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 2wyh_1_B DATA FIRST_RESID 3 DATA SEQUENCE TKKVHIISHS HWDREWYMAY EQHHMRLINL IDDLLEVFQT DPDFHSFHLD DATA SEQUENCE GQTIILDDYL KVRPEREPEI RQAIASGKLR IGPFYILQDD FLTSSESNVR DATA SEQUENCE NMLIGKEDCD RWGASVPLGY FPDTFGNMGQ TPQLMLKAGL QAAAFGRGIR DATA SEQUENCE PTGFNNQVDT SEKYSSQFSE ISWQGPDNSR ILGLLFANWY SNGNEIPTTE DATA SEQUENCE AEARLFWDKK LADAERFAST KHLLMMNGCD HQPVQLDVTK AIALANQLYP DATA SEQUENCE DYEFVHSCFE DYLADLADDL PENLSTVQGE ITSQETDGWY TLANTASARI DATA SEQUENCE YLKQANTRVS RQLENITEPL AAMAYEVTST YPHDQLRYAW KTLMQNHPHD DATA SEQUENCE SICGCSVDSV HREMMTRFEK AYEVGHYLAK EAAKQIADAI DTRDFPMDSQ DATA SEQUENCE PFVLFNTSGH SKTSVAELSL TWKKYHFGQR FPKEVYQEAQ EYLARLSQSF DATA SEQUENCE QIIDTSGQVR PEAEILGTSI AFDYDLPKRS FREPYFAIKV RLRLPITLPA DATA SEQUENCE MSWKTLALKL GXXXXXXXXV SLYDDSNQCL ENGFLKVMIQ TDGRLTITDK DATA SEQUENCE QSGLIYQDLL RFEDCGDIGN EYISRQPNHD QPFYADQGTI KLNIISNTAQ DATA SEQUENCE VAELEIQQTF AIPISADKLL QAEMEAVIDI TERQARRSQE KAELTLTTLI DATA SEQUENCE RMEKNNPRLQ FTTRFDNQMT NHRLRVLFPT HLKTDHHLAD SIFETVKRPN DATA SEQUENCE HPDATFWKNP SNPQHQECFV SLFDGENGVT IGNYGLNEYE ILPDTNTIAI DATA SEQUENCE TLLRSVGEMG DWGYFPTPEA QCLGKHSLSY SFESITKQTQ FASYWRAQEG DATA SEQUENCE QVPVITTQTN QHEGTLAAEY SYLTGTNDQV ALTAFKRRLA DNALITRSYN DATA SEQUENCE LSNDKTCDFS LSLPNYNAKV TNLLEKDSKQ STPSQLGKAE ILTLAWKKQ 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.486 174.700 -0.356 0.000 1.109 3 T CA 0.000 61.914 62.100 -0.311 0.000 1.349 3 T CB 0.000 68.748 68.868 -0.200 0.000 0.612 4 K N 2.972 123.060 120.400 -0.521 0.000 2.098 4 K HA 0.495 4.815 4.320 -0.000 0.000 0.261 4 K C -0.093 176.311 176.600 -0.327 0.000 0.987 4 K CA -0.836 55.203 56.287 -0.415 0.000 0.916 4 K CB 1.761 34.009 32.500 -0.420 0.000 1.039 4 K HN 0.521 nan 8.250 nan 0.000 0.455 5 K N 1.492 121.745 120.400 -0.246 0.000 2.339 5 K HA 0.244 4.564 4.320 -0.000 0.000 0.264 5 K C -1.096 175.461 176.600 -0.072 0.000 0.986 5 K CA -0.539 55.641 56.287 -0.179 0.000 0.866 5 K CB 1.058 33.512 32.500 -0.076 0.000 1.103 5 K HN 0.238 nan 8.250 nan 0.000 0.441 6 V N 5.747 125.512 119.914 -0.248 0.000 2.304 6 V HA 0.159 4.279 4.120 -0.000 0.000 0.269 6 V C -0.135 175.926 176.094 -0.055 0.000 1.036 6 V CA -0.729 61.470 62.300 -0.168 0.000 0.840 6 V CB 0.452 31.917 31.823 -0.597 0.000 1.036 6 V HN 0.749 nan 8.190 nan 0.000 0.466 7 H N 5.480 124.583 119.070 0.055 0.000 2.723 7 H HA 0.320 4.876 4.556 -0.000 0.000 0.294 7 H C -0.496 174.835 175.328 0.006 0.000 1.079 7 H CA -0.600 55.467 56.048 0.031 0.000 1.411 7 H CB 1.478 31.270 29.762 0.049 0.000 1.439 7 H HN 0.364 nan 8.280 nan 0.000 0.474 8 I N 5.911 126.569 120.570 0.146 0.000 2.304 8 I HA 0.155 4.325 4.170 -0.000 0.000 0.291 8 I C 0.628 176.800 176.117 0.091 0.000 1.018 8 I CA -0.405 61.001 61.300 0.176 0.000 1.260 8 I CB 0.337 38.488 38.000 0.252 0.000 1.390 8 I HN 0.430 nan 8.210 nan 0.000 0.475 9 I N 5.296 125.844 120.570 -0.037 0.000 2.330 9 I HA 0.210 4.379 4.170 -0.000 0.000 0.286 9 I C 0.456 176.565 176.117 -0.014 0.000 1.025 9 I CA -0.306 60.894 61.300 -0.166 0.000 1.197 9 I CB 0.962 38.629 38.000 -0.556 0.000 1.358 9 I HN 0.449 nan 8.210 nan 0.000 0.467 10 S N 5.517 121.243 115.700 0.044 0.000 2.549 10 S HA 0.322 4.792 4.470 -0.000 0.000 0.279 10 S C -0.361 174.002 174.600 -0.394 0.000 1.321 10 S CA -0.170 58.062 58.200 0.053 0.000 1.054 10 S CB 0.270 63.701 63.200 0.385 0.000 0.899 10 S HN 0.798 nan 8.310 nan 0.000 0.497 11 H N -0.903 117.801 119.070 -0.610 0.000 2.967 11 H HA 0.743 5.299 4.556 -0.000 0.000 0.318 11 H C -1.245 173.971 175.328 -0.188 0.000 1.375 11 H CA -0.888 54.697 56.048 -0.771 0.000 1.132 11 H CB 0.950 30.603 29.762 -0.181 0.000 1.848 11 H HN 0.427 nan 8.280 nan 0.000 0.524 12 S N 0.101 115.832 115.700 0.053 0.000 2.614 12 S HA 0.235 4.705 4.470 -0.000 0.000 0.288 12 S C -1.742 173.109 174.600 0.418 0.000 1.137 12 S CA -0.690 57.675 58.200 0.275 0.000 0.992 12 S CB 0.495 64.062 63.200 0.612 0.000 1.026 12 S HN 0.795 nan 8.310 nan 0.000 0.486 13 H N 4.298 123.483 119.070 0.192 0.000 2.911 13 H HA 0.261 4.817 4.556 -0.000 0.000 0.273 13 H C -0.873 174.441 175.328 -0.024 0.000 1.157 13 H CA -0.160 55.916 56.048 0.048 0.000 1.402 13 H CB 0.144 29.733 29.762 -0.288 0.000 1.463 13 H HN 0.592 nan 8.280 nan 0.000 0.475 14 W N 7.600 128.690 121.300 -0.351 0.000 2.243 14 W HA 0.186 4.845 4.660 -0.000 0.000 0.331 14 W C -0.991 175.328 176.519 -0.334 0.000 0.895 14 W CA -0.900 56.279 57.345 -0.278 0.000 1.580 14 W CB 0.501 29.963 29.460 0.002 0.000 1.568 14 W HN 0.632 nan 8.180 nan 0.000 0.372 15 D N 3.099 123.100 120.400 -0.665 0.000 2.472 15 D HA -0.094 4.546 4.640 -0.000 0.000 0.248 15 D C 1.478 177.673 176.300 -0.175 0.000 1.174 15 D CA 0.493 54.248 54.000 -0.408 0.000 0.883 15 D CB 1.153 41.722 40.800 -0.386 0.000 1.149 15 D HN 0.344 nan 8.370 nan 0.000 0.488 16 R N 2.225 122.688 120.500 -0.063 0.000 2.096 16 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 16 R C 0.295 176.672 176.300 0.128 0.000 1.127 16 R CA 1.170 57.357 56.100 0.145 0.000 0.968 16 R CB 0.336 30.683 30.300 0.077 0.000 0.861 16 R HN 0.682 nan 8.270 nan 0.000 0.440 17 E N -2.737 117.432 120.200 -0.052 0.000 2.354 17 E HA 0.158 4.508 4.350 -0.000 0.000 0.283 17 E C -1.166 175.436 176.600 0.003 0.000 0.938 17 E CA -0.948 55.456 56.400 0.007 0.000 0.777 17 E CB 0.859 30.637 29.700 0.130 0.000 1.222 17 E HN 0.107 nan 8.360 nan 0.000 0.423 18 W N 2.851 124.027 121.300 -0.206 0.000 4.483 18 W HA 0.126 4.786 4.660 -0.000 0.000 0.218 18 W C 0.209 176.733 176.519 0.008 0.000 3.472 18 W CA 0.451 57.744 57.345 -0.086 0.000 1.137 18 W CB -0.522 28.901 29.460 -0.062 0.000 2.116 18 W HN 0.619 nan 8.180 nan 0.000 0.349 19 Y N 1.261 121.429 120.300 -0.219 0.000 2.546 19 Y HA 0.546 5.096 4.550 -0.000 0.000 0.287 19 Y C 0.689 176.437 175.900 -0.253 0.000 1.158 19 Y CA 0.296 58.013 58.100 -0.637 0.000 1.307 19 Y CB -0.446 37.205 38.460 -1.348 0.000 1.036 19 Y HN -0.280 nan 8.280 nan 0.000 0.532 20 M N 0.486 119.931 119.600 -0.259 0.000 2.691 20 M HA 0.693 5.172 4.480 -0.000 0.000 0.293 20 M C -0.253 176.002 176.300 -0.074 0.000 1.259 20 M CA -1.237 53.907 55.300 -0.260 0.000 0.827 20 M CB 1.916 34.136 32.600 -0.633 0.000 1.753 20 M HN 0.010 nan 8.290 nan 0.000 0.465 21 A N 0.309 123.097 122.820 -0.053 0.000 2.466 21 A HA 0.071 4.390 4.320 -0.000 0.000 0.238 21 A C 0.521 178.179 177.584 0.123 0.000 1.074 21 A CA 0.003 52.066 52.037 0.043 0.000 0.774 21 A CB -0.162 18.856 19.000 0.030 0.000 1.015 21 A HN 0.948 nan 8.150 nan 0.000 0.498 22 Y N 0.566 120.912 120.300 0.078 0.000 2.096 22 Y HA -0.281 4.269 4.550 -0.000 0.000 0.278 22 Y C 1.979 177.975 175.900 0.161 0.000 1.192 22 Y CA 2.810 60.980 58.100 0.118 0.000 1.143 22 Y CB -0.046 38.435 38.460 0.035 0.000 0.963 22 Y HN 0.744 nan 8.280 nan 0.000 0.505 23 E N 0.393 120.512 120.200 -0.135 0.000 2.153 23 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 23 E C 2.108 178.622 176.600 -0.143 0.000 0.988 23 E CA 1.567 57.849 56.400 -0.197 0.000 0.811 23 E CB -0.338 29.355 29.700 -0.013 0.000 0.746 23 E HN 0.747 nan 8.360 nan 0.000 0.466 24 Q N -0.362 119.355 119.800 -0.139 0.000 2.079 24 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 24 Q C 2.141 178.015 176.000 -0.211 0.000 0.974 24 Q CA 0.995 56.682 55.803 -0.194 0.000 0.840 24 Q CB -0.172 28.401 28.738 -0.276 0.000 0.898 24 Q HN 0.469 nan 8.270 nan 0.000 0.430 25 H N -0.494 118.509 119.070 -0.112 0.000 2.357 25 H HA -0.103 4.453 4.556 -0.000 0.000 0.301 25 H C 1.980 177.459 175.328 0.251 0.000 1.082 25 H CA 1.382 57.419 56.048 -0.018 0.000 1.342 25 H CB -0.290 29.414 29.762 -0.096 0.000 1.389 25 H HN 0.460 nan 8.280 nan 0.000 0.511 26 H N 0.121 119.166 119.070 -0.042 0.000 2.353 26 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 26 H C 1.954 177.252 175.328 -0.051 0.000 1.103 26 H CA 1.018 56.959 56.048 -0.178 0.000 1.293 26 H CB 0.373 29.700 29.762 -0.725 0.000 1.372 26 H HN 0.107 nan 8.280 nan 0.000 0.501 27 M N 0.332 119.886 119.600 -0.077 0.000 2.175 27 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 27 M C 2.287 178.583 176.300 -0.007 0.000 1.063 27 M CA 1.265 56.492 55.300 -0.121 0.000 1.119 27 M CB -0.752 31.786 32.600 -0.104 0.000 1.377 27 M HN 0.300 nan 8.290 nan 0.000 0.415 28 R N -0.251 120.324 120.500 0.125 0.000 2.148 28 R HA -0.082 4.258 4.340 -0.000 0.000 0.223 28 R C 2.133 178.554 176.300 0.202 0.000 1.088 28 R CA 0.691 56.935 56.100 0.240 0.000 0.985 28 R CB -0.470 30.050 30.300 0.367 0.000 0.880 28 R HN 0.188 nan 8.270 nan 0.000 0.451 29 L N 1.075 122.367 121.223 0.116 0.000 2.046 29 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 29 L C 1.830 178.566 176.870 -0.223 0.000 1.077 29 L CA 1.625 56.190 54.840 -0.458 0.000 0.747 29 L CB -0.223 41.590 42.059 -0.410 0.000 0.896 29 L HN 0.061 nan 8.230 nan 0.000 0.432 30 I N 0.142 120.683 120.570 -0.049 0.000 2.208 30 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 30 I C 2.206 178.329 176.117 0.011 0.000 1.097 30 I CA 1.170 62.507 61.300 0.062 0.000 1.363 30 I CB -1.940 36.025 38.000 -0.057 0.000 1.051 30 I HN 0.381 nan 8.210 nan 0.000 0.413 31 N N 1.136 119.812 118.700 -0.040 0.000 2.069 31 N HA -0.193 4.547 4.740 -0.000 0.000 0.191 31 N C 1.929 177.361 175.510 -0.130 0.000 1.031 31 N CA 1.074 54.092 53.050 -0.054 0.000 0.852 31 N CB -0.719 37.764 38.487 -0.007 0.000 1.018 31 N HN 0.274 nan 8.380 nan 0.000 0.423 32 L N 1.299 122.409 121.223 -0.187 0.000 1.989 32 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 32 L C 1.888 178.497 176.870 -0.435 0.000 1.071 32 L CA 1.560 56.221 54.840 -0.298 0.000 0.749 32 L CB -0.612 41.205 42.059 -0.404 0.000 0.890 32 L HN 0.056 nan 8.230 nan 0.000 0.431 33 I N -0.248 120.033 120.570 -0.482 0.000 2.315 33 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 33 I C 2.200 177.991 176.117 -0.544 0.000 1.117 33 I CA 1.152 62.049 61.300 -0.672 0.000 1.404 33 I CB -1.666 35.628 38.000 -1.177 0.000 1.071 33 I HN 0.310 nan 8.210 nan 0.000 0.419 34 D N 1.391 121.621 120.400 -0.283 0.000 2.116 34 D HA -0.198 4.441 4.640 -0.000 0.000 0.193 34 D C 1.765 177.898 176.300 -0.278 0.000 0.998 34 D CA 1.419 55.315 54.000 -0.172 0.000 0.836 34 D CB -0.245 40.516 40.800 -0.065 0.000 0.951 34 D HN 0.298 nan 8.370 nan 0.000 0.449 35 D N -0.020 120.194 120.400 -0.310 0.000 2.144 35 D HA -0.075 4.564 4.640 -0.000 0.000 0.199 35 D C 2.377 178.343 176.300 -0.557 0.000 0.984 35 D CA 0.300 54.092 54.000 -0.348 0.000 0.834 35 D CB -0.271 40.359 40.800 -0.283 0.000 0.955 35 D HN 0.233 nan 8.370 nan 0.000 0.465 36 L N 0.198 120.978 121.223 -0.738 0.000 1.994 36 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 36 L C 2.576 178.536 176.870 -1.516 0.000 1.071 36 L CA 0.773 54.887 54.840 -1.210 0.000 0.745 36 L CB -0.449 40.950 42.059 -1.101 0.000 0.892 36 L HN 0.040 nan 8.230 nan 0.000 0.431 37 L N -0.369 120.320 121.223 -0.890 0.000 2.079 37 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 37 L C 2.608 179.254 176.870 -0.374 0.000 1.081 37 L CA 1.243 55.775 54.840 -0.514 0.000 0.752 37 L CB -0.485 41.431 42.059 -0.238 0.000 0.896 37 L HN 0.311 nan 8.230 nan 0.000 0.433 38 E N 0.146 120.124 120.200 -0.370 0.000 2.046 38 E HA -0.176 4.173 4.350 -0.000 0.000 0.190 38 E C 2.116 178.564 176.600 -0.254 0.000 0.982 38 E CA 1.224 57.479 56.400 -0.241 0.000 0.800 38 E CB -0.304 29.276 29.700 -0.199 0.000 0.756 38 E HN 0.140 nan 8.360 nan 0.000 0.449 39 V N 0.018 119.680 119.914 -0.421 0.000 2.515 39 V HA -0.170 3.950 4.120 -0.000 0.000 0.250 39 V C 1.624 177.603 176.094 -0.191 0.000 1.058 39 V CA 1.537 63.613 62.300 -0.373 0.000 1.064 39 V CB -0.592 30.884 31.823 -0.577 0.000 0.675 39 V HN 0.292 nan 8.190 nan 0.000 0.461 40 F N -0.084 119.720 119.950 -0.243 0.000 2.269 40 F HA -0.115 4.412 4.527 -0.000 0.000 0.301 40 F C 2.485 178.251 175.800 -0.056 0.000 1.082 40 F CA 0.983 58.911 58.000 -0.120 0.000 1.360 40 F CB -0.980 37.953 39.000 -0.111 0.000 1.041 40 F HN 0.278 nan 8.300 nan 0.000 0.512 41 Q N -0.490 119.362 119.800 0.086 0.000 2.165 41 Q HA -0.034 4.305 4.340 -0.000 0.000 0.197 41 Q C 2.356 178.378 176.000 0.036 0.000 0.952 41 Q CA 1.923 57.756 55.803 0.050 0.000 0.848 41 Q CB -0.991 27.754 28.738 0.011 0.000 0.931 41 Q HN 0.511 nan 8.270 nan 0.000 0.470 42 T N -1.999 112.562 114.554 0.012 0.000 3.054 42 T HA -0.000 4.350 4.350 -0.000 0.000 0.259 42 T C 0.387 175.115 174.700 0.047 0.000 1.092 42 T CA 0.541 62.649 62.100 0.014 0.000 1.121 42 T CB 0.186 69.045 68.868 -0.014 0.000 0.912 42 T HN -0.086 nan 8.240 nan 0.000 0.489 43 D N 2.255 122.705 120.400 0.082 0.000 2.408 43 D HA 0.327 4.967 4.640 -0.000 0.000 0.261 43 D C -1.801 174.615 176.300 0.193 0.000 1.190 43 D CA -2.633 51.452 54.000 0.142 0.000 0.910 43 D CB 1.902 42.818 40.800 0.193 0.000 1.097 43 D HN -0.030 nan 8.370 nan 0.000 0.522 44 P HA -0.064 nan 4.420 nan 0.000 0.225 44 P C 0.260 177.656 177.300 0.160 0.000 1.148 44 P CA 0.690 63.869 63.100 0.131 0.000 0.779 44 P CB 0.598 32.350 31.700 0.087 0.000 0.780 45 D N -1.215 119.297 120.400 0.186 0.000 2.349 45 D HA 0.017 4.656 4.640 -0.000 0.000 0.215 45 D C 0.353 176.829 176.300 0.293 0.000 1.016 45 D CA -0.082 54.032 54.000 0.191 0.000 0.870 45 D CB -0.538 40.344 40.800 0.137 0.000 0.917 45 D HN 0.189 nan 8.370 nan 0.000 0.524 46 F N 2.461 122.550 119.950 0.232 0.000 2.506 46 F HA -0.048 4.479 4.527 -0.000 0.000 0.369 46 F C 1.859 177.842 175.800 0.305 0.000 1.114 46 F CA 0.059 58.283 58.000 0.375 0.000 1.121 46 F CB 0.424 39.638 39.000 0.358 0.000 1.104 46 F HN -0.027 nan 8.300 nan 0.000 0.564 47 H N 3.543 122.693 119.070 0.134 0.000 2.276 47 H HA -0.013 4.543 4.556 -0.000 0.000 0.301 47 H C 0.410 175.690 175.328 -0.080 0.000 1.073 47 H CA 1.583 57.587 56.048 -0.074 0.000 1.311 47 H CB 0.373 29.972 29.762 -0.272 0.000 1.379 47 H HN 0.576 nan 8.280 nan 0.000 0.494 48 S N -1.652 114.011 115.700 -0.060 0.000 2.643 48 S HA 0.394 4.863 4.470 -0.000 0.000 0.266 48 S C -1.617 173.198 174.600 0.357 0.000 1.130 48 S CA -0.981 57.269 58.200 0.083 0.000 0.817 48 S CB 1.676 64.886 63.200 0.018 0.000 1.107 48 S HN 0.196 nan 8.310 nan 0.000 0.471 49 F N 1.171 121.279 119.950 0.263 0.000 2.561 49 F HA 0.563 5.089 4.527 -0.000 0.000 0.313 49 F C -0.734 175.193 175.800 0.210 0.000 1.126 49 F CA -0.366 57.829 58.000 0.324 0.000 0.918 49 F CB 1.837 41.100 39.000 0.438 0.000 1.199 49 F HN 0.992 nan 8.300 nan 0.000 0.444 50 H N 6.212 125.150 119.070 -0.220 0.000 2.782 50 H HA 0.374 4.930 4.556 -0.000 0.000 0.285 50 H C -0.276 175.004 175.328 -0.080 0.000 1.093 50 H CA 0.008 55.989 56.048 -0.113 0.000 1.410 50 H CB 0.746 30.456 29.762 -0.087 0.000 1.439 50 H HN 0.703 nan 8.280 nan 0.000 0.469 51 L N 4.992 126.039 121.223 -0.293 0.000 2.821 51 L HA 0.051 4.391 4.340 -0.000 0.000 0.239 51 L C 0.538 177.260 176.870 -0.246 0.000 1.391 51 L CA 0.259 55.029 54.840 -0.116 0.000 1.231 51 L CB -0.531 41.484 42.059 -0.073 0.000 1.598 51 L HN 0.909 nan 8.230 nan 0.000 0.428 52 D N 1.235 121.485 120.400 -0.250 0.000 2.983 52 D HA -0.225 4.415 4.640 -0.000 0.000 0.225 52 D C 1.291 177.538 176.300 -0.088 0.000 1.174 52 D CA 1.155 55.181 54.000 0.043 0.000 0.831 52 D CB -0.726 40.215 40.800 0.234 0.000 1.104 52 D HN 0.738 nan 8.370 nan 0.000 0.421 53 G N -0.508 107.970 108.800 -0.537 0.000 2.175 53 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.265 53 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.265 53 G C 0.017 174.834 174.900 -0.138 0.000 0.979 53 G CA 0.923 45.786 45.100 -0.395 0.000 0.663 53 G HN 0.839 nan 8.290 nan 0.000 0.533 54 Q N -0.960 118.798 119.800 -0.069 0.000 2.309 54 Q HA 0.628 4.968 4.340 -0.000 0.000 0.270 54 Q C 0.863 176.862 176.000 -0.002 0.000 1.023 54 Q CA -0.199 55.614 55.803 0.017 0.000 0.758 54 Q CB 1.401 30.156 28.738 0.028 0.000 1.247 54 Q HN 0.389 nan 8.270 nan 0.000 0.455 55 T N -0.280 114.320 114.554 0.076 0.000 3.035 55 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 55 T C 1.495 176.268 174.700 0.121 0.000 1.109 55 T CA 0.742 62.916 62.100 0.123 0.000 1.119 55 T CB -0.192 68.835 68.868 0.264 0.000 0.900 55 T HN 0.690 nan 8.240 nan 0.000 0.503 56 I N 0.628 121.189 120.570 -0.015 0.000 2.423 56 I HA -0.125 4.045 4.170 -0.000 0.000 0.254 56 I C 2.142 178.262 176.117 0.005 0.000 1.151 56 I CA 1.176 62.420 61.300 -0.093 0.000 1.421 56 I CB -0.181 37.510 38.000 -0.514 0.000 1.079 56 I HN 0.276 nan 8.210 nan 0.000 0.431 57 I N 0.448 121.010 120.570 -0.013 0.000 2.151 57 I HA -0.369 3.801 4.170 -0.000 0.000 0.243 57 I C 2.354 178.482 176.117 0.018 0.000 1.080 57 I CA 1.598 62.888 61.300 -0.017 0.000 1.339 57 I CB -0.371 37.584 38.000 -0.076 0.000 1.039 57 I HN 0.277 nan 8.210 nan 0.000 0.409 58 L N 0.095 121.319 121.223 0.002 0.000 2.046 58 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 58 L C 2.204 179.183 176.870 0.181 0.000 1.077 58 L CA 1.333 56.172 54.840 -0.002 0.000 0.747 58 L CB -0.833 41.110 42.059 -0.194 0.000 0.896 58 L HN 0.254 nan 8.230 nan 0.000 0.432 59 D N 0.039 120.579 120.400 0.233 0.000 2.117 59 D HA -0.178 4.461 4.640 -0.000 0.000 0.197 59 D C 1.833 178.260 176.300 0.211 0.000 0.987 59 D CA 1.250 55.400 54.000 0.250 0.000 0.829 59 D CB -0.317 40.630 40.800 0.246 0.000 0.961 59 D HN 0.292 nan 8.370 nan 0.000 0.460 60 D N -0.466 120.045 120.400 0.186 0.000 2.144 60 D HA -0.166 4.473 4.640 -0.000 0.000 0.199 60 D C 1.924 178.459 176.300 0.392 0.000 0.984 60 D CA 0.636 54.773 54.000 0.229 0.000 0.834 60 D CB -0.412 40.479 40.800 0.153 0.000 0.955 60 D HN 0.278 nan 8.370 nan 0.000 0.465 61 Y N 1.345 121.726 120.300 0.136 0.000 2.133 61 Y HA -0.103 4.447 4.550 -0.000 0.000 0.287 61 Y C 2.182 178.125 175.900 0.071 0.000 1.134 61 Y CA 1.311 59.446 58.100 0.058 0.000 1.133 61 Y CB -0.474 37.957 38.460 -0.048 0.000 0.987 61 Y HN -0.113 nan 8.280 nan 0.000 0.502 62 L N 0.160 121.450 121.223 0.112 0.000 2.265 62 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 62 L C 2.253 179.141 176.870 0.031 0.000 1.117 62 L CA 1.216 56.079 54.840 0.039 0.000 0.782 62 L CB -0.478 41.700 42.059 0.198 0.000 0.914 62 L HN 0.193 nan 8.230 nan 0.000 0.441 63 K N -0.474 119.984 120.400 0.097 0.000 2.147 63 K HA -0.110 4.209 4.320 -0.000 0.000 0.205 63 K C 1.935 178.562 176.600 0.044 0.000 1.049 63 K CA 0.968 57.321 56.287 0.109 0.000 0.936 63 K CB 0.071 32.685 32.500 0.190 0.000 0.722 63 K HN 0.157 nan 8.250 nan 0.000 0.446 64 V N 0.454 120.344 119.914 -0.040 0.000 2.575 64 V HA -0.020 4.100 4.120 -0.000 0.000 0.242 64 V C 0.880 176.845 176.094 -0.215 0.000 1.045 64 V CA 0.845 63.058 62.300 -0.145 0.000 1.065 64 V CB -0.025 31.647 31.823 -0.253 0.000 0.717 64 V HN 0.159 nan 8.190 nan 0.000 0.467 65 R N 0.825 121.115 120.500 -0.350 0.000 2.868 65 R HA 0.238 4.578 4.340 -0.000 0.000 0.289 65 R C -1.949 174.234 176.300 -0.194 0.000 1.443 65 R CA -1.428 54.471 56.100 -0.334 0.000 1.651 65 R CB 0.747 30.704 30.300 -0.572 0.000 1.242 65 R HN 0.350 nan 8.270 nan 0.000 0.621 66 P HA -0.229 nan 4.420 nan 0.000 0.218 66 P C 1.096 178.407 177.300 0.017 0.000 1.148 66 P CA 1.268 64.365 63.100 -0.004 0.000 0.822 66 P CB 0.288 31.995 31.700 0.012 0.000 0.784 67 E N 0.550 120.747 120.200 -0.006 0.000 2.333 67 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 67 E C 1.436 178.058 176.600 0.036 0.000 1.007 67 E CA 0.865 57.273 56.400 0.013 0.000 0.845 67 E CB -0.575 29.123 29.700 -0.003 0.000 0.766 67 E HN 0.186 nan 8.360 nan 0.000 0.507 68 R N 0.856 121.381 120.500 0.041 0.000 2.310 68 R HA 0.076 4.416 4.340 -0.000 0.000 0.202 68 R C 1.832 178.221 176.300 0.148 0.000 0.933 68 R CA 0.519 56.681 56.100 0.103 0.000 1.054 68 R CB -0.179 30.228 30.300 0.177 0.000 0.985 68 R HN 0.457 nan 8.270 nan 0.000 0.489 69 E N 1.598 121.890 120.200 0.153 0.000 2.070 69 E HA -0.165 4.185 4.350 -0.000 0.000 0.197 69 E C -0.913 175.814 176.600 0.211 0.000 1.004 69 E CA 1.371 57.908 56.400 0.228 0.000 0.805 69 E CB -0.368 29.474 29.700 0.235 0.000 0.744 69 E HN 0.135 nan 8.360 nan 0.000 0.451 70 P HA -0.132 nan 4.420 nan 0.000 0.216 70 P C 0.591 177.955 177.300 0.106 0.000 1.153 70 P CA 1.514 64.687 63.100 0.121 0.000 0.848 70 P CB 0.034 31.784 31.700 0.082 0.000 0.787 71 E N -0.896 119.359 120.200 0.092 0.000 2.106 71 E HA -0.124 4.225 4.350 -0.000 0.000 0.192 71 E C 2.000 178.635 176.600 0.057 0.000 0.984 71 E CA 0.846 57.289 56.400 0.072 0.000 0.806 71 E CB -0.708 29.032 29.700 0.066 0.000 0.750 71 E HN 0.143 nan 8.360 nan 0.000 0.458 72 I N 0.699 121.301 120.570 0.052 0.000 2.179 72 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 72 I C 2.470 178.549 176.117 -0.063 0.000 1.088 72 I CA 1.347 62.612 61.300 -0.060 0.000 1.357 72 I CB -0.811 37.107 38.000 -0.137 0.000 1.051 72 I HN 0.125 nan 8.210 nan 0.000 0.409 73 R N 0.917 121.483 120.500 0.110 0.000 2.091 73 R HA -0.242 4.098 4.340 -0.000 0.000 0.238 73 R C 2.496 178.861 176.300 0.109 0.000 1.136 73 R CA 2.363 58.599 56.100 0.226 0.000 0.959 73 R CB -0.268 30.234 30.300 0.335 0.000 0.856 73 R HN 0.516 nan 8.270 nan 0.000 0.437 74 Q N -0.047 119.796 119.800 0.072 0.000 2.079 74 Q HA -0.027 4.313 4.340 -0.000 0.000 0.200 74 Q C 2.136 178.129 176.000 -0.011 0.000 0.974 74 Q CA 1.646 57.470 55.803 0.035 0.000 0.840 74 Q CB -0.784 27.977 28.738 0.038 0.000 0.898 74 Q HN 0.657 nan 8.270 nan 0.000 0.430 75 A N 0.261 123.068 122.820 -0.021 0.000 1.969 75 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 75 A C 2.339 179.841 177.584 -0.136 0.000 1.169 75 A CA 1.410 53.391 52.037 -0.094 0.000 0.635 75 A CB -0.311 18.704 19.000 0.026 0.000 0.810 75 A HN 0.634 nan 8.150 nan 0.000 0.445 76 I N -0.411 120.107 120.570 -0.086 0.000 2.233 76 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 76 I C 2.967 179.065 176.117 -0.032 0.000 1.093 76 I CA 0.912 62.170 61.300 -0.070 0.000 1.380 76 I CB -0.385 37.583 38.000 -0.054 0.000 1.067 76 I HN 0.328 nan 8.210 nan 0.000 0.413 77 A N 0.903 123.723 122.820 0.001 0.000 1.940 77 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 77 A C 2.418 179.982 177.584 -0.033 0.000 1.176 77 A CA 2.378 54.418 52.037 0.005 0.000 0.631 77 A CB -0.831 18.184 19.000 0.025 0.000 0.814 77 A HN 0.542 nan 8.150 nan 0.000 0.446 78 S N -2.165 113.492 115.700 -0.071 0.000 2.562 78 S HA 0.356 4.826 4.470 -0.000 0.000 0.221 78 S C 1.473 175.983 174.600 -0.151 0.000 0.975 78 S CA 1.109 59.245 58.200 -0.105 0.000 0.918 78 S CB -0.273 62.848 63.200 -0.132 0.000 0.772 78 S HN 1.977 nan 8.310 nan 0.000 0.531 79 G N 1.571 110.284 108.800 -0.146 0.000 2.159 79 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.256 79 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.256 79 G C 0.784 175.536 174.900 -0.247 0.000 0.977 79 G CA 0.497 45.501 45.100 -0.160 0.000 0.652 79 G HN 0.540 nan 8.290 nan 0.000 0.531 80 K N -0.723 119.458 120.400 -0.365 0.000 2.217 80 K HA 0.217 4.537 4.320 -0.000 0.000 0.202 80 K C 0.999 177.374 176.600 -0.376 0.000 1.051 80 K CA 0.576 56.501 56.287 -0.604 0.000 0.952 80 K CB 0.130 31.864 32.500 -1.278 0.000 0.736 80 K HN 0.402 nan 8.250 nan 0.000 0.453 81 L N 2.351 123.453 121.223 -0.202 0.000 2.280 81 L HA 0.267 4.607 4.340 -0.000 0.000 0.287 81 L C -0.347 176.504 176.870 -0.031 0.000 1.023 81 L CA -0.800 54.039 54.840 -0.002 0.000 0.819 81 L CB 1.261 43.306 42.059 -0.023 0.000 1.212 81 L HN -0.051 nan 8.230 nan 0.000 0.420 82 R N 5.202 125.711 120.500 0.015 0.000 2.229 82 R HA 0.550 4.890 4.340 -0.000 0.000 0.332 82 R C -0.482 175.740 176.300 -0.130 0.000 0.989 82 R CA -0.485 55.607 56.100 -0.013 0.000 0.842 82 R CB 1.473 31.831 30.300 0.098 0.000 1.119 82 R HN 0.637 nan 8.270 nan 0.000 0.456 83 I N -1.728 118.770 120.570 -0.119 0.000 2.693 83 I HA 0.762 4.932 4.170 -0.000 0.000 0.303 83 I C 0.681 176.717 176.117 -0.136 0.000 1.025 83 I CA -0.556 60.651 61.300 -0.156 0.000 1.086 83 I CB 2.062 39.989 38.000 -0.121 0.000 1.268 83 I HN 0.661 nan 8.210 nan 0.000 0.440 84 G N 4.792 113.505 108.800 -0.144 0.000 2.649 84 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.281 84 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.281 84 G C -2.334 172.432 174.900 -0.223 0.000 1.325 84 G CA 0.174 45.207 45.100 -0.112 0.000 0.916 84 G HN 0.717 nan 8.290 nan 0.000 0.562 85 P HA 0.342 nan 4.420 nan 0.000 0.300 85 P C -0.171 177.218 177.300 0.148 0.000 1.349 85 P CA -0.076 62.974 63.100 -0.083 0.000 1.054 85 P CB 0.505 32.133 31.700 -0.121 0.000 1.548 86 F N -0.872 119.081 119.950 0.005 0.000 2.411 86 F HA 0.281 4.808 4.527 -0.000 0.000 0.324 86 F C 1.961 177.833 175.800 0.119 0.000 1.086 86 F CA -1.650 56.374 58.000 0.040 0.000 1.028 86 F CB -0.311 38.679 39.000 -0.016 0.000 1.284 86 F HN -0.242 nan 8.300 nan 0.000 0.501 87 Y N 1.436 121.865 120.300 0.215 0.000 2.206 87 Y HA 0.173 4.722 4.550 -0.000 0.000 0.292 87 Y C 0.308 176.287 175.900 0.132 0.000 1.123 87 Y CA 0.795 58.977 58.100 0.137 0.000 1.142 87 Y CB 0.032 38.549 38.460 0.094 0.000 1.006 87 Y HN 0.317 nan 8.280 nan 0.000 0.518 88 I N -1.994 118.621 120.570 0.075 0.000 3.239 88 I HA 0.382 4.551 4.170 -0.000 0.000 0.314 88 I C -1.510 174.687 176.117 0.134 0.000 1.126 88 I CA -1.608 59.683 61.300 -0.014 0.000 0.973 88 I CB 1.797 39.745 38.000 -0.087 0.000 1.252 88 I HN -0.211 nan 8.210 nan 0.000 0.463 89 L N 3.830 125.136 121.223 0.137 0.000 2.272 89 L HA 0.418 4.758 4.340 -0.000 0.000 0.284 89 L C 0.061 177.064 176.870 0.222 0.000 1.045 89 L CA -0.648 54.315 54.840 0.205 0.000 0.842 89 L CB 0.553 42.769 42.059 0.262 0.000 1.224 89 L HN 0.739 nan 8.230 nan 0.000 0.430 90 Q N 2.259 122.144 119.800 0.142 0.000 2.318 90 Q HA 0.180 4.520 4.340 -0.000 0.000 0.222 90 Q C -0.706 175.334 176.000 0.067 0.000 1.003 90 Q CA -0.514 55.353 55.803 0.106 0.000 0.936 90 Q CB 1.789 30.554 28.738 0.045 0.000 1.204 90 Q HN 0.483 nan 8.270 nan 0.000 0.524 91 D N 0.335 120.742 120.400 0.012 0.000 2.277 91 D HA 0.031 4.671 4.640 -0.000 0.000 0.249 91 D C -0.209 176.027 176.300 -0.106 0.000 1.134 91 D CA -0.357 53.603 54.000 -0.067 0.000 0.863 91 D CB 1.009 41.791 40.800 -0.030 0.000 1.143 91 D HN 0.348 nan 8.370 nan 0.000 0.458 92 D N 3.183 123.449 120.400 -0.224 0.000 2.084 92 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 92 D C 1.561 177.664 176.300 -0.328 0.000 0.990 92 D CA 1.240 55.020 54.000 -0.366 0.000 0.826 92 D CB -0.126 40.227 40.800 -0.746 0.000 0.971 92 D HN 0.488 nan 8.370 nan 0.000 0.453 93 F N -0.031 119.822 119.950 -0.161 0.000 2.456 93 F HA 0.136 4.663 4.527 -0.000 0.000 0.298 93 F C 2.066 177.829 175.800 -0.062 0.000 1.104 93 F CA 0.415 58.311 58.000 -0.173 0.000 1.435 93 F CB -0.238 38.500 39.000 -0.437 0.000 1.078 93 F HN -0.078 nan 8.300 nan 0.000 0.546 94 L N -0.447 120.852 121.223 0.127 0.000 2.640 94 L HA 0.165 4.505 4.340 -0.000 0.000 0.230 94 L C 0.610 177.463 176.870 -0.029 0.000 1.123 94 L CA -0.034 54.862 54.840 0.094 0.000 0.900 94 L CB -0.531 41.611 42.059 0.138 0.000 1.146 94 L HN 0.014 nan 8.230 nan 0.000 0.484 95 T N -2.879 111.609 114.554 -0.110 0.000 2.925 95 T HA 0.453 4.802 4.350 -0.000 0.000 0.285 95 T C 0.376 174.997 174.700 -0.133 0.000 1.021 95 T CA -0.665 61.291 62.100 -0.240 0.000 1.042 95 T CB 1.847 70.463 68.868 -0.420 0.000 1.037 95 T HN 0.120 nan 8.240 nan 0.000 0.481 96 S N 1.937 117.586 115.700 -0.085 0.000 2.576 96 S HA 0.130 4.600 4.470 -0.000 0.000 0.272 96 S C 1.458 175.979 174.600 -0.131 0.000 1.352 96 S CA -0.236 57.928 58.200 -0.059 0.000 1.021 96 S CB 0.271 63.495 63.200 0.041 0.000 0.887 96 S HN 0.714 nan 8.310 nan 0.000 0.542 97 S N 1.321 116.850 115.700 -0.284 0.000 2.365 97 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 97 S C 1.971 176.343 174.600 -0.381 0.000 1.039 97 S CA 1.463 59.272 58.200 -0.651 0.000 1.033 97 S CB -0.611 61.799 63.200 -1.317 0.000 0.887 97 S HN 0.781 nan 8.310 nan 0.000 0.447 98 E N 1.227 121.347 120.200 -0.133 0.000 2.085 98 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 98 E C 2.379 179.023 176.600 0.074 0.000 0.994 98 E CA 0.882 57.347 56.400 0.108 0.000 0.801 98 E CB -0.537 29.279 29.700 0.194 0.000 0.743 98 E HN 0.399 nan 8.360 nan 0.000 0.453 99 S N 1.455 117.243 115.700 0.147 0.000 2.387 99 S HA -0.147 4.322 4.470 -0.000 0.000 0.230 99 S C 1.657 176.300 174.600 0.072 0.000 1.035 99 S CA 0.888 59.214 58.200 0.210 0.000 1.014 99 S CB -0.280 63.096 63.200 0.294 0.000 0.836 99 S HN 0.305 nan 8.310 nan 0.000 0.466 100 N N 0.896 119.605 118.700 0.016 0.000 2.149 100 N HA -0.085 4.655 4.740 -0.000 0.000 0.188 100 N C 1.684 177.169 175.510 -0.041 0.000 1.019 100 N CA 1.232 54.268 53.050 -0.024 0.000 0.857 100 N CB -0.234 38.243 38.487 -0.016 0.000 0.997 100 N HN 0.259 nan 8.380 nan 0.000 0.426 101 V N 1.827 121.756 119.914 0.026 0.000 2.407 101 V HA -0.090 4.030 4.120 -0.000 0.000 0.245 101 V C 2.221 178.245 176.094 -0.117 0.000 1.041 101 V CA 1.128 63.410 62.300 -0.030 0.000 1.040 101 V CB -0.240 31.599 31.823 0.027 0.000 0.671 101 V HN 0.162 nan 8.190 nan 0.000 0.455 102 R N 0.831 121.218 120.500 -0.188 0.000 2.096 102 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 102 R C 2.038 178.245 176.300 -0.155 0.000 1.127 102 R CA 1.433 57.343 56.100 -0.317 0.000 0.968 102 R CB -1.579 28.288 30.300 -0.721 0.000 0.861 102 R HN 0.550 nan 8.270 nan 0.000 0.440 103 N N 0.976 119.637 118.700 -0.065 0.000 2.094 103 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 103 N C 1.592 177.082 175.510 -0.032 0.000 1.023 103 N CA 1.722 54.767 53.050 -0.009 0.000 0.857 103 N CB -0.076 38.351 38.487 -0.101 0.000 1.013 103 N HN 0.255 nan 8.380 nan 0.000 0.426 104 M N -1.195 118.341 119.600 -0.106 0.000 2.287 104 M HA -0.028 4.452 4.480 -0.000 0.000 0.266 104 M C 1.694 178.006 176.300 0.020 0.000 1.079 104 M CA 0.472 55.771 55.300 -0.001 0.000 1.146 104 M CB -0.119 32.466 32.600 -0.024 0.000 1.374 104 M HN 0.127 nan 8.290 nan 0.000 0.435 105 L N 1.135 122.327 121.223 -0.051 0.000 2.017 105 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 105 L C 2.238 179.076 176.870 -0.055 0.000 1.073 105 L CA 1.744 56.543 54.840 -0.069 0.000 0.745 105 L CB -0.632 41.346 42.059 -0.135 0.000 0.894 105 L HN 0.189 nan 8.230 nan 0.000 0.432 106 I N -0.659 119.864 120.570 -0.079 0.000 2.202 106 I HA -0.151 4.019 4.170 -0.000 0.000 0.242 106 I C 2.567 178.694 176.117 0.017 0.000 1.091 106 I CA 1.344 62.584 61.300 -0.099 0.000 1.368 106 I CB -2.114 35.718 38.000 -0.280 0.000 1.058 106 I HN 0.328 nan 8.210 nan 0.000 0.410 107 G N 1.115 109.988 108.800 0.122 0.000 2.476 107 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.218 107 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.218 107 G C 1.780 176.769 174.900 0.149 0.000 1.164 107 G CA 1.349 46.576 45.100 0.212 0.000 0.768 107 G HN 0.253 nan 8.290 nan 0.000 0.560 108 K N 0.812 121.274 120.400 0.103 0.000 2.057 108 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 108 K C 2.315 178.942 176.600 0.045 0.000 1.049 108 K CA 1.827 58.155 56.287 0.068 0.000 0.931 108 K CB -0.445 32.079 32.500 0.040 0.000 0.714 108 K HN 0.477 nan 8.250 nan 0.000 0.440 109 E N 0.023 120.236 120.200 0.021 0.000 2.058 109 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 109 E C 1.254 177.862 176.600 0.012 0.000 0.997 109 E CA 1.791 58.189 56.400 -0.004 0.000 0.801 109 E CB -0.098 29.584 29.700 -0.030 0.000 0.746 109 E HN 0.321 nan 8.360 nan 0.000 0.450 110 D N -0.034 120.406 120.400 0.066 0.000 2.097 110 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 110 D C 2.072 178.501 176.300 0.214 0.000 0.989 110 D CA 1.166 55.250 54.000 0.141 0.000 0.827 110 D CB -0.627 40.339 40.800 0.276 0.000 0.966 110 D HN 0.296 nan 8.370 nan 0.000 0.456 111 C N 0.901 120.320 119.300 0.199 0.000 2.429 111 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 111 C C 2.258 177.329 174.990 0.136 0.000 1.262 111 C CA 0.408 59.544 59.018 0.196 0.000 1.733 111 C CB -0.670 27.144 27.740 0.123 0.000 2.010 111 C HN 0.328 nan 8.230 nan 0.000 0.483 112 D N 0.145 120.583 120.400 0.064 0.000 2.117 112 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 112 D C 2.286 178.577 176.300 -0.015 0.000 0.987 112 D CA 1.030 55.042 54.000 0.021 0.000 0.829 112 D CB -0.500 40.297 40.800 -0.005 0.000 0.961 112 D HN 0.525 nan 8.370 nan 0.000 0.460 113 R N -0.430 120.023 120.500 -0.079 0.000 2.081 113 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 113 R C 2.065 178.209 176.300 -0.261 0.000 1.131 113 R CA 1.365 57.327 56.100 -0.231 0.000 0.960 113 R CB -0.430 29.640 30.300 -0.383 0.000 0.856 113 R HN 0.230 nan 8.270 nan 0.000 0.436 114 W N -0.734 120.579 121.300 0.021 0.000 2.584 114 W HA 0.224 4.884 4.660 -0.000 0.000 0.264 114 W C 1.251 177.776 176.519 0.010 0.000 1.264 114 W CA 0.564 57.921 57.345 0.019 0.000 1.306 114 W CB 0.317 29.791 29.460 0.023 0.000 1.110 114 W HN 0.473 nan 8.180 nan 0.000 0.606 115 G N -0.001 108.916 108.800 0.196 0.000 2.134 115 G HA2 0.070 4.030 3.960 -0.000 0.000 0.209 115 G HA3 0.070 4.030 3.960 -0.000 0.000 0.209 115 G C -0.156 174.804 174.900 0.100 0.000 0.993 115 G CA -0.318 44.852 45.100 0.116 0.000 0.669 115 G HN 0.693 nan 8.290 nan 0.000 0.519 116 A N -1.786 121.104 122.820 0.117 0.000 2.601 116 A HA 1.008 5.328 4.320 -0.000 0.000 0.291 116 A C -0.363 177.262 177.584 0.068 0.000 1.075 116 A CA 0.704 52.784 52.037 0.072 0.000 0.671 116 A CB 1.113 20.143 19.000 0.050 0.000 1.277 116 A HN 1.766 nan 8.150 nan 0.000 0.417 117 S N -1.317 114.407 115.700 0.039 0.000 2.776 117 S HA 0.781 5.251 4.470 -0.000 0.000 0.292 117 S C -1.736 172.870 174.600 0.010 0.000 1.187 117 S CA -0.215 57.999 58.200 0.023 0.000 0.834 117 S CB 1.643 64.858 63.200 0.026 0.000 1.199 117 S HN 1.432 nan 8.310 nan 0.000 0.514 118 V N 3.492 123.399 119.914 -0.011 0.000 2.487 118 V HA 0.503 4.623 4.120 -0.000 0.000 0.298 118 V C -2.165 173.913 176.094 -0.026 0.000 1.028 118 V CA -1.641 60.665 62.300 0.010 0.000 0.860 118 V CB 1.882 33.732 31.823 0.045 0.000 0.991 118 V HN 0.768 nan 8.190 nan 0.000 0.427 119 P HA 0.260 nan 4.420 nan 0.000 0.218 119 P C -0.837 176.442 177.300 -0.035 0.000 1.793 119 P CA -0.051 63.041 63.100 -0.014 0.000 0.941 119 P CB 0.262 31.966 31.700 0.007 0.000 1.919 120 L N 0.418 121.583 121.223 -0.097 0.000 2.596 120 L HA 0.591 4.931 4.340 -0.000 0.000 0.265 120 L C -0.108 176.627 176.870 -0.225 0.000 0.962 120 L CA -0.537 54.221 54.840 -0.136 0.000 0.891 120 L CB 1.689 43.607 42.059 -0.234 0.000 1.248 120 L HN 0.133 nan 8.230 nan 0.000 0.410 121 G N 3.036 111.762 108.800 -0.124 0.000 2.313 121 G HA2 0.210 4.169 3.960 -0.000 0.000 0.250 121 G HA3 0.210 4.169 3.960 -0.000 0.000 0.250 121 G C -1.389 173.390 174.900 -0.202 0.000 1.281 121 G CA 0.171 45.157 45.100 -0.190 0.000 0.917 121 G HN 0.567 nan 8.290 nan 0.000 0.501 122 Y N 2.721 122.504 120.300 -0.861 0.000 2.345 122 Y HA 0.534 5.084 4.550 -0.000 0.000 0.331 122 Y C -0.745 174.846 175.900 -0.514 0.000 0.959 122 Y CA -1.736 56.048 58.100 -0.527 0.000 1.204 122 Y CB 1.217 39.398 38.460 -0.465 0.000 1.135 122 Y HN 0.441 nan 8.280 nan 0.000 0.477 123 F N 7.289 127.146 119.950 -0.155 0.000 2.623 123 F HA 0.324 4.851 4.527 -0.000 0.000 0.361 123 F C -1.750 173.953 175.800 -0.162 0.000 1.469 123 F CA -1.591 56.374 58.000 -0.057 0.000 1.126 123 F CB 0.629 39.679 39.000 0.084 0.000 1.221 123 F HN 0.354 nan 8.300 nan 0.000 0.536 124 P HA -0.161 nan 4.420 nan 0.000 0.217 124 P C 0.859 178.042 177.300 -0.194 0.000 1.150 124 P CA 1.665 64.586 63.100 -0.299 0.000 0.832 124 P CB 0.590 31.748 31.700 -0.903 0.000 0.787 125 D N -2.015 118.262 120.400 -0.205 0.000 2.500 125 D HA 0.035 4.675 4.640 -0.000 0.000 0.217 125 D C -0.245 176.102 176.300 0.077 0.000 1.159 125 D CA 0.144 54.147 54.000 0.005 0.000 0.828 125 D CB -0.223 40.558 40.800 -0.031 0.000 1.039 125 D HN -0.069 nan 8.370 nan 0.000 0.512 126 T N 1.489 116.030 114.554 -0.023 0.000 2.905 126 T HA -0.061 4.289 4.350 -0.000 0.000 0.299 126 T C 0.242 175.088 174.700 0.243 0.000 1.024 126 T CA 0.101 62.172 62.100 -0.048 0.000 1.151 126 T CB 0.061 68.969 68.868 0.066 0.000 0.987 126 T HN -0.044 nan 8.240 nan 0.000 0.535 127 F N 2.736 122.752 119.950 0.111 0.000 2.661 127 F HA 0.472 4.999 4.527 -0.000 0.000 0.356 127 F C 1.527 177.450 175.800 0.205 0.000 1.244 127 F CA -0.820 57.300 58.000 0.201 0.000 1.290 127 F CB -1.539 37.631 39.000 0.284 0.000 1.677 127 F HN 0.965 nan 8.300 nan 0.000 0.649 128 G N 1.764 110.755 108.800 0.318 0.000 2.788 128 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 128 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 128 G C -1.066 173.832 174.900 -0.005 0.000 1.147 128 G CA -1.187 44.073 45.100 0.267 0.000 0.755 128 G HN 0.388 nan 8.290 nan 0.000 0.634 129 N N 1.902 120.553 118.700 -0.081 0.000 2.372 129 N HA 0.496 5.236 4.740 -0.000 0.000 0.285 129 N C 1.033 176.408 175.510 -0.225 0.000 1.008 129 N CA -0.627 52.245 53.050 -0.296 0.000 0.880 129 N CB 1.557 39.885 38.487 -0.265 0.000 1.239 129 N HN 0.864 nan 8.380 nan 0.000 0.484 130 M N -0.314 118.963 119.600 -0.539 0.000 2.249 130 M HA 0.175 4.654 4.480 -0.000 0.000 0.340 130 M C 1.162 177.421 176.300 -0.069 0.000 1.166 130 M CA 0.273 55.389 55.300 -0.308 0.000 1.115 130 M CB 0.183 32.531 32.600 -0.420 0.000 1.606 130 M HN 0.504 nan 8.290 nan 0.000 0.448 131 G N 1.436 110.274 108.800 0.064 0.000 2.448 131 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 131 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 131 G C 1.197 176.040 174.900 -0.094 0.000 1.127 131 G CA 0.396 45.535 45.100 0.064 0.000 0.766 131 G HN 0.823 nan 8.290 nan 0.000 0.552 132 Q N 0.314 120.029 119.800 -0.142 0.000 2.320 132 Q HA 0.049 4.389 4.340 -0.000 0.000 0.201 132 Q C 2.294 178.098 176.000 -0.327 0.000 0.910 132 Q CA 0.252 55.942 55.803 -0.189 0.000 0.946 132 Q CB 0.007 28.692 28.738 -0.088 0.000 1.062 132 Q HN 0.395 nan 8.270 nan 0.000 0.503 133 T N 1.589 115.828 114.554 -0.525 0.000 2.665 133 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 133 T C -0.984 173.329 174.700 -0.645 0.000 1.035 133 T CA 1.415 63.093 62.100 -0.704 0.000 1.151 133 T CB -1.034 67.117 68.868 -1.195 0.000 0.862 133 T HN 0.277 nan 8.240 nan 0.000 0.438 134 P HA -0.112 nan 4.420 nan 0.000 0.214 134 P C 1.702 178.834 177.300 -0.280 0.000 1.163 134 P CA 1.202 64.005 63.100 -0.496 0.000 0.883 134 P CB -0.081 31.338 31.700 -0.468 0.000 0.788 135 Q N -0.469 119.181 119.800 -0.250 0.000 2.084 135 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 135 Q C 2.088 177.980 176.000 -0.180 0.000 0.978 135 Q CA 1.278 56.969 55.803 -0.186 0.000 0.844 135 Q CB -0.640 27.995 28.738 -0.172 0.000 0.898 135 Q HN 0.170 nan 8.270 nan 0.000 0.426 136 L N -0.123 120.985 121.223 -0.193 0.000 2.083 136 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 136 L C 2.550 179.374 176.870 -0.076 0.000 1.083 136 L CA 0.748 55.500 54.840 -0.145 0.000 0.752 136 L CB -0.355 41.634 42.059 -0.117 0.000 0.899 136 L HN 0.375 nan 8.230 nan 0.000 0.433 137 M N -0.634 118.923 119.600 -0.071 0.000 2.098 137 M HA -0.149 4.330 4.480 -0.000 0.000 0.262 137 M C 2.402 178.687 176.300 -0.026 0.000 1.072 137 M CA 1.718 57.018 55.300 0.000 0.000 1.133 137 M CB -1.037 31.563 32.600 -0.000 0.000 1.344 137 M HN 0.203 nan 8.290 nan 0.000 0.414 138 L N -0.079 121.105 121.223 -0.066 0.000 2.043 138 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 138 L C 1.950 178.783 176.870 -0.062 0.000 1.075 138 L CA 1.385 56.188 54.840 -0.061 0.000 0.752 138 L CB -0.647 41.366 42.059 -0.077 0.000 0.891 138 L HN 0.352 nan 8.230 nan 0.000 0.432 139 K N -0.346 120.004 120.400 -0.083 0.000 2.476 139 K HA 0.142 4.461 4.320 -0.000 0.000 0.196 139 K C 1.036 177.593 176.600 -0.072 0.000 1.025 139 K CA 0.337 56.569 56.287 -0.091 0.000 1.138 139 K CB 0.284 32.706 32.500 -0.130 0.000 0.860 139 K HN 0.202 nan 8.250 nan 0.000 0.515 140 A N 0.238 123.035 122.820 -0.039 0.000 2.564 140 A HA 0.374 4.694 4.320 -0.000 0.000 0.279 140 A C 1.024 178.613 177.584 0.009 0.000 1.232 140 A CA 0.205 52.238 52.037 -0.007 0.000 0.950 140 A CB 0.170 19.191 19.000 0.036 0.000 1.138 140 A HN 0.286 nan 8.150 nan 0.000 0.526 141 G N -0.520 108.275 108.800 -0.009 0.000 2.143 141 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.248 141 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.248 141 G C -0.119 174.783 174.900 0.003 0.000 0.991 141 G CA 0.524 45.620 45.100 -0.007 0.000 0.689 141 G HN 0.543 nan 8.290 nan 0.000 0.522 142 L N -1.252 119.977 121.223 0.010 0.000 2.346 142 L HA 0.652 4.992 4.340 -0.000 0.000 0.274 142 L C 0.732 177.607 176.870 0.008 0.000 1.007 142 L CA -0.957 53.893 54.840 0.017 0.000 0.818 142 L CB 2.060 44.147 42.059 0.046 0.000 1.284 142 L HN 0.047 nan 8.230 nan 0.000 0.424 143 Q N 1.600 121.405 119.800 0.008 0.000 2.171 143 Q HA 0.522 4.862 4.340 -0.000 0.000 0.218 143 Q C -0.474 175.541 176.000 0.026 0.000 0.822 143 Q CA -0.048 55.758 55.803 0.006 0.000 0.987 143 Q CB 1.721 30.457 28.738 -0.002 0.000 1.144 143 Q HN 0.649 nan 8.270 nan 0.000 0.494 144 A N 0.049 122.895 122.820 0.043 0.000 2.574 144 A HA 0.916 5.236 4.320 -0.000 0.000 0.297 144 A C -1.584 176.068 177.584 0.114 0.000 1.062 144 A CA -0.424 51.659 52.037 0.077 0.000 0.686 144 A CB 1.368 20.398 19.000 0.049 0.000 1.285 144 A HN 0.095 nan 8.150 nan 0.000 0.403 145 A N 0.317 123.260 122.820 0.205 0.000 2.422 145 A HA 0.890 5.210 4.320 -0.000 0.000 0.302 145 A C -0.250 177.506 177.584 0.285 0.000 1.041 145 A CA 0.083 52.307 52.037 0.311 0.000 0.708 145 A CB 1.360 20.645 19.000 0.476 0.000 1.257 145 A HN 2.453 nan 8.150 nan 0.000 0.414 146 A N 1.572 124.460 122.820 0.113 0.000 2.304 146 A HA 0.894 5.214 4.320 -0.000 0.000 0.323 146 A C -0.597 176.929 177.584 -0.097 0.000 1.195 146 A CA -0.442 51.448 52.037 -0.246 0.000 0.826 146 A CB 0.026 18.677 19.000 -0.581 0.000 1.184 146 A HN 1.809 nan 8.150 nan 0.000 0.496 147 F N -0.536 119.165 119.950 -0.415 0.000 2.631 147 F HA 0.728 5.255 4.527 -0.000 0.000 0.308 147 F C 0.542 176.279 175.800 -0.106 0.000 1.097 147 F CA -0.389 57.517 58.000 -0.156 0.000 0.952 147 F CB 1.500 40.471 39.000 -0.049 0.000 1.307 147 F HN 0.493 nan 8.300 nan 0.000 0.450 148 G N 0.979 109.895 108.800 0.193 0.000 2.850 148 G HA2 0.287 4.247 3.960 -0.000 0.000 0.211 148 G HA3 0.287 4.247 3.960 -0.000 0.000 0.211 148 G C 0.180 175.315 174.900 0.392 0.000 1.124 148 G CA -0.337 44.887 45.100 0.207 0.000 0.769 148 G HN 0.490 nan 8.290 nan 0.000 0.535 149 R N -1.349 119.408 120.500 0.427 0.000 2.832 149 R HA 0.566 4.906 4.340 -0.000 0.000 0.271 149 R C 0.771 177.250 176.300 0.298 0.000 0.996 149 R CA 0.030 56.358 56.100 0.379 0.000 0.977 149 R CB 1.911 32.446 30.300 0.393 0.000 1.168 149 R HN 0.200 nan 8.270 nan 0.000 0.482 150 G N 0.743 109.654 108.800 0.185 0.000 2.259 150 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 150 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 150 G C -0.104 174.814 174.900 0.030 0.000 1.001 150 G CA -0.354 44.796 45.100 0.083 0.000 0.627 150 G HN 0.459 nan 8.290 nan 0.000 0.501 151 I N 0.429 121.053 120.570 0.091 0.000 2.769 151 I HA 0.760 4.930 4.170 -0.000 0.000 0.298 151 I C 0.117 176.231 176.117 -0.007 0.000 1.128 151 I CA -0.621 60.704 61.300 0.042 0.000 1.031 151 I CB 1.944 39.993 38.000 0.082 0.000 1.235 151 I HN 0.420 nan 8.210 nan 0.000 0.423 152 R N 6.143 126.609 120.500 -0.057 0.000 2.437 152 R HA 0.722 5.062 4.340 -0.000 0.000 0.310 152 R C -2.968 173.239 176.300 -0.155 0.000 0.955 152 R CA -1.730 54.309 56.100 -0.102 0.000 0.851 152 R CB 0.403 30.655 30.300 -0.080 0.000 1.161 152 R HN 0.379 nan 8.270 nan 0.000 0.446 153 P HA 0.279 nan 4.420 nan 0.000 0.276 153 P C 0.201 177.383 177.300 -0.197 0.000 1.253 153 P CA 0.231 63.105 63.100 -0.376 0.000 0.766 153 P CB 0.969 32.106 31.700 -0.939 0.000 0.845 154 T N 2.030 116.542 114.554 -0.072 0.000 2.856 154 T HA 0.397 4.746 4.350 -0.000 0.000 0.306 154 T C 1.041 175.827 174.700 0.144 0.000 1.062 154 T CA 0.040 62.158 62.100 0.030 0.000 1.083 154 T CB -0.069 68.800 68.868 0.002 0.000 0.984 154 T HN 0.462 nan 8.240 nan 0.000 0.542 155 G N -0.628 108.277 108.800 0.174 0.000 2.265 155 G HA2 0.429 4.388 3.960 -0.000 0.000 0.240 155 G HA3 0.429 4.388 3.960 -0.000 0.000 0.240 155 G C 0.883 175.821 174.900 0.062 0.000 1.270 155 G CA 0.269 45.474 45.100 0.175 0.000 0.901 155 G HN 1.233 nan 8.290 nan 0.000 0.507 156 F N 0.552 120.542 119.950 0.067 0.000 2.664 156 F HA 0.018 4.545 4.527 -0.000 0.000 0.297 156 F C 2.090 177.838 175.800 -0.085 0.000 1.164 156 F CA 1.622 59.546 58.000 -0.126 0.000 1.472 156 F CB -1.426 37.610 39.000 0.060 0.000 1.108 156 F HN 0.824 nan 8.300 nan 0.000 0.596 157 N N -0.142 118.540 118.700 -0.031 0.000 2.432 157 N HA 0.184 4.923 4.740 -0.000 0.000 0.174 157 N C 1.090 176.593 175.510 -0.011 0.000 1.037 157 N CA 0.839 53.883 53.050 -0.010 0.000 0.892 157 N CB -1.258 37.227 38.487 -0.003 0.000 1.049 157 N HN 0.954 nan 8.380 nan 0.000 0.442 158 N N -0.124 118.566 118.700 -0.015 0.000 2.444 158 N HA 0.508 5.248 4.740 -0.000 0.000 0.255 158 N C 0.650 176.152 175.510 -0.013 0.000 1.255 158 N CA 0.383 53.430 53.050 -0.005 0.000 0.933 158 N CB -0.403 38.088 38.487 0.007 0.000 1.143 158 N HN 1.067 nan 8.380 nan 0.000 0.453 159 Q N -1.003 118.796 119.800 -0.000 0.000 2.500 159 Q HA 0.631 4.971 4.340 -0.000 0.000 0.215 159 Q C 2.038 178.037 176.000 -0.001 0.000 1.062 159 Q CA 0.438 56.242 55.803 0.002 0.000 0.996 159 Q CB -0.473 28.270 28.738 0.008 0.000 1.239 159 Q HN 1.908 nan 8.270 nan 0.000 0.578 160 V N 0.164 120.079 119.914 0.003 0.000 2.223 160 V HA 0.035 4.155 4.120 -0.000 0.000 0.244 160 V C 2.180 178.277 176.094 0.006 0.000 1.045 160 V CA 4.354 66.655 62.300 0.002 0.000 1.000 160 V CB -2.011 29.816 31.823 0.007 0.000 0.635 160 V HN 1.776 nan 8.190 nan 0.000 0.445 161 D N -2.044 118.363 120.400 0.011 0.000 4.515 161 D HA -0.206 4.433 4.640 -0.000 0.000 0.300 161 D C 2.437 178.746 176.300 0.016 0.000 0.559 161 D CA 4.765 58.775 54.000 0.017 0.000 1.531 161 D CB -1.530 39.284 40.800 0.024 0.000 0.894 161 D HN 2.754 nan 8.370 nan 0.000 0.374 162 T N -3.603 110.962 114.554 0.018 0.000 5.043 162 T HA 0.288 4.638 4.350 -0.000 0.000 0.285 162 T C 2.101 176.810 174.700 0.014 0.000 1.739 162 T CA 2.475 64.580 62.100 0.008 0.000 3.014 162 T CB -2.652 66.215 68.868 -0.003 0.000 1.463 162 T HN 2.547 nan 8.240 nan 0.000 1.007 163 S N -0.527 115.196 115.700 0.038 0.000 2.481 163 S HA 0.496 4.966 4.470 -0.000 0.000 0.231 163 S C 1.152 175.805 174.600 0.087 0.000 0.996 163 S CA 1.762 59.995 58.200 0.055 0.000 0.942 163 S CB -0.250 62.987 63.200 0.063 0.000 0.768 163 S HN 1.973 nan 8.310 nan 0.000 0.520 164 E N 1.665 121.921 120.200 0.093 0.000 1.963 164 E HA 0.445 4.795 4.350 -0.000 0.000 0.274 164 E C 0.512 177.085 176.600 -0.045 0.000 1.061 164 E CA -0.610 55.850 56.400 0.100 0.000 0.847 164 E CB -0.225 29.565 29.700 0.149 0.000 1.083 164 E HN 0.620 nan 8.360 nan 0.000 0.402 165 K N 0.395 120.705 120.400 -0.151 0.000 2.209 165 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 165 K C 0.004 176.209 176.600 -0.658 0.000 1.048 165 K CA 1.228 57.239 56.287 -0.461 0.000 0.940 165 K CB 0.064 32.130 32.500 -0.724 0.000 0.729 165 K HN 0.714 nan 8.250 nan 0.000 0.451 166 Y N 0.040 120.307 120.300 -0.055 0.000 2.734 166 Y HA 0.272 4.822 4.550 -0.000 0.000 0.278 166 Y C -0.027 175.805 175.900 -0.113 0.000 1.108 166 Y CA -0.528 57.520 58.100 -0.088 0.000 1.211 166 Y CB 0.727 39.129 38.460 -0.096 0.000 1.182 166 Y HN -0.213 nan 8.280 nan 0.000 0.547 167 S N 0.117 115.800 115.700 -0.028 0.000 2.608 167 S HA 0.632 5.102 4.470 -0.000 0.000 0.291 167 S C -0.297 174.273 174.600 -0.051 0.000 1.146 167 S CA -0.694 57.481 58.200 -0.043 0.000 1.043 167 S CB 1.787 64.970 63.200 -0.029 0.000 1.037 167 S HN 0.178 nan 8.310 nan 0.000 0.520 168 S N 0.839 116.497 115.700 -0.069 0.000 2.614 168 S HA 0.279 4.749 4.470 -0.000 0.000 0.288 168 S C 0.513 175.036 174.600 -0.129 0.000 1.137 168 S CA -0.612 57.541 58.200 -0.078 0.000 0.992 168 S CB 1.607 64.773 63.200 -0.058 0.000 1.026 168 S HN 0.791 nan 8.310 nan 0.000 0.486 169 Q N 2.882 122.538 119.800 -0.239 0.000 2.061 169 Q HA 0.002 4.342 4.340 -0.000 0.000 0.204 169 Q C -0.593 175.148 176.000 -0.432 0.000 0.984 169 Q CA 1.728 57.228 55.803 -0.505 0.000 0.846 169 Q CB 0.059 28.194 28.738 -1.005 0.000 0.902 169 Q HN 0.696 nan 8.270 nan 0.000 0.421 170 F N -1.381 118.621 119.950 0.087 0.000 2.594 170 F HA 0.258 4.785 4.527 -0.000 0.000 0.335 170 F C 1.220 177.041 175.800 0.035 0.000 1.058 170 F CA -0.747 57.319 58.000 0.111 0.000 0.981 170 F CB 1.315 40.365 39.000 0.084 0.000 1.289 170 F HN -0.109 nan 8.300 nan 0.000 0.490 171 S N -1.732 114.144 115.700 0.294 0.000 2.603 171 S HA 0.162 4.632 4.470 -0.000 0.000 0.220 171 S C -0.198 174.429 174.600 0.046 0.000 0.967 171 S CA 0.021 58.276 58.200 0.091 0.000 0.920 171 S CB -0.787 62.500 63.200 0.145 0.000 0.773 171 S HN 0.542 nan 8.310 nan 0.000 0.529 172 E N 1.332 121.608 120.200 0.127 0.000 2.210 172 E HA 0.709 5.059 4.350 -0.000 0.000 0.266 172 E C -0.415 176.262 176.600 0.128 0.000 0.883 172 E CA -0.649 55.802 56.400 0.084 0.000 0.761 172 E CB 1.879 31.611 29.700 0.054 0.000 1.156 172 E HN 0.543 nan 8.360 nan 0.000 0.412 173 I N -1.864 118.774 120.570 0.113 0.000 2.892 173 I HA 0.690 4.860 4.170 -0.000 0.000 0.306 173 I C -0.448 175.763 176.117 0.156 0.000 1.078 173 I CA -0.978 60.403 61.300 0.135 0.000 1.032 173 I CB 2.468 40.532 38.000 0.106 0.000 1.229 173 I HN 0.294 nan 8.210 nan 0.000 0.435 174 S N 3.824 119.613 115.700 0.148 0.000 2.411 174 S HA 0.313 4.783 4.470 -0.000 0.000 0.294 174 S C -1.220 173.520 174.600 0.234 0.000 1.115 174 S CA -0.362 57.935 58.200 0.162 0.000 1.071 174 S CB 0.130 63.398 63.200 0.113 0.000 0.967 174 S HN 0.581 nan 8.310 nan 0.000 0.488 175 W N 6.211 127.537 121.300 0.043 0.000 2.291 175 W HA 0.383 5.043 4.660 -0.000 0.000 0.312 175 W C -0.377 176.142 176.519 0.001 0.000 1.061 175 W CA -1.170 56.189 57.345 0.023 0.000 1.296 175 W CB 0.365 29.831 29.460 0.011 0.000 1.223 175 W HN 0.653 nan 8.180 nan 0.000 0.421 176 Q N 4.247 124.251 119.800 0.341 0.000 2.307 176 Q HA 0.576 4.916 4.340 -0.000 0.000 0.262 176 Q C 0.181 176.232 176.000 0.086 0.000 0.961 176 Q CA -0.327 55.552 55.803 0.128 0.000 0.882 176 Q CB 1.452 30.253 28.738 0.106 0.000 1.264 176 Q HN 0.642 nan 8.270 nan 0.000 0.446 177 G N 2.687 111.456 108.800 -0.051 0.000 2.511 177 G HA2 0.357 4.317 3.960 -0.000 0.000 0.316 177 G HA3 0.357 4.317 3.960 -0.000 0.000 0.316 177 G C -1.899 172.995 174.900 -0.010 0.000 1.210 177 G CA -1.191 43.867 45.100 -0.070 0.000 0.969 177 G HN 0.593 nan 8.290 nan 0.000 0.492 178 P HA -0.055 nan 4.420 nan 0.000 0.225 178 P C 0.668 177.978 177.300 0.016 0.000 1.148 178 P CA 1.117 64.233 63.100 0.027 0.000 0.779 178 P CB 0.230 31.956 31.700 0.044 0.000 0.780 179 D N -1.434 118.961 120.400 -0.009 0.000 2.339 179 D HA -0.041 4.599 4.640 -0.000 0.000 0.217 179 D C 0.204 176.492 176.300 -0.021 0.000 1.050 179 D CA -0.239 53.752 54.000 -0.015 0.000 0.856 179 D CB -0.748 40.031 40.800 -0.036 0.000 0.922 179 D HN -0.102 nan 8.370 nan 0.000 0.518 180 N N -0.738 117.953 118.700 -0.016 0.000 2.948 180 N HA -0.166 4.574 4.740 -0.000 0.000 0.239 180 N C -0.689 174.804 175.510 -0.028 0.000 0.954 180 N CA 0.825 53.867 53.050 -0.013 0.000 0.941 180 N CB -1.954 36.529 38.487 -0.006 0.000 1.101 180 N HN 0.115 nan 8.380 nan 0.000 0.579 181 S N 0.491 116.158 115.700 -0.054 0.000 2.560 181 S HA 0.233 4.703 4.470 -0.000 0.000 0.284 181 S C 0.647 175.207 174.600 -0.067 0.000 1.327 181 S CA 0.096 58.253 58.200 -0.072 0.000 1.055 181 S CB 0.946 64.079 63.200 -0.111 0.000 0.868 181 S HN 0.144 nan 8.310 nan 0.000 0.506 182 R N 1.542 122.013 120.500 -0.047 0.000 2.628 182 R HA 0.653 4.993 4.340 -0.000 0.000 0.288 182 R C -0.480 175.811 176.300 -0.015 0.000 0.980 182 R CA -0.569 55.523 56.100 -0.014 0.000 0.891 182 R CB 1.380 31.692 30.300 0.020 0.000 1.188 182 R HN 0.691 nan 8.270 nan 0.000 0.450 183 I N -0.903 119.675 120.570 0.014 0.000 3.042 183 I HA 0.497 4.667 4.170 -0.000 0.000 0.310 183 I C -0.962 175.233 176.117 0.130 0.000 1.117 183 I CA -1.507 59.817 61.300 0.041 0.000 1.003 183 I CB 1.625 39.620 38.000 -0.008 0.000 1.228 183 I HN 0.363 nan 8.210 nan 0.000 0.443 184 L N 2.931 124.223 121.223 0.116 0.000 2.418 184 L HA 0.578 4.918 4.340 -0.000 0.000 0.274 184 L C 0.317 177.331 176.870 0.240 0.000 1.135 184 L CA 0.653 55.578 54.840 0.143 0.000 0.870 184 L CB 0.524 42.630 42.059 0.079 0.000 1.154 184 L HN 0.799 nan 8.230 nan 0.000 0.462 185 G N 5.693 114.679 108.800 0.310 0.000 2.335 185 G HA2 0.474 4.434 3.960 -0.000 0.000 0.314 185 G HA3 0.474 4.434 3.960 -0.000 0.000 0.314 185 G C -1.271 173.716 174.900 0.146 0.000 1.129 185 G CA -0.534 44.825 45.100 0.432 0.000 0.912 185 G HN 0.622 nan 8.290 nan 0.000 0.443 186 L N 3.983 125.205 121.223 -0.002 0.000 2.264 186 L HA 0.537 4.877 4.340 -0.000 0.000 0.287 186 L C -0.450 176.022 176.870 -0.662 0.000 1.039 186 L CA -1.037 53.671 54.840 -0.220 0.000 0.829 186 L CB 1.255 43.225 42.059 -0.147 0.000 1.211 186 L HN 0.399 nan 8.230 nan 0.000 0.427 187 L N 5.231 126.054 121.223 -0.665 0.000 2.276 187 L HA 0.457 4.797 4.340 -0.000 0.000 0.286 187 L C -0.677 175.876 176.870 -0.528 0.000 1.061 187 L CA 0.233 54.526 54.840 -0.911 0.000 0.807 187 L CB 0.477 42.126 42.059 -0.684 0.000 1.177 187 L HN 0.425 nan 8.230 nan 0.000 0.429 188 F N 5.711 125.456 119.950 -0.341 0.000 2.685 188 F HA 0.245 4.772 4.527 -0.000 0.000 0.349 188 F C 1.543 177.284 175.800 -0.098 0.000 1.294 188 F CA 0.270 58.165 58.000 -0.175 0.000 1.201 188 F CB -0.654 38.220 39.000 -0.211 0.000 1.615 188 F HN 0.746 nan 8.300 nan 0.000 0.674 189 A N 1.529 124.375 122.820 0.042 0.000 2.015 189 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 189 A C 1.866 179.498 177.584 0.079 0.000 1.163 189 A CA 1.273 53.266 52.037 -0.073 0.000 0.646 189 A CB -0.249 18.595 19.000 -0.260 0.000 0.806 189 A HN 0.549 nan 8.150 nan 0.000 0.448 190 N N -1.782 117.033 118.700 0.191 0.000 2.273 190 N HA 0.095 4.835 4.740 -0.000 0.000 0.231 190 N C -0.409 175.240 175.510 0.231 0.000 1.134 190 N CA -0.091 53.076 53.050 0.195 0.000 0.856 190 N CB 0.069 38.663 38.487 0.178 0.000 1.068 190 N HN 0.639 nan 8.380 nan 0.000 0.510 191 W N 0.965 122.235 121.300 -0.051 0.000 3.078 191 W HA -0.321 4.339 4.660 -0.000 0.000 0.320 191 W C -0.150 176.217 176.519 -0.252 0.000 0.239 191 W CA -0.140 57.087 57.345 -0.196 0.000 0.459 191 W CB -0.516 28.753 29.460 -0.317 0.000 2.859 191 W HN 0.255 nan 8.180 nan 0.000 0.416 192 Y N 0.697 120.441 120.300 -0.927 0.000 2.477 192 Y HA 0.306 4.856 4.550 -0.000 0.000 0.303 192 Y C 1.522 177.243 175.900 -0.299 0.000 1.202 192 Y CA 0.802 58.313 58.100 -0.982 0.000 1.282 192 Y CB -1.084 36.500 38.460 -1.460 0.000 1.071 192 Y HN 0.259 nan 8.280 nan 0.000 0.510 193 S N -1.133 114.532 115.700 -0.058 0.000 2.650 193 S HA 0.029 4.499 4.470 -0.000 0.000 0.240 193 S C 1.206 175.873 174.600 0.110 0.000 1.007 193 S CA -0.186 58.101 58.200 0.144 0.000 0.984 193 S CB -0.664 62.648 63.200 0.188 0.000 0.910 193 S HN 0.578 nan 8.310 nan 0.000 0.509 194 N N 2.777 121.522 118.700 0.074 0.000 2.289 194 N HA -0.029 4.711 4.740 -0.000 0.000 0.184 194 N C 1.267 176.788 175.510 0.018 0.000 1.016 194 N CA 1.521 54.590 53.050 0.031 0.000 0.872 194 N CB -0.997 37.517 38.487 0.045 0.000 0.973 194 N HN 0.494 nan 8.380 nan 0.000 0.433 195 G N -0.273 108.599 108.800 0.120 0.000 3.523 195 G HA2 0.030 3.989 3.960 -0.000 0.000 0.270 195 G HA3 0.030 3.989 3.960 -0.000 0.000 0.270 195 G C -0.039 175.005 174.900 0.240 0.000 1.134 195 G CA -0.518 44.713 45.100 0.218 0.000 0.825 195 G HN 0.267 nan 8.290 nan 0.000 0.534 196 N N 1.423 120.244 118.700 0.202 0.000 2.492 196 N HA 0.093 4.833 4.740 -0.000 0.000 0.262 196 N C 0.372 175.961 175.510 0.133 0.000 1.202 196 N CA 0.102 53.242 53.050 0.151 0.000 0.926 196 N CB 0.103 38.669 38.487 0.131 0.000 1.078 196 N HN 0.353 nan 8.380 nan 0.000 0.454 197 E N 0.871 121.095 120.200 0.040 0.000 2.240 197 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 197 E C -0.528 175.899 176.600 -0.289 0.000 1.385 197 E CA 0.178 56.548 56.400 -0.049 0.000 0.686 197 E CB -1.266 28.435 29.700 0.001 0.000 1.125 197 E HN 0.515 nan 8.360 nan 0.000 0.359 198 I N 1.404 121.728 120.570 -0.409 0.000 2.598 198 I HA 0.088 4.258 4.170 -0.000 0.000 0.284 198 I C -1.688 174.092 176.117 -0.561 0.000 1.140 198 I CA -1.691 59.093 61.300 -0.859 0.000 1.420 198 I CB 0.051 37.791 38.000 -0.433 0.000 1.387 198 I HN -0.027 nan 8.210 nan 0.000 0.553 199 P HA 0.042 nan 4.420 nan 0.000 0.269 199 P C 0.432 177.636 177.300 -0.160 0.000 1.215 199 P CA -0.095 62.824 63.100 -0.302 0.000 0.780 199 P CB 0.523 32.071 31.700 -0.252 0.000 0.898 200 T N -3.735 110.764 114.554 -0.092 0.000 3.132 200 T HA 0.198 4.547 4.350 -0.000 0.000 0.274 200 T C 0.221 174.902 174.700 -0.031 0.000 1.011 200 T CA -0.219 61.850 62.100 -0.051 0.000 0.899 200 T CB -0.714 68.130 68.868 -0.040 0.000 1.089 200 T HN 0.467 nan 8.240 nan 0.000 0.543 201 T N -1.407 113.129 114.554 -0.030 0.000 2.863 201 T HA 0.509 4.858 4.350 -0.000 0.000 0.285 201 T C 0.777 175.477 174.700 -0.000 0.000 1.009 201 T CA -0.776 61.315 62.100 -0.015 0.000 0.989 201 T CB 2.860 71.719 68.868 -0.014 0.000 1.004 201 T HN 0.114 nan 8.240 nan 0.000 0.455 202 E N 1.982 122.184 120.200 0.002 0.000 2.033 202 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 202 E C 2.258 178.875 176.600 0.029 0.000 1.011 202 E CA 1.677 58.083 56.400 0.010 0.000 0.815 202 E CB -0.485 29.211 29.700 -0.007 0.000 0.755 202 E HN 0.825 nan 8.360 nan 0.000 0.451 203 A N 0.674 123.507 122.820 0.021 0.000 1.883 203 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 203 A C 1.988 179.600 177.584 0.048 0.000 1.186 203 A CA 1.981 54.036 52.037 0.030 0.000 0.624 203 A CB -0.657 18.354 19.000 0.019 0.000 0.822 203 A HN 0.306 nan 8.150 nan 0.000 0.444 204 E N 0.052 120.273 120.200 0.035 0.000 2.110 204 E HA -0.002 4.347 4.350 -0.000 0.000 0.193 204 E C 2.209 178.849 176.600 0.067 0.000 0.988 204 E CA 1.303 57.726 56.400 0.038 0.000 0.804 204 E CB -0.498 29.203 29.700 0.002 0.000 0.745 204 E HN 0.580 nan 8.360 nan 0.000 0.458 205 A N 0.932 123.793 122.820 0.068 0.000 1.902 205 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 205 A C 2.052 179.842 177.584 0.343 0.000 1.181 205 A CA 1.461 53.591 52.037 0.154 0.000 0.623 205 A CB -0.340 18.770 19.000 0.183 0.000 0.818 205 A HN 0.073 nan 8.150 nan 0.000 0.443 206 R N -0.635 120.018 120.500 0.254 0.000 2.083 206 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 206 R C 2.100 178.560 176.300 0.267 0.000 1.137 206 R CA 1.620 57.890 56.100 0.284 0.000 0.951 206 R CB -0.599 29.781 30.300 0.134 0.000 0.851 206 R HN 0.520 nan 8.270 nan 0.000 0.434 207 L N -0.450 120.877 121.223 0.173 0.000 2.046 207 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 207 L C 2.341 179.281 176.870 0.116 0.000 1.077 207 L CA 1.258 56.171 54.840 0.123 0.000 0.747 207 L CB -0.467 41.641 42.059 0.082 0.000 0.896 207 L HN 0.138 nan 8.230 nan 0.000 0.432 208 F N -0.275 119.641 119.950 -0.056 0.000 2.051 208 F HA -0.261 4.266 4.527 -0.000 0.000 0.296 208 F C 2.129 177.802 175.800 -0.212 0.000 1.122 208 F CA 1.682 59.557 58.000 -0.209 0.000 1.201 208 F CB -0.389 38.385 39.000 -0.377 0.000 0.978 208 F HN -0.048 nan 8.300 nan 0.000 0.472 209 W N 0.836 122.324 121.300 0.313 0.000 2.388 209 W HA -0.147 4.513 4.660 -0.000 0.000 0.294 209 W C 2.238 178.699 176.519 -0.096 0.000 1.212 209 W CA 0.762 58.158 57.345 0.085 0.000 1.271 209 W CB -0.419 29.041 29.460 -0.001 0.000 1.126 209 W HN -0.002 nan 8.180 nan 0.000 0.535 210 D N 0.119 120.657 120.400 0.229 0.000 2.144 210 D HA -0.190 4.450 4.640 -0.000 0.000 0.199 210 D C 1.856 178.170 176.300 0.024 0.000 0.984 210 D CA 1.386 55.461 54.000 0.125 0.000 0.834 210 D CB -0.411 40.482 40.800 0.155 0.000 0.955 210 D HN 0.150 nan 8.370 nan 0.000 0.465 211 K N 0.604 120.985 120.400 -0.033 0.000 1.984 211 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 211 K C 1.872 178.391 176.600 -0.135 0.000 1.046 211 K CA 1.057 57.283 56.287 -0.101 0.000 0.934 211 K CB 0.164 32.568 32.500 -0.160 0.000 0.717 211 K HN -0.196 nan 8.250 nan 0.000 0.438 212 K N 1.048 121.306 120.400 -0.236 0.000 2.057 212 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 212 K C 1.974 178.574 176.600 -0.001 0.000 1.049 212 K CA 1.184 57.345 56.287 -0.210 0.000 0.931 212 K CB -0.312 31.902 32.500 -0.476 0.000 0.714 212 K HN 0.171 nan 8.250 nan 0.000 0.440 213 L N -0.267 120.987 121.223 0.052 0.000 2.017 213 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 213 L C 2.378 179.255 176.870 0.012 0.000 1.073 213 L CA 1.424 56.273 54.840 0.015 0.000 0.745 213 L CB -0.707 41.226 42.059 -0.210 0.000 0.894 213 L HN 0.168 nan 8.230 nan 0.000 0.432 214 A N 0.046 122.858 122.820 -0.012 0.000 1.883 214 A HA -0.257 4.062 4.320 -0.000 0.000 0.217 214 A C 1.926 179.473 177.584 -0.063 0.000 1.186 214 A CA 2.151 54.174 52.037 -0.024 0.000 0.624 214 A CB -0.634 18.351 19.000 -0.025 0.000 0.822 214 A HN 0.369 nan 8.150 nan 0.000 0.444 215 D N -0.007 120.359 120.400 -0.057 0.000 2.104 215 D HA -0.098 4.542 4.640 -0.000 0.000 0.194 215 D C 2.233 178.512 176.300 -0.034 0.000 0.994 215 D CA 1.778 55.743 54.000 -0.058 0.000 0.830 215 D CB -0.465 40.324 40.800 -0.018 0.000 0.959 215 D HN 0.436 nan 8.370 nan 0.000 0.452 216 A N 0.745 123.588 122.820 0.039 0.000 1.897 216 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 216 A C 2.034 179.663 177.584 0.075 0.000 1.181 216 A CA 1.300 53.404 52.037 0.111 0.000 0.620 216 A CB -0.495 18.587 19.000 0.138 0.000 0.821 216 A HN 0.194 nan 8.150 nan 0.000 0.443 217 E N -0.653 119.564 120.200 0.028 0.000 2.204 217 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 217 E C 2.146 178.707 176.600 -0.065 0.000 0.990 217 E CA 0.628 57.039 56.400 0.018 0.000 0.821 217 E CB -0.158 29.564 29.700 0.037 0.000 0.750 217 E HN 0.521 nan 8.360 nan 0.000 0.477 218 R N -0.296 120.053 120.500 -0.251 0.000 2.139 218 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 218 R C 0.857 176.812 176.300 -0.576 0.000 1.145 218 R CA 1.370 57.136 56.100 -0.557 0.000 0.976 218 R CB 0.075 29.765 30.300 -1.016 0.000 0.866 218 R HN 0.174 nan 8.270 nan 0.000 0.449 219 F N -1.683 118.345 119.950 0.129 0.000 2.784 219 F HA 0.391 4.918 4.527 -0.000 0.000 0.323 219 F C 0.539 176.511 175.800 0.287 0.000 1.085 219 F CA -0.553 57.557 58.000 0.183 0.000 1.196 219 F CB -0.085 38.985 39.000 0.118 0.000 1.053 219 F HN -0.146 nan 8.300 nan 0.000 0.578 220 A N 0.842 123.852 122.820 0.317 0.000 2.488 220 A HA 0.362 4.682 4.320 -0.000 0.000 0.249 220 A C 1.409 179.039 177.584 0.076 0.000 1.083 220 A CA 0.574 52.734 52.037 0.206 0.000 0.768 220 A CB 0.053 19.137 19.000 0.140 0.000 1.017 220 A HN 0.348 nan 8.150 nan 0.000 0.496 221 S N 1.238 116.841 115.700 -0.162 0.000 2.558 221 S HA 0.147 4.617 4.470 -0.000 0.000 0.217 221 S C 0.800 175.200 174.600 -0.333 0.000 0.975 221 S CA 0.725 58.529 58.200 -0.661 0.000 0.912 221 S CB -0.518 62.093 63.200 -0.982 0.000 0.776 221 S HN 1.355 nan 8.310 nan 0.000 0.526 222 T N -0.821 113.647 114.554 -0.142 0.000 2.831 222 T HA 0.472 4.821 4.350 -0.000 0.000 0.287 222 T C 0.461 175.113 174.700 -0.081 0.000 1.070 222 T CA -0.694 61.353 62.100 -0.088 0.000 1.010 222 T CB 1.570 70.440 68.868 0.003 0.000 1.264 222 T HN 0.157 nan 8.240 nan 0.000 0.532 223 K N -0.714 119.582 120.400 -0.174 0.000 2.504 223 K HA -0.013 4.307 4.320 -0.000 0.000 0.195 223 K C 0.188 176.618 176.600 -0.282 0.000 1.036 223 K CA 0.438 56.565 56.287 -0.265 0.000 0.984 223 K CB -0.367 31.913 32.500 -0.367 0.000 0.788 223 K HN 0.581 nan 8.250 nan 0.000 0.488 224 H N 1.797 120.887 119.070 0.034 0.000 2.846 224 H HA 0.206 4.762 4.556 -0.000 0.000 0.278 224 H C -0.365 175.130 175.328 0.278 0.000 1.117 224 H CA -0.387 55.758 56.048 0.161 0.000 1.406 224 H CB 0.453 30.201 29.762 -0.023 0.000 1.445 224 H HN 0.089 nan 8.280 nan 0.000 0.469 225 L N 4.369 125.814 121.223 0.371 0.000 2.307 225 L HA 0.209 4.549 4.340 -0.000 0.000 0.282 225 L C 0.082 177.109 176.870 0.261 0.000 1.051 225 L CA -0.932 54.075 54.840 0.277 0.000 0.804 225 L CB 1.383 43.548 42.059 0.176 0.000 1.197 225 L HN 0.261 nan 8.230 nan 0.000 0.431 226 L N 5.032 126.319 121.223 0.108 0.000 2.265 226 L HA 0.466 4.806 4.340 -0.000 0.000 0.289 226 L C -0.511 176.372 176.870 0.022 0.000 1.033 226 L CA -0.059 54.694 54.840 -0.144 0.000 0.814 226 L CB 0.938 42.757 42.059 -0.401 0.000 1.203 226 L HN 0.473 nan 8.230 nan 0.000 0.423 227 M N 6.595 126.232 119.600 0.063 0.000 2.072 227 M HA 0.387 4.867 4.480 -0.000 0.000 0.331 227 M C -0.858 175.496 176.300 0.090 0.000 1.004 227 M CA -0.469 54.922 55.300 0.152 0.000 0.952 227 M CB 1.558 34.362 32.600 0.341 0.000 1.511 227 M HN 0.456 nan 8.290 nan 0.000 0.422 228 M N 3.289 122.936 119.600 0.078 0.000 2.151 228 M HA 0.189 4.669 4.480 -0.000 0.000 0.349 228 M C 0.362 176.800 176.300 0.229 0.000 1.284 228 M CA 0.151 55.502 55.300 0.086 0.000 1.173 228 M CB -0.450 32.121 32.600 -0.047 0.000 1.469 228 M HN 0.530 nan 8.290 nan 0.000 0.439 229 N N 2.809 121.652 118.700 0.238 0.000 2.968 229 N HA 0.399 5.139 4.740 -0.000 0.000 0.271 229 N C -0.347 175.195 175.510 0.053 0.000 1.174 229 N CA 0.103 53.257 53.050 0.173 0.000 1.096 229 N CB 0.394 38.980 38.487 0.166 0.000 1.403 229 N HN 0.874 nan 8.380 nan 0.000 0.522 230 G N 0.618 109.388 108.800 -0.051 0.000 2.315 230 G HA2 0.373 4.333 3.960 -0.000 0.000 0.294 230 G HA3 0.373 4.333 3.960 -0.000 0.000 0.294 230 G C -1.807 173.020 174.900 -0.122 0.000 1.300 230 G CA -0.413 44.454 45.100 -0.389 0.000 0.843 230 G HN 0.524 nan 8.290 nan 0.000 0.527 231 C N -1.422 117.854 119.300 -0.041 0.000 3.263 231 C HA 0.583 5.043 4.460 -0.000 0.000 0.369 231 C C -1.288 173.870 174.990 0.279 0.000 1.634 231 C CA -0.603 58.578 59.018 0.272 0.000 1.143 231 C CB 0.826 28.701 27.740 0.225 0.000 1.910 231 C HN 0.856 nan 8.230 nan 0.000 0.425 232 D N 1.220 121.829 120.400 0.349 0.000 2.472 232 D HA 0.262 4.902 4.640 -0.000 0.000 0.248 232 D C 0.443 176.772 176.300 0.048 0.000 1.174 232 D CA 1.198 55.304 54.000 0.176 0.000 0.883 232 D CB -0.184 40.815 40.800 0.332 0.000 1.149 232 D HN 0.716 nan 8.370 nan 0.000 0.488 233 H N -0.603 118.455 119.070 -0.019 0.000 2.731 233 H HA -0.257 4.298 4.556 -0.000 0.000 0.305 233 H C 0.157 175.570 175.328 0.143 0.000 1.132 233 H CA 0.518 56.407 56.048 -0.266 0.000 1.148 233 H CB -1.309 28.135 29.762 -0.530 0.000 1.379 233 H HN 0.321 nan 8.280 nan 0.000 0.398 234 Q N 1.650 121.623 119.800 0.289 0.000 2.297 234 Q HA 0.230 4.570 4.340 -0.000 0.000 0.267 234 Q C -2.336 173.860 176.000 0.326 0.000 1.006 234 Q CA -1.728 54.226 55.803 0.252 0.000 0.896 234 Q CB 0.910 29.744 28.738 0.158 0.000 1.186 234 Q HN 0.148 nan 8.270 nan 0.000 0.392 235 P HA -0.080 nan 4.420 nan 0.000 0.269 235 P C -0.997 176.409 177.300 0.177 0.000 1.215 235 P CA -0.327 62.889 63.100 0.195 0.000 0.780 235 P CB 0.551 32.328 31.700 0.129 0.000 0.898 236 V N 2.830 122.802 119.914 0.097 0.000 2.673 236 V HA -0.052 4.068 4.120 -0.000 0.000 0.303 236 V C 0.348 176.543 176.094 0.168 0.000 1.046 236 V CA 0.086 62.483 62.300 0.162 0.000 1.126 236 V CB 0.257 32.006 31.823 -0.124 0.000 0.934 236 V HN 0.476 nan 8.190 nan 0.000 0.487 237 Q N 5.024 124.982 119.800 0.264 0.000 2.381 237 Q HA 0.204 4.544 4.340 -0.000 0.000 0.243 237 Q C 0.698 176.830 176.000 0.221 0.000 1.154 237 Q CA -0.145 55.772 55.803 0.190 0.000 0.899 237 Q CB 0.531 29.362 28.738 0.154 0.000 1.396 237 Q HN 0.918 nan 8.270 nan 0.000 0.485 238 L N 2.743 124.036 121.223 0.118 0.000 2.201 238 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 238 L C 0.984 177.926 176.870 0.120 0.000 1.105 238 L CA 0.858 55.750 54.840 0.087 0.000 0.775 238 L CB -0.136 41.923 42.059 0.001 0.000 0.913 238 L HN 0.673 nan 8.230 nan 0.000 0.440 239 D N -1.547 118.906 120.400 0.090 0.000 2.525 239 D HA -0.032 4.608 4.640 -0.000 0.000 0.229 239 D C 1.539 177.865 176.300 0.042 0.000 1.202 239 D CA -0.090 53.947 54.000 0.062 0.000 0.828 239 D CB -0.017 40.796 40.800 0.023 0.000 1.008 239 D HN -0.040 nan 8.370 nan 0.000 0.493 240 V N 0.232 120.186 119.914 0.067 0.000 2.490 240 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 240 V C 1.974 177.990 176.094 -0.131 0.000 1.061 240 V CA 2.274 64.542 62.300 -0.052 0.000 1.064 240 V CB -0.434 31.316 31.823 -0.122 0.000 0.670 240 V HN 0.310 nan 8.190 nan 0.000 0.461 241 T N -0.169 114.340 114.554 -0.075 0.000 2.684 241 T HA -0.250 4.100 4.350 -0.000 0.000 0.267 241 T C 1.879 176.559 174.700 -0.034 0.000 1.036 241 T CA 2.091 64.155 62.100 -0.060 0.000 1.148 241 T CB -0.274 68.619 68.868 0.042 0.000 0.863 241 T HN 0.541 nan 8.240 nan 0.000 0.436 242 K N 0.954 121.348 120.400 -0.010 0.000 2.063 242 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 242 K C 2.458 179.037 176.600 -0.035 0.000 1.048 242 K CA 1.355 57.633 56.287 -0.015 0.000 0.928 242 K CB -0.330 32.167 32.500 -0.005 0.000 0.713 242 K HN 0.286 nan 8.250 nan 0.000 0.442 243 A N 1.213 124.008 122.820 -0.041 0.000 1.902 243 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 243 A C 2.090 179.643 177.584 -0.051 0.000 1.181 243 A CA 1.531 53.545 52.037 -0.039 0.000 0.623 243 A CB -0.515 18.458 19.000 -0.046 0.000 0.818 243 A HN 0.361 nan 8.150 nan 0.000 0.443 244 I N -0.396 120.129 120.570 -0.074 0.000 2.252 244 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 244 I C 2.955 178.990 176.117 -0.137 0.000 1.102 244 I CA 0.901 62.134 61.300 -0.112 0.000 1.385 244 I CB -0.308 37.651 38.000 -0.068 0.000 1.064 244 I HN 0.354 nan 8.210 nan 0.000 0.414 245 A N 0.814 123.587 122.820 -0.079 0.000 1.902 245 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 245 A C 2.257 179.789 177.584 -0.086 0.000 1.181 245 A CA 1.598 53.599 52.037 -0.059 0.000 0.623 245 A CB -0.832 18.151 19.000 -0.028 0.000 0.818 245 A HN 0.380 nan 8.150 nan 0.000 0.443 246 L N -0.116 121.053 121.223 -0.092 0.000 2.012 246 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 246 L C 2.690 179.461 176.870 -0.165 0.000 1.073 246 L CA 2.360 57.145 54.840 -0.090 0.000 0.748 246 L CB -0.918 41.112 42.059 -0.049 0.000 0.891 246 L HN 0.355 nan 8.230 nan 0.000 0.431 247 A N -0.402 122.218 122.820 -0.333 0.000 1.883 247 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 247 A C 2.143 179.378 177.584 -0.582 0.000 1.186 247 A CA 2.023 53.585 52.037 -0.792 0.000 0.624 247 A CB -0.906 16.970 19.000 -1.873 0.000 0.822 247 A HN 0.652 nan 8.150 nan 0.000 0.444 248 N N -0.433 118.075 118.700 -0.320 0.000 2.149 248 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 248 N C 1.793 177.322 175.510 0.032 0.000 1.019 248 N CA 1.342 54.419 53.050 0.045 0.000 0.857 248 N CB -0.271 38.259 38.487 0.071 0.000 0.997 248 N HN 0.463 nan 8.380 nan 0.000 0.426 249 Q N 0.582 120.358 119.800 -0.041 0.000 2.172 249 Q HA 0.070 4.410 4.340 -0.000 0.000 0.200 249 Q C 2.257 178.212 176.000 -0.076 0.000 0.964 249 Q CA 0.560 56.339 55.803 -0.040 0.000 0.855 249 Q CB -0.198 28.512 28.738 -0.048 0.000 0.918 249 Q HN 0.447 nan 8.270 nan 0.000 0.444 250 L N -1.339 119.802 121.223 -0.137 0.000 2.270 250 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 250 L C 0.126 176.686 176.870 -0.517 0.000 1.104 250 L CA 0.571 55.211 54.840 -0.332 0.000 0.804 250 L CB 0.069 41.884 42.059 -0.407 0.000 0.937 250 L HN 0.103 nan 8.230 nan 0.000 0.450 251 Y N -0.545 119.776 120.300 0.036 0.000 2.748 251 Y HA 0.271 4.821 4.550 -0.000 0.000 0.359 251 Y C -1.587 174.433 175.900 0.200 0.000 1.030 251 Y CA -2.207 55.986 58.100 0.156 0.000 1.169 251 Y CB 0.275 38.873 38.460 0.230 0.000 1.127 251 Y HN -0.103 nan 8.280 nan 0.000 0.644 252 P HA -0.168 nan 4.420 nan 0.000 0.218 252 P C 0.344 177.726 177.300 0.137 0.000 1.146 252 P CA 1.536 64.718 63.100 0.137 0.000 0.813 252 P CB 0.529 32.272 31.700 0.073 0.000 0.778 253 D N -2.206 118.312 120.400 0.196 0.000 2.339 253 D HA 0.056 4.696 4.640 -0.000 0.000 0.217 253 D C -0.056 176.160 176.300 -0.140 0.000 1.050 253 D CA 0.359 54.383 54.000 0.039 0.000 0.856 253 D CB -0.298 40.510 40.800 0.013 0.000 0.922 253 D HN 0.283 nan 8.370 nan 0.000 0.518 254 Y N 0.558 120.847 120.300 -0.018 0.000 2.361 254 Y HA 0.216 4.766 4.550 -0.000 0.000 0.337 254 Y C 0.236 175.995 175.900 -0.236 0.000 0.965 254 Y CA -0.980 56.979 58.100 -0.235 0.000 1.091 254 Y CB 1.777 39.969 38.460 -0.446 0.000 1.182 254 Y HN -0.283 nan 8.280 nan 0.000 0.450 255 E N 4.695 124.778 120.200 -0.194 0.000 2.044 255 E HA 0.271 4.621 4.350 -0.000 0.000 0.282 255 E C -1.522 174.935 176.600 -0.239 0.000 1.031 255 E CA -0.422 55.903 56.400 -0.126 0.000 0.824 255 E CB 0.411 30.041 29.700 -0.116 0.000 1.076 255 E HN 0.480 nan 8.360 nan 0.000 0.395 256 F N 3.908 123.797 119.950 -0.101 0.000 2.411 256 F HA 0.255 4.781 4.527 -0.000 0.000 0.350 256 F C 0.215 175.946 175.800 -0.116 0.000 1.114 256 F CA -0.581 57.331 58.000 -0.146 0.000 1.135 256 F CB 1.390 40.257 39.000 -0.222 0.000 1.120 256 F HN 0.175 nan 8.300 nan 0.000 0.495 257 V N 0.264 120.189 119.914 0.018 0.000 2.760 257 V HA 0.398 4.518 4.120 -0.000 0.000 0.309 257 V C -0.677 175.429 176.094 0.019 0.000 1.077 257 V CA -0.880 61.404 62.300 -0.027 0.000 0.910 257 V CB 1.448 33.181 31.823 -0.150 0.000 1.008 257 V HN 0.850 nan 8.190 nan 0.000 0.424 258 H N 2.596 121.603 119.070 -0.105 0.000 3.017 258 H HA 0.513 5.069 4.556 -0.000 0.000 0.276 258 H C 0.132 175.259 175.328 -0.335 0.000 1.062 258 H CA 0.625 56.585 56.048 -0.148 0.000 1.486 258 H CB 0.889 30.580 29.762 -0.118 0.000 1.507 258 H HN 0.945 nan 8.280 nan 0.000 0.508 259 S N 3.117 118.651 115.700 -0.277 0.000 2.823 259 S HA 0.672 5.142 4.470 -0.000 0.000 0.316 259 S C -0.808 173.610 174.600 -0.304 0.000 1.116 259 S CA -0.244 57.733 58.200 -0.371 0.000 0.911 259 S CB 0.935 64.131 63.200 -0.006 0.000 1.276 259 S HN 0.855 nan 8.310 nan 0.000 0.565 260 C N -0.854 118.352 119.300 -0.157 0.000 3.291 260 C HA 0.705 5.165 4.460 -0.000 0.000 0.316 260 C C 0.897 175.839 174.990 -0.080 0.000 1.391 260 C CA -0.739 58.227 59.018 -0.088 0.000 1.394 260 C CB -0.681 27.132 27.740 0.120 0.000 1.744 260 C HN 0.799 nan 8.230 nan 0.000 0.461 261 F N 0.702 120.640 119.950 -0.020 0.000 2.171 261 F HA -0.003 4.524 4.527 -0.000 0.000 0.300 261 F C 2.509 178.330 175.800 0.035 0.000 1.090 261 F CA 2.209 60.196 58.000 -0.022 0.000 1.293 261 F CB -0.322 38.594 39.000 -0.140 0.000 1.013 261 F HN 0.907 nan 8.300 nan 0.000 0.486 262 E N 0.281 120.606 120.200 0.209 0.000 2.058 262 E HA -0.232 4.117 4.350 -0.000 0.000 0.194 262 E C 1.701 178.350 176.600 0.081 0.000 0.997 262 E CA 1.797 58.271 56.400 0.122 0.000 0.801 262 E CB -0.050 29.707 29.700 0.096 0.000 0.746 262 E HN 0.255 nan 8.360 nan 0.000 0.450 263 D N -0.512 119.939 120.400 0.085 0.000 2.144 263 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 263 D C 1.628 177.935 176.300 0.010 0.000 0.978 263 D CA 0.805 54.839 54.000 0.057 0.000 0.833 263 D CB -0.476 40.370 40.800 0.077 0.000 0.961 263 D HN 0.283 nan 8.370 nan 0.000 0.470 264 Y N 1.481 121.707 120.300 -0.123 0.000 2.128 264 Y HA -0.171 4.379 4.550 -0.000 0.000 0.284 264 Y C 2.170 177.923 175.900 -0.245 0.000 1.154 264 Y CA 1.343 59.238 58.100 -0.342 0.000 1.149 264 Y CB -0.432 37.833 38.460 -0.325 0.000 0.976 264 Y HN -0.092 nan 8.280 nan 0.000 0.505 265 L N -0.561 120.606 121.223 -0.093 0.000 2.046 265 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 265 L C 2.790 179.543 176.870 -0.194 0.000 1.077 265 L CA 1.133 55.891 54.840 -0.137 0.000 0.747 265 L CB -1.079 40.985 42.059 0.008 0.000 0.896 265 L HN 0.306 nan 8.230 nan 0.000 0.432 266 A N 0.084 122.820 122.820 -0.141 0.000 1.883 266 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 266 A C 1.951 179.407 177.584 -0.213 0.000 1.186 266 A CA 2.267 54.227 52.037 -0.129 0.000 0.624 266 A CB -0.622 18.336 19.000 -0.070 0.000 0.822 266 A HN 0.357 nan 8.150 nan 0.000 0.444 267 D N -0.212 119.982 120.400 -0.345 0.000 2.117 267 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 267 D C 1.955 177.876 176.300 -0.632 0.000 0.987 267 D CA 0.779 54.440 54.000 -0.565 0.000 0.829 267 D CB -0.339 39.914 40.800 -0.911 0.000 0.961 267 D HN 0.412 nan 8.370 nan 0.000 0.460 268 L N 0.575 121.406 121.223 -0.653 0.000 2.012 268 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 268 L C 2.446 179.178 176.870 -0.229 0.000 1.073 268 L CA 1.231 55.808 54.840 -0.438 0.000 0.748 268 L CB -0.428 41.352 42.059 -0.465 0.000 0.891 268 L HN 0.008 nan 8.230 nan 0.000 0.431 269 A N -0.238 122.465 122.820 -0.195 0.000 1.948 269 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 269 A C 1.865 179.396 177.584 -0.089 0.000 1.177 269 A CA 2.217 54.185 52.037 -0.114 0.000 0.636 269 A CB -0.546 18.399 19.000 -0.093 0.000 0.815 269 A HN 0.412 nan 8.150 nan 0.000 0.449 270 D N -0.331 120.010 120.400 -0.097 0.000 2.178 270 D HA -0.067 4.573 4.640 -0.000 0.000 0.202 270 D C 0.743 177.022 176.300 -0.036 0.000 0.974 270 D CA 1.270 55.237 54.000 -0.055 0.000 0.841 270 D CB -0.178 40.597 40.800 -0.042 0.000 0.953 270 D HN 0.423 nan 8.370 nan 0.000 0.478 271 D N -0.478 119.900 120.400 -0.037 0.000 2.441 271 D HA 0.110 4.750 4.640 -0.000 0.000 0.210 271 D C 0.631 176.903 176.300 -0.047 0.000 1.102 271 D CA -0.185 53.808 54.000 -0.011 0.000 0.840 271 D CB 0.841 41.686 40.800 0.075 0.000 0.990 271 D HN 0.155 nan 8.370 nan 0.000 0.505 272 L N 3.377 124.560 121.223 -0.067 0.000 2.540 272 L HA 0.082 4.422 4.340 -0.000 0.000 0.276 272 L C -1.569 175.256 176.870 -0.075 0.000 1.212 272 L CA -0.826 53.965 54.840 -0.082 0.000 0.893 272 L CB 0.109 42.127 42.059 -0.070 0.000 1.138 272 L HN -0.097 nan 8.230 nan 0.000 0.491 273 P HA 0.128 nan 4.420 nan 0.000 0.279 273 P C -0.324 176.955 177.300 -0.035 0.000 1.282 273 P CA -0.390 62.664 63.100 -0.077 0.000 0.788 273 P CB 0.730 32.355 31.700 -0.124 0.000 1.139 274 E N -0.140 120.056 120.200 -0.008 0.000 2.479 274 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 274 E C 0.608 177.234 176.600 0.043 0.000 1.049 274 E CA 0.323 56.732 56.400 0.015 0.000 0.870 274 E CB -0.417 29.292 29.700 0.014 0.000 0.944 274 E HN 0.501 nan 8.360 nan 0.000 0.492 275 N N 1.277 120.016 118.700 0.064 0.000 2.451 275 N HA 0.040 4.779 4.740 -0.000 0.000 0.264 275 N C 0.019 175.662 175.510 0.222 0.000 1.167 275 N CA -0.108 53.020 53.050 0.130 0.000 0.898 275 N CB -0.029 38.551 38.487 0.156 0.000 1.176 275 N HN 0.045 nan 8.380 nan 0.000 0.507 276 L N 0.943 122.265 121.223 0.164 0.000 2.453 276 L HA 0.111 4.451 4.340 -0.000 0.000 0.272 276 L C 0.606 177.582 176.870 0.176 0.000 1.182 276 L CA -0.168 54.804 54.840 0.222 0.000 0.858 276 L CB 0.540 42.681 42.059 0.136 0.000 1.120 276 L HN 0.094 nan 8.230 nan 0.000 0.474 277 S N 1.482 117.289 115.700 0.178 0.000 2.558 277 S HA 0.050 4.520 4.470 -0.000 0.000 0.288 277 S C 0.225 174.872 174.600 0.079 0.000 1.318 277 S CA -0.351 57.901 58.200 0.086 0.000 1.056 277 S CB 0.570 63.792 63.200 0.036 0.000 0.853 277 S HN 0.561 nan 8.310 nan 0.000 0.505 278 T N 2.951 117.537 114.554 0.053 0.000 2.845 278 T HA 0.445 4.794 4.350 -0.000 0.000 0.288 278 T C -0.338 174.379 174.700 0.029 0.000 0.980 278 T CA -0.427 61.709 62.100 0.059 0.000 1.071 278 T CB 0.793 69.693 68.868 0.053 0.000 0.941 278 T HN 0.318 nan 8.240 nan 0.000 0.487 279 V N 3.790 123.738 119.914 0.056 0.000 2.487 279 V HA 0.432 4.552 4.120 -0.000 0.000 0.298 279 V C -0.270 175.910 176.094 0.142 0.000 1.028 279 V CA -0.842 61.470 62.300 0.019 0.000 0.860 279 V CB 1.728 33.506 31.823 -0.075 0.000 0.991 279 V HN 0.802 nan 8.190 nan 0.000 0.427 280 Q N 3.947 123.812 119.800 0.110 0.000 2.314 280 Q HA 0.677 5.017 4.340 -0.000 0.000 0.259 280 Q C 0.259 176.407 176.000 0.247 0.000 0.951 280 Q CA 0.924 56.828 55.803 0.168 0.000 0.909 280 Q CB 1.319 30.104 28.738 0.078 0.000 1.236 280 Q HN 1.287 nan 8.270 nan 0.000 0.444 281 G N 2.982 111.965 108.800 0.305 0.000 2.527 281 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.227 281 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.227 281 G C -0.834 174.285 174.900 0.365 0.000 1.291 281 G CA -0.186 45.075 45.100 0.270 0.000 0.904 281 G HN 0.988 nan 8.290 nan 0.000 0.577 282 E N -0.304 120.044 120.200 0.247 0.000 2.390 282 E HA 0.487 4.837 4.350 -0.000 0.000 0.261 282 E C -0.184 176.475 176.600 0.098 0.000 1.076 282 E CA -0.348 56.181 56.400 0.214 0.000 0.905 282 E CB 0.977 30.800 29.700 0.205 0.000 0.984 282 E HN 0.587 nan 8.360 nan 0.000 0.427 283 I N 2.878 123.453 120.570 0.009 0.000 2.437 283 I HA 0.131 4.301 4.170 -0.000 0.000 0.279 283 I C -0.119 175.946 176.117 -0.087 0.000 1.028 283 I CA -0.490 60.705 61.300 -0.175 0.000 1.142 283 I CB 1.563 39.328 38.000 -0.393 0.000 1.266 283 I HN 0.735 nan 8.210 nan 0.000 0.461 284 T N -0.856 113.619 114.554 -0.131 0.000 3.516 284 T HA 0.174 4.524 4.350 -0.000 0.000 0.300 284 T C 0.479 175.184 174.700 0.008 0.000 0.995 284 T CA -0.409 61.696 62.100 0.009 0.000 0.982 284 T CB 0.169 69.043 68.868 0.010 0.000 1.199 284 T HN 0.403 nan 8.240 nan 0.000 0.481 285 S N 1.005 116.677 115.700 -0.047 0.000 3.698 285 S HA -0.232 4.238 4.470 -0.000 0.000 0.338 285 S C 1.302 175.953 174.600 0.084 0.000 1.089 285 S CA 1.008 59.216 58.200 0.014 0.000 0.991 285 S CB -1.731 61.519 63.200 0.085 0.000 0.909 285 S HN 0.739 nan 8.310 nan 0.000 0.485 286 Q N 0.955 120.694 119.800 -0.103 0.000 2.135 286 Q HA -0.071 4.269 4.340 -0.000 0.000 0.204 286 Q C 1.216 177.300 176.000 0.140 0.000 0.981 286 Q CA 1.505 57.286 55.803 -0.036 0.000 0.856 286 Q CB -0.013 28.537 28.738 -0.313 0.000 0.902 286 Q HN 0.747 nan 8.270 nan 0.000 0.425 287 E N 0.616 120.801 120.200 -0.025 0.000 2.434 287 E HA 0.108 4.458 4.350 -0.000 0.000 0.243 287 E C -0.471 175.910 176.600 -0.365 0.000 1.250 287 E CA -0.125 56.078 56.400 -0.328 0.000 1.568 287 E CB 0.334 29.614 29.700 -0.699 0.000 1.435 287 E HN 0.288 nan 8.360 nan 0.000 0.432 288 T N -3.036 111.534 114.554 0.028 0.000 2.807 288 T HA 0.127 4.477 4.350 -0.000 0.000 0.277 288 T C 0.810 175.541 174.700 0.052 0.000 1.006 288 T CA -0.712 61.408 62.100 0.034 0.000 1.006 288 T CB 1.234 70.095 68.868 -0.012 0.000 1.274 288 T HN -0.012 nan 8.240 nan 0.000 0.569 289 D N -1.117 119.247 120.400 -0.059 0.000 2.363 289 D HA 0.187 4.827 4.640 -0.000 0.000 0.220 289 D C 1.683 177.459 176.300 -0.872 0.000 0.994 289 D CA 0.917 54.789 54.000 -0.214 0.000 0.890 289 D CB -0.840 39.969 40.800 0.014 0.000 0.906 289 D HN 1.303 nan 8.370 nan 0.000 0.530 290 G N -0.431 107.704 108.800 -1.109 0.000 2.179 290 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.260 290 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.260 290 G C 0.786 175.043 174.900 -1.072 0.000 0.977 290 G CA 0.252 44.157 45.100 -1.991 0.000 0.641 290 G HN 0.408 nan 8.290 nan 0.000 0.533 291 W N -0.917 119.953 121.300 -0.717 0.000 2.658 291 W HA 0.417 5.077 4.660 -0.000 0.000 0.263 291 W C 1.241 177.197 176.519 -0.938 0.000 1.274 291 W CA 0.567 57.415 57.345 -0.827 0.000 1.343 291 W CB 0.204 29.039 29.460 -1.042 0.000 1.106 291 W HN 0.338 nan 8.180 nan 0.000 0.615 292 Y N -0.533 119.785 120.300 0.029 0.000 2.698 292 Y HA 0.131 4.681 4.550 -0.000 0.000 0.261 292 Y C 1.887 177.767 175.900 -0.033 0.000 1.104 292 Y CA -0.102 57.993 58.100 -0.009 0.000 1.145 292 Y CB -0.698 37.735 38.460 -0.045 0.000 1.191 292 Y HN -0.148 nan 8.280 nan 0.000 0.564 293 T N -2.925 111.661 114.554 0.053 0.000 3.023 293 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 293 T C 1.186 175.961 174.700 0.125 0.000 1.093 293 T CA 0.797 62.960 62.100 0.105 0.000 1.129 293 T CB -0.333 68.616 68.868 0.135 0.000 0.899 293 T HN 0.462 nan 8.240 nan 0.000 0.491 294 L N -0.873 120.403 121.223 0.089 0.000 4.496 294 L HA -0.264 4.076 4.340 -0.000 0.000 0.419 294 L C 1.894 178.901 176.870 0.228 0.000 1.139 294 L CA 0.149 55.056 54.840 0.113 0.000 0.975 294 L CB -2.455 39.495 42.059 -0.181 0.000 2.099 294 L HN 0.430 nan 8.230 nan 0.000 0.818 295 A N -0.050 122.877 122.820 0.179 0.000 2.019 295 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 295 A C 1.691 179.246 177.584 -0.048 0.000 1.164 295 A CA 2.109 54.196 52.037 0.083 0.000 0.644 295 A CB -0.495 18.488 19.000 -0.028 0.000 0.805 295 A HN 0.728 nan 8.150 nan 0.000 0.449 296 N N -0.136 118.582 118.700 0.029 0.000 2.571 296 N HA -0.075 4.665 4.740 -0.000 0.000 0.189 296 N C 1.503 177.045 175.510 0.053 0.000 1.154 296 N CA 1.129 54.187 53.050 0.013 0.000 0.907 296 N CB -0.238 38.274 38.487 0.042 0.000 0.977 296 N HN 0.689 nan 8.380 nan 0.000 0.449 297 T N -2.159 112.475 114.554 0.133 0.000 2.897 297 T HA -0.121 4.229 4.350 -0.000 0.000 0.271 297 T C 1.962 176.720 174.700 0.096 0.000 1.084 297 T CA 0.969 63.159 62.100 0.150 0.000 1.123 297 T CB -0.319 68.749 68.868 0.333 0.000 0.865 297 T HN 0.199 nan 8.240 nan 0.000 0.496 298 A N 1.994 124.840 122.820 0.043 0.000 2.019 298 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 298 A C 2.539 180.116 177.584 -0.012 0.000 1.164 298 A CA 1.756 53.797 52.037 0.006 0.000 0.644 298 A CB -0.677 18.231 19.000 -0.154 0.000 0.805 298 A HN 0.759 nan 8.150 nan 0.000 0.449 299 S N -1.381 114.303 115.700 -0.026 0.000 2.539 299 S HA 0.591 5.061 4.470 -0.000 0.000 0.221 299 S C 0.719 175.302 174.600 -0.028 0.000 0.987 299 S CA 0.289 58.474 58.200 -0.025 0.000 0.929 299 S CB -0.294 62.888 63.200 -0.031 0.000 0.832 299 S HN 0.809 nan 8.310 nan 0.000 0.492 300 A N 2.378 125.180 122.820 -0.029 0.000 2.492 300 A HA 0.503 4.823 4.320 -0.000 0.000 0.254 300 A C 0.743 178.247 177.584 -0.134 0.000 1.091 300 A CA -0.447 51.556 52.037 -0.057 0.000 0.768 300 A CB -0.434 18.531 19.000 -0.058 0.000 1.028 300 A HN 0.554 nan 8.150 nan 0.000 0.498 301 R N 1.744 122.160 120.500 -0.139 0.000 3.092 301 R HA -0.200 4.140 4.340 -0.000 0.000 0.245 301 R C 0.490 176.547 176.300 -0.406 0.000 0.881 301 R CA 0.631 56.530 56.100 -0.335 0.000 0.614 301 R CB -1.810 28.112 30.300 -0.629 0.000 1.128 301 R HN 0.808 nan 8.270 nan 0.000 0.483 302 I N 0.388 120.887 120.570 -0.119 0.000 2.248 302 I HA -0.388 3.782 4.170 -0.000 0.000 0.248 302 I C 2.380 178.490 176.117 -0.011 0.000 1.107 302 I CA 2.043 63.320 61.300 -0.039 0.000 1.373 302 I CB -0.365 37.657 38.000 0.036 0.000 1.055 302 I HN 0.549 nan 8.210 nan 0.000 0.418 303 Y N 0.355 120.712 120.300 0.095 0.000 2.241 303 Y HA -0.229 4.321 4.550 -0.000 0.000 0.286 303 Y C 2.118 178.041 175.900 0.039 0.000 1.166 303 Y CA 1.164 59.317 58.100 0.087 0.000 1.203 303 Y CB -1.240 37.289 38.460 0.115 0.000 0.977 303 Y HN 0.056 nan 8.280 nan 0.000 0.529 304 L N -0.030 120.949 121.223 -0.407 0.000 2.056 304 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 304 L C 2.389 179.185 176.870 -0.123 0.000 1.078 304 L CA 1.652 56.410 54.840 -0.137 0.000 0.749 304 L CB -0.470 41.509 42.059 -0.133 0.000 0.901 304 L HN 0.115 nan 8.230 nan 0.000 0.433 305 K N -0.071 120.272 120.400 -0.096 0.000 2.097 305 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 305 K C 2.144 178.696 176.600 -0.081 0.000 1.050 305 K CA 1.047 57.300 56.287 -0.057 0.000 0.938 305 K CB -0.176 32.315 32.500 -0.016 0.000 0.718 305 K HN 0.283 nan 8.250 nan 0.000 0.442 306 Q N -0.341 119.443 119.800 -0.027 0.000 2.084 306 Q HA -0.079 4.260 4.340 -0.000 0.000 0.202 306 Q C 2.135 178.103 176.000 -0.052 0.000 0.978 306 Q CA 1.516 57.352 55.803 0.055 0.000 0.844 306 Q CB -0.199 28.625 28.738 0.143 0.000 0.898 306 Q HN 0.368 nan 8.270 nan 0.000 0.426 307 A N 1.246 123.919 122.820 -0.245 0.000 1.873 307 A HA -0.243 4.077 4.320 -0.000 0.000 0.215 307 A C 1.836 178.956 177.584 -0.774 0.000 1.186 307 A CA 1.744 53.466 52.037 -0.525 0.000 0.616 307 A CB -0.758 17.806 19.000 -0.727 0.000 0.823 307 A HN 0.357 nan 8.150 nan 0.000 0.442 308 N N -0.358 117.806 118.700 -0.893 0.000 2.104 308 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 308 N C 1.678 177.110 175.510 -0.130 0.000 1.024 308 N CA 2.388 55.216 53.050 -0.370 0.000 0.853 308 N CB -0.456 38.032 38.487 0.002 0.000 1.008 308 N HN 0.415 nan 8.380 nan 0.000 0.424 309 T N -0.121 114.332 114.554 -0.168 0.000 2.746 309 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 309 T C 1.878 176.490 174.700 -0.147 0.000 1.039 309 T CA 1.203 63.169 62.100 -0.224 0.000 1.142 309 T CB -0.262 68.318 68.868 -0.480 0.000 0.866 309 T HN 0.291 nan 8.240 nan 0.000 0.444 310 R N 0.551 121.042 120.500 -0.015 0.000 2.083 310 R HA -0.099 4.241 4.340 -0.000 0.000 0.237 310 R C 2.309 178.699 176.300 0.150 0.000 1.137 310 R CA 1.392 57.580 56.100 0.147 0.000 0.951 310 R CB -0.483 29.866 30.300 0.081 0.000 0.851 310 R HN 0.259 nan 8.270 nan 0.000 0.434 311 V N 0.090 120.059 119.914 0.091 0.000 2.453 311 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 311 V C 2.214 178.318 176.094 0.017 0.000 1.048 311 V CA 1.938 64.321 62.300 0.139 0.000 1.049 311 V CB -0.245 31.674 31.823 0.159 0.000 0.672 311 V HN 0.339 nan 8.190 nan 0.000 0.457 312 S N -0.111 115.602 115.700 0.021 0.000 2.356 312 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 312 S C 2.175 176.807 174.600 0.053 0.000 1.032 312 S CA 1.111 59.327 58.200 0.026 0.000 1.005 312 S CB -0.315 62.939 63.200 0.090 0.000 0.867 312 S HN 0.422 nan 8.310 nan 0.000 0.449 313 R N 1.212 121.750 120.500 0.062 0.000 2.081 313 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 313 R C 2.467 178.831 176.300 0.106 0.000 1.131 313 R CA 1.362 57.521 56.100 0.098 0.000 0.960 313 R CB -0.998 29.371 30.300 0.116 0.000 0.856 313 R HN 0.436 nan 8.270 nan 0.000 0.436 314 Q N 0.922 120.783 119.800 0.102 0.000 2.030 314 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 314 Q C 2.138 178.135 176.000 -0.005 0.000 0.986 314 Q CA 1.627 57.467 55.803 0.061 0.000 0.843 314 Q CB -0.334 28.435 28.738 0.052 0.000 0.904 314 Q HN 0.330 nan 8.270 nan 0.000 0.420 315 L N -0.281 120.897 121.223 -0.075 0.000 2.005 315 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 315 L C 2.418 179.368 176.870 0.134 0.000 1.072 315 L CA 1.741 56.517 54.840 -0.106 0.000 0.744 315 L CB -0.491 41.232 42.059 -0.560 0.000 0.895 315 L HN 0.309 nan 8.230 nan 0.000 0.433 316 E N 0.224 120.553 120.200 0.215 0.000 2.072 316 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 316 E C 1.302 178.041 176.600 0.231 0.000 0.982 316 E CA 1.388 57.983 56.400 0.325 0.000 0.803 316 E CB 0.016 29.915 29.700 0.330 0.000 0.755 316 E HN 0.547 nan 8.360 nan 0.000 0.453 317 N N -1.088 117.712 118.700 0.168 0.000 2.197 317 N HA 0.222 4.962 4.740 -0.000 0.000 0.201 317 N C 0.969 176.539 175.510 0.100 0.000 1.148 317 N CA 0.119 53.254 53.050 0.141 0.000 0.883 317 N CB 0.933 39.504 38.487 0.140 0.000 1.012 317 N HN 0.044 nan 8.380 nan 0.000 0.507 318 I N -1.226 119.391 120.570 0.078 0.000 3.674 318 I HA 0.055 4.225 4.170 -0.000 0.000 0.248 318 I C 1.445 177.555 176.117 -0.011 0.000 1.134 318 I CA 0.431 61.749 61.300 0.029 0.000 1.519 318 I CB -0.219 37.801 38.000 0.034 0.000 1.598 318 I HN -0.090 nan 8.210 nan 0.000 0.442 319 T N 0.894 115.438 114.554 -0.016 0.000 2.622 319 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 319 T C 1.681 176.375 174.700 -0.011 0.000 1.047 319 T CA 1.770 63.837 62.100 -0.055 0.000 1.159 319 T CB -0.319 68.506 68.868 -0.071 0.000 0.863 319 T HN 0.280 nan 8.240 nan 0.000 0.422 320 E N 0.755 121.011 120.200 0.093 0.000 2.051 320 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 320 E C -0.538 176.195 176.600 0.221 0.000 0.991 320 E CA 1.267 57.781 56.400 0.190 0.000 0.799 320 E CB -0.890 28.990 29.700 0.299 0.000 0.748 320 E HN 0.395 nan 8.360 nan 0.000 0.449 321 P HA -0.167 nan 4.420 nan 0.000 0.215 321 P C 1.332 178.698 177.300 0.110 0.000 1.157 321 P CA 1.159 64.401 63.100 0.236 0.000 0.868 321 P CB 0.004 31.761 31.700 0.096 0.000 0.788 322 L N -0.991 120.220 121.223 -0.019 0.000 2.017 322 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 322 L C 2.525 179.355 176.870 -0.066 0.000 1.073 322 L CA 1.776 56.536 54.840 -0.133 0.000 0.745 322 L CB -1.336 40.551 42.059 -0.286 0.000 0.894 322 L HN -0.060 nan 8.230 nan 0.000 0.432 323 A N -0.033 122.757 122.820 -0.049 0.000 1.933 323 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 323 A C 2.535 180.255 177.584 0.227 0.000 1.175 323 A CA 1.769 53.780 52.037 -0.043 0.000 0.628 323 A CB -0.738 18.061 19.000 -0.336 0.000 0.814 323 A HN 0.420 nan 8.150 nan 0.000 0.444 324 A N -0.439 122.577 122.820 0.326 0.000 1.883 324 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 324 A C 2.272 179.946 177.584 0.151 0.000 1.186 324 A CA 1.927 54.120 52.037 0.260 0.000 0.624 324 A CB -0.534 18.552 19.000 0.143 0.000 0.822 324 A HN 0.546 nan 8.150 nan 0.000 0.444 325 M N -0.788 118.848 119.600 0.061 0.000 2.200 325 M HA -0.055 4.424 4.480 -0.000 0.000 0.265 325 M C 2.472 178.876 176.300 0.174 0.000 1.066 325 M CA 1.176 56.452 55.300 -0.040 0.000 1.127 325 M CB -0.366 32.176 32.600 -0.096 0.000 1.379 325 M HN 0.460 nan 8.290 nan 0.000 0.420 326 A N -0.439 122.451 122.820 0.118 0.000 2.019 326 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 326 A C 1.967 179.642 177.584 0.152 0.000 1.164 326 A CA 1.139 53.225 52.037 0.082 0.000 0.644 326 A CB -1.121 17.871 19.000 -0.013 0.000 0.805 326 A HN 0.614 nan 8.150 nan 0.000 0.449 327 Y N 0.655 121.025 120.300 0.118 0.000 2.241 327 Y HA -0.285 4.265 4.550 -0.000 0.000 0.286 327 Y C 2.243 178.225 175.900 0.138 0.000 1.166 327 Y CA 2.219 60.401 58.100 0.137 0.000 1.203 327 Y CB -0.138 38.423 38.460 0.168 0.000 0.977 327 Y HN 0.541 nan 8.280 nan 0.000 0.529 328 E N -0.625 119.790 120.200 0.357 0.000 2.130 328 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 328 E C 1.957 178.609 176.600 0.086 0.000 0.998 328 E CA 1.838 58.399 56.400 0.269 0.000 0.806 328 E CB -0.148 29.770 29.700 0.364 0.000 0.738 328 E HN 0.433 nan 8.360 nan 0.000 0.459 329 V N 0.084 120.026 119.914 0.047 0.000 2.379 329 V HA -0.146 3.973 4.120 -0.000 0.000 0.243 329 V C 2.477 178.527 176.094 -0.074 0.000 1.035 329 V CA 2.006 64.297 62.300 -0.016 0.000 1.035 329 V CB -0.132 31.675 31.823 -0.026 0.000 0.673 329 V HN 0.526 nan 8.190 nan 0.000 0.457 330 T N -4.869 109.617 114.554 -0.112 0.000 3.014 330 T HA 0.069 4.419 4.350 -0.000 0.000 0.250 330 T C 1.031 175.585 174.700 -0.243 0.000 1.060 330 T CA 0.734 62.750 62.100 -0.139 0.000 1.040 330 T CB 0.400 69.210 68.868 -0.097 0.000 0.971 330 T HN 0.284 nan 8.240 nan 0.000 0.497 331 S N 0.447 115.845 115.700 -0.503 0.000 3.521 331 S HA -0.135 4.335 4.470 -0.000 0.000 0.328 331 S C 0.156 174.400 174.600 -0.593 0.000 1.165 331 S CA 1.100 58.777 58.200 -0.872 0.000 0.941 331 S CB -2.061 60.904 63.200 -0.392 0.000 0.951 331 S HN 0.981 nan 8.310 nan 0.000 0.539 332 T N -0.560 113.804 114.554 -0.317 0.000 2.883 332 T HA 0.668 5.018 4.350 -0.000 0.000 0.301 332 T C -1.941 172.948 174.700 0.315 0.000 1.158 332 T CA -0.480 61.675 62.100 0.091 0.000 1.007 332 T CB 1.670 70.565 68.868 0.044 0.000 1.186 332 T HN 0.308 nan 8.240 nan 0.000 0.499 333 Y N 3.509 123.904 120.300 0.158 0.000 2.479 333 Y HA 0.560 5.110 4.550 -0.000 0.000 0.338 333 Y C -2.431 173.397 175.900 -0.120 0.000 1.055 333 Y CA -2.082 56.021 58.100 0.005 0.000 1.023 333 Y CB 2.312 40.732 38.460 -0.066 0.000 1.287 333 Y HN 0.398 nan 8.280 nan 0.000 0.447 334 P HA 0.157 nan 4.420 nan 0.000 0.225 334 P C 0.120 177.341 177.300 -0.133 0.000 1.813 334 P CA 0.368 63.340 63.100 -0.213 0.000 1.013 334 P CB -0.050 31.520 31.700 -0.217 0.000 1.961 335 H N 0.594 119.760 119.070 0.161 0.000 2.353 335 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 335 H C 1.008 176.417 175.328 0.135 0.000 1.090 335 H CA 1.641 57.817 56.048 0.213 0.000 1.327 335 H CB -0.166 29.725 29.762 0.215 0.000 1.383 335 H HN 0.294 nan 8.280 nan 0.000 0.508 336 D N 0.700 121.231 120.400 0.218 0.000 2.097 336 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 336 D C 2.328 178.712 176.300 0.140 0.000 0.984 336 D CA 0.909 54.996 54.000 0.146 0.000 0.826 336 D CB -0.158 40.696 40.800 0.090 0.000 0.973 336 D HN 0.360 nan 8.370 nan 0.000 0.460 337 Q N 0.055 119.914 119.800 0.099 0.000 2.119 337 Q HA 0.010 4.350 4.340 -0.000 0.000 0.201 337 Q C 2.382 178.481 176.000 0.165 0.000 0.972 337 Q CA 0.568 56.432 55.803 0.102 0.000 0.847 337 Q CB -0.157 28.610 28.738 0.048 0.000 0.903 337 Q HN 0.275 nan 8.270 nan 0.000 0.433 338 L N 0.033 121.341 121.223 0.141 0.000 2.056 338 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 338 L C 2.594 179.662 176.870 0.331 0.000 1.078 338 L CA 1.158 56.126 54.840 0.213 0.000 0.749 338 L CB -0.306 41.886 42.059 0.223 0.000 0.901 338 L HN 0.194 nan 8.230 nan 0.000 0.433 339 R N -0.674 119.993 120.500 0.278 0.000 2.081 339 R HA -0.262 4.078 4.340 -0.000 0.000 0.235 339 R C 2.470 178.893 176.300 0.205 0.000 1.131 339 R CA 1.943 58.180 56.100 0.229 0.000 0.960 339 R CB -0.520 29.871 30.300 0.152 0.000 0.856 339 R HN 0.291 nan 8.270 nan 0.000 0.436 340 Y N 0.710 121.059 120.300 0.081 0.000 2.128 340 Y HA -0.216 4.334 4.550 -0.000 0.000 0.284 340 Y C 2.139 178.064 175.900 0.042 0.000 1.154 340 Y CA 1.839 59.968 58.100 0.048 0.000 1.149 340 Y CB -0.471 38.007 38.460 0.030 0.000 0.976 340 Y HN 0.210 nan 8.280 nan 0.000 0.505 341 A N -0.592 122.275 122.820 0.078 0.000 1.902 341 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 341 A C 2.066 179.568 177.584 -0.136 0.000 1.181 341 A CA 1.654 53.642 52.037 -0.081 0.000 0.623 341 A CB -1.527 17.429 19.000 -0.075 0.000 0.818 341 A HN 0.758 nan 8.150 nan 0.000 0.443 342 W N 0.032 121.306 121.300 -0.043 0.000 2.381 342 W HA -0.052 4.608 4.660 -0.000 0.000 0.301 342 W C 2.424 178.874 176.519 -0.115 0.000 1.205 342 W CA 1.469 58.784 57.345 -0.051 0.000 1.285 342 W CB 0.036 29.482 29.460 -0.023 0.000 1.133 342 W HN 0.206 nan 8.180 nan 0.000 0.521 343 K N -0.604 119.834 120.400 0.063 0.000 2.057 343 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 343 K C 1.838 178.431 176.600 -0.012 0.000 1.049 343 K CA 1.886 58.141 56.287 -0.054 0.000 0.931 343 K CB -0.630 31.784 32.500 -0.144 0.000 0.714 343 K HN 0.054 nan 8.250 nan 0.000 0.440 344 T N 2.131 116.581 114.554 -0.172 0.000 2.684 344 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 344 T C 1.739 176.327 174.700 -0.187 0.000 1.036 344 T CA 1.240 63.202 62.100 -0.231 0.000 1.148 344 T CB -0.258 68.391 68.868 -0.365 0.000 0.863 344 T HN 0.104 nan 8.240 nan 0.000 0.436 345 L N 0.870 121.991 121.223 -0.172 0.000 2.046 345 L HA 0.061 4.401 4.340 -0.000 0.000 0.208 345 L C 2.224 178.856 176.870 -0.397 0.000 1.077 345 L CA 1.793 56.505 54.840 -0.213 0.000 0.747 345 L CB -0.637 41.304 42.059 -0.196 0.000 0.896 345 L HN 0.255 nan 8.230 nan 0.000 0.432 346 M N -1.401 118.053 119.600 -0.243 0.000 2.557 346 M HA -0.150 4.330 4.480 -0.000 0.000 0.259 346 M C 1.974 178.230 176.300 -0.074 0.000 1.086 346 M CA 0.931 56.098 55.300 -0.222 0.000 1.096 346 M CB -0.239 32.504 32.600 0.239 0.000 1.424 346 M HN 0.396 nan 8.290 nan 0.000 0.488 347 Q N 0.217 119.964 119.800 -0.088 0.000 2.364 347 Q HA -0.099 4.240 4.340 -0.000 0.000 0.207 347 Q C 1.042 176.921 176.000 -0.202 0.000 0.970 347 Q CA 0.764 56.472 55.803 -0.157 0.000 0.888 347 Q CB -0.005 28.618 28.738 -0.190 0.000 0.951 347 Q HN 0.455 nan 8.270 nan 0.000 0.469 348 N N -0.972 117.583 118.700 -0.242 0.000 2.336 348 N HA 0.008 4.748 4.740 -0.000 0.000 0.189 348 N C 0.355 175.931 175.510 0.111 0.000 1.113 348 N CA 0.492 53.426 53.050 -0.194 0.000 0.858 348 N CB 0.278 38.459 38.487 -0.510 0.000 0.970 348 N HN 0.429 nan 8.380 nan 0.000 0.471 349 H N -0.878 118.197 119.070 0.008 0.000 2.563 349 H HA 0.157 4.713 4.556 -0.000 0.000 0.264 349 H C -1.691 173.648 175.328 0.019 0.000 0.957 349 H CA -1.067 55.014 56.048 0.054 0.000 1.173 349 H CB -0.168 29.657 29.762 0.105 0.000 1.420 349 H HN 0.111 nan 8.280 nan 0.000 0.551 350 P HA -0.136 nan 4.420 nan 0.000 0.265 350 P C 0.745 178.001 177.300 -0.073 0.000 1.187 350 P CA 0.554 63.641 63.100 -0.023 0.000 0.766 350 P CB 0.458 32.081 31.700 -0.128 0.000 0.820 351 H N 2.528 121.543 119.070 -0.091 0.000 2.321 351 H HA -0.217 4.339 4.556 -0.000 0.000 0.295 351 H C 0.638 175.889 175.328 -0.128 0.000 1.102 351 H CA 1.965 57.897 56.048 -0.194 0.000 1.266 351 H CB -1.136 28.363 29.762 -0.438 0.000 1.363 351 H HN 0.392 nan 8.280 nan 0.000 0.492 352 D N 0.649 120.785 120.400 -0.440 0.000 2.264 352 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 352 D C 2.077 178.407 176.300 0.051 0.000 0.966 352 D CA 0.914 54.819 54.000 -0.157 0.000 0.864 352 D CB 0.076 40.678 40.800 -0.331 0.000 0.933 352 D HN 0.424 nan 8.370 nan 0.000 0.499 353 S N 0.710 116.414 115.700 0.007 0.000 2.317 353 S HA -0.062 4.408 4.470 -0.000 0.000 0.212 353 S C 1.949 176.671 174.600 0.204 0.000 1.030 353 S CA -0.034 58.229 58.200 0.104 0.000 0.970 353 S CB -0.143 63.060 63.200 0.005 0.000 0.928 353 S HN 0.114 nan 8.310 nan 0.000 0.451 354 I N 1.809 122.471 120.570 0.153 0.000 2.335 354 I HA -0.151 4.019 4.170 -0.000 0.000 0.251 354 I C 1.874 178.065 176.117 0.124 0.000 1.129 354 I CA 0.941 62.346 61.300 0.176 0.000 1.402 354 I CB -0.477 37.624 38.000 0.168 0.000 1.069 354 I HN 0.305 nan 8.210 nan 0.000 0.424 355 C N 1.520 120.892 119.300 0.121 0.000 2.449 355 C HA 0.197 4.656 4.460 -0.000 0.000 0.283 355 C C 1.917 176.941 174.990 0.056 0.000 1.453 355 C CA 0.638 59.736 59.018 0.133 0.000 1.779 355 C CB -2.137 25.736 27.740 0.222 0.000 1.779 355 C HN 0.832 nan 8.230 nan 0.000 0.546 356 G N 0.286 109.097 108.800 0.020 0.000 2.225 356 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.267 356 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.267 356 G C 0.257 175.092 174.900 -0.108 0.000 1.024 356 G CA 0.520 45.444 45.100 -0.293 0.000 0.784 356 G HN 1.022 nan 8.290 nan 0.000 0.507 357 C N -0.671 118.698 119.300 0.116 0.000 2.469 357 C HA 0.830 5.290 4.460 -0.000 0.000 0.298 357 C C 0.939 176.141 174.990 0.354 0.000 1.436 357 C CA -0.372 58.650 59.018 0.007 0.000 1.783 357 C CB -1.029 26.379 27.740 -0.554 0.000 2.726 357 C HN 0.423 nan 8.230 nan 0.000 0.541 358 S N 0.209 116.252 115.700 0.572 0.000 2.801 358 S HA 0.787 5.257 4.470 -0.000 0.000 0.312 358 S C 0.264 175.016 174.600 0.254 0.000 1.112 358 S CA -0.216 58.220 58.200 0.394 0.000 0.943 358 S CB 1.261 64.536 63.200 0.126 0.000 1.269 358 S HN 0.812 nan 8.310 nan 0.000 0.558 359 V N 0.121 120.085 119.914 0.083 0.000 3.264 359 V HA 0.354 4.474 4.120 -0.000 0.000 0.304 359 V C 0.689 176.854 176.094 0.118 0.000 1.086 359 V CA -0.230 62.124 62.300 0.090 0.000 1.090 359 V CB 0.096 31.940 31.823 0.035 0.000 1.112 359 V HN 0.724 nan 8.190 nan 0.000 0.472 360 D N 1.247 121.733 120.400 0.143 0.000 2.104 360 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 360 D C 2.416 178.789 176.300 0.121 0.000 0.994 360 D CA 2.190 56.293 54.000 0.172 0.000 0.830 360 D CB -0.412 40.469 40.800 0.134 0.000 0.959 360 D HN 0.928 nan 8.370 nan 0.000 0.452 361 S N 0.166 115.906 115.700 0.067 0.000 2.387 361 S HA -0.166 4.304 4.470 -0.000 0.000 0.230 361 S C 2.274 176.887 174.600 0.022 0.000 1.035 361 S CA 1.225 59.454 58.200 0.049 0.000 1.014 361 S CB -0.838 62.384 63.200 0.037 0.000 0.836 361 S HN 0.122 nan 8.310 nan 0.000 0.466 362 V N 2.480 122.362 119.914 -0.054 0.000 2.295 362 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 362 V C 2.726 178.711 176.094 -0.181 0.000 1.049 362 V CA 2.064 64.268 62.300 -0.160 0.000 1.024 362 V CB -0.926 30.713 31.823 -0.307 0.000 0.648 362 V HN 0.631 nan 8.190 nan 0.000 0.447 363 H N -0.052 119.088 119.070 0.118 0.000 2.462 363 H HA 0.024 4.580 4.556 -0.000 0.000 0.292 363 H C 2.499 177.934 175.328 0.178 0.000 1.049 363 H CA 1.040 57.179 56.048 0.151 0.000 1.334 363 H CB -0.109 29.766 29.762 0.188 0.000 1.404 363 H HN 0.410 nan 8.280 nan 0.000 0.544 364 R N 0.763 121.394 120.500 0.219 0.000 2.081 364 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 364 R C 2.293 178.658 176.300 0.108 0.000 1.131 364 R CA 1.297 57.492 56.100 0.159 0.000 0.960 364 R CB -0.100 30.266 30.300 0.110 0.000 0.856 364 R HN 0.426 nan 8.270 nan 0.000 0.436 365 E N 0.833 121.072 120.200 0.065 0.000 2.077 365 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 365 E C 2.016 178.602 176.600 -0.023 0.000 0.989 365 E CA 1.218 57.630 56.400 0.021 0.000 0.800 365 E CB 0.029 29.734 29.700 0.009 0.000 0.746 365 E HN 0.239 nan 8.360 nan 0.000 0.452 366 M N -0.283 119.299 119.600 -0.030 0.000 2.108 366 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 366 M C 2.285 178.513 176.300 -0.119 0.000 1.066 366 M CA 1.214 56.422 55.300 -0.154 0.000 1.107 366 M CB -0.194 32.369 32.600 -0.062 0.000 1.356 366 M HN 0.258 nan 8.290 nan 0.000 0.406 367 M N -0.434 119.261 119.600 0.158 0.000 2.108 367 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 367 M C 2.184 178.595 176.300 0.185 0.000 1.066 367 M CA 1.814 57.296 55.300 0.303 0.000 1.107 367 M CB -1.704 31.066 32.600 0.282 0.000 1.356 367 M HN 0.264 nan 8.290 nan 0.000 0.406 368 T N 0.383 114.990 114.554 0.088 0.000 2.708 368 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 368 T C 1.968 176.683 174.700 0.025 0.000 1.037 368 T CA 1.211 63.346 62.100 0.058 0.000 1.146 368 T CB -0.162 68.727 68.868 0.035 0.000 0.865 368 T HN 0.386 nan 8.240 nan 0.000 0.435 369 R N 0.071 120.529 120.500 -0.070 0.000 2.091 369 R HA -0.062 4.277 4.340 -0.000 0.000 0.238 369 R C 2.232 178.484 176.300 -0.079 0.000 1.136 369 R CA 1.336 57.348 56.100 -0.145 0.000 0.959 369 R CB -0.601 29.526 30.300 -0.288 0.000 0.856 369 R HN 0.342 nan 8.270 nan 0.000 0.437 370 F N 1.584 121.549 119.950 0.026 0.000 2.095 370 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 370 F C 2.359 178.201 175.800 0.070 0.000 1.104 370 F CA 1.236 59.262 58.000 0.042 0.000 1.232 370 F CB -0.598 38.437 39.000 0.059 0.000 0.987 370 F HN 0.058 nan 8.300 nan 0.000 0.475 371 E N 0.132 120.489 120.200 0.261 0.000 2.077 371 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 371 E C 2.141 178.857 176.600 0.194 0.000 0.989 371 E CA 1.413 57.932 56.400 0.198 0.000 0.800 371 E CB -0.198 29.584 29.700 0.137 0.000 0.746 371 E HN 0.421 nan 8.360 nan 0.000 0.452 372 K N 0.571 121.048 120.400 0.128 0.000 2.002 372 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 372 K C 2.216 178.871 176.600 0.091 0.000 1.048 372 K CA 1.252 57.598 56.287 0.098 0.000 0.930 372 K CB -0.188 32.337 32.500 0.042 0.000 0.714 372 K HN 0.042 nan 8.250 nan 0.000 0.438 373 A N 0.692 123.545 122.820 0.056 0.000 1.902 373 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 373 A C 2.086 179.703 177.584 0.054 0.000 1.181 373 A CA 1.313 53.354 52.037 0.007 0.000 0.623 373 A CB -0.792 18.184 19.000 -0.041 0.000 0.818 373 A HN 0.421 nan 8.150 nan 0.000 0.443 374 Y N 0.824 121.146 120.300 0.037 0.000 2.128 374 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 374 Y C 2.334 178.284 175.900 0.083 0.000 1.154 374 Y CA 2.282 60.406 58.100 0.041 0.000 1.149 374 Y CB -0.043 38.442 38.460 0.042 0.000 0.976 374 Y HN 0.312 nan 8.280 nan 0.000 0.505 375 E N -0.418 119.875 120.200 0.156 0.000 2.150 375 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 375 E C 2.446 179.094 176.600 0.081 0.000 0.985 375 E CA 1.203 57.681 56.400 0.129 0.000 0.814 375 E CB -0.545 29.269 29.700 0.189 0.000 0.752 375 E HN 0.432 nan 8.360 nan 0.000 0.466 376 V N 0.850 120.806 119.914 0.071 0.000 2.261 376 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 376 V C 2.430 178.544 176.094 0.033 0.000 1.047 376 V CA 2.046 64.397 62.300 0.085 0.000 1.015 376 V CB -1.144 30.762 31.823 0.138 0.000 0.642 376 V HN 0.323 nan 8.190 nan 0.000 0.446 377 G N -1.043 107.713 108.800 -0.074 0.000 2.440 377 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.218 377 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.218 377 G C 1.481 176.284 174.900 -0.161 0.000 1.154 377 G CA 1.390 46.405 45.100 -0.141 0.000 0.767 377 G HN 0.633 nan 8.290 nan 0.000 0.552 378 H N -0.815 118.029 119.070 -0.377 0.000 2.353 378 H HA -0.126 4.430 4.556 -0.000 0.000 0.300 378 H C 2.102 177.336 175.328 -0.156 0.000 1.090 378 H CA 1.673 57.509 56.048 -0.353 0.000 1.327 378 H CB -0.486 28.978 29.762 -0.498 0.000 1.383 378 H HN 0.387 nan 8.280 nan 0.000 0.508 379 Y N 0.552 120.729 120.300 -0.205 0.000 2.128 379 Y HA -0.222 4.327 4.550 -0.000 0.000 0.284 379 Y C 2.215 177.990 175.900 -0.209 0.000 1.154 379 Y CA 1.993 59.970 58.100 -0.205 0.000 1.149 379 Y CB -0.530 37.868 38.460 -0.104 0.000 0.976 379 Y HN 0.221 nan 8.280 nan 0.000 0.505 380 L N -0.265 120.849 121.223 -0.182 0.000 2.083 380 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 380 L C 2.794 179.471 176.870 -0.322 0.000 1.083 380 L CA 1.063 55.748 54.840 -0.257 0.000 0.752 380 L CB -0.973 41.019 42.059 -0.111 0.000 0.899 380 L HN 0.368 nan 8.230 nan 0.000 0.433 381 A N 0.166 122.816 122.820 -0.285 0.000 1.898 381 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 381 A C 2.342 179.725 177.584 -0.336 0.000 1.181 381 A CA 1.528 53.402 52.037 -0.272 0.000 0.620 381 A CB -0.289 18.595 19.000 -0.194 0.000 0.819 381 A HN 0.295 nan 8.150 nan 0.000 0.442 382 K N -0.470 119.680 120.400 -0.416 0.000 2.057 382 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 382 K C 1.962 178.334 176.600 -0.380 0.000 1.050 382 K CA 1.271 57.321 56.287 -0.396 0.000 0.935 382 K CB -0.122 32.097 32.500 -0.467 0.000 0.715 382 K HN 0.388 nan 8.250 nan 0.000 0.439 383 E N 0.700 120.603 120.200 -0.494 0.000 2.077 383 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 383 E C 2.059 178.479 176.600 -0.300 0.000 0.989 383 E CA 1.264 57.402 56.400 -0.436 0.000 0.800 383 E CB -0.214 29.138 29.700 -0.580 0.000 0.746 383 E HN 0.304 nan 8.360 nan 0.000 0.452 384 A N 1.522 124.164 122.820 -0.297 0.000 1.902 384 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 384 A C 2.444 179.868 177.584 -0.268 0.000 1.181 384 A CA 2.077 53.967 52.037 -0.244 0.000 0.623 384 A CB -0.618 18.241 19.000 -0.236 0.000 0.818 384 A HN 0.268 nan 8.150 nan 0.000 0.443 385 A N -0.392 122.222 122.820 -0.343 0.000 1.908 385 A HA -0.165 4.154 4.320 -0.000 0.000 0.218 385 A C 2.128 179.631 177.584 -0.135 0.000 1.181 385 A CA 1.843 53.648 52.037 -0.387 0.000 0.627 385 A CB -0.374 18.392 19.000 -0.390 0.000 0.818 385 A HN 0.352 nan 8.150 nan 0.000 0.445 386 K N -0.321 119.993 120.400 -0.143 0.000 2.057 386 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 386 K C 2.198 178.739 176.600 -0.099 0.000 1.049 386 K CA 1.708 57.936 56.287 -0.098 0.000 0.931 386 K CB -0.443 31.980 32.500 -0.128 0.000 0.714 386 K HN 0.695 nan 8.250 nan 0.000 0.440 387 Q N 0.313 120.037 119.800 -0.127 0.000 2.096 387 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 387 Q C 2.231 178.167 176.000 -0.107 0.000 0.982 387 Q CA 1.447 57.181 55.803 -0.114 0.000 0.850 387 Q CB -0.186 28.484 28.738 -0.112 0.000 0.901 387 Q HN 0.284 nan 8.270 nan 0.000 0.422 388 I N 0.262 120.761 120.570 -0.118 0.000 2.163 388 I HA -0.271 3.898 4.170 -0.000 0.000 0.240 388 I C 2.409 178.424 176.117 -0.170 0.000 1.081 388 I CA 1.013 62.211 61.300 -0.171 0.000 1.353 388 I CB -0.443 37.422 38.000 -0.224 0.000 1.054 388 I HN 0.172 nan 8.210 nan 0.000 0.407 389 A N 0.411 123.186 122.820 -0.075 0.000 1.902 389 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 389 A C 1.887 179.495 177.584 0.039 0.000 1.181 389 A CA 2.078 54.091 52.037 -0.039 0.000 0.623 389 A CB -0.615 18.401 19.000 0.027 0.000 0.818 389 A HN 0.359 nan 8.150 nan 0.000 0.443 390 D N -0.259 120.122 120.400 -0.031 0.000 2.310 390 D HA 0.065 4.705 4.640 -0.000 0.000 0.212 390 D C 1.703 177.827 176.300 -0.294 0.000 0.965 390 D CA 1.186 55.084 54.000 -0.169 0.000 0.879 390 D CB -0.105 40.583 40.800 -0.186 0.000 0.921 390 D HN 0.464 nan 8.370 nan 0.000 0.510 391 A N -0.081 122.669 122.820 -0.118 0.000 2.308 391 A HA 0.188 4.508 4.320 -0.000 0.000 0.217 391 A C 1.026 178.623 177.584 0.023 0.000 1.216 391 A CA -0.294 51.697 52.037 -0.077 0.000 0.864 391 A CB 0.052 19.012 19.000 -0.067 0.000 0.902 391 A HN 0.080 nan 8.150 nan 0.000 0.499 392 I N 1.072 121.693 120.570 0.085 0.000 2.588 392 I HA 0.025 4.195 4.170 -0.000 0.000 0.283 392 I C -0.086 176.157 176.117 0.211 0.000 1.119 392 I CA -0.358 61.016 61.300 0.124 0.000 1.419 392 I CB 0.731 38.764 38.000 0.056 0.000 1.394 392 I HN 0.072 nan 8.210 nan 0.000 0.562 393 D N 5.112 125.601 120.400 0.149 0.000 2.367 393 D HA -0.006 4.634 4.640 -0.000 0.000 0.255 393 D C 0.827 177.178 176.300 0.084 0.000 1.300 393 D CA -0.027 54.045 54.000 0.120 0.000 0.959 393 D CB 0.493 41.341 40.800 0.079 0.000 1.064 393 D HN 0.591 nan 8.370 nan 0.000 0.509 394 T N 0.644 115.208 114.554 0.017 0.000 3.223 394 T HA 0.198 4.548 4.350 -0.000 0.000 0.259 394 T C 1.458 176.205 174.700 0.078 0.000 1.015 394 T CA -0.432 61.706 62.100 0.062 0.000 0.908 394 T CB 0.014 68.791 68.868 -0.152 0.000 1.054 394 T HN 0.236 nan 8.240 nan 0.000 0.567 395 R N 1.155 121.663 120.500 0.014 0.000 2.235 395 R HA 0.011 4.351 4.340 -0.000 0.000 0.213 395 R C 1.256 177.531 176.300 -0.041 0.000 1.059 395 R CA 0.944 57.043 56.100 -0.001 0.000 0.997 395 R CB -0.117 30.183 30.300 -0.000 0.000 0.884 395 R HN 0.357 nan 8.270 nan 0.000 0.462 396 D N -0.016 120.299 120.400 -0.142 0.000 2.310 396 D HA -0.079 4.561 4.640 -0.000 0.000 0.212 396 D C -0.123 175.960 176.300 -0.363 0.000 0.965 396 D CA 0.916 54.743 54.000 -0.289 0.000 0.879 396 D CB 0.045 40.588 40.800 -0.429 0.000 0.921 396 D HN 0.023 nan 8.370 nan 0.000 0.510 397 F N 0.927 120.860 119.950 -0.027 0.000 2.396 397 F HA 0.294 4.821 4.527 -0.000 0.000 0.343 397 F C -1.675 174.124 175.800 -0.001 0.000 1.104 397 F CA -2.596 55.397 58.000 -0.012 0.000 1.161 397 F CB 0.438 39.426 39.000 -0.021 0.000 1.146 397 F HN -0.292 nan 8.300 nan 0.000 0.522 398 P HA 0.021 nan 4.420 nan 0.000 0.268 398 P C 0.756 178.127 177.300 0.118 0.000 1.208 398 P CA -0.179 62.995 63.100 0.124 0.000 0.777 398 P CB 0.549 32.326 31.700 0.128 0.000 0.875 399 M N 1.373 121.018 119.600 0.074 0.000 2.374 399 M HA -0.093 4.387 4.480 -0.000 0.000 0.264 399 M C 0.658 176.983 176.300 0.042 0.000 1.067 399 M CA 1.501 56.828 55.300 0.044 0.000 1.103 399 M CB -1.188 31.425 32.600 0.023 0.000 1.402 399 M HN 0.397 nan 8.290 nan 0.000 0.444 400 D N -0.423 120.029 120.400 0.087 0.000 2.370 400 D HA 0.055 4.695 4.640 -0.000 0.000 0.230 400 D C 0.288 176.737 176.300 0.248 0.000 1.143 400 D CA -0.086 53.991 54.000 0.128 0.000 0.834 400 D CB -0.335 40.560 40.800 0.157 0.000 0.944 400 D HN 0.186 nan 8.370 nan 0.000 0.504 401 S N -1.081 114.739 115.700 0.200 0.000 2.638 401 S HA 0.524 4.994 4.470 -0.000 0.000 0.302 401 S C -0.449 174.253 174.600 0.169 0.000 1.096 401 S CA -0.960 57.416 58.200 0.293 0.000 0.953 401 S CB 2.279 65.637 63.200 0.263 0.000 1.107 401 S HN -0.053 nan 8.310 nan 0.000 0.503 402 Q N 1.370 121.317 119.800 0.246 0.000 2.413 402 Q HA 0.438 4.778 4.340 -0.000 0.000 0.258 402 Q C -2.759 173.280 176.000 0.065 0.000 1.037 402 Q CA -1.970 53.903 55.803 0.117 0.000 0.764 402 Q CB 1.446 30.296 28.738 0.187 0.000 1.217 402 Q HN 0.477 nan 8.270 nan 0.000 0.490 403 P HA 0.135 nan 4.420 nan 0.000 0.269 403 P C -0.840 176.434 177.300 -0.043 0.000 1.209 403 P CA 0.127 63.018 63.100 -0.349 0.000 0.776 403 P CB 0.297 31.733 31.700 -0.441 0.000 0.876 404 F N -0.386 119.397 119.950 -0.278 0.000 2.619 404 F HA 0.688 5.215 4.527 -0.000 0.000 0.308 404 F C -1.680 174.031 175.800 -0.150 0.000 1.097 404 F CA -1.425 56.483 58.000 -0.154 0.000 0.953 404 F CB 0.949 39.894 39.000 -0.091 0.000 1.287 404 F HN -0.057 nan 8.300 nan 0.000 0.446 405 V N 3.636 123.516 119.914 -0.057 0.000 2.459 405 V HA 0.554 4.674 4.120 -0.000 0.000 0.295 405 V C -0.496 175.499 176.094 -0.165 0.000 1.029 405 V CA -0.662 61.492 62.300 -0.243 0.000 0.874 405 V CB 1.514 33.115 31.823 -0.370 0.000 0.985 405 V HN 0.692 nan 8.190 nan 0.000 0.438 406 L N 5.251 126.343 121.223 -0.218 0.000 2.322 406 L HA 0.633 4.973 4.340 -0.000 0.000 0.281 406 L C -0.772 176.013 176.870 -0.142 0.000 1.014 406 L CA 0.098 54.917 54.840 -0.034 0.000 0.815 406 L CB 1.259 43.356 42.059 0.063 0.000 1.247 406 L HN 0.423 nan 8.230 nan 0.000 0.421 407 F N 1.196 121.234 119.950 0.146 0.000 2.495 407 F HA 0.421 4.948 4.527 -0.000 0.000 0.327 407 F C 0.268 176.133 175.800 0.107 0.000 1.103 407 F CA -0.712 57.384 58.000 0.161 0.000 0.949 407 F CB 1.636 40.717 39.000 0.135 0.000 1.142 407 F HN 0.410 nan 8.300 nan 0.000 0.457 408 N N 0.878 119.734 118.700 0.259 0.000 2.501 408 N HA 0.167 4.906 4.740 -0.000 0.000 0.245 408 N C 0.295 175.870 175.510 0.109 0.000 0.974 408 N CA -0.407 52.733 53.050 0.150 0.000 0.941 408 N CB 1.017 39.548 38.487 0.074 0.000 1.122 408 N HN 0.654 nan 8.380 nan 0.000 0.507 409 T N -0.823 113.787 114.554 0.094 0.000 3.144 409 T HA 0.241 4.591 4.350 -0.000 0.000 0.249 409 T C 0.425 175.114 174.700 -0.018 0.000 1.089 409 T CA -0.236 61.876 62.100 0.020 0.000 0.989 409 T CB -0.174 68.714 68.868 0.033 0.000 0.992 409 T HN 0.215 nan 8.240 nan 0.000 0.540 410 S N 0.443 116.142 115.700 -0.001 0.000 2.713 410 S HA 0.596 5.066 4.470 -0.000 0.000 0.283 410 S C 1.582 176.124 174.600 -0.096 0.000 1.161 410 S CA -0.433 57.769 58.200 0.004 0.000 0.999 410 S CB 1.175 64.419 63.200 0.075 0.000 1.039 410 S HN 0.440 nan 8.310 nan 0.000 0.548 411 G N -0.643 108.105 108.800 -0.087 0.000 2.813 411 G HA2 0.145 4.105 3.960 -0.000 0.000 0.209 411 G HA3 0.145 4.105 3.960 -0.000 0.000 0.209 411 G C -0.003 174.527 174.900 -0.616 0.000 1.150 411 G CA 0.494 45.428 45.100 -0.276 0.000 0.785 411 G HN 0.635 nan 8.290 nan 0.000 0.535 412 H N -1.476 117.308 119.070 -0.477 0.000 2.908 412 H HA 0.588 5.144 4.556 -0.000 0.000 0.350 412 H C -0.200 174.836 175.328 -0.486 0.000 1.217 412 H CA -0.777 54.816 56.048 -0.759 0.000 1.168 412 H CB 1.026 29.664 29.762 -1.872 0.000 1.891 412 H HN -0.002 nan 8.280 nan 0.000 0.566 413 S N 0.563 116.104 115.700 -0.264 0.000 2.552 413 S HA 0.034 4.504 4.470 -0.000 0.000 0.289 413 S C -0.061 174.584 174.600 0.075 0.000 1.304 413 S CA -0.153 58.011 58.200 -0.060 0.000 1.063 413 S CB -0.111 63.098 63.200 0.015 0.000 0.848 413 S HN 0.521 nan 8.310 nan 0.000 0.499 414 K N 3.530 123.980 120.400 0.083 0.000 2.425 414 K HA 0.344 4.663 4.320 -0.000 0.000 0.259 414 K C -1.148 175.520 176.600 0.113 0.000 0.978 414 K CA -0.401 55.967 56.287 0.135 0.000 0.883 414 K CB 0.915 33.481 32.500 0.111 0.000 1.110 414 K HN 0.551 nan 8.250 nan 0.000 0.436 415 T N 2.595 117.223 114.554 0.124 0.000 2.758 415 T HA 0.394 4.744 4.350 -0.000 0.000 0.285 415 T C -1.050 173.696 174.700 0.077 0.000 0.981 415 T CA -0.538 61.618 62.100 0.093 0.000 0.965 415 T CB 1.106 70.029 68.868 0.092 0.000 0.927 415 T HN 0.725 nan 8.240 nan 0.000 0.448 416 S N 1.380 117.123 115.700 0.071 0.000 2.588 416 S HA 0.607 5.077 4.470 -0.000 0.000 0.269 416 S C -1.077 173.558 174.600 0.058 0.000 1.157 416 S CA -0.911 57.325 58.200 0.060 0.000 0.824 416 S CB 1.127 64.366 63.200 0.064 0.000 1.126 416 S HN 0.330 nan 8.310 nan 0.000 0.464 417 V N 1.920 121.862 119.914 0.047 0.000 2.304 417 V HA 0.651 4.771 4.120 -0.000 0.000 0.262 417 V C 0.775 176.894 176.094 0.043 0.000 1.061 417 V CA -0.209 62.117 62.300 0.045 0.000 0.872 417 V CB 0.049 31.893 31.823 0.034 0.000 1.077 417 V HN 1.124 nan 8.190 nan 0.000 0.480 418 A N 5.013 127.867 122.820 0.056 0.000 2.450 418 A HA 0.460 4.780 4.320 -0.000 0.000 0.255 418 A C 0.343 177.949 177.584 0.036 0.000 1.096 418 A CA -0.318 51.753 52.037 0.056 0.000 0.778 418 A CB 0.175 19.225 19.000 0.083 0.000 1.031 418 A HN 0.707 nan 8.150 nan 0.000 0.494 419 E N 2.733 122.947 120.200 0.023 0.000 2.081 419 E HA 0.424 4.774 4.350 -0.000 0.000 0.276 419 E C -0.881 175.713 176.600 -0.009 0.000 0.950 419 E CA 0.032 56.434 56.400 0.003 0.000 0.776 419 E CB 1.071 30.771 29.700 -0.001 0.000 1.094 419 E HN 0.563 nan 8.360 nan 0.000 0.402 420 L N 1.166 122.367 121.223 -0.037 0.000 2.333 420 L HA 0.484 4.824 4.340 -0.000 0.000 0.269 420 L C 0.294 177.104 176.870 -0.099 0.000 1.010 420 L CA -0.867 53.926 54.840 -0.078 0.000 0.818 420 L CB 1.943 43.917 42.059 -0.143 0.000 1.306 420 L HN 0.256 nan 8.230 nan 0.000 0.430 421 S N 2.695 118.332 115.700 -0.105 0.000 2.774 421 S HA 0.619 5.089 4.470 -0.000 0.000 0.297 421 S C -0.831 173.688 174.600 -0.136 0.000 1.143 421 S CA -0.531 57.606 58.200 -0.105 0.000 1.090 421 S CB 0.315 63.482 63.200 -0.055 0.000 1.019 421 S HN 0.432 nan 8.310 nan 0.000 0.482 422 L N 3.344 124.452 121.223 -0.192 0.000 2.334 422 L HA 0.526 4.866 4.340 -0.000 0.000 0.275 422 L C 0.365 177.171 176.870 -0.107 0.000 1.036 422 L CA -0.803 53.916 54.840 -0.202 0.000 0.807 422 L CB 1.871 43.725 42.059 -0.342 0.000 1.231 422 L HN 0.428 nan 8.230 nan 0.000 0.438 423 T N 1.518 116.038 114.554 -0.056 0.000 2.729 423 T HA 0.009 4.358 4.350 -0.000 0.000 0.296 423 T C 0.519 175.250 174.700 0.052 0.000 0.928 423 T CA -0.082 62.018 62.100 -0.001 0.000 1.045 423 T CB 0.706 69.566 68.868 -0.014 0.000 0.902 423 T HN 0.659 nan 8.240 nan 0.000 0.500 424 W N 4.171 125.394 121.300 -0.129 0.000 2.526 424 W HA 0.195 4.855 4.660 -0.000 0.000 0.294 424 W C 0.190 176.656 176.519 -0.087 0.000 1.181 424 W CA 0.131 57.422 57.345 -0.090 0.000 1.373 424 W CB 0.353 29.773 29.460 -0.067 0.000 1.112 424 W HN 0.404 nan 8.180 nan 0.000 0.545 425 K N 0.806 121.044 120.400 -0.269 0.000 2.527 425 K HA 0.269 4.589 4.320 -0.000 0.000 0.260 425 K C -1.291 175.098 176.600 -0.351 0.000 0.937 425 K CA -0.643 55.337 56.287 -0.512 0.000 0.826 425 K CB 2.861 34.964 32.500 -0.663 0.000 1.359 425 K HN -0.322 nan 8.250 nan 0.000 0.434 426 K N 2.197 122.283 120.400 -0.523 0.000 2.323 426 K HA 0.340 4.660 4.320 -0.000 0.000 0.259 426 K C -1.305 174.966 176.600 -0.549 0.000 0.947 426 K CA -0.676 55.288 56.287 -0.540 0.000 0.819 426 K CB 1.328 33.211 32.500 -1.027 0.000 1.109 426 K HN 0.409 nan 8.250 nan 0.000 0.429 427 Y N 1.935 122.166 120.300 -0.116 0.000 2.491 427 Y HA 0.187 4.737 4.550 -0.000 0.000 0.334 427 Y C 0.039 176.000 175.900 0.102 0.000 0.969 427 Y CA -0.774 57.351 58.100 0.042 0.000 1.241 427 Y CB 0.501 39.066 38.460 0.176 0.000 1.105 427 Y HN 0.557 nan 8.280 nan 0.000 0.503 428 H N 1.949 121.166 119.070 0.244 0.000 2.707 428 H HA 0.042 4.598 4.556 -0.000 0.000 0.359 428 H C 0.456 176.027 175.328 0.405 0.000 1.113 428 H CA 0.033 56.233 56.048 0.253 0.000 1.422 428 H CB 0.696 30.524 29.762 0.110 0.000 1.443 428 H HN 0.572 nan 8.280 nan 0.000 0.591 429 F N 1.426 121.509 119.950 0.222 0.000 2.095 429 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 429 F C 2.174 178.067 175.800 0.156 0.000 1.104 429 F CA 1.484 59.579 58.000 0.158 0.000 1.232 429 F CB -1.049 38.011 39.000 0.100 0.000 0.987 429 F HN 0.896 nan 8.300 nan 0.000 0.475 430 G N -0.431 108.581 108.800 0.353 0.000 2.596 430 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.295 430 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.295 430 G C 0.825 175.825 174.900 0.167 0.000 1.240 430 G CA 1.477 46.703 45.100 0.211 0.000 0.985 430 G HN 0.724 nan 8.290 nan 0.000 0.555 431 Q N -0.156 119.707 119.800 0.105 0.000 2.220 431 Q HA 0.517 4.857 4.340 -0.000 0.000 0.205 431 Q C 1.315 177.317 176.000 0.003 0.000 0.865 431 Q CA 1.335 57.164 55.803 0.043 0.000 0.960 431 Q CB -0.007 28.748 28.738 0.028 0.000 1.097 431 Q HN 0.877 nan 8.270 nan 0.000 0.493 432 R N -1.087 119.447 120.500 0.057 0.000 2.543 432 R HA 0.614 4.954 4.340 -0.000 0.000 0.268 432 R C -0.719 175.575 176.300 -0.010 0.000 1.067 432 R CA -0.794 55.354 56.100 0.080 0.000 1.142 432 R CB 0.586 30.978 30.300 0.155 0.000 1.110 432 R HN 0.369 nan 8.270 nan 0.000 0.549 433 F N 1.980 121.929 119.950 -0.002 0.000 2.538 433 F HA 0.099 4.626 4.527 -0.000 0.000 0.371 433 F C -1.132 174.611 175.800 -0.094 0.000 1.087 433 F CA -1.492 56.481 58.000 -0.045 0.000 1.250 433 F CB 0.648 39.636 39.000 -0.019 0.000 1.110 433 F HN 0.375 nan 8.300 nan 0.000 0.570 434 P HA -0.275 nan 4.420 nan 0.000 0.217 434 P C 1.620 179.036 177.300 0.192 0.000 1.151 434 P CA 1.732 64.700 63.100 -0.221 0.000 0.849 434 P CB 0.077 31.559 31.700 -0.364 0.000 0.787 435 K N 0.339 120.826 120.400 0.145 0.000 2.074 435 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 435 K C 1.876 178.555 176.600 0.132 0.000 1.048 435 K CA 1.841 58.189 56.287 0.101 0.000 0.926 435 K CB -0.288 32.233 32.500 0.036 0.000 0.713 435 K HN 0.168 nan 8.250 nan 0.000 0.444 436 E N -0.033 120.257 120.200 0.150 0.000 2.110 436 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 436 E C 2.018 178.709 176.600 0.151 0.000 0.988 436 E CA 1.424 57.903 56.400 0.132 0.000 0.804 436 E CB 0.052 29.845 29.700 0.155 0.000 0.745 436 E HN 0.142 nan 8.360 nan 0.000 0.458 437 V N 0.579 120.628 119.914 0.225 0.000 2.379 437 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 437 V C 2.015 178.248 176.094 0.231 0.000 1.044 437 V CA 1.612 64.091 62.300 0.297 0.000 1.036 437 V CB -0.623 31.471 31.823 0.451 0.000 0.664 437 V HN 0.256 nan 8.190 nan 0.000 0.453 438 Y N 1.093 121.433 120.300 0.068 0.000 2.128 438 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 438 Y C 2.750 178.521 175.900 -0.214 0.000 1.154 438 Y CA 2.139 60.036 58.100 -0.338 0.000 1.149 438 Y CB -0.150 37.976 38.460 -0.557 0.000 0.976 438 Y HN 0.289 nan 8.280 nan 0.000 0.505 439 Q N -0.433 119.392 119.800 0.041 0.000 2.119 439 Q HA -0.235 4.104 4.340 -0.000 0.000 0.201 439 Q C 2.227 178.177 176.000 -0.083 0.000 0.972 439 Q CA 1.602 57.403 55.803 -0.003 0.000 0.847 439 Q CB -0.214 28.548 28.738 0.039 0.000 0.903 439 Q HN 0.600 nan 8.270 nan 0.000 0.433 440 E N 0.518 120.658 120.200 -0.100 0.000 2.085 440 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 440 E C 1.901 178.276 176.600 -0.375 0.000 0.994 440 E CA 1.002 57.312 56.400 -0.149 0.000 0.801 440 E CB -0.031 29.622 29.700 -0.079 0.000 0.743 440 E HN 0.349 nan 8.360 nan 0.000 0.453 441 A N 0.765 123.186 122.820 -0.665 0.000 1.902 441 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 441 A C 2.056 179.480 177.584 -0.268 0.000 1.181 441 A CA 1.581 53.192 52.037 -0.710 0.000 0.623 441 A CB -0.531 18.069 19.000 -0.667 0.000 0.818 441 A HN 0.314 nan 8.150 nan 0.000 0.443 442 Q N -0.585 119.046 119.800 -0.282 0.000 2.096 442 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 442 Q C 2.001 177.979 176.000 -0.036 0.000 0.982 442 Q CA 1.875 57.592 55.803 -0.143 0.000 0.850 442 Q CB -0.201 28.472 28.738 -0.109 0.000 0.901 442 Q HN 0.789 nan 8.270 nan 0.000 0.422 443 E N -0.352 119.834 120.200 -0.024 0.000 2.106 443 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 443 E C 1.631 178.274 176.600 0.071 0.000 0.984 443 E CA 0.871 57.284 56.400 0.022 0.000 0.806 443 E CB -0.144 29.573 29.700 0.027 0.000 0.750 443 E HN 0.351 nan 8.360 nan 0.000 0.458 444 Y N 1.339 121.640 120.300 0.002 0.000 2.128 444 Y HA -0.250 4.299 4.550 -0.000 0.000 0.284 444 Y C 1.876 177.832 175.900 0.092 0.000 1.154 444 Y CA 1.569 59.724 58.100 0.091 0.000 1.149 444 Y CB -0.128 38.450 38.460 0.197 0.000 0.976 444 Y HN -0.039 nan 8.280 nan 0.000 0.505 445 L N -0.464 120.868 121.223 0.182 0.000 2.093 445 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 445 L C 2.773 179.635 176.870 -0.013 0.000 1.085 445 L CA 1.025 55.920 54.840 0.091 0.000 0.755 445 L CB -0.940 41.202 42.059 0.138 0.000 0.904 445 L HN 0.354 nan 8.230 nan 0.000 0.435 446 A N 0.054 122.868 122.820 -0.010 0.000 1.933 446 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 446 A C 2.340 179.892 177.584 -0.053 0.000 1.175 446 A CA 1.484 53.507 52.037 -0.023 0.000 0.628 446 A CB -0.414 18.580 19.000 -0.010 0.000 0.814 446 A HN 0.338 nan 8.150 nan 0.000 0.444 447 R N -1.181 119.268 120.500 -0.085 0.000 2.276 447 R HA 0.255 4.595 4.340 -0.000 0.000 0.196 447 R C 0.109 176.306 176.300 -0.170 0.000 0.961 447 R CA -0.284 55.750 56.100 -0.109 0.000 1.024 447 R CB -0.173 30.069 30.300 -0.096 0.000 0.940 447 R HN 0.416 nan 8.270 nan 0.000 0.480 448 L N 1.833 122.919 121.223 -0.228 0.000 2.534 448 L HA -0.052 4.288 4.340 -0.000 0.000 0.271 448 L C 0.875 177.640 176.870 -0.174 0.000 1.178 448 L CA 0.424 55.105 54.840 -0.265 0.000 0.907 448 L CB 0.864 42.776 42.059 -0.246 0.000 1.164 448 L HN 0.223 nan 8.230 nan 0.000 0.482 449 S N 1.801 117.399 115.700 -0.170 0.000 2.549 449 S HA 0.148 4.618 4.470 -0.000 0.000 0.225 449 S C 0.559 175.074 174.600 -0.142 0.000 1.039 449 S CA -0.537 57.587 58.200 -0.126 0.000 0.942 449 S CB 0.437 63.582 63.200 -0.092 0.000 0.881 449 S HN 0.687 nan 8.310 nan 0.000 0.503 450 Q N 1.430 121.113 119.800 -0.195 0.000 2.237 450 Q HA 0.600 4.940 4.340 -0.000 0.000 0.219 450 Q C -0.787 175.027 176.000 -0.310 0.000 0.999 450 Q CA -0.404 55.267 55.803 -0.219 0.000 0.959 450 Q CB 1.140 29.744 28.738 -0.223 0.000 1.173 450 Q HN 0.275 nan 8.270 nan 0.000 0.527 451 S N 0.292 115.822 115.700 -0.283 0.000 2.501 451 S HA 0.462 4.932 4.470 -0.000 0.000 0.301 451 S C -0.871 173.514 174.600 -0.358 0.000 1.096 451 S CA -0.689 57.346 58.200 -0.275 0.000 1.063 451 S CB 0.502 63.632 63.200 -0.117 0.000 1.042 451 S HN 0.282 nan 8.310 nan 0.000 0.494 452 F N 2.252 122.104 119.950 -0.163 0.000 2.518 452 F HA 0.304 4.831 4.527 -0.000 0.000 0.359 452 F C 1.134 176.867 175.800 -0.112 0.000 1.118 452 F CA 0.314 58.190 58.000 -0.206 0.000 1.287 452 F CB 0.398 39.249 39.000 -0.248 0.000 1.132 452 F HN 0.444 nan 8.300 nan 0.000 0.587 453 Q N 2.625 122.492 119.800 0.112 0.000 2.456 453 Q HA 0.559 4.899 4.340 -0.000 0.000 0.284 453 Q C -1.504 174.574 176.000 0.130 0.000 1.061 453 Q CA -1.057 54.801 55.803 0.091 0.000 0.799 453 Q CB 3.139 31.909 28.738 0.055 0.000 1.445 453 Q HN 0.306 nan 8.270 nan 0.000 0.411 454 I N 2.956 123.607 120.570 0.135 0.000 2.378 454 I HA 0.471 4.641 4.170 -0.000 0.000 0.291 454 I C -0.071 176.137 176.117 0.151 0.000 0.992 454 I CA -0.538 60.872 61.300 0.184 0.000 1.154 454 I CB 0.981 39.108 38.000 0.212 0.000 1.315 454 I HN 0.603 nan 8.210 nan 0.000 0.448 455 I N 2.713 123.387 120.570 0.173 0.000 2.797 455 I HA 0.713 4.883 4.170 -0.000 0.000 0.307 455 I C -0.515 175.738 176.117 0.227 0.000 1.033 455 I CA -0.803 60.603 61.300 0.177 0.000 1.071 455 I CB 2.169 40.288 38.000 0.199 0.000 1.255 455 I HN 0.457 nan 8.210 nan 0.000 0.445 456 D N 0.836 121.342 120.400 0.177 0.000 2.564 456 D HA 0.245 4.885 4.640 -0.000 0.000 0.273 456 D C 1.163 177.476 176.300 0.021 0.000 1.192 456 D CA 0.023 54.130 54.000 0.179 0.000 1.080 456 D CB 0.374 41.213 40.800 0.064 0.000 1.160 456 D HN 0.758 nan 8.370 nan 0.000 0.607 457 T N -3.070 111.347 114.554 -0.228 0.000 2.881 457 T HA -0.180 4.170 4.350 -0.000 0.000 0.270 457 T C 1.706 176.189 174.700 -0.363 0.000 1.068 457 T CA 1.461 63.170 62.100 -0.651 0.000 1.131 457 T CB -0.795 67.800 68.868 -0.455 0.000 0.871 457 T HN 0.453 nan 8.240 nan 0.000 0.479 458 S N 0.606 116.201 115.700 -0.174 0.000 2.561 458 S HA 0.387 4.856 4.470 -0.000 0.000 0.225 458 S C 1.977 176.534 174.600 -0.072 0.000 0.977 458 S CA 0.516 58.652 58.200 -0.107 0.000 0.926 458 S CB -0.713 62.450 63.200 -0.062 0.000 0.769 458 S HN 1.251 nan 8.310 nan 0.000 0.533 459 G N 0.620 109.385 108.800 -0.058 0.000 2.175 459 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 459 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 459 G C -0.117 174.801 174.900 0.030 0.000 0.982 459 G CA 0.164 45.266 45.100 0.003 0.000 0.641 459 G HN 0.788 nan 8.290 nan 0.000 0.527 460 Q N 0.885 120.698 119.800 0.021 0.000 2.311 460 Q HA 0.461 4.800 4.340 -0.000 0.000 0.272 460 Q C 0.409 176.439 176.000 0.050 0.000 1.012 460 Q CA -0.306 55.514 55.803 0.028 0.000 0.891 460 Q CB 0.819 29.567 28.738 0.016 0.000 1.201 460 Q HN 0.250 nan 8.270 nan 0.000 0.391 461 V N 5.370 125.313 119.914 0.048 0.000 2.614 461 V HA 0.163 4.283 4.120 -0.000 0.000 0.291 461 V C 0.309 176.435 176.094 0.052 0.000 1.049 461 V CA -0.057 62.277 62.300 0.057 0.000 1.038 461 V CB 1.040 32.891 31.823 0.047 0.000 0.980 461 V HN 0.778 nan 8.190 nan 0.000 0.481 462 R N 6.460 126.999 120.500 0.064 0.000 2.235 462 R HA 0.240 4.580 4.340 -0.000 0.000 0.338 462 R C -1.513 174.819 176.300 0.053 0.000 1.087 462 R CA -1.409 54.727 56.100 0.059 0.000 0.948 462 R CB 0.935 31.279 30.300 0.073 0.000 1.099 462 R HN 0.579 nan 8.270 nan 0.000 0.483 463 P HA -0.103 nan 4.420 nan 0.000 0.223 463 P C -0.019 177.303 177.300 0.037 0.000 1.151 463 P CA 1.034 64.156 63.100 0.035 0.000 0.787 463 P CB 0.480 32.196 31.700 0.027 0.000 0.788 464 E N 0.346 120.570 120.200 0.040 0.000 2.427 464 E HA 0.139 4.489 4.350 -0.000 0.000 0.196 464 E C 1.084 177.711 176.600 0.045 0.000 1.028 464 E CA 0.104 56.528 56.400 0.040 0.000 0.864 464 E CB -0.641 29.084 29.700 0.042 0.000 0.813 464 E HN 0.241 nan 8.360 nan 0.000 0.514 465 A N 1.629 124.480 122.820 0.053 0.000 2.498 465 A HA 0.054 4.373 4.320 -0.000 0.000 0.239 465 A C 0.065 177.675 177.584 0.042 0.000 1.068 465 A CA 0.078 52.148 52.037 0.055 0.000 0.766 465 A CB 0.187 19.231 19.000 0.073 0.000 1.003 465 A HN 0.117 nan 8.150 nan 0.000 0.497 466 E N 2.562 122.782 120.200 0.034 0.000 2.185 466 E HA 0.376 4.725 4.350 -0.000 0.000 0.261 466 E C -1.032 175.579 176.600 0.018 0.000 0.879 466 E CA -0.725 55.691 56.400 0.027 0.000 0.756 466 E CB 0.706 30.420 29.700 0.024 0.000 1.152 466 E HN 0.544 nan 8.360 nan 0.000 0.416 467 I N 6.520 127.105 120.570 0.024 0.000 2.436 467 I HA 0.011 4.181 4.170 -0.000 0.000 0.289 467 I C 1.262 177.387 176.117 0.014 0.000 1.083 467 I CA 0.324 61.635 61.300 0.019 0.000 1.372 467 I CB 0.562 38.598 38.000 0.060 0.000 1.408 467 I HN 0.763 nan 8.210 nan 0.000 0.516 468 L N 5.387 126.608 121.223 -0.003 0.000 2.249 468 L HA 0.292 4.632 4.340 -0.000 0.000 0.207 468 L C 1.090 177.963 176.870 0.006 0.000 1.090 468 L CA 0.361 55.202 54.840 0.001 0.000 0.802 468 L CB 0.025 42.081 42.059 -0.006 0.000 0.947 468 L HN 0.828 nan 8.230 nan 0.000 0.453 469 G N -0.799 108.000 108.800 -0.001 0.000 2.322 469 G HA2 0.380 4.340 3.960 -0.000 0.000 0.295 469 G HA3 0.380 4.340 3.960 -0.000 0.000 0.295 469 G C -1.301 173.597 174.900 -0.003 0.000 1.369 469 G CA -0.055 45.052 45.100 0.012 0.000 0.821 469 G HN -0.083 nan 8.290 nan 0.000 0.536 470 T N -2.146 112.424 114.554 0.026 0.000 2.907 470 T HA 0.905 5.255 4.350 -0.000 0.000 0.292 470 T C 0.021 174.746 174.700 0.042 0.000 1.043 470 T CA 0.199 62.316 62.100 0.028 0.000 1.003 470 T CB 1.756 70.690 68.868 0.110 0.000 1.084 470 T HN 2.127 nan 8.240 nan 0.000 0.483 471 S N 0.762 116.489 115.700 0.045 0.000 2.643 471 S HA 0.736 5.206 4.470 -0.000 0.000 0.270 471 S C -1.381 173.254 174.600 0.059 0.000 1.166 471 S CA -1.147 57.084 58.200 0.051 0.000 0.815 471 S CB 0.772 64.003 63.200 0.051 0.000 1.139 471 S HN 0.834 nan 8.310 nan 0.000 0.472 472 I N 1.094 121.687 120.570 0.039 0.000 2.404 472 I HA 0.742 4.912 4.170 -0.000 0.000 0.293 472 I C -0.141 176.065 176.117 0.150 0.000 0.992 472 I CA -0.713 60.600 61.300 0.023 0.000 1.149 472 I CB 1.705 39.541 38.000 -0.273 0.000 1.315 472 I HN 0.958 nan 8.210 nan 0.000 0.446 473 A N 5.754 128.717 122.820 0.238 0.000 2.427 473 A HA 0.550 4.870 4.320 -0.000 0.000 0.298 473 A C -0.913 176.924 177.584 0.421 0.000 1.036 473 A CA -0.501 51.720 52.037 0.308 0.000 0.701 473 A CB 0.960 20.067 19.000 0.179 0.000 1.250 473 A HN 0.592 nan 8.150 nan 0.000 0.412 474 F N 2.459 122.668 119.950 0.432 0.000 2.607 474 F HA 0.416 4.943 4.527 -0.000 0.000 0.374 474 F C 0.144 175.924 175.800 -0.034 0.000 1.104 474 F CA 1.309 59.455 58.000 0.243 0.000 1.296 474 F CB 0.367 39.521 39.000 0.257 0.000 1.085 474 F HN 0.675 nan 8.300 nan 0.000 0.584 475 D N 3.312 122.870 120.400 -1.403 0.000 2.665 475 D HA 0.379 5.019 4.640 -0.000 0.000 0.287 475 D C -1.764 173.480 176.300 -1.760 0.000 1.266 475 D CA -0.206 53.027 54.000 -1.278 0.000 0.830 475 D CB 1.581 41.899 40.800 -0.804 0.000 1.356 475 D HN 0.454 nan 8.370 nan 0.000 0.437 476 Y N -1.363 118.225 120.300 -1.187 0.000 2.609 476 Y HA 0.654 5.204 4.550 -0.000 0.000 0.336 476 Y C -1.542 174.218 175.900 -0.233 0.000 1.129 476 Y CA -0.981 56.656 58.100 -0.772 0.000 1.040 476 Y CB 1.340 39.469 38.460 -0.553 0.000 1.310 476 Y HN -0.062 nan 8.280 nan 0.000 0.460 477 D N 2.352 122.796 120.400 0.074 0.000 2.252 477 D HA 0.499 5.139 4.640 -0.000 0.000 0.245 477 D C -0.941 175.397 176.300 0.063 0.000 1.009 477 D CA -0.407 53.617 54.000 0.039 0.000 0.870 477 D CB 2.650 43.511 40.800 0.102 0.000 1.251 477 D HN 0.665 nan 8.370 nan 0.000 0.460 478 L N 2.760 124.000 121.223 0.028 0.000 2.387 478 L HA 0.322 4.662 4.340 -0.000 0.000 0.259 478 L C -2.200 174.681 176.870 0.019 0.000 1.050 478 L CA -1.620 53.243 54.840 0.037 0.000 0.922 478 L CB 0.904 43.006 42.059 0.073 0.000 1.280 478 L HN 0.022 nan 8.230 nan 0.000 0.449 479 P HA 0.129 nan 4.420 nan 0.000 0.270 479 P C 0.458 177.767 177.300 0.016 0.000 1.223 479 P CA -0.478 62.627 63.100 0.008 0.000 0.785 479 P CB 0.968 32.673 31.700 0.009 0.000 0.923 480 K N 1.309 121.714 120.400 0.008 0.000 2.211 480 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 480 K C 1.105 177.715 176.600 0.017 0.000 1.050 480 K CA 1.284 57.579 56.287 0.013 0.000 0.945 480 K CB 0.130 32.630 32.500 -0.000 0.000 0.732 480 K HN 0.389 nan 8.250 nan 0.000 0.451 481 R N 0.298 120.808 120.500 0.016 0.000 2.549 481 R HA 0.148 4.488 4.340 -0.000 0.000 0.344 481 R C 0.251 176.571 176.300 0.034 0.000 0.979 481 R CA 0.073 56.184 56.100 0.019 0.000 1.140 481 R CB 0.876 31.179 30.300 0.005 0.000 1.377 481 R HN 0.167 nan 8.270 nan 0.000 0.541 482 S N -1.214 114.517 115.700 0.052 0.000 2.688 482 S HA 0.439 4.909 4.470 -0.000 0.000 0.275 482 S C -0.674 174.013 174.600 0.146 0.000 1.175 482 S CA -0.870 57.384 58.200 0.091 0.000 0.818 482 S CB 1.223 64.465 63.200 0.070 0.000 1.157 482 S HN 0.014 nan 8.310 nan 0.000 0.482 483 F N 3.342 123.294 119.950 0.004 0.000 2.490 483 F HA 0.388 4.915 4.527 -0.000 0.000 0.336 483 F C 1.350 177.164 175.800 0.024 0.000 1.178 483 F CA -0.768 57.238 58.000 0.010 0.000 1.301 483 F CB 0.661 39.664 39.000 0.005 0.000 1.175 483 F HN 0.837 nan 8.300 nan 0.000 0.593 484 R N 2.993 123.076 120.500 -0.694 0.000 2.678 484 R HA 0.039 4.379 4.340 -0.000 0.000 0.264 484 R C -1.196 174.948 176.300 -0.261 0.000 0.995 484 R CA 0.185 55.999 56.100 -0.477 0.000 1.098 484 R CB -0.085 29.833 30.300 -0.636 0.000 0.949 484 R HN 0.699 nan 8.270 nan 0.000 0.422 485 E N 2.997 123.159 120.200 -0.064 0.000 2.331 485 E HA 0.282 4.632 4.350 -0.000 0.000 0.243 485 E C -2.371 174.263 176.600 0.057 0.000 0.925 485 E CA -2.119 54.318 56.400 0.063 0.000 0.760 485 E CB 2.064 31.852 29.700 0.147 0.000 1.254 485 E HN 0.554 nan 8.360 nan 0.000 0.419 486 P HA 0.167 nan 4.420 nan 0.000 0.281 486 P C -1.209 175.700 177.300 -0.652 0.000 1.249 486 P CA -0.196 62.547 63.100 -0.595 0.000 0.810 486 P CB 0.520 31.738 31.700 -0.804 0.000 1.008 487 Y N -1.536 118.213 120.300 -0.919 0.000 2.677 487 Y HA 0.625 5.175 4.550 -0.000 0.000 0.334 487 Y C -1.633 174.005 175.900 -0.437 0.000 1.196 487 Y CA -1.569 56.177 58.100 -0.589 0.000 1.059 487 Y CB 0.350 38.463 38.460 -0.578 0.000 1.315 487 Y HN 0.002 nan 8.280 nan 0.000 0.455 488 F N 1.997 122.182 119.950 0.391 0.000 2.405 488 F HA 0.760 5.286 4.527 -0.000 0.000 0.355 488 F C 0.491 176.494 175.800 0.338 0.000 1.121 488 F CA -0.799 57.403 58.000 0.336 0.000 1.112 488 F CB 1.450 40.659 39.000 0.347 0.000 1.126 488 F HN 0.787 nan 8.300 nan 0.000 0.481 489 A N 4.591 127.672 122.820 0.435 0.000 2.301 489 A HA 0.670 4.990 4.320 -0.000 0.000 0.312 489 A C -0.393 177.340 177.584 0.248 0.000 1.182 489 A CA -0.649 51.581 52.037 0.322 0.000 0.826 489 A CB 0.360 19.519 19.000 0.266 0.000 1.134 489 A HN 0.558 nan 8.150 nan 0.000 0.501 490 I N 3.083 123.790 120.570 0.228 0.000 2.379 490 I HA 0.179 4.349 4.170 -0.000 0.000 0.290 490 I C 0.013 176.222 176.117 0.153 0.000 1.063 490 I CA 0.015 61.447 61.300 0.221 0.000 1.351 490 I CB 0.430 38.642 38.000 0.352 0.000 1.410 490 I HN 0.478 nan 8.210 nan 0.000 0.505 491 K N 5.957 126.408 120.400 0.085 0.000 2.159 491 K HA 0.538 4.858 4.320 -0.000 0.000 0.266 491 K C -0.718 175.829 176.600 -0.089 0.000 0.975 491 K CA -0.730 55.561 56.287 0.006 0.000 0.865 491 K CB 2.599 35.109 32.500 0.017 0.000 1.087 491 K HN 0.229 nan 8.250 nan 0.000 0.446 492 V N 3.266 123.061 119.914 -0.197 0.000 2.357 492 V HA 0.318 4.438 4.120 -0.000 0.000 0.284 492 V C 0.033 175.998 176.094 -0.214 0.000 1.018 492 V CA -0.947 61.156 62.300 -0.327 0.000 0.841 492 V CB 1.345 32.751 31.823 -0.696 0.000 0.991 492 V HN 0.560 nan 8.190 nan 0.000 0.437 493 R N 5.417 125.832 120.500 -0.143 0.000 2.265 493 R HA 0.815 5.154 4.340 -0.000 0.000 0.319 493 R C -0.962 175.286 176.300 -0.088 0.000 1.006 493 R CA -0.230 55.813 56.100 -0.095 0.000 0.880 493 R CB 0.833 31.102 30.300 -0.051 0.000 1.077 493 R HN 0.787 nan 8.270 nan 0.000 0.454 494 L N 0.164 121.337 121.223 -0.083 0.000 2.540 494 L HA 0.697 5.036 4.340 -0.000 0.000 0.256 494 L C -1.166 175.685 176.870 -0.032 0.000 1.001 494 L CA -1.178 53.628 54.840 -0.056 0.000 0.843 494 L CB 2.136 44.152 42.059 -0.071 0.000 1.436 494 L HN 0.446 nan 8.230 nan 0.000 0.410 495 R N 1.486 121.983 120.500 -0.006 0.000 2.393 495 R HA 0.721 5.060 4.340 -0.000 0.000 0.310 495 R C -1.483 174.835 176.300 0.031 0.000 0.968 495 R CA -0.804 55.303 56.100 0.012 0.000 0.867 495 R CB 2.209 32.519 30.300 0.016 0.000 1.124 495 R HN 0.624 nan 8.270 nan 0.000 0.450 496 L N 5.084 126.335 121.223 0.047 0.000 2.442 496 L HA 0.407 4.747 4.340 -0.000 0.000 0.261 496 L C -2.608 174.306 176.870 0.074 0.000 1.000 496 L CA -2.028 52.857 54.840 0.075 0.000 0.882 496 L CB 1.670 43.799 42.059 0.117 0.000 1.207 496 L HN 0.385 nan 8.230 nan 0.000 0.443 497 P HA 0.276 nan 4.420 nan 0.000 0.267 497 P C -0.877 176.463 177.300 0.067 0.000 1.209 497 P CA 0.431 63.568 63.100 0.062 0.000 0.763 497 P CB 0.628 32.361 31.700 0.055 0.000 0.816 498 I N 1.901 122.512 120.570 0.068 0.000 2.841 498 I HA 0.328 4.498 4.170 -0.000 0.000 0.298 498 I C -1.160 174.994 176.117 0.062 0.000 1.304 498 I CA -0.343 60.996 61.300 0.065 0.000 1.019 498 I CB 2.215 40.260 38.000 0.075 0.000 1.282 498 I HN 0.095 nan 8.210 nan 0.000 0.432 499 T N 7.307 121.892 114.554 0.052 0.000 2.792 499 T HA 0.620 4.970 4.350 -0.000 0.000 0.280 499 T C -0.785 173.934 174.700 0.031 0.000 0.990 499 T CA -0.340 61.789 62.100 0.049 0.000 0.960 499 T CB 1.021 69.918 68.868 0.048 0.000 0.939 499 T HN 0.290 nan 8.240 nan 0.000 0.439 500 L N 5.626 126.867 121.223 0.031 0.000 2.381 500 L HA 0.463 4.803 4.340 -0.000 0.000 0.274 500 L C -2.369 174.489 176.870 -0.020 0.000 0.988 500 L CA -2.393 52.450 54.840 0.006 0.000 0.824 500 L CB 2.334 44.411 42.059 0.030 0.000 1.263 500 L HN 0.360 nan 8.230 nan 0.000 0.410 501 P HA 0.068 nan 4.420 nan 0.000 0.271 501 P C -0.567 176.655 177.300 -0.130 0.000 1.244 501 P CA -0.406 62.631 63.100 -0.105 0.000 0.793 501 P CB 0.513 32.127 31.700 -0.144 0.000 0.984 502 A N 2.352 125.061 122.820 -0.185 0.000 2.587 502 A HA 0.107 4.427 4.320 -0.000 0.000 0.235 502 A C 0.699 178.147 177.584 -0.228 0.000 1.044 502 A CA 0.272 52.172 52.037 -0.228 0.000 0.754 502 A CB -1.234 17.568 19.000 -0.329 0.000 0.968 502 A HN 0.684 nan 8.150 nan 0.000 0.509 503 M N 1.853 121.323 119.600 -0.217 0.000 2.259 503 M HA -0.169 4.311 4.480 -0.000 0.000 0.188 503 M C -0.217 176.008 176.300 -0.125 0.000 0.665 503 M CA 1.221 56.373 55.300 -0.245 0.000 0.464 503 M CB -1.872 30.417 32.600 -0.518 0.000 1.063 503 M HN 0.765 nan 8.290 nan 0.000 0.912 504 S N -0.129 115.549 115.700 -0.037 0.000 2.627 504 S HA 0.904 5.374 4.470 -0.000 0.000 0.283 504 S C -1.077 173.590 174.600 0.111 0.000 1.127 504 S CA -0.367 57.779 58.200 -0.091 0.000 0.863 504 S CB 1.620 64.719 63.200 -0.170 0.000 1.121 504 S HN 0.665 nan 8.310 nan 0.000 0.479 505 W N 0.999 122.301 121.300 0.003 0.000 2.962 505 W HA 0.895 5.555 4.660 -0.000 0.000 0.341 505 W C -1.166 175.267 176.519 -0.143 0.000 1.155 505 W CA -0.996 56.240 57.345 -0.183 0.000 1.165 505 W CB 0.709 29.905 29.460 -0.439 0.000 1.435 505 W HN 0.602 nan 8.180 nan 0.000 0.546 506 K N 0.973 121.435 120.400 0.103 0.000 2.513 506 K HA 0.569 4.889 4.320 -0.000 0.000 0.251 506 K C -1.257 175.329 176.600 -0.024 0.000 0.939 506 K CA -0.337 55.983 56.287 0.055 0.000 0.793 506 K CB 1.971 34.465 32.500 -0.009 0.000 1.241 506 K HN 0.532 nan 8.250 nan 0.000 0.431 507 T N 4.666 119.238 114.554 0.030 0.000 2.799 507 T HA 0.544 4.894 4.350 -0.000 0.000 0.286 507 T C -0.262 174.383 174.700 -0.093 0.000 0.973 507 T CA -0.575 61.473 62.100 -0.087 0.000 1.035 507 T CB 0.368 69.285 68.868 0.082 0.000 0.932 507 T HN 0.416 nan 8.240 nan 0.000 0.469 508 L N 1.257 122.135 121.223 -0.575 0.000 2.183 508 L HA 0.970 5.310 4.340 -0.000 0.000 0.253 508 L C -0.342 175.920 176.870 -1.013 0.000 1.048 508 L CA -1.465 53.025 54.840 -0.584 0.000 0.890 508 L CB 1.648 43.313 42.059 -0.657 0.000 1.476 508 L HN 0.718 nan 8.230 nan 0.000 0.455 509 A N 0.605 123.140 122.820 -0.476 0.000 2.572 509 A HA 0.705 5.025 4.320 -0.000 0.000 0.295 509 A C -1.806 175.939 177.584 0.269 0.000 1.072 509 A CA -0.417 51.508 52.037 -0.187 0.000 0.691 509 A CB 1.784 20.533 19.000 -0.419 0.000 1.291 509 A HN 0.468 nan 8.150 nan 0.000 0.404 510 L N 1.703 123.149 121.223 0.373 0.000 2.292 510 L HA 0.777 5.117 4.340 -0.000 0.000 0.284 510 L C 0.065 177.138 176.870 0.338 0.000 1.065 510 L CA 0.230 55.251 54.840 0.301 0.000 0.806 510 L CB 0.725 42.900 42.059 0.193 0.000 1.175 510 L HN 0.846 nan 8.230 nan 0.000 0.431 511 K N 3.868 124.393 120.400 0.208 0.000 2.522 511 K HA 0.644 4.964 4.320 -0.000 0.000 0.275 511 K C -1.739 174.823 176.600 -0.065 0.000 1.006 511 K CA -0.958 55.432 56.287 0.172 0.000 0.890 511 K CB 1.163 33.788 32.500 0.208 0.000 1.475 511 K HN 0.522 nan 8.250 nan 0.000 0.441 512 L N 0.995 122.148 121.223 -0.118 0.000 2.307 512 L HA 0.677 5.017 4.340 -0.000 0.000 0.282 512 L C 0.156 176.964 176.870 -0.104 0.000 1.051 512 L CA -0.303 54.377 54.840 -0.268 0.000 0.804 512 L CB 1.699 43.593 42.059 -0.274 0.000 1.197 512 L HN 0.984 nan 8.230 nan 0.000 0.431 523 S N 3.810 119.526 115.700 0.027 0.000 2.600 523 S HA 0.465 4.935 4.470 -0.000 0.000 0.265 523 S C 1.282 175.915 174.600 0.055 0.000 1.325 523 S CA -0.517 57.711 58.200 0.046 0.000 1.002 523 S CB 0.984 64.221 63.200 0.061 0.000 0.921 523 S HN 0.649 nan 8.310 nan 0.000 0.554 524 L N 0.172 121.443 121.223 0.081 0.000 2.217 524 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 524 L C 0.388 177.347 176.870 0.148 0.000 1.107 524 L CA 0.981 55.879 54.840 0.096 0.000 0.783 524 L CB -0.178 41.937 42.059 0.093 0.000 0.919 524 L HN 0.581 nan 8.230 nan 0.000 0.442 525 Y N 0.773 121.086 120.300 0.020 0.000 2.342 525 Y HA 0.315 4.865 4.550 -0.000 0.000 0.334 525 Y C -0.562 175.349 175.900 0.019 0.000 1.067 525 Y CA -1.569 56.544 58.100 0.022 0.000 1.128 525 Y CB 1.062 39.536 38.460 0.023 0.000 1.200 525 Y HN -0.144 nan 8.280 nan 0.000 0.464 526 D N 4.250 124.251 120.400 -0.664 0.000 2.453 526 D HA 0.113 4.753 4.640 -0.000 0.000 0.238 526 D C 0.102 175.902 176.300 -0.834 0.000 1.088 526 D CA -0.226 53.458 54.000 -0.527 0.000 0.854 526 D CB 1.199 41.836 40.800 -0.272 0.000 1.076 526 D HN 0.803 nan 8.370 nan 0.000 0.533 527 D N 1.616 121.672 120.400 -0.573 0.000 2.178 527 D HA -0.173 4.467 4.640 -0.000 0.000 0.202 527 D C 1.717 177.915 176.300 -0.170 0.000 0.974 527 D CA 1.531 55.332 54.000 -0.331 0.000 0.841 527 D CB 0.465 41.247 40.800 -0.029 0.000 0.953 527 D HN 0.335 nan 8.370 nan 0.000 0.478 528 S N -1.090 114.522 115.700 -0.147 0.000 2.481 528 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 528 S C 1.697 176.248 174.600 -0.081 0.000 0.996 528 S CA 0.616 58.767 58.200 -0.082 0.000 0.942 528 S CB -0.076 63.086 63.200 -0.063 0.000 0.768 528 S HN 0.151 nan 8.310 nan 0.000 0.520 529 N N 0.846 119.467 118.700 -0.133 0.000 2.227 529 N HA 0.120 4.860 4.740 -0.000 0.000 0.196 529 N C -0.231 175.229 175.510 -0.084 0.000 1.142 529 N CA 0.072 53.062 53.050 -0.098 0.000 0.887 529 N CB -0.169 38.252 38.487 -0.109 0.000 1.022 529 N HN 0.413 nan 8.380 nan 0.000 0.500 530 Q N -0.118 119.595 119.800 -0.145 0.000 2.434 530 Q HA -0.205 4.135 4.340 -0.000 0.000 0.299 530 Q C -1.079 174.981 176.000 0.101 0.000 1.286 530 Q CA 0.426 56.238 55.803 0.015 0.000 0.872 530 Q CB -2.238 26.576 28.738 0.128 0.000 1.193 530 Q HN 0.324 nan 8.270 nan 0.000 0.466 531 C N 0.806 120.058 119.300 -0.080 0.000 2.340 531 C HA 0.578 5.037 4.460 -0.000 0.000 0.323 531 C C 0.400 175.470 174.990 0.134 0.000 1.260 531 C CA -0.789 58.258 59.018 0.048 0.000 1.464 531 C CB 0.796 28.531 27.740 -0.008 0.000 2.156 531 C HN 0.411 nan 8.230 nan 0.000 0.476 532 L N 3.540 124.916 121.223 0.256 0.000 2.276 532 L HA 0.554 4.894 4.340 -0.000 0.000 0.286 532 L C 0.123 177.074 176.870 0.133 0.000 1.061 532 L CA 0.302 55.285 54.840 0.239 0.000 0.807 532 L CB 0.810 42.989 42.059 0.200 0.000 1.177 532 L HN 0.680 nan 8.230 nan 0.000 0.429 533 E N 3.145 123.408 120.200 0.106 0.000 2.278 533 E HA 0.306 4.656 4.350 -0.000 0.000 0.272 533 E C -1.392 175.251 176.600 0.072 0.000 0.890 533 E CA -0.639 55.808 56.400 0.079 0.000 0.770 533 E CB 1.773 31.502 29.700 0.049 0.000 1.212 533 E HN 0.719 nan 8.360 nan 0.000 0.415 534 N N 1.763 120.512 118.700 0.081 0.000 3.201 534 N HA 0.345 5.085 4.740 -0.000 0.000 0.344 534 N C 0.973 176.483 175.510 0.000 0.000 1.465 534 N CA -0.142 52.945 53.050 0.061 0.000 0.731 534 N CB -0.136 38.423 38.487 0.119 0.000 1.677 534 N HN 0.416 nan 8.380 nan 0.000 0.631 535 G N -1.232 107.501 108.800 -0.111 0.000 2.470 535 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.220 535 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.220 535 G C 0.383 175.042 174.900 -0.402 0.000 1.121 535 G CA 0.569 45.477 45.100 -0.320 0.000 0.766 535 G HN 0.404 nan 8.290 nan 0.000 0.553 536 F N -0.504 119.463 119.950 0.028 0.000 2.453 536 F HA 0.467 4.994 4.527 -0.000 0.000 0.284 536 F C 0.891 176.728 175.800 0.062 0.000 1.065 536 F CA 0.079 58.100 58.000 0.035 0.000 1.411 536 F CB 0.222 39.235 39.000 0.022 0.000 1.131 536 F HN -0.146 nan 8.300 nan 0.000 0.582 537 L N 0.262 121.637 121.223 0.254 0.000 2.401 537 L HA 0.437 4.777 4.340 -0.000 0.000 0.266 537 L C -0.675 176.279 176.870 0.140 0.000 0.991 537 L CA -0.894 54.068 54.840 0.205 0.000 0.818 537 L CB 2.544 44.739 42.059 0.228 0.000 1.321 537 L HN -0.208 nan 8.230 nan 0.000 0.413 538 K N 2.073 122.546 120.400 0.121 0.000 2.307 538 K HA 0.614 4.933 4.320 -0.000 0.000 0.263 538 K C -1.533 175.124 176.600 0.096 0.000 0.973 538 K CA -0.484 55.858 56.287 0.092 0.000 0.846 538 K CB 1.676 34.216 32.500 0.068 0.000 1.100 538 K HN 0.372 nan 8.250 nan 0.000 0.438 539 V N 6.294 126.266 119.914 0.097 0.000 2.304 539 V HA 0.275 4.395 4.120 -0.000 0.000 0.278 539 V C -0.181 175.973 176.094 0.101 0.000 1.018 539 V CA -0.679 61.677 62.300 0.094 0.000 0.814 539 V CB 1.134 33.018 31.823 0.102 0.000 1.021 539 V HN 0.877 nan 8.190 nan 0.000 0.440 540 M N 5.883 125.530 119.600 0.079 0.000 2.084 540 M HA 0.517 4.997 4.480 -0.000 0.000 0.351 540 M C -0.635 175.713 176.300 0.079 0.000 1.240 540 M CA -0.443 54.903 55.300 0.076 0.000 1.083 540 M CB 0.719 33.348 32.600 0.049 0.000 1.593 540 M HN 0.496 nan 8.290 nan 0.000 0.463 541 I N 5.744 126.380 120.570 0.110 0.000 2.436 541 I HA 0.038 4.208 4.170 -0.000 0.000 0.289 541 I C 0.409 176.567 176.117 0.068 0.000 1.083 541 I CA -0.117 61.242 61.300 0.098 0.000 1.372 541 I CB 0.593 38.673 38.000 0.132 0.000 1.408 541 I HN 0.676 nan 8.210 nan 0.000 0.516 542 Q N 3.289 123.114 119.800 0.041 0.000 2.471 542 Q HA 0.068 4.408 4.340 -0.000 0.000 0.223 542 Q C 1.565 177.581 176.000 0.028 0.000 1.045 542 Q CA 0.066 55.884 55.803 0.025 0.000 0.956 542 Q CB 0.618 29.358 28.738 0.004 0.000 1.249 542 Q HN 0.776 nan 8.270 nan 0.000 0.549 543 T N -2.250 112.316 114.554 0.020 0.000 2.803 543 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 543 T C 1.041 175.752 174.700 0.018 0.000 1.052 543 T CA 1.578 63.691 62.100 0.022 0.000 1.136 543 T CB -0.238 68.640 68.868 0.016 0.000 0.864 543 T HN 0.766 nan 8.240 nan 0.000 0.467 544 D N 0.917 121.321 120.400 0.007 0.000 2.340 544 D HA 0.236 4.876 4.640 -0.000 0.000 0.220 544 D C 1.676 177.979 176.300 0.004 0.000 1.039 544 D CA 0.598 54.598 54.000 0.000 0.000 0.866 544 D CB -0.703 40.086 40.800 -0.018 0.000 0.913 544 D HN 0.636 nan 8.370 nan 0.000 0.523 545 G N 0.148 108.958 108.800 0.017 0.000 2.217 545 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.246 545 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.246 545 G C 0.489 175.403 174.900 0.024 0.000 0.990 545 G CA 0.027 45.148 45.100 0.035 0.000 0.627 545 G HN 0.467 nan 8.290 nan 0.000 0.522 546 R N -0.346 120.142 120.500 -0.019 0.000 2.726 546 R HA 0.647 4.987 4.340 -0.000 0.000 0.272 546 R C 0.332 176.609 176.300 -0.038 0.000 1.097 546 R CA -0.126 55.933 56.100 -0.069 0.000 1.198 546 R CB 0.375 30.610 30.300 -0.109 0.000 1.114 546 R HN 0.266 nan 8.270 nan 0.000 0.550 547 L N 0.409 121.595 121.223 -0.062 0.000 2.329 547 L HA 0.367 4.707 4.340 -0.000 0.000 0.279 547 L C -0.199 176.663 176.870 -0.014 0.000 1.014 547 L CA -0.637 54.192 54.840 -0.019 0.000 0.814 547 L CB 2.142 44.196 42.059 -0.009 0.000 1.257 547 L HN 0.526 nan 8.230 nan 0.000 0.424 548 T N 4.142 118.705 114.554 0.016 0.000 2.770 548 T HA 0.552 4.902 4.350 -0.000 0.000 0.297 548 T C -0.090 174.640 174.700 0.050 0.000 0.997 548 T CA -0.171 61.950 62.100 0.035 0.000 0.949 548 T CB 0.460 69.346 68.868 0.030 0.000 0.941 548 T HN 0.266 nan 8.240 nan 0.000 0.457 549 I N 3.220 123.835 120.570 0.074 0.000 2.378 549 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 549 I C 0.249 176.482 176.117 0.192 0.000 0.992 549 I CA -0.656 60.700 61.300 0.093 0.000 1.154 549 I CB 1.794 39.762 38.000 -0.054 0.000 1.315 549 I HN 0.449 nan 8.210 nan 0.000 0.448 550 T N 4.216 118.864 114.554 0.157 0.000 2.771 550 T HA 0.130 4.480 4.350 -0.000 0.000 0.281 550 T C -0.282 174.531 174.700 0.188 0.000 0.982 550 T CA -0.420 61.769 62.100 0.148 0.000 0.978 550 T CB 1.115 70.034 68.868 0.085 0.000 0.930 550 T HN 0.436 nan 8.240 nan 0.000 0.447 551 D N 2.551 123.081 120.400 0.216 0.000 2.339 551 D HA 0.109 4.749 4.640 -0.000 0.000 0.256 551 D C 0.802 177.183 176.300 0.135 0.000 1.214 551 D CA -0.131 53.995 54.000 0.210 0.000 0.877 551 D CB 0.901 41.843 40.800 0.237 0.000 1.111 551 D HN 0.412 nan 8.370 nan 0.000 0.478 552 K N 2.527 123.002 120.400 0.125 0.000 2.432 552 K HA -0.090 4.229 4.320 -0.000 0.000 0.196 552 K C 1.373 178.004 176.600 0.052 0.000 1.038 552 K CA 0.636 56.965 56.287 0.071 0.000 0.986 552 K CB 0.479 33.006 32.500 0.046 0.000 0.782 552 K HN 0.371 nan 8.250 nan 0.000 0.485 553 Q N -0.527 119.319 119.800 0.077 0.000 2.200 553 Q HA -0.020 4.320 4.340 -0.000 0.000 0.197 553 Q C 2.075 178.107 176.000 0.054 0.000 0.953 553 Q CA 1.362 57.201 55.803 0.060 0.000 0.851 553 Q CB 0.463 29.251 28.738 0.082 0.000 0.938 553 Q HN 0.251 nan 8.270 nan 0.000 0.488 554 S N -1.828 113.914 115.700 0.070 0.000 2.470 554 S HA 0.212 4.682 4.470 -0.000 0.000 0.222 554 S C 1.609 176.232 174.600 0.038 0.000 1.024 554 S CA 0.614 58.847 58.200 0.056 0.000 0.931 554 S CB 0.460 63.705 63.200 0.075 0.000 0.791 554 S HN 0.485 nan 8.310 nan 0.000 0.513 555 G N 0.568 109.395 108.800 0.044 0.000 2.176 555 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.253 555 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.253 555 G C -0.145 174.756 174.900 0.002 0.000 0.979 555 G CA 0.185 45.298 45.100 0.023 0.000 0.641 555 G HN 0.488 nan 8.290 nan 0.000 0.530 556 L N 0.900 122.124 121.223 0.002 0.000 2.456 556 L HA 0.532 4.872 4.340 -0.000 0.000 0.272 556 L C 0.898 177.700 176.870 -0.114 0.000 1.189 556 L CA 0.425 55.210 54.840 -0.092 0.000 0.846 556 L CB 0.803 42.798 42.059 -0.107 0.000 1.111 556 L HN 0.223 nan 8.230 nan 0.000 0.475 557 I N 3.197 123.628 120.570 -0.233 0.000 2.433 557 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 557 I C -1.132 174.803 176.117 -0.304 0.000 1.001 557 I CA -0.617 60.594 61.300 -0.148 0.000 1.119 557 I CB 1.244 39.199 38.000 -0.076 0.000 1.289 557 I HN 0.360 nan 8.210 nan 0.000 0.438 558 Y N 4.757 125.103 120.300 0.077 0.000 2.345 558 Y HA 0.412 4.962 4.550 -0.000 0.000 0.331 558 Y C 0.035 175.957 175.900 0.037 0.000 0.959 558 Y CA -0.630 57.522 58.100 0.087 0.000 1.204 558 Y CB 1.256 39.796 38.460 0.134 0.000 1.135 558 Y HN 0.472 nan 8.280 nan 0.000 0.477 559 Q N 1.869 121.756 119.800 0.144 0.000 2.221 559 Q HA 0.226 4.566 4.340 -0.000 0.000 0.242 559 Q C -0.463 175.571 176.000 0.057 0.000 0.940 559 Q CA -0.677 55.167 55.803 0.068 0.000 0.896 559 Q CB 0.947 29.696 28.738 0.019 0.000 1.226 559 Q HN 0.658 nan 8.270 nan 0.000 0.463 560 D N 0.474 120.871 120.400 -0.005 0.000 2.772 560 D HA -0.184 4.456 4.640 -0.000 0.000 0.233 560 D C -0.711 175.520 176.300 -0.114 0.000 1.143 560 D CA 0.805 54.768 54.000 -0.062 0.000 0.700 560 D CB -1.232 39.534 40.800 -0.056 0.000 1.076 560 D HN 0.396 nan 8.370 nan 0.000 0.430 561 L N -0.372 120.782 121.223 -0.115 0.000 2.453 561 L HA 0.274 4.614 4.340 -0.000 0.000 0.261 561 L C 1.531 178.140 176.870 -0.435 0.000 1.179 561 L CA -0.685 54.016 54.840 -0.232 0.000 0.813 561 L CB 0.460 42.435 42.059 -0.139 0.000 1.110 561 L HN 0.170 nan 8.230 nan 0.000 0.466 562 L N 1.380 122.087 121.223 -0.859 0.000 3.472 562 L HA -0.192 4.148 4.340 -0.000 0.000 0.485 562 L C 0.079 176.400 176.870 -0.915 0.000 1.312 562 L CA 0.698 54.897 54.840 -1.067 0.000 0.869 562 L CB -0.699 40.940 42.059 -0.699 0.000 1.687 562 L HN 0.725 nan 8.230 nan 0.000 0.853 563 R N 0.730 120.743 120.500 -0.811 0.000 2.254 563 R HA 0.560 4.900 4.340 -0.000 0.000 0.318 563 R C -0.622 175.298 176.300 -0.632 0.000 1.031 563 R CA -0.478 55.289 56.100 -0.555 0.000 0.905 563 R CB 0.514 30.581 30.300 -0.388 0.000 1.050 563 R HN 0.193 nan 8.270 nan 0.000 0.456 564 F N 2.690 122.545 119.950 -0.159 0.000 2.410 564 F HA 0.277 4.804 4.527 -0.000 0.000 0.349 564 F C 0.478 176.277 175.800 -0.003 0.000 1.117 564 F CA -0.306 57.626 58.000 -0.114 0.000 1.104 564 F CB 1.397 40.303 39.000 -0.157 0.000 1.122 564 F HN 0.455 nan 8.300 nan 0.000 0.483 565 E N 2.963 123.278 120.200 0.192 0.000 2.218 565 E HA 0.214 4.564 4.350 -0.000 0.000 0.263 565 E C -1.925 174.763 176.600 0.147 0.000 0.879 565 E CA -0.655 55.844 56.400 0.165 0.000 0.762 565 E CB 1.534 31.333 29.700 0.165 0.000 1.166 565 E HN 0.701 nan 8.360 nan 0.000 0.415 566 D N 3.502 124.019 120.400 0.194 0.000 2.344 566 D HA 0.357 4.997 4.640 -0.000 0.000 0.239 566 D C -1.238 175.180 176.300 0.197 0.000 1.064 566 D CA -0.226 53.912 54.000 0.229 0.000 0.829 566 D CB 0.741 41.726 40.800 0.308 0.000 1.129 566 D HN 0.348 nan 8.370 nan 0.000 0.506 567 C N 2.669 122.056 119.300 0.146 0.000 2.719 567 C HA 0.880 5.339 4.460 -0.000 0.000 0.327 567 C C 0.998 176.074 174.990 0.143 0.000 1.238 567 C CA -0.857 58.240 59.018 0.131 0.000 1.727 567 C CB 1.368 29.152 27.740 0.073 0.000 2.256 567 C HN 0.741 nan 8.230 nan 0.000 0.489 568 G N 0.588 109.466 108.800 0.130 0.000 2.527 568 G HA2 0.447 4.407 3.960 -0.000 0.000 0.248 568 G HA3 0.447 4.407 3.960 -0.000 0.000 0.248 568 G C -1.035 173.924 174.900 0.098 0.000 1.231 568 G CA 0.420 45.589 45.100 0.114 0.000 0.838 568 G HN 0.749 nan 8.290 nan 0.000 0.570 569 D N 0.768 121.227 120.400 0.098 0.000 2.602 569 D HA 0.162 4.801 4.640 -0.000 0.000 0.245 569 D C 0.794 177.142 176.300 0.081 0.000 1.325 569 D CA -0.591 53.459 54.000 0.083 0.000 0.952 569 D CB 1.165 42.007 40.800 0.070 0.000 1.317 569 D HN 0.340 nan 8.370 nan 0.000 0.577 570 I N 1.033 121.646 120.570 0.071 0.000 3.889 570 I HA 0.519 4.689 4.170 -0.000 0.000 0.332 570 I C 0.800 176.955 176.117 0.064 0.000 1.493 570 I CA -0.641 60.694 61.300 0.060 0.000 1.158 570 I CB 0.796 38.819 38.000 0.039 0.000 1.117 570 I HN 0.182 nan 8.210 nan 0.000 0.411 571 G N 2.129 110.979 108.800 0.083 0.000 2.882 571 G HA2 0.451 4.411 3.960 -0.000 0.000 0.164 571 G HA3 0.451 4.411 3.960 -0.000 0.000 0.164 571 G C -0.486 174.490 174.900 0.126 0.000 1.429 571 G CA -0.118 45.042 45.100 0.100 0.000 1.059 571 G HN 0.551 nan 8.290 nan 0.000 0.581 572 N N -2.641 116.154 118.700 0.159 0.000 3.387 572 N HA 0.211 4.951 4.740 -0.000 0.000 0.322 572 N C 0.342 175.961 175.510 0.181 0.000 1.588 572 N CA -0.626 52.541 53.050 0.194 0.000 0.778 572 N CB 0.846 39.493 38.487 0.267 0.000 1.883 572 N HN 0.369 nan 8.380 nan 0.000 0.628 573 E N -1.428 118.873 120.200 0.168 0.000 2.338 573 E HA -0.093 4.257 4.350 -0.000 0.000 0.197 573 E C 0.351 176.961 176.600 0.017 0.000 1.007 573 E CA 1.085 57.513 56.400 0.047 0.000 0.849 573 E CB -0.291 29.395 29.700 -0.024 0.000 0.774 573 E HN 0.496 nan 8.360 nan 0.000 0.506 574 Y N -0.294 120.104 120.300 0.164 0.000 2.479 574 Y HA 0.226 4.776 4.550 -0.000 0.000 0.283 574 Y C 0.955 176.916 175.900 0.101 0.000 1.109 574 Y CA 0.210 58.396 58.100 0.142 0.000 1.239 574 Y CB 0.819 39.353 38.460 0.122 0.000 1.108 574 Y HN -0.151 nan 8.280 nan 0.000 0.548 575 I N -0.692 120.043 120.570 0.273 0.000 2.534 575 I HA 0.200 4.370 4.170 -0.000 0.000 0.288 575 I C -0.599 175.610 176.117 0.154 0.000 1.077 575 I CA -0.773 60.641 61.300 0.189 0.000 1.051 575 I CB 2.032 40.142 38.000 0.183 0.000 1.234 575 I HN -0.254 nan 8.210 nan 0.000 0.425 576 S N 4.909 120.681 115.700 0.121 0.000 2.513 576 S HA 0.576 5.046 4.470 -0.000 0.000 0.276 576 S C -0.423 174.269 174.600 0.154 0.000 1.254 576 S CA -0.319 57.944 58.200 0.105 0.000 1.053 576 S CB 0.525 63.760 63.200 0.057 0.000 0.958 576 S HN 0.574 nan 8.310 nan 0.000 0.491 577 R N 3.194 123.778 120.500 0.139 0.000 2.483 577 R HA 0.409 4.749 4.340 -0.000 0.000 0.303 577 R C -1.459 174.908 176.300 0.112 0.000 0.987 577 R CA -0.446 55.754 56.100 0.166 0.000 0.881 577 R CB 0.874 31.239 30.300 0.108 0.000 1.177 577 R HN 0.522 nan 8.270 nan 0.000 0.451 578 Q N 5.051 124.920 119.800 0.114 0.000 2.288 578 Q HA 0.381 4.721 4.340 -0.000 0.000 0.254 578 Q C -2.179 173.861 176.000 0.065 0.000 0.932 578 Q CA -1.799 54.053 55.803 0.082 0.000 0.902 578 Q CB 0.952 29.732 28.738 0.070 0.000 1.203 578 Q HN 0.473 nan 8.270 nan 0.000 0.415 579 P HA -0.086 nan 4.420 nan 0.000 0.269 579 P C -0.627 176.672 177.300 -0.002 0.000 1.217 579 P CA -0.090 63.027 63.100 0.028 0.000 0.783 579 P CB 0.520 32.248 31.700 0.046 0.000 0.898 580 N N 2.602 121.266 118.700 -0.061 0.000 2.412 580 N HA -0.085 4.655 4.740 -0.000 0.000 0.254 580 N C 0.612 176.021 175.510 -0.168 0.000 1.232 580 N CA 0.713 53.632 53.050 -0.219 0.000 0.880 580 N CB -0.370 37.923 38.487 -0.323 0.000 1.076 580 N HN 0.572 nan 8.380 nan 0.000 0.458 581 H N -2.186 116.901 119.070 0.029 0.000 3.080 581 H HA -0.194 4.362 4.556 -0.000 0.000 0.254 581 H C -0.357 174.979 175.328 0.014 0.000 1.179 581 H CA 0.611 56.670 56.048 0.018 0.000 1.144 581 H CB -1.592 28.178 29.762 0.013 0.000 1.261 581 H HN 0.604 nan 8.280 nan 0.000 0.333 582 D N 1.948 122.402 120.400 0.090 0.000 2.493 582 D HA 0.133 4.773 4.640 -0.000 0.000 0.240 582 D C 0.305 176.623 176.300 0.030 0.000 1.142 582 D CA 0.554 54.595 54.000 0.068 0.000 0.872 582 D CB 0.598 41.435 40.800 0.062 0.000 1.173 582 D HN 0.377 nan 8.370 nan 0.000 0.467 583 Q N 4.613 124.401 119.800 -0.020 0.000 2.333 583 Q HA 0.446 4.786 4.340 -0.000 0.000 0.268 583 Q C -2.163 173.696 176.000 -0.236 0.000 1.007 583 Q CA -1.958 53.772 55.803 -0.122 0.000 0.810 583 Q CB 1.802 30.434 28.738 -0.177 0.000 1.264 583 Q HN 0.371 nan 8.270 nan 0.000 0.452 584 P HA 0.038 nan 4.420 nan 0.000 0.270 584 P C -1.055 175.885 177.300 -0.601 0.000 1.223 584 P CA 0.059 62.948 63.100 -0.352 0.000 0.785 584 P CB 0.538 31.926 31.700 -0.520 0.000 0.923 585 F N 0.761 120.534 119.950 -0.296 0.000 2.420 585 F HA 0.334 4.861 4.527 -0.000 0.000 0.342 585 F C 0.295 175.997 175.800 -0.163 0.000 1.113 585 F CA -0.362 57.572 58.000 -0.111 0.000 1.059 585 F CB 0.922 40.005 39.000 0.138 0.000 1.128 585 F HN 0.185 nan 8.300 nan 0.000 0.475 586 Y N 1.283 121.699 120.300 0.194 0.000 2.341 586 Y HA 0.467 5.017 4.550 -0.000 0.000 0.337 586 Y C 0.907 176.581 175.900 -0.377 0.000 1.014 586 Y CA -1.092 56.970 58.100 -0.062 0.000 1.111 586 Y CB 1.658 40.079 38.460 -0.065 0.000 1.194 586 Y HN 0.720 nan 8.280 nan 0.000 0.462 587 A N 1.715 124.120 122.820 -0.691 0.000 1.972 587 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 587 A C 1.573 178.951 177.584 -0.344 0.000 1.169 587 A CA 1.978 53.331 52.037 -1.139 0.000 0.635 587 A CB -0.817 17.643 19.000 -0.901 0.000 0.810 587 A HN 0.945 nan 8.150 nan 0.000 0.446 588 D N -0.909 119.408 120.400 -0.138 0.000 2.348 588 D HA -0.130 4.510 4.640 -0.000 0.000 0.216 588 D C 1.509 177.800 176.300 -0.014 0.000 0.970 588 D CA 0.955 54.923 54.000 -0.055 0.000 0.889 588 D CB -0.273 40.488 40.800 -0.064 0.000 0.912 588 D HN 0.597 nan 8.370 nan 0.000 0.524 589 Q N 0.069 119.881 119.800 0.020 0.000 2.280 589 Q HA 0.252 4.592 4.340 -0.000 0.000 0.201 589 Q C 0.965 177.023 176.000 0.096 0.000 0.890 589 Q CA -0.068 55.776 55.803 0.069 0.000 0.947 589 Q CB 1.129 29.936 28.738 0.116 0.000 1.081 589 Q HN 0.393 nan 8.270 nan 0.000 0.502 590 G N 0.118 108.971 108.800 0.088 0.000 2.782 590 G HA2 0.246 4.206 3.960 -0.000 0.000 0.201 590 G HA3 0.246 4.206 3.960 -0.000 0.000 0.201 590 G C -0.487 174.464 174.900 0.086 0.000 1.374 590 G CA -0.319 44.861 45.100 0.134 0.000 1.039 590 G HN -0.037 nan 8.290 nan 0.000 0.576 591 T N 1.541 116.150 114.554 0.092 0.000 2.767 591 T HA 0.487 4.837 4.350 -0.000 0.000 0.288 591 T C -0.271 174.462 174.700 0.055 0.000 0.963 591 T CA -0.065 62.074 62.100 0.065 0.000 1.019 591 T CB 0.865 69.771 68.868 0.063 0.000 0.923 591 T HN 0.160 nan 8.240 nan 0.000 0.468 592 I N 2.817 123.412 120.570 0.042 0.000 2.441 592 I HA 0.691 4.861 4.170 -0.000 0.000 0.295 592 I C 0.334 176.473 176.117 0.037 0.000 0.994 592 I CA -1.076 60.245 61.300 0.036 0.000 1.144 592 I CB 0.643 38.662 38.000 0.032 0.000 1.314 592 I HN 0.662 nan 8.210 nan 0.000 0.445 593 K N 5.204 125.625 120.400 0.036 0.000 2.469 593 K HA 0.826 5.146 4.320 -0.000 0.000 0.254 593 K C -1.723 174.897 176.600 0.034 0.000 0.939 593 K CA -0.570 55.739 56.287 0.035 0.000 0.812 593 K CB 2.111 34.631 32.500 0.033 0.000 1.301 593 K HN 0.431 nan 8.250 nan 0.000 0.433 594 L N 1.527 122.772 121.223 0.036 0.000 2.346 594 L HA 0.641 4.981 4.340 -0.000 0.000 0.276 594 L C -0.557 176.326 176.870 0.020 0.000 1.006 594 L CA -0.664 54.194 54.840 0.030 0.000 0.817 594 L CB 2.170 44.261 42.059 0.053 0.000 1.272 594 L HN 0.915 nan 8.230 nan 0.000 0.421 595 N N 2.884 121.581 118.700 -0.006 0.000 2.430 595 N HA 0.480 5.220 4.740 -0.000 0.000 0.290 595 N C -1.329 174.151 175.510 -0.050 0.000 1.063 595 N CA -0.380 52.665 53.050 -0.010 0.000 0.883 595 N CB 1.308 39.795 38.487 -0.001 0.000 1.465 595 N HN 0.452 nan 8.380 nan 0.000 0.493 596 I N 4.817 125.363 120.570 -0.040 0.000 2.379 596 I HA 0.127 4.297 4.170 -0.000 0.000 0.290 596 I C 1.079 177.174 176.117 -0.036 0.000 1.063 596 I CA -0.419 60.838 61.300 -0.072 0.000 1.351 596 I CB 0.609 38.605 38.000 -0.006 0.000 1.410 596 I HN 0.551 nan 8.210 nan 0.000 0.505 597 I N 3.682 124.222 120.570 -0.050 0.000 2.429 597 I HA 0.002 4.172 4.170 -0.000 0.000 0.247 597 I C 1.047 177.155 176.117 -0.015 0.000 1.099 597 I CA 1.104 62.389 61.300 -0.026 0.000 1.422 597 I CB -0.550 37.433 38.000 -0.028 0.000 1.112 597 I HN 0.693 nan 8.210 nan 0.000 0.430 598 S N 0.571 116.259 115.700 -0.021 0.000 2.570 598 S HA 0.559 5.029 4.470 -0.000 0.000 0.270 598 S C -0.848 173.758 174.600 0.011 0.000 1.149 598 S CA -0.807 57.393 58.200 0.000 0.000 0.837 598 S CB 2.774 65.974 63.200 0.001 0.000 1.124 598 S HN 0.192 nan 8.310 nan 0.000 0.465 599 N N 0.843 119.565 118.700 0.037 0.000 2.747 599 N HA 0.457 5.196 4.740 -0.000 0.000 0.262 599 N C -0.965 174.581 175.510 0.061 0.000 1.261 599 N CA 0.228 53.319 53.050 0.068 0.000 0.809 599 N CB 1.635 40.194 38.487 0.119 0.000 1.450 599 N HN 1.056 nan 8.380 nan 0.000 0.560 600 T N -1.315 113.271 114.554 0.052 0.000 2.742 600 T HA 0.729 5.079 4.350 -0.000 0.000 0.282 600 T C 1.085 175.813 174.700 0.046 0.000 1.025 600 T CA -0.156 61.970 62.100 0.044 0.000 1.020 600 T CB 0.994 69.883 68.868 0.035 0.000 1.317 600 T HN 0.160 nan 8.240 nan 0.000 0.538 601 A N -0.268 122.575 122.820 0.038 0.000 2.121 601 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 601 A C 2.113 179.720 177.584 0.039 0.000 1.154 601 A CA 0.902 52.961 52.037 0.036 0.000 0.679 601 A CB -0.691 18.326 19.000 0.028 0.000 0.795 601 A HN 0.681 nan 8.150 nan 0.000 0.458 602 Q N -1.724 118.100 119.800 0.039 0.000 2.394 602 Q HA 0.299 4.639 4.340 -0.000 0.000 0.218 602 Q C -0.038 175.986 176.000 0.040 0.000 0.907 602 Q CA 0.729 56.556 55.803 0.041 0.000 0.919 602 Q CB 0.851 29.612 28.738 0.038 0.000 1.051 602 Q HN 0.383 nan 8.270 nan 0.000 0.538 603 V N -0.211 119.725 119.914 0.037 0.000 3.000 603 V HA 0.748 4.868 4.120 -0.000 0.000 0.300 603 V C -2.031 174.080 176.094 0.029 0.000 1.251 603 V CA -0.626 61.691 62.300 0.028 0.000 0.972 603 V CB 2.004 33.837 31.823 0.017 0.000 1.065 603 V HN 0.110 nan 8.190 nan 0.000 0.431 604 A N 4.645 127.479 122.820 0.023 0.000 2.371 604 A HA 0.929 5.249 4.320 -0.000 0.000 0.311 604 A C -0.826 176.738 177.584 -0.032 0.000 1.068 604 A CA -0.591 51.453 52.037 0.012 0.000 0.744 604 A CB 1.612 20.644 19.000 0.054 0.000 1.239 604 A HN 0.851 nan 8.150 nan 0.000 0.435 605 E N 1.805 121.971 120.200 -0.057 0.000 2.185 605 E HA 0.469 4.819 4.350 -0.000 0.000 0.261 605 E C -1.474 175.052 176.600 -0.123 0.000 0.879 605 E CA -0.545 55.811 56.400 -0.074 0.000 0.756 605 E CB 1.917 31.589 29.700 -0.047 0.000 1.152 605 E HN 0.405 nan 8.360 nan 0.000 0.416 606 L N 2.648 123.784 121.223 -0.145 0.000 2.346 606 L HA 0.411 4.751 4.340 -0.000 0.000 0.276 606 L C -0.238 176.585 176.870 -0.078 0.000 1.006 606 L CA -0.438 54.285 54.840 -0.195 0.000 0.817 606 L CB 1.786 43.657 42.059 -0.313 0.000 1.272 606 L HN 0.612 nan 8.230 nan 0.000 0.421 607 E N 4.091 124.256 120.200 -0.059 0.000 2.134 607 E HA 0.450 4.800 4.350 -0.000 0.000 0.278 607 E C -0.762 175.842 176.600 0.007 0.000 0.959 607 E CA -0.411 55.985 56.400 -0.007 0.000 0.783 607 E CB 2.175 31.874 29.700 -0.002 0.000 1.095 607 E HN 0.402 nan 8.360 nan 0.000 0.399 608 I N 3.120 123.713 120.570 0.039 0.000 2.321 608 I HA 0.157 4.326 4.170 -0.000 0.000 0.291 608 I C -0.033 176.101 176.117 0.028 0.000 0.998 608 I CA -0.403 60.925 61.300 0.046 0.000 1.227 608 I CB 1.210 39.260 38.000 0.083 0.000 1.368 608 I HN 0.362 nan 8.210 nan 0.000 0.466 609 Q N 6.242 126.055 119.800 0.022 0.000 2.316 609 Q HA 0.464 4.804 4.340 -0.000 0.000 0.264 609 Q C -1.506 174.504 176.000 0.017 0.000 0.987 609 Q CA -0.789 55.023 55.803 0.014 0.000 0.852 609 Q CB 1.877 30.630 28.738 0.025 0.000 1.287 609 Q HN 0.571 nan 8.270 nan 0.000 0.448 610 Q N 1.546 121.349 119.800 0.005 0.000 2.353 610 Q HA 0.491 4.831 4.340 -0.000 0.000 0.268 610 Q C -1.369 174.704 176.000 0.122 0.000 1.045 610 Q CA -0.470 55.351 55.803 0.031 0.000 0.811 610 Q CB 2.607 31.314 28.738 -0.052 0.000 1.305 610 Q HN 0.458 nan 8.270 nan 0.000 0.447 611 T N 3.177 117.824 114.554 0.155 0.000 2.786 611 T HA 0.732 5.082 4.350 -0.000 0.000 0.283 611 T C -1.050 173.840 174.700 0.318 0.000 0.992 611 T CA -0.624 61.598 62.100 0.203 0.000 0.954 611 T CB 0.013 68.943 68.868 0.103 0.000 0.934 611 T HN 0.515 nan 8.240 nan 0.000 0.440 612 F N 0.371 120.319 119.950 -0.004 0.000 2.601 612 F HA 0.861 5.388 4.527 -0.000 0.000 0.309 612 F C -0.471 175.311 175.800 -0.030 0.000 1.089 612 F CA -1.802 56.207 58.000 0.014 0.000 0.940 612 F CB 1.087 40.122 39.000 0.058 0.000 1.273 612 F HN 0.567 nan 8.300 nan 0.000 0.450 613 A N 4.130 126.893 122.820 -0.096 0.000 2.362 613 A HA 0.701 5.021 4.320 -0.000 0.000 0.276 613 A C -0.442 176.841 177.584 -0.501 0.000 1.153 613 A CA -0.528 51.356 52.037 -0.255 0.000 0.813 613 A CB 0.070 19.011 19.000 -0.098 0.000 1.081 613 A HN 0.963 nan 8.150 nan 0.000 0.507 614 I N -0.185 119.980 120.570 -0.675 0.000 2.785 614 I HA 0.662 4.832 4.170 -0.000 0.000 0.302 614 I C -2.955 172.758 176.117 -0.673 0.000 1.069 614 I CA -3.178 57.558 61.300 -0.941 0.000 1.045 614 I CB 2.297 39.764 38.000 -0.890 0.000 1.236 614 I HN 0.234 nan 8.210 nan 0.000 0.429 615 P HA 0.078 nan 4.420 nan 0.000 0.264 615 P C 0.906 178.000 177.300 -0.343 0.000 1.183 615 P CA 0.099 62.976 63.100 -0.371 0.000 0.763 615 P CB 0.454 31.997 31.700 -0.262 0.000 0.807 616 I N 0.759 121.185 120.570 -0.241 0.000 2.676 616 I HA -0.022 4.148 4.170 -0.000 0.000 0.259 616 I C 0.548 176.564 176.117 -0.168 0.000 1.194 616 I CA 0.735 61.909 61.300 -0.210 0.000 1.473 616 I CB -0.180 37.737 38.000 -0.138 0.000 1.096 616 I HN 0.311 nan 8.210 nan 0.000 0.443 617 S N -0.077 115.545 115.700 -0.131 0.000 2.703 617 S HA 0.792 5.261 4.470 -0.000 0.000 0.273 617 S C -0.438 174.137 174.600 -0.042 0.000 1.178 617 S CA -0.502 57.658 58.200 -0.067 0.000 0.838 617 S CB 0.781 63.960 63.200 -0.036 0.000 1.178 617 S HN 0.394 nan 8.310 nan 0.000 0.494 618 A N 0.765 123.583 122.820 -0.004 0.000 2.272 618 A HA 0.643 4.963 4.320 -0.000 0.000 0.275 618 A C 0.183 177.768 177.584 0.000 0.000 1.096 618 A CA 0.029 52.070 52.037 0.007 0.000 0.822 618 A CB -0.609 18.407 19.000 0.026 0.000 1.088 618 A HN 0.985 nan 8.150 nan 0.000 0.495 619 D N -0.241 120.161 120.400 0.004 0.000 2.393 619 D HA 0.108 4.748 4.640 -0.000 0.000 0.246 619 D C 0.585 176.883 176.300 -0.003 0.000 1.275 619 D CA -0.200 53.799 54.000 -0.000 0.000 0.979 619 D CB 0.393 41.195 40.800 0.004 0.000 1.101 619 D HN 0.433 nan 8.370 nan 0.000 0.505 620 K N -0.884 119.512 120.400 -0.007 0.000 2.288 620 K HA -0.052 4.268 4.320 -0.000 0.000 0.201 620 K C 1.786 178.375 176.600 -0.019 0.000 1.048 620 K CA 0.149 56.429 56.287 -0.012 0.000 0.956 620 K CB -0.309 32.183 32.500 -0.013 0.000 0.746 620 K HN 0.267 nan 8.250 nan 0.000 0.461 621 L N 1.732 122.945 121.223 -0.017 0.000 2.127 621 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 621 L C 2.070 178.922 176.870 -0.030 0.000 1.089 621 L CA 1.234 56.060 54.840 -0.024 0.000 0.757 621 L CB -0.607 41.441 42.059 -0.018 0.000 0.899 621 L HN 0.062 nan 8.230 nan 0.000 0.434 622 L N -0.479 120.733 121.223 -0.018 0.000 2.013 622 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 622 L C 2.571 179.420 176.870 -0.035 0.000 1.073 622 L CA 2.172 57.004 54.840 -0.014 0.000 0.753 622 L CB -0.940 41.125 42.059 0.010 0.000 0.890 622 L HN 0.473 nan 8.230 nan 0.000 0.432 623 Q N -0.352 119.426 119.800 -0.036 0.000 2.096 623 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 623 Q C 2.156 178.071 176.000 -0.142 0.000 0.982 623 Q CA 2.300 58.063 55.803 -0.067 0.000 0.850 623 Q CB -0.537 28.176 28.738 -0.041 0.000 0.901 623 Q HN 0.619 nan 8.270 nan 0.000 0.422 624 A N 0.172 122.926 122.820 -0.111 0.000 1.933 624 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 624 A C 1.925 179.421 177.584 -0.146 0.000 1.175 624 A CA 1.639 53.599 52.037 -0.128 0.000 0.628 624 A CB -0.538 18.411 19.000 -0.085 0.000 0.814 624 A HN 0.552 nan 8.150 nan 0.000 0.444 625 E N -0.646 119.487 120.200 -0.112 0.000 2.106 625 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 625 E C 2.076 178.601 176.600 -0.125 0.000 0.984 625 E CA 1.225 57.565 56.400 -0.099 0.000 0.806 625 E CB -0.242 29.420 29.700 -0.063 0.000 0.750 625 E HN 0.655 nan 8.360 nan 0.000 0.458 626 M N 0.421 119.929 119.600 -0.153 0.000 2.132 626 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 626 M C 1.992 177.998 176.300 -0.490 0.000 1.065 626 M CA 1.366 56.557 55.300 -0.182 0.000 1.122 626 M CB -0.209 32.353 32.600 -0.064 0.000 1.365 626 M HN 0.045 nan 8.290 nan 0.000 0.411 627 E N 0.516 120.304 120.200 -0.686 0.000 2.153 627 E HA -0.126 4.223 4.350 -0.000 0.000 0.194 627 E C 1.701 178.077 176.600 -0.373 0.000 0.988 627 E CA 1.164 57.095 56.400 -0.782 0.000 0.811 627 E CB -0.072 29.298 29.700 -0.550 0.000 0.746 627 E HN 0.478 nan 8.360 nan 0.000 0.466 628 A N 0.525 123.198 122.820 -0.245 0.000 2.251 628 A HA 0.136 4.456 4.320 -0.000 0.000 0.209 628 A C 0.920 178.438 177.584 -0.110 0.000 1.187 628 A CA -0.068 51.881 52.037 -0.147 0.000 0.823 628 A CB 0.134 19.066 19.000 -0.114 0.000 0.846 628 A HN 0.064 nan 8.150 nan 0.000 0.486 629 V N 0.384 120.230 119.914 -0.113 0.000 5.820 629 V HA -0.209 3.911 4.120 -0.000 0.000 0.300 629 V C -0.133 175.933 176.094 -0.047 0.000 0.585 629 V CA 0.424 62.690 62.300 -0.057 0.000 0.629 629 V CB -2.240 29.556 31.823 -0.045 0.000 0.291 629 V HN 0.489 nan 8.190 nan 0.000 0.887 630 I N 1.270 121.807 120.570 -0.055 0.000 2.471 630 I HA 0.229 4.399 4.170 -0.000 0.000 0.286 630 I C 0.935 177.027 176.117 -0.041 0.000 1.079 630 I CA -0.112 61.157 61.300 -0.053 0.000 1.398 630 I CB 0.699 38.662 38.000 -0.061 0.000 1.403 630 I HN 0.530 nan 8.210 nan 0.000 0.530 631 D N 4.488 124.860 120.400 -0.047 0.000 2.525 631 D HA -0.036 4.604 4.640 -0.000 0.000 0.235 631 D C 1.537 177.791 176.300 -0.077 0.000 1.137 631 D CA -0.096 53.879 54.000 -0.041 0.000 0.868 631 D CB 0.855 41.625 40.800 -0.050 0.000 1.180 631 D HN 0.479 nan 8.370 nan 0.000 0.465 632 I N 1.223 121.753 120.570 -0.067 0.000 2.315 632 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 632 I C 1.993 177.945 176.117 -0.274 0.000 1.125 632 I CA 1.854 63.083 61.300 -0.118 0.000 1.392 632 I CB -1.412 36.551 38.000 -0.062 0.000 1.065 632 I HN 0.527 nan 8.210 nan 0.000 0.424 633 T N -1.980 112.307 114.554 -0.445 0.000 3.035 633 T HA -0.004 4.346 4.350 -0.000 0.000 0.268 633 T C 1.495 175.982 174.700 -0.355 0.000 1.109 633 T CA 1.297 62.994 62.100 -0.672 0.000 1.119 633 T CB -0.550 67.753 68.868 -0.941 0.000 0.900 633 T HN 0.633 nan 8.240 nan 0.000 0.503 634 E N 0.251 120.317 120.200 -0.223 0.000 2.472 634 E HA 0.167 4.517 4.350 -0.000 0.000 0.196 634 E C 0.444 176.980 176.600 -0.107 0.000 1.033 634 E CA -0.358 55.956 56.400 -0.143 0.000 0.886 634 E CB 0.358 29.993 29.700 -0.109 0.000 0.944 634 E HN 0.479 nan 8.360 nan 0.000 0.492 635 R N 1.469 121.905 120.500 -0.107 0.000 2.489 635 R HA 0.068 4.408 4.340 -0.000 0.000 0.287 635 R C 0.962 177.228 176.300 -0.057 0.000 1.053 635 R CA 0.310 56.368 56.100 -0.070 0.000 1.036 635 R CB 0.503 30.770 30.300 -0.056 0.000 0.966 635 R HN 0.130 nan 8.270 nan 0.000 0.432 636 Q N 1.065 120.840 119.800 -0.040 0.000 2.319 636 Q HA 0.126 4.466 4.340 -0.000 0.000 0.209 636 Q C 0.270 176.264 176.000 -0.010 0.000 0.884 636 Q CA -0.020 55.767 55.803 -0.026 0.000 0.938 636 Q CB 0.912 29.637 28.738 -0.022 0.000 1.098 636 Q HN 0.668 nan 8.270 nan 0.000 0.517 637 A N 2.075 124.889 122.820 -0.011 0.000 2.561 637 A HA 0.135 4.455 4.320 -0.000 0.000 0.234 637 A C 0.275 177.868 177.584 0.015 0.000 1.055 637 A CA 0.402 52.440 52.037 0.001 0.000 0.756 637 A CB 0.258 19.259 19.000 0.001 0.000 0.986 637 A HN 0.177 nan 8.150 nan 0.000 0.505 638 R N 0.817 121.331 120.500 0.024 0.000 2.960 638 R HA 0.514 4.854 4.340 -0.000 0.000 0.249 638 R C -0.419 175.903 176.300 0.037 0.000 1.192 638 R CA -1.084 55.039 56.100 0.039 0.000 1.035 638 R CB 1.037 31.367 30.300 0.050 0.000 1.234 638 R HN 0.790 nan 8.270 nan 0.000 0.493 639 R N 0.690 121.220 120.500 0.049 0.000 2.679 639 R HA 0.127 4.467 4.340 -0.000 0.000 0.269 639 R C 0.253 176.562 176.300 0.016 0.000 1.076 639 R CA -0.200 55.919 56.100 0.033 0.000 1.160 639 R CB 0.528 30.861 30.300 0.054 0.000 1.054 639 R HN 0.706 nan 8.270 nan 0.000 0.507 640 S N 1.117 116.809 115.700 -0.015 0.000 2.584 640 S HA -0.022 4.448 4.470 -0.000 0.000 0.270 640 S C 0.964 175.554 174.600 -0.017 0.000 1.346 640 S CA -0.662 57.525 58.200 -0.021 0.000 1.018 640 S CB 1.089 64.263 63.200 -0.043 0.000 0.899 640 S HN 0.508 nan 8.310 nan 0.000 0.542 641 Q N 0.747 120.541 119.800 -0.010 0.000 2.083 641 Q HA 0.036 4.376 4.340 -0.000 0.000 0.198 641 Q C 0.689 176.675 176.000 -0.024 0.000 0.969 641 Q CA 1.004 56.806 55.803 -0.003 0.000 0.838 641 Q CB -0.482 28.257 28.738 0.001 0.000 0.900 641 Q HN 0.940 nan 8.270 nan 0.000 0.436 642 E N 1.506 121.682 120.200 -0.039 0.000 2.376 642 E HA 0.044 4.394 4.350 -0.000 0.000 0.266 642 E C -0.730 175.813 176.600 -0.096 0.000 1.009 642 E CA 0.249 56.616 56.400 -0.055 0.000 0.902 642 E CB 0.494 30.163 29.700 -0.051 0.000 0.972 642 E HN -0.037 nan 8.360 nan 0.000 0.439 643 K N 1.771 122.108 120.400 -0.105 0.000 2.281 643 K HA 0.753 5.073 4.320 -0.000 0.000 0.242 643 K C -1.159 175.348 176.600 -0.154 0.000 0.971 643 K CA -0.976 55.210 56.287 -0.168 0.000 0.834 643 K CB 2.112 34.509 32.500 -0.171 0.000 1.181 643 K HN 0.496 nan 8.250 nan 0.000 0.435 644 A N 1.185 123.882 122.820 -0.205 0.000 2.556 644 A HA 0.367 4.687 4.320 -0.000 0.000 0.294 644 A C -1.281 176.176 177.584 -0.211 0.000 1.091 644 A CA -0.772 51.164 52.037 -0.168 0.000 0.704 644 A CB 1.046 19.959 19.000 -0.145 0.000 1.300 644 A HN 0.725 nan 8.150 nan 0.000 0.406 645 E N 0.271 120.381 120.200 -0.150 0.000 2.290 645 E HA 0.304 4.654 4.350 -0.000 0.000 0.277 645 E C -1.130 175.366 176.600 -0.173 0.000 1.035 645 E CA -0.187 56.122 56.400 -0.152 0.000 0.873 645 E CB 1.140 30.799 29.700 -0.068 0.000 1.029 645 E HN 0.411 nan 8.360 nan 0.000 0.419 646 L N 3.239 124.300 121.223 -0.270 0.000 2.313 646 L HA 0.308 4.647 4.340 -0.000 0.000 0.283 646 L C -0.700 176.143 176.870 -0.045 0.000 1.013 646 L CA -0.078 54.631 54.840 -0.218 0.000 0.816 646 L CB 1.867 43.667 42.059 -0.433 0.000 1.236 646 L HN 0.316 nan 8.230 nan 0.000 0.419 647 T N 6.509 121.085 114.554 0.036 0.000 2.756 647 T HA 0.547 4.897 4.350 -0.000 0.000 0.290 647 T C -0.186 174.581 174.700 0.112 0.000 0.985 647 T CA -0.282 61.872 62.100 0.090 0.000 0.955 647 T CB 0.403 69.312 68.868 0.069 0.000 0.930 647 T HN 0.417 nan 8.240 nan 0.000 0.451 648 L N 3.123 124.393 121.223 0.079 0.000 2.322 648 L HA 0.625 4.965 4.340 -0.000 0.000 0.279 648 L C 0.284 177.145 176.870 -0.016 0.000 1.036 648 L CA -0.756 54.089 54.840 0.008 0.000 0.807 648 L CB 1.401 43.316 42.059 -0.240 0.000 1.226 648 L HN 0.529 nan 8.230 nan 0.000 0.433 649 T N 0.546 115.115 114.554 0.024 0.000 2.881 649 T HA 0.362 4.712 4.350 -0.000 0.000 0.291 649 T C -0.371 174.349 174.700 0.033 0.000 0.990 649 T CA -0.463 61.649 62.100 0.020 0.000 0.976 649 T CB 1.592 70.486 68.868 0.042 0.000 0.970 649 T HN 0.472 nan 8.240 nan 0.000 0.438 650 T N 3.832 118.408 114.554 0.037 0.000 2.772 650 T HA 0.474 4.824 4.350 -0.000 0.000 0.288 650 T C -0.263 174.511 174.700 0.123 0.000 0.994 650 T CA -0.541 61.631 62.100 0.121 0.000 0.951 650 T CB 0.770 69.768 68.868 0.216 0.000 0.933 650 T HN 0.435 nan 8.240 nan 0.000 0.447 651 L N 5.410 126.695 121.223 0.104 0.000 2.281 651 L HA 0.558 4.898 4.340 -0.000 0.000 0.285 651 L C -0.773 176.144 176.870 0.079 0.000 1.074 651 L CA -0.526 54.351 54.840 0.061 0.000 0.817 651 L CB 0.217 42.287 42.059 0.020 0.000 1.168 651 L HN 0.617 nan 8.230 nan 0.000 0.434 652 I N 5.899 126.504 120.570 0.058 0.000 2.312 652 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 652 I C 0.013 176.074 176.117 -0.093 0.000 1.008 652 I CA -0.374 60.921 61.300 -0.009 0.000 1.226 652 I CB 1.159 39.202 38.000 0.072 0.000 1.371 652 I HN 0.582 nan 8.210 nan 0.000 0.468 653 R N 7.852 128.256 120.500 -0.161 0.000 2.310 653 R HA 0.546 4.886 4.340 -0.000 0.000 0.324 653 R C -0.964 175.261 176.300 -0.125 0.000 0.955 653 R CA -0.604 55.426 56.100 -0.117 0.000 0.830 653 R CB 1.300 31.541 30.300 -0.098 0.000 1.154 653 R HN 0.672 nan 8.270 nan 0.000 0.458 654 M N 3.796 123.356 119.600 -0.066 0.000 2.336 654 M HA 0.334 4.814 4.480 -0.000 0.000 0.342 654 M C -1.166 175.135 176.300 0.001 0.000 1.128 654 M CA -0.191 55.092 55.300 -0.028 0.000 1.016 654 M CB 1.520 34.129 32.600 0.015 0.000 1.665 654 M HN 0.569 nan 8.290 nan 0.000 0.445 655 E N 2.985 123.194 120.200 0.015 0.000 2.212 655 E HA 0.213 4.563 4.350 -0.000 0.000 0.268 655 E C -0.131 176.514 176.600 0.076 0.000 0.902 655 E CA -0.592 55.830 56.400 0.037 0.000 0.779 655 E CB 2.406 32.122 29.700 0.026 0.000 1.172 655 E HN 0.711 nan 8.360 nan 0.000 0.409 656 K N 2.153 122.599 120.400 0.076 0.000 2.032 656 K HA -0.217 4.103 4.320 -0.000 0.000 0.218 656 K C 0.539 177.228 176.600 0.148 0.000 1.054 656 K CA 1.672 58.013 56.287 0.091 0.000 0.941 656 K CB 0.056 32.595 32.500 0.065 0.000 0.720 656 K HN 0.355 nan 8.250 nan 0.000 0.449 657 N N 1.165 119.958 118.700 0.156 0.000 2.376 657 N HA 0.011 4.751 4.740 -0.000 0.000 0.249 657 N C -0.921 174.746 175.510 0.262 0.000 1.140 657 N CA 0.020 53.219 53.050 0.249 0.000 0.870 657 N CB 0.323 38.908 38.487 0.163 0.000 1.124 657 N HN 0.177 nan 8.380 nan 0.000 0.505 658 N N 1.071 119.879 118.700 0.180 0.000 2.448 658 N HA 0.278 5.018 4.740 -0.000 0.000 0.279 658 N C -1.995 173.388 175.510 -0.211 0.000 1.025 658 N CA -1.832 51.188 53.050 -0.048 0.000 0.898 658 N CB 2.341 40.812 38.487 -0.026 0.000 1.303 658 N HN -0.081 nan 8.380 nan 0.000 0.495 659 P HA 0.001 nan 4.420 nan 0.000 0.231 659 P C 0.032 177.140 177.300 -0.321 0.000 1.168 659 P CA 0.422 63.056 63.100 -0.776 0.000 0.779 659 P CB 0.704 31.713 31.700 -1.150 0.000 0.844 660 R N 0.566 120.906 120.500 -0.268 0.000 2.221 660 R HA 0.346 4.686 4.340 -0.000 0.000 0.327 660 R C -0.632 175.591 176.300 -0.127 0.000 1.033 660 R CA -0.760 55.229 56.100 -0.185 0.000 0.887 660 R CB 0.142 30.325 30.300 -0.195 0.000 1.057 660 R HN -0.046 nan 8.270 nan 0.000 0.455 661 L N 4.033 125.199 121.223 -0.096 0.000 2.276 661 L HA 0.233 4.572 4.340 -0.000 0.000 0.286 661 L C -0.624 175.959 176.870 -0.478 0.000 1.061 661 L CA 0.334 55.031 54.840 -0.239 0.000 0.807 661 L CB 1.515 43.464 42.059 -0.183 0.000 1.177 661 L HN 0.612 nan 8.230 nan 0.000 0.429 662 Q N 4.497 123.997 119.800 -0.500 0.000 2.271 662 Q HA 0.485 4.825 4.340 -0.000 0.000 0.258 662 Q C -1.501 174.116 176.000 -0.639 0.000 0.936 662 Q CA -0.333 55.202 55.803 -0.446 0.000 0.909 662 Q CB 1.719 30.332 28.738 -0.210 0.000 1.253 662 Q HN 0.451 nan 8.270 nan 0.000 0.440 663 F N 0.269 120.079 119.950 -0.233 0.000 2.508 663 F HA 0.495 5.022 4.527 -0.000 0.000 0.325 663 F C 0.147 175.719 175.800 -0.379 0.000 1.090 663 F CA -0.733 57.041 58.000 -0.376 0.000 0.945 663 F CB 2.226 40.762 39.000 -0.774 0.000 1.156 663 F HN 0.230 nan 8.300 nan 0.000 0.463 664 T N 1.123 115.682 114.554 0.009 0.000 2.890 664 T HA 0.380 4.730 4.350 -0.000 0.000 0.295 664 T C -0.614 174.172 174.700 0.144 0.000 0.993 664 T CA -0.674 61.456 62.100 0.049 0.000 0.979 664 T CB 1.225 70.103 68.868 0.017 0.000 0.967 664 T HN 0.477 nan 8.240 nan 0.000 0.441 665 T N 4.874 119.589 114.554 0.269 0.000 2.749 665 T HA 0.546 4.896 4.350 -0.000 0.000 0.287 665 T C 0.202 175.041 174.700 0.232 0.000 0.970 665 T CA -0.851 61.429 62.100 0.300 0.000 0.980 665 T CB 0.561 69.721 68.868 0.486 0.000 0.924 665 T HN 0.642 nan 8.240 nan 0.000 0.456 666 R N 2.171 122.772 120.500 0.169 0.000 2.803 666 R HA 0.870 5.210 4.340 -0.000 0.000 0.276 666 R C -1.229 175.182 176.300 0.185 0.000 0.978 666 R CA -0.956 55.167 56.100 0.039 0.000 0.939 666 R CB 1.585 31.882 30.300 -0.005 0.000 1.179 666 R HN 0.588 nan 8.270 nan 0.000 0.472 667 F N -1.915 118.081 119.950 0.076 0.000 2.799 667 F HA 0.354 4.881 4.527 -0.000 0.000 0.316 667 F C -1.958 173.896 175.800 0.089 0.000 1.155 667 F CA -1.408 56.634 58.000 0.069 0.000 0.916 667 F CB 1.122 40.165 39.000 0.073 0.000 1.294 667 F HN 0.454 nan 8.300 nan 0.000 0.447 668 D N 1.792 122.366 120.400 0.291 0.000 2.392 668 D HA 0.209 4.849 4.640 -0.000 0.000 0.228 668 D C -1.146 175.354 176.300 0.332 0.000 1.074 668 D CA -0.174 53.943 54.000 0.195 0.000 0.838 668 D CB 0.919 41.772 40.800 0.089 0.000 1.067 668 D HN 0.674 nan 8.370 nan 0.000 0.511 669 N N 2.974 121.938 118.700 0.440 0.000 2.420 669 N HA 0.040 4.780 4.740 -0.000 0.000 0.262 669 N C -0.189 175.454 175.510 0.223 0.000 1.144 669 N CA 0.162 53.463 53.050 0.420 0.000 0.952 669 N CB 0.576 39.394 38.487 0.552 0.000 1.081 669 N HN 0.235 nan 8.380 nan 0.000 0.480 670 Q N 2.819 122.696 119.800 0.128 0.000 2.115 670 Q HA 0.258 4.598 4.340 -0.000 0.000 0.249 670 Q C -0.910 175.087 176.000 -0.004 0.000 0.830 670 Q CA -0.067 55.769 55.803 0.056 0.000 1.104 670 Q CB 0.186 28.937 28.738 0.022 0.000 1.207 670 Q HN 0.635 nan 8.270 nan 0.000 0.464 671 M N 0.177 119.775 119.600 -0.004 0.000 2.530 671 M HA 0.431 4.911 4.480 -0.000 0.000 0.307 671 M C -0.030 176.275 176.300 0.008 0.000 1.161 671 M CA -0.420 54.786 55.300 -0.157 0.000 0.903 671 M CB 2.195 34.476 32.600 -0.530 0.000 1.711 671 M HN -0.035 nan 8.290 nan 0.000 0.451 672 T N -1.942 112.614 114.554 0.002 0.000 2.932 672 T HA 0.665 5.015 4.350 -0.000 0.000 0.289 672 T C -0.195 174.601 174.700 0.159 0.000 1.039 672 T CA -0.929 61.250 62.100 0.132 0.000 1.024 672 T CB 0.792 69.706 68.868 0.077 0.000 1.090 672 T HN 0.771 nan 8.240 nan 0.000 0.496 673 N N 1.201 120.013 118.700 0.187 0.000 2.696 673 N HA -0.174 4.566 4.740 -0.000 0.000 0.256 673 N C -0.557 175.076 175.510 0.205 0.000 1.031 673 N CA 1.398 54.538 53.050 0.151 0.000 0.730 673 N CB -1.694 36.850 38.487 0.094 0.000 0.894 673 N HN 1.120 nan 8.380 nan 0.000 0.544 674 H N -2.372 116.708 119.070 0.016 0.000 2.990 674 H HA 0.715 5.271 4.556 -0.000 0.000 0.336 674 H C -0.851 174.485 175.328 0.014 0.000 1.306 674 H CA -1.395 54.656 56.048 0.005 0.000 1.118 674 H CB 1.472 31.213 29.762 -0.034 0.000 1.856 674 H HN 0.159 nan 8.280 nan 0.000 0.538 675 R N 1.774 122.219 120.500 -0.090 0.000 2.574 675 R HA 0.490 4.830 4.340 -0.000 0.000 0.288 675 R C -2.049 174.204 176.300 -0.079 0.000 1.004 675 R CA -1.091 54.931 56.100 -0.131 0.000 0.895 675 R CB 1.918 32.200 30.300 -0.031 0.000 1.191 675 R HN 0.630 nan 8.270 nan 0.000 0.444 676 L N 4.234 125.392 121.223 -0.108 0.000 2.313 676 L HA 0.587 4.926 4.340 -0.000 0.000 0.283 676 L C -0.925 175.955 176.870 0.018 0.000 1.013 676 L CA -0.186 54.643 54.840 -0.018 0.000 0.816 676 L CB 1.369 43.373 42.059 -0.091 0.000 1.236 676 L HN 0.647 nan 8.230 nan 0.000 0.419 677 R N 3.239 123.766 120.500 0.044 0.000 2.854 677 R HA 0.744 5.084 4.340 -0.000 0.000 0.271 677 R C -1.621 174.659 176.300 -0.035 0.000 0.994 677 R CA -1.089 55.014 56.100 0.004 0.000 0.945 677 R CB 2.462 32.752 30.300 -0.016 0.000 1.194 677 R HN 0.434 nan 8.270 nan 0.000 0.476 678 V N 3.815 123.624 119.914 -0.175 0.000 2.459 678 V HA 0.522 4.642 4.120 -0.000 0.000 0.295 678 V C -0.977 174.848 176.094 -0.448 0.000 1.029 678 V CA -0.672 61.331 62.300 -0.495 0.000 0.874 678 V CB 1.403 32.812 31.823 -0.690 0.000 0.985 678 V HN 0.506 nan 8.190 nan 0.000 0.438 679 L N 6.594 127.460 121.223 -0.596 0.000 2.334 679 L HA 0.624 4.964 4.340 -0.000 0.000 0.276 679 L C -1.266 175.230 176.870 -0.623 0.000 1.014 679 L CA -0.424 54.180 54.840 -0.394 0.000 0.815 679 L CB 1.934 43.840 42.059 -0.254 0.000 1.268 679 L HN 0.565 nan 8.230 nan 0.000 0.428 680 F N 2.973 122.831 119.950 -0.153 0.000 2.564 680 F HA 0.321 4.848 4.527 -0.000 0.000 0.368 680 F C -2.162 173.586 175.800 -0.087 0.000 1.127 680 F CA -1.985 55.952 58.000 -0.105 0.000 1.170 680 F CB 1.227 40.209 39.000 -0.030 0.000 1.397 680 F HN 0.198 nan 8.300 nan 0.000 0.493 681 P HA 0.082 nan 4.420 nan 0.000 0.271 681 P C 0.652 177.979 177.300 0.044 0.000 1.226 681 P CA 0.109 63.166 63.100 -0.072 0.000 0.765 681 P CB 1.470 33.100 31.700 -0.118 0.000 0.835 682 T N -1.327 113.228 114.554 0.001 0.000 3.000 682 T HA -0.021 4.329 4.350 -0.000 0.000 0.248 682 T C 0.904 175.797 174.700 0.322 0.000 1.034 682 T CA 0.148 62.401 62.100 0.256 0.000 1.060 682 T CB -0.831 68.140 68.868 0.171 0.000 0.983 682 T HN 0.505 nan 8.240 nan 0.000 0.482 683 H N 1.078 120.235 119.070 0.145 0.000 2.884 683 H HA -0.110 4.446 4.556 -0.000 0.000 0.289 683 H C -0.183 175.193 175.328 0.080 0.000 1.142 683 H CA 0.677 56.776 56.048 0.085 0.000 1.158 683 H CB -2.264 27.530 29.762 0.054 0.000 1.325 683 H HN 0.448 nan 8.280 nan 0.000 0.366 684 L N 0.880 122.201 121.223 0.164 0.000 2.426 684 L HA 0.075 4.415 4.340 -0.000 0.000 0.271 684 L C 1.155 178.069 176.870 0.073 0.000 1.169 684 L CA 0.032 54.944 54.840 0.121 0.000 0.836 684 L CB 0.463 42.594 42.059 0.120 0.000 1.112 684 L HN -0.028 nan 8.230 nan 0.000 0.465 685 K N 2.339 122.766 120.400 0.045 0.000 2.183 685 K HA 0.282 4.601 4.320 -0.000 0.000 0.272 685 K C -0.649 175.969 176.600 0.030 0.000 1.113 685 K CA 0.059 56.367 56.287 0.034 0.000 0.949 685 K CB 0.325 32.836 32.500 0.018 0.000 1.365 685 K HN 0.580 nan 8.250 nan 0.000 0.420 686 T N 1.977 116.562 114.554 0.053 0.000 2.977 686 T HA 0.217 4.567 4.350 -0.000 0.000 0.345 686 T C -0.874 173.876 174.700 0.084 0.000 1.562 686 T CA -0.722 61.425 62.100 0.079 0.000 1.090 686 T CB 0.833 69.755 68.868 0.091 0.000 1.383 686 T HN 0.472 nan 8.240 nan 0.000 0.484 687 D N 1.598 122.053 120.400 0.092 0.000 2.349 687 D HA 0.216 4.856 4.640 -0.000 0.000 0.214 687 D C 0.120 176.267 176.300 -0.255 0.000 1.063 687 D CA 0.484 54.464 54.000 -0.033 0.000 0.847 687 D CB 0.314 41.063 40.800 -0.085 0.000 0.933 687 D HN 0.570 nan 8.370 nan 0.000 0.513 688 H N -0.874 118.265 119.070 0.115 0.000 2.908 688 H HA 0.431 4.987 4.556 -0.000 0.000 0.350 688 H C 0.168 175.595 175.328 0.165 0.000 1.217 688 H CA -0.834 55.279 56.048 0.109 0.000 1.168 688 H CB 1.690 31.483 29.762 0.053 0.000 1.891 688 H HN -0.036 nan 8.280 nan 0.000 0.566 689 H N -0.655 118.521 119.070 0.176 0.000 2.966 689 H HA 0.514 5.070 4.556 -0.000 0.000 0.330 689 H C -1.716 173.657 175.328 0.075 0.000 1.292 689 H CA -1.069 55.036 56.048 0.094 0.000 1.127 689 H CB 0.937 30.716 29.762 0.028 0.000 1.863 689 H HN 0.403 nan 8.280 nan 0.000 0.543 690 L N 1.260 122.524 121.223 0.068 0.000 2.381 690 L HA 0.699 5.038 4.340 -0.000 0.000 0.274 690 L C -0.329 176.503 176.870 -0.063 0.000 0.988 690 L CA -0.866 53.960 54.840 -0.024 0.000 0.824 690 L CB 1.818 43.892 42.059 0.025 0.000 1.263 690 L HN 0.837 nan 8.230 nan 0.000 0.410 691 A N 1.447 124.186 122.820 -0.135 0.000 2.350 691 A HA 0.502 4.822 4.320 -0.000 0.000 0.324 691 A C -1.002 176.335 177.584 -0.412 0.000 1.118 691 A CA -0.568 51.314 52.037 -0.258 0.000 0.783 691 A CB 1.352 20.311 19.000 -0.068 0.000 1.236 691 A HN 0.662 nan 8.150 nan 0.000 0.457 692 D N 1.382 121.277 120.400 -0.842 0.000 2.346 692 D HA 0.398 5.037 4.640 -0.000 0.000 0.260 692 D C 0.353 176.435 176.300 -0.363 0.000 1.252 692 D CA 1.137 54.598 54.000 -0.899 0.000 0.895 692 D CB 0.589 40.521 40.800 -1.447 0.000 1.097 692 D HN 0.406 nan 8.370 nan 0.000 0.489 693 S N 2.922 118.505 115.700 -0.195 0.000 2.837 693 S HA 0.515 4.985 4.470 -0.000 0.000 0.314 693 S C -0.424 174.110 174.600 -0.111 0.000 1.098 693 S CA -0.880 57.282 58.200 -0.063 0.000 0.903 693 S CB 0.466 63.686 63.200 0.033 0.000 1.310 693 S HN 0.308 nan 8.310 nan 0.000 0.581 694 I N 3.227 123.755 120.570 -0.070 0.000 2.483 694 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 694 I C -0.110 175.880 176.117 -0.211 0.000 1.112 694 I CA 0.527 61.703 61.300 -0.207 0.000 1.350 694 I CB -1.685 36.232 38.000 -0.137 0.000 1.419 694 I HN 0.715 nan 8.210 nan 0.000 0.523 695 F N 3.547 123.217 119.950 -0.467 0.000 3.097 695 F HA -0.287 4.240 4.527 -0.000 0.000 0.278 695 F C 0.753 176.154 175.800 -0.665 0.000 0.917 695 F CA 1.131 58.544 58.000 -0.978 0.000 0.962 695 F CB -1.565 37.068 39.000 -0.612 0.000 0.964 695 F HN 0.720 nan 8.300 nan 0.000 0.668 696 E N -2.795 117.299 120.200 -0.177 0.000 2.378 696 E HA 0.498 4.848 4.350 -0.000 0.000 0.283 696 E C -0.941 175.741 176.600 0.136 0.000 0.979 696 E CA -1.070 55.394 56.400 0.107 0.000 0.795 696 E CB 1.403 31.146 29.700 0.071 0.000 1.221 696 E HN -0.076 nan 8.360 nan 0.000 0.428 697 T N 2.101 116.791 114.554 0.226 0.000 2.997 697 T HA 0.214 4.564 4.350 -0.000 0.000 0.311 697 T C -0.236 174.513 174.700 0.081 0.000 1.079 697 T CA -0.453 61.728 62.100 0.135 0.000 0.982 697 T CB 0.465 69.483 68.868 0.249 0.000 1.032 697 T HN 0.381 nan 8.240 nan 0.000 0.581 698 V N 4.113 124.035 119.914 0.013 0.000 2.583 698 V HA 0.343 4.463 4.120 -0.000 0.000 0.287 698 V C 0.358 176.432 176.094 -0.033 0.000 1.051 698 V CA -0.617 61.689 62.300 0.011 0.000 1.010 698 V CB 0.988 32.818 31.823 0.012 0.000 0.988 698 V HN 0.709 nan 8.190 nan 0.000 0.478 699 K N 6.860 127.248 120.400 -0.019 0.000 2.234 699 K HA 0.548 4.868 4.320 -0.000 0.000 0.282 699 K C -0.455 176.098 176.600 -0.079 0.000 1.039 699 K CA -0.474 55.778 56.287 -0.058 0.000 0.928 699 K CB 0.618 33.099 32.500 -0.031 0.000 1.039 699 K HN 0.763 nan 8.250 nan 0.000 0.470 700 R N 3.845 124.216 120.500 -0.214 0.000 2.771 700 R HA 0.411 4.751 4.340 -0.000 0.000 0.274 700 R C -2.593 173.677 176.300 -0.050 0.000 0.987 700 R CA -2.138 53.851 56.100 -0.186 0.000 0.908 700 R CB 1.975 32.072 30.300 -0.337 0.000 1.213 700 R HN 0.537 nan 8.270 nan 0.000 0.468 701 P HA 0.075 nan 4.420 nan 0.000 0.274 701 P C -0.604 176.733 177.300 0.061 0.000 1.231 701 P CA -0.296 62.792 63.100 -0.020 0.000 0.790 701 P CB 0.805 32.492 31.700 -0.022 0.000 0.951 702 N N -0.009 118.694 118.700 0.005 0.000 2.409 702 N HA -0.053 4.687 4.740 -0.000 0.000 0.179 702 N C 0.054 175.387 175.510 -0.294 0.000 1.032 702 N CA 0.963 53.969 53.050 -0.072 0.000 0.898 702 N CB -0.543 37.859 38.487 -0.143 0.000 0.971 702 N HN 0.592 nan 8.380 nan 0.000 0.441 703 H N 0.014 119.010 119.070 -0.125 0.000 2.459 703 H HA 0.356 4.912 4.556 -0.000 0.000 0.332 703 H C -1.898 173.291 175.328 -0.231 0.000 1.094 703 H CA -1.679 54.274 56.048 -0.157 0.000 1.224 703 H CB 1.193 30.887 29.762 -0.114 0.000 1.449 703 H HN 0.036 nan 8.280 nan 0.000 0.484 704 P HA -0.034 nan 4.420 nan 0.000 0.274 704 P C -0.154 177.031 177.300 -0.193 0.000 1.260 704 P CA -0.424 62.353 63.100 -0.539 0.000 0.793 704 P CB 0.883 31.719 31.700 -1.440 0.000 1.048 705 D N 0.066 120.425 120.400 -0.068 0.000 2.342 705 D HA 0.137 4.777 4.640 -0.000 0.000 0.260 705 D C 1.167 177.595 176.300 0.212 0.000 1.278 705 D CA -0.017 54.070 54.000 0.145 0.000 0.910 705 D CB 0.516 41.498 40.800 0.303 0.000 1.079 705 D HN 0.289 nan 8.370 nan 0.000 0.496 706 A N 3.335 126.226 122.820 0.118 0.000 2.172 706 A HA -0.114 4.205 4.320 -0.000 0.000 0.216 706 A C 2.050 179.666 177.584 0.055 0.000 1.154 706 A CA 1.153 53.250 52.037 0.099 0.000 0.701 706 A CB -0.174 18.849 19.000 0.039 0.000 0.789 706 A HN 0.606 nan 8.150 nan 0.000 0.465 707 T N -1.002 113.555 114.554 0.004 0.000 2.821 707 T HA -0.044 4.306 4.350 -0.000 0.000 0.267 707 T C 1.172 175.647 174.700 -0.374 0.000 1.046 707 T CA 1.664 63.610 62.100 -0.257 0.000 1.139 707 T CB -0.308 68.287 68.868 -0.455 0.000 0.871 707 T HN 0.546 nan 8.240 nan 0.000 0.454 708 F N -1.689 118.348 119.950 0.145 0.000 2.637 708 F HA 0.348 4.875 4.527 -0.000 0.000 0.284 708 F C 0.789 176.687 175.800 0.164 0.000 1.105 708 F CA -1.271 56.817 58.000 0.147 0.000 1.356 708 F CB 0.256 39.354 39.000 0.164 0.000 1.096 708 F HN 0.142 nan 8.300 nan 0.000 0.616 709 W N 3.416 124.815 121.300 0.164 0.000 2.311 709 W HA 0.165 4.825 4.660 -0.000 0.000 0.310 709 W C 0.414 176.932 176.519 -0.002 0.000 1.274 709 W CA -0.041 57.337 57.345 0.055 0.000 1.215 709 W CB 0.911 30.383 29.460 0.018 0.000 1.227 709 W HN -0.061 nan 8.180 nan 0.000 0.523 710 K N 3.117 123.359 120.400 -0.264 0.000 2.424 710 K HA -0.023 4.297 4.320 -0.000 0.000 0.198 710 K C 0.474 176.871 176.600 -0.339 0.000 1.190 710 K CA 0.021 56.224 56.287 -0.139 0.000 0.935 710 K CB -0.426 32.088 32.500 0.023 0.000 1.087 710 K HN 0.348 nan 8.250 nan 0.000 0.524 711 N N 4.228 122.319 118.700 -1.016 0.000 2.411 711 N HA -0.023 4.717 4.740 -0.000 0.000 0.265 711 N C -1.740 173.514 175.510 -0.427 0.000 1.266 711 N CA -1.024 51.214 53.050 -1.353 0.000 0.889 711 N CB 1.074 38.530 38.487 -1.719 0.000 1.069 711 N HN -0.082 nan 8.380 nan 0.000 0.476 712 P HA -0.041 nan 4.420 nan 0.000 0.225 712 P C -0.346 176.937 177.300 -0.029 0.000 1.148 712 P CA 0.816 63.881 63.100 -0.058 0.000 0.779 712 P CB 0.334 32.025 31.700 -0.016 0.000 0.780 713 S N 0.009 115.660 115.700 -0.082 0.000 2.621 713 S HA 0.429 4.899 4.470 -0.000 0.000 0.302 713 S C 0.050 174.706 174.600 0.093 0.000 1.093 713 S CA -0.453 57.725 58.200 -0.036 0.000 1.017 713 S CB 1.159 64.310 63.200 -0.082 0.000 1.077 713 S HN -0.038 nan 8.310 nan 0.000 0.517 714 N N 1.986 120.677 118.700 -0.015 0.000 2.733 714 N HA 0.302 5.042 4.740 -0.000 0.000 0.271 714 N C -2.980 172.427 175.510 -0.171 0.000 1.720 714 N CA -1.720 51.292 53.050 -0.064 0.000 0.803 714 N CB 0.639 38.917 38.487 -0.347 0.000 1.208 714 N HN 0.248 nan 8.380 nan 0.000 0.498 715 P HA 0.109 nan 4.420 nan 0.000 0.268 715 P C -0.753 176.319 177.300 -0.380 0.000 1.204 715 P CA 0.167 63.105 63.100 -0.270 0.000 0.768 715 P CB 1.033 32.617 31.700 -0.192 0.000 0.842 716 Q N 1.498 120.897 119.800 -0.668 0.000 2.458 716 Q HA 0.354 4.694 4.340 -0.000 0.000 0.282 716 Q C -0.435 175.170 176.000 -0.658 0.000 1.106 716 Q CA -0.742 54.646 55.803 -0.691 0.000 0.814 716 Q CB 1.630 29.881 28.738 -0.811 0.000 1.425 716 Q HN 0.571 nan 8.270 nan 0.000 0.437 717 H N 0.514 119.364 119.070 -0.366 0.000 2.481 717 H HA 0.398 4.953 4.556 -0.000 0.000 0.339 717 H C -0.189 175.143 175.328 0.007 0.000 1.131 717 H CA -0.320 55.611 56.048 -0.196 0.000 1.301 717 H CB 1.083 30.644 29.762 -0.334 0.000 1.476 717 H HN 0.338 nan 8.280 nan 0.000 0.529 718 Q N 1.009 120.924 119.800 0.192 0.000 2.416 718 Q HA 0.353 4.693 4.340 -0.000 0.000 0.281 718 Q C -0.293 175.712 176.000 0.008 0.000 1.067 718 Q CA -0.938 54.916 55.803 0.084 0.000 0.809 718 Q CB 2.469 31.253 28.738 0.077 0.000 1.418 718 Q HN 0.709 nan 8.270 nan 0.000 0.411 719 E N 0.850 120.989 120.200 -0.102 0.000 2.081 719 E HA 0.036 4.386 4.350 -0.000 0.000 0.213 719 E C 0.725 177.266 176.600 -0.098 0.000 0.921 719 E CA 0.740 57.082 56.400 -0.097 0.000 0.936 719 E CB 0.192 29.816 29.700 -0.127 0.000 0.981 719 E HN 0.793 nan 8.360 nan 0.000 0.502 720 C N 0.189 119.407 119.300 -0.136 0.000 2.634 720 C HA 0.300 4.760 4.460 -0.000 0.000 0.268 720 C C 0.053 175.107 174.990 0.106 0.000 1.322 720 C CA -0.586 58.442 59.018 0.017 0.000 1.737 720 C CB -1.065 26.766 27.740 0.152 0.000 1.976 720 C HN 0.427 nan 8.230 nan 0.000 0.547 721 F N -2.659 117.250 119.950 -0.069 0.000 2.773 721 F HA 0.763 5.290 4.527 -0.000 0.000 0.314 721 F C -1.372 174.287 175.800 -0.234 0.000 1.160 721 F CA -1.361 56.560 58.000 -0.133 0.000 0.920 721 F CB 0.812 39.723 39.000 -0.148 0.000 1.323 721 F HN -0.284 nan 8.300 nan 0.000 0.457 722 V N 0.683 120.596 119.914 -0.001 0.000 3.007 722 V HA 0.855 4.975 4.120 -0.000 0.000 0.311 722 V C -1.475 174.589 176.094 -0.050 0.000 1.120 722 V CA -0.152 62.026 62.300 -0.204 0.000 0.980 722 V CB 2.159 33.553 31.823 -0.716 0.000 1.033 722 V HN 1.205 nan 8.190 nan 0.000 0.429 723 S N 4.622 120.303 115.700 -0.032 0.000 2.536 723 S HA 0.783 5.253 4.470 -0.000 0.000 0.271 723 S C -1.627 173.015 174.600 0.069 0.000 1.134 723 S CA -0.541 57.668 58.200 0.016 0.000 0.897 723 S CB 1.514 64.764 63.200 0.084 0.000 1.094 723 S HN 0.725 nan 8.310 nan 0.000 0.473 724 L N 3.793 125.060 121.223 0.073 0.000 2.346 724 L HA 0.763 5.103 4.340 -0.000 0.000 0.274 724 L C -1.246 175.759 176.870 0.225 0.000 1.007 724 L CA -0.706 54.215 54.840 0.134 0.000 0.818 724 L CB 1.810 43.914 42.059 0.074 0.000 1.284 724 L HN 0.711 nan 8.230 nan 0.000 0.424 725 F N 1.949 121.924 119.950 0.040 0.000 2.605 725 F HA 0.240 4.767 4.527 -0.000 0.000 0.320 725 F C -0.159 175.665 175.800 0.040 0.000 1.159 725 F CA -1.179 56.832 58.000 0.019 0.000 0.999 725 F CB 1.359 40.351 39.000 -0.013 0.000 1.258 725 F HN 0.568 nan 8.300 nan 0.000 0.464 726 D N 2.174 122.239 120.400 -0.558 0.000 2.340 726 D HA 0.354 4.993 4.640 -0.000 0.000 0.217 726 D C 1.454 177.462 176.300 -0.487 0.000 1.081 726 D CA 0.730 54.507 54.000 -0.371 0.000 0.842 726 D CB 0.552 41.230 40.800 -0.203 0.000 0.934 726 D HN 0.957 nan 8.370 nan 0.000 0.511 727 G N -0.092 108.124 108.800 -0.974 0.000 2.307 727 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.210 727 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.210 727 G C 1.032 175.641 174.900 -0.485 0.000 1.005 727 G CA 0.190 44.983 45.100 -0.512 0.000 0.634 727 G HN 0.278 nan 8.290 nan 0.000 0.496 728 E N -0.080 119.740 120.200 -0.632 0.000 2.489 728 E HA 0.180 4.530 4.350 -0.000 0.000 0.208 728 E C 0.308 176.840 176.600 -0.114 0.000 0.814 728 E CA 0.230 56.505 56.400 -0.209 0.000 1.348 728 E CB 0.512 30.159 29.700 -0.089 0.000 1.334 728 E HN 0.499 nan 8.360 nan 0.000 0.672 729 N N -0.026 118.485 118.700 -0.315 0.000 2.284 729 N HA 0.622 5.362 4.740 -0.000 0.000 0.289 729 N C -0.216 175.315 175.510 0.035 0.000 1.179 729 N CA -0.106 52.944 53.050 0.000 0.000 0.774 729 N CB 2.604 41.112 38.487 0.036 0.000 1.548 729 N HN 0.088 nan 8.380 nan 0.000 0.473 730 G N -0.695 108.250 108.800 0.242 0.000 2.490 730 G HA2 0.530 4.490 3.960 -0.000 0.000 0.308 730 G HA3 0.530 4.490 3.960 -0.000 0.000 0.308 730 G C -1.918 173.005 174.900 0.039 0.000 1.286 730 G CA -0.266 44.968 45.100 0.224 0.000 0.825 730 G HN 0.326 nan 8.290 nan 0.000 0.479 731 V N -0.166 119.709 119.914 -0.065 0.000 2.760 731 V HA 0.729 4.849 4.120 -0.000 0.000 0.309 731 V C -0.599 175.333 176.094 -0.271 0.000 1.077 731 V CA -0.554 61.557 62.300 -0.314 0.000 0.910 731 V CB 2.243 33.862 31.823 -0.340 0.000 1.008 731 V HN 0.849 nan 8.190 nan 0.000 0.424 732 T N 5.773 120.083 114.554 -0.406 0.000 2.809 732 T HA 0.573 4.923 4.350 -0.000 0.000 0.284 732 T C -0.628 173.871 174.700 -0.335 0.000 0.992 732 T CA -0.295 61.635 62.100 -0.284 0.000 0.957 732 T CB 0.858 69.566 68.868 -0.267 0.000 0.942 732 T HN 0.293 nan 8.240 nan 0.000 0.439 733 I N 3.443 123.875 120.570 -0.229 0.000 2.312 733 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 733 I C 1.011 177.113 176.117 -0.025 0.000 1.008 733 I CA -0.531 60.646 61.300 -0.205 0.000 1.226 733 I CB 0.777 38.602 38.000 -0.290 0.000 1.371 733 I HN 0.682 nan 8.210 nan 0.000 0.468 734 G N 6.551 115.375 108.800 0.039 0.000 2.451 734 G HA2 0.555 4.515 3.960 -0.000 0.000 0.303 734 G HA3 0.555 4.515 3.960 -0.000 0.000 0.303 734 G C -0.391 174.634 174.900 0.208 0.000 1.166 734 G CA -0.533 44.648 45.100 0.135 0.000 0.884 734 G HN 0.768 nan 8.290 nan 0.000 0.514 735 N N -1.286 117.542 118.700 0.213 0.000 2.610 735 N HA 0.277 5.017 4.740 -0.000 0.000 0.264 735 N C -2.137 173.531 175.510 0.263 0.000 1.348 735 N CA -0.799 52.408 53.050 0.262 0.000 0.819 735 N CB 2.242 40.845 38.487 0.193 0.000 1.521 735 N HN 0.450 nan 8.380 nan 0.000 0.497 736 Y N -0.052 120.343 120.300 0.159 0.000 2.526 736 Y HA 0.420 4.970 4.550 -0.000 0.000 0.328 736 Y C 0.900 176.858 175.900 0.096 0.000 0.995 736 Y CA 0.511 58.680 58.100 0.115 0.000 1.304 736 Y CB 0.301 38.825 38.460 0.107 0.000 1.096 736 Y HN 0.994 nan 8.280 nan 0.000 0.499 737 G N 4.486 113.287 108.800 0.000 0.000 2.153 737 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.252 737 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.252 737 G C -0.316 174.636 174.900 0.086 0.000 0.994 737 G CA 0.369 45.484 45.100 0.026 0.000 0.698 737 G HN 0.615 nan 8.290 nan 0.000 0.521 738 L N 0.136 121.428 121.223 0.115 0.000 2.407 738 L HA 0.382 4.722 4.340 -0.000 0.000 0.261 738 L C 0.989 177.907 176.870 0.079 0.000 1.108 738 L CA -0.481 54.422 54.840 0.105 0.000 0.995 738 L CB 0.321 42.462 42.059 0.137 0.000 1.349 738 L HN 0.111 nan 8.230 nan 0.000 0.423 739 N N 0.664 119.399 118.700 0.058 0.000 2.398 739 N HA -0.014 4.726 4.740 -0.000 0.000 0.188 739 N C 0.279 175.815 175.510 0.043 0.000 1.122 739 N CA 0.095 53.182 53.050 0.063 0.000 0.866 739 N CB 0.577 39.107 38.487 0.071 0.000 0.970 739 N HN 0.551 nan 8.380 nan 0.000 0.462 740 E N 0.970 121.175 120.200 0.009 0.000 2.151 740 E HA 0.154 4.504 4.350 -0.000 0.000 0.275 740 E C -1.310 175.292 176.600 0.004 0.000 0.936 740 E CA -0.743 55.613 56.400 -0.073 0.000 0.777 740 E CB 0.682 30.314 29.700 -0.114 0.000 1.108 740 E HN 0.186 nan 8.360 nan 0.000 0.401 741 Y N 1.288 121.528 120.300 -0.100 0.000 2.633 741 Y HA 0.666 5.216 4.550 -0.000 0.000 0.339 741 Y C -1.020 174.806 175.900 -0.122 0.000 1.045 741 Y CA -1.177 56.865 58.100 -0.097 0.000 1.098 741 Y CB 1.433 39.837 38.460 -0.093 0.000 1.296 741 Y HN 0.411 nan 8.280 nan 0.000 0.494 742 E N 1.779 121.957 120.200 -0.037 0.000 2.331 742 E HA 0.456 4.806 4.350 -0.000 0.000 0.275 742 E C -1.735 174.854 176.600 -0.017 0.000 0.895 742 E CA -0.964 55.352 56.400 -0.141 0.000 0.753 742 E CB 1.813 31.427 29.700 -0.145 0.000 1.216 742 E HN 0.665 nan 8.360 nan 0.000 0.434 743 I N 4.694 125.193 120.570 -0.118 0.000 2.342 743 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 743 I C -0.032 175.983 176.117 -0.169 0.000 1.010 743 I CA -0.548 60.649 61.300 -0.172 0.000 1.308 743 I CB 0.757 38.567 38.000 -0.316 0.000 1.400 743 I HN 0.523 nan 8.210 nan 0.000 0.488 744 L N 8.730 129.870 121.223 -0.138 0.000 2.270 744 L HA 0.282 4.622 4.340 -0.000 0.000 0.286 744 L C -1.255 175.517 176.870 -0.164 0.000 1.059 744 L CA -1.362 53.398 54.840 -0.133 0.000 0.839 744 L CB 0.859 42.864 42.059 -0.091 0.000 1.221 744 L HN 0.341 nan 8.230 nan 0.000 0.431 745 P HA -0.123 nan 4.420 nan 0.000 0.221 745 P C 0.563 177.770 177.300 -0.155 0.000 1.150 745 P CA 0.880 63.781 63.100 -0.331 0.000 0.800 745 P CB 0.450 31.656 31.700 -0.824 0.000 0.787 746 D N -0.090 120.261 120.400 -0.081 0.000 2.218 746 D HA -0.084 4.555 4.640 -0.000 0.000 0.204 746 D C 1.602 177.896 176.300 -0.010 0.000 0.976 746 D CA 1.895 55.891 54.000 -0.007 0.000 0.853 746 D CB -0.502 40.302 40.800 0.007 0.000 0.939 746 D HN 0.330 nan 8.370 nan 0.000 0.481 747 T N -3.937 110.572 114.554 -0.074 0.000 3.058 747 T HA 0.089 4.439 4.350 -0.000 0.000 0.278 747 T C 0.337 174.901 174.700 -0.227 0.000 0.974 747 T CA -0.455 61.545 62.100 -0.167 0.000 0.893 747 T CB 0.171 68.891 68.868 -0.246 0.000 1.138 747 T HN -0.215 nan 8.240 nan 0.000 0.529 748 N N 2.259 120.880 118.700 -0.132 0.000 2.686 748 N HA -0.117 4.623 4.740 -0.000 0.000 0.261 748 N C -0.778 174.664 175.510 -0.112 0.000 1.001 748 N CA 0.976 53.962 53.050 -0.107 0.000 0.764 748 N CB -1.432 37.029 38.487 -0.044 0.000 0.898 748 N HN 0.566 nan 8.380 nan 0.000 0.544 749 T N 1.005 115.486 114.554 -0.123 0.000 2.817 749 T HA 0.459 4.808 4.350 -0.000 0.000 0.293 749 T C 1.209 175.881 174.700 -0.045 0.000 0.964 749 T CA -0.390 61.660 62.100 -0.084 0.000 1.085 749 T CB 1.154 69.963 68.868 -0.098 0.000 0.921 749 T HN 0.114 nan 8.240 nan 0.000 0.502 750 I N 3.020 123.600 120.570 0.018 0.000 2.312 750 I HA 0.435 4.605 4.170 -0.000 0.000 0.291 750 I C 0.486 176.660 176.117 0.095 0.000 1.031 750 I CA -0.501 60.821 61.300 0.037 0.000 1.293 750 I CB 0.775 38.784 38.000 0.014 0.000 1.403 750 I HN 0.610 nan 8.210 nan 0.000 0.484 751 A N 8.398 131.250 122.820 0.054 0.000 2.258 751 A HA 0.694 5.014 4.320 -0.000 0.000 0.316 751 A C -0.493 177.121 177.584 0.051 0.000 1.279 751 A CA -0.510 51.543 52.037 0.027 0.000 0.876 751 A CB 0.414 19.407 19.000 -0.012 0.000 1.170 751 A HN 0.524 nan 8.150 nan 0.000 0.520 752 I N 2.528 123.112 120.570 0.024 0.000 2.354 752 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 752 I C 0.310 176.410 176.117 -0.028 0.000 0.989 752 I CA -0.092 61.214 61.300 0.010 0.000 1.188 752 I CB 1.250 39.230 38.000 -0.033 0.000 1.342 752 I HN 0.507 nan 8.210 nan 0.000 0.457 753 T N 7.519 122.070 114.554 -0.005 0.000 2.761 753 T HA 0.356 4.706 4.350 -0.000 0.000 0.296 753 T C 1.528 176.238 174.700 0.016 0.000 0.934 753 T CA -0.204 61.892 62.100 -0.007 0.000 1.091 753 T CB 0.981 69.838 68.868 -0.019 0.000 0.896 753 T HN 0.385 nan 8.240 nan 0.000 0.515 754 L N 2.872 124.118 121.223 0.037 0.000 2.463 754 L HA 0.447 4.787 4.340 -0.000 0.000 0.219 754 L C 0.102 177.033 176.870 0.101 0.000 1.088 754 L CA 0.180 55.086 54.840 0.110 0.000 0.849 754 L CB 0.168 42.348 42.059 0.202 0.000 1.012 754 L HN 0.387 nan 8.230 nan 0.000 0.468 755 L N -0.293 120.945 121.223 0.024 0.000 2.565 755 L HA 0.461 4.801 4.340 -0.000 0.000 0.261 755 L C -1.098 175.707 176.870 -0.108 0.000 0.932 755 L CA -0.296 54.511 54.840 -0.054 0.000 0.878 755 L CB 1.964 43.990 42.059 -0.054 0.000 1.333 755 L HN -0.054 nan 8.230 nan 0.000 0.409 756 R N 2.822 123.267 120.500 -0.091 0.000 2.483 756 R HA 0.759 5.099 4.340 -0.000 0.000 0.303 756 R C -1.471 174.798 176.300 -0.052 0.000 0.987 756 R CA -0.287 55.762 56.100 -0.085 0.000 0.881 756 R CB 1.779 32.058 30.300 -0.036 0.000 1.177 756 R HN 0.733 nan 8.270 nan 0.000 0.451 757 S N 3.505 119.163 115.700 -0.071 0.000 2.474 757 S HA 0.489 4.959 4.470 -0.000 0.000 0.321 757 S C -0.489 174.156 174.600 0.075 0.000 1.080 757 S CA -0.699 57.517 58.200 0.027 0.000 1.106 757 S CB 1.419 64.654 63.200 0.058 0.000 0.984 757 S HN 0.456 nan 8.310 nan 0.000 0.464 758 V N 0.336 120.305 119.914 0.091 0.000 3.141 758 V HA 0.999 5.119 4.120 -0.000 0.000 0.312 758 V C 0.554 176.718 176.094 0.116 0.000 1.157 758 V CA -0.763 61.599 62.300 0.104 0.000 1.041 758 V CB 1.567 33.452 31.823 0.103 0.000 1.071 758 V HN 0.753 nan 8.190 nan 0.000 0.441 759 G N 0.241 109.114 108.800 0.122 0.000 3.228 759 G HA2 0.513 4.473 3.960 -0.000 0.000 0.245 759 G HA3 0.513 4.473 3.960 -0.000 0.000 0.245 759 G C 0.099 175.081 174.900 0.137 0.000 1.051 759 G CA 0.583 45.759 45.100 0.126 0.000 0.809 759 G HN 1.079 nan 8.290 nan 0.000 0.531 760 E N -1.490 118.799 120.200 0.149 0.000 2.413 760 E HA 0.467 4.816 4.350 -0.000 0.000 0.277 760 E C 0.794 177.501 176.600 0.179 0.000 0.958 760 E CA -0.977 55.513 56.400 0.151 0.000 0.779 760 E CB 1.101 30.926 29.700 0.207 0.000 1.278 760 E HN -0.111 nan 8.360 nan 0.000 0.456 761 M N 1.185 120.904 119.600 0.198 0.000 2.077 761 M HA 0.069 4.549 4.480 -0.000 0.000 0.261 761 M C 0.846 177.382 176.300 0.393 0.000 1.070 761 M CA 2.852 58.304 55.300 0.253 0.000 1.125 761 M CB -0.428 32.301 32.600 0.216 0.000 1.339 761 M HN 0.967 nan 8.290 nan 0.000 0.409 762 G N 0.091 109.122 108.800 0.385 0.000 2.416 762 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.203 762 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.203 762 G C -0.254 174.856 174.900 0.349 0.000 1.227 762 G CA 0.153 45.489 45.100 0.394 0.000 1.041 762 G HN 0.681 nan 8.290 nan 0.000 0.546 763 D N -2.332 118.194 120.400 0.211 0.000 3.639 763 D HA -0.210 4.429 4.640 -0.000 0.000 0.162 763 D C 1.508 177.929 176.300 0.202 0.000 1.054 763 D CA 3.613 57.708 54.000 0.159 0.000 1.085 763 D CB -1.433 39.594 40.800 0.378 0.000 0.547 763 D HN 1.538 nan 8.370 nan 0.000 0.595 764 W N 1.328 122.727 121.300 0.164 0.000 3.077 764 W HA 0.437 5.097 4.660 -0.000 0.000 0.245 764 W C 0.417 176.995 176.519 0.098 0.000 1.316 764 W CA 0.653 58.058 57.345 0.100 0.000 1.537 764 W CB -0.865 28.639 29.460 0.073 0.000 1.131 764 W HN 0.501 nan 8.180 nan 0.000 0.695 765 G N -0.008 108.646 108.800 -0.243 0.000 2.619 765 G HA2 0.347 4.307 3.960 -0.000 0.000 0.305 765 G HA3 0.347 4.307 3.960 -0.000 0.000 0.305 765 G C -2.456 172.174 174.900 -0.450 0.000 1.330 765 G CA -1.072 43.742 45.100 -0.476 0.000 0.789 765 G HN 0.060 nan 8.290 nan 0.000 0.487 766 Y N 0.808 120.635 120.300 -0.788 0.000 2.454 766 Y HA 0.713 5.263 4.550 -0.000 0.000 0.345 766 Y C -1.358 174.027 175.900 -0.858 0.000 0.970 766 Y CA -2.036 55.722 58.100 -0.570 0.000 1.204 766 Y CB 0.377 38.627 38.460 -0.349 0.000 1.122 766 Y HN 0.212 nan 8.280 nan 0.000 0.514 767 F N 8.409 128.006 119.950 -0.588 0.000 2.552 767 F HA 0.402 4.929 4.527 -0.000 0.000 0.369 767 F C -2.282 173.212 175.800 -0.509 0.000 1.112 767 F CA -2.680 54.995 58.000 -0.542 0.000 1.129 767 F CB 0.997 39.800 39.000 -0.328 0.000 1.360 767 F HN 0.412 nan 8.300 nan 0.000 0.473 768 P HA 0.064 nan 4.420 nan 0.000 0.265 768 P C -0.030 177.243 177.300 -0.045 0.000 1.193 768 P CA 0.030 62.964 63.100 -0.277 0.000 0.765 768 P CB 0.906 32.465 31.700 -0.236 0.000 0.823 769 T N -0.310 114.269 114.554 0.040 0.000 3.418 769 T HA 0.299 4.649 4.350 -0.000 0.000 0.315 769 T C -1.891 172.872 174.700 0.106 0.000 1.447 769 T CA -1.903 60.254 62.100 0.093 0.000 1.641 769 T CB 0.889 69.837 68.868 0.134 0.000 0.904 769 T HN 0.151 nan 8.240 nan 0.000 0.640 770 P HA -0.083 nan 4.420 nan 0.000 0.220 770 P C 1.022 178.387 177.300 0.108 0.000 1.148 770 P CA 1.062 64.218 63.100 0.093 0.000 0.803 770 P CB 0.313 32.057 31.700 0.074 0.000 0.782 771 E N -0.219 120.053 120.200 0.121 0.000 2.478 771 E HA 0.032 4.382 4.350 -0.000 0.000 0.198 771 E C 1.920 178.636 176.600 0.193 0.000 1.046 771 E CA 0.408 56.892 56.400 0.140 0.000 0.870 771 E CB -0.307 29.477 29.700 0.140 0.000 0.818 771 E HN 0.208 nan 8.360 nan 0.000 0.527 772 A N 0.989 123.916 122.820 0.178 0.000 2.209 772 A HA -0.128 4.192 4.320 -0.000 0.000 0.212 772 A C 1.867 179.547 177.584 0.160 0.000 1.158 772 A CA 0.582 52.720 52.037 0.169 0.000 0.742 772 A CB -0.008 19.070 19.000 0.131 0.000 0.790 772 A HN 0.084 nan 8.150 nan 0.000 0.472 773 Q N -1.477 118.416 119.800 0.154 0.000 2.436 773 Q HA -0.049 4.291 4.340 -0.000 0.000 0.209 773 Q C 0.637 176.748 176.000 0.185 0.000 0.965 773 Q CA 0.799 56.693 55.803 0.152 0.000 0.910 773 Q CB -0.709 28.111 28.738 0.136 0.000 0.980 773 Q HN 0.712 nan 8.270 nan 0.000 0.491 774 C N 1.143 120.576 119.300 0.221 0.000 4.167 774 C HA -0.171 4.289 4.460 -0.000 0.000 0.302 774 C C 0.673 175.870 174.990 0.346 0.000 1.384 774 C CA -0.406 58.797 59.018 0.307 0.000 2.041 774 C CB -3.046 24.903 27.740 0.349 0.000 1.303 774 C HN 0.381 nan 8.230 nan 0.000 0.718 775 L N 1.001 122.339 121.223 0.191 0.000 2.452 775 L HA 0.582 4.922 4.340 -0.000 0.000 0.267 775 L C 1.197 178.101 176.870 0.056 0.000 1.188 775 L CA 1.456 56.387 54.840 0.151 0.000 0.821 775 L CB 0.381 42.494 42.059 0.090 0.000 1.102 775 L HN 0.870 nan 8.230 nan 0.000 0.470 776 G N 1.769 110.592 108.800 0.039 0.000 2.549 776 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.404 776 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.404 776 G C -0.920 173.864 174.900 -0.193 0.000 1.292 776 G CA -0.851 44.199 45.100 -0.084 0.000 0.935 776 G HN 0.533 nan 8.290 nan 0.000 0.512 777 K N 0.742 120.977 120.400 -0.275 0.000 2.326 777 K HA 0.477 4.796 4.320 -0.000 0.000 0.275 777 K C -0.172 176.051 176.600 -0.629 0.000 1.018 777 K CA -0.093 56.003 56.287 -0.319 0.000 0.962 777 K CB 0.412 32.788 32.500 -0.206 0.000 0.953 777 K HN 0.541 nan 8.250 nan 0.000 0.475 778 H N -0.260 118.556 119.070 -0.423 0.000 2.821 778 H HA 0.274 4.830 4.556 -0.000 0.000 0.373 778 H C -1.063 174.001 175.328 -0.440 0.000 1.165 778 H CA -0.676 55.092 56.048 -0.468 0.000 1.154 778 H CB 2.370 31.707 29.762 -0.708 0.000 1.765 778 H HN 0.489 nan 8.280 nan 0.000 0.549 779 S N 2.950 118.591 115.700 -0.098 0.000 2.776 779 S HA 0.369 4.839 4.470 -0.000 0.000 0.284 779 S C -1.550 173.089 174.600 0.065 0.000 1.160 779 S CA -0.779 57.397 58.200 -0.040 0.000 1.051 779 S CB 0.001 63.172 63.200 -0.050 0.000 1.037 779 S HN 0.300 nan 8.310 nan 0.000 0.485 780 L N 3.815 125.136 121.223 0.163 0.000 2.313 780 L HA 0.617 4.956 4.340 -0.000 0.000 0.283 780 L C 0.246 177.331 176.870 0.359 0.000 1.013 780 L CA -0.376 54.635 54.840 0.285 0.000 0.816 780 L CB 1.153 43.435 42.059 0.371 0.000 1.236 780 L HN 0.597 nan 8.230 nan 0.000 0.419 781 S N 3.489 119.377 115.700 0.315 0.000 2.472 781 S HA 0.850 5.320 4.470 -0.000 0.000 0.303 781 S C -0.880 173.969 174.600 0.415 0.000 1.099 781 S CA -0.445 57.896 58.200 0.235 0.000 1.077 781 S CB 1.517 64.755 63.200 0.063 0.000 1.031 781 S HN 0.530 nan 8.310 nan 0.000 0.487 782 Y N -0.884 119.592 120.300 0.293 0.000 2.725 782 Y HA 0.815 5.365 4.550 -0.000 0.000 0.333 782 Y C -0.632 175.491 175.900 0.371 0.000 1.242 782 Y CA -1.274 57.008 58.100 0.304 0.000 1.059 782 Y CB 0.716 39.361 38.460 0.308 0.000 1.306 782 Y HN 0.614 nan 8.280 nan 0.000 0.454 783 S N 0.629 116.580 115.700 0.419 0.000 2.579 783 S HA 0.753 5.222 4.470 -0.000 0.000 0.272 783 S C -1.963 172.788 174.600 0.253 0.000 1.141 783 S CA -0.715 57.635 58.200 0.251 0.000 0.843 783 S CB 2.340 65.571 63.200 0.051 0.000 1.122 783 S HN 1.060 nan 8.310 nan 0.000 0.468 784 F N 1.088 121.074 119.950 0.059 0.000 2.520 784 F HA 0.765 5.291 4.527 -0.000 0.000 0.322 784 F C -0.462 175.271 175.800 -0.112 0.000 1.103 784 F CA -0.335 57.636 58.000 -0.048 0.000 0.926 784 F CB 1.649 40.745 39.000 0.159 0.000 1.154 784 F HN 0.930 nan 8.300 nan 0.000 0.453 785 E N 3.841 123.495 120.200 -0.910 0.000 2.290 785 E HA 0.320 4.670 4.350 -0.000 0.000 0.274 785 E C -1.738 174.241 176.600 -1.034 0.000 0.889 785 E CA -0.745 55.206 56.400 -0.748 0.000 0.760 785 E CB 1.986 31.399 29.700 -0.479 0.000 1.206 785 E HN 0.593 nan 8.360 nan 0.000 0.419 786 S N 4.924 120.236 115.700 -0.645 0.000 2.475 786 S HA 0.553 5.022 4.470 -0.000 0.000 0.281 786 S C -0.133 174.353 174.600 -0.190 0.000 1.198 786 S CA -0.671 57.325 58.200 -0.339 0.000 1.063 786 S CB 0.090 63.339 63.200 0.082 0.000 0.972 786 S HN 0.468 nan 8.310 nan 0.000 0.486 787 I N 2.282 122.767 120.570 -0.141 0.000 2.846 787 I HA 0.826 4.996 4.170 -0.000 0.000 0.307 787 I C -0.158 175.979 176.117 0.034 0.000 1.053 787 I CA -0.783 60.438 61.300 -0.132 0.000 1.050 787 I CB 2.292 40.121 38.000 -0.285 0.000 1.239 787 I HN 0.604 nan 8.210 nan 0.000 0.439 788 T N 0.059 114.622 114.554 0.014 0.000 2.910 788 T HA 0.392 4.742 4.350 -0.000 0.000 0.287 788 T C 0.659 175.416 174.700 0.095 0.000 1.050 788 T CA -0.675 61.505 62.100 0.132 0.000 1.011 788 T CB 1.899 70.811 68.868 0.074 0.000 1.195 788 T HN 0.810 nan 8.240 nan 0.000 0.540 789 K N 0.283 120.827 120.400 0.240 0.000 2.127 789 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 789 K C 2.078 178.648 176.600 -0.050 0.000 1.047 789 K CA 1.925 58.295 56.287 0.139 0.000 0.927 789 K CB -0.519 32.118 32.500 0.227 0.000 0.716 789 K HN 0.591 nan 8.250 nan 0.000 0.450 790 Q N -1.089 118.703 119.800 -0.014 0.000 2.311 790 Q HA -0.002 4.338 4.340 -0.000 0.000 0.203 790 Q C 1.438 177.388 176.000 -0.083 0.000 0.954 790 Q CA 1.562 57.353 55.803 -0.020 0.000 0.885 790 Q CB 0.284 29.030 28.738 0.013 0.000 0.963 790 Q HN 0.603 nan 8.270 nan 0.000 0.471 791 T N -4.120 110.332 114.554 -0.171 0.000 3.040 791 T HA 0.111 4.461 4.350 -0.000 0.000 0.266 791 T C 1.430 175.838 174.700 -0.486 0.000 1.005 791 T CA -0.189 61.751 62.100 -0.266 0.000 0.906 791 T CB 0.262 68.990 68.868 -0.233 0.000 1.082 791 T HN 0.171 nan 8.240 nan 0.000 0.531 792 Q N 0.317 119.742 119.800 -0.625 0.000 2.045 792 Q HA -0.135 4.205 4.340 -0.000 0.000 0.206 792 Q C 1.334 176.472 176.000 -1.435 0.000 0.991 792 Q CA 1.903 57.046 55.803 -1.101 0.000 0.851 792 Q CB -0.329 27.570 28.738 -1.399 0.000 0.911 792 Q HN 0.597 nan 8.270 nan 0.000 0.418 793 F N 0.122 119.589 119.950 -0.805 0.000 2.259 793 F HA 0.018 4.544 4.527 -0.000 0.000 0.298 793 F C 2.405 177.805 175.800 -0.667 0.000 1.088 793 F CA 0.880 58.478 58.000 -0.670 0.000 1.358 793 F CB -0.649 38.199 39.000 -0.253 0.000 1.040 793 F HN 0.202 nan 8.300 nan 0.000 0.505 794 A N -0.072 122.418 122.820 -0.551 0.000 1.972 794 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 794 A C 2.382 179.179 177.584 -1.311 0.000 1.169 794 A CA 1.929 53.270 52.037 -1.159 0.000 0.635 794 A CB -1.176 17.412 19.000 -0.687 0.000 0.810 794 A HN 0.399 nan 8.150 nan 0.000 0.446 795 S N -1.293 113.852 115.700 -0.924 0.000 2.419 795 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 795 S C 1.852 176.080 174.600 -0.620 0.000 1.016 795 S CA 1.421 59.169 58.200 -0.753 0.000 0.974 795 S CB -0.651 62.150 63.200 -0.665 0.000 0.786 795 S HN 0.531 nan 8.310 nan 0.000 0.492 796 Y N 1.793 121.614 120.300 -0.798 0.000 2.206 796 Y HA 0.095 4.644 4.550 -0.000 0.000 0.292 796 Y C 2.579 178.250 175.900 -0.381 0.000 1.123 796 Y CA -0.119 57.439 58.100 -0.903 0.000 1.142 796 Y CB -1.610 36.419 38.460 -0.719 0.000 1.006 796 Y HN 0.598 nan 8.280 nan 0.000 0.518 797 W N 0.886 122.114 121.300 -0.120 0.000 2.425 797 W HA -0.032 4.628 4.660 -0.000 0.000 0.277 797 W C 1.604 178.064 176.519 -0.098 0.000 1.231 797 W CA 0.560 57.823 57.345 -0.136 0.000 1.248 797 W CB -0.852 28.342 29.460 -0.444 0.000 1.117 797 W HN 0.011 nan 8.180 nan 0.000 0.568 798 R N 1.136 121.413 120.500 -0.371 0.000 2.081 798 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 798 R C 2.767 179.044 176.300 -0.039 0.000 1.131 798 R CA 2.013 57.976 56.100 -0.228 0.000 0.960 798 R CB -0.702 29.292 30.300 -0.510 0.000 0.856 798 R HN 0.227 nan 8.270 nan 0.000 0.436 799 A N 0.937 123.715 122.820 -0.070 0.000 1.933 799 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 799 A C 2.024 179.718 177.584 0.183 0.000 1.175 799 A CA 1.221 53.295 52.037 0.062 0.000 0.628 799 A CB -0.312 18.733 19.000 0.075 0.000 0.814 799 A HN 0.338 nan 8.150 nan 0.000 0.444 800 Q N -0.668 119.276 119.800 0.239 0.000 2.020 800 Q HA -0.153 4.187 4.340 -0.000 0.000 0.198 800 Q C 1.930 178.064 176.000 0.224 0.000 0.974 800 Q CA 1.642 57.598 55.803 0.255 0.000 0.829 800 Q CB -0.168 28.756 28.738 0.310 0.000 0.894 800 Q HN 0.764 nan 8.270 nan 0.000 0.433 801 E N -0.083 120.273 120.200 0.259 0.000 2.285 801 E HA -0.052 4.298 4.350 -0.000 0.000 0.194 801 E C 1.866 178.591 176.600 0.209 0.000 0.997 801 E CA 0.520 57.069 56.400 0.248 0.000 0.845 801 E CB -0.016 29.874 29.700 0.316 0.000 0.782 801 E HN 0.422 nan 8.360 nan 0.000 0.491 802 G N 1.182 110.092 108.800 0.184 0.000 2.535 802 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 802 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 802 G C 1.276 176.284 174.900 0.180 0.000 1.122 802 G CA 0.182 45.370 45.100 0.147 0.000 0.769 802 G HN 0.209 nan 8.290 nan 0.000 0.549 803 Q N -0.590 119.345 119.800 0.225 0.000 2.472 803 Q HA 0.096 4.436 4.340 -0.000 0.000 0.208 803 Q C -0.133 176.045 176.000 0.297 0.000 0.958 803 Q CA 0.220 56.222 55.803 0.332 0.000 0.932 803 Q CB 0.535 29.420 28.738 0.246 0.000 1.007 803 Q HN 0.339 nan 8.270 nan 0.000 0.508 804 V N 3.120 123.159 119.914 0.208 0.000 2.407 804 V HA 0.286 4.406 4.120 -0.000 0.000 0.291 804 V C -2.157 174.025 176.094 0.147 0.000 1.018 804 V CA -1.920 60.486 62.300 0.177 0.000 0.842 804 V CB 1.420 33.339 31.823 0.159 0.000 0.996 804 V HN 0.035 nan 8.190 nan 0.000 0.426 805 P HA 0.247 nan 4.420 nan 0.000 0.276 805 P C -0.144 177.231 177.300 0.125 0.000 1.252 805 P CA -0.216 62.952 63.100 0.114 0.000 0.802 805 P CB 1.082 32.839 31.700 0.096 0.000 1.035 806 V N 2.359 122.348 119.914 0.124 0.000 2.617 806 V HA -0.056 4.064 4.120 -0.000 0.000 0.304 806 V C 0.902 177.096 176.094 0.166 0.000 1.040 806 V CA 0.552 62.941 62.300 0.148 0.000 1.149 806 V CB -0.505 31.400 31.823 0.136 0.000 0.914 806 V HN 0.307 nan 8.190 nan 0.000 0.487 807 I N 4.781 125.483 120.570 0.221 0.000 2.385 807 I HA 0.479 4.649 4.170 -0.000 0.000 0.294 807 I C 0.416 176.733 176.117 0.333 0.000 0.988 807 I CA 0.023 61.462 61.300 0.231 0.000 1.265 807 I CB 1.545 39.647 38.000 0.171 0.000 1.388 807 I HN 0.806 nan 8.210 nan 0.000 0.480 808 T N 1.313 116.019 114.554 0.253 0.000 2.907 808 T HA 0.728 5.078 4.350 -0.000 0.000 0.292 808 T C -0.400 174.435 174.700 0.225 0.000 1.043 808 T CA -0.696 61.568 62.100 0.274 0.000 1.003 808 T CB 2.514 71.513 68.868 0.218 0.000 1.084 808 T HN 0.653 nan 8.240 nan 0.000 0.483 809 T N 0.702 115.402 114.554 0.244 0.000 2.889 809 T HA 0.460 4.810 4.350 -0.000 0.000 0.315 809 T C -1.608 173.174 174.700 0.138 0.000 1.291 809 T CA -0.600 61.591 62.100 0.151 0.000 1.028 809 T CB 2.055 71.005 68.868 0.135 0.000 1.235 809 T HN 0.772 nan 8.240 nan 0.000 0.491 810 Q N 1.211 121.056 119.800 0.076 0.000 2.226 810 Q HA 0.702 5.042 4.340 -0.000 0.000 0.256 810 Q C -0.692 175.327 176.000 0.032 0.000 0.962 810 Q CA -0.737 55.105 55.803 0.065 0.000 0.887 810 Q CB 2.135 30.888 28.738 0.026 0.000 1.282 810 Q HN 0.655 nan 8.270 nan 0.000 0.449 811 T N 0.436 115.003 114.554 0.022 0.000 2.792 811 T HA 0.332 4.682 4.350 -0.000 0.000 0.303 811 T C -1.236 173.460 174.700 -0.007 0.000 1.310 811 T CA -0.762 61.367 62.100 0.048 0.000 1.007 811 T CB 1.089 70.042 68.868 0.141 0.000 1.335 811 T HN 0.789 nan 8.240 nan 0.000 0.504 812 N N 1.378 120.098 118.700 0.033 0.000 2.495 812 N HA 0.367 5.107 4.740 -0.000 0.000 0.294 812 N C -0.795 174.559 175.510 -0.259 0.000 1.276 812 N CA -0.563 52.456 53.050 -0.051 0.000 0.973 812 N CB -0.120 38.372 38.487 0.008 0.000 1.143 812 N HN 0.487 nan 8.380 nan 0.000 0.589 813 Q N -0.526 119.176 119.800 -0.163 0.000 2.288 813 Q HA 0.355 4.695 4.340 -0.000 0.000 0.258 813 Q C -1.005 174.914 176.000 -0.135 0.000 0.957 813 Q CA 0.298 55.991 55.803 -0.183 0.000 0.919 813 Q CB 0.329 29.046 28.738 -0.036 0.000 1.185 813 Q HN 0.825 nan 8.270 nan 0.000 0.408 814 H N -1.302 117.788 119.070 0.034 0.000 3.037 814 H HA 0.353 4.909 4.556 -0.000 0.000 0.336 814 H C -0.996 174.344 175.328 0.020 0.000 1.323 814 H CA -1.106 54.951 56.048 0.016 0.000 1.159 814 H CB 0.531 30.293 29.762 -0.001 0.000 1.882 814 H HN 0.433 nan 8.280 nan 0.000 0.535 815 E N 0.239 120.551 120.200 0.186 0.000 2.442 815 E HA 0.430 4.780 4.350 -0.000 0.000 0.260 815 E C 0.134 176.841 176.600 0.177 0.000 1.148 815 E CA 0.736 57.214 56.400 0.130 0.000 0.976 815 E CB 0.445 30.186 29.700 0.068 0.000 0.967 815 E HN 0.848 nan 8.360 nan 0.000 0.454 816 G N -0.761 108.106 108.800 0.111 0.000 2.579 816 G HA2 0.213 4.172 3.960 -0.000 0.000 0.292 816 G HA3 0.213 4.172 3.960 -0.000 0.000 0.292 816 G C 0.106 175.038 174.900 0.053 0.000 1.484 816 G CA -0.139 45.013 45.100 0.088 0.000 0.813 816 G HN 0.439 nan 8.290 nan 0.000 0.515 817 T N -1.213 113.360 114.554 0.032 0.000 3.081 817 T HA 0.325 4.675 4.350 -0.000 0.000 0.250 817 T C 0.879 175.600 174.700 0.034 0.000 1.100 817 T CA 0.279 62.393 62.100 0.024 0.000 1.038 817 T CB -0.146 68.728 68.868 0.010 0.000 0.962 817 T HN 0.279 nan 8.240 nan 0.000 0.516 818 L N 1.470 122.730 121.223 0.063 0.000 2.331 818 L HA 0.748 5.088 4.340 -0.000 0.000 0.275 818 L C 0.545 177.509 176.870 0.157 0.000 1.022 818 L CA -1.473 53.435 54.840 0.112 0.000 0.812 818 L CB 1.394 43.544 42.059 0.151 0.000 1.257 818 L HN 0.134 nan 8.230 nan 0.000 0.435 819 A N 1.489 124.419 122.820 0.182 0.000 2.386 819 A HA 0.492 4.812 4.320 -0.000 0.000 0.248 819 A C 1.044 178.842 177.584 0.358 0.000 1.082 819 A CA 0.395 52.552 52.037 0.199 0.000 0.789 819 A CB 0.723 19.806 19.000 0.139 0.000 1.025 819 A HN 0.941 nan 8.150 nan 0.000 0.490 820 A N 0.661 123.629 122.820 0.247 0.000 2.067 820 A HA 0.145 4.464 4.320 -0.000 0.000 0.219 820 A C 0.732 178.517 177.584 0.335 0.000 1.158 820 A CA 1.448 53.649 52.037 0.273 0.000 0.661 820 A CB -0.402 18.702 19.000 0.173 0.000 0.801 820 A HN 0.890 nan 8.150 nan 0.000 0.452 821 E N -2.665 117.665 120.200 0.216 0.000 2.314 821 E HA 0.639 4.989 4.350 -0.000 0.000 0.272 821 E C -1.631 174.893 176.600 -0.125 0.000 0.884 821 E CA -0.841 55.580 56.400 0.035 0.000 0.753 821 E CB 1.360 31.057 29.700 -0.006 0.000 1.213 821 E HN 0.147 nan 8.360 nan 0.000 0.432 822 Y N 0.599 120.449 120.300 -0.751 0.000 2.521 822 Y HA 0.356 4.906 4.550 -0.000 0.000 0.328 822 Y C -1.731 173.701 175.900 -0.779 0.000 1.151 822 Y CA -0.591 57.015 58.100 -0.824 0.000 1.054 822 Y CB 2.597 40.388 38.460 -1.116 0.000 1.338 822 Y HN 0.606 nan 8.280 nan 0.000 0.453 823 S N 5.112 120.107 115.700 -1.175 0.000 2.474 823 S HA 0.230 4.700 4.470 -0.000 0.000 0.321 823 S C -0.100 173.922 174.600 -0.964 0.000 1.080 823 S CA -0.493 57.219 58.200 -0.812 0.000 1.106 823 S CB 0.568 63.441 63.200 -0.546 0.000 0.984 823 S HN 0.760 nan 8.310 nan 0.000 0.464 824 Y N 2.936 122.892 120.300 -0.573 0.000 2.373 824 Y HA 0.112 4.661 4.550 -0.000 0.000 0.293 824 Y C 0.485 176.228 175.900 -0.261 0.000 1.129 824 Y CA 0.735 58.678 58.100 -0.261 0.000 1.226 824 Y CB 0.237 38.668 38.460 -0.049 0.000 1.000 824 Y HN 0.645 nan 8.280 nan 0.000 0.549 825 L N -2.690 118.401 121.223 -0.220 0.000 2.409 825 L HA 0.799 5.139 4.340 -0.000 0.000 0.255 825 L C -0.417 176.283 176.870 -0.283 0.000 1.027 825 L CA -0.676 54.013 54.840 -0.253 0.000 0.834 825 L CB 1.802 43.721 42.059 -0.233 0.000 1.426 825 L HN -0.185 nan 8.230 nan 0.000 0.411 826 T N -3.692 110.706 114.554 -0.260 0.000 2.696 826 T HA 0.724 5.073 4.350 -0.000 0.000 0.291 826 T C 0.502 175.064 174.700 -0.231 0.000 1.095 826 T CA -0.450 61.509 62.100 -0.236 0.000 1.026 826 T CB 0.923 69.671 68.868 -0.199 0.000 1.390 826 T HN 2.241 nan 8.240 nan 0.000 0.513 827 G N 1.581 110.257 108.800 -0.206 0.000 2.289 827 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.280 827 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.280 827 G C 0.093 174.833 174.900 -0.267 0.000 1.089 827 G CA 0.260 45.234 45.100 -0.210 0.000 0.939 827 G HN 1.617 nan 8.290 nan 0.000 0.499 828 T N -1.867 112.527 114.554 -0.266 0.000 2.860 828 T HA 0.552 4.902 4.350 -0.000 0.000 0.299 828 T C 0.141 174.727 174.700 -0.191 0.000 1.045 828 T CA 0.045 61.949 62.100 -0.327 0.000 1.071 828 T CB 1.646 70.270 68.868 -0.407 0.000 0.985 828 T HN 0.486 nan 8.240 nan 0.000 0.537 829 N N 0.919 119.541 118.700 -0.130 0.000 2.260 829 N HA 0.320 5.060 4.740 -0.000 0.000 0.293 829 N C -0.165 175.435 175.510 0.150 0.000 1.058 829 N CA -0.857 52.192 53.050 -0.003 0.000 0.824 829 N CB 1.962 40.433 38.487 -0.026 0.000 1.551 829 N HN 0.517 nan 8.380 nan 0.000 0.475 830 D N 0.434 120.946 120.400 0.188 0.000 2.149 830 D HA -0.198 4.442 4.640 -0.000 0.000 0.198 830 D C 1.131 177.570 176.300 0.233 0.000 0.990 830 D CA 1.428 55.634 54.000 0.343 0.000 0.839 830 D CB 0.196 41.181 40.800 0.307 0.000 0.948 830 D HN 0.605 nan 8.370 nan 0.000 0.460 831 Q N 0.102 119.887 119.800 -0.025 0.000 2.444 831 Q HA 0.025 4.365 4.340 -0.000 0.000 0.206 831 Q C -0.512 175.418 176.000 -0.117 0.000 0.948 831 Q CA 0.178 55.785 55.803 -0.326 0.000 0.946 831 Q CB 0.545 28.920 28.738 -0.605 0.000 1.027 831 Q HN -0.019 nan 8.270 nan 0.000 0.513 832 V N 1.640 121.581 119.914 0.045 0.000 2.334 832 V HA 0.494 4.614 4.120 -0.000 0.000 0.281 832 V C -0.165 175.997 176.094 0.114 0.000 1.016 832 V CA -0.719 61.618 62.300 0.062 0.000 0.832 832 V CB 0.964 32.860 31.823 0.121 0.000 0.999 832 V HN 0.215 nan 8.190 nan 0.000 0.439 833 A N 5.047 127.829 122.820 -0.064 0.000 2.340 833 A HA 0.765 5.084 4.320 -0.000 0.000 0.268 833 A C -0.671 176.970 177.584 0.094 0.000 1.100 833 A CA -0.313 51.731 52.037 0.012 0.000 0.803 833 A CB 0.769 19.587 19.000 -0.303 0.000 1.043 833 A HN 0.834 nan 8.150 nan 0.000 0.488 834 L N 2.450 123.773 121.223 0.167 0.000 2.296 834 L HA 0.573 4.913 4.340 -0.000 0.000 0.286 834 L C 1.083 178.107 176.870 0.257 0.000 1.023 834 L CA 0.623 55.574 54.840 0.184 0.000 0.812 834 L CB 1.721 43.822 42.059 0.071 0.000 1.223 834 L HN 0.836 nan 8.230 nan 0.000 0.421 835 T N 1.070 115.822 114.554 0.330 0.000 2.955 835 T HA 0.622 4.972 4.350 -0.000 0.000 0.251 835 T C 0.425 175.303 174.700 0.297 0.000 1.002 835 T CA 0.373 62.675 62.100 0.336 0.000 0.970 835 T CB 0.298 69.429 68.868 0.438 0.000 1.091 835 T HN 0.666 nan 8.240 nan 0.000 0.495 836 A N 0.596 123.592 122.820 0.292 0.000 2.449 836 A HA 0.770 5.090 4.320 -0.000 0.000 0.302 836 A C -1.850 175.911 177.584 0.296 0.000 1.048 836 A CA -0.800 51.395 52.037 0.262 0.000 0.708 836 A CB 1.426 20.547 19.000 0.201 0.000 1.274 836 A HN 0.397 nan 8.150 nan 0.000 0.410 837 F N 2.846 122.858 119.950 0.102 0.000 3.034 837 F HA 0.485 5.012 4.527 -0.000 0.000 0.371 837 F C -0.130 175.708 175.800 0.063 0.000 1.233 837 F CA -0.186 57.844 58.000 0.050 0.000 1.134 837 F CB 1.080 40.086 39.000 0.010 0.000 1.495 837 F HN 0.799 nan 8.300 nan 0.000 0.563 838 K N 3.511 123.842 120.400 -0.116 0.000 2.305 838 K HA 0.725 5.045 4.320 -0.000 0.000 0.268 838 K C -1.382 175.052 176.600 -0.277 0.000 1.034 838 K CA -1.324 54.956 56.287 -0.012 0.000 0.879 838 K CB 2.159 34.719 32.500 0.100 0.000 1.506 838 K HN 0.466 nan 8.250 nan 0.000 0.425 839 R N 0.062 120.264 120.500 -0.497 0.000 2.892 839 R HA 0.389 4.729 4.340 -0.000 0.000 0.265 839 R C -0.881 175.235 176.300 -0.307 0.000 1.025 839 R CA -1.163 54.565 56.100 -0.619 0.000 0.982 839 R CB 2.241 31.882 30.300 -1.098 0.000 1.185 839 R HN 0.551 nan 8.270 nan 0.000 0.484 840 R N 1.459 121.839 120.500 -0.200 0.000 2.308 840 R HA 0.070 4.410 4.340 -0.000 0.000 0.305 840 R C 1.057 177.267 176.300 -0.150 0.000 1.053 840 R CA -0.290 55.739 56.100 -0.117 0.000 0.957 840 R CB 0.740 30.966 30.300 -0.123 0.000 1.022 840 R HN 0.546 nan 8.270 nan 0.000 0.461 841 L N 4.941 126.021 121.223 -0.237 0.000 2.012 841 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 841 L C 1.979 178.617 176.870 -0.386 0.000 1.073 841 L CA 2.601 57.100 54.840 -0.568 0.000 0.748 841 L CB -0.589 41.279 42.059 -0.318 0.000 0.891 841 L HN 0.916 nan 8.230 nan 0.000 0.431 842 A N -0.426 122.271 122.820 -0.205 0.000 1.908 842 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 842 A C 1.627 179.152 177.584 -0.098 0.000 1.181 842 A CA 2.112 54.070 52.037 -0.130 0.000 0.627 842 A CB -0.575 18.369 19.000 -0.093 0.000 0.818 842 A HN 0.728 nan 8.150 nan 0.000 0.445 843 D N -4.891 115.453 120.400 -0.093 0.000 2.530 843 D HA 0.050 4.690 4.640 -0.000 0.000 0.253 843 D C 0.110 176.377 176.300 -0.055 0.000 1.338 843 D CA 0.186 54.157 54.000 -0.049 0.000 0.806 843 D CB -0.837 39.939 40.800 -0.040 0.000 1.160 843 D HN 0.178 nan 8.370 nan 0.000 0.514 844 N N 0.053 118.698 118.700 -0.091 0.000 2.753 844 N HA -0.150 4.590 4.740 -0.000 0.000 0.251 844 N C 0.128 175.453 175.510 -0.309 0.000 1.097 844 N CA 0.961 53.896 53.050 -0.192 0.000 0.786 844 N CB -1.511 36.867 38.487 -0.181 0.000 1.137 844 N HN 0.615 nan 8.380 nan 0.000 0.566 845 A N 0.514 123.227 122.820 -0.178 0.000 2.498 845 A HA 0.354 4.674 4.320 -0.000 0.000 0.239 845 A C 0.912 178.386 177.584 -0.184 0.000 1.068 845 A CA -0.111 51.852 52.037 -0.124 0.000 0.766 845 A CB 0.298 19.264 19.000 -0.056 0.000 1.003 845 A HN 0.311 nan 8.150 nan 0.000 0.497 846 L N 2.458 123.589 121.223 -0.154 0.000 2.499 846 L HA 0.089 4.429 4.340 -0.000 0.000 0.273 846 L C -0.232 176.569 176.870 -0.116 0.000 1.195 846 L CA 0.081 54.771 54.840 -0.251 0.000 0.882 846 L CB 0.213 42.057 42.059 -0.359 0.000 1.133 846 L HN 0.483 nan 8.230 nan 0.000 0.483 847 I N 2.691 123.141 120.570 -0.199 0.000 2.406 847 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 847 I C 0.252 176.319 176.117 -0.084 0.000 0.999 847 I CA -0.309 60.950 61.300 -0.069 0.000 1.124 847 I CB 1.796 39.746 38.000 -0.084 0.000 1.289 847 I HN 0.545 nan 8.210 nan 0.000 0.441 848 T N 3.971 118.597 114.554 0.120 0.000 2.885 848 T HA 0.750 5.100 4.350 -0.000 0.000 0.285 848 T C -0.421 174.396 174.700 0.194 0.000 1.019 848 T CA -0.918 61.291 62.100 0.181 0.000 1.010 848 T CB 2.624 71.702 68.868 0.350 0.000 1.022 848 T HN 0.667 nan 8.240 nan 0.000 0.466 849 R N 1.312 121.939 120.500 0.213 0.000 2.575 849 R HA 0.661 5.001 4.340 -0.000 0.000 0.293 849 R C -1.306 175.162 176.300 0.279 0.000 0.983 849 R CA -0.447 55.772 56.100 0.198 0.000 0.887 849 R CB 1.730 32.124 30.300 0.158 0.000 1.184 849 R HN 0.820 nan 8.270 nan 0.000 0.445 850 S N 2.736 118.593 115.700 0.261 0.000 2.599 850 S HA 0.603 5.073 4.470 -0.000 0.000 0.287 850 S C -1.692 173.098 174.600 0.316 0.000 1.105 850 S CA -0.712 57.670 58.200 0.303 0.000 0.899 850 S CB 1.442 64.875 63.200 0.388 0.000 1.100 850 S HN 0.594 nan 8.310 nan 0.000 0.482 851 Y N -0.434 119.993 120.300 0.213 0.000 2.597 851 Y HA 0.653 5.203 4.550 -0.000 0.000 0.340 851 Y C -1.014 174.986 175.900 0.168 0.000 1.097 851 Y CA -1.212 56.987 58.100 0.165 0.000 1.037 851 Y CB 0.788 39.399 38.460 0.250 0.000 1.305 851 Y HN 0.524 nan 8.280 nan 0.000 0.463 852 N N 2.487 121.312 118.700 0.208 0.000 2.442 852 N HA 0.135 4.875 4.740 -0.000 0.000 0.265 852 N C 0.201 175.809 175.510 0.163 0.000 1.138 852 N CA -0.012 53.095 53.050 0.096 0.000 0.956 852 N CB 0.881 39.422 38.487 0.091 0.000 1.067 852 N HN 0.962 nan 8.380 nan 0.000 0.474 853 L N 1.164 122.401 121.223 0.024 0.000 2.622 853 L HA 0.019 4.359 4.340 -0.000 0.000 0.233 853 L C 0.929 178.039 176.870 0.398 0.000 1.156 853 L CA 0.389 55.375 54.840 0.244 0.000 0.866 853 L CB -0.253 42.001 42.059 0.325 0.000 0.980 853 L HN 0.393 nan 8.230 nan 0.000 0.448 854 S N -0.925 114.907 115.700 0.220 0.000 2.503 854 S HA 0.307 4.777 4.470 -0.000 0.000 0.301 854 S C 0.631 175.345 174.600 0.189 0.000 1.087 854 S CA -0.732 57.631 58.200 0.271 0.000 1.042 854 S CB 1.186 64.504 63.200 0.196 0.000 1.043 854 S HN 0.081 nan 8.310 nan 0.000 0.489 855 N N 2.574 121.383 118.700 0.182 0.000 2.353 855 N HA 0.149 4.889 4.740 -0.000 0.000 0.185 855 N C 0.053 175.622 175.510 0.098 0.000 1.098 855 N CA 0.372 53.497 53.050 0.125 0.000 0.872 855 N CB 0.252 38.804 38.487 0.109 0.000 0.970 855 N HN 0.586 nan 8.380 nan 0.000 0.467 856 D N -0.276 120.192 120.400 0.113 0.000 2.423 856 D HA 0.145 4.785 4.640 -0.000 0.000 0.212 856 D C 0.014 176.361 176.300 0.078 0.000 1.060 856 D CA 0.564 54.618 54.000 0.091 0.000 0.872 856 D CB 1.123 41.985 40.800 0.103 0.000 1.012 856 D HN 0.090 nan 8.370 nan 0.000 0.503 857 K N 0.623 121.071 120.400 0.079 0.000 2.427 857 K HA 0.324 4.644 4.320 -0.000 0.000 0.252 857 K C -0.146 176.466 176.600 0.021 0.000 0.931 857 K CA -0.508 55.809 56.287 0.051 0.000 0.793 857 K CB 2.666 35.203 32.500 0.062 0.000 1.211 857 K HN -0.081 nan 8.250 nan 0.000 0.426 858 T N -1.648 112.915 114.554 0.015 0.000 2.766 858 T HA 0.438 4.788 4.350 -0.000 0.000 0.295 858 T C 0.482 175.175 174.700 -0.012 0.000 1.024 858 T CA -0.530 61.573 62.100 0.004 0.000 1.018 858 T CB 0.302 69.176 68.868 0.010 0.000 1.002 858 T HN 0.831 nan 8.240 nan 0.000 0.532 859 C N -0.275 119.022 119.300 -0.005 0.000 3.288 859 C HA 0.629 5.089 4.460 -0.000 0.000 0.318 859 C C -0.856 174.157 174.990 0.039 0.000 1.356 859 C CA -1.273 57.740 59.018 -0.008 0.000 1.359 859 C CB 0.697 28.400 27.740 -0.061 0.000 1.688 859 C HN 0.868 nan 8.230 nan 0.000 0.467 860 D N 0.867 121.288 120.400 0.037 0.000 2.472 860 D HA 0.296 4.936 4.640 -0.000 0.000 0.237 860 D C -0.877 175.498 176.300 0.124 0.000 1.141 860 D CA 0.715 54.753 54.000 0.064 0.000 0.875 860 D CB 0.315 41.129 40.800 0.024 0.000 1.192 860 D HN 0.589 nan 8.370 nan 0.000 0.450 861 F N 1.340 121.285 119.950 -0.008 0.000 2.430 861 F HA 0.212 4.739 4.527 -0.000 0.000 0.362 861 F C 0.454 176.264 175.800 0.016 0.000 1.103 861 F CA -0.470 57.532 58.000 0.002 0.000 1.045 861 F CB 0.799 39.804 39.000 0.009 0.000 1.276 861 F HN 0.128 nan 8.300 nan 0.000 0.444 862 S N 4.914 120.350 115.700 -0.441 0.000 2.540 862 S HA 0.108 4.578 4.470 -0.000 0.000 0.218 862 S C 0.123 174.478 174.600 -0.408 0.000 0.977 862 S CA -0.400 57.612 58.200 -0.314 0.000 0.918 862 S CB -0.167 62.922 63.200 -0.185 0.000 0.806 862 S HN 0.525 nan 8.310 nan 0.000 0.496 863 L N 3.116 123.865 121.223 -0.790 0.000 2.578 863 L HA 0.282 4.622 4.340 -0.000 0.000 0.279 863 L C 0.048 176.848 176.870 -0.117 0.000 1.227 863 L CA 0.690 55.243 54.840 -0.478 0.000 0.900 863 L CB 0.446 42.203 42.059 -0.503 0.000 1.144 863 L HN 0.093 nan 8.230 nan 0.000 0.496 864 S N 4.777 120.384 115.700 -0.155 0.000 2.575 864 S HA 0.698 5.167 4.470 -0.000 0.000 0.278 864 S C -1.248 173.152 174.600 -0.333 0.000 1.139 864 S CA -0.730 57.410 58.200 -0.100 0.000 0.954 864 S CB 0.849 64.031 63.200 -0.029 0.000 1.054 864 S HN 0.482 nan 8.310 nan 0.000 0.483 865 L N 6.089 126.991 121.223 -0.536 0.000 2.280 865 L HA 0.529 4.869 4.340 -0.000 0.000 0.287 865 L C -2.088 174.795 176.870 0.022 0.000 1.023 865 L CA -1.798 52.797 54.840 -0.409 0.000 0.819 865 L CB 1.548 43.084 42.059 -0.872 0.000 1.212 865 L HN 0.472 nan 8.230 nan 0.000 0.420 866 P HA 0.036 nan 4.420 nan 0.000 0.263 866 P C -0.331 177.054 177.300 0.141 0.000 1.195 866 P CA 0.208 63.344 63.100 0.061 0.000 0.762 866 P CB 0.414 32.099 31.700 -0.025 0.000 0.799 867 N N -0.063 118.686 118.700 0.082 0.000 2.741 867 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 867 N C -0.872 174.581 175.510 -0.095 0.000 1.115 867 N CA 1.202 54.245 53.050 -0.012 0.000 0.724 867 N CB -2.142 36.292 38.487 -0.089 0.000 1.090 867 N HN 0.557 nan 8.380 nan 0.000 0.558 868 Y N 0.077 120.460 120.300 0.139 0.000 2.485 868 Y HA 0.477 5.026 4.550 -0.000 0.000 0.345 868 Y C 0.663 176.766 175.900 0.338 0.000 0.998 868 Y CA -0.921 57.331 58.100 0.253 0.000 1.059 868 Y CB 1.285 39.956 38.460 0.352 0.000 1.234 868 Y HN -0.137 nan 8.280 nan 0.000 0.461 869 N N 1.143 120.088 118.700 0.409 0.000 2.443 869 N HA 0.656 5.396 4.740 -0.000 0.000 0.295 869 N C -0.993 174.536 175.510 0.032 0.000 1.076 869 N CA -0.570 52.610 53.050 0.216 0.000 0.919 869 N CB 1.892 40.431 38.487 0.087 0.000 1.176 869 N HN 0.723 nan 8.380 nan 0.000 0.487 870 A N 1.135 123.732 122.820 -0.372 0.000 2.312 870 A HA 0.607 4.927 4.320 -0.000 0.000 0.326 870 A C -0.039 177.267 177.584 -0.464 0.000 1.172 870 A CA -0.440 51.055 52.037 -0.903 0.000 0.821 870 A CB 0.609 18.602 19.000 -1.678 0.000 1.166 870 A HN 0.623 nan 8.150 nan 0.000 0.493 871 K N 1.719 121.867 120.400 -0.421 0.000 2.378 871 K HA 0.569 4.889 4.320 -0.000 0.000 0.252 871 K C -1.331 175.116 176.600 -0.255 0.000 0.931 871 K CA -0.429 55.704 56.287 -0.256 0.000 0.794 871 K CB 1.727 34.127 32.500 -0.168 0.000 1.181 871 K HN 0.403 nan 8.250 nan 0.000 0.425 872 V N 4.000 123.795 119.914 -0.197 0.000 2.572 872 V HA 0.262 4.382 4.120 -0.000 0.000 0.291 872 V C 0.440 176.448 176.094 -0.143 0.000 1.039 872 V CA 0.151 62.345 62.300 -0.176 0.000 1.055 872 V CB 0.602 32.334 31.823 -0.153 0.000 0.969 872 V HN 1.024 nan 8.190 nan 0.000 0.482 873 T N 1.570 116.042 114.554 -0.137 0.000 2.927 873 T HA 0.539 4.889 4.350 -0.000 0.000 0.286 873 T C -0.127 174.508 174.700 -0.108 0.000 1.040 873 T CA -0.950 61.083 62.100 -0.112 0.000 1.010 873 T CB 1.835 70.641 68.868 -0.103 0.000 1.177 873 T HN 0.678 nan 8.240 nan 0.000 0.546 874 N N 0.406 119.049 118.700 -0.095 0.000 2.431 874 N HA 0.219 4.959 4.740 -0.000 0.000 0.289 874 N C 1.056 176.505 175.510 -0.102 0.000 1.277 874 N CA -0.954 52.037 53.050 -0.098 0.000 0.972 874 N CB -0.405 38.033 38.487 -0.082 0.000 1.143 874 N HN 0.628 nan 8.380 nan 0.000 0.578 875 L N -1.004 120.154 121.223 -0.109 0.000 2.291 875 L HA 0.069 4.409 4.340 -0.000 0.000 0.214 875 L C 1.678 178.495 176.870 -0.087 0.000 1.120 875 L CA 0.673 55.445 54.840 -0.114 0.000 0.799 875 L CB -0.412 41.566 42.059 -0.136 0.000 0.925 875 L HN 0.407 nan 8.230 nan 0.000 0.446 876 L N -0.461 120.719 121.223 -0.072 0.000 2.627 876 L HA 0.027 4.367 4.340 -0.000 0.000 0.233 876 L C 0.438 177.267 176.870 -0.067 0.000 1.144 876 L CA 0.160 54.964 54.840 -0.061 0.000 0.892 876 L CB -0.444 41.589 42.059 -0.043 0.000 1.039 876 L HN 0.303 nan 8.230 nan 0.000 0.442 877 E N -1.058 119.097 120.200 -0.074 0.000 3.070 877 E HA -0.163 4.187 4.350 -0.000 0.000 0.285 877 E C -0.246 176.310 176.600 -0.074 0.000 0.972 877 E CA 0.326 56.680 56.400 -0.077 0.000 0.915 877 E CB -0.792 28.862 29.700 -0.077 0.000 1.466 877 E HN 0.214 nan 8.360 nan 0.000 0.432 878 K N 1.693 122.052 120.400 -0.068 0.000 2.172 878 K HA 0.207 4.527 4.320 -0.000 0.000 0.276 878 K C -0.156 176.402 176.600 -0.069 0.000 1.013 878 K CA -0.478 55.771 56.287 -0.063 0.000 0.913 878 K CB 0.671 33.140 32.500 -0.052 0.000 1.055 878 K HN -0.000 nan 8.250 nan 0.000 0.461 879 D N 1.004 121.363 120.400 -0.067 0.000 2.455 879 D HA -0.006 4.634 4.640 -0.000 0.000 0.241 879 D C 0.626 176.884 176.300 -0.069 0.000 1.138 879 D CA 0.369 54.325 54.000 -0.074 0.000 0.877 879 D CB 0.645 41.405 40.800 -0.067 0.000 1.187 879 D HN 0.482 nan 8.370 nan 0.000 0.451 880 S N 1.369 117.022 115.700 -0.078 0.000 2.745 880 S HA 0.357 4.827 4.470 -0.000 0.000 0.292 880 S C 0.735 175.294 174.600 -0.068 0.000 1.133 880 S CA -0.725 57.432 58.200 -0.072 0.000 0.998 880 S CB 1.917 65.069 63.200 -0.079 0.000 1.087 880 S HN 0.314 nan 8.310 nan 0.000 0.551 881 K N -0.305 120.059 120.400 -0.060 0.000 2.393 881 K HA 0.135 4.455 4.320 -0.000 0.000 0.193 881 K C 0.784 177.350 176.600 -0.058 0.000 1.026 881 K CA -0.004 56.251 56.287 -0.054 0.000 1.064 881 K CB 0.031 32.504 32.500 -0.044 0.000 0.833 881 K HN 0.591 nan 8.250 nan 0.000 0.521 882 Q N 2.064 121.823 119.800 -0.067 0.000 2.364 882 Q HA -0.001 4.339 4.340 -0.000 0.000 0.267 882 Q C -0.401 175.553 176.000 -0.077 0.000 0.999 882 Q CA -0.076 55.684 55.803 -0.071 0.000 0.886 882 Q CB 0.809 29.498 28.738 -0.081 0.000 1.243 882 Q HN 0.151 nan 8.270 nan 0.000 0.415 883 S N 2.267 117.927 115.700 -0.067 0.000 2.592 883 S HA 0.209 4.679 4.470 -0.000 0.000 0.271 883 S C -0.213 174.340 174.600 -0.079 0.000 1.326 883 S CA -0.814 57.346 58.200 -0.066 0.000 1.024 883 S CB 1.192 64.364 63.200 -0.047 0.000 0.921 883 S HN 0.588 nan 8.310 nan 0.000 0.527 884 T N 4.577 119.081 114.554 -0.083 0.000 2.817 884 T HA 0.299 4.649 4.350 -0.000 0.000 0.295 884 T C -1.816 172.860 174.700 -0.040 0.000 0.958 884 T CA -0.583 61.465 62.100 -0.087 0.000 1.157 884 T CB -0.330 68.482 68.868 -0.093 0.000 0.898 884 T HN 0.613 nan 8.240 nan 0.000 0.536 885 P HA 0.250 nan 4.420 nan 0.000 0.276 885 P C 0.428 177.780 177.300 0.087 0.000 1.244 885 P CA -0.615 62.472 63.100 -0.022 0.000 0.801 885 P CB 0.902 32.548 31.700 -0.089 0.000 1.006 886 S N -0.911 114.844 115.700 0.091 0.000 2.524 886 S HA 0.119 4.589 4.470 -0.000 0.000 0.215 886 S C 0.551 175.247 174.600 0.159 0.000 0.986 886 S CA -0.164 58.121 58.200 0.142 0.000 0.911 886 S CB -0.018 63.229 63.200 0.079 0.000 0.805 886 S HN 0.532 nan 8.310 nan 0.000 0.501 887 Q N 0.279 120.145 119.800 0.110 0.000 2.451 887 Q HA 0.577 4.917 4.340 -0.000 0.000 0.281 887 Q C -1.548 174.470 176.000 0.031 0.000 1.099 887 Q CA -0.728 55.131 55.803 0.094 0.000 0.806 887 Q CB 2.231 30.996 28.738 0.046 0.000 1.419 887 Q HN 0.258 nan 8.270 nan 0.000 0.427 888 L N 1.068 122.311 121.223 0.032 0.000 2.295 888 L HA 0.525 4.865 4.340 -0.000 0.000 0.285 888 L C 0.717 177.576 176.870 -0.018 0.000 1.035 888 L CA -0.655 54.162 54.840 -0.038 0.000 0.806 888 L CB 1.203 43.252 42.059 -0.018 0.000 1.214 888 L HN 0.748 nan 8.230 nan 0.000 0.426 889 G N 2.266 111.046 108.800 -0.033 0.000 2.636 889 G HA2 0.108 4.068 3.960 -0.000 0.000 0.246 889 G HA3 0.108 4.068 3.960 -0.000 0.000 0.246 889 G C -0.252 174.650 174.900 0.005 0.000 1.216 889 G CA -0.602 44.489 45.100 -0.015 0.000 0.854 889 G HN 0.605 nan 8.290 nan 0.000 0.572 890 K N 0.403 120.813 120.400 0.016 0.000 2.504 890 K HA 0.250 4.570 4.320 -0.000 0.000 0.278 890 K C 1.116 177.744 176.600 0.046 0.000 1.025 890 K CA 0.898 57.207 56.287 0.037 0.000 1.093 890 K CB 0.304 32.827 32.500 0.038 0.000 0.873 890 K HN 1.087 nan 8.250 nan 0.000 0.483 891 A N 2.052 124.924 122.820 0.086 0.000 2.816 891 A HA -0.265 4.055 4.320 -0.000 0.000 0.270 891 A C 0.328 177.959 177.584 0.079 0.000 1.413 891 A CA 1.417 53.522 52.037 0.114 0.000 0.866 891 A CB -1.826 17.223 19.000 0.081 0.000 1.032 891 A HN 0.834 nan 8.150 nan 0.000 0.642 892 E N -0.367 119.863 120.200 0.050 0.000 2.344 892 E HA 0.460 4.810 4.350 -0.000 0.000 0.270 892 E C -0.199 176.412 176.600 0.017 0.000 1.021 892 E CA -0.392 56.003 56.400 -0.009 0.000 0.887 892 E CB 0.279 29.945 29.700 -0.056 0.000 0.997 892 E HN 0.533 nan 8.360 nan 0.000 0.429 893 I N 5.611 126.140 120.570 -0.069 0.000 2.339 893 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 893 I C -0.699 175.323 176.117 -0.159 0.000 0.994 893 I CA -0.809 60.421 61.300 -0.117 0.000 1.191 893 I CB 1.103 38.877 38.000 -0.377 0.000 1.343 893 I HN 0.413 nan 8.210 nan 0.000 0.458 894 L N 6.959 128.103 121.223 -0.132 0.000 2.319 894 L HA 0.543 4.883 4.340 -0.000 0.000 0.281 894 L C -0.399 176.403 176.870 -0.113 0.000 1.005 894 L CA 0.231 54.956 54.840 -0.191 0.000 0.828 894 L CB 1.637 43.471 42.059 -0.375 0.000 1.227 894 L HN 0.485 nan 8.230 nan 0.000 0.415 895 T N 6.190 120.673 114.554 -0.118 0.000 2.824 895 T HA 0.690 5.040 4.350 -0.000 0.000 0.280 895 T C -0.439 174.206 174.700 -0.093 0.000 0.995 895 T CA -0.354 61.705 62.100 -0.069 0.000 1.009 895 T CB 1.051 69.866 68.868 -0.087 0.000 0.955 895 T HN 0.439 nan 8.240 nan 0.000 0.452 896 L N 2.034 123.225 121.223 -0.053 0.000 2.408 896 L HA 0.763 5.103 4.340 -0.000 0.000 0.268 896 L C -0.199 176.556 176.870 -0.192 0.000 0.986 896 L CA -1.268 53.456 54.840 -0.193 0.000 0.820 896 L CB 1.931 43.837 42.059 -0.256 0.000 1.303 896 L HN 0.713 nan 8.230 nan 0.000 0.411 897 A N 2.116 124.768 122.820 -0.280 0.000 2.305 897 A HA 0.719 5.039 4.320 -0.000 0.000 0.322 897 A C -1.833 175.595 177.584 -0.260 0.000 1.187 897 A CA -0.259 51.676 52.037 -0.171 0.000 0.825 897 A CB 0.459 19.389 19.000 -0.117 0.000 1.164 897 A HN 0.655 nan 8.150 nan 0.000 0.498 898 W N 1.950 123.211 121.300 -0.065 0.000 2.532 898 W HA 0.589 5.249 4.660 -0.000 0.000 0.321 898 W C 0.014 176.626 176.519 0.156 0.000 1.037 898 W CA -0.275 57.077 57.345 0.012 0.000 1.220 898 W CB 1.822 31.191 29.460 -0.151 0.000 1.361 898 W HN 0.541 nan 8.180 nan 0.000 0.468 899 K N 2.709 123.365 120.400 0.426 0.000 2.316 899 K HA 0.389 4.709 4.320 -0.000 0.000 0.251 899 K C -0.139 176.619 176.600 0.262 0.000 0.934 899 K CA -1.309 55.175 56.287 0.328 0.000 0.802 899 K CB 1.753 34.335 32.500 0.136 0.000 1.171 899 K HN 0.060 nan 8.250 nan 0.000 0.426 900 K N 2.491 122.910 120.400 0.032 0.000 2.527 900 K HA -0.038 4.282 4.320 -0.000 0.000 0.278 900 K C 0.388 176.947 176.600 -0.070 0.000 0.981 900 K CA 0.543 56.697 56.287 -0.220 0.000 1.009 900 K CB 0.362 32.738 32.500 -0.207 0.000 0.895 900 K HN 0.569 nan 8.250 nan 0.000 0.493 901 Q N 0.000 119.752 119.800 -0.080 0.000 2.315 901 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 901 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 901 Q CB 0.000 28.735 28.738 -0.006 0.000 1.108 901 Q HN 0.000 nan 8.270 nan 0.000 0.481