.002 204 G CA 0.504 45.596 45.100 -0.014 0.000 0.702 204 G HN 0.306 nan 8.290 nan 0.000 0.515 205 M N -0.514 119.055 119.600 -0.053 0.000 2.510 205 M HA 0.346 4.826 4.480 -0.000 0.000 0.256 205 M C 1.057 177.138 176.300 -0.365 0.000 1.132 205 M CA 0.736 55.960 55.300 -0.127 0.000 1.105 205 M CB 0.256 32.815 32.600 -0.068 0.000 1.375 205 M HN 0.168 nan 8.290 nan 0.000 0.477 206 L N 0.176 121.213 121.223 -0.310 0.000 2.312 206 L HA 0.288 4.628 4.340 -0.000 0.000 0.281 206 L C 0.499 177.261 176.870 -0.180 0.000 1.070 206 L CA -0.579 54.051 54.840 -0.351 0.000 0.805 206 L CB 1.422 43.339 42.059 -0.236 0.000 1.174 206 L HN -0.033 nan 8.230 nan 0.000 0.434 207 S N 3.268 118.874 115.700 -0.157 0.000 2.531 207 S HA 0.180 4.650 4.470 -0.000 0.000 0.279 207 S C -1.517 173.044 174.600 -0.064 0.000 1.305 207 S CA -1.127 57.022 58.200 -0.085 0.000 1.058 207 S CB 0.997 64.155 63.200 -0.071 0.000 0.899 207 S HN 0.387 nan 8.310 nan 0.000 0.493 208 P HA -0.026 nan 4.420 nan 0.000 0.220 208 P C 0.324 177.609 177.300 -0.025 0.000 1.148 208 P CA 0.925 64.009 63.100 -0.026 0.000 0.803 208 P CB 0.095 31.783 31.700 -0.019 0.000 0.782 209 E N -1.108 119.069 120.200 -0.038 0.000 2.502 209 E HA 0.241 4.591 4.350 -0.000 0.000 0.194 209 E C 1.174 177.743 176.600 -0.053 0.000 1.062 209 E CA 0.419 56.793 56.400 -0.044 0.000 0.867 209 E CB -1.012 28.653 29.700 -0.058 0.000 0.888 209 E HN 0.077 nan 8.360 nan 0.000 0.510 210 G N 1.145 109.917 108.800 -0.047 0.000 2.366 210 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.299 210 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.299 210 G C -0.061 174.804 174.900 -0.057 0.000 1.020 210 G CA 0.827 45.903 45.100 -0.039 0.000 1.026 210 G HN 0.228 nan 8.290 nan 0.000 0.512 211 T N -0.985 113.516 114.554 -0.088 0.000 2.933 211 T HA 0.409 4.759 4.350 -0.000 0.000 0.305 211 T C -0.100 174.539 174.700 -0.103 0.000 1.092 211 T CA -0.412 61.597 62.100 -0.152 0.000 1.008 211 T CB 1.900 70.558 68.868 -0.350 0.000 1.102 211 T HN 0.338 nan 8.240 nan 0.000 0.469 212 C N 3.673 122.931 119.300 -0.071 0.000 2.168 212 C HA 0.307 4.767 4.460 -0.000 0.000 0.333 212 C C 1.102 176.042 174.990 -0.083 0.000 1.106 212 C CA -0.850 58.135 59.018 -0.056 0.000 1.574 212 C CB -1.366 26.340 27.740 -0.058 0.000 2.055 212 C HN 0.762 nan 8.230 nan 0.000 0.473 213 K N 2.417 122.767 120.400 -0.082 0.000 2.751 213 K HA 0.298 4.618 4.320 -0.000 0.000 0.252 213 K C 0.755 177.308 176.600 -0.079 0.000 1.277 213 K CA -0.054 56.207 56.287 -0.042 0.000 1.226 213 K CB 0.095 32.585 32.500 -0.015 0.000 1.658 213 K HN 0.798 nan 8.250 nan 0.000 0.303 214 A N 1.221 123.892 122.820 -0.249 0.000 2.584 214 A HA 0.011 4.331 4.320 -0.000 0.000 0.239 214 A C 0.335 177.613 177.584 -0.510 0.000 1.043 214 A CA 0.283 51.955 52.037 -0.609 0.000 0.756 214 A CB -0.642 17.665 19.000 -1.156 0.000 0.963 214 A HN 0.656 nan 8.150 nan 0.000 0.511 215 F N -1.030 118.945 119.950 0.042 0.000 2.825 215 F HA -0.188 4.339 4.527 -0.000 0.000 0.358 215 F C 0.445 176.412 175.800 0.278 0.000 0.639 215 F CA 0.948 58.997 58.000 0.081 0.000 1.153 215 F CB -2.254 36.684 39.000 -0.104 0.000 1.610 215 F HN 0.737 nan 8.300 nan 0.000 0.305 216 D N 0.655 121.268 120.400 0.355 0.000 2.193 216 D HA 0.281 4.921 4.640 -0.000 0.000 0.249 216 D C 1.193 177.574 176.300 0.136 0.000 1.034 216 D CA 0.589 54.736 54.000 0.246 0.000 0.902 216 D CB 1.797 42.689 40.800 0.153 0.000 1.182 216 D HN 0.053 nan 8.370 nan 0.000 0.436 217 T N 2.420 117.026 114.554 0.087 0.000 2.737 217 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 217 T C 1.519 176.246 174.700 0.046 0.000 1.040 217 T CA 1.600 63.736 62.100 0.060 0.000 1.142 217 T CB -0.035 68.852 68.868 0.033 0.000 0.861 217 T HN 0.546 nan 8.240 nan 0.000 0.456 218 A N 1.233 124.078 122.820 0.041 0.000 2.238 218 A HA 0.469 4.788 4.320 -0.000 0.000 0.208 218 A C 1.468 179.064 177.584 0.020 0.000 1.177 218 A CA 0.163 52.216 52.037 0.027 0.000 0.804 218 A CB -0.666 18.350 19.000 0.026 0.000 0.823 218 A HN 0.466 nan 8.150 nan 0.000 0.482 219 G N 1.383 110.202 108.800 0.031 0.000 2.202 219 G HA2 0.251 4.211 3.960 -0.000 0.000 0.251 219 G HA3 0.251 4.211 3.960 -0.000 0.000 0.251 219 G C 0.164 175.071 174.900 0.012 0.000 1.219 219 G CA 0.282 45.392 45.100 0.017 0.000 0.943 219 G HN 0.591 nan 8.290 nan 0.000 0.465 220 N N 1.650 120.349 118.700 -0.002 0.000 2.536 220 N HA 0.425 5.165 4.740 -0.000 0.000 0.286 220 N C 0.405 175.905 175.510 -0.016 0.000 1.577 220 N CA 0.094 53.142 53.050 -0.004 0.000 0.883 220 N CB 0.589 39.070 38.487 -0.009 0.000 1.390 220 N HN 1.181 nan 8.380 nan 0.000 0.491 221 G N 0.029 108.827 108.800 -0.004 0.000 2.354 221 G HA2 0.167 4.127 3.960 -0.000 0.000 0.582 221 G HA3 0.167 4.127 3.960 -0.000 0.000 0.582 221 G C -1.663 173.246 174.900 0.016 0.000 1.316 221 G CA -0.648 44.440 45.100 -0.020 0.000 0.995 221 G HN 0.446 nan 8.290 nan 0.000 0.573 222 Y N -1.955 118.318 120.300 -0.045 0.000 2.621 222 Y HA 0.797 5.347 4.550 -0.000 0.000 0.334 222 Y C 0.439 176.312 175.900 -0.044 0.000 1.074 222 Y CA -1.507 56.566 58.100 -0.045 0.000 1.149 222 Y CB 1.326 39.784 38.460 -0.003 0.000 1.302 222 Y HN 1.152 nan 8.280 nan 0.000 0.501 223 C N 3.835 123.258 119.300 0.205 0.000 2.295 223 C HA 0.581 5.041 4.460 -0.000 0.000 0.331 223 C C 0.003 175.134 174.990 0.236 0.000 1.280 223 C CA -0.707 58.376 59.018 0.108 0.000 1.746 223 C CB -0.473 27.303 27.740 0.061 0.000 2.328 223 C HN 0.988 nan 8.230 nan 0.000 0.521 224 R N 4.344 124.928 120.500 0.141 0.000 2.491 224 R HA 0.463 4.803 4.340 -0.000 0.000 0.283 224 R C 0.068 176.410 176.300 0.071 0.000 1.072 224 R CA 0.215 56.397 56.100 0.137 0.000 1.048 224 R CB 0.898 31.255 30.300 0.096 0.000 0.983 224 R HN 0.831 nan 8.270 nan 0.000 0.450 225 S N 1.018 116.741 115.700 0.038 0.000 2.661 225 S HA 0.311 4.781 4.470 -0.000 0.000 0.285 225 S C -0.931 173.666 174.600 -0.004 0.000 1.138 225 S CA -0.976 57.234 58.200 0.016 0.000 0.855 225 S CB 2.246 65.467 63.200 0.034 0.000 1.136 225 S HN 0.481 nan 8.310 nan 0.000 0.484 226 E N -0.137 120.056 120.200 -0.012 0.000 2.232 226 E HA 0.722 5.072 4.350 -0.000 0.000 0.265 226 E C -0.254 176.329 176.600 -0.028 0.000 1.001 226 E CA -1.031 55.359 56.400 -0.017 0.000 0.870 226 E CB 1.745 31.433 29.700 -0.021 0.000 1.175 226 E HN 0.732 nan 8.360 nan 0.000 0.407 227 G N -0.234 108.548 108.800 -0.031 0.000 2.655 227 G HA2 0.424 4.384 3.960 -0.000 0.000 0.296 227 G HA3 0.424 4.384 3.960 -0.000 0.000 0.296 227 G C -1.687 173.191 174.900 -0.036 0.000 1.485 227 G CA -0.481 44.588 45.100 -0.051 0.000 0.869 227 G HN 0.290 nan 8.290 nan 0.000 0.540 228 V N 1.355 121.243 119.914 -0.043 0.000 2.462 228 V HA 0.634 4.754 4.120 -0.000 0.000 0.288 228 V C -0.394 175.689 176.094 -0.019 0.000 1.020 228 V CA -0.603 61.685 62.300 -0.021 0.000 0.857 228 V CB 1.371 33.185 31.823 -0.015 0.000 1.013 228 V HN 0.765 nan 8.190 nan 0.000 0.431 229 V N 3.004 122.915 119.914 -0.005 0.000 2.876 229 V HA 0.986 5.106 4.120 -0.000 0.000 0.312 229 V C -0.019 176.097 176.094 0.035 0.000 1.085 229 V CA -0.554 61.747 62.300 0.002 0.000 0.945 229 V CB 2.128 33.938 31.823 -0.022 0.000 1.017 229 V HN 0.981 nan 8.190 nan 0.000 0.428 230 A N 2.841 125.692 122.820 0.051 0.000 2.486 230 A HA 0.931 5.251 4.320 -0.000 0.000 0.300 230 A C -1.470 176.153 177.584 0.065 0.000 1.048 230 A CA -0.582 51.496 52.037 0.069 0.000 0.696 230 A CB 2.119 21.173 19.000 0.090 0.000 1.278 230 A HN 0.705 nan 8.150 nan 0.000 0.405 231 V N 1.894 121.847 119.914 0.065 0.000 2.789 231 V HA 0.562 4.682 4.120 -0.000 0.000 0.311 231 V C -1.105 175.029 176.094 0.066 0.000 1.073 231 V CA -0.586 61.751 62.300 0.063 0.000 0.921 231 V CB 1.896 33.748 31.823 0.048 0.000 1.009 231 V HN 0.923 nan 8.190 nan 0.000 0.426 232 L N 5.305 126.569 121.223 0.069 0.000 2.287 232 L HA 0.687 5.027 4.340 -0.000 0.000 0.287 232 L C -1.119 175.782 176.870 0.051 0.000 1.022 232 L CA 0.106 54.972 54.840 0.044 0.000 0.814 232 L CB 1.153 43.230 42.059 0.031 0.000 1.217 232 L HN 0.495 nan 8.230 nan 0.000 0.420 233 L N 4.485 125.729 121.223 0.036 0.000 2.334 233 L HA 0.832 5.172 4.340 -0.000 0.000 0.276 233 L C 0.171 177.051 176.870 0.017 0.000 1.014 233 L CA 0.077 54.942 54.840 0.042 0.000 0.815 233 L CB 2.038 44.125 42.059 0.047 0.000 1.268 233 L HN 0.875 nan 8.230 nan 0.000 0.428 234 T N -0.791 113.775 114.554 0.020 0.000 2.843 234 T HA 0.529 4.879 4.350 -0.000 0.000 0.302 234 T C -0.781 173.927 174.700 0.013 0.000 1.232 234 T CA -1.153 60.949 62.100 0.002 0.000 1.009 234 T CB 1.538 70.397 68.868 -0.015 0.000 1.254 234 T HN 0.563 nan 8.240 nan 0.000 0.504 235 K N 1.476 121.879 120.400 0.004 0.000 2.355 235 K HA 0.265 4.585 4.320 -0.000 0.000 0.270 235 K C 1.164 177.770 176.600 0.010 0.000 1.003 235 K CA -0.793 55.499 56.287 0.009 0.000 0.957 235 K CB 1.053 33.551 32.500 -0.004 0.000 0.939 235 K HN 0.774 nan 8.250 nan 0.000 0.482 236 K N 1.355 121.767 120.400 0.020 0.000 2.077 236 K HA -0.282 4.038 4.320 -0.000 0.000 0.213 236 K C 2.017 178.623 176.600 0.010 0.000 1.051 236 K CA 2.526 58.825 56.287 0.020 0.000 0.929 236 K CB -0.320 32.197 32.500 0.028 0.000 0.715 236 K HN 0.842 nan 8.250 nan 0.000 0.451 237 S N 0.222 115.926 115.700 0.007 0.000 2.419 237 S HA -0.149 4.321 4.470 -0.000 0.000 0.235 237 S C 1.743 176.339 174.600 -0.008 0.000 1.019 237 S CA 1.037 59.240 58.200 0.005 0.000 0.982 237 S CB -0.205 62.998 63.200 0.004 0.000 0.789 237 S HN 0.214 nan 8.310 nan 0.000 0.490 238 L N 1.260 122.472 121.223 -0.018 0.000 2.509 238 L HA 0.468 4.808 4.340 -0.000 0.000 0.222 238 L C 1.369 178.199 176.870 -0.067 0.000 1.123 238 L CA 0.195 55.013 54.840 -0.037 0.000 0.856 238 L CB -1.071 40.969 42.059 -0.032 0.000 0.985 238 L HN 0.426 nan 8.230 nan 0.000 0.456 239 A N -0.729 122.056 122.820 -0.057 0.000 2.388 239 A HA 0.411 4.731 4.320 -0.000 0.000 0.257 239 A C 1.028 178.515 177.584 -0.162 0.000 1.095 239 A CA -0.303 51.681 52.037 -0.088 0.000 0.791 239 A CB 0.471 19.444 19.000 -0.046 0.000 1.029 239 A HN 0.118 nan 8.150 nan 0.000 0.489 240 R N 0.619 120.954 120.500 -0.274 0.000 2.140 240 R HA 0.158 4.498 4.340 -0.000 0.000 0.200 240 R C 0.847 177.032 176.300 -0.192 0.000 1.069 240 R CA 0.626 56.377 56.100 -0.582 0.000 1.088 240 R CB -0.310 29.522 30.300 -0.780 0.000 1.012 240 R HN 0.774 nan 8.270 nan 0.000 0.500 241 R N 1.127 121.529 120.500 -0.165 0.000 2.532 241 R HA 0.472 4.812 4.340 -0.000 0.000 0.295 241 R C -1.273 174.917 176.300 -0.183 0.000 0.968 241 R CA -0.321 55.684 56.100 -0.158 0.000 0.916 241 R CB 1.641 31.784 30.300 -0.261 0.000 1.124 241 R HN -0.159 nan 8.270 nan 0.000 0.463 242 V N 5.515 125.313 119.914 -0.193 0.000 2.447 242 V HA 0.204 4.324 4.120 -0.000 0.000 0.292 242 V C -0.400 175.602 176.094 -0.152 0.000 1.021 242 V CA -0.571 61.657 62.300 -0.120 0.000 0.850 242 V CB 1.354 33.157 31.823 -0.034 0.000 1.005 242 V HN 0.843 nan 8.190 nan 0.000 0.426 243 Y N 3.063 123.359 120.300 -0.007 0.000 2.286 243 Y HA 0.485 5.035 4.550 -0.000 0.000 0.293 243 Y C 1.225 177.114 175.900 -0.019 0.000 1.124 243 Y CA 1.090 59.177 58.100 -0.022 0.000 1.178 243 Y CB 0.339 38.790 38.460 -0.015 0.000 1.010 243 Y HN 0.716 nan 8.280 nan 0.000 0.536 244 A N -1.509 121.406 122.820 0.159 0.000 2.586 244 A HA 0.604 4.924 4.320 -0.000 0.000 0.291 244 A C -0.956 176.670 177.584 0.070 0.000 1.062 244 A CA -0.718 51.372 52.037 0.089 0.000 0.666 244 A CB 0.445 19.497 19.000 0.086 0.000 1.281 244 A HN -0.122 nan 8.150 nan 0.000 0.421 245 T N 1.475 116.057 114.554 0.046 0.000 2.824 245 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 245 T C -0.069 174.648 174.700 0.028 0.000 0.995 245 T CA -0.068 62.061 62.100 0.047 0.000 1.009 245 T CB 0.516 69.409 68.868 0.041 0.000 0.955 245 T HN 0.420 nan 8.240 nan 0.000 0.452 246 I N 4.311 124.904 120.570 0.038 0.000 2.363 246 I HA 0.138 4.307 4.170 -0.000 0.000 0.292 246 I C 1.236 177.319 176.117 -0.057 0.000 1.075 246 I CA -0.178 61.092 61.300 -0.050 0.000 1.333 246 I CB 0.722 38.669 38.000 -0.088 0.000 1.415 246 I HN 0.591 nan 8.210 nan 0.000 0.502 247 L N 5.138 126.305 121.223 -0.092 0.000 2.209 247 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 247 L C 0.625 177.425 176.870 -0.117 0.000 1.094 247 L CA 0.840 55.648 54.840 -0.053 0.000 0.790 247 L CB -0.251 41.784 42.059 -0.040 0.000 0.932 247 L HN 0.675 nan 8.230 nan 0.000 0.447 248 N N -1.085 117.447 118.700 -0.280 0.000 2.935 248 N HA 0.565 5.305 4.740 -0.000 0.000 0.248 248 N C -1.995 173.203 175.510 -0.520 0.000 1.276 248 N CA -0.023 52.804 53.050 -0.372 0.000 0.906 248 N CB 1.935 40.364 38.487 -0.097 0.000 1.564 248 N HN -0.041 nan 8.380 nan 0.000 0.500 249 A N 0.381 122.865 122.820 -0.561 0.000 2.488 249 A HA 0.864 5.184 4.320 -0.000 0.000 0.295 249 A C -0.531 176.971 177.584 -0.137 0.000 1.045 249 A CA 0.032 51.841 52.037 -0.380 0.000 0.703 249 A CB 1.221 19.894 19.000 -0.545 0.000 1.271 249 A HN 0.810 nan 8.150 nan 0.000 0.400 250 G N -0.510 108.264 108.800 -0.043 0.000 2.684 250 G HA2 0.763 4.723 3.960 -0.000 0.000 0.290 250 G HA3 0.763 4.723 3.960 -0.000 0.000 0.290 250 G C -1.048 173.873 174.900 0.034 0.000 1.425 250 G CA 0.136 45.243 45.100 0.012 0.000 0.822 250 G HN 1.212 nan 8.290 nan 0.000 0.482 251 T N -0.562 114.011 114.554 0.032 0.000 2.900 251 T HA 0.673 5.023 4.350 -0.000 0.000 0.303 251 T C -1.074 173.638 174.700 0.021 0.000 1.142 251 T CA -0.609 61.513 62.100 0.036 0.000 1.007 251 T CB 1.748 70.633 68.868 0.028 0.000 1.156 251 T HN 1.208 nan 8.240 nan 0.000 0.490 252 N N 0.550 119.258 118.700 0.014 0.000 2.972 252 N HA 0.603 5.343 4.740 -0.000 0.000 0.262 252 N C -1.698 173.805 175.510 -0.012 0.000 1.478 252 N CA -0.595 52.452 53.050 -0.005 0.000 0.841 252 N CB 1.506 39.979 38.487 -0.023 0.000 1.512 252 N HN 0.499 nan 8.380 nan 0.000 0.548 253 T N -0.316 114.228 114.554 -0.018 0.000 2.893 253 T HA 0.307 4.657 4.350 -0.000 0.000 0.293 253 T C -0.138 174.545 174.700 -0.028 0.000 1.027 253 T CA -0.425 61.663 62.100 -0.020 0.000 0.988 253 T CB 1.647 70.513 68.868 -0.004 0.000 1.043 253 T HN 0.404 nan 8.240 nan 0.000 0.461 254 D N 1.462 121.839 120.400 -0.038 0.000 2.182 254 D HA 0.066 4.706 4.640 -0.000 0.000 0.201 254 D C 1.577 177.874 176.300 -0.004 0.000 0.986 254 D CA 2.029 56.007 54.000 -0.037 0.000 0.847 254 D CB -0.396 40.383 40.800 -0.035 0.000 0.942 254 D HN 0.940 nan 8.370 nan 0.000 0.467 255 G N 0.298 109.109 108.800 0.019 0.000 2.539 255 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.256 255 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.256 255 G C -0.221 174.735 174.900 0.093 0.000 1.233 255 G CA -0.165 44.972 45.100 0.062 0.000 0.936 255 G HN 0.287 nan 8.290 nan 0.000 0.571 256 F N 2.335 122.286 119.950 0.002 0.000 2.443 256 F HA 0.674 5.201 4.527 -0.000 0.000 0.353 256 F C 0.562 176.362 175.800 0.001 0.000 1.101 256 F CA -0.013 57.989 58.000 0.003 0.000 1.226 256 F CB 0.792 39.790 39.000 -0.004 0.000 1.140 256 F HN 0.473 nan 8.300 nan 0.000 0.557 257 K N 5.342 125.106 120.400 -1.061 0.000 2.482 257 K HA 0.164 4.484 4.320 -0.000 0.000 0.251 257 K C 0.402 176.351 176.600 -1.085 0.000 0.936 257 K CA -0.807 55.005 56.287 -0.792 0.000 0.791 257 K CB 1.995 34.300 32.500 -0.326 0.000 1.213 257 K HN 0.518 nan 8.250 nan 0.000 0.428 258 E N 1.448 121.205 120.200 -0.739 0.000 2.204 258 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 258 E C 0.867 177.266 176.600 -0.335 0.000 0.990 258 E CA 1.588 57.741 56.400 -0.412 0.000 0.821 258 E CB 0.275 29.871 29.700 -0.173 0.000 0.750 258 E HN 0.508 nan 8.360 nan 0.000 0.477 259 Q N -0.469 119.068 119.800 -0.438 0.000 2.472 259 Q HA 0.178 4.518 4.340 -0.000 0.000 0.208 259 Q C 0.720 176.623 176.000 -0.161 0.000 0.958 259 Q CA 0.686 56.256 55.803 -0.388 0.000 0.932 259 Q CB 0.543 28.740 28.738 -0.902 0.000 1.007 259 Q HN 0.247 nan 8.270 nan 0.000 0.508 260 G N -1.081 107.624 108.800 -0.157 0.000 2.515 260 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 260 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 260 G C -0.014 174.900 174.900 0.022 0.000 1.274 260 G CA -0.484 44.596 45.100 -0.033 0.000 0.874 260 G HN 0.053 nan 8.290 nan 0.000 0.631 261 V N 0.257 120.207 119.914 0.060 0.000 2.490 261 V HA -0.014 4.106 4.120 -0.000 0.000 0.250 261 V C 2.730 178.912 176.094 0.147 0.000 1.061 261 V CA 3.778 66.130 62.300 0.087 0.000 1.064 261 V CB -0.452 31.428 31.823 0.095 0.000 0.670 261 V HN 1.824 nan 8.190 nan 0.000 0.461 262 T N -3.096 111.573 114.554 0.192 0.000 3.107 262 T HA 0.122 4.472 4.350 -0.000 0.000 0.249 262 T C 0.330 175.153 174.700 0.205 0.000 1.096 262 T CA -0.248 61.998 62.100 0.243 0.000 1.012 262 T CB -0.494 68.532 68.868 0.263 0.000 0.977 262 T HN 0.347 nan 8.240 nan 0.000 0.527 263 F N 5.052 125.029 119.950 0.045 0.000 2.421 263 F HA 0.444 4.971 4.527 -0.000 0.000 0.358 263 F C -2.420 173.382 175.800 0.004 0.000 1.115 263 F CA -3.139 54.873 58.000 0.020 0.000 1.160 263 F CB 1.039 40.026 39.000 -0.022 0.000 1.123 263 F HN -0.059 nan 8.300 nan 0.000 0.508 264 P HA 0.021 nan 4.420 nan 0.000 0.276 264 P C -0.957 176.217 177.300 -0.210 0.000 1.230 264 P CA -0.219 62.737 63.100 -0.239 0.000 0.776 264 P CB 1.492 33.060 31.700 -0.221 0.000 0.888 265 S N 2.276 117.929 115.700 -0.079 0.000 2.404 265 S HA 0.384 4.854 4.470 -0.000 0.000 0.309 265 S C 1.750 176.270 174.600 -0.135 0.000 1.076 265 S CA -0.267 57.924 58.200 -0.015 0.000 1.095 265 S CB -0.511 62.694 63.200 0.009 0.000 0.972 265 S HN 0.540 nan 8.310 nan 0.000 0.484 266 G N 3.534 112.275 108.800 -0.098 0.000 2.432 266 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 266 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 266 G C 1.051 175.883 174.900 -0.113 0.000 1.135 266 G CA 0.652 45.678 45.100 -0.123 0.000 0.767 266 G HN 0.690 nan 8.290 nan 0.000 0.550 267 D N 0.672 121.030 120.400 -0.069 0.000 2.117 267 D HA -0.078 4.562 4.640 -0.000 0.000 0.198 267 D C 2.555 178.800 176.300 -0.093 0.000 0.982 267 D CA 0.454 54.415 54.000 -0.064 0.000 0.828 267 D CB -0.025 40.754 40.800 -0.034 0.000 0.967 267 D HN 0.218 nan 8.370 nan 0.000 0.464 268 I N 1.069 121.574 120.570 -0.109 0.000 2.286 268 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 268 I C 2.310 178.316 176.117 -0.186 0.000 1.104 268 I CA 0.947 62.172 61.300 -0.125 0.000 1.397 268 I CB -1.010 36.923 38.000 -0.111 0.000 1.072 268 I HN 0.063 nan 8.210 nan 0.000 0.417 269 Q N 0.496 120.124 119.800 -0.286 0.000 2.096 269 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 269 Q C 2.179 178.048 176.000 -0.219 0.000 0.982 269 Q CA 1.749 57.322 55.803 -0.382 0.000 0.850 269 Q CB -0.227 28.118 28.738 -0.656 0.000 0.901 269 Q HN 0.527 nan 8.270 nan 0.000 0.422 270 E N 1.022 121.116 120.200 -0.175 0.000 2.077 270 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 270 E C 1.931 178.441 176.600 -0.150 0.000 0.989 270 E CA 1.172 57.487 56.400 -0.141 0.000 0.800 270 E CB 0.080 29.718 29.700 -0.104 0.000 0.746 270 E HN 0.423 nan 8.360 nan 0.000 0.452 271 Q N 0.128 119.847 119.800 -0.135 0.000 2.124 271 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 271 Q C 2.329 178.239 176.000 -0.150 0.000 0.977 271 Q CA 1.204 56.929 55.803 -0.130 0.000 0.850 271 Q CB -0.126 28.554 28.738 -0.097 0.000 0.901 271 Q HN 0.264 nan 8.270 nan 0.000 0.429 272 L N 0.688 121.827 121.223 -0.141 0.000 2.017 272 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 272 L C 1.946 178.707 176.870 -0.181 0.000 1.073 272 L CA 1.620 56.390 54.840 -0.116 0.000 0.745 272 L CB -0.364 41.658 42.059 -0.061 0.000 0.894 272 L HN 0.186 nan 8.230 nan 0.000 0.432 273 I N -0.626 119.774 120.570 -0.283 0.000 2.163 273 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 273 I C 2.769 178.643 176.117 -0.405 0.000 1.085 273 I CA 1.692 62.714 61.300 -0.463 0.000 1.347 273 I CB -0.388 37.322 38.000 -0.483 0.000 1.044 273 I HN 0.315 nan 8.210 nan 0.000 0.408 274 R N 0.990 121.229 120.500 -0.436 0.000 2.081 274 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 274 R C 2.537 178.399 176.300 -0.731 0.000 1.131 274 R CA 1.973 57.586 56.100 -0.812 0.000 0.960 274 R CB -0.260 29.787 30.300 -0.421 0.000 0.856 274 R HN 0.455 nan 8.270 nan 0.000 0.436 275 S N 0.421 115.903 115.700 -0.362 0.000 2.399 275 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 275 S C 2.039 176.537 174.600 -0.172 0.000 1.022 275 S CA 1.110 59.177 58.200 -0.223 0.000 0.983 275 S CB -0.392 62.734 63.200 -0.123 0.000 0.803 275 S HN 0.379 nan 8.310 nan 0.000 0.480 276 L N 0.313 121.450 121.223 -0.144 0.000 2.072 276 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 276 L C 2.806 179.721 176.870 0.076 0.000 1.079 276 L CA 1.521 56.363 54.840 0.004 0.000 0.752 276 L CB -0.747 41.396 42.059 0.140 0.000 0.906 276 L HN 0.545 nan 8.230 nan 0.000 0.436 277 Y N -0.898 119.478 120.300 0.127 0.000 2.395 277 Y HA -0.044 4.506 4.550 -0.000 0.000 0.293 277 Y C 2.313 178.272 175.900 0.098 0.000 1.123 277 Y CA 0.298 58.497 58.100 0.166 0.000 1.227 277 Y CB -1.063 37.563 38.460 0.276 0.000 1.012 277 Y HN 0.108 nan 8.280 nan 0.000 0.552 278 Q N 0.896 120.692 119.800 -0.006 0.000 2.046 278 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 278 Q C 2.448 178.490 176.000 0.070 0.000 0.975 278 Q CA 2.198 58.042 55.803 0.070 0.000 0.836 278 Q CB -0.235 28.462 28.738 -0.068 0.000 0.896 278 Q HN 0.697 nan 8.270 nan 0.000 0.428 279 S N -0.233 115.486 115.700 0.031 0.000 2.489 279 S HA 0.079 4.549 4.470 -0.000 0.000 0.228 279 S C 1.806 176.444 174.600 0.064 0.000 0.995 279 S CA 0.583 58.809 58.200 0.042 0.000 0.934 279 S CB 0.155 63.370 63.200 0.025 0.000 0.771 279 S HN 0.324 nan 8.310 nan 0.000 0.522 280 A N 0.858 123.730 122.820 0.087 0.000 2.238 280 A HA 0.589 4.909 4.320 -0.000 0.000 0.210 280 A C 1.659 179.295 177.584 0.088 0.000 1.179 280 A CA 0.349 52.435 52.037 0.082 0.000 0.827 280 A CB -1.061 17.990 19.000 0.086 0.000 0.856 280 A HN 1.472 nan 8.150 nan 0.000 0.488 281 G N -0.790 108.075 108.800 0.107 0.000 2.246 281 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.273 281 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.273 281 G C -0.021 174.936 174.900 0.094 0.000 1.055 281 G CA 0.350 45.508 45.100 0.097 0.000 0.851 281 G HN 0.783 nan 8.290 nan 0.000 0.500 282 V N 0.183 120.183 119.914 0.143 0.000 2.483 282 V HA 0.806 4.926 4.120 -0.000 0.000 0.295 282 V C 0.759 176.906 176.094 0.088 0.000 1.035 282 V CA -0.296 62.059 62.300 0.091 0.000 0.896 282 V CB 1.773 33.648 31.823 0.086 0.000 0.986 282 V HN 1.088 nan 8.190 nan 0.000 0.447 283 A N 6.134 128.948 122.820 -0.009 0.000 2.327 283 A HA 0.651 4.971 4.320 -0.000 0.000 0.283 283 A C -1.665 175.847 177.584 -0.120 0.000 1.127 283 A CA -1.415 50.578 52.037 -0.073 0.000 0.810 283 A CB 0.602 19.579 19.000 -0.039 0.000 1.066 283 A HN 0.684 nan 8.150 nan 0.000 0.492 284 P HA -0.186 nan 4.420 nan 0.000 0.219 284 P C 1.133 178.446 177.300 0.021 0.000 1.146 284 P CA 1.657 64.586 63.100 -0.284 0.000 0.808 284 P CB 0.224 31.648 31.700 -0.461 0.000 0.779 285 E N 0.347 120.536 120.200 -0.019 0.000 2.418 285 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 285 E C 1.611 178.236 176.600 0.041 0.000 1.026 285 E CA 1.172 57.581 56.400 0.015 0.000 0.862 285 E CB -0.641 29.054 29.700 -0.009 0.000 0.799 285 E HN 0.208 nan 8.360 nan 0.000 0.518 286 S N -0.559 115.155 115.700 0.024 0.000 2.561 286 S HA 0.050 4.520 4.470 -0.000 0.000 0.225 286 S C 0.215 174.756 174.600 -0.099 0.000 0.977 286 S CA -0.450 57.713 58.200 -0.062 0.000 0.926 286 S CB -0.418 62.690 63.200 -0.153 0.000 0.769 286 S HN 0.158 nan 8.310 nan 0.000 0.533 287 F N 2.352 122.285 119.950 -0.029 0.000 2.427 287 F HA 0.399 4.926 4.527 -0.000 0.000 0.352 287 F C 1.557 177.366 175.800 0.014 0.000 1.100 287 F CA -0.583 57.416 58.000 -0.001 0.000 1.191 287 F CB 0.983 39.967 39.000 -0.027 0.000 1.128 287 F HN 0.184 nan 8.300 nan 0.000 0.533 288 E N 2.745 123.076 120.200 0.217 0.000 2.162 288 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 288 E C -0.833 175.847 176.600 0.133 0.000 0.953 288 E CA 0.415 56.928 56.400 0.189 0.000 0.849 288 E CB 0.401 30.266 29.700 0.275 0.000 0.810 288 E HN 0.603 nan 8.360 nan 0.000 0.470 289 Y N -0.231 120.036 120.300 -0.054 0.000 2.544 289 Y HA 0.476 5.025 4.550 -0.000 0.000 0.342 289 Y C -1.789 174.023 175.900 -0.147 0.000 1.062 289 Y CA -1.180 56.733 58.100 -0.311 0.000 1.023 289 Y CB 1.571 39.456 38.460 -0.957 0.000 1.308 289 Y HN -0.013 nan 8.280 nan 0.000 0.457 290 I N 4.556 124.659 120.570 -0.780 0.000 2.499 290 I HA 0.410 4.579 4.170 -0.000 0.000 0.288 290 I C -1.501 174.155 176.117 -0.767 0.000 1.048 290 I CA -0.558 60.438 61.300 -0.507 0.000 1.062 290 I CB 1.521 39.345 38.000 -0.293 0.000 1.238 290 I HN 0.767 nan 8.210 nan 0.000 0.426 291 E N 6.825 126.842 120.200 -0.304 0.000 2.044 291 E HA 0.576 4.926 4.350 -0.000 0.000 0.282 291 E C -0.610 175.938 176.600 -0.086 0.000 1.031 291 E CA -0.351 55.982 56.400 -0.112 0.000 0.824 291 E CB 1.039 30.828 29.700 0.150 0.000 1.076 291 E HN 0.670 nan 8.360 nan 0.000 0.395 292 A N 3.862 126.645 122.820 -0.061 0.000 2.332 292 A HA 0.188 4.508 4.320 -0.000 0.000 0.258 292 A C 0.761 178.337 177.584 -0.014 0.000 1.087 292 A CA -0.129 51.903 52.037 -0.008 0.000 0.802 292 A CB 0.357 19.428 19.000 0.119 0.000 1.042 292 A HN 0.969 nan 8.150 nan 0.000 0.489 293 H N 1.364 120.303 119.070 -0.219 0.000 2.352 293 H HA -0.007 4.549 4.556 -0.000 0.000 0.299 293 H C 1.557 176.775 175.328 -0.183 0.000 1.097 293 H CA 1.727 57.602 56.048 -0.289 0.000 1.311 293 H CB -0.529 28.996 29.762 -0.395 0.000 1.377 293 H HN 1.249 nan 8.280 nan 0.000 0.504 294 G N 0.513 109.266 108.800 -0.079 0.000 2.357 294 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.282 294 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.282 294 G C 0.978 175.653 174.900 -0.375 0.000 0.910 294 G CA 0.968 45.971 45.100 -0.162 0.000 1.267 294 G HN 0.768 nan 8.290 nan 0.000 0.476 295 T N -2.100 112.232 114.554 -0.369 0.000 3.100 295 T HA 0.403 4.753 4.350 -0.000 0.000 0.253 295 T C 2.024 176.641 174.700 -0.138 0.000 1.118 295 T CA 0.836 62.723 62.100 -0.355 0.000 1.058 295 T CB 0.415 69.048 68.868 -0.392 0.000 0.953 295 T HN 2.182 nan 8.240 nan 0.000 0.515 296 G N 2.186 110.913 108.800 -0.123 0.000 2.212 296 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.255 296 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.255 296 G C 0.089 174.991 174.900 0.003 0.000 1.062 296 G CA 0.175 45.237 45.100 -0.064 0.000 0.815 296 G HN 1.128 nan 8.290 nan 0.000 0.497 297 T N -3.069 111.501 114.554 0.026 0.000 2.928 297 T HA 0.644 4.994 4.350 -0.000 0.000 0.284 297 T C 1.261 175.982 174.700 0.035 0.000 1.008 297 T CA 0.104 62.228 62.100 0.041 0.000 1.057 297 T CB 2.224 71.129 68.868 0.062 0.000 1.018 297 T HN 0.192 nan 8.240 nan 0.000 0.493 298 K N 1.107 121.524 120.400 0.029 0.000 2.097 298 K HA -0.021 4.299 4.320 -0.000 0.000 0.206 298 K C 1.800 178.412 176.600 0.021 0.000 1.049 298 K CA 1.146 57.452 56.287 0.032 0.000 0.933 298 K CB -0.333 32.186 32.500 0.032 0.000 0.717 298 K HN 0.534 nan 8.250 nan 0.000 0.442 299 V N -0.588 119.322 119.914 -0.006 0.000 2.426 299 V HA -0.008 4.112 4.120 -0.000 0.000 0.242 299 V C 2.193 178.214 176.094 -0.122 0.000 1.036 299 V CA 1.783 64.041 62.300 -0.071 0.000 1.044 299 V CB -0.236 31.508 31.823 -0.132 0.000 0.688 299 V HN 0.527 nan 8.190 nan 0.000 0.462 300 G N -0.158 108.594 108.800 -0.079 0.000 2.418 300 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 300 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 300 G C 1.193 176.115 174.900 0.036 0.000 1.158 300 G CA 1.134 46.215 45.100 -0.032 0.000 0.771 300 G HN 0.475 nan 8.290 nan 0.000 0.545 301 D N 1.187 121.626 120.400 0.064 0.000 2.092 301 D HA -0.052 4.588 4.640 -0.000 0.000 0.193 301 D C 0.172 176.522 176.300 0.083 0.000 0.994 301 D CA 1.050 55.123 54.000 0.122 0.000 0.828 301 D CB -1.133 39.766 40.800 0.164 0.000 0.963 301 D HN 0.237 nan 8.370 nan 0.000 0.450 302 P HA -0.085 nan 4.420 nan 0.000 0.216 302 P C 1.517 178.817 177.300 0.001 0.000 1.153 302 P CA 1.255 64.370 63.100 0.025 0.000 0.848 302 P CB 0.079 31.795 31.700 0.027 0.000 0.787 303 Q N -0.073 119.714 119.800 -0.023 0.000 2.045 303 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 303 Q C 2.190 178.169 176.000 -0.035 0.000 0.991 303 Q CA 1.754 57.527 55.803 -0.050 0.000 0.851 303 Q CB -0.902 27.751 28.738 -0.142 0.000 0.911 303 Q HN 0.456 nan 8.270 nan 0.000 0.418 304 E N -0.155 120.053 120.200 0.013 0.000 2.028 304 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 304 E C 1.997 178.609 176.600 0.021 0.000 0.988 304 E CA 0.683 57.129 56.400 0.077 0.000 0.799 304 E CB 0.044 29.888 29.700 0.240 0.000 0.755 304 E HN 0.138 nan 8.360 nan 0.000 0.447 305 L N 1.645 122.860 121.223 -0.014 0.000 2.141 305 L HA -0.130 4.209 4.340 -0.000 0.000 0.209 305 L C 2.042 178.860 176.870 -0.086 0.000 1.094 305 L CA 1.197 55.979 54.840 -0.097 0.000 0.763 305 L CB -0.512 41.447 42.059 -0.166 0.000 0.908 305 L HN 0.166 nan 8.230 nan 0.000 0.437 306 N N -0.390 118.279 118.700 -0.053 0.000 2.270 306 N HA -0.083 4.657 4.740 -0.000 0.000 0.181 306 N C 1.894 177.371 175.510 -0.055 0.000 1.016 306 N CA 1.243 54.264 53.050 -0.048 0.000 0.870 306 N CB -0.511 37.960 38.487 -0.027 0.000 0.979 306 N HN 0.383 nan 8.380 nan 0.000 0.431 307 G N 1.214 109.980 108.800 -0.057 0.000 2.418 307 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.217 307 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.217 307 G C 1.653 176.505 174.900 -0.081 0.000 1.158 307 G CA 0.270 45.328 45.100 -0.070 0.000 0.771 307 G HN 0.247 nan 8.290 nan 0.000 0.545 308 I N 0.944 121.463 120.570 -0.085 0.000 2.226 308 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 308 I C 3.005 179.049 176.117 -0.122 0.000 1.100 308 I CA 1.465 62.693 61.300 -0.119 0.000 1.374 308 I CB -0.407 37.507 38.000 -0.144 0.000 1.057 308 I HN 0.112 nan 8.210 nan 0.000 0.413 309 T N 0.473 114.962 114.554 -0.109 0.000 2.684 309 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 309 T C 2.003 176.661 174.700 -0.069 0.000 1.036 309 T CA 1.361 63.405 62.100 -0.094 0.000 1.148 309 T CB -0.275 68.544 68.868 -0.080 0.000 0.863 309 T HN 0.324 nan 8.240 nan 0.000 0.436 310 R N 0.829 121.295 120.500 -0.057 0.000 2.092 310 R HA 0.129 4.469 4.340 -0.000 0.000 0.231 310 R C 2.814 179.099 176.300 -0.025 0.000 1.119 310 R CA 1.120 57.197 56.100 -0.038 0.000 0.970 310 R CB -0.386 29.892 30.300 -0.036 0.000 0.864 310 R HN 0.370 nan 8.270 nan 0.000 0.440 311 A N 0.732 123.530 122.820 -0.037 0.000 1.897 311 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 311 A C 1.962 179.581 177.584 0.058 0.000 1.181 311 A CA 1.058 53.102 52.037 0.012 0.000 0.620 311 A CB -0.091 18.882 19.000 -0.044 0.000 0.821 311 A HN 0.176 nan 8.150 nan 0.000 0.443 312 L N -1.907 119.280 121.223 -0.060 0.000 2.642 312 L HA 0.065 4.405 4.340 -0.000 0.000 0.233 312 L C 1.226 178.026 176.870 -0.117 0.000 1.077 312 L CA 0.052 54.807 54.840 -0.140 0.000 0.879 312 L CB 0.437 42.337 42.059 -0.265 0.000 1.151 312 L HN 0.365 nan 8.230 nan 0.000 0.495 313 C N 0.166 119.413 119.300 -0.089 0.000 2.754 313 C HA 0.351 4.811 4.460 -0.000 0.000 0.276 313 C C 2.626 177.588 174.990 -0.048 0.000 1.264 313 C CA 0.017 58.992 59.018 -0.072 0.000 1.700 313 C CB -0.821 26.872 27.740 -0.078 0.000 1.885 313 C HN 0.491 nan 8.230 nan 0.000 0.607 314 A N 1.738 124.536 122.820 -0.036 0.000 1.908 314 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 314 A C 2.160 179.732 177.584 -0.019 0.000 1.181 314 A CA 2.581 54.605 52.037 -0.021 0.000 0.627 314 A CB -0.641 18.356 19.000 -0.006 0.000 0.818 314 A HN 0.602 nan 8.150 nan 0.000 0.445 315 T N -3.714 110.826 114.554 -0.023 0.000 3.145 315 T HA 0.342 4.692 4.350 -0.000 0.000 0.281 315 T C 0.413 175.101 174.700 -0.021 0.000 1.003 315 T CA -0.518 61.571 62.100 -0.018 0.000 0.901 315 T CB -0.129 68.731 68.868 -0.012 0.000 1.112 315 T HN 0.311 nan 8.240 nan 0.000 0.535 316 R N 1.439 121.923 120.500 -0.028 0.000 2.491 316 R HA 0.286 4.626 4.340 -0.000 0.000 0.283 316 R C 0.996 177.286 176.300 -0.017 0.000 1.072 316 R CA -0.399 55.687 56.100 -0.024 0.000 1.048 316 R CB 0.672 30.951 30.300 -0.033 0.000 0.983 316 R HN 0.183 nan 8.270 nan 0.000 0.450 317 Q N 1.328 121.122 119.800 -0.009 0.000 2.297 317 Q HA 0.015 4.355 4.340 -0.000 0.000 0.203 317 Q C -0.122 175.876 176.000 -0.004 0.000 0.931 317 Q CA 1.185 56.984 55.803 -0.005 0.000 0.885 317 Q CB 0.516 29.253 28.738 -0.001 0.000 0.991 317 Q HN 0.586 nan 8.270 nan 0.000 0.498 318 E N 1.733 121.932 120.200 -0.002 0.000 2.222 318 E HA 0.386 4.736 4.350 -0.000 0.000 0.272 318 E C -2.298 174.296 176.600 -0.010 0.000 0.982 318 E CA -2.214 54.187 56.400 0.001 0.000 0.842 318 E CB 0.778 30.485 29.700 0.013 0.000 1.144 318 E HN -0.045 nan 8.360 nan 0.000 0.397 319 P HA 0.094 nan 4.420 nan 0.000 0.272 319 P C -0.526 176.749 177.300 -0.042 0.000 1.230 319 P CA -0.501 62.580 63.100 -0.033 0.000 0.788 319 P CB 0.515 32.199 31.700 -0.028 0.000 0.949 320 L N 2.532 123.707 121.223 -0.080 0.000 2.282 320 L HA 0.334 4.673 4.340 -0.000 0.000 0.288 320 L C -0.542 176.233 176.870 -0.159 0.000 1.033 320 L CA -0.575 54.204 54.840 -0.102 0.000 0.807 320 L CB 0.350 42.329 42.059 -0.134 0.000 1.209 320 L HN 0.184 nan 8.230 nan 0.000 0.423 321 L N 6.020 127.148 121.223 -0.159 0.000 2.426 321 L HA 0.388 4.728 4.340 -0.000 0.000 0.271 321 L C -0.102 176.489 176.870 -0.466 0.000 1.169 321 L CA 0.083 54.791 54.840 -0.220 0.000 0.836 321 L CB 0.976 42.956 42.059 -0.132 0.000 1.112 321 L HN 0.655 nan 8.230 nan 0.000 0.465 322 I N 1.005 121.289 120.570 -0.476 0.000 2.656 322 I HA 0.738 4.908 4.170 -0.000 0.000 0.292 322 I C -0.422 175.481 176.117 -0.357 0.000 1.144 322 I CA -0.131 60.787 61.300 -0.635 0.000 1.038 322 I CB 2.094 39.725 38.000 -0.616 0.000 1.244 322 I HN 0.642 nan 8.210 nan 0.000 0.420 323 G N 3.037 111.673 108.800 -0.273 0.000 2.708 323 G HA2 0.627 4.587 3.960 -0.000 0.000 0.289 323 G HA3 0.627 4.587 3.960 -0.000 0.000 0.289 323 G C -1.916 173.099 174.900 0.192 0.000 1.416 323 G CA -0.562 44.628 45.100 0.150 0.000 0.829 323 G HN 0.550 nan 8.290 nan 0.000 0.480 324 S N -1.334 114.416 115.700 0.085 0.000 2.720 324 S HA 0.459 4.929 4.470 -0.000 0.000 0.278 324 S C 0.850 175.424 174.600 -0.043 0.000 1.172 324 S CA -0.004 58.170 58.200 -0.044 0.000 1.019 324 S CB 1.365 64.376 63.200 -0.317 0.000 1.049 324 S HN 0.558 nan 8.310 nan 0.000 0.483 325 T N 4.510 119.073 114.554 0.015 0.000 2.962 325 T HA -0.039 4.311 4.350 -0.000 0.000 0.270 325 T C 1.511 176.224 174.700 0.021 0.000 1.088 325 T CA 1.047 63.180 62.100 0.054 0.000 1.127 325 T CB -0.125 68.828 68.868 0.142 0.000 0.883 325 T HN 0.646 nan 8.240 nan 0.000 0.493 326 K N 1.701 122.063 120.400 -0.063 0.000 2.283 326 K HA -0.040 4.280 4.320 -0.000 0.000 0.202 326 K C 2.627 179.200 176.600 -0.044 0.000 1.048 326 K CA 1.344 57.584 56.287 -0.079 0.000 0.948 326 K CB -0.152 32.220 32.500 -0.215 0.000 0.742 326 K HN 0.449 nan 8.250 nan 0.000 0.458 327 S N 0.786 116.445 115.700 -0.069 0.000 2.453 327 S HA -0.080 4.389 4.470 -0.000 0.000 0.231 327 S C 1.407 176.048 174.600 0.068 0.000 1.005 327 S CA 1.138 59.342 58.200 0.006 0.000 0.949 327 S CB -0.202 62.955 63.200 -0.073 0.000 0.774 327 S HN 0.297 nan 8.310 nan 0.000 0.510 328 N N 1.666 120.377 118.700 0.018 0.000 2.336 328 N HA 0.235 4.975 4.740 -0.000 0.000 0.177 328 N C 1.531 177.085 175.510 0.073 0.000 1.018 328 N CA 1.251 54.309 53.050 0.013 0.000 0.878 328 N CB -0.133 38.333 38.487 -0.035 0.000 0.997 328 N HN 0.725 nan 8.380 nan 0.000 0.433 329 M N -2.619 117.044 119.600 0.105 0.000 2.327 329 M HA 0.514 4.994 4.480 -0.000 0.000 0.365 329 M C 0.429 176.784 176.300 0.092 0.000 0.992 329 M CA -0.443 54.932 55.300 0.125 0.000 0.985 329 M CB 1.253 33.981 32.600 0.213 0.000 1.673 329 M HN -0.031 nan 8.290 nan 0.000 0.586 330 G N 1.441 110.287 108.800 0.077 0.000 2.728 330 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.294 330 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.294 330 G C -1.442 173.517 174.900 0.097 0.000 1.342 330 G CA -0.360 44.789 45.100 0.082 0.000 0.866 330 G HN 0.743 nan 8.290 nan 0.000 0.534 331 H N 1.995 121.046 119.070 -0.031 0.000 2.623 331 H HA 0.578 5.133 4.556 -0.000 0.000 0.299 331 H C -1.603 173.657 175.328 -0.113 0.000 1.052 331 H CA -2.221 53.740 56.048 -0.145 0.000 1.231 331 H CB 1.640 31.184 29.762 -0.364 0.000 1.389 331 H HN 0.273 nan 8.280 nan 0.000 0.469 332 P HA 0.051 nan 4.420 nan 0.000 0.253 332 P C -0.034 177.195 177.300 -0.118 0.000 1.459 332 P CA 0.180 63.264 63.100 -0.028 0.000 0.908 332 P CB 0.388 32.094 31.700 0.011 0.000 1.470 333 E N 0.029 119.969 120.200 -0.433 0.000 3.296 333 E HA -0.237 4.113 4.350 -0.000 0.000 0.422 333 E C -1.333 175.243 176.600 -0.040 0.000 1.557 333 E CA 1.596 57.727 56.400 -0.448 0.000 1.302 333 E CB -2.759 26.732 29.700 -0.349 0.000 1.497 333 E HN 0.269 nan 8.360 nan 0.000 0.467 334 P HA -0.121 nan 4.420 nan 0.000 0.222 334 P C 0.771 178.103 177.300 0.053 0.000 1.147 334 P CA 2.259 65.391 63.100 0.052 0.000 0.790 334 P CB -0.038 31.694 31.700 0.054 0.000 0.780 335 A N 0.470 123.311 122.820 0.036 0.000 2.238 335 A HA 0.028 4.348 4.320 -0.000 0.000 0.208 335 A C 2.316 179.928 177.584 0.047 0.000 1.177 335 A CA 0.917 52.973 52.037 0.032 0.000 0.804 335 A CB -1.132 17.873 19.000 0.008 0.000 0.823 335 A HN 0.343 nan 8.150 nan 0.000 0.482 336 S N -0.112 115.642 115.700 0.090 0.000 2.370 336 S HA -0.097 4.373 4.470 -0.000 0.000 0.226 336 S C 2.018 176.656 174.600 0.064 0.000 1.033 336 S CA 1.569 59.836 58.200 0.112 0.000 1.011 336 S CB -1.085 62.252 63.200 0.229 0.000 0.852 336 S HN 0.608 nan 8.310 nan 0.000 0.457 337 G N 1.909 110.743 108.800 0.057 0.000 2.421 337 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.216 337 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.216 337 G C 1.512 176.427 174.900 0.026 0.000 1.171 337 G CA 0.991 46.107 45.100 0.026 0.000 0.775 337 G HN 0.513 nan 8.290 nan 0.000 0.543 338 L N 0.508 121.747 121.223 0.027 0.000 2.156 338 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 338 L C 3.398 180.282 176.870 0.023 0.000 1.095 338 L CA 0.802 55.655 54.840 0.022 0.000 0.770 338 L CB -0.455 41.616 42.059 0.020 0.000 0.914 338 L HN 0.323 nan 8.230 nan 0.000 0.439 339 A N 0.417 123.247 122.820 0.016 0.000 1.902 339 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 339 A C 2.547 180.209 177.584 0.130 0.000 1.181 339 A CA 1.795 53.841 52.037 0.014 0.000 0.623 339 A CB -0.602 18.392 19.000 -0.011 0.000 0.818 339 A HN 0.391 nan 8.150 nan 0.000 0.443 340 A N -0.604 122.281 122.820 0.108 0.000 1.898 340 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 340 A C 2.127 179.794 177.584 0.137 0.000 1.181 340 A CA 1.670 53.785 52.037 0.129 0.000 0.620 340 A CB -0.606 18.436 19.000 0.070 0.000 0.819 340 A HN 0.702 nan 8.150 nan 0.000 0.442 341 L N -0.148 121.129 121.223 0.090 0.000 2.046 341 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 341 L C 2.644 179.560 176.870 0.076 0.000 1.077 341 L CA 2.222 57.105 54.840 0.070 0.000 0.747 341 L CB -0.749 41.327 42.059 0.028 0.000 0.896 341 L HN 0.339 nan 8.230 nan 0.000 0.432 342 A N -0.424 122.456 122.820 0.100 0.000 1.902 342 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 342 A C 2.424 180.151 177.584 0.239 0.000 1.181 342 A CA 1.926 54.041 52.037 0.130 0.000 0.623 342 A CB -0.724 18.373 19.000 0.160 0.000 0.818 342 A HN 0.460 nan 8.150 nan 0.000 0.443 343 K N 0.259 120.866 120.400 0.344 0.000 2.063 343 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 343 K C 1.910 178.636 176.600 0.209 0.000 1.048 343 K CA 1.949 58.400 56.287 0.275 0.000 0.928 343 K CB -0.676 31.966 32.500 0.237 0.000 0.713 343 K HN 0.256 nan 8.250 nan 0.000 0.442 344 V N 2.100 122.133 119.914 0.199 0.000 2.255 344 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 344 V C 2.584 178.732 176.094 0.089 0.000 1.051 344 V CA 1.777 64.204 62.300 0.211 0.000 1.018 344 V CB -0.382 31.582 31.823 0.235 0.000 0.641 344 V HN 0.276 nan 8.190 nan 0.000 0.445 345 L N -0.943 120.286 121.223 0.011 0.000 2.141 345 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 345 L C 2.357 179.135 176.870 -0.154 0.000 1.094 345 L CA 1.275 56.054 54.840 -0.102 0.000 0.763 345 L CB -0.512 41.378 42.059 -0.283 0.000 0.908 345 L HN 0.306 nan 8.230 nan 0.000 0.437 346 L N -1.113 120.037 121.223 -0.121 0.000 2.109 346 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 346 L C 2.696 179.296 176.870 -0.451 0.000 1.086 346 L CA 0.782 55.490 54.840 -0.220 0.000 0.760 346 L CB -0.362 41.671 42.059 -0.042 0.000 0.910 346 L HN 0.164 nan 8.230 nan 0.000 0.437 347 S N 0.174 115.735 115.700 -0.232 0.000 2.356 347 S HA -0.122 4.348 4.470 -0.000 0.000 0.223 347 S C 1.964 176.279 174.600 -0.476 0.000 1.032 347 S CA 1.193 59.233 58.200 -0.267 0.000 1.005 347 S CB -0.295 62.855 63.200 -0.083 0.000 0.867 347 S HN 0.279 nan 8.310 nan 0.000 0.449 348 L N 1.389 122.355 121.223 -0.428 0.000 2.046 348 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 348 L C 2.631 179.320 176.870 -0.302 0.000 1.077 348 L CA 1.032 55.636 54.840 -0.393 0.000 0.747 348 L CB -0.557 41.372 42.059 -0.218 0.000 0.896 348 L HN 0.200 nan 8.230 nan 0.000 0.432 349 E N -0.277 119.756 120.200 -0.278 0.000 2.153 349 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 349 E C 1.865 178.157 176.600 -0.512 0.000 0.988 349 E CA 1.329 57.529 56.400 -0.334 0.000 0.811 349 E CB -0.180 29.330 29.700 -0.316 0.000 0.746 349 E HN 0.640 nan 8.360 nan 0.000 0.466 350 H N -1.248 117.538 119.070 -0.474 0.000 2.553 350 H HA 0.217 4.773 4.556 -0.000 0.000 0.265 350 H C 1.261 176.439 175.328 -0.250 0.000 0.964 350 H CA 0.627 56.439 56.048 -0.394 0.000 1.156 350 H CB 0.657 30.074 29.762 -0.574 0.000 1.411 350 H HN 0.278 nan 8.280 nan 0.000 0.558 351 G N 0.516 109.184 108.800 -0.219 0.000 2.155 351 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 351 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 351 G C -0.130 174.634 174.900 -0.227 0.000 0.983 351 G CA 0.356 45.321 45.100 -0.225 0.000 0.676 351 G HN 0.306 nan 8.290 nan 0.000 0.528 352 L N -1.073 120.031 121.223 -0.198 0.000 2.410 352 L HA 0.550 4.890 4.340 -0.000 0.000 0.270 352 L C -0.142 176.655 176.870 -0.121 0.000 0.983 352 L CA -1.207 53.577 54.840 -0.095 0.000 0.822 352 L CB 1.382 43.523 42.059 0.136 0.000 1.285 352 L HN 0.170 nan 8.230 nan 0.000 0.409 353 W N 2.533 123.857 121.300 0.040 0.000 2.356 353 W HA 0.503 5.163 4.660 -0.000 0.000 0.311 353 W C 0.631 177.159 176.519 0.015 0.000 1.328 353 W CA -0.302 57.023 57.345 -0.035 0.000 1.251 353 W CB 0.913 30.304 29.460 -0.114 0.000 1.280 353 W HN 0.510 nan 8.180 nan 0.000 0.524 354 A N 6.915 129.896 122.820 0.269 0.000 2.462 354 A HA 0.430 4.750 4.320 -0.000 0.000 0.243 354 A C -1.942 175.680 177.584 0.064 0.000 1.076 354 A CA -1.022 51.043 52.037 0.046 0.000 0.773 354 A CB -0.178 18.769 19.000 -0.089 0.000 1.010 354 A HN 0.413 nan 8.150 nan 0.000 0.493 355 P HA 0.328 nan 4.420 nan 0.000 0.286 355 P C -0.833 176.453 177.300 -0.023 0.000 1.292 355 P CA -0.900 62.213 63.100 0.022 0.000 0.842 355 P CB 0.871 32.580 31.700 0.015 0.000 1.207 356 N N -0.701 117.994 118.700 -0.008 0.000 2.444 356 N HA 0.295 5.035 4.740 -0.000 0.000 0.255 356 N C -0.042 175.411 175.510 -0.094 0.000 1.255 356 N CA -0.081 52.939 53.050 -0.050 0.000 0.933 356 N CB -0.069 38.388 38.487 -0.050 0.000 1.143 356 N HN 0.318 nan 8.380 nan 0.000 0.453 357 L N 0.941 122.068 121.223 -0.160 0.000 2.331 357 L HA 0.366 4.705 4.340 -0.000 0.000 0.268 357 L C 0.238 176.931 176.870 -0.296 0.000 1.015 357 L CA -0.818 53.812 54.840 -0.350 0.000 0.807 357 L CB 0.822 42.519 42.059 -0.602 0.000 1.293 357 L HN 0.711 nan 8.230 nan 0.000 0.451 358 H N -0.595 118.409 119.070 -0.110 0.000 2.958 358 H HA -0.227 4.329 4.556 -0.000 0.000 0.274 358 H C -0.596 174.575 175.328 -0.261 0.000 1.184 358 H CA 0.560 56.505 56.048 -0.172 0.000 1.143 358 H CB -1.854 27.874 29.762 -0.057 0.000 1.297 358 H HN 0.315 nan 8.280 nan 0.000 0.356 359 F N 2.104 121.800 119.950 -0.424 0.000 2.332 359 F HA 0.351 4.878 4.527 -0.000 0.000 0.368 359 F C 0.815 176.358 175.800 -0.429 0.000 1.110 359 F CA -0.632 57.195 58.000 -0.289 0.000 1.087 359 F CB 0.448 39.387 39.000 -0.101 0.000 1.235 359 F HN 0.027 nan 8.300 nan 0.000 0.470 360 H N 1.898 120.668 119.070 -0.500 0.000 2.258 360 H HA 0.221 4.777 4.556 -0.000 0.000 0.250 360 H C 0.252 175.262 175.328 -0.530 0.000 0.908 360 H CA 0.734 56.536 56.048 -0.410 0.000 1.096 360 H CB 0.375 30.035 29.762 -0.171 0.000 1.422 360 H HN 0.404 nan 8.280 nan 0.000 0.469 361 S N 2.931 118.416 115.700 -0.360 0.000 2.519 361 S HA 0.429 4.899 4.470 -0.000 0.000 0.309 361 S C -3.074 171.387 174.600 -0.231 0.000 1.100 361 S CA -1.650 56.387 58.200 -0.271 0.000 1.059 361 S CB 2.970 66.114 63.200 -0.092 0.000 1.008 361 S HN -0.137 nan 8.310 nan 0.000 0.478 362 P HA 0.045 nan 4.420 nan 0.000 0.265 362 P C -0.344 177.038 177.300 0.138 0.000 1.193 362 P CA -0.164 63.040 63.100 0.174 0.000 0.765 362 P CB 0.306 32.121 31.700 0.192 0.000 0.823 363 N N 4.976 123.794 118.700 0.197 0.000 2.411 363 N HA -0.035 4.705 4.740 -0.000 0.000 0.265 363 N C -1.156 174.406 175.510 0.087 0.000 1.266 363 N CA -1.049 52.078 53.050 0.128 0.000 0.889 363 N CB 0.465 39.039 38.487 0.145 0.000 1.069 363 N HN 0.270 nan 8.380 nan 0.000 0.476 364 P HA -0.066 nan 4.420 nan 0.000 0.230 364 P C 0.106 177.429 177.300 0.038 0.000 1.158 364 P CA 1.082 64.208 63.100 0.043 0.000 0.769 364 P CB 0.281 32.000 31.700 0.032 0.000 0.807 365 E N -0.239 119.987 120.200 0.043 0.000 2.502 365 E HA 0.098 4.448 4.350 -0.000 0.000 0.194 365 E C 0.483 177.100 176.600 0.028 0.000 1.062 365 E CA 0.138 56.559 56.400 0.035 0.000 0.867 365 E CB -0.105 29.619 29.700 0.040 0.000 0.888 365 E HN 0.398 nan 8.360 nan 0.000 0.510 366 I N 1.348 121.936 120.570 0.030 0.000 2.464 366 I HA 0.151 4.321 4.170 -0.000 0.000 0.277 366 I C -2.019 174.101 176.117 0.005 0.000 1.040 366 I CA -2.106 59.201 61.300 0.011 0.000 1.153 366 I CB 1.567 39.573 38.000 0.010 0.000 1.274 366 I HN -0.216 nan 8.210 nan 0.000 0.469 367 P HA -0.166 nan 4.420 nan 0.000 0.215 367 P C 1.604 178.895 177.300 -0.014 0.000 1.153 367 P CA 1.043 64.140 63.100 -0.005 0.000 0.853 367 P CB 0.335 32.030 31.700 -0.008 0.000 0.788 368 A N -0.792 122.007 122.820 -0.035 0.000 2.070 368 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 368 A C 2.160 179.714 177.584 -0.049 0.000 1.159 368 A CA 1.244 53.249 52.037 -0.052 0.000 0.656 368 A CB -1.544 17.404 19.000 -0.085 0.000 0.800 368 A HN 0.144 nan 8.150 nan 0.000 0.453 369 L N -1.478 119.726 121.223 -0.032 0.000 2.109 369 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 369 L C 2.459 179.354 176.870 0.042 0.000 1.086 369 L CA 0.744 55.588 54.840 0.006 0.000 0.760 369 L CB -0.396 41.700 42.059 0.061 0.000 0.910 369 L HN 0.428 nan 8.230 nan 0.000 0.437 370 L N 0.789 122.032 121.223 0.033 0.000 2.109 370 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 370 L C 1.791 178.672 176.870 0.018 0.000 1.086 370 L CA 1.998 56.857 54.840 0.031 0.000 0.760 370 L CB -0.497 41.577 42.059 0.025 0.000 0.910 370 L HN 0.431 nan 8.230 nan 0.000 0.437 371 D N -1.891 118.512 120.400 0.006 0.000 2.339 371 D HA 0.180 4.820 4.640 -0.000 0.000 0.217 371 D C 1.520 177.817 176.300 -0.005 0.000 1.050 371 D CA 0.626 54.626 54.000 -0.000 0.000 0.856 371 D CB -0.064 40.733 40.800 -0.005 0.000 0.922 371 D HN 0.340 nan 8.370 nan 0.000 0.518 372 G N 0.542 109.338 108.800 -0.007 0.000 2.159 372 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.256 372 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.256 372 G C 1.245 176.126 174.900 -0.031 0.000 0.977 372 G CA 0.322 45.414 45.100 -0.013 0.000 0.652 372 G HN 0.400 nan 8.290 nan 0.000 0.531 373 R N -0.819 119.656 120.500 -0.042 0.000 2.090 373 R HA 0.245 4.585 4.340 -0.000 0.000 0.228 373 R C 1.064 177.311 176.300 -0.087 0.000 1.110 373 R CA 0.810 56.876 56.100 -0.056 0.000 0.973 373 R CB -0.019 30.248 30.300 -0.056 0.000 0.869 373 R HN 0.429 nan 8.270 nan 0.000 0.440 374 L N 0.915 122.072 121.223 -0.110 0.000 2.329 374 L HA 0.344 4.684 4.340 -0.000 0.000 0.279 374 L C -0.461 176.318 176.870 -0.153 0.000 1.014 374 L CA -0.530 54.208 54.840 -0.169 0.000 0.814 374 L CB 1.852 43.769 42.059 -0.238 0.000 1.257 374 L HN 0.047 nan 8.230 nan 0.000 0.424 375 Q N 2.716 122.417 119.800 -0.165 0.000 2.339 375 Q HA 0.380 4.720 4.340 -0.000 0.000 0.268 375 Q C -1.335 174.555 176.000 -0.184 0.000 1.027 375 Q CA -0.643 55.085 55.803 -0.125 0.000 0.759 375 Q CB 2.239 30.940 28.738 -0.060 0.000 1.244 375 Q HN 0.451 nan 8.270 nan 0.000 0.464 376 V N 3.957 123.732 119.914 -0.231 0.000 2.585 376 V HA 0.042 4.162 4.120 -0.000 0.000 0.296 376 V C 0.197 176.223 176.094 -0.113 0.000 1.035 376 V CA -0.172 61.950 62.300 -0.297 0.000 1.084 376 V CB 1.257 32.645 31.823 -0.725 0.000 0.953 376 V HN 0.579 nan 8.190 nan 0.000 0.483 377 V N 5.811 125.702 119.914 -0.039 0.000 2.352 377 V HA 0.140 4.260 4.120 -0.000 0.000 0.253 377 V C 0.702 176.828 176.094 0.054 0.000 1.083 377 V CA -0.014 62.318 62.300 0.053 0.000 0.993 377 V CB 0.351 32.260 31.823 0.143 0.000 1.111 377 V HN 1.107 nan 8.190 nan 0.000 0.490 378 D N 2.230 122.671 120.400 0.068 0.000 2.431 378 D HA 0.109 4.749 4.640 -0.000 0.000 0.213 378 D C 0.441 176.779 176.300 0.063 0.000 1.130 378 D CA -0.020 54.029 54.000 0.083 0.000 0.834 378 D CB 0.625 41.536 40.800 0.184 0.000 0.985 378 D HN 0.508 nan 8.370 nan 0.000 0.504 379 Q N 0.198 120.037 119.800 0.065 0.000 2.416 379 Q HA 0.401 4.741 4.340 -0.000 0.000 0.281 379 Q C -2.943 173.097 176.000 0.066 0.000 1.067 379 Q CA -2.270 53.563 55.803 0.051 0.000 0.809 379 Q CB 2.887 31.660 28.738 0.058 0.000 1.418 379 Q HN -0.154 nan 8.270 nan 0.000 0.411 380 P HA 0.158 nan 4.420 nan 0.000 0.271 380 P C -1.121 176.241 177.300 0.102 0.000 1.226 380 P CA 0.351 63.492 63.100 0.068 0.000 0.765 380 P CB 0.348 32.060 31.700 0.020 0.000 0.835 381 L N 5.948 127.274 121.223 0.171 0.000 2.365 381 L HA 0.516 4.856 4.340 -0.000 0.000 0.273 381 L C -2.138 174.826 176.870 0.156 0.000 1.000 381 L CA -2.684 52.269 54.840 0.188 0.000 0.819 381 L CB 2.309 44.527 42.059 0.265 0.000 1.284 381 L HN 0.191 nan 8.230 nan 0.000 0.418 382 P HA 0.023 nan 4.420 nan 0.000 0.269 382 P C -0.479 176.823 177.300 0.002 0.000 1.209 382 P CA -0.190 62.919 63.100 0.015 0.000 0.776 382 P CB 1.047 32.761 31.700 0.024 0.000 0.876 383 V N 5.395 125.189 119.914 -0.201 0.000 2.470 383 V HA 0.064 4.184 4.120 -0.000 0.000 0.276 383 V C 1.919 177.999 176.094 -0.023 0.000 1.040 383 V CA 0.245 62.394 62.300 -0.251 0.000 1.008 383 V CB 0.264 31.749 31.823 -0.563 0.000 0.990 383 V HN 0.549 nan 8.190 nan 0.000 0.477 384 R N 3.080 123.649 120.500 0.115 0.000 2.237 384 R HA 0.354 4.694 4.340 -0.000 0.000 0.195 384 R C 0.812 177.152 176.300 0.067 0.000 0.956 384 R CA 0.764 56.914 56.100 0.083 0.000 1.029 384 R CB 0.772 31.137 30.300 0.108 0.000 0.972 384 R HN 0.940 nan 8.270 nan 0.000 0.493 385 G N -0.416 108.443 108.800 0.098 0.000 2.535 385 G HA2 0.328 4.288 3.960 -0.000 0.000 0.662 385 G HA3 0.328 4.288 3.960 -0.000 0.000 0.662 385 G C -0.468 174.487 174.900 0.091 0.000 1.417 385 G CA -0.503 44.638 45.100 0.068 0.000 0.866 385 G HN 0.470 nan 8.290 nan 0.000 0.647 386 G N 0.714 109.552 108.800 0.063 0.000 2.340 386 G HA2 0.424 4.384 3.960 -0.000 0.000 0.527 386 G HA3 0.424 4.384 3.960 -0.000 0.000 0.527 386 G C -0.589 174.318 174.900 0.012 0.000 1.381 386 G CA -0.183 44.935 45.100 0.030 0.000 1.001 386 G HN 1.192 nan 8.290 nan 0.000 0.626 387 N N -1.341 117.277 118.700 -0.136 0.000 2.399 387 N HA 0.534 5.274 4.740 -0.000 0.000 0.250 387 N C -0.013 175.473 175.510 -0.041 0.000 1.272 387 N CA -0.002 52.905 53.050 -0.238 0.000 0.928 387 N CB 1.549 39.627 38.487 -0.682 0.000 1.158 387 N HN 0.576 nan 8.380 nan 0.000 0.463 388 V N -0.500 119.459 119.914 0.073 0.000 2.656 388 V HA 0.688 4.808 4.120 -0.000 0.000 0.307 388 V C 0.536 176.825 176.094 0.325 0.000 1.051 388 V CA -0.914 61.558 62.300 0.287 0.000 0.893 388 V CB 1.830 33.836 31.823 0.305 0.000 0.999 388 V HN 0.755 nan 8.190 nan 0.000 0.426 389 G N 3.465 112.489 108.800 0.373 0.000 2.453 389 G HA2 0.832 4.791 3.960 -0.000 0.000 0.323 389 G HA3 0.832 4.791 3.960 -0.000 0.000 0.323 389 G C -1.187 173.742 174.900 0.049 0.000 1.198 389 G CA -0.594 44.638 45.100 0.221 0.000 0.959 389 G HN 0.582 nan 8.290 nan 0.000 0.482 390 I N 1.391 121.887 120.570 -0.124 0.000 2.569 390 I HA 0.293 4.463 4.170 -0.000 0.000 0.290 390 I C -1.206 174.847 176.117 -0.106 0.000 1.088 390 I CA -1.059 60.194 61.300 -0.079 0.000 1.047 390 I CB 2.453 40.419 38.000 -0.057 0.000 1.237 390 I HN 0.259 nan 8.210 nan 0.000 0.421 391 N N 3.167 121.803 118.700 -0.105 0.000 2.361 391 N HA 0.509 5.249 4.740 -0.000 0.000 0.302 391 N C -1.062 174.142 175.510 -0.510 0.000 1.074 391 N CA -0.438 52.422 53.050 -0.316 0.000 0.850 391 N CB 2.282 40.450 38.487 -0.531 0.000 1.228 391 N HN 0.466 nan 8.380 nan 0.000 0.491 392 S N 1.575 116.879 115.700 -0.660 0.000 2.720 392 S HA 0.602 5.072 4.470 -0.000 0.000 0.278 392 S C -1.853 172.394 174.600 -0.588 0.000 1.172 392 S CA -0.564 57.327 58.200 -0.515 0.000 1.019 392 S CB -0.149 62.956 63.200 -0.158 0.000 1.049 392 S HN 0.274 nan 8.310 nan 0.000 0.483 393 F N 2.384 121.848 119.950 -0.810 0.000 2.467 393 F HA 0.635 5.162 4.527 -0.000 0.000 0.336 393 F C 0.952 176.501 175.800 -0.418 0.000 1.123 393 F CA -1.217 56.455 58.000 -0.548 0.000 0.964 393 F CB 1.459 40.184 39.000 -0.459 0.000 1.136 393 F HN 0.584 nan 8.300 nan 0.000 0.447 394 G N 1.512 110.325 108.800 0.020 0.000 2.476 394 G HA2 0.313 4.273 3.960 -0.000 0.000 0.269 394 G HA3 0.313 4.273 3.960 -0.000 0.000 0.269 394 G C 0.467 175.421 174.900 0.089 0.000 1.195 394 G CA -0.582 44.540 45.100 0.036 0.000 0.843 394 G HN 0.691 nan 8.290 nan 0.000 0.545 395 F N 0.061 120.088 119.950 0.130 0.000 2.546 395 F HA 0.159 4.686 4.527 0.000 0.000 0.298 395 F C 1.789 177.654 175.800 0.108 0.000 1.120 395 F CA 0.486 58.570 58.000 0.140 0.000 1.456 395 F CB 0.016 39.136 39.000 0.200 0.000 1.088 395 F HN 0.357 nan 8.300 nan 0.000 0.572 396 G N -0.447 108.181 108.800 -0.287 0.000 3.042 396 G HA2 0.350 4.310 3.960 -0.000 0.000 0.212 396 G HA3 0.350 4.310 3.960 -0.000 0.000 0.212 396 G C 1.349 176.220 174.900 -0.050 0.000 1.166 396 G CA 0.138 45.137 45.100 -0.168 0.000 0.767 396 G HN 1.028 nan 8.290 nan 0.000 0.546 397 G N -0.734 108.051 108.800 -0.025 0.000 2.179 397 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 397 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 397 G C 0.341 175.221 174.900 -0.033 0.000 0.990 397 G CA 0.116 45.203 45.100 -0.022 0.000 0.646 397 G HN 0.505 nan 8.290 nan 0.000 0.517 398 S N 1.824 117.507 115.700 -0.028 0.000 2.448 398 S HA 0.505 4.975 4.470 -0.000 0.000 0.279 398 S C 0.129 174.751 174.600 0.037 0.000 1.195 398 S CA -0.500 57.696 58.200 -0.006 0.000 1.051 398 S CB 0.524 63.717 63.200 -0.012 0.000 0.948 398 S HN 0.432 nan 8.310 nan 0.000 0.493 399 N N 2.236 120.967 118.700 0.053 0.000 2.405 399 N HA 0.546 5.286 4.740 -0.000 0.000 0.299 399 N C -0.957 174.656 175.510 0.172 0.000 1.075 399 N CA -0.446 52.715 53.050 0.185 0.000 0.884 399 N CB 1.805 40.315 38.487 0.039 0.000 1.194 399 N HN 0.225 nan 8.380 nan 0.000 0.491 400 V N 1.021 121.064 119.914 0.215 0.000 2.789 400 V HA 0.393 4.513 4.120 -0.000 0.000 0.311 400 V C -0.932 175.257 176.094 0.159 0.000 1.073 400 V CA -0.675 61.696 62.300 0.118 0.000 0.921 400 V CB 1.994 33.834 31.823 0.027 0.000 1.009 400 V HN 0.807 nan 8.190 nan 0.000 0.426 401 H N 3.492 122.574 119.070 0.021 0.000 2.865 401 H HA 0.792 5.348 4.556 -0.000 0.000 0.362 401 H C -1.132 174.178 175.328 -0.030 0.000 1.114 401 H CA -0.533 55.518 56.048 0.005 0.000 1.208 401 H CB 1.810 31.602 29.762 0.051 0.000 1.727 401 H HN 0.816 nan 8.280 nan 0.000 0.534 402 I N 2.660 122.873 120.570 -0.596 0.000 2.730 402 I HA 0.591 4.761 4.170 -0.000 0.000 0.298 402 I C -1.456 174.389 176.117 -0.452 0.000 1.089 402 I CA -1.096 59.951 61.300 -0.422 0.000 1.041 402 I CB 2.416 40.258 38.000 -0.263 0.000 1.235 402 I HN 0.509 nan 8.210 nan 0.000 0.423 403 I N 5.730 126.169 120.570 -0.218 0.000 2.406 403 I HA 0.458 4.628 4.170 -0.000 0.000 0.290 403 I C -0.708 175.366 176.117 -0.072 0.000 0.999 403 I CA -0.603 60.673 61.300 -0.040 0.000 1.124 403 I CB 1.917 39.974 38.000 0.094 0.000 1.289 403 I HN 0.438 nan 8.210 nan 0.000 0.441 404 L N 5.947 127.153 121.223 -0.028 0.000 2.334 404 L HA 0.598 4.938 4.340 -0.000 0.000 0.276 404 L C -0.075 176.779 176.870 -0.027 0.000 1.014 404 L CA -0.758 54.071 54.840 -0.019 0.000 0.815 404 L CB 1.979 44.054 42.059 0.028 0.000 1.268 404 L HN 0.552 nan 8.230 nan 0.000 0.428 405 R N 3.360 123.848 120.500 -0.019 0.000 2.275 405 R HA 0.422 4.762 4.340 -0.000 0.000 0.326 405 R C -2.581 173.724 176.300 0.009 0.000 0.973 405 R CA -1.566 54.522 56.100 -0.021 0.000 0.854 405 R CB 1.305 31.590 30.300 -0.025 0.000 1.156 405 R HN 0.244 nan 8.270 nan 0.000 0.487 406 P HA -0.042 nan 4.420 nan 0.000 0.267 406 P C -1.053 176.251 177.300 0.006 0.000 1.200 406 P CA -0.163 62.951 63.100 0.023 0.000 0.772 406 P CB 0.539 32.249 31.700 0.017 0.000 0.855 407 N N 1.299 120.003 118.700 0.006 0.000 2.430 407 N HA 0.099 4.839 4.740 -0.000 0.000 0.265 407 N C 0.308 175.800 175.510 -0.029 0.000 1.100 407 N CA 0.092 53.136 53.050 -0.010 0.000 0.961 407 N CB -0.022 38.454 38.487 -0.017 0.000 1.075 407 N HN 0.318 nan 8.380 nan 0.000 0.478 408 T N 0.068 114.604 114.554 -0.030 0.000 3.174 408 T HA 0.114 4.464 4.350 -0.000 0.000 0.269 408 T C 0.489 175.164 174.700 -0.041 0.000 1.017 408 T CA -0.494 61.582 62.100 -0.040 0.000 0.899 408 T CB -0.283 68.566 68.868 -0.033 0.000 1.077 408 T HN 0.508 nan 8.240 nan 0.000 0.552 409 Q N 4.172 123.948 119.800 -0.039 0.000 2.339 409 Q HA 0.123 4.463 4.340 -0.000 0.000 0.308 409 Q C -2.229 173.741 176.000 -0.050 0.000 1.097 409 Q CA -0.933 54.846 55.803 -0.039 0.000 1.007 409 Q CB 0.377 29.094 28.738 -0.035 0.000 1.051 409 Q HN 0.283 nan 8.270 nan 0.000 0.381 410 P HA 0.256 nan 4.420 nan 0.000 0.276 410 P C -2.543 174.725 177.300 -0.054 0.000 1.252 410 P CA -1.507 61.564 63.100 -0.049 0.000 0.802 410 P CB 0.151 31.827 31.700 -0.039 0.000 1.035 411 P HA 0.199 nan 4.420 nan 0.000 0.269 411 P C -2.052 175.216 177.300 -0.054 0.000 1.215 411 P CA -0.808 62.256 63.100 -0.060 0.000 0.780 411 P CB -1.309 30.356 31.700 -0.058 0.000 0.898 412 P HA 0.164 nan 4.420 nan 0.000 0.272 412 P C -0.848 176.424 177.300 -0.047 0.000 1.230 412 P CA -0.276 62.791 63.100 -0.055 0.000 0.788 412 P CB 0.328 31.989 31.700 -0.065 0.000 0.949 413 A N 3.005 125.802 122.820 -0.038 0.000 2.401 413 A HA 0.449 4.769 4.320 -0.000 0.000 0.259 413 A C -1.815 175.744 177.584 -0.042 0.000 1.103 413 A CA -1.113 50.904 52.037 -0.034 0.000 0.789 413 A CB -1.462 17.524 19.000 -0.023 0.000 1.035 413 A HN 0.441 nan 8.150 nan 0.000 0.491 414 P HA 0.299 nan 4.420 nan 0.000 0.261 414 P C -0.319 176.946 177.300 -0.059 0.000 1.183 414 P CA 0.688 63.753 63.100 -0.059 0.000 0.761 414 P CB 0.565 32.238 31.700 -0.045 0.000 0.785 415 A N 5.867 128.624 122.820 -0.105 0.000 2.380 415 A HA 0.638 4.958 4.320 -0.000 0.000 0.315 415 A C -1.485 176.012 177.584 -0.145 0.000 1.101 415 A CA -1.354 50.622 52.037 -0.101 0.000 0.771 415 A CB 0.803 nan 19.000 nan 0.000 1.287 415 A HN 0.318 nan 8.150 nan 0.000 0.436 416 P HA -0.257 nan 4.420 nan 0.000 0.213 416 P C 0.907 178.217 177.300 0.016 0.000 1.170 416 P CA 2.367 65.483 63.100 0.026 0.000 0.902 416 P CB -0.431 31.333 31.700 0.106 0.000 0.789 417 H N -1.253 117.843 119.070 0.043 0.000 2.545 417 H HA 0.330 4.886 4.556 -0.000 0.000 0.282 417 H C 1.793 177.130 175.328 0.015 0.000 1.020 417 H CA 0.776 56.866 56.048 0.069 0.000 1.243 417 H CB -0.934 28.903 29.762 0.126 0.000 1.377 417 H HN 0.102 nan 8.280 nan 0.000 0.581 418 A N 1.087 123.613 122.820 -0.490 0.000 2.019 418 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 418 A C 2.386 179.879 177.584 -0.152 0.000 1.164 418 A CA 1.713 53.545 52.037 -0.341 0.000 0.644 418 A CB -1.033 17.781 19.000 -0.310 0.000 0.805 418 A HN 0.691 nan 8.150 nan 0.000 0.449 419 T N -2.025 112.475 114.554 -0.090 0.000 3.067 419 T HA 0.291 4.640 4.350 -0.000 0.000 0.261 419 T C 0.688 175.390 174.700 0.003 0.000 1.110 419 T CA -0.031 62.049 62.100 -0.033 0.000 1.113 419 T CB -0.454 68.407 68.868 -0.011 0.000 0.917 419 T HN 0.246 nan 8.240 nan 0.000 0.499 420 L N 2.911 124.149 121.223 0.026 0.000 2.439 420 L HA 0.332 4.672 4.340 -0.000 0.000 0.269 420 L C -1.795 175.087 176.870 0.019 0.000 1.179 420 L CA -2.312 52.578 54.840 0.084 0.000 0.828 420 L CB 0.341 42.531 42.059 0.218 0.000 1.106 420 L HN 0.053 nan 8.230 nan 0.000 0.467 421 P HA 0.187 nan 4.420 nan 0.000 0.272 421 P C -0.976 176.286 177.300 -0.063 0.000 1.240 421 P CA -0.385 62.732 63.100 0.028 0.000 0.791 421 P CB 0.835 32.593 31.700 0.096 0.000 0.978 422 R N 0.269 120.705 120.500 -0.107 0.000 2.795 422 R HA 0.566 4.906 4.340 -0.000 0.000 0.275 422 R C -0.762 175.531 176.300 -0.011 0.000 0.981 422 R CA -1.182 54.786 56.100 -0.221 0.000 0.917 422 R CB 1.270 31.388 30.300 -0.303 0.000 1.202 422 R HN 0.420 nan 8.270 nan 0.000 0.469 423 L N 2.222 123.479 121.223 0.056 0.000 2.295 423 L HA 0.540 4.880 4.340 -0.000 0.000 0.285 423 L C -1.213 175.676 176.870 0.030 0.000 1.035 423 L CA -0.680 54.204 54.840 0.074 0.000 0.806 423 L CB 1.291 43.397 42.059 0.079 0.000 1.214 423 L HN 0.513 nan 8.230 nan 0.000 0.426 424 L N 5.655 126.900 121.223 0.036 0.000 2.333 424 L HA 0.703 5.043 4.340 -0.000 0.000 0.280 424 L C -0.585 176.280 176.870 -0.009 0.000 1.004 424 L CA -0.248 54.587 54.840 -0.008 0.000 0.820 424 L CB 1.215 43.267 42.059 -0.011 0.000 1.247 424 L HN 0.839 nan 8.230 nan 0.000 0.416 425 R N 4.431 124.865 120.500 -0.110 0.000 2.778 425 R HA 1.024 5.364 4.340 -0.000 0.000 0.277 425 R C -1.305 174.885 176.300 -0.183 0.000 0.977 425 R CA -0.722 55.232 56.100 -0.243 0.000 0.950 425 R CB 1.751 31.654 30.300 -0.662 0.000 1.165 425 R HN 0.734 nan 8.270 nan 0.000 0.474 426 A N 1.118 123.897 122.820 -0.069 0.000 2.572 426 A HA 0.689 5.009 4.320 -0.000 0.000 0.295 426 A C -1.244 176.472 177.584 0.220 0.000 1.072 426 A CA -0.795 51.267 52.037 0.040 0.000 0.691 426 A CB 2.319 21.333 19.000 0.024 0.000 1.291 426 A HN 0.692 nan 8.150 nan 0.000 0.404 427 S N -0.994 114.795 115.700 0.149 0.000 2.599 427 S HA 0.960 5.430 4.470 -0.000 0.000 0.287 427 S C -0.123 174.502 174.600 0.041 0.000 1.105 427 S CA -0.122 58.163 58.200 0.142 0.000 0.899 427 S CB 2.122 65.412 63.200 0.149 0.000 1.100 427 S HN 1.958 nan 8.310 nan 0.000 0.482 428 G N 0.194 109.015 108.800 0.034 0.000 2.601 428 G HA2 0.420 4.380 3.960 -0.000 0.000 0.291 428 G HA3 0.420 4.380 3.960 -0.000 0.000 0.291 428 G C -0.337 174.561 174.900 -0.003 0.000 1.456 428 G CA -0.726 44.340 45.100 -0.057 0.000 0.804 428 G HN 0.407 nan 8.290 nan 0.000 0.499 429 R N -0.779 119.633 120.500 -0.146 0.000 2.189 429 R HA 0.088 4.428 4.340 -0.000 0.000 0.218 429 R C 1.187 177.536 176.300 0.083 0.000 1.074 429 R CA 1.511 57.581 56.100 -0.050 0.000 0.991 429 R CB -0.246 29.941 30.300 -0.189 0.000 0.883 429 R HN 0.800 nan 8.270 nan 0.000 0.457 430 T N -4.322 110.172 114.554 -0.100 0.000 2.816 430 T HA 0.352 4.702 4.350 -0.000 0.000 0.299 430 T C -2.531 171.791 174.700 -0.630 0.000 1.230 430 T CA -1.760 60.060 62.100 -0.465 0.000 1.007 430 T CB 2.817 71.489 68.868 -0.327 0.000 1.289 430 T HN -0.307 nan 8.240 nan 0.000 0.508 431 P HA 0.028 nan 4.420 nan 0.000 0.217 431 P C 1.082 178.219 177.300 -0.270 0.000 1.150 431 P CA 1.058 63.825 63.100 -0.554 0.000 0.832 431 P CB 0.053 31.442 31.700 -0.519 0.000 0.787 432 E N -0.115 119.931 120.200 -0.257 0.000 2.153 432 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 432 E C 2.128 178.649 176.600 -0.132 0.000 0.988 432 E CA 1.415 57.723 56.400 -0.154 0.000 0.811 432 E CB -0.950 28.672 29.700 -0.129 0.000 0.746 432 E HN 0.161 nan 8.360 nan 0.000 0.466 433 A N 0.467 123.185 122.820 -0.169 0.000 1.902 433 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 433 A C 2.443 179.964 177.584 -0.106 0.000 1.181 433 A CA 1.323 53.262 52.037 -0.163 0.000 0.623 433 A CB -0.638 18.221 19.000 -0.236 0.000 0.818 433 A HN 0.150 nan 8.150 nan 0.000 0.443 434 V N -0.073 119.793 119.914 -0.081 0.000 2.270 434 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 434 V C 2.702 178.779 176.094 -0.028 0.000 1.043 434 V CA 1.927 64.213 62.300 -0.025 0.000 1.014 434 V CB -0.831 31.009 31.823 0.027 0.000 0.645 434 V HN 0.529 nan 8.190 nan 0.000 0.447 435 Q N 0.116 119.889 119.800 -0.046 0.000 2.112 435 Q HA -0.285 4.055 4.340 -0.000 0.000 0.206 435 Q C 2.303 178.290 176.000 -0.021 0.000 0.987 435 Q CA 1.948 57.729 55.803 -0.038 0.000 0.858 435 Q CB -0.441 28.267 28.738 -0.051 0.000 0.905 435 Q HN 0.521 nan 8.270 nan 0.000 0.420 436 K N 1.007 121.393 120.400 -0.024 0.000 2.057 436 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 436 K C 2.073 178.691 176.600 0.029 0.000 1.049 436 K CA 1.070 57.358 56.287 0.002 0.000 0.931 436 K CB -0.461 32.033 32.500 -0.010 0.000 0.714 436 K HN 0.175 nan 8.250 nan 0.000 0.440 437 L N 0.069 121.298 121.223 0.011 0.000 2.056 437 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 437 L C 2.330 179.217 176.870 0.027 0.000 1.078 437 L CA 0.941 55.793 54.840 0.020 0.000 0.749 437 L CB -0.408 41.640 42.059 -0.019 0.000 0.901 437 L HN 0.112 nan 8.230 nan 0.000 0.433 438 L N -0.255 120.975 121.223 0.011 0.000 2.093 438 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 438 L C 2.667 179.555 176.870 0.029 0.000 1.085 438 L CA 1.411 56.257 54.840 0.010 0.000 0.755 438 L CB -0.591 41.460 42.059 -0.013 0.000 0.904 438 L HN 0.384 nan 8.230 nan 0.000 0.435 439 E N 0.429 120.647 120.200 0.029 0.000 2.051 439 E HA -0.322 4.028 4.350 -0.000 0.000 0.192 439 E C 2.192 178.833 176.600 0.069 0.000 0.991 439 E CA 1.537 57.956 56.400 0.032 0.000 0.799 439 E CB -0.009 29.703 29.700 0.021 0.000 0.748 439 E HN 0.349 nan 8.360 nan 0.000 0.449 440 Q N 0.240 120.120 119.800 0.133 0.000 2.119 440 Q HA -0.031 4.309 4.340 -0.000 0.000 0.201 440 Q C 2.015 178.250 176.000 0.391 0.000 0.972 440 Q CA 1.914 57.870 55.803 0.254 0.000 0.847 440 Q CB -0.645 28.301 28.738 0.346 0.000 0.903 440 Q HN 0.385 nan 8.270 nan 0.000 0.433 441 G N 0.814 109.793 108.800 0.299 0.000 2.446 441 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 441 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 441 G C 1.315 176.323 174.900 0.180 0.000 1.168 441 G CA 0.966 46.223 45.100 0.263 0.000 0.771 441 G HN 0.426 nan 8.290 nan 0.000 0.551 442 L N 0.958 122.235 121.223 0.090 0.000 2.012 442 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 442 L C 2.731 179.598 176.870 -0.004 0.000 1.073 442 L CA 2.534 57.395 54.840 0.035 0.000 0.748 442 L CB -0.640 41.425 42.059 0.009 0.000 0.891 442 L HN 0.316 nan 8.230 nan 0.000 0.431 443 R N -1.460 119.010 120.500 -0.050 0.000 2.120 443 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 443 R C 0.500 176.565 176.300 -0.390 0.000 1.123 443 R CA 1.444 57.403 56.100 -0.235 0.000 0.975 443 R CB -0.270 29.843 30.300 -0.312 0.000 0.866 443 R HN 0.562 nan 8.270 nan 0.000 0.446 444 H N 0.127 119.230 119.070 0.056 0.000 2.505 444 H HA 0.117 4.673 4.556 -0.000 0.000 0.260 444 H C 0.901 176.286 175.328 0.095 0.000 1.232 444 H CA 0.377 56.444 56.048 0.032 0.000 0.991 444 H CB 1.075 30.792 29.762 -0.076 0.000 1.729 444 H HN 0.293 nan 8.280 nan 0.000 0.561 445 S N -0.204 115.561 115.700 0.108 0.000 2.474 445 S HA -0.140 4.330 4.470 -0.000 0.000 0.235 445 S C 1.412 176.038 174.600 0.044 0.000 0.997 445 S CA 0.862 59.107 58.200 0.075 0.000 0.949 445 S CB 0.136 63.355 63.200 0.031 0.000 0.766 445 S HN 0.351 nan 8.310 nan 0.000 0.517 446 Q N 0.671 120.496 119.800 0.041 0.000 2.282 446 Q HA 0.281 4.621 4.340 -0.000 0.000 0.206 446 Q C -0.251 175.756 176.000 0.012 0.000 0.878 446 Q CA 0.022 55.828 55.803 0.004 0.000 0.944 446 Q CB 0.371 29.101 28.738 -0.014 0.000 1.100 446 Q HN 0.401 nan 8.270 nan 0.000 0.509 447 D N 0.685 121.127 120.400 0.070 0.000 2.483 447 D HA 0.063 4.703 4.640 -0.000 0.000 0.220 447 D C 0.700 177.053 176.300 0.089 0.000 1.173 447 D CA 0.018 54.061 54.000 0.072 0.000 0.964 447 D CB 0.446 41.302 40.800 0.094 0.000 1.046 447 D HN 0.224 nan 8.370 nan 0.000 0.517 448 L N 2.319 123.550 121.223 0.013 0.000 2.042 448 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 448 L C 2.475 179.352 176.870 0.011 0.000 1.076 448 L CA 1.306 56.141 54.840 -0.007 0.000 0.749 448 L CB -0.379 41.654 42.059 -0.042 0.000 0.893 448 L HN 0.348 nan 8.230 nan 0.000 0.432 449 A N -0.117 122.701 122.820 -0.003 0.000 1.902 449 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 449 A C 2.168 179.861 177.584 0.182 0.000 1.181 449 A CA 1.492 53.536 52.037 0.012 0.000 0.623 449 A CB -0.799 18.172 19.000 -0.048 0.000 0.818 449 A HN 0.377 nan 8.150 nan 0.000 0.443 450 F N 0.776 120.727 119.950 0.001 0.000 2.095 450 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 450 F C 1.924 177.739 175.800 0.026 0.000 1.104 450 F CA 1.700 59.700 58.000 -0.000 0.000 1.232 450 F CB -0.420 38.551 39.000 -0.049 0.000 0.987 450 F HN 0.143 nan 8.300 nan 0.000 0.475 451 L N -1.030 120.174 121.223 -0.031 0.000 2.093 451 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 451 L C 2.728 179.546 176.870 -0.086 0.000 1.085 451 L CA 1.416 56.176 54.840 -0.134 0.000 0.755 451 L CB -1.117 40.919 42.059 -0.037 0.000 0.904 451 L HN 0.207 nan 8.230 nan 0.000 0.435 452 S N 0.024 115.731 115.700 0.011 0.000 2.368 452 S HA -0.195 4.275 4.470 -0.000 0.000 0.225 452 S C 2.068 176.713 174.600 0.074 0.000 1.030 452 S CA 1.379 59.628 58.200 0.081 0.000 0.999 452 S CB -0.099 63.207 63.200 0.177 0.000 0.844 452 S HN 0.279 nan 8.310 nan 0.000 0.459 453 M N 0.555 120.196 119.600 0.067 0.000 2.132 453 M HA -0.000 4.480 4.480 -0.000 0.000 0.263 453 M C 2.127 178.368 176.300 -0.099 0.000 1.065 453 M CA 1.223 56.519 55.300 -0.007 0.000 1.122 453 M CB -0.447 32.160 32.600 0.013 0.000 1.365 453 M HN 0.314 nan 8.290 nan 0.000 0.411 454 L N 0.072 121.166 121.223 -0.215 0.000 2.046 454 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 454 L C 2.159 178.949 176.870 -0.132 0.000 1.077 454 L CA 1.023 55.722 54.840 -0.236 0.000 0.747 454 L CB -0.850 40.970 42.059 -0.398 0.000 0.896 454 L HN 0.365 nan 8.230 nan 0.000 0.432 455 N N -0.047 118.590 118.700 -0.105 0.000 2.223 455 N HA -0.174 4.566 4.740 -0.000 0.000 0.185 455 N C 1.408 176.894 175.510 -0.040 0.000 1.016 455 N CA 1.192 54.200 53.050 -0.071 0.000 0.863 455 N CB -0.278 38.187 38.487 -0.036 0.000 0.983 455 N HN 0.282 nan 8.380 nan 0.000 0.429 456 D N 0.511 120.895 120.400 -0.026 0.000 2.219 456 D HA -0.047 4.593 4.640 -0.000 0.000 0.205 456 D C 1.812 178.108 176.300 -0.007 0.000 0.970 456 D CA 0.447 54.439 54.000 -0.013 0.000 0.851 456 D CB -0.015 40.771 40.800 -0.025 0.000 0.943 456 D HN 0.534 nan 8.370 nan 0.000 0.488 457 I N -2.814 117.747 120.570 -0.015 0.000 3.793 457 I HA 0.280 4.450 4.170 -0.000 0.000 0.315 457 I C 1.702 177.849 176.117 0.050 0.000 1.275 457 I CA 0.069 61.378 61.300 0.016 0.000 1.214 457 I CB 0.181 38.184 38.000 0.005 0.000 1.018 457 I HN -0.210 nan 8.210 nan 0.000 0.439 458 A N 1.498 124.336 122.820 0.030 0.000 2.169 458 A HA 0.517 4.837 4.320 -0.000 0.000 0.212 458 A C 1.751 179.420 177.584 0.142 0.000 1.153 458 A CA 0.519 52.595 52.037 0.066 0.000 0.756 458 A CB -0.378 18.604 19.000 -0.029 0.000 0.813 458 A HN 0.508 nan 8.150 nan 0.000 0.471 459 A N 0.787 123.671 122.820 0.107 0.000 3.037 459 A HA 0.518 4.838 4.320 -0.000 0.000 0.272 459 A C -0.293 177.358 177.584 0.112 0.000 1.723 459 A CA -0.048 52.059 52.037 0.117 0.000 1.413 459 A CB -0.783 18.264 19.000 0.078 0.000 1.112 459 A HN 0.214 nan 8.150 nan 0.000 0.606 460 V N 3.726 123.717 119.914 0.127 0.000 2.495 460 V HA 0.365 4.485 4.120 -0.000 0.000 0.298 460 V C -2.145 173.994 176.094 0.076 0.000 1.031 460 V CA -1.772 60.603 62.300 0.126 0.000 0.871 460 V CB 1.801 33.730 31.823 0.177 0.000 0.988 460 V HN 0.629 nan 8.190 nan 0.000 0.432 461 P HA 0.079 nan 4.420 nan 0.000 0.267 461 P C 0.625 177.921 177.300 -0.007 0.000 1.200 461 P CA 0.005 63.108 63.100 0.005 0.000 0.772 461 P CB 0.827 32.519 31.700 -0.014 0.000 0.855 462 A N 2.577 125.369 122.820 -0.046 0.000 2.070 462 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 462 A C 1.957 179.501 177.584 -0.067 0.000 1.159 462 A CA 2.103 54.095 52.037 -0.076 0.000 0.656 462 A CB -1.677 17.252 19.000 -0.120 0.000 0.800 462 A HN 0.672 nan 8.150 nan 0.000 0.453 463 T N -2.638 111.884 114.554 -0.053 0.000 2.867 463 T HA 0.127 4.477 4.350 -0.000 0.000 0.268 463 T C 1.751 176.439 174.700 -0.019 0.000 1.057 463 T CA 1.498 63.569 62.100 -0.048 0.000 1.136 463 T CB -0.279 68.557 68.868 -0.053 0.000 0.874 463 T HN 0.502 nan 8.240 nan 0.000 0.466 464 A N 0.689 123.516 122.820 0.012 0.000 1.956 464 A HA 0.571 4.891 4.320 -0.000 0.000 0.212 464 A C 1.373 179.074 177.584 0.195 0.000 1.188 464 A CA 0.077 52.169 52.037 0.093 0.000 0.675 464 A CB 0.039 19.081 19.000 0.069 0.000 0.845 464 A HN 0.519 nan 8.150 nan 0.000 0.455 465 M N 0.675 120.336 119.600 0.103 0.000 1.980 465 M HA 0.260 4.740 4.480 -0.000 0.000 0.282 465 M C -2.297 174.003 176.300 -0.000 0.000 0.878 465 M CA -1.706 53.632 55.300 0.064 0.000 0.900 465 M CB 2.486 35.118 32.600 0.053 0.000 1.577 465 M HN 0.009 nan 8.290 nan 0.000 0.396 466 P HA 0.024 nan 4.420 nan 0.000 0.237 466 P C -0.373 176.600 177.300 -0.544 0.000 1.178 466 P CA 0.902 63.835 63.100 -0.278 0.000 0.766 466 P CB 0.030 31.531 31.700 -0.331 0.000 0.876 467 F N 0.209 120.130 119.950 -0.048 0.000 2.480 467 F HA 0.525 5.051 4.527 -0.000 0.000 0.329 467 F C 1.161 176.940 175.800 -0.035 0.000 1.091 467 F CA -0.682 57.292 58.000 -0.045 0.000 0.972 467 F CB 1.796 40.769 39.000 -0.046 0.000 1.150 467 F HN -0.420 nan 8.300 nan 0.000 0.467 468 R N 0.577 121.151 120.500 0.124 0.000 2.808 468 R HA 0.850 5.190 4.340 -0.000 0.000 0.272 468 R C -0.717 175.683 176.300 0.166 0.000 0.995 468 R CA -1.284 54.881 56.100 0.109 0.000 0.917 468 R CB 2.576 32.803 30.300 -0.121 0.000 1.217 468 R HN 0.887 nan 8.270 nan 0.000 0.471 469 G N 0.380 109.330 108.800 0.250 0.000 2.649 469 G HA2 0.561 4.521 3.960 -0.000 0.000 0.290 469 G HA3 0.561 4.521 3.960 -0.000 0.000 0.290 469 G C -2.074 172.991 174.900 0.274 0.000 1.426 469 G CA -0.585 44.628 45.100 0.188 0.000 0.794 469 G HN 0.562 nan 8.290 nan 0.000 0.483 470 Y N -2.259 118.077 120.300 0.060 0.000 2.625 470 Y HA 0.872 5.422 4.550 -0.000 0.000 0.338 470 Y C -0.585 175.316 175.900 0.001 0.000 1.123 470 Y CA -1.311 56.797 58.100 0.013 0.000 1.046 470 Y CB 1.573 40.036 38.460 0.006 0.000 1.299 470 Y HN 1.373 nan 8.280 nan 0.000 0.464 471 A N 1.356 124.261 122.820 0.142 0.000 2.488 471 A HA 0.644 4.964 4.320 -0.000 0.000 0.295 471 A C -2.100 175.588 177.584 0.174 0.000 1.045 471 A CA -0.757 51.305 52.037 0.042 0.000 0.703 471 A CB 1.406 20.398 19.000 -0.014 0.000 1.271 471 A HN 0.787 nan 8.150 nan 0.000 0.400 472 V N 3.631 123.652 119.914 0.178 0.000 2.406 472 V HA 0.332 4.451 4.120 -0.000 0.000 0.272 472 V C -0.027 176.115 176.094 0.081 0.000 1.043 472 V CA -0.022 62.365 62.300 0.146 0.000 0.915 472 V CB 0.771 32.692 31.823 0.163 0.000 0.988 472 V HN 0.706 nan 8.190 nan 0.000 0.466 473 L N 4.180 125.434 121.223 0.052 0.000 2.325 473 L HA 0.688 5.028 4.340 -0.000 0.000 0.279 473 L C 1.263 178.144 176.870 0.018 0.000 1.054 473 L CA 0.046 54.902 54.840 0.027 0.000 0.804 473 L CB 1.345 43.411 42.059 0.011 0.000 1.200 473 L HN 0.856 nan 8.230 nan 0.000 0.436 474 G N 1.757 110.567 108.800 0.018 0.000 2.143 474 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.249 474 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.249 474 G C 0.323 175.245 174.900 0.037 0.000 0.981 474 G CA 0.026 45.135 45.100 0.015 0.000 0.665 474 G HN 1.014 nan 8.290 nan 0.000 0.528 475 G N -1.574 107.258 108.800 0.053 0.000 2.702 475 G HA2 0.659 4.619 3.960 -0.000 0.000 0.254 475 G HA3 0.659 4.619 3.960 -0.000 0.000 0.254 475 G C 0.472 175.411 174.900 0.066 0.000 1.380 475 G CA 0.623 45.769 45.100 0.075 0.000 1.042 475 G HN 0.130 nan 8.290 nan 0.000 0.557 476 E N -0.570 119.680 120.200 0.082 0.000 2.192 476 E HA 0.031 4.381 4.350 -0.000 0.000 0.196 476 E C 0.674 177.313 176.600 0.065 0.000 0.922 476 E CA 0.185 56.624 56.400 0.065 0.000 0.924 476 E CB 0.425 30.163 29.700 0.063 0.000 0.911 476 E HN 0.445 nan 8.360 nan 0.000 0.478 477 R N 0.434 120.990 120.500 0.092 0.000 2.666 477 R HA 0.583 4.923 4.340 -0.000 0.000 0.275 477 R C 0.022 176.378 176.300 0.093 0.000 1.266 477 R CA -0.338 55.815 56.100 0.088 0.000 1.401 477 R CB 1.050 31.411 30.300 0.102 0.000 1.145 477 R HN -0.014 nan 8.270 nan 0.000 0.581 478 G N -0.100 108.737 108.800 0.061 0.000 2.704 478 G HA2 0.741 4.701 3.960 -0.000 0.000 0.293 478 G HA3 0.741 4.701 3.960 -0.000 0.000 0.293 478 G C -1.195 173.708 174.900 0.005 0.000 1.421 478 G CA -0.762 44.365 45.100 0.045 0.000 0.870 478 G HN 0.591 nan 8.290 nan 0.000 0.492 479 G N -0.095 108.683 108.800 -0.037 0.000 2.576 479 G HA2 0.743 4.703 3.960 -0.000 0.000 0.290 479 G HA3 0.743 4.703 3.960 -0.000 0.000 0.290 479 G C -3.220 171.596 174.900 -0.140 0.000 1.442 479 G CA -0.817 44.245 45.100 -0.063 0.000 0.792 479 G HN 0.595 nan 8.290 nan 0.000 0.491 480 P HA 0.344 nan 4.420 nan 0.000 0.271 480 P C -0.996 176.147 177.300 -0.262 0.000 1.216 480 P CA 0.038 63.018 63.100 -0.200 0.000 0.776 480 P CB 1.386 33.018 31.700 -0.112 0.000 0.881 481 E N 1.563 121.505 120.200 -0.430 0.000 2.176 481 E HA 0.462 4.812 4.350 -0.000 0.000 0.267 481 E C -0.732 175.760 176.600 -0.180 0.000 0.893 481 E CA -0.812 55.373 56.400 -0.357 0.000 0.761 481 E CB 2.350 31.661 29.700 -0.647 0.000 1.133 481 E HN 0.136 nan 8.360 nan 0.000 0.409 482 V N 2.988 122.866 119.914 -0.061 0.000 2.789 482 V HA 0.511 4.631 4.120 -0.000 0.000 0.311 482 V C -0.368 175.766 176.094 0.067 0.000 1.073 482 V CA -0.752 61.562 62.300 0.023 0.000 0.921 482 V CB 2.146 33.980 31.823 0.018 0.000 1.009 482 V HN 0.721 nan 8.190 nan 0.000 0.426 483 Q N 2.191 122.061 119.800 0.117 0.000 2.578 483 Q HA 0.552 4.892 4.340 -0.000 0.000 0.284 483 Q C -1.257 174.800 176.000 0.094 0.000 0.960 483 Q CA -0.930 54.940 55.803 0.111 0.000 0.809 483 Q CB 2.031 30.796 28.738 0.045 0.000 1.462 483 Q HN 0.656 nan 8.270 nan 0.000 0.392 484 Q N 1.061 120.856 119.800 -0.009 0.000 2.314 484 Q HA 0.421 4.761 4.340 -0.000 0.000 0.258 484 Q C -1.147 174.680 176.000 -0.288 0.000 0.954 484 Q CA -0.524 55.020 55.803 -0.432 0.000 0.890 484 Q CB 1.347 29.826 28.738 -0.432 0.000 1.210 484 Q HN 0.528 nan 8.270 nan 0.000 0.410 485 V N 6.956 126.663 119.914 -0.345 0.000 2.408 485 V HA 0.250 4.370 4.120 -0.000 0.000 0.267 485 V C -2.008 173.961 176.094 -0.208 0.000 1.047 485 V CA -1.617 60.547 62.300 -0.226 0.000 0.937 485 V CB 0.451 32.147 31.823 -0.212 0.000 0.999 485 V HN 0.873 nan 8.190 nan 0.000 0.472 486 P HA 0.136 nan 4.420 nan 0.000 0.261 486 P C 0.017 177.206 177.300 -0.185 0.000 1.183 486 P CA 0.245 63.248 63.100 -0.162 0.000 0.761 486 P CB 0.376 31.996 31.700 -0.135 0.000 0.785 487 A N 3.325 126.033 122.820 -0.188 0.000 2.406 487 A HA 0.594 4.914 4.320 -0.000 0.000 0.243 487 A C 0.871 178.328 177.584 -0.212 0.000 1.082 487 A CA 0.763 52.696 52.037 -0.173 0.000 0.786 487 A CB -0.636 18.280 19.000 -0.140 0.000 1.029 487 A HN 0.891 nan 8.150 nan 0.000 0.495 488 G N -0.145 108.561 108.800 -0.157 0.000 2.555 488 G HA2 0.032 3.992 3.960 -0.000 0.000 0.686 488 G HA3 0.032 3.992 3.960 -0.000 0.000 0.686 488 G C -0.633 174.209 174.900 -0.097 0.000 1.275 488 G CA -0.360 44.655 45.100 -0.142 0.000 0.871 488 G HN 0.899 nan 8.290 nan 0.000 0.603 489 E N 0.374 120.543 120.200 -0.051 0.000 2.316 489 E HA 0.315 4.665 4.350 -0.000 0.000 0.275 489 E C 0.253 176.860 176.600 0.012 0.000 1.029 489 E CA -0.054 56.336 56.400 -0.016 0.000 0.871 489 E CB 0.528 30.230 29.700 0.003 0.000 1.022 489 E HN 0.395 nan 8.360 nan 0.000 0.418 490 R N 4.655 125.166 120.500 0.018 0.000 2.412 490 R HA 0.309 4.649 4.340 -0.000 0.000 0.304 490 R C -2.318 174.030 176.300 0.080 0.000 1.066 490 R CA -1.817 54.315 56.100 0.055 0.000 0.923 490 R CB 1.386 31.702 30.300 0.027 0.000 1.156 490 R HN 0.310 nan 8.270 nan 0.000 0.513 491 P HA 0.023 nan 4.420 nan 0.000 0.271 491 P C -0.648 176.797 177.300 0.242 0.000 1.216 491 P CA -0.537 62.669 63.100 0.176 0.000 0.776 491 P CB 0.876 32.761 31.700 0.307 0.000 0.881 492 L N 4.606 125.900 121.223 0.119 0.000 2.264 492 L HA 0.491 4.831 4.340 -0.000 0.000 0.289 492 L C -1.320 175.565 176.870 0.025 0.000 1.044 492 L CA -0.244 54.668 54.840 0.119 0.000 0.807 492 L CB 0.147 42.221 42.059 0.026 0.000 1.192 492 L HN 0.275 nan 8.230 nan 0.000 0.425 493 W N 4.872 126.200 121.300 0.046 0.000 2.632 493 W HA 0.534 5.194 4.660 0.000 0.000 0.328 493 W C -0.938 175.756 176.519 0.292 0.000 1.044 493 W CA -0.359 57.020 57.345 0.058 0.000 1.225 493 W CB 1.500 30.988 29.460 0.047 0.000 1.396 493 W HN 0.181 nan 8.180 nan 0.000 0.499 494 F N 4.841 124.866 119.950 0.124 0.000 2.427 494 F HA 0.460 4.987 4.527 0.000 0.000 0.346 494 F C 0.065 175.959 175.800 0.157 0.000 1.120 494 F CA -2.034 56.024 58.000 0.096 0.000 1.033 494 F CB 0.848 39.848 39.000 0.001 0.000 1.126 494 F HN -0.072 nan 8.300 nan 0.000 0.462 495 I N 3.674 124.446 120.570 0.337 0.000 2.354 495 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 495 I C -0.552 175.695 176.117 0.217 0.000 1.007 495 I CA -0.501 60.983 61.300 0.307 0.000 1.167 495 I CB 0.923 39.114 38.000 0.318 0.000 1.320 495 I HN 0.408 nan 8.210 nan 0.000 0.458 496 C N 5.137 124.557 119.300 0.199 0.000 2.246 496 C HA 0.432 4.892 4.460 -0.000 0.000 0.329 496 C C 1.275 176.336 174.990 0.118 0.000 1.221 496 C CA -0.458 58.631 59.018 0.119 0.000 1.697 496 C CB -0.383 27.402 27.740 0.075 0.000 2.312 496 C HN 0.782 nan 8.230 nan 0.000 0.509 497 S N 1.794 117.526 115.700 0.054 0.000 2.608 497 S HA 0.581 5.051 4.470 -0.000 0.000 0.261 497 S C 0.906 175.496 174.600 -0.017 0.000 1.314 497 S CA -0.063 58.123 58.200 -0.023 0.000 0.992 497 S CB 0.921 64.080 63.200 -0.068 0.000 0.935 497 S HN 0.975 nan 8.310 nan 0.000 0.564 498 G N 0.161 108.924 108.800 -0.061 0.000 3.310 498 G HA2 0.468 4.428 3.960 -0.000 0.000 0.176 498 G HA3 0.468 4.428 3.960 -0.000 0.000 0.176 498 G C 0.007 174.888 174.900 -0.032 0.000 1.307 498 G CA -0.807 44.282 45.100 -0.018 0.000 0.935 498 G HN 0.634 nan 8.290 nan 0.000 0.628 499 M N -0.123 119.471 119.600 -0.009 0.000 2.207 499 M HA 0.431 4.911 4.480 -0.000 0.000 0.311 499 M C 1.181 177.513 176.300 0.054 0.000 1.127 499 M CA 0.965 56.291 55.300 0.042 0.000 1.181 499 M CB -0.136 32.508 32.600 0.073 0.000 1.409 499 M HN 1.531 nan 8.290 nan 0.000 0.461 500 G N 0.130 108.990 108.800 0.100 0.000 2.176 500 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 500 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 500 G C 0.508 175.491 174.900 0.138 0.000 0.979 500 G CA 0.690 45.858 45.100 0.113 0.000 0.641 500 G HN 1.096 nan 8.290 nan 0.000 0.530 501 T N -1.604 113.026 114.554 0.126 0.000 3.040 501 T HA 0.367 4.717 4.350 -0.000 0.000 0.250 501 T C 1.054 175.898 174.700 0.240 0.000 1.058 501 T CA 0.871 63.094 62.100 0.205 0.000 0.988 501 T CB 0.277 69.226 68.868 0.134 0.000 0.993 501 T HN 0.818 nan 8.240 nan 0.000 0.519 502 Q N 1.906 121.768 119.800 0.103 0.000 2.340 502 Q HA 0.302 4.642 4.340 -0.000 0.000 0.249 502 Q C -0.594 175.508 176.000 0.170 0.000 0.957 502 Q CA -0.684 55.078 55.803 -0.068 0.000 0.882 502 Q CB 0.818 29.367 28.738 -0.315 0.000 1.235 502 Q HN 0.752 nan 8.270 nan 0.000 0.439 503 W N 0.869 122.128 121.300 -0.068 0.000 3.248 503 W HA 0.460 5.120 4.660 -0.000 0.000 0.311 503 W C -1.060 175.595 176.519 0.226 0.000 1.258 503 W CA -1.053 56.338 57.345 0.077 0.000 1.191 503 W CB 0.747 30.198 29.460 -0.015 0.000 1.389 503 W HN 0.778 nan 8.180 nan 0.000 0.561 504 R N 1.507 122.264 120.500 0.428 0.000 2.484 504 R HA 0.370 4.710 4.340 -0.000 0.000 0.293 504 R C 1.186 177.575 176.300 0.147 0.000 1.023 504 R CA 1.893 58.158 56.100 0.274 0.000 1.037 504 R CB -0.135 30.278 30.300 0.188 0.000 0.951 504 R HN 1.164 nan 8.270 nan 0.000 0.418 505 G N 4.071 112.860 108.800 -0.018 0.000 2.176 505 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.253 505 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.253 505 G C 0.263 174.826 174.900 -0.562 0.000 0.979 505 G CA 0.273 45.291 45.100 -0.137 0.000 0.641 505 G HN 0.713 nan 8.290 nan 0.000 0.530 506 M N -0.778 118.157 119.600 -1.109 0.000 2.251 506 M HA 0.471 4.951 4.480 -0.000 0.000 0.343 506 M C 1.535 177.497 176.300 -0.564 0.000 1.245 506 M CA 1.380 55.750 55.300 -1.550 0.000 1.061 506 M CB 0.864 32.458 32.600 -1.677 0.000 1.723 506 M HN 1.641 nan 8.290 nan 0.000 0.449 507 G N 2.537 111.137 108.800 -0.332 0.000 2.267 507 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 507 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 507 G C 0.575 175.434 174.900 -0.069 0.000 0.998 507 G CA 0.486 45.518 45.100 -0.113 0.000 0.620 507 G HN 0.750 nan 8.290 nan 0.000 0.529 508 L N 0.878 122.058 121.223 -0.071 0.000 2.079 508 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 508 L C 2.954 179.820 176.870 -0.006 0.000 1.081 508 L CA 2.046 56.879 54.840 -0.013 0.000 0.752 508 L CB -0.525 41.532 42.059 -0.003 0.000 0.896 508 L HN 0.450 nan 8.230 nan 0.000 0.433 509 S N 0.011 115.706 115.700 -0.008 0.000 2.383 509 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 509 S C 1.910 176.453 174.600 -0.095 0.000 1.026 509 S CA 0.927 59.126 58.200 -0.002 0.000 0.981 509 S CB -0.085 63.149 63.200 0.057 0.000 0.818 509 S HN 0.339 nan 8.310 nan 0.000 0.472 510 L N 1.054 122.112 121.223 -0.274 0.000 2.313 510 L HA 0.065 4.405 4.340 -0.000 0.000 0.214 510 L C 2.333 179.038 176.870 -0.275 0.000 1.119 510 L CA 0.372 54.889 54.840 -0.538 0.000 0.809 510 L CB -0.363 40.881 42.059 -1.359 0.000 0.933 510 L HN 0.341 nan 8.230 nan 0.000 0.449 511 M N -0.337 119.249 119.600 -0.023 0.000 2.435 511 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 511 M C 2.030 178.372 176.300 0.070 0.000 1.065 511 M CA 1.524 56.915 55.300 0.151 0.000 1.076 511 M CB -0.989 31.678 32.600 0.111 0.000 1.403 511 M HN 0.189 nan 8.290 nan 0.000 0.454 512 R N -0.608 119.907 120.500 0.024 0.000 2.235 512 R HA 0.029 4.369 4.340 -0.000 0.000 0.213 512 R C 0.020 176.341 176.300 0.035 0.000 1.059 512 R CA 0.243 56.368 56.100 0.041 0.000 0.997 512 R CB -0.051 30.283 30.300 0.058 0.000 0.884 512 R HN 0.097 nan 8.270 nan 0.000 0.462 513 L N 1.469 122.682 121.223 -0.016 0.000 2.281 513 L HA 0.060 4.400 4.340 -0.000 0.000 0.285 513 L C 0.535 177.393 176.870 -0.020 0.000 1.074 513 L CA 0.268 55.064 54.840 -0.073 0.000 0.817 513 L CB 1.262 43.209 42.059 -0.186 0.000 1.168 513 L HN -0.009 nan 8.230 nan 0.000 0.434 514 D N 1.866 122.244 120.400 -0.037 0.000 2.133 514 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 514 D C 1.990 178.272 176.300 -0.030 0.000 0.997 514 D CA 1.245 55.229 54.000 -0.026 0.000 0.840 514 D CB 0.305 41.082 40.800 -0.038 0.000 0.947 514 D HN 0.355 nan 8.370 nan 0.000 0.452 515 R N -0.405 120.067 120.500 -0.047 0.000 2.075 515 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 515 R C 2.097 178.383 176.300 -0.024 0.000 1.126 515 R CA 0.716 56.791 56.100 -0.040 0.000 0.963 515 R CB -0.810 29.460 30.300 -0.050 0.000 0.858 515 R HN 0.190 nan 8.270 nan 0.000 0.435 516 F N 0.778 120.636 119.950 -0.153 0.000 2.113 516 F HA -0.071 4.455 4.527 -0.000 0.000 0.297 516 F C 2.402 178.131 175.800 -0.118 0.000 1.103 516 F CA 1.554 59.460 58.000 -0.158 0.000 1.248 516 F CB -0.211 38.662 39.000 -0.213 0.000 0.999 516 F HN -0.066 nan 8.300 nan 0.000 0.475 517 R N 0.465 121.002 120.500 0.062 0.000 2.083 517 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 517 R C 1.829 178.068 176.300 -0.102 0.000 1.137 517 R CA 2.256 58.349 56.100 -0.012 0.000 0.951 517 R CB -0.707 29.608 30.300 0.025 0.000 0.851 517 R HN 0.253 nan 8.270 nan 0.000 0.434 518 D N -0.260 120.088 120.400 -0.086 0.000 2.144 518 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 518 D C 1.832 178.051 176.300 -0.135 0.000 0.984 518 D CA 1.384 55.330 54.000 -0.090 0.000 0.834 518 D CB -0.311 40.452 40.800 -0.063 0.000 0.955 518 D HN 0.199 nan 8.370 nan 0.000 0.465 519 S N -0.077 115.505 115.700 -0.197 0.000 2.368 519 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 519 S C 1.981 176.405 174.600 -0.293 0.000 1.030 519 S CA 0.534 58.584 58.200 -0.250 0.000 0.999 519 S CB -0.086 62.917 63.200 -0.329 0.000 0.844 519 S HN 0.065 nan 8.310 nan 0.000 0.459 520 I N 1.863 122.210 120.570 -0.371 0.000 2.226 520 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 520 I C 2.298 178.308 176.117 -0.178 0.000 1.100 520 I CA 1.177 62.292 61.300 -0.307 0.000 1.374 520 I CB -1.473 36.340 38.000 -0.312 0.000 1.057 520 I HN 0.370 nan 8.210 nan 0.000 0.413 521 L N -0.117 121.022 121.223 -0.141 0.000 2.083 521 L HA -0.193 4.146 4.340 -0.000 0.000 0.209 521 L C 2.760 179.576 176.870 -0.089 0.000 1.083 521 L CA 1.136 55.919 54.840 -0.095 0.000 0.752 521 L CB -0.600 41.415 42.059 -0.072 0.000 0.899 521 L HN 0.186 nan 8.230 nan 0.000 0.433 522 R N -0.289 120.150 120.500 -0.102 0.000 2.075 522 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 522 R C 2.510 178.756 176.300 -0.090 0.000 1.126 522 R CA 1.535 57.583 56.100 -0.086 0.000 0.963 522 R CB -0.031 30.216 30.300 -0.089 0.000 0.858 522 R HN 0.208 nan 8.270 nan 0.000 0.435 523 S N 0.720 116.347 115.700 -0.121 0.000 2.382 523 S HA -0.119 4.350 4.470 -0.000 0.000 0.228 523 S C 1.159 175.714 174.600 -0.075 0.000 1.027 523 S CA 1.290 59.425 58.200 -0.109 0.000 0.991 523 S CB -0.230 62.883 63.200 -0.145 0.000 0.823 523 S HN 0.352 nan 8.310 nan 0.000 0.469 524 D N 1.294 121.648 120.400 -0.078 0.000 2.123 524 D HA -0.096 4.544 4.640 -0.000 0.000 0.196 524 D C 2.057 178.325 176.300 -0.054 0.000 0.992 524 D CA 0.929 54.893 54.000 -0.060 0.000 0.833 524 D CB -0.246 40.517 40.800 -0.062 0.000 0.954 524 D HN 0.247 nan 8.370 nan 0.000 0.455 525 E N 0.458 120.625 120.200 -0.055 0.000 2.110 525 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 525 E C 2.055 178.628 176.600 -0.045 0.000 0.988 525 E CA 0.784 57.153 56.400 -0.051 0.000 0.804 525 E CB -0.331 29.342 29.700 -0.045 0.000 0.745 525 E HN 0.241 nan 8.360 nan 0.000 0.458 526 A N 0.932 123.734 122.820 -0.030 0.000 1.902 526 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 526 A C 2.341 179.937 177.584 0.020 0.000 1.181 526 A CA 1.954 53.991 52.037 0.002 0.000 0.623 526 A CB -0.434 18.572 19.000 0.010 0.000 0.818 526 A HN 0.207 nan 8.150 nan 0.000 0.443 527 V N -2.767 117.145 119.914 -0.004 0.000 3.647 527 V HA 0.164 4.284 4.120 -0.000 0.000 0.279 527 V C 1.806 177.873 176.094 -0.044 0.000 1.314 527 V CA 1.196 63.508 62.300 0.019 0.000 1.125 527 V CB -0.574 31.236 31.823 -0.022 0.000 0.907 527 V HN 0.500 nan 8.190 nan 0.000 0.434 528 K N 1.831 122.178 120.400 -0.089 0.000 2.074 528 K HA -0.104 4.216 4.320 -0.000 0.000 0.209 528 K C -0.325 176.152 176.600 -0.204 0.000 1.048 528 K CA 2.231 58.449 56.287 -0.114 0.000 0.926 528 K CB -1.129 31.312 32.500 -0.099 0.000 0.713 528 K HN 0.477 nan 8.250 nan 0.000 0.444 529 P HA -0.102 nan 4.420 nan 0.000 0.225 529 P C 0.018 176.883 177.300 -0.726 0.000 1.148 529 P CA 1.007 63.757 63.100 -0.583 0.000 0.779 529 P CB 0.088 31.281 31.700 -0.844 0.000 0.780 530 F N -1.706 118.118 119.950 -0.211 0.000 2.639 530 F HA 0.436 4.963 4.527 -0.000 0.000 0.300 530 F C 1.641 177.375 175.800 -0.111 0.000 1.109 530 F CA -0.056 57.803 58.000 -0.234 0.000 1.335 530 F CB -0.722 37.892 39.000 -0.644 0.000 1.014 530 F HN -0.083 nan 8.300 nan 0.000 0.537 531 G N 0.858 109.654 108.800 -0.007 0.000 2.179 531 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 531 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 531 G C -0.343 174.578 174.900 0.034 0.000 1.010 531 G CA -0.099 45.010 45.100 0.014 0.000 0.736 531 G HN 0.185 nan 8.290 nan 0.000 0.513 532 L N -0.545 120.695 121.223 0.028 0.000 2.333 532 L HA 0.822 5.161 4.340 -0.000 0.000 0.269 532 L C 0.195 177.056 176.870 -0.015 0.000 1.010 532 L CA -1.052 53.805 54.840 0.029 0.000 0.818 532 L CB 2.047 44.150 42.059 0.074 0.000 1.306 532 L HN 0.139 nan 8.230 nan 0.000 0.430 533 K N 1.287 121.666 120.400 -0.035 0.000 2.668 533 K HA 0.319 4.639 4.320 -0.000 0.000 0.246 533 K C 0.270 176.839 176.600 -0.051 0.000 0.976 533 K CA -0.334 55.926 56.287 -0.045 0.000 0.902 533 K CB 1.708 34.178 32.500 -0.050 0.000 1.172 533 K HN 0.365 nan 8.250 nan 0.000 0.452 534 V N 1.857 121.747 119.914 -0.040 0.000 2.282 534 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 534 V C 2.168 178.241 176.094 -0.035 0.000 1.057 534 V CA 2.574 64.855 62.300 -0.031 0.000 1.032 534 V CB -0.580 31.217 31.823 -0.043 0.000 0.645 534 V HN 0.911 nan 8.190 nan 0.000 0.447 535 S N -0.495 115.177 115.700 -0.047 0.000 2.400 535 S HA -0.331 4.139 4.470 -0.000 0.000 0.232 535 S C 1.903 176.480 174.600 -0.039 0.000 1.025 535 S CA 1.736 59.913 58.200 -0.038 0.000 0.993 535 S CB -0.466 62.710 63.200 -0.040 0.000 0.808 535 S HN 0.516 nan 8.310 nan 0.000 0.478 536 Q N 1.225 120.991 119.800 -0.055 0.000 2.123 536 Q HA 0.258 4.598 4.340 -0.000 0.000 0.199 536 Q C 2.076 178.013 176.000 -0.105 0.000 0.966 536 Q CA 1.196 56.956 55.803 -0.072 0.000 0.845 536 Q CB -0.661 28.030 28.738 -0.077 0.000 0.907 536 Q HN 0.663 nan 8.270 nan 0.000 0.439 537 L N -0.432 120.719 121.223 -0.121 0.000 2.083 537 L HA -0.162 4.177 4.340 -0.000 0.000 0.209 537 L C 2.059 178.885 176.870 -0.073 0.000 1.083 537 L CA 0.862 55.593 54.840 -0.181 0.000 0.752 537 L CB -0.484 41.505 42.059 -0.117 0.000 0.899 537 L HN 0.239 nan 8.230 nan 0.000 0.433 538 L N -0.674 120.564 121.223 0.025 0.000 2.141 538 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 538 L C 2.333 179.195 176.870 -0.015 0.000 1.094 538 L CA 0.996 55.866 54.840 0.051 0.000 0.763 538 L CB -0.363 41.707 42.059 0.019 0.000 0.908 538 L HN 0.305 nan 8.230 nan 0.000 0.437 539 L N -0.768 120.432 121.223 -0.038 0.000 2.418 539 L HA 0.008 4.348 4.340 -0.000 0.000 0.218 539 L C 1.516 178.350 176.870 -0.059 0.000 1.125 539 L CA -0.176 54.641 54.840 -0.039 0.000 0.835 539 L CB -0.005 42.033 42.059 -0.035 0.000 0.953 539 L HN 0.125 nan 8.230 nan 0.000 0.454 540 S N -0.132 115.505 115.700 -0.105 0.000 2.558 540 S HA -0.060 4.410 4.470 -0.000 0.000 0.293 540 S C 1.333 175.875 174.600 -0.097 0.000 1.292 540 S CA 0.288 58.408 58.200 -0.132 0.000 1.063 540 S CB 0.565 63.622 63.200 -0.239 0.000 0.831 540 S HN 0.425 nan 8.310 nan 0.000 0.499 541 T N 0.888 115.402 114.554 -0.068 0.000 3.069 541 T HA 0.185 4.535 4.350 -0.000 0.000 0.252 541 T C 0.142 174.818 174.700 -0.039 0.000 1.053 541 T CA -0.400 61.678 62.100 -0.035 0.000 0.964 541 T CB -0.049 68.808 68.868 -0.017 0.000 1.005 541 T HN 0.541 nan 8.240 nan 0.000 0.532 542 D N 2.081 122.437 120.400 -0.073 0.000 2.325 542 D HA 0.135 4.775 4.640 -0.000 0.000 0.251 542 D C 1.031 177.288 176.300 -0.071 0.000 1.196 542 D CA -0.134 53.827 54.000 -0.066 0.000 0.866 542 D CB 1.620 42.374 40.800 -0.077 0.000 1.101 542 D HN 0.226 nan 8.370 nan 0.000 0.476 543 E N 1.950 122.136 120.200 -0.022 0.000 2.265 543 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 543 E C 1.436 178.041 176.600 0.008 0.000 0.996 543 E CA 1.186 57.593 56.400 0.011 0.000 0.832 543 E CB 0.086 29.806 29.700 0.034 0.000 0.756 543 E HN 0.357 nan 8.360 nan 0.000 0.491 544 S N -2.052 113.639 115.700 -0.016 0.000 2.593 544 S HA 0.020 4.490 4.470 -0.000 0.000 0.217 544 S C 1.719 176.300 174.600 -0.033 0.000 0.966 544 S CA 0.496 58.694 58.200 -0.004 0.000 0.914 544 S CB -0.183 63.018 63.200 0.001 0.000 0.776 544 S HN 0.157 nan 8.310 nan 0.000 0.523 545 T N 2.228 116.697 114.554 -0.142 0.000 2.653 545 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 545 T C 0.606 175.203 174.700 -0.172 0.000 1.035 545 T CA 1.642 63.593 62.100 -0.248 0.000 1.154 545 T CB -0.538 67.973 68.868 -0.595 0.000 0.862 545 T HN 0.558 nan 8.240 nan 0.000 0.441 546 F N 1.190 121.198 119.950 0.097 0.000 2.731 546 F HA 0.225 4.752 4.527 -0.000 0.000 0.304 546 F C 1.553 177.390 175.800 0.062 0.000 1.133 546 F CA -0.756 57.297 58.000 0.089 0.000 1.380 546 F CB -0.345 38.694 39.000 0.066 0.000 1.079 546 F HN 0.067 nan 8.300 nan 0.000 0.550 547 D N -0.595 119.894 120.400 0.149 0.000 2.323 547 D HA -0.089 4.551 4.640 -0.000 0.000 0.209 547 D C 0.657 176.970 176.300 0.021 0.000 0.973 547 D CA 0.639 54.691 54.000 0.088 0.000 0.874 547 D CB -0.038 40.794 40.800 0.053 0.000 0.930 547 D HN 0.181 nan 8.370 nan 0.000 0.521 548 D N 0.893 121.284 120.400 -0.015 0.000 2.317 548 D HA 0.002 4.642 4.640 -0.000 0.000 0.252 548 D C 1.450 177.646 176.300 -0.173 0.000 1.174 548 D CA -0.296 53.601 54.000 -0.171 0.000 0.866 548 D CB 1.276 41.815 40.800 -0.435 0.000 1.127 548 D HN 0.012 nan 8.370 nan 0.000 0.467 549 I N 4.017 124.436 120.570 -0.252 0.000 2.194 549 I HA -0.295 3.874 4.170 -0.000 0.000 0.246 549 I C 1.892 177.684 176.117 -0.542 0.000 1.093 549 I CA 1.164 62.192 61.300 -0.453 0.000 1.355 549 I CB 0.309 38.002 38.000 -0.511 0.000 1.046 549 I HN 0.318 nan 8.210 nan 0.000 0.413 550 V N 0.606 120.294 119.914 -0.376 0.000 2.343 550 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 550 V C 2.220 178.343 176.094 0.048 0.000 1.051 550 V CA 2.368 64.531 62.300 -0.227 0.000 1.036 550 V CB -1.079 30.597 31.823 -0.245 0.000 0.654 550 V HN 0.531 nan 8.190 nan 0.000 0.451 551 H N 0.258 119.337 119.070 0.015 0.000 2.321 551 H HA -0.152 4.404 4.556 -0.000 0.000 0.300 551 H C 2.556 178.042 175.328 0.263 0.000 1.087 551 H CA 1.560 57.696 56.048 0.148 0.000 1.319 551 H CB -0.012 29.827 29.762 0.128 0.000 1.379 551 H HN 0.591 nan 8.280 nan 0.000 0.501 552 S N 0.627 116.537 115.700 0.349 0.000 2.371 552 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 552 S C 1.938 176.682 174.600 0.240 0.000 1.029 552 S CA 0.729 59.071 58.200 0.236 0.000 0.978 552 S CB -0.458 62.861 63.200 0.198 0.000 0.833 552 S HN 0.164 nan 8.310 nan 0.000 0.466 553 F N 2.143 122.110 119.950 0.029 0.000 2.075 553 F HA 0.043 4.570 4.527 -0.000 0.000 0.297 553 F C 2.722 178.519 175.800 -0.005 0.000 1.113 553 F CA -0.041 57.951 58.000 -0.013 0.000 1.218 553 F CB -1.316 37.666 39.000 -0.029 0.000 0.984 553 F HN 0.088 nan 8.300 nan 0.000 0.472 554 V N -0.933 119.127 119.914 0.242 0.000 2.343 554 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 554 V C 2.364 178.500 176.094 0.070 0.000 1.051 554 V CA 2.016 64.403 62.300 0.144 0.000 1.036 554 V CB -0.880 31.042 31.823 0.166 0.000 0.654 554 V HN 0.268 nan 8.190 nan 0.000 0.451 555 S N -0.373 115.372 115.700 0.075 0.000 2.387 555 S HA -0.088 4.382 4.470 -0.000 0.000 0.226 555 S C 1.836 176.378 174.600 -0.097 0.000 1.026 555 S CA 1.210 59.399 58.200 -0.018 0.000 0.972 555 S CB -0.253 62.939 63.200 -0.015 0.000 0.814 555 S HN 0.417 nan 8.310 nan 0.000 0.477 556 L N 1.380 122.553 121.223 -0.083 0.000 1.994 556 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 556 L C 2.513 179.347 176.870 -0.060 0.000 1.071 556 L CA 1.583 56.376 54.840 -0.079 0.000 0.745 556 L CB -0.908 41.130 42.059 -0.034 0.000 0.892 556 L HN 0.234 nan 8.230 nan 0.000 0.431 557 T N -0.477 114.049 114.554 -0.046 0.000 2.746 557 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 557 T C 1.865 176.498 174.700 -0.112 0.000 1.039 557 T CA 1.267 63.327 62.100 -0.068 0.000 1.142 557 T CB -0.485 68.354 68.868 -0.048 0.000 0.866 557 T HN 0.503 nan 8.240 nan 0.000 0.444 558 A N 1.099 123.852 122.820 -0.111 0.000 1.908 558 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 558 A C 2.300 179.762 177.584 -0.204 0.000 1.181 558 A CA 1.267 53.201 52.037 -0.172 0.000 0.627 558 A CB -0.782 18.133 19.000 -0.142 0.000 0.818 558 A HN 0.528 nan 8.150 nan 0.000 0.445 559 I N -0.804 119.693 120.570 -0.121 0.000 2.315 559 I HA -0.283 3.886 4.170 -0.000 0.000 0.248 559 I C 2.796 178.916 176.117 0.006 0.000 1.117 559 I CA 1.332 62.617 61.300 -0.025 0.000 1.404 559 I CB -0.368 37.661 38.000 0.048 0.000 1.071 559 I HN 0.458 nan 8.210 nan 0.000 0.419 560 Q N 0.514 120.293 119.800 -0.036 0.000 2.084 560 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 560 Q C 2.378 178.347 176.000 -0.050 0.000 0.978 560 Q CA 1.482 57.273 55.803 -0.020 0.000 0.844 560 Q CB -0.020 28.702 28.738 -0.027 0.000 0.898 560 Q HN 0.528 nan 8.270 nan 0.000 0.426 561 I N 0.082 120.556 120.570 -0.161 0.000 2.226 561 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 561 I C 2.268 178.267 176.117 -0.197 0.000 1.100 561 I CA 1.130 62.250 61.300 -0.299 0.000 1.374 561 I CB -0.481 37.170 38.000 -0.582 0.000 1.057 561 I HN 0.290 nan 8.210 nan 0.000 0.413 562 G N 0.762 109.406 108.800 -0.261 0.000 2.422 562 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 562 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 562 G C 1.698 176.624 174.900 0.043 0.000 1.146 562 G CA 0.410 45.304 45.100 -0.343 0.000 0.769 562 G HN 0.263 nan 8.290 nan 0.000 0.547 563 L N -0.097 121.210 121.223 0.139 0.000 2.093 563 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 563 L C 2.801 179.708 176.870 0.062 0.000 1.085 563 L CA 0.527 55.437 54.840 0.118 0.000 0.755 563 L CB -0.286 41.833 42.059 0.101 0.000 0.904 563 L HN 0.180 nan 8.230 nan 0.000 0.435 564 I N -0.137 120.466 120.570 0.054 0.000 2.286 564 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 564 I C 2.029 178.231 176.117 0.142 0.000 1.115 564 I CA 1.137 62.494 61.300 0.094 0.000 1.392 564 I CB -0.318 37.821 38.000 0.233 0.000 1.065 564 I HN 0.252 nan 8.210 nan 0.000 0.418 565 D N 0.717 121.201 120.400 0.139 0.000 2.144 565 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 565 D C 2.346 178.689 176.300 0.072 0.000 0.984 565 D CA 1.193 55.256 54.000 0.105 0.000 0.834 565 D CB -0.219 40.611 40.800 0.050 0.000 0.955 565 D HN 0.295 nan 8.370 nan 0.000 0.465 566 L N 0.120 121.383 121.223 0.067 0.000 2.046 566 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 566 L C 2.515 179.466 176.870 0.134 0.000 1.077 566 L CA 0.672 55.553 54.840 0.068 0.000 0.747 566 L CB -0.386 41.666 42.059 -0.011 0.000 0.896 566 L HN 0.049 nan 8.230 nan 0.000 0.432 567 L N -0.986 120.324 121.223 0.144 0.000 2.093 567 L HA -0.167 4.172 4.340 -0.000 0.000 0.208 567 L C 2.682 179.631 176.870 0.131 0.000 1.085 567 L CA 0.985 55.906 54.840 0.135 0.000 0.755 567 L CB -0.460 41.636 42.059 0.063 0.000 0.904 567 L HN 0.179 nan 8.230 nan 0.000 0.435 568 S N -0.361 115.411 115.700 0.119 0.000 2.383 568 S HA -0.188 4.282 4.470 -0.000 0.000 0.227 568 S C 2.124 176.759 174.600 0.058 0.000 1.026 568 S CA 1.343 59.595 58.200 0.087 0.000 0.981 568 S CB -0.509 62.729 63.200 0.064 0.000 0.818 568 S HN 0.712 nan 8.310 nan 0.000 0.472 569 C N 1.050 120.382 119.300 0.054 0.000 2.422 569 C HA 0.178 4.637 4.460 -0.000 0.000 0.286 569 C C 1.953 176.967 174.990 0.040 0.000 1.412 569 C CA 0.145 59.184 59.018 0.036 0.000 1.786 569 C CB -1.474 26.279 27.740 0.021 0.000 1.835 569 C HN 0.464 nan 8.230 nan 0.000 0.533 570 M N 0.706 120.339 119.600 0.055 0.000 2.431 570 M HA 0.245 4.725 4.480 -0.000 0.000 0.237 570 M C 1.641 177.969 176.300 0.047 0.000 1.130 570 M CA 0.861 56.192 55.300 0.052 0.000 1.002 570 M CB 0.112 32.748 32.600 0.059 0.000 1.524 570 M HN 0.631 nan 8.290 nan 0.000 0.482 571 G N 1.510 110.336 108.800 0.043 0.000 2.143 571 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.249 571 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.249 571 G C -0.024 174.895 174.900 0.033 0.000 0.981 571 G CA -0.284 44.834 45.100 0.029 0.000 0.665 571 G HN 0.414 nan 8.290 nan 0.000 0.528 572 L N 0.081 121.344 121.223 0.067 0.000 2.367 572 L HA 0.562 4.902 4.340 -0.000 0.000 0.275 572 L C 0.943 177.846 176.870 0.054 0.000 1.129 572 L CA -0.180 54.712 54.840 0.087 0.000 0.839 572 L CB 0.811 42.977 42.059 0.180 0.000 1.133 572 L HN 0.149 nan 8.230 nan 0.000 0.453 573 R N 4.162 124.632 120.500 -0.051 0.000 2.476 573 R HA 0.408 4.748 4.340 -0.000 0.000 0.305 573 R C -2.441 173.652 176.300 -0.346 0.000 0.965 573 R CA -1.548 54.448 56.100 -0.173 0.000 0.867 573 R CB 1.680 31.896 30.300 -0.140 0.000 1.176 573 R HN 0.356 nan 8.270 nan 0.000 0.447 574 P HA 0.081 nan 4.420 nan 0.000 0.274 574 P C -0.617 176.325 177.300 -0.596 0.000 1.231 574 P CA -0.193 62.387 63.100 -0.867 0.000 0.790 574 P CB 1.079 31.867 31.700 -1.521 0.000 0.951 575 D N 0.111 120.159 120.400 -0.587 0.000 2.346 575 D HA 0.139 4.779 4.640 -0.000 0.000 0.206 575 D C 0.978 176.738 176.300 -0.901 0.000 1.001 575 D CA 0.833 54.512 54.000 -0.534 0.000 0.871 575 D CB 0.488 41.093 40.800 -0.325 0.000 0.943 575 D HN 0.568 nan 8.370 nan 0.000 0.518 576 G N 0.257 108.192 108.800 -1.442 0.000 2.733 576 G HA2 0.616 4.576 3.960 -0.000 0.000 0.297 576 G HA3 0.616 4.576 3.960 -0.000 0.000 0.297 576 G C -1.350 172.914 174.900 -1.061 0.000 1.422 576 G CA -0.537 43.296 45.100 -2.112 0.000 0.942 576 G HN -0.018 nan 8.290 nan 0.000 0.510 577 I N 0.730 120.976 120.570 -0.541 0.000 2.569 577 I HA 0.529 4.699 4.170 -0.000 0.000 0.290 577 I C -0.826 175.395 176.117 0.174 0.000 1.088 577 I CA -1.097 60.123 61.300 -0.133 0.000 1.047 577 I CB 2.537 40.350 38.000 -0.312 0.000 1.237 577 I HN 0.216 nan 8.210 nan 0.000 0.421 578 V N 3.872 123.951 119.914 0.276 0.000 2.686 578 V HA 0.767 4.887 4.120 -0.000 0.000 0.306 578 V C 0.087 176.392 176.094 0.352 0.000 1.065 578 V CA -0.510 62.013 62.300 0.372 0.000 0.894 578 V CB 2.008 34.049 31.823 0.363 0.000 1.004 578 V HN 0.898 nan 8.190 nan 0.000 0.424 579 G N 1.009 110.040 108.800 0.386 0.000 2.453 579 G HA2 0.572 4.532 3.960 -0.000 0.000 0.323 579 G HA3 0.572 4.532 3.960 -0.000 0.000 0.323 579 G C -1.391 173.723 174.900 0.357 0.000 1.198 579 G CA -0.396 44.898 45.100 0.322 0.000 0.959 579 G HN 0.708 nan 8.290 nan 0.000 0.482 580 H N 1.470 120.610 119.070 0.116 0.000 2.595 580 H HA 0.484 5.040 4.556 -0.000 0.000 0.313 580 H C 0.787 176.073 175.328 -0.071 0.000 1.023 580 H CA 0.646 56.651 56.048 -0.071 0.000 1.218 580 H CB 1.327 30.845 29.762 -0.405 0.000 1.403 580 H HN 0.835 nan 8.280 nan 0.000 0.477 581 S N 3.185 118.792 115.700 -0.156 0.000 4.059 581 S HA -0.346 4.124 4.470 -0.000 0.000 0.624 581 S C 1.550 176.170 174.600 0.034 0.000 2.019 581 S CA 1.374 59.549 58.200 -0.042 0.000 4.197 581 S CB -1.152 62.101 63.200 0.089 0.000 0.215 581 S HN 0.605 nan 8.310 nan 0.000 0.609 582 L N 3.125 124.314 121.223 -0.056 0.000 2.263 582 L HA 0.143 4.483 4.340 -0.000 0.000 0.216 582 L C 2.381 179.216 176.870 -0.058 0.000 1.111 582 L CA 2.880 57.616 54.840 -0.172 0.000 0.773 582 L CB -1.334 40.457 42.059 -0.447 0.000 0.906 582 L HN 0.754 nan 8.230 nan 0.000 0.439 583 G N -1.236 107.569 108.800 0.008 0.000 2.479 583 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 583 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 583 G C 1.416 176.361 174.900 0.074 0.000 1.115 583 G CA 0.648 45.775 45.100 0.045 0.000 0.757 583 G HN 0.559 nan 8.290 nan 0.000 0.560 584 E N -0.141 120.144 120.200 0.141 0.000 2.268 584 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 584 E C 2.559 179.269 176.600 0.183 0.000 0.995 584 E CA 0.329 56.886 56.400 0.262 0.000 0.836 584 E CB 0.055 30.043 29.700 0.480 0.000 0.763 584 E HN 0.378 nan 8.360 nan 0.000 0.491 585 V N 1.174 121.155 119.914 0.112 0.000 2.307 585 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 585 V C 2.323 178.432 176.094 0.025 0.000 1.045 585 V CA 1.862 64.214 62.300 0.086 0.000 1.024 585 V CB -0.521 31.330 31.823 0.048 0.000 0.651 585 V HN 0.283 nan 8.190 nan 0.000 0.449 586 A N -1.229 121.588 122.820 -0.004 0.000 2.015 586 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 586 A C 2.304 179.847 177.584 -0.068 0.000 1.163 586 A CA 1.856 53.894 52.037 0.001 0.000 0.646 586 A CB -0.982 18.017 19.000 -0.002 0.000 0.806 586 A HN 0.600 nan 8.150 nan 0.000 0.448 587 C N -0.987 118.177 119.300 -0.226 0.000 2.425 587 C HA -0.013 4.447 4.460 -0.000 0.000 0.277 587 C C 2.939 177.357 174.990 -0.954 0.000 1.280 587 C CA 0.623 59.261 59.018 -0.632 0.000 1.744 587 C CB -1.550 25.573 27.740 -1.028 0.000 1.989 587 C HN 0.701 nan 8.230 nan 0.000 0.491 588 G N -1.401 106.951 108.800 -0.745 0.000 2.422 588 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 588 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 588 G C 1.381 176.195 174.900 -0.143 0.000 1.140 588 G CA 0.900 45.764 45.100 -0.393 0.000 0.775 588 G HN 0.595 nan 8.290 nan 0.000 0.545 589 Y N 1.836 122.029 120.300 -0.178 0.000 2.184 589 Y HA 0.162 4.712 4.550 0.000 0.000 0.290 589 Y C 2.863 178.698 175.900 -0.109 0.000 1.129 589 Y CA 1.192 59.231 58.100 -0.102 0.000 1.144 589 Y CB -0.363 38.056 38.460 -0.070 0.000 0.995 589 Y HN 0.221 nan 8.280 nan 0.000 0.513 590 A N -0.323 122.407 122.820 -0.150 0.000 1.933 590 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 590 A C 1.840 179.264 177.584 -0.267 0.000 1.175 590 A CA 2.043 53.978 52.037 -0.171 0.000 0.628 590 A CB -0.938 18.064 19.000 0.003 0.000 0.814 590 A HN 0.557 nan 8.150 nan 0.000 0.444 591 D N -1.913 118.299 120.400 -0.314 0.000 2.347 591 D HA 0.210 4.850 4.640 -0.000 0.000 0.215 591 D C 1.235 177.435 176.300 -0.166 0.000 0.976 591 D CA 1.316 55.178 54.000 -0.229 0.000 0.884 591 D CB -0.106 40.602 40.800 -0.153 0.000 0.915 591 D HN 0.581 nan 8.370 nan 0.000 0.526 592 G N -1.095 107.580 108.800 -0.209 0.000 2.132 592 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.234 592 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.234 592 G C 1.258 176.111 174.900 -0.079 0.000 0.989 592 G CA 0.350 45.346 45.100 -0.173 0.000 0.676 592 G HN 0.402 nan 8.290 nan 0.000 0.522 593 C N -0.320 118.963 119.300 -0.029 0.000 2.485 593 C HA 0.518 4.978 4.460 -0.000 0.000 0.278 593 C C 1.272 176.293 174.990 0.051 0.000 1.356 593 C CA 0.552 59.593 59.018 0.039 0.000 1.747 593 C CB -0.679 27.145 27.740 0.141 0.000 2.001 593 C HN 0.497 nan 8.230 nan 0.000 0.501 594 L N 0.967 122.226 121.223 0.059 0.000 2.362 594 L HA 0.403 4.743 4.340 -0.000 0.000 0.271 594 L C 0.385 177.346 176.870 0.152 0.000 1.002 594 L CA -0.021 54.885 54.840 0.110 0.000 0.818 594 L CB 1.750 43.895 42.059 0.144 0.000 1.298 594 L HN 0.150 nan 8.230 nan 0.000 0.420 595 S N 0.577 116.364 115.700 0.146 0.000 2.655 595 S HA 0.102 4.572 4.470 -0.000 0.000 0.265 595 S C 0.730 175.480 174.600 0.251 0.000 1.240 595 S CA -0.291 58.018 58.200 0.181 0.000 0.986 595 S CB 1.350 64.615 63.200 0.108 0.000 0.985 595 S HN 0.777 nan 8.310 nan 0.000 0.562 596 Q N 0.596 120.539 119.800 0.237 0.000 2.050 596 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 596 Q C 1.778 177.768 176.000 -0.016 0.000 0.980 596 Q CA 1.909 57.708 55.803 -0.007 0.000 0.840 596 Q CB -0.279 28.415 28.738 -0.073 0.000 0.898 596 Q HN 0.845 nan 8.270 nan 0.000 0.424 597 E N 0.700 120.920 120.200 0.034 0.000 2.110 597 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 597 E C 1.690 178.337 176.600 0.079 0.000 0.988 597 E CA 1.395 57.821 56.400 0.043 0.000 0.804 597 E CB -0.354 29.377 29.700 0.051 0.000 0.745 597 E HN 0.581 nan 8.360 nan 0.000 0.458 598 E N 1.012 121.270 120.200 0.096 0.000 2.106 598 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 598 E C 2.076 178.747 176.600 0.119 0.000 0.984 598 E CA 1.110 57.582 56.400 0.120 0.000 0.806 598 E CB -0.103 29.666 29.700 0.116 0.000 0.750 598 E HN 0.337 nan 8.360 nan 0.000 0.458 599 A N 0.613 123.488 122.820 0.091 0.000 1.898 599 A HA -0.120 4.199 4.320 -0.000 0.000 0.216 599 A C 2.440 180.051 177.584 0.045 0.000 1.181 599 A CA 1.001 53.079 52.037 0.068 0.000 0.620 599 A CB -0.534 18.484 19.000 0.030 0.000 0.819 599 A HN 0.119 nan 8.150 nan 0.000 0.442 600 V N 0.201 120.124 119.914 0.015 0.000 2.358 600 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 600 V C 2.528 178.671 176.094 0.082 0.000 1.047 600 V CA 1.804 64.115 62.300 0.019 0.000 1.035 600 V CB -0.676 31.135 31.823 -0.021 0.000 0.658 600 V HN 0.555 nan 8.190 nan 0.000 0.452 601 L N -0.084 121.211 121.223 0.120 0.000 2.141 601 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 601 L C 2.699 179.737 176.870 0.280 0.000 1.094 601 L CA 1.346 56.303 54.840 0.194 0.000 0.763 601 L CB -0.754 41.473 42.059 0.281 0.000 0.908 601 L HN 0.368 nan 8.230 nan 0.000 0.437 602 A N 0.151 123.107 122.820 0.227 0.000 1.902 602 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 602 A C 2.522 180.212 177.584 0.175 0.000 1.181 602 A CA 1.662 53.833 52.037 0.222 0.000 0.623 602 A CB -0.549 18.550 19.000 0.165 0.000 0.818 602 A HN 0.389 nan 8.150 nan 0.000 0.443 603 A N -1.551 121.343 122.820 0.124 0.000 1.929 603 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 603 A C 2.108 179.788 177.584 0.160 0.000 1.176 603 A CA 1.534 53.633 52.037 0.104 0.000 0.628 603 A CB -0.791 18.252 19.000 0.071 0.000 0.816 603 A HN 0.706 nan 8.150 nan 0.000 0.444 604 Y N -0.885 119.396 120.300 -0.033 0.000 2.097 604 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 604 Y C 2.141 177.871 175.900 -0.283 0.000 1.152 604 Y CA 2.018 59.975 58.100 -0.239 0.000 1.136 604 Y CB -0.625 37.515 38.460 -0.533 0.000 0.975 604 Y HN 0.442 nan 8.280 nan 0.000 0.498 605 W N 0.584 121.826 121.300 -0.098 0.000 2.374 605 W HA -0.136 4.524 4.660 -0.000 0.000 0.288 605 W C 2.817 179.270 176.519 -0.110 0.000 1.218 605 W CA 1.465 58.710 57.345 -0.166 0.000 1.245 605 W CB -0.316 29.140 29.460 -0.006 0.000 1.126 605 W HN -0.029 nan 8.180 nan 0.000 0.545 606 R N 0.559 121.178 120.500 0.199 0.000 2.091 606 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 606 R C 2.299 178.743 176.300 0.239 0.000 1.136 606 R CA 1.971 58.201 56.100 0.217 0.000 0.959 606 R CB -0.903 29.510 30.300 0.188 0.000 0.856 606 R HN 0.241 nan 8.270 nan 0.000 0.437 607 G N -0.191 108.712 108.800 0.173 0.000 2.396 607 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.214 607 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.214 607 G C 1.315 176.071 174.900 -0.240 0.000 1.166 607 G CA 0.504 45.528 45.100 -0.128 0.000 0.793 607 G HN 0.352 nan 8.290 nan 0.000 0.533 608 Q N 0.064 119.618 119.800 -0.412 0.000 2.084 608 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 608 Q C 2.397 178.332 176.000 -0.108 0.000 0.978 608 Q CA 1.775 57.325 55.803 -0.421 0.000 0.844 608 Q CB -0.866 27.319 28.738 -0.921 0.000 0.898 608 Q HN 0.384 nan 8.270 nan 0.000 0.426 609 C N -0.311 119.006 119.300 0.029 0.000 2.419 609 C HA -0.019 4.441 4.460 -0.000 0.000 0.281 609 C C 2.426 177.439 174.990 0.038 0.000 1.336 609 C CA 0.387 59.460 59.018 0.091 0.000 1.770 609 C CB -1.003 26.815 27.740 0.129 0.000 1.929 609 C HN 0.562 nan 8.230 nan 0.000 0.509 610 I N 0.421 121.000 120.570 0.015 0.000 2.286 610 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 610 I C 2.535 178.632 176.117 -0.034 0.000 1.104 610 I CA 1.351 62.654 61.300 0.006 0.000 1.397 610 I CB -0.397 37.626 38.000 0.038 0.000 1.072 610 I HN 0.287 nan 8.210 nan 0.000 0.417 611 K N 0.745 121.103 120.400 -0.071 0.000 2.097 611 K HA -0.182 4.137 4.320 -0.000 0.000 0.206 611 K C 1.560 178.142 176.600 -0.029 0.000 1.049 611 K CA 1.311 57.554 56.287 -0.074 0.000 0.933 611 K CB -0.041 32.386 32.500 -0.122 0.000 0.717 611 K HN 0.324 nan 8.250 nan 0.000 0.442 612 E N -0.235 119.960 120.200 -0.007 0.000 2.494 612 E HA 0.058 4.408 4.350 -0.000 0.000 0.193 612 E C -0.314 176.303 176.600 0.029 0.000 1.074 612 E CA -0.327 56.087 56.400 0.024 0.000 0.867 612 E CB 0.582 30.315 29.700 0.056 0.000 0.924 612 E HN 0.219 nan 8.360 nan 0.000 0.502 613 A N 0.370 123.201 122.820 0.018 0.000 2.435 613 A HA 0.530 4.850 4.320 -0.000 0.000 0.296 613 A C -1.339 176.268 177.584 0.038 0.000 1.147 613 A CA -0.673 51.378 52.037 0.023 0.000 0.775 613 A CB 0.994 19.991 19.000 -0.004 0.000 1.340 613 A HN 0.238 nan 8.150 nan 0.000 0.427 614 H N -0.081 118.966 119.070 -0.039 0.000 2.505 614 H HA 0.721 5.277 4.556 -0.000 0.000 0.338 614 H C -1.408 173.876 175.328 -0.074 0.000 1.057 614 H CA -0.461 55.557 56.048 -0.051 0.000 1.202 614 H CB 0.709 30.444 29.762 -0.046 0.000 1.466 614 H HN 0.502 nan 8.280 nan 0.000 0.499 615 L N 6.398 127.151 121.223 -0.783 0.000 2.333 615 L HA 0.501 4.841 4.340 -0.000 0.000 0.269 615 L C -2.047 174.330 176.870 -0.822 0.000 1.010 615 L CA -2.312 52.134 54.840 -0.655 0.000 0.818 615 L CB 2.090 43.940 42.059 -0.349 0.000 1.306 615 L HN 0.602 nan 8.230 nan 0.000 0.430 616 P HA 0.133 nan 4.420 nan 0.000 0.269 616 P C -2.528 174.715 177.300 -0.094 0.000 1.217 616 P CA -0.985 61.975 63.100 -0.234 0.000 0.783 616 P CB -0.412 31.142 31.700 -0.243 0.000 0.898 617 P HA 0.234 nan 4.420 nan 0.000 0.271 617 P C 0.088 177.400 177.300 0.021 0.000 1.226 617 P CA 0.477 63.569 63.100 -0.014 0.000 0.765 617 P CB 0.377 32.063 31.700 -0.023 0.000 0.835 618 G N 1.290 110.064 108.800 -0.044 0.000 2.600 618 G HA2 0.773 4.733 3.960 -0.000 0.000 0.303 618 G HA3 0.773 4.733 3.960 -0.000 0.000 0.303 618 G C -1.606 173.160 174.900 -0.222 0.000 1.253 618 G CA -0.665 44.344 45.100 -0.151 0.000 0.974 618 G HN 0.618 nan 8.290 nan 0.000 0.483 619 A N -0.147 122.513 122.820 -0.266 0.000 2.593 619 A HA 0.902 5.222 4.320 -0.000 0.000 0.290 619 A C -0.839 176.693 177.584 -0.087 0.000 1.126 619 A CA -0.696 51.255 52.037 -0.144 0.000 0.695 619 A CB 1.580 20.471 19.000 -0.181 0.000 1.290 619 A HN 0.678 nan 8.150 nan 0.000 0.414 620 M N -0.146 119.477 119.600 0.039 0.000 2.501 620 M HA 0.683 5.163 4.480 -0.000 0.000 0.293 620 M C -0.643 175.739 176.300 0.137 0.000 1.192 620 M CA -0.498 54.853 55.300 0.085 0.000 0.886 620 M CB 2.561 35.239 32.600 0.131 0.000 1.710 620 M HN 1.150 nan 8.290 nan 0.000 0.457 621 A N 1.402 124.308 122.820 0.142 0.000 2.488 621 A HA 0.881 5.201 4.320 -0.000 0.000 0.298 621 A C -1.084 176.587 177.584 0.145 0.000 1.044 621 A CA -0.727 51.387 52.037 0.129 0.000 0.693 621 A CB 1.443 20.509 19.000 0.111 0.000 1.272 621 A HN 0.922 nan 8.150 nan 0.000 0.402 622 A N 1.433 124.342 122.820 0.147 0.000 2.396 622 A HA 0.546 4.866 4.320 -0.000 0.000 0.279 622 A C 0.327 178.040 177.584 0.216 0.000 1.165 622 A CA 0.185 52.362 52.037 0.234 0.000 0.824 622 A CB -0.607 18.594 19.000 0.334 0.000 1.100 622 A HN 2.075 nan 8.150 nan 0.000 0.516 623 V N 1.353 121.409 119.914 0.236 0.000 2.513 623 V HA 0.796 4.916 4.120 -0.000 0.000 0.299 623 V C 0.682 176.952 176.094 0.293 0.000 1.035 623 V CA -0.049 62.367 62.300 0.192 0.000 0.889 623 V CB 1.441 33.333 31.823 0.115 0.000 0.988 623 V HN 1.024 nan 8.190 nan 0.000 0.440 624 G N 4.733 113.736 108.800 0.339 0.000 3.471 624 G HA2 0.485 4.445 3.960 -0.000 0.000 0.254 624 G HA3 0.485 4.445 3.960 -0.000 0.000 0.254 624 G C -0.113 174.877 174.900 0.150 0.000 1.199 624 G CA 0.188 45.452 45.100 0.273 0.000 1.683 624 G HN 1.137 nan 8.290 nan 0.000 0.625 625 L N -2.880 118.427 121.223 0.141 0.000 2.341 625 L HA 0.842 5.182 4.340 -0.000 0.000 0.254 625 L C 0.298 177.247 176.870 0.132 0.000 1.040 625 L CA -1.268 53.637 54.840 0.109 0.000 0.837 625 L CB 1.333 43.439 42.059 0.079 0.000 1.425 625 L HN 0.004 nan 8.230 nan 0.000 0.414 626 S N -0.528 115.237 115.700 0.109 0.000 2.608 626 S HA 0.066 4.536 4.470 -0.000 0.000 0.261 626 S C 0.725 175.403 174.600 0.131 0.000 1.314 626 S CA -0.392 57.883 58.200 0.126 0.000 0.992 626 S CB 0.510 63.767 63.200 0.094 0.000 0.935 626 S HN 0.951 nan 8.310 nan 0.000 0.564 627 W N 1.369 122.546 121.300 -0.204 0.000 2.355 627 W HA -0.139 4.521 4.660 -0.000 0.000 0.309 627 W C 1.997 178.421 176.519 -0.159 0.000 1.206 627 W CA 1.725 58.874 57.345 -0.327 0.000 1.284 627 W CB -0.200 28.808 29.460 -0.753 0.000 1.145 627 W HN 0.904 nan 8.180 nan 0.000 0.502 628 E N 0.144 120.369 120.200 0.042 0.000 2.077 628 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 628 E C 1.909 178.478 176.600 -0.052 0.000 0.989 628 E CA 1.417 57.797 56.400 -0.034 0.000 0.800 628 E CB -0.304 29.403 29.700 0.011 0.000 0.746 628 E HN 0.391 nan 8.360 nan 0.000 0.452 629 E N -0.089 120.107 120.200 -0.007 0.000 2.153 629 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 629 E C 2.106 178.708 176.600 0.003 0.000 0.988 629 E CA 0.632 57.036 56.400 0.008 0.000 0.811 629 E CB -0.089 29.633 29.700 0.037 0.000 0.746 629 E HN 0.244 nan 8.360 nan 0.000 0.466 630 C N 0.879 120.163 119.300 -0.028 0.000 2.446 630 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 630 C C 2.242 177.153 174.990 -0.132 0.000 1.275 630 C CA 0.767 59.762 59.018 -0.039 0.000 1.727 630 C CB -0.460 27.222 27.740 -0.096 0.000 2.010 630 C HN 0.340 nan 8.230 nan 0.000 0.486 631 K N -0.051 120.205 120.400 -0.240 0.000 2.360 631 K HA -0.148 4.172 4.320 -0.000 0.000 0.201 631 K C 1.978 178.488 176.600 -0.150 0.000 1.046 631 K CA 1.187 57.325 56.287 -0.249 0.000 0.945 631 K CB -0.116 32.207 32.500 -0.296 0.000 0.750 631 K HN 0.652 nan 8.250 nan 0.000 0.464 632 Q N -0.569 119.174 119.800 -0.095 0.000 2.373 632 Q HA 0.111 4.451 4.340 -0.000 0.000 0.210 632 Q C 1.755 177.735 176.000 -0.033 0.000 0.913 632 Q CA 0.246 56.014 55.803 -0.058 0.000 0.911 632 Q CB 0.539 29.257 28.738 -0.034 0.000 1.040 632 Q HN 0.118 nan 8.270 nan 0.000 0.521 633 R N -0.318 120.189 120.500 0.011 0.000 2.265 633 R HA 0.165 4.505 4.340 -0.000 0.000 0.194 633 R C 0.397 176.674 176.300 -0.040 0.000 0.931 633 R CA 0.026 56.188 56.100 0.103 0.000 1.032 633 R CB 0.166 30.628 30.300 0.270 0.000 0.980 633 R HN 0.152 nan 8.270 nan 0.000 0.497 634 C N 4.286 123.449 119.300 -0.228 0.000 2.633 634 C HA 0.110 4.570 4.460 -0.000 0.000 0.415 634 C C -1.512 173.145 174.990 -0.555 0.000 1.393 634 C CA -1.017 57.625 59.018 -0.627 0.000 1.700 634 C CB 0.321 27.843 27.740 -0.363 0.000 2.541 634 C HN 0.287 nan 8.230 nan 0.000 0.603 635 P HA 0.223 nan 4.420 nan 0.000 0.273 635 P C -2.660 174.485 177.300 -0.258 0.000 1.250 635 P CA -1.243 61.628 63.100 -0.381 0.000 0.793 635 P CB -0.389 31.108 31.700 -0.339 0.000 1.011 636 P HA 0.095 nan 4.420 nan 0.000 0.264 636 P C 1.038 178.275 177.300 -0.104 0.000 1.193 636 P CA 1.285 64.308 63.100 -0.128 0.000 0.763 636 P CB -0.148 31.497 31.700 -0.091 0.000 0.810 637 G N 1.240 109.980 108.800 -0.099 0.000 2.241 637 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 637 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 637 G C 0.023 174.948 174.900 0.042 0.000 0.998 637 G CA -0.042 45.058 45.100 -0.001 0.000 0.621 637 G HN 0.533 nan 8.290 nan 0.000 0.519 638 V N 1.639 121.500 119.914 -0.089 0.000 2.481 638 V HA 0.749 4.869 4.120 -0.000 0.000 0.286 638 V C 0.690 176.719 176.094 -0.109 0.000 1.042 638 V CA -0.119 62.105 62.300 -0.127 0.000 0.928 638 V CB 1.513 33.195 31.823 -0.236 0.000 0.986 638 V HN 1.317 nan 8.190 nan 0.000 0.462 639 V N 2.613 122.493 119.914 -0.057 0.000 3.049 639 V HA 0.749 4.869 4.120 -0.000 0.000 0.309 639 V C -2.903 173.153 176.094 -0.062 0.000 1.148 639 V CA -2.595 59.669 62.300 -0.060 0.000 0.990 639 V CB 2.469 34.312 31.823 0.033 0.000 1.039 639 V HN 0.665 nan 8.190 nan 0.000 0.430 640 P HA 0.383 nan 4.420 nan 0.000 0.276 640 P C 0.144 177.483 177.300 0.065 0.000 1.243 640 P CA 0.280 63.254 63.100 -0.209 0.000 0.768 640 P CB 1.676 32.811 31.700 -0.942 0.000 0.856 641 A N 2.857 125.847 122.820 0.284 0.000 2.026 641 A HA 0.245 4.565 4.320 -0.000 0.000 0.201 641 A C 0.373 178.194 177.584 0.395 0.000 1.318 641 A CA 0.594 52.838 52.037 0.346 0.000 0.857 641 A CB 0.043 19.209 19.000 0.277 0.000 0.939 641 A HN 0.569 nan 8.150 nan 0.000 0.476 642 C N -0.196 119.361 119.300 0.429 0.000 2.446 642 C HA 0.453 4.913 4.460 -0.000 0.000 0.329 642 C C -0.202 174.941 174.990 0.254 0.000 1.166 642 C CA -0.615 58.548 59.018 0.243 0.000 1.341 642 C CB -0.112 27.747 27.740 0.198 0.000 1.970 642 C HN 0.597 nan 8.230 nan 0.000 0.452 643 H N 3.388 122.274 119.070 -0.306 0.000 2.788 643 H HA 0.155 4.711 4.556 -0.000 0.000 0.254 643 H C 0.675 175.943 175.328 -0.101 0.000 1.541 643 H CA -0.282 55.451 56.048 -0.524 0.000 1.295 643 H CB 0.366 29.276 29.762 -1.420 0.000 1.592 643 H HN 0.660 nan 8.280 nan 0.000 0.545 644 N N 1.303 120.123 118.700 0.200 0.000 2.171 644 N HA -0.095 4.645 4.740 -0.000 0.000 0.184 644 N C 0.345 175.956 175.510 0.168 0.000 1.021 644 N CA 1.050 54.240 53.050 0.234 0.000 0.854 644 N CB 0.345 38.953 38.487 0.202 0.000 0.994 644 N HN 0.570 nan 8.380 nan 0.000 0.426 645 S N -1.651 114.117 115.700 0.114 0.000 2.688 645 S HA 0.373 4.843 4.470 -0.000 0.000 0.275 645 S C 0.557 175.217 174.600 0.099 0.000 1.175 645 S CA -0.854 57.374 58.200 0.046 0.000 0.818 645 S CB 2.345 65.591 63.200 0.075 0.000 1.157 645 S HN -0.114 nan 8.310 nan 0.000 0.482 646 K N -0.080 120.360 120.400 0.068 0.000 2.044 646 K HA -0.133 4.186 4.320 -0.000 0.000 0.210 646 K C 0.027 176.717 176.600 0.150 0.000 1.049 646 K CA 2.048 58.404 56.287 0.115 0.000 0.927 646 K CB -0.296 32.237 32.500 0.055 0.000 0.713 646 K HN 0.566 nan 8.250 nan 0.000 0.443 647 D N -0.128 120.339 120.400 0.112 0.000 2.462 647 D HA 0.027 4.667 4.640 -0.000 0.000 0.221 647 D C -0.618 175.753 176.300 0.118 0.000 1.173 647 D CA 0.273 54.335 54.000 0.103 0.000 0.831 647 D CB 1.002 41.836 40.800 0.057 0.000 1.001 647 D HN 0.230 nan 8.370 nan 0.000 0.499 648 T N -1.981 112.670 114.554 0.162 0.000 3.031 648 T HA 0.606 4.956 4.350 -0.000 0.000 0.305 648 T C -0.657 174.198 174.700 0.259 0.000 0.985 648 T CA -0.634 61.575 62.100 0.181 0.000 1.008 648 T CB 1.435 70.370 68.868 0.111 0.000 1.005 648 T HN -0.252 nan 8.240 nan 0.000 0.444 649 V N 2.667 122.755 119.914 0.289 0.000 3.001 649 V HA 0.760 4.880 4.120 -0.000 0.000 0.314 649 V C 0.002 176.284 176.094 0.314 0.000 1.099 649 V CA -0.775 61.742 62.300 0.361 0.000 0.989 649 V CB 2.685 34.765 31.823 0.428 0.000 1.040 649 V HN 1.080 nan 8.190 nan 0.000 0.434 650 T N 4.365 119.121 114.554 0.336 0.000 2.807 650 T HA 0.651 5.001 4.350 -0.000 0.000 0.279 650 T C -0.350 174.503 174.700 0.255 0.000 0.993 650 T CA -0.137 62.127 62.100 0.273 0.000 0.970 650 T CB 0.968 69.993 68.868 0.262 0.000 0.950 650 T HN 0.628 nan 8.240 nan 0.000 0.441 651 I N -0.147 120.541 120.570 0.196 0.000 2.822 651 I HA 0.918 5.088 4.170 -0.000 0.000 0.312 651 I C -0.155 176.018 176.117 0.094 0.000 1.011 651 I CA -0.633 60.752 61.300 0.141 0.000 1.105 651 I CB 2.019 40.112 38.000 0.155 0.000 1.291 651 I HN 0.491 nan 8.210 nan 0.000 0.474 652 S N 1.630 117.341 115.700 0.018 0.000 2.540 652 S HA 0.930 5.400 4.470 -0.000 0.000 0.275 652 S C -0.507 173.954 174.600 -0.233 0.000 1.123 652 S CA 0.155 58.306 58.200 -0.082 0.000 0.907 652 S CB 1.553 64.729 63.200 -0.040 0.000 1.081 652 S HN 1.402 nan 8.310 nan 0.000 0.476 653 G N 2.840 111.379 108.800 -0.435 0.000 2.336 653 G HA2 0.390 4.349 3.960 -0.000 0.000 0.286 653 G HA3 0.390 4.349 3.960 -0.000 0.000 0.286 653 G C -3.525 170.882 174.900 -0.822 0.000 1.269 653 G CA -0.647 44.023 45.100 -0.716 0.000 0.873 653 G HN 0.516 nan 8.290 nan 0.000 0.494 654 P HA 0.082 nan 4.420 nan 0.000 0.264 654 P C 0.738 177.886 177.300 -0.252 0.000 1.183 654 P CA 0.292 63.279 63.100 -0.188 0.000 0.763 654 P CB 0.931 32.656 31.700 0.040 0.000 0.807 655 Q N 3.826 123.469 119.800 -0.262 0.000 2.077 655 Q HA -0.276 4.064 4.340 -0.000 0.000 0.206 655 Q C 1.729 177.348 176.000 -0.636 0.000 0.989 655 Q CA 2.314 57.794 55.803 -0.537 0.000 0.853 655 Q CB -0.418 28.030 28.738 -0.483 0.000 0.907 655 Q HN 0.524 nan 8.270 nan 0.000 0.418 656 A N 1.086 123.730 122.820 -0.293 0.000 1.835 656 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 656 A C -0.385 177.164 177.584 -0.059 0.000 1.199 656 A CA 1.379 53.334 52.037 -0.137 0.000 0.615 656 A CB -1.690 17.286 19.000 -0.040 0.000 0.838 656 A HN 0.427 nan 8.150 nan 0.000 0.444 657 P HA -0.107 nan 4.420 nan 0.000 0.217 657 P C 1.596 178.910 177.300 0.024 0.000 1.148 657 P CA 1.252 64.343 63.100 -0.014 0.000 0.828 657 P CB -0.131 31.540 31.700 -0.050 0.000 0.783 658 V N -1.052 118.838 119.914 -0.039 0.000 2.270 658 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 658 V C 2.198 178.448 176.094 0.260 0.000 1.043 658 V CA 1.730 64.067 62.300 0.062 0.000 1.014 658 V CB -1.335 30.458 31.823 -0.050 0.000 0.645 658 V HN -0.023 nan 8.190 nan 0.000 0.447 659 F N 0.643 120.615 119.950 0.037 0.000 2.202 659 F HA -0.130 4.397 4.527 -0.000 0.000 0.301 659 F C 2.429 178.252 175.800 0.039 0.000 1.082 659 F CA 1.002 59.017 58.000 0.026 0.000 1.313 659 F CB -1.001 38.006 39.000 0.013 0.000 1.024 659 F HN 0.333 nan 8.300 nan 0.000 0.495 660 E N -0.643 119.706 120.200 0.247 0.000 2.015 660 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 660 E C 2.197 178.920 176.600 0.204 0.000 0.991 660 E CA 1.142 57.647 56.400 0.176 0.000 0.802 660 E CB -0.509 29.273 29.700 0.135 0.000 0.759 660 E HN 0.225 nan 8.360 nan 0.000 0.447 661 F N 1.588 121.562 119.950 0.040 0.000 2.120 661 F HA -0.237 4.289 4.527 -0.000 0.000 0.300 661 F C 2.204 178.013 175.800 0.015 0.000 1.095 661 F CA 0.954 58.966 58.000 0.020 0.000 1.249 661 F CB -0.543 38.464 39.000 0.011 0.000 0.995 661 F HN -0.177 nan 8.300 nan 0.000 0.480 662 V N -0.175 119.787 119.914 0.080 0.000 2.392 662 V HA -0.262 3.858 4.120 -0.000 0.000 0.249 662 V C 2.466 178.499 176.094 -0.102 0.000 1.059 662 V CA 2.059 64.318 62.300 -0.069 0.000 1.051 662 V CB -0.551 31.270 31.823 -0.003 0.000 0.658 662 V HN 0.215 nan 8.190 nan 0.000 0.455 663 E N -0.083 120.101 120.200 -0.025 0.000 2.015 663 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 663 E C 2.220 178.790 176.600 -0.050 0.000 0.991 663 E CA 1.572 57.953 56.400 -0.032 0.000 0.802 663 E CB -0.444 29.264 29.700 0.013 0.000 0.759 663 E HN 0.686 nan 8.360 nan 0.000 0.447 664 Q N 0.184 119.969 119.800 -0.024 0.000 2.062 664 Q HA -0.187 4.153 4.340 -0.000 0.000 0.209 664 Q C 2.416 178.348 176.000 -0.113 0.000 0.996 664 Q CA 2.000 57.784 55.803 -0.032 0.000 0.859 664 Q CB -0.290 28.477 28.738 0.048 0.000 0.920 664 Q HN 0.254 nan 8.270 nan 0.000 0.415 665 L N -0.098 120.973 121.223 -0.253 0.000 2.012 665 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 665 L C 2.751 179.521 176.870 -0.167 0.000 1.073 665 L CA 1.432 56.098 54.840 -0.289 0.000 0.748 665 L CB -0.469 41.298 42.059 -0.485 0.000 0.891 665 L HN 0.263 nan 8.230 nan 0.000 0.431 666 R N -0.073 120.335 120.500 -0.153 0.000 2.120 666 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 666 R C 2.317 178.576 176.300 -0.069 0.000 1.123 666 R CA 1.121 57.156 56.100 -0.108 0.000 0.975 666 R CB -0.147 30.086 30.300 -0.112 0.000 0.866 666 R HN 0.363 nan 8.270 nan 0.000 0.446 667 K N 0.967 121.329 120.400 -0.063 0.000 2.009 667 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 667 K C 1.419 178.000 176.600 -0.032 0.000 1.049 667 K CA 1.643 57.907 56.287 -0.038 0.000 0.929 667 K CB -0.022 32.461 32.500 -0.028 0.000 0.714 667 K HN 0.252 nan 8.250 nan 0.000 0.440 668 E N -0.515 119.660 120.200 -0.041 0.000 2.505 668 E HA 0.012 4.362 4.350 -0.000 0.000 0.197 668 E C 0.647 177.233 176.600 -0.023 0.000 1.111 668 E CA 0.335 56.717 56.400 -0.029 0.000 0.887 668 E CB 0.116 29.797 29.700 -0.032 0.000 0.913 668 E HN 0.537 nan 8.360 nan 0.000 0.517 669 G N 0.718 109.503 108.800 -0.024 0.000 2.148 669 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 669 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 669 G C 0.333 175.237 174.900 0.006 0.000 0.981 669 G CA 0.164 45.260 45.100 -0.007 0.000 0.670 669 G HN 0.219 nan 8.290 nan 0.000 0.528 670 V N 0.812 120.716 119.914 -0.017 0.000 2.607 670 V HA 0.580 4.699 4.120 -0.000 0.000 0.289 670 V C 0.724 176.835 176.094 0.029 0.000 1.053 670 V CA -0.673 61.632 62.300 0.008 0.000 0.996 670 V CB 1.379 33.177 31.823 -0.042 0.000 0.995 670 V HN 0.404 nan 8.190 nan 0.000 0.476 671 F N 4.501 124.431 119.950 -0.034 0.000 2.543 671 F HA 0.518 5.045 4.527 -0.000 0.000 0.375 671 F C 0.335 176.115 175.800 -0.033 0.000 1.075 671 F CA -0.059 57.926 58.000 -0.023 0.000 1.225 671 F CB 0.213 39.212 39.000 -0.002 0.000 1.099 671 F HN 0.550 nan 8.300 nan 0.000 0.561 672 A N 7.200 129.502 122.820 -0.864 0.000 2.429 672 A HA 0.545 4.864 4.320 -0.000 0.000 0.289 672 A C -1.295 175.826 177.584 -0.772 0.000 1.043 672 A CA -0.871 50.771 52.037 -0.658 0.000 0.722 672 A CB 1.136 19.931 19.000 -0.341 0.000 1.243 672 A HN 0.783 nan 8.150 nan 0.000 0.415 673 K N 2.830 122.854 120.400 -0.626 0.000 2.541 673 K HA 0.330 4.650 4.320 -0.000 0.000 0.250 673 K C -0.403 176.135 176.600 -0.102 0.000 0.950 673 K CA -0.441 55.636 56.287 -0.349 0.000 0.805 673 K CB 1.153 33.500 32.500 -0.254 0.000 1.166 673 K HN 0.854 nan 8.250 nan 0.000 0.430 674 E N 3.645 123.802 120.200 -0.071 0.000 2.376 674 E HA 0.068 4.418 4.350 -0.000 0.000 0.266 674 E C -0.519 176.117 176.600 0.060 0.000 1.009 674 E CA -0.326 56.087 56.400 0.023 0.000 0.902 674 E CB 0.937 30.626 29.700 -0.019 0.000 0.972 674 E HN 0.190 nan 8.360 nan 0.000 0.439 675 V N 3.327 123.308 119.914 0.111 0.000 2.997 675 V HA 0.355 4.475 4.120 -0.000 0.000 0.311 675 V C 0.637 176.808 176.094 0.129 0.000 1.066 675 V CA -0.795 61.579 62.300 0.124 0.000 1.039 675 V CB 1.130 33.045 31.823 0.153 0.000 1.081 675 V HN 0.619 nan 8.190 nan 0.000 0.467 676 R N 0.714 121.291 120.500 0.128 0.000 2.265 676 R HA 0.457 4.797 4.340 -0.000 0.000 0.328 676 R C 0.433 176.827 176.300 0.156 0.000 0.969 676 R CA 0.215 56.390 56.100 0.126 0.000 0.832 676 R CB 1.232 31.595 30.300 0.104 0.000 1.139 676 R HN 0.958 nan 8.270 nan 0.000 0.457 677 T N -0.643 113.995 114.554 0.141 0.000 3.111 677 T HA 0.207 4.557 4.350 -0.000 0.000 0.284 677 T C 1.013 175.767 174.700 0.091 0.000 0.983 677 T CA 0.174 62.380 62.100 0.176 0.000 0.900 677 T CB 0.883 69.813 68.868 0.103 0.000 1.132 677 T HN 0.671 nan 8.240 nan 0.000 0.531 678 G N 1.073 109.914 108.800 0.069 0.000 2.225 678 G HA2 0.205 4.165 3.960 -0.000 0.000 0.264 678 G HA3 0.205 4.165 3.960 -0.000 0.000 0.264 678 G C 1.008 175.895 174.900 -0.022 0.000 1.060 678 G CA 0.190 45.311 45.100 0.034 0.000 0.833 678 G HN 1.842 nan 8.290 nan 0.000 0.498 679 G N -1.665 107.118 108.800 -0.027 0.000 2.198 679 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.257 679 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.257 679 G C 0.195 175.002 174.900 -0.154 0.000 1.042 679 G CA 0.967 46.029 45.100 -0.064 0.000 0.791 679 G HN 1.078 nan 8.290 nan 0.000 0.502 680 M N -0.230 119.210 119.600 -0.266 0.000 2.383 680 M HA 0.654 5.134 4.480 -0.000 0.000 0.325 680 M C 0.266 176.247 176.300 -0.531 0.000 1.092 680 M CA -0.670 54.324 55.300 -0.511 0.000 0.961 680 M CB 2.110 34.104 32.600 -1.010 0.000 1.672 680 M HN 0.634 nan 8.290 nan 0.000 0.438 681 A N 3.616 126.181 122.820 -0.425 0.000 2.969 681 A HA 0.590 4.910 4.320 -0.000 0.000 0.328 681 A C -0.564 176.873 177.584 -0.244 0.000 1.355 681 A CA -0.470 51.357 52.037 -0.350 0.000 1.018 681 A CB -0.590 18.076 19.000 -0.556 0.000 1.159 681 A HN 0.609 nan 8.150 nan 0.000 0.505 682 F N 0.984 120.915 119.950 -0.033 0.000 2.490 682 F HA 0.203 4.730 4.527 -0.000 0.000 0.336 682 F C 1.501 177.254 175.800 -0.077 0.000 1.178 682 F CA 0.727 58.660 58.000 -0.111 0.000 1.301 682 F CB 0.091 39.037 39.000 -0.090 0.000 1.175 682 F HN 0.630 nan 8.300 nan 0.000 0.593 683 H N -0.747 118.479 119.070 0.261 0.000 2.756 683 H HA -0.146 4.410 4.556 -0.000 0.000 0.315 683 H C -0.131 175.268 175.328 0.118 0.000 1.210 683 H CA 0.473 56.619 56.048 0.165 0.000 1.150 683 H CB -1.778 28.083 29.762 0.164 0.000 1.463 683 H HN 0.570 nan 8.280 nan 0.000 0.427 684 S N -1.220 114.540 115.700 0.099 0.000 2.656 684 S HA 0.432 4.902 4.470 -0.000 0.000 0.273 684 S C 0.961 175.580 174.600 0.032 0.000 1.168 684 S CA -0.472 57.753 58.200 0.042 0.000 0.817 684 S CB 1.005 64.094 63.200 -0.185 0.000 1.146 684 S HN 0.184 nan 8.310 nan 0.000 0.475 685 Y N -0.494 119.886 120.300 0.133 0.000 2.403 685 Y HA 0.168 4.718 4.550 -0.000 0.000 0.291 685 Y C 1.513 177.539 175.900 0.209 0.000 1.143 685 Y CA 0.449 58.634 58.100 0.142 0.000 1.257 685 Y CB -0.826 37.706 38.460 0.121 0.000 0.984 685 Y HN 0.489 nan 8.280 nan 0.000 0.550 686 F N 0.751 120.233 119.950 -0.780 0.000 2.161 686 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 686 F C 2.179 177.844 175.800 -0.226 0.000 1.089 686 F CA 1.111 58.810 58.000 -0.502 0.000 1.282 686 F CB -0.448 38.235 39.000 -0.528 0.000 1.010 686 F HN 0.158 nan 8.300 nan 0.000 0.485 687 M N -0.732 118.881 119.600 0.021 0.000 2.557 687 M HA -0.124 4.356 4.480 -0.000 0.000 0.259 687 M C 1.814 178.125 176.300 0.019 0.000 1.086 687 M CA 0.811 56.123 55.300 0.020 0.000 1.096 687 M CB -1.271 31.356 32.600 0.044 0.000 1.424 687 M HN 0.207 nan 8.290 nan 0.000 0.488 688 E N 0.958 121.177 120.200 0.032 0.000 2.187 688 E HA -0.189 4.161 4.350 -0.000 0.000 0.199 688 E C 1.935 178.544 176.600 0.015 0.000 1.004 688 E CA 1.667 58.092 56.400 0.042 0.000 0.813 688 E CB -0.037 29.710 29.700 0.079 0.000 0.736 688 E HN 0.554 nan 8.360 nan 0.000 0.468 689 A N 0.273 123.083 122.820 -0.017 0.000 2.168 689 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 689 A C 1.796 179.374 177.584 -0.009 0.000 1.152 689 A CA 0.625 52.648 52.037 -0.024 0.000 0.716 689 A CB -0.094 18.871 19.000 -0.059 0.000 0.794 689 A HN 0.145 nan 8.150 nan 0.000 0.465 690 I N -0.526 120.045 120.570 0.002 0.000 2.716 690 I HA -0.047 4.123 4.170 -0.000 0.000 0.259 690 I C 2.753 178.887 176.117 0.029 0.000 1.172 690 I CA 0.871 62.183 61.300 0.020 0.000 1.478 690 I CB -1.636 36.387 38.000 0.038 0.000 1.104 690 I HN 0.317 nan 8.210 nan 0.000 0.439 691 A N 2.400 125.237 122.820 0.028 0.000 1.869 691 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 691 A C 0.238 177.834 177.584 0.020 0.000 1.203 691 A CA 2.100 54.155 52.037 0.030 0.000 0.638 691 A CB -2.130 16.889 19.000 0.031 0.000 0.831 691 A HN 0.259 nan 8.150 nan 0.000 0.450 692 P HA -0.126 nan 4.420 nan 0.000 0.214 692 P C -1.304 175.993 177.300 -0.005 0.000 1.163 692 P CA 2.286 65.389 63.100 0.004 0.000 0.883 692 P CB -0.836 30.866 31.700 0.003 0.000 0.788 693 P HA -0.095 nan 4.420 nan 0.000 0.219 693 P C 1.667 178.949 177.300 -0.029 0.000 1.150 693 P CA 0.945 64.035 63.100 -0.017 0.000 0.814 693 P CB -0.287 31.415 31.700 0.004 0.000 0.787 694 L N -0.164 121.063 121.223 0.007 0.000 2.027 694 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 694 L C 2.400 179.264 176.870 -0.009 0.000 1.074 694 L CA 1.497 56.351 54.840 0.024 0.000 0.745 694 L CB -1.792 40.306 42.059 0.065 0.000 0.898 694 L HN -0.168 nan 8.230 nan 0.000 0.433 695 L N -0.331 120.891 121.223 -0.002 0.000 2.079 695 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 695 L C 2.608 179.454 176.870 -0.039 0.000 1.081 695 L CA 2.194 57.032 54.840 -0.004 0.000 0.752 695 L CB -0.761 41.301 42.059 0.006 0.000 0.896 695 L HN 0.608 nan 8.230 nan 0.000 0.433 696 Q N -1.034 118.728 119.800 -0.064 0.000 2.119 696 Q HA -0.207 4.133 4.340 -0.000 0.000 0.201 696 Q C 1.862 177.756 176.000 -0.177 0.000 0.972 696 Q CA 1.569 57.314 55.803 -0.096 0.000 0.847 696 Q CB -0.028 28.657 28.738 -0.088 0.000 0.903 696 Q HN 0.558 nan 8.270 nan 0.000 0.433 697 E N 0.640 120.674 120.200 -0.277 0.000 2.072 697 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 697 E C 2.179 178.567 176.600 -0.352 0.000 0.985 697 E CA 0.754 56.824 56.400 -0.550 0.000 0.801 697 E CB -0.156 28.955 29.700 -0.983 0.000 0.750 697 E HN 0.451 nan 8.360 nan 0.000 0.452 698 L N 0.570 121.703 121.223 -0.151 0.000 2.201 698 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 698 L C 2.348 179.214 176.870 -0.008 0.000 1.105 698 L CA 0.939 55.767 54.840 -0.020 0.000 0.775 698 L CB -0.283 41.806 42.059 0.050 0.000 0.913 698 L HN 0.049 nan 8.230 nan 0.000 0.440 699 K N 0.227 120.607 120.400 -0.032 0.000 2.211 699 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 699 K C 2.008 178.600 176.600 -0.013 0.000 1.050 699 K CA 1.011 57.291 56.287 -0.012 0.000 0.945 699 K CB 0.110 32.599 32.500 -0.018 0.000 0.732 699 K HN 0.293 nan 8.250 nan 0.000 0.451 700 K N 0.033 120.407 120.400 -0.044 0.000 2.243 700 K HA -0.011 4.309 4.320 -0.000 0.000 0.201 700 K C 1.898 178.513 176.600 0.025 0.000 1.051 700 K CA 0.690 56.964 56.287 -0.021 0.000 0.970 700 K CB 0.267 32.733 32.500 -0.057 0.000 0.755 700 K HN -0.055 nan 8.250 nan 0.000 0.465 701 V N 1.734 121.670 119.914 0.037 0.000 2.346 701 V HA -0.060 4.059 4.120 -0.000 0.000 0.244 701 V C 1.312 177.461 176.094 0.091 0.000 1.037 701 V CA 1.050 63.413 62.300 0.104 0.000 1.029 701 V CB -0.087 31.840 31.823 0.172 0.000 0.663 701 V HN 0.189 nan 8.190 nan 0.000 0.454 702 I N 0.594 121.210 120.570 0.076 0.000 2.317 702 I HA 0.277 4.447 4.170 -0.000 0.000 0.286 702 I C 1.298 177.445 176.117 0.050 0.000 1.119 702 I CA -0.032 61.311 61.300 0.072 0.000 1.228 702 I CB 0.435 38.484 38.000 0.083 0.000 1.476 702 I HN 0.076 nan 8.210 nan 0.000 0.514 703 R N 2.355 122.882 120.500 0.045 0.000 2.148 703 R HA 0.036 4.376 4.340 -0.000 0.000 0.223 703 R C 0.128 176.445 176.300 0.028 0.000 1.088 703 R CA 1.028 57.148 56.100 0.033 0.000 0.985 703 R CB 0.199 30.517 30.300 0.030 0.000 0.880 703 R HN 0.524 nan 8.270 nan 0.000 0.451 704 E N 0.322 120.541 120.200 0.031 0.000 3.374 704 E HA 0.210 4.560 4.350 -0.000 0.000 0.223 704 E C -2.518 174.096 176.600 0.024 0.000 1.210 704 E CA -1.755 54.659 56.400 0.024 0.000 0.987 704 E CB 1.435 31.146 29.700 0.020 0.000 1.322 704 E HN 0.025 nan 8.360 nan 0.000 0.404 705 P HA -0.060 nan 4.420 nan 0.000 0.267 705 P C -0.522 176.783 177.300 0.009 0.000 1.201 705 P CA 0.278 63.393 63.100 0.024 0.000 0.775 705 P CB 0.731 32.444 31.700 0.022 0.000 0.854 706 K N 2.412 122.814 120.400 0.003 0.000 2.281 706 K HA 0.500 4.820 4.320 -0.000 0.000 0.242 706 K C -2.491 174.091 176.600 -0.030 0.000 0.971 706 K CA -2.173 54.110 56.287 -0.007 0.000 0.834 706 K CB 1.293 33.794 32.500 0.002 0.000 1.181 706 K HN 0.323 nan 8.250 nan 0.000 0.435 707 P HA 0.108 nan 4.420 nan 0.000 0.276 707 P C -1.015 176.242 177.300 -0.071 0.000 1.230 707 P CA -0.172 62.888 63.100 -0.066 0.000 0.776 707 P CB 0.602 32.273 31.700 -0.048 0.000 0.888 708 R N 1.454 121.863 120.500 -0.152 0.000 2.389 708 R HA 0.275 4.615 4.340 -0.000 0.000 0.295 708 R C 1.068 177.308 176.300 -0.101 0.000 1.075 708 R CA -0.267 55.749 56.100 -0.140 0.000 1.005 708 R CB 0.255 30.228 30.300 -0.544 0.000 0.987 708 R HN 0.567 nan 8.270 nan 0.000 0.452 709 S N 1.512 117.205 115.700 -0.012 0.000 2.624 709 S HA 0.194 4.664 4.470 -0.000 0.000 0.263 709 S C 1.231 175.780 174.600 -0.085 0.000 1.287 709 S CA -0.277 57.893 58.200 -0.050 0.000 0.990 709 S CB 1.511 64.681 63.200 -0.050 0.000 0.950 709 S HN 0.684 nan 8.310 nan 0.000 0.561 710 A N 0.708 123.475 122.820 -0.089 0.000 2.172 710 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 710 A C 2.245 179.761 177.584 -0.114 0.000 1.154 710 A CA 0.679 52.656 52.037 -0.100 0.000 0.701 710 A CB -0.613 18.357 19.000 -0.050 0.000 0.789 710 A HN 0.882 nan 8.150 nan 0.000 0.465 711 R N -2.139 118.282 120.500 -0.132 0.000 2.115 711 R HA -0.109 4.231 4.340 -0.000 0.000 0.226 711 R C 0.450 176.649 176.300 -0.168 0.000 1.100 711 R CA 0.722 56.678 56.100 -0.240 0.000 0.980 711 R CB -0.074 30.045 30.300 -0.302 0.000 0.875 711 R HN 0.632 nan 8.270 nan 0.000 0.445 712 W N 2.168 123.294 121.300 -0.289 0.000 2.433 712 W HA 0.225 4.884 4.660 -0.000 0.000 0.331 712 W C -1.275 175.069 176.519 -0.293 0.000 1.110 712 W CA -1.516 55.684 57.345 -0.243 0.000 1.450 712 W CB 0.139 29.470 29.460 -0.216 0.000 1.348 712 W HN -0.140 nan 8.180 nan 0.000 0.415 713 L N 5.977 127.300 121.223 0.168 0.000 2.283 713 L HA 0.126 4.466 4.340 -0.000 0.000 0.287 713 L C 0.958 177.783 176.870 -0.075 0.000 1.073 713 L CA -0.261 54.481 54.840 -0.163 0.000 0.822 713 L CB 0.360 42.542 42.059 0.205 0.000 1.186 713 L HN 0.414 nan 8.230 nan 0.000 0.436 714 S N 1.611 117.019 115.700 -0.487 0.000 2.562 714 S HA 0.170 4.640 4.470 -0.000 0.000 0.281 714 S C 1.167 175.903 174.600 0.226 0.000 1.333 714 S CA 0.213 58.343 58.200 -0.117 0.000 1.052 714 S CB 0.449 63.539 63.200 -0.184 0.000 0.884 714 S HN 0.788 nan 8.310 nan 0.000 0.506 715 T N 0.063 114.762 114.554 0.241 0.000 3.044 715 T HA 0.155 4.505 4.350 -0.000 0.000 0.260 715 T C 1.246 176.014 174.700 0.113 0.000 1.019 715 T CA 0.310 62.534 62.100 0.206 0.000 0.921 715 T CB -0.072 68.925 68.868 0.216 0.000 1.053 715 T HN 0.570 nan 8.240 nan 0.000 0.533 716 S N 0.465 116.214 115.700 0.083 0.000 2.512 716 S HA 0.448 4.918 4.470 -0.000 0.000 0.216 716 S C 0.271 174.884 174.600 0.022 0.000 1.006 716 S CA -0.553 57.645 58.200 -0.004 0.000 0.915 716 S CB -0.188 62.925 63.200 -0.146 0.000 0.824 716 S HN 0.476 nan 8.310 nan 0.000 0.497 717 I N 2.736 123.374 120.570 0.114 0.000 2.436 717 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 717 I C -2.857 173.427 176.117 0.279 0.000 1.010 717 I CA -2.800 58.605 61.300 0.175 0.000 1.098 717 I CB 2.417 40.537 38.000 0.200 0.000 1.266 717 I HN -0.083 nan 8.210 nan 0.000 0.434 718 P HA 0.019 nan 4.420 nan 0.000 0.269 718 P C 0.573 177.675 177.300 -0.331 0.000 1.209 718 P CA -0.054 63.033 63.100 -0.022 0.000 0.776 718 P CB 0.730 32.416 31.700 -0.024 0.000 0.876 719 E N 2.643 122.392 120.200 -0.752 0.000 2.097 719 E HA -0.297 4.053 4.350 -0.000 0.000 0.196 719 E C 1.732 177.793 176.600 -0.899 0.000 1.000 719 E CA 1.604 56.986 56.400 -1.696 0.000 0.804 719 E CB -0.369 28.593 29.700 -1.231 0.000 0.740 719 E HN 0.510 nan 8.360 nan 0.000 0.454 720 A N 0.230 122.789 122.820 -0.436 0.000 2.076 720 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 720 A C 1.815 179.315 177.584 -0.141 0.000 1.160 720 A CA 1.577 53.482 52.037 -0.221 0.000 0.653 720 A CB -0.232 18.697 19.000 -0.118 0.000 0.801 720 A HN 0.271 nan 8.150 nan 0.000 0.455 721 Q N -2.133 117.589 119.800 -0.129 0.000 2.198 721 Q HA 0.090 4.429 4.340 -0.000 0.000 0.209 721 Q C 0.706 176.775 176.000 0.114 0.000 0.848 721 Q CA -0.295 55.514 55.803 0.011 0.000 0.974 721 Q CB 0.136 28.904 28.738 0.049 0.000 1.115 721 Q HN 0.788 nan 8.270 nan 0.000 0.494 722 W N 0.014 121.209 121.300 -0.175 0.000 2.424 722 W HA -0.121 4.539 4.660 -0.000 0.000 0.264 722 W C 0.946 177.274 176.519 -0.318 0.000 1.229 722 W CA 0.962 58.143 57.345 -0.272 0.000 1.208 722 W CB -0.220 29.031 29.460 -0.349 0.000 1.127 722 W HN 0.377 nan 8.180 nan 0.000 0.588 723 H N -0.916 118.269 119.070 0.191 0.000 2.529 723 H HA 0.138 4.694 4.556 -0.000 0.000 0.277 723 H C 1.186 176.558 175.328 0.073 0.000 1.004 723 H CA 0.588 56.699 56.048 0.105 0.000 1.167 723 H CB -0.460 29.348 29.762 0.076 0.000 1.445 723 H HN -0.084 nan 8.280 nan 0.000 0.554 724 S N 0.526 116.319 115.700 0.155 0.000 2.600 724 S HA 0.044 4.514 4.470 -0.000 0.000 0.265 724 S C 1.793 176.446 174.600 0.089 0.000 1.325 724 S CA 0.008 58.274 58.200 0.111 0.000 1.002 724 S CB 1.573 64.830 63.200 0.096 0.000 0.921 724 S HN 0.335 nan 8.310 nan 0.000 0.554 725 S N 1.106 116.847 115.700 0.069 0.000 2.406 725 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 725 S C 1.703 176.338 174.600 0.057 0.000 1.020 725 S CA 0.796 59.028 58.200 0.053 0.000 0.965 725 S CB -0.848 62.378 63.200 0.043 0.000 0.798 725 S HN 0.703 nan 8.310 nan 0.000 0.488 726 L N 1.969 123.236 121.223 0.073 0.000 2.083 726 L HA 0.248 4.587 4.340 -0.000 0.000 0.209 726 L C 2.454 179.414 176.870 0.149 0.000 1.083 726 L CA 1.715 56.613 54.840 0.097 0.000 0.752 726 L CB -0.982 41.128 42.059 0.086 0.000 0.899 726 L HN 0.387 nan 8.230 nan 0.000 0.433 727 A N -1.238 121.655 122.820 0.121 0.000 2.218 727 A HA -0.014 4.305 4.320 -0.000 0.000 0.209 727 A C 2.227 179.766 177.584 -0.076 0.000 1.168 727 A CA 0.684 52.783 52.037 0.104 0.000 0.804 727 A CB -0.444 18.614 19.000 0.096 0.000 0.834 727 A HN 0.413 nan 8.150 nan 0.000 0.482 728 R N 1.018 121.493 120.500 -0.042 0.000 2.073 728 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 728 R C 1.070 177.273 176.300 -0.160 0.000 1.134 728 R CA 2.096 58.147 56.100 -0.081 0.000 0.952 728 R CB -0.573 29.715 30.300 -0.019 0.000 0.850 728 R HN 0.506 nan 8.270 nan 0.000 0.433 729 T N -3.883 110.580 114.554 -0.152 0.000 2.926 729 T HA 0.351 4.701 4.350 -0.000 0.000 0.289 729 T C -0.209 174.310 174.700 -0.302 0.000 1.054 729 T CA -0.712 61.283 62.100 -0.175 0.000 1.015 729 T CB 1.652 70.481 68.868 -0.065 0.000 1.167 729 T HN -0.034 nan 8.240 nan 0.000 0.526 730 S N 1.726 117.289 115.700 -0.228 0.000 3.940 730 S HA 0.422 4.892 4.470 -0.000 0.000 0.210 730 S C 0.456 175.071 174.600 0.025 0.000 1.419 730 S CA -0.721 57.369 58.200 -0.184 0.000 0.912 730 S CB -1.535 61.700 63.200 0.058 0.000 1.489 730 S HN 0.909 nan 8.310 nan 0.000 0.469 731 S N 2.411 118.155 115.700 0.073 0.000 2.707 731 S HA 0.724 5.194 4.470 -0.000 0.000 0.276 731 S C 1.605 176.293 174.600 0.147 0.000 1.179 731 S CA -0.318 57.944 58.200 0.102 0.000 0.992 731 S CB 0.977 64.226 63.200 0.083 0.000 1.030 731 S HN 0.585 nan 8.310 nan 0.000 0.554 732 A N 0.277 123.160 122.820 0.105 0.000 1.908 732 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 732 A C 2.098 179.744 177.584 0.104 0.000 1.181 732 A CA 1.943 54.038 52.037 0.096 0.000 0.627 732 A CB -1.295 17.740 19.000 0.057 0.000 0.818 732 A HN 0.981 nan 8.150 nan 0.000 0.445 733 E N -1.925 118.334 120.200 0.098 0.000 2.150 733 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 733 E C 1.768 178.434 176.600 0.110 0.000 0.985 733 E CA 1.165 57.617 56.400 0.087 0.000 0.814 733 E CB -0.249 29.495 29.700 0.073 0.000 0.752 733 E HN 0.762 nan 8.360 nan 0.000 0.466 734 Y N 1.375 121.695 120.300 0.032 0.000 2.200 734 Y HA -0.175 4.375 4.550 0.000 0.000 0.290 734 Y C 1.897 177.831 175.900 0.056 0.000 1.137 734 Y CA 1.745 59.860 58.100 0.026 0.000 1.163 734 Y CB 0.001 38.459 38.460 -0.003 0.000 0.988 734 Y HN 0.065 nan 8.280 nan 0.000 0.518 735 N N -0.393 118.448 118.700 0.235 0.000 2.270 735 N HA -0.135 4.605 4.740 -0.000 0.000 0.181 735 N C 1.887 177.442 175.510 0.074 0.000 1.016 735 N CA 1.429 54.583 53.050 0.173 0.000 0.870 735 N CB -0.207 38.404 38.487 0.207 0.000 0.979 735 N HN 0.283 nan 8.380 nan 0.000 0.431 736 V N 1.784 121.737 119.914 0.064 0.000 2.358 736 V HA -0.184 3.935 4.120 -0.000 0.000 0.246 736 V C 2.126 178.231 176.094 0.018 0.000 1.047 736 V CA 1.482 63.809 62.300 0.045 0.000 1.035 736 V CB -0.669 31.181 31.823 0.046 0.000 0.658 736 V HN 0.324 nan 8.190 nan 0.000 0.452 737 N N 0.953 119.641 118.700 -0.020 0.000 2.223 737 N HA -0.218 4.522 4.740 -0.000 0.000 0.185 737 N C 1.806 177.287 175.510 -0.049 0.000 1.016 737 N CA 1.448 54.473 53.050 -0.042 0.000 0.863 737 N CB -0.329 38.106 38.487 -0.086 0.000 0.983 737 N HN 0.522 nan 8.380 nan 0.000 0.429 738 N N 0.675 119.318 118.700 -0.095 0.000 2.084 738 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 738 N C 1.790 177.385 175.510 0.143 0.000 1.030 738 N CA 1.139 54.179 53.050 -0.017 0.000 0.849 738 N CB -0.410 38.066 38.487 -0.017 0.000 1.012 738 N HN 0.364 nan 8.380 nan 0.000 0.423 739 L N 1.357 122.622 121.223 0.070 0.000 2.079 739 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 739 L C 2.246 179.112 176.870 -0.006 0.000 1.081 739 L CA 1.612 56.445 54.840 -0.010 0.000 0.752 739 L CB -0.410 41.654 42.059 0.008 0.000 0.896 739 L HN 0.268 nan 8.230 nan 0.000 0.433 740 V N -4.664 115.292 119.914 0.069 0.000 3.650 740 V HA 0.316 4.436 4.120 -0.000 0.000 0.271 740 V C 0.878 177.062 176.094 0.150 0.000 1.281 740 V CA 0.223 62.578 62.300 0.092 0.000 1.120 740 V CB -0.438 31.433 31.823 0.080 0.000 0.856 740 V HN 0.306 nan 8.190 nan 0.000 0.443 741 S N 2.081 117.894 115.700 0.187 0.000 2.690 741 S HA 0.626 5.096 4.470 -0.000 0.000 0.291 741 S C -2.683 172.073 174.600 0.259 0.000 1.138 741 S CA -1.028 57.286 58.200 0.190 0.000 1.013 741 S CB 1.464 64.734 63.200 0.117 0.000 1.053 741 S HN 0.321 nan 8.310 nan 0.000 0.539 742 P HA 0.157 nan 4.420 nan 0.000 0.272 742 P C -0.949 176.385 177.300 0.057 0.000 1.230 742 P CA -0.338 62.904 63.100 0.238 0.000 0.788 742 P CB 0.297 32.246 31.700 0.415 0.000 0.949 743 V N 3.542 123.398 119.914 -0.096 0.000 2.368 743 V HA 0.115 4.235 4.120 -0.000 0.000 0.266 743 V C 0.852 176.866 176.094 -0.133 0.000 1.045 743 V CA -0.133 62.020 62.300 -0.245 0.000 0.899 743 V CB 0.048 31.514 31.823 -0.595 0.000 1.006 743 V HN 0.328 nan 8.190 nan 0.000 0.470 744 L N 5.540 126.728 121.223 -0.058 0.000 2.536 744 L HA 0.246 4.586 4.340 -0.000 0.000 0.242 744 L C 1.083 177.947 176.870 -0.010 0.000 1.280 744 L CA -0.063 54.725 54.840 -0.086 0.000 1.221 744 L CB -0.464 41.588 42.059 -0.011 0.000 1.449 744 L HN 0.566 nan 8.230 nan 0.000 0.405 745 F N 1.064 120.888 119.950 -0.209 0.000 2.074 745 F HA -0.185 4.341 4.527 -0.000 0.000 0.293 745 F C 2.564 178.280 175.800 -0.141 0.000 1.116 745 F CA 1.662 59.597 58.000 -0.110 0.000 1.212 745 F CB 0.035 39.023 39.000 -0.019 0.000 0.998 745 F HN 0.412 nan 8.300 nan 0.000 0.471 746 Q N 0.656 120.306 119.800 -0.250 0.000 2.152 746 Q HA -0.258 4.082 4.340 -0.000 0.000 0.206 746 Q C 1.876 177.660 176.000 -0.361 0.000 0.985 746 Q CA 2.120 57.670 55.803 -0.422 0.000 0.863 746 Q CB -0.211 28.062 28.738 -0.775 0.000 0.904 746 Q HN 0.488 nan 8.270 nan 0.000 0.422 747 E N 0.271 120.274 120.200 -0.329 0.000 2.077 747 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 747 E C 1.827 178.404 176.600 -0.038 0.000 0.989 747 E CA 1.514 57.799 56.400 -0.192 0.000 0.800 747 E CB -0.334 29.296 29.700 -0.116 0.000 0.746 747 E HN 0.480 nan 8.360 nan 0.000 0.452 748 A N 0.556 123.383 122.820 0.012 0.000 1.897 748 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 748 A C 2.163 179.739 177.584 -0.012 0.000 1.181 748 A CA 0.940 53.068 52.037 0.153 0.000 0.620 748 A CB -0.657 18.436 19.000 0.155 0.000 0.821 748 A HN 0.190 nan 8.150 nan 0.000 0.443 749 L N -1.533 119.543 121.223 -0.246 0.000 2.129 749 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 749 L C 2.553 179.313 176.870 -0.183 0.000 1.087 749 L CA 1.349 56.009 54.840 -0.300 0.000 0.757 749 L CB -0.530 41.307 42.059 -0.370 0.000 0.896 749 L HN 0.759 nan 8.230 nan 0.000 0.434 750 W N 0.467 121.561 121.300 -0.345 0.000 2.421 750 W HA -0.179 4.481 4.660 -0.000 0.000 0.270 750 W C 2.085 178.379 176.519 -0.375 0.000 1.233 750 W CA 1.117 58.243 57.345 -0.365 0.000 1.226 750 W CB -0.099 29.110 29.460 -0.418 0.000 1.121 750 W HN 0.352 nan 8.180 nan 0.000 0.579 751 H N -0.396 118.661 119.070 -0.020 0.000 2.548 751 H HA 0.065 4.621 4.556 0.000 0.000 0.265 751 H C 0.551 175.717 175.328 -0.270 0.000 0.969 751 H CA 0.447 56.457 56.048 -0.064 0.000 1.155 751 H CB -0.304 29.543 29.762 0.141 0.000 1.394 751 H HN -0.244 nan 8.280 nan 0.000 0.570 752 V N 5.738 125.384 119.914 -0.447 0.000 2.485 752 V HA 0.015 4.135 4.120 -0.000 0.000 0.287 752 V C -1.563 174.222 176.094 -0.514 0.000 1.022 752 V CA -0.989 60.797 62.300 -0.858 0.000 1.067 752 V CB 0.955 32.162 31.823 -1.025 0.000 0.967 752 V HN 0.162 nan 8.190 nan 0.000 0.479 753 P HA 0.142 nan 4.420 nan 0.000 0.274 753 P C -0.071 177.082 177.300 -0.245 0.000 1.260 753 P CA -0.480 62.498 63.100 -0.203 0.000 0.793 753 P CB 0.674 32.357 31.700 -0.027 0.000 1.048 754 E N 0.168 120.223 120.200 -0.241 0.000 2.398 754 E HA -0.042 4.308 4.350 -0.000 0.000 0.263 754 E C 0.408 176.852 176.600 -0.261 0.000 1.046 754 E CA 0.259 56.436 56.400 -0.371 0.000 0.908 754 E CB -0.127 29.280 29.700 -0.489 0.000 0.963 754 E HN 0.557 nan 8.360 nan 0.000 0.431 755 H N -2.238 116.781 119.070 -0.085 0.000 3.211 755 H HA -0.196 4.360 4.556 -0.000 0.000 0.240 755 H C 0.149 175.455 175.328 -0.036 0.000 1.148 755 H CA 0.780 56.794 56.048 -0.056 0.000 1.160 755 H CB -2.010 27.726 29.762 -0.043 0.000 1.232 755 H HN 0.550 nan 8.280 nan 0.000 0.321 756 A N 0.782 123.608 122.820 0.011 0.000 2.425 756 A HA 0.448 4.768 4.320 -0.000 0.000 0.242 756 A C 0.737 178.358 177.584 0.062 0.000 1.077 756 A CA 0.200 52.261 52.037 0.040 0.000 0.781 756 A CB 0.730 19.651 19.000 -0.130 0.000 1.020 756 A HN 0.129 nan 8.150 nan 0.000 0.494 757 V N 2.916 122.906 119.914 0.128 0.000 2.347 757 V HA 0.354 4.474 4.120 -0.000 0.000 0.280 757 V C -0.308 175.889 176.094 0.172 0.000 1.021 757 V CA -0.354 62.012 62.300 0.109 0.000 0.847 757 V CB 1.155 33.030 31.823 0.087 0.000 0.990 757 V HN 0.587 nan 8.190 nan 0.000 0.444 758 V N 6.966 126.957 119.914 0.129 0.000 2.384 758 V HA 0.473 4.593 4.120 -0.000 0.000 0.287 758 V C -0.131 176.048 176.094 0.141 0.000 1.020 758 V CA -0.499 61.908 62.300 0.178 0.000 0.850 758 V CB 1.614 33.504 31.823 0.112 0.000 0.987 758 V HN 0.627 nan 8.190 nan 0.000 0.436 759 L N 4.022 125.355 121.223 0.183 0.000 2.295 759 L HA 0.538 4.878 4.340 -0.000 0.000 0.285 759 L C 0.349 177.266 176.870 0.078 0.000 1.035 759 L CA -0.314 54.573 54.840 0.078 0.000 0.806 759 L CB 1.661 43.715 42.059 -0.010 0.000 1.214 759 L HN 0.640 nan 8.230 nan 0.000 0.426 760 E N 4.087 124.319 120.200 0.054 0.000 2.105 760 E HA 0.213 4.562 4.350 -0.000 0.000 0.285 760 E C -0.728 175.892 176.600 0.033 0.000 1.055 760 E CA -0.732 55.706 56.400 0.064 0.000 0.843 760 E CB 0.770 30.504 29.700 0.057 0.000 1.067 760 E HN 0.350 nan 8.360 nan 0.000 0.398 761 I N 4.088 124.670 120.570 0.021 0.000 2.294 761 I HA 0.397 4.567 4.170 -0.000 0.000 0.295 761 I C 0.106 176.241 176.117 0.031 0.000 1.098 761 I CA -0.012 61.285 61.300 -0.004 0.000 1.277 761 I CB -0.382 37.589 38.000 -0.048 0.000 1.434 761 I HN 0.470 nan 8.210 nan 0.000 0.498 762 A N 8.881 131.733 122.820 0.053 0.000 2.590 762 A HA 0.652 4.972 4.320 -0.000 0.000 0.294 762 A C -2.393 175.259 177.584 0.114 0.000 1.046 762 A CA -0.674 51.400 52.037 0.061 0.000 0.684 762 A CB 1.364 20.384 19.000 0.033 0.000 1.279 762 A HN 0.325 nan 8.150 nan 0.000 0.415 763 P HA 0.004 nan 4.420 nan 0.000 0.230 763 P C 0.018 177.612 177.300 0.490 0.000 1.158 763 P CA 1.540 64.786 63.100 0.244 0.000 0.769 763 P CB -0.016 31.744 31.700 0.100 0.000 0.807 764 H N -0.563 118.637 119.070 0.217 0.000 3.083 764 H HA 0.563 5.119 4.556 -0.000 0.000 0.339 764 H C -1.114 174.248 175.328 0.057 0.000 1.020 764 H CA -0.904 55.212 56.048 0.113 0.000 1.360 764 H CB 0.910 30.726 29.762 0.089 0.000 1.811 764 H HN -0.159 nan 8.280 nan 0.000 0.493 765 A N 5.467 128.012 122.820 -0.459 0.000 3.026 765 A HA 0.150 4.470 4.320 -0.000 0.000 0.272 765 A C 1.193 178.464 177.584 -0.522 0.000 1.782 765 A CA -0.205 51.632 52.037 -0.333 0.000 1.451 765 A CB -0.984 17.960 19.000 -0.092 0.000 1.081 765 A HN 0.747 nan 8.150 nan 0.000 0.611 766 L N 1.963 122.905 121.223 -0.468 0.000 2.093 766 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 766 L C 1.821 178.600 176.870 -0.151 0.000 1.085 766 L CA 1.727 56.400 54.840 -0.278 0.000 0.755 766 L CB -0.185 41.805 42.059 -0.114 0.000 0.904 766 L HN 0.642 nan 8.230 nan 0.000 0.435 767 L N -0.754 120.391 121.223 -0.130 0.000 2.599 767 L HA -0.021 4.319 4.340 -0.000 0.000 0.230 767 L C 2.234 179.107 176.870 0.005 0.000 1.141 767 L CA -0.187 54.613 54.840 -0.066 0.000 0.877 767 L CB -0.538 41.487 42.059 -0.057 0.000 1.009 767 L HN 0.328 nan 8.230 nan 0.000 0.447 768 Q N 0.714 120.503 119.800 -0.018 0.000 2.062 768 Q HA -0.272 4.068 4.340 -0.000 0.000 0.209 768 Q C 2.456 178.471 176.000 0.024 0.000 0.996 768 Q CA 2.230 58.040 55.803 0.012 0.000 0.859 768 Q CB -0.391 28.350 28.738 0.005 0.000 0.920 768 Q HN 0.584 nan 8.270 nan 0.000 0.415 769 A N 0.214 123.042 122.820 0.014 0.000 1.898 769 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 769 A C 2.487 180.090 177.584 0.031 0.000 1.181 769 A CA 1.442 53.488 52.037 0.016 0.000 0.620 769 A CB -0.666 18.337 19.000 0.005 0.000 0.819 769 A HN 0.213 nan 8.150 nan 0.000 0.442 770 V N 0.110 120.053 119.914 0.049 0.000 2.343 770 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 770 V C 2.572 178.736 176.094 0.117 0.000 1.051 770 V CA 1.976 64.333 62.300 0.095 0.000 1.036 770 V CB -0.664 31.238 31.823 0.131 0.000 0.654 770 V HN 0.574 nan 8.190 nan 0.000 0.451 771 L N -0.808 120.488 121.223 0.121 0.000 2.017 771 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 771 L C 2.599 179.483 176.870 0.023 0.000 1.073 771 L CA 1.668 56.561 54.840 0.088 0.000 0.745 771 L CB -0.494 41.623 42.059 0.095 0.000 0.894 771 L HN 0.237 nan 8.230 nan 0.000 0.432 772 K N -0.054 120.359 120.400 0.021 0.000 2.032 772 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 772 K C 2.166 178.764 176.600 -0.004 0.000 1.048 772 K CA 1.467 57.755 56.287 0.002 0.000 0.927 772 K CB -0.132 32.371 32.500 0.006 0.000 0.712 772 K HN 0.173 nan 8.250 nan 0.000 0.441 773 R N -1.080 119.426 120.500 0.010 0.000 2.081 773 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 773 R C 2.296 178.604 176.300 0.014 0.000 1.131 773 R CA 1.443 57.551 56.100 0.013 0.000 0.960 773 R CB -0.392 29.922 30.300 0.023 0.000 0.856 773 R HN 0.313 nan 8.270 nan 0.000 0.436 774 G N 0.356 109.160 108.800 0.005 0.000 2.880 774 G HA2 0.115 4.075 3.960 -0.000 0.000 0.209 774 G HA3 0.115 4.075 3.960 -0.000 0.000 0.209 774 G C 0.519 175.389 174.900 -0.049 0.000 1.157 774 G CA -0.137 44.958 45.100 -0.009 0.000 0.779 774 G HN -0.020 nan 8.290 nan 0.000 0.539 775 L N 0.271 121.444 121.223 -0.083 0.000 2.352 775 L HA 0.398 4.738 4.340 -0.000 0.000 0.269 775 L C 0.153 176.927 176.870 -0.161 0.000 1.034 775 L CA -1.022 53.726 54.840 -0.153 0.000 0.806 775 L CB 1.608 43.576 42.059 -0.151 0.000 1.244 775 L HN -0.058 nan 8.230 nan 0.000 0.447 776 K N 1.762 122.020 120.400 -0.238 0.000 2.469 776 K HA 0.035 4.355 4.320 -0.000 0.000 0.274 776 K C -1.690 174.809 176.600 -0.169 0.000 0.983 776 K CA -1.089 55.055 56.287 -0.238 0.000 0.974 776 K CB 0.285 32.597 32.500 -0.312 0.000 0.913 776 K HN 0.291 nan 8.250 nan 0.000 0.493 777 P HA -0.137 nan 4.420 nan 0.000 0.225 777 P C 0.692 177.942 177.300 -0.083 0.000 1.148 777 P CA 0.974 64.020 63.100 -0.090 0.000 0.779 777 P CB 0.195 31.853 31.700 -0.070 0.000 0.780 778 S N -2.758 112.864 115.700 -0.131 0.000 2.603 778 S HA 0.012 4.482 4.470 -0.000 0.000 0.220 778 S C 0.761 175.334 174.600 -0.045 0.000 0.967 778 S CA -0.300 57.844 58.200 -0.094 0.000 0.920 778 S CB -1.371 61.643 63.200 -0.310 0.000 0.773 778 S HN 0.017 nan 8.310 nan 0.000 0.529 779 C N 2.388 121.638 119.300 -0.083 0.000 2.539 779 C HA 0.592 5.052 4.460 -0.000 0.000 0.392 779 C C 0.804 175.782 174.990 -0.021 0.000 1.269 779 C CA -0.484 58.498 59.018 -0.061 0.000 2.250 779 C CB 0.478 28.152 27.740 -0.110 0.000 2.584 779 C HN 0.420 nan 8.230 nan 0.000 0.589 780 T N 3.686 118.239 114.554 -0.000 0.000 2.758 780 T HA 0.506 4.856 4.350 -0.000 0.000 0.285 780 T C -0.343 174.364 174.700 0.011 0.000 0.981 780 T CA 0.036 62.140 62.100 0.007 0.000 0.965 780 T CB 0.325 69.199 68.868 0.011 0.000 0.927 780 T HN 0.400 nan 8.240 nan 0.000 0.448 781 I N 4.505 125.080 120.570 0.008 0.000 2.330 781 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 781 I C -0.399 175.724 176.117 0.010 0.000 1.001 781 I CA -0.581 60.730 61.300 0.018 0.000 1.193 781 I CB 1.093 39.105 38.000 0.019 0.000 1.345 781 I HN 0.462 nan 8.210 nan 0.000 0.461 782 I N 8.664 129.239 120.570 0.007 0.000 2.382 782 I HA 0.385 4.555 4.170 -0.000 0.000 0.286 782 I C -2.355 173.755 176.117 -0.012 0.000 1.002 782 I CA -1.954 59.327 61.300 -0.031 0.000 1.135 782 I CB 1.933 39.888 38.000 -0.074 0.000 1.288 782 I HN 0.286 nan 8.210 nan 0.000 0.448 783 P HA 0.285 nan 4.420 nan 0.000 0.282 783 P C -0.045 177.330 177.300 0.125 0.000 1.249 783 P CA -0.346 62.825 63.100 0.118 0.000 0.806 783 P CB 2.080 33.935 31.700 0.257 0.000 0.984 784 L N 0.740 122.092 121.223 0.214 0.000 2.642 784 L HA 0.347 4.687 4.340 -0.000 0.000 0.233 784 L C 1.063 178.220 176.870 0.479 0.000 1.077 784 L CA 0.588 55.575 54.840 0.245 0.000 0.879 784 L CB 0.154 42.349 42.059 0.226 0.000 1.151 784 L HN 0.349 nan 8.230 nan 0.000 0.495 785 M N -0.439 119.409 119.600 0.414 0.000 2.520 785 M HA 0.367 4.847 4.480 -0.000 0.000 0.283 785 M C -1.219 175.062 176.300 -0.032 0.000 1.237 785 M CA -0.394 55.050 55.300 0.240 0.000 0.885 785 M CB 3.549 36.285 32.600 0.226 0.000 1.727 785 M HN -0.237 nan 8.290 nan 0.000 0.468 786 K N 2.176 122.373 120.400 -0.339 0.000 2.443 786 K HA 0.377 4.697 4.320 -0.000 0.000 0.252 786 K C -1.161 175.173 176.600 -0.443 0.000 0.933 786 K CA -0.661 55.412 56.287 -0.357 0.000 0.792 786 K CB 2.324 34.331 32.500 -0.822 0.000 1.185 786 K HN 0.729 nan 8.250 nan 0.000 0.425 787 K N 3.301 123.324 120.400 -0.628 0.000 2.484 787 K HA -0.111 4.209 4.320 -0.000 0.000 0.280 787 K C -0.574 175.227 176.600 -1.332 0.000 1.013 787 K CA 0.901 56.161 56.287 -1.711 0.000 1.029 787 K CB 0.241 31.808 32.500 -1.556 0.000 0.902 787 K HN 0.648 nan 8.250 nan 0.000 0.481 788 D N 1.077 120.406 120.400 -1.786 0.000 3.077 788 D HA -0.236 4.404 4.640 -0.000 0.000 0.217 788 D C -0.182 175.890 176.300 -0.380 0.000 1.162 788 D CA 0.951 54.510 54.000 -0.734 0.000 0.943 788 D CB -1.252 39.291 40.800 -0.428 0.000 1.122 788 D HN 0.716 nan 8.370 nan 0.000 0.413 789 H N 0.907 119.700 119.070 -0.462 0.000 2.972 789 H HA 0.057 4.612 4.556 -0.000 0.000 0.343 789 H C 1.512 176.795 175.328 -0.074 0.000 1.054 789 H CA 0.812 56.717 56.048 -0.238 0.000 1.412 789 H CB 0.818 30.421 29.762 -0.265 0.000 1.385 789 H HN -0.053 nan 8.280 nan 0.000 0.600 790 R N 1.830 122.188 120.500 -0.236 0.000 2.091 790 R HA -0.069 4.270 4.340 -0.000 0.000 0.238 790 R C 0.219 176.641 176.300 0.203 0.000 1.136 790 R CA 1.533 57.620 56.100 -0.022 0.000 0.959 790 R CB 0.093 30.328 30.300 -0.108 0.000 0.856 790 R HN 0.463 nan 8.270 nan 0.000 0.437 791 D N -0.886 119.830 120.400 0.527 0.000 2.337 791 D HA 0.159 4.799 4.640 -0.000 0.000 0.238 791 D C -0.400 176.064 176.300 0.273 0.000 1.331 791 D CA -0.294 53.920 54.000 0.357 0.000 0.967 791 D CB 0.037 40.988 40.800 0.252 0.000 1.382 791 D HN -0.162 nan 8.370 nan 0.000 0.549 792 N N 1.871 120.665 118.700 0.158 0.000 2.364 792 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 792 N C 1.686 177.252 175.510 0.094 0.000 1.022 792 N CA 0.283 53.354 53.050 0.034 0.000 0.883 792 N CB 0.218 38.758 38.487 0.089 0.000 0.965 792 N HN 0.427 nan 8.380 nan 0.000 0.438 793 L N 1.816 123.089 121.223 0.084 0.000 2.046 793 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 793 L C 1.825 178.812 176.870 0.196 0.000 1.077 793 L CA 1.723 56.628 54.840 0.108 0.000 0.747 793 L CB -0.545 41.566 42.059 0.088 0.000 0.896 793 L HN 0.097 nan 8.230 nan 0.000 0.432 794 E N -1.390 118.915 120.200 0.175 0.000 2.072 794 E HA -0.243 4.107 4.350 -0.000 0.000 0.191 794 E C 2.070 178.748 176.600 0.130 0.000 0.985 794 E CA 1.354 57.857 56.400 0.171 0.000 0.801 794 E CB -0.324 29.498 29.700 0.203 0.000 0.750 794 E HN 0.496 nan 8.360 nan 0.000 0.452 795 F N 0.650 120.531 119.950 -0.114 0.000 2.134 795 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 795 F C 1.996 177.757 175.800 -0.065 0.000 1.097 795 F CA 1.262 59.145 58.000 -0.194 0.000 1.264 795 F CB -0.165 38.513 39.000 -0.537 0.000 1.001 795 F HN -0.015 nan 8.300 nan 0.000 0.479 796 F N 0.419 120.369 119.950 0.001 0.000 2.146 796 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 796 F C 1.870 177.591 175.800 -0.132 0.000 1.096 796 F CA 1.653 59.612 58.000 -0.069 0.000 1.275 796 F CB -0.529 38.439 39.000 -0.054 0.000 1.008 796 F HN -0.092 nan 8.300 nan 0.000 0.480 797 L N -0.029 121.175 121.223 -0.031 0.000 2.131 797 L HA -0.166 4.173 4.340 -0.000 0.000 0.210 797 L C 2.766 179.454 176.870 -0.304 0.000 1.092 797 L CA 1.004 55.770 54.840 -0.124 0.000 0.759 797 L CB -1.130 40.989 42.059 0.099 0.000 0.903 797 L HN 0.273 nan 8.230 nan 0.000 0.435 798 A N 0.271 122.920 122.820 -0.285 0.000 1.930 798 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 798 A C 2.393 179.614 177.584 -0.605 0.000 1.175 798 A CA 1.576 53.384 52.037 -0.381 0.000 0.627 798 A CB -1.038 17.846 19.000 -0.192 0.000 0.815 798 A HN 0.430 nan 8.150 nan 0.000 0.443 799 G N -0.079 108.369 108.800 -0.587 0.000 2.408 799 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 799 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 799 G C 1.308 175.893 174.900 -0.524 0.000 1.150 799 G CA 1.025 45.801 45.100 -0.540 0.000 0.776 799 G HN 0.362 nan 8.290 nan 0.000 0.542 800 I N 1.960 122.164 120.570 -0.609 0.000 2.394 800 I HA -0.029 4.141 4.170 -0.000 0.000 0.251 800 I C 2.917 178.788 176.117 -0.410 0.000 1.136 800 I CA 0.998 62.015 61.300 -0.472 0.000 1.425 800 I CB -1.466 36.261 38.000 -0.454 0.000 1.079 800 I HN 0.206 nan 8.210 nan 0.000 0.425 801 G N 0.695 109.090 108.800 -0.676 0.000 2.402 801 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 801 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 801 G C 1.899 176.398 174.900 -0.668 0.000 1.162 801 G CA 0.142 44.621 45.100 -1.034 0.000 0.777 801 G HN 0.262 nan 8.290 nan 0.000 0.539 802 R N -0.700 119.438 120.500 -0.604 0.000 2.096 802 R HA 0.015 4.355 4.340 -0.000 0.000 0.235 802 R C 2.469 178.696 176.300 -0.121 0.000 1.127 802 R CA 0.768 56.743 56.100 -0.207 0.000 0.968 802 R CB -0.520 29.673 30.300 -0.178 0.000 0.861 802 R HN 0.336 nan 8.270 nan 0.000 0.440 803 L N 0.305 121.433 121.223 -0.159 0.000 2.012 803 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 803 L C 2.266 179.124 176.870 -0.021 0.000 1.073 803 L CA 2.035 56.828 54.840 -0.079 0.000 0.748 803 L CB -0.809 41.194 42.059 -0.093 0.000 0.891 803 L HN 0.187 nan 8.230 nan 0.000 0.431 804 H N -0.883 118.127 119.070 -0.099 0.000 2.319 804 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 804 H C 2.123 177.449 175.328 -0.004 0.000 1.092 804 H CA 2.134 58.158 56.048 -0.040 0.000 1.302 804 H CB -0.245 29.500 29.762 -0.027 0.000 1.373 804 H HN 0.341 nan 8.280 nan 0.000 0.497 805 L N 0.092 121.303 121.223 -0.020 0.000 2.187 805 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 805 L C 2.437 179.250 176.870 -0.095 0.000 1.100 805 L CA 1.519 56.333 54.840 -0.044 0.000 0.765 805 L CB -0.676 41.429 42.059 0.076 0.000 0.904 805 L HN 0.460 nan 8.230 nan 0.000 0.437 806 S N -0.760 114.893 115.700 -0.079 0.000 2.562 806 S HA 0.100 4.570 4.470 -0.000 0.000 0.221 806 S C 1.504 176.050 174.600 -0.090 0.000 0.975 806 S CA 0.515 58.675 58.200 -0.066 0.000 0.918 806 S CB 0.365 63.546 63.200 -0.032 0.000 0.772 806 S HN 0.579 nan 8.310 nan 0.000 0.531 807 G N 0.680 109.395 108.800 -0.141 0.000 2.159 807 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.227 807 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.227 807 G C -0.058 174.793 174.900 -0.082 0.000 0.986 807 G CA 0.037 45.055 45.100 -0.137 0.000 0.651 807 G HN 0.489 nan 8.290 nan 0.000 0.523 808 I N 1.210 121.749 120.570 -0.052 0.000 2.428 808 I HA 0.379 4.549 4.170 -0.000 0.000 0.296 808 I C -0.488 175.650 176.117 0.035 0.000 0.985 808 I CA -0.678 60.621 61.300 -0.003 0.000 1.260 808 I CB 1.253 39.263 38.000 0.016 0.000 1.389 808 I HN -0.085 nan 8.210 nan 0.000 0.484 809 D N 5.040 125.470 120.400 0.049 0.000 2.274 809 D HA 0.580 5.220 4.640 -0.000 0.000 0.239 809 D C -0.252 176.089 176.300 0.069 0.000 1.104 809 D CA 0.020 54.072 54.000 0.087 0.000 0.840 809 D CB 1.752 42.593 40.800 0.068 0.000 1.100 809 D HN 0.642 nan 8.370 nan 0.000 0.477 810 A N 2.904 125.768 122.820 0.074 0.000 2.547 810 A HA 0.247 4.567 4.320 -0.000 0.000 0.279 810 A C -0.619 176.978 177.584 0.023 0.000 1.088 810 A CA -0.871 51.190 52.037 0.040 0.000 0.796 810 A CB 0.673 19.684 19.000 0.018 0.000 1.308 810 A HN 0.314 nan 8.150 nan 0.000 0.415 811 N N 4.213 122.931 118.700 0.029 0.000 2.401 811 N HA 0.259 4.999 4.740 -0.000 0.000 0.255 811 N C -1.554 173.985 175.510 0.050 0.000 1.110 811 N CA -1.922 51.143 53.050 0.025 0.000 0.949 811 N CB 1.430 39.937 38.487 0.034 0.000 1.110 811 N HN 0.345 nan 8.380 nan 0.000 0.490 812 P HA -0.030 nan 4.420 nan 0.000 0.230 812 P C 0.562 177.999 177.300 0.230 0.000 1.158 812 P CA 0.527 63.710 63.100 0.139 0.000 0.769 812 P CB 0.538 32.331 31.700 0.155 0.000 0.807 813 N N 1.323 120.126 118.700 0.171 0.000 2.094 813 N HA -0.158 4.582 4.740 -0.000 0.000 0.191 813 N C 1.855 177.473 175.510 0.180 0.000 1.023 813 N CA 1.777 54.945 53.050 0.196 0.000 0.857 813 N CB -1.083 37.479 38.487 0.125 0.000 1.013 813 N HN 0.119 nan 8.380 nan 0.000 0.426 814 A N 0.372 123.256 122.820 0.106 0.000 2.131 814 A HA -0.049 4.271 4.320 -0.000 0.000 0.220 814 A C 2.142 179.725 177.584 -0.002 0.000 1.158 814 A CA 0.786 52.856 52.037 0.056 0.000 0.665 814 A CB -0.563 18.462 19.000 0.042 0.000 0.795 814 A HN 0.273 nan 8.150 nan 0.000 0.460 815 L N -2.187 119.004 121.223 -0.053 0.000 2.418 815 L HA 0.142 4.482 4.340 -0.000 0.000 0.218 815 L C 0.124 176.649 176.870 -0.574 0.000 1.125 815 L CA 0.069 54.710 54.840 -0.332 0.000 0.835 815 L CB -0.122 41.627 42.059 -0.516 0.000 0.953 815 L HN 0.308 nan 8.230 nan 0.000 0.454 816 F N -1.104 118.856 119.950 0.016 0.000 2.575 816 F HA 0.485 5.011 4.527 -0.000 0.000 0.330 816 F C -2.041 173.708 175.800 -0.085 0.000 1.056 816 F CA -2.967 55.019 58.000 -0.023 0.000 0.964 816 F CB -0.047 38.973 39.000 0.033 0.000 1.258 816 F HN -0.388 nan 8.300 nan 0.000 0.484 817 P HA 0.131 nan 4.420 nan 0.000 0.266 817 P C -2.528 174.755 177.300 -0.027 0.000 1.195 817 P CA -0.721 62.300 63.100 -0.132 0.000 0.768 817 P CB -0.280 31.164 31.700 -0.426 0.000 0.838 818 P HA 0.011 nan 4.420 nan 0.000 0.268 818 P C -0.462 176.832 177.300 -0.009 0.000 1.204 818 P CA 0.094 63.212 63.100 0.029 0.000 0.768 818 P CB 0.260 31.981 31.700 0.036 0.000 0.842 819 V N 3.157 123.047 119.914 -0.040 0.000 2.715 819 V HA 0.036 4.156 4.120 -0.000 0.000 0.299 819 V C 0.914 176.802 176.094 -0.343 0.000 1.054 819 V CA 0.058 62.230 62.300 -0.212 0.000 1.077 819 V CB 0.388 32.004 31.823 -0.346 0.000 0.972 819 V HN 0.522 nan 8.190 nan 0.000 0.484 820 E N 2.442 122.440 120.200 -0.338 0.000 2.313 820 E HA 0.474 4.824 4.350 -0.000 0.000 0.276 820 E C -1.132 175.186 176.600 -0.470 0.000 1.031 820 E CA 0.034 56.277 56.400 -0.261 0.000 0.857 820 E CB 0.707 30.332 29.700 -0.126 0.000 1.040 820 E HN 0.407 nan 8.360 nan 0.000 0.408 821 F N 3.356 123.304 119.950 -0.003 0.000 2.538 821 F HA 0.446 4.973 4.527 -0.000 0.000 0.325 821 F C -1.648 174.142 175.800 -0.017 0.000 1.066 821 F CA -2.137 55.855 58.000 -0.014 0.000 0.946 821 F CB 1.056 40.047 39.000 -0.015 0.000 1.199 821 F HN 0.377 nan 8.300 nan 0.000 0.473 822 P HA 0.350 nan 4.420 nan 0.000 0.274 822 P C -0.901 176.499 177.300 0.167 0.000 1.231 822 P CA -0.430 62.802 63.100 0.221 0.000 0.790 822 P CB 0.769 32.517 31.700 0.080 0.000 0.951 823 A N 3.965 126.945 122.820 0.266 0.000 2.507 823 A HA 0.325 4.644 4.320 -0.000 0.000 0.235 823 A C -2.034 175.545 177.584 -0.009 0.000 1.070 823 A CA -0.813 51.287 52.037 0.106 0.000 0.768 823 A CB -1.485 17.614 19.000 0.166 0.000 1.011 823 A HN 0.433 nan 8.150 nan 0.000 0.502 824 P HA 0.122 nan 4.420 nan 0.000 0.269 824 P C -0.018 177.227 177.300 -0.092 0.000 1.215 824 P CA -0.260 62.798 63.100 -0.070 0.000 0.780 824 P CB 0.397 32.050 31.700 -0.078 0.000 0.898 825 R N 1.593 122.036 120.500 -0.095 0.000 2.679 825 R HA 0.256 4.595 4.340 -0.000 0.000 0.268 825 R C 1.103 177.313 176.300 -0.149 0.000 1.044 825 R CA 1.172 57.201 56.100 -0.117 0.000 1.105 825 R CB -0.744 29.493 30.300 -0.104 0.000 0.989 825 R HN 0.815 nan 8.270 nan 0.000 0.447 826 G N 2.086 110.772 108.800 -0.190 0.000 2.199 826 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 826 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 826 G C 0.134 174.875 174.900 -0.265 0.000 0.982 826 G CA 0.384 45.335 45.100 -0.249 0.000 0.632 826 G HN 0.688 nan 8.290 nan 0.000 0.529 827 T N 3.619 118.043 114.554 -0.217 0.000 2.905 827 T HA 0.389 4.739 4.350 -0.000 0.000 0.299 827 T C -1.690 172.817 174.700 -0.322 0.000 1.024 827 T CA 0.215 62.177 62.100 -0.231 0.000 1.151 827 T CB 0.966 69.779 68.868 -0.093 0.000 0.987 827 T HN 0.199 nan 8.240 nan 0.000 0.535 828 P HA 0.078 nan 4.420 nan 0.000 0.266 828 P C 0.056 177.215 177.300 -0.235 0.000 1.193 828 P CA -0.208 62.514 63.100 -0.629 0.000 0.770 828 P CB 0.343 31.216 31.700 -1.378 0.000 0.836 829 L N 2.854 124.024 121.223 -0.088 0.000 2.483 829 L HA 0.094 4.434 4.340 -0.000 0.000 0.276 829 L C 1.669 178.649 176.870 0.183 0.000 1.213 829 L CA 0.286 55.181 54.840 0.092 0.000 0.843 829 L CB -0.038 42.090 42.059 0.115 0.000 1.107 829 L HN 0.432 nan 8.230 nan 0.000 0.487 830 I N 0.024 120.721 120.570 0.212 0.000 3.718 830 I HA -0.122 4.048 4.170 -0.000 0.000 0.297 830 I C 2.339 178.557 176.117 0.169 0.000 1.220 830 I CA 0.708 62.136 61.300 0.213 0.000 1.381 830 I CB 0.335 38.435 38.000 0.166 0.000 1.238 830 I HN 0.865 nan 8.210 nan 0.000 0.448 831 S N 2.094 117.899 115.700 0.176 0.000 2.387 831 S HA -0.098 4.372 4.470 -0.000 0.000 0.230 831 S C -0.648 174.059 174.600 0.178 0.000 1.035 831 S CA 1.142 59.453 58.200 0.184 0.000 1.014 831 S CB -1.984 61.332 63.200 0.194 0.000 0.836 831 S HN 0.234 nan 8.310 nan 0.000 0.466 832 P HA 0.172 nan 4.420 nan 0.000 0.237 832 P C 0.961 178.339 177.300 0.130 0.000 1.178 832 P CA 0.559 63.754 63.100 0.158 0.000 0.766 832 P CB -0.166 31.630 31.700 0.159 0.000 0.876 833 L N -1.562 119.732 121.223 0.119 0.000 2.509 833 L HA 0.092 4.431 4.340 -0.000 0.000 0.222 833 L C 0.685 177.563 176.870 0.013 0.000 1.123 833 L CA -0.056 54.834 54.840 0.083 0.000 0.856 833 L CB -0.258 41.870 42.059 0.114 0.000 0.985 833 L HN -0.080 nan 8.230 nan 0.000 0.456 834 I N 1.687 122.261 120.570 0.006 0.000 2.396 834 I HA 0.155 4.325 4.170 -0.000 0.000 0.289 834 I C 0.187 176.155 176.117 -0.248 0.000 1.056 834 I CA 0.297 61.509 61.300 -0.146 0.000 1.365 834 I CB 0.519 38.469 38.000 -0.084 0.000 1.407 834 I HN 0.017 nan 8.210 nan 0.000 0.509 835 K N 5.477 125.620 120.400 -0.429 0.000 2.318 835 K HA 0.517 4.837 4.320 -0.000 0.000 0.249 835 K C -1.027 175.146 176.600 -0.711 0.000 0.942 835 K CA -0.515 55.546 56.287 -0.376 0.000 0.808 835 K CB 2.517 34.898 32.500 -0.198 0.000 1.189 835 K HN 0.415 nan 8.250 nan 0.000 0.428 836 W N -0.063 121.023 121.300 -0.357 0.000 2.804 836 W HA 0.227 4.886 4.660 -0.000 0.000 0.352 836 W C 0.117 176.394 176.519 -0.403 0.000 1.153 836 W CA -0.499 56.565 57.345 -0.469 0.000 1.119 836 W CB 0.642 29.663 29.460 -0.730 0.000 1.448 836 W HN 0.413 nan 8.180 nan 0.000 0.600 837 D N 0.639 121.061 120.400 0.036 0.000 2.422 837 D HA 0.083 4.723 4.640 -0.000 0.000 0.227 837 D C -0.449 175.970 176.300 0.199 0.000 1.190 837 D CA 0.189 54.231 54.000 0.070 0.000 0.905 837 D CB -0.144 40.717 40.800 0.101 0.000 1.034 837 D HN 0.470 nan 8.370 nan 0.000 0.507 838 H N 1.436 120.593 119.070 0.145 0.000 2.539 838 H HA 0.102 4.658 4.556 -0.000 0.000 0.293 838 H C 1.542 176.910 175.328 0.068 0.000 1.156 838 H CA -0.287 55.843 56.048 0.136 0.000 1.012 838 H CB 0.709 30.562 29.762 0.152 0.000 1.600 838 H HN 0.326 nan 8.280 nan 0.000 0.538 839 S N -0.002 115.788 115.700 0.150 0.000 2.395 839 S HA -0.001 4.469 4.470 -0.000 0.000 0.225 839 S C 0.877 175.458 174.600 -0.032 0.000 1.027 839 S CA 0.087 58.318 58.200 0.051 0.000 0.965 839 S CB 0.135 63.353 63.200 0.030 0.000 0.812 839 S HN 0.238 nan 8.310 nan 0.000 0.482 840 L N 1.729 122.898 121.223 -0.090 0.000 2.439 840 L HA 0.608 4.948 4.340 -0.000 0.000 0.261 840 L C 0.232 176.840 176.870 -0.437 0.000 1.153 840 L CA -0.545 54.084 54.840 -0.351 0.000 0.808 840 L CB 0.808 42.478 42.059 -0.648 0.000 1.126 840 L HN 0.308 nan 8.230 nan 0.000 0.460 841 A N 2.062 124.583 122.820 -0.499 0.000 2.291 841 A HA 0.550 4.870 4.320 -0.000 0.000 0.311 841 A C -1.443 175.920 177.584 -0.368 0.000 1.224 841 A CA -0.473 51.379 52.037 -0.309 0.000 0.821 841 A CB 0.295 19.220 19.000 -0.125 0.000 1.172 841 A HN 0.645 nan 8.150 nan 0.000 0.494 842 W N 1.040 122.366 121.300 0.042 0.000 2.436 842 W HA 0.416 5.077 4.660 0.000 0.000 0.347 842 W C -0.266 176.360 176.519 0.178 0.000 1.136 842 W CA -0.338 57.027 57.345 0.033 0.000 1.286 842 W CB 0.665 30.070 29.460 -0.093 0.000 1.253 842 W HN 0.565 nan 8.180 nan 0.000 0.617 843 D N 0.985 121.795 120.400 0.683 0.000 2.525 843 D HA 0.169 4.809 4.640 -0.000 0.000 0.235 843 D C -0.499 175.940 176.300 0.231 0.000 1.137 843 D CA 0.546 54.769 54.000 0.371 0.000 0.868 843 D CB 0.704 41.700 40.800 0.328 0.000 1.180 843 D HN -0.050 nan 8.370 nan 0.000 0.465 844 V N 3.969 123.971 119.914 0.147 0.000 2.623 844 V HA 0.299 4.419 4.120 -0.000 0.000 0.304 844 V C -2.128 174.021 176.094 0.092 0.000 1.054 844 V CA -1.545 60.821 62.300 0.111 0.000 0.882 844 V CB 1.964 33.845 31.823 0.096 0.000 1.002 844 V HN 0.449 nan 8.190 nan 0.000 0.424 845 P HA 0.416 nan 4.420 nan 0.000 0.269 845 P C -0.519 176.842 177.300 0.101 0.000 1.209 845 P CA 0.065 63.195 63.100 0.051 0.000 0.776 845 P CB 0.606 32.341 31.700 0.058 0.000 0.876 846 A N 1.719 124.563 122.820 0.041 0.000 2.294 846 A HA 0.596 4.916 4.320 -0.000 0.000 0.330 846 A C 1.443 179.139 177.584 0.187 0.000 1.133 846 A CA -0.009 52.092 52.037 0.106 0.000 0.836 846 A CB 0.710 19.742 19.000 0.054 0.000 1.190 846 A HN 0.523 nan 8.150 nan 0.000 0.492 847 A N 0.366 123.357 122.820 0.285 0.000 1.948 847 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 847 A C 1.656 179.414 177.584 0.291 0.000 1.177 847 A CA 2.022 54.294 52.037 0.392 0.000 0.636 847 A CB -0.775 18.434 19.000 0.350 0.000 0.815 847 A HN 0.962 nan 8.150 nan 0.000 0.449 848 E N -0.606 119.677 120.200 0.138 0.000 2.478 848 E HA -0.126 4.223 4.350 -0.000 0.000 0.198 848 E C 0.191 176.777 176.600 -0.023 0.000 1.046 848 E CA 0.839 57.281 56.400 0.069 0.000 0.870 848 E CB -0.264 29.459 29.700 0.040 0.000 0.818 848 E HN 0.442 nan 8.360 nan 0.000 0.527 849 D N 0.185 120.486 120.400 -0.165 0.000 2.363 849 D HA 0.056 4.696 4.640 -0.000 0.000 0.226 849 D C -0.480 175.484 176.300 -0.559 0.000 1.020 849 D CA 0.470 54.235 54.000 -0.392 0.000 0.892 849 D CB -0.019 40.465 40.800 -0.527 0.000 0.900 849 D HN 0.135 nan 8.370 nan 0.000 0.531 850 F N 0.482 120.452 119.950 0.032 0.000 2.470 850 F HA 0.388 4.915 4.527 -0.000 0.000 0.329 850 F C -1.741 174.067 175.800 0.013 0.000 1.072 850 F CA -2.883 55.129 58.000 0.019 0.000 0.989 850 F CB 0.339 39.351 39.000 0.020 0.000 1.193 850 F HN -0.324 nan 8.300 nan 0.000 0.481 851 P HA 0.123 nan 4.420 nan 0.000 0.266 851 P C -1.174 176.173 177.300 0.078 0.000 1.195 851 P CA -0.210 62.943 63.100 0.089 0.000 0.768 851 P CB 0.324 32.057 31.700 0.055 0.000 0.838 852 N N 0.000 118.732 118.700 0.054 0.000 1.763 852 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 852 N CA 0.000 53.079 53.050 0.049 0.000 0.885 852 N CB 0.000 38.571 38.487 0.140 0.000 1.341 852 N HN 0.000 nan 8.380 nan 0.000 0.667