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 3nc1_1_A DATA FIRST_RESID 10 DATA SEQUENCE DHAARQLLDF SQKLDINLLD NVVNCLYHGE GAQQRMAQEV LTHLKEHPDA DATA SEQUENCE WTRVDTILEF SQNMNTKYYG LQILENVIKT RWKILPRNQC EGIKKYVVGL DATA SEQUENCE IIKTSSDPTC VEKEKVYIGK LNMILVQILK QEWPKHWPTF ISDIVGASRT DATA SEQUENCE SESLCQNNMV ILKLLSEEVF DFSSGQITQV KAKHLKDSMC NEFSQIFQLC DATA SEQUENCE QFVMENSQNA PLVHATLETL LRFLNWIPLG YIFETKLIST LIYKFLNVPM DATA SEQUENCE FRNVSLKCLT EIAGVSVSQY EEQFETLFTL TMMQLKQMLP LNTNIRLAYS DATA SEQUENCE NGKDDEQNFI QNLSLFLCTF LKEHGQLLEK RLNLREALME ALHYMLLVSE DATA SEQUENCE VEETEIFKIC LEYWNHLAAE LYRESPFSTS XXXXXXXXXX XDIPPRRQLY DATA SEQUENCE LTVLSKVRLL MVSRMAKPEE VLVVENDQGE VVREFMKDTD SINLYKNMRE DATA SEQUENCE TLVYLTHLDY VDTEIIMTKK LQNQVNGTEW SWKNLNTLCW AIGSISGAMH DATA SEQUENCE EEDEKRFLVT VIKDLLGLCE QKRGKDNKAI IASNIMYIVG QYPRFLRAHW DATA SEQUENCE KFLKTVVNKL FEFMHETHDG VQDMACDTFI KIAQKCRRHF VQVQVGEVMP DATA SEQUENCE FIDEILNNIN TIICDLQPQQ VHTFYEAVGY MIGAQTDQTV QEHLIEKYML DATA SEQUENCE LPNQVWDSII QQATKNVDIL KDPETVKQLG SILKTNVRAC KAVGHPFVIQ DATA SEQUENCE LGRIYLDMLN VYKCLSENIS AAIQANGEMV TKQPLIRSMR TVKRETLKLI DATA SEQUENCE SGWVSRSNDP QMVAENFVPP LLDAVLIDYQ RNVPAAREPE VLSTMAIIVN DATA SEQUENCE KLGGHITAEI PQIFDAVFEC TLNMINKDFE EYPEHRTNFF LLLQAVNSHC DATA SEQUENCE FPAFLAIPPA QFKLVLDSII WAFKHTMRNV ADTGLQILFT LLQNVAQEEA DATA SEQUENCE AAQSFYQTYF CDILQHIFSV VTDTSHTAGL TMHASILAYM FNLVEEGKIS DATA SEQUENCE TPLNPXXXXN NQMFIQDYVA NLLKSAFPHL QDAQVKLFVT GLFSLNQDIP DATA SEQUENCE AFKEHLRDFL VQIKEFAGED TSDLFLEERE TALRQAQEEK H 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.338 176.300 0.063 0.000 2.045 10 D CA 0.000 54.013 54.000 0.022 0.000 0.868 10 D CB 0.000 40.838 40.800 0.063 0.000 0.688 11 H N 0.237 119.289 119.070 -0.030 0.000 2.089 11 H HA 0.597 5.155 4.556 0.003 0.000 0.206 11 H C 0.573 175.891 175.328 -0.016 0.000 0.872 11 H CA 0.435 56.467 56.048 -0.028 0.000 0.979 11 H CB 0.229 29.966 29.762 -0.042 0.000 1.266 11 H HN 0.178 nan 8.280 nan 0.000 0.389 12 A N 2.289 124.838 122.820 -0.453 0.000 2.450 12 A HA 0.621 4.943 4.320 0.003 0.000 0.255 12 A C 0.309 177.816 177.584 -0.129 0.000 1.096 12 A CA 0.341 52.258 52.037 -0.200 0.000 0.778 12 A CB -0.121 18.740 19.000 -0.231 0.000 1.031 12 A HN 0.751 nan 8.150 nan 0.000 0.494 13 A N 1.885 124.672 122.820 -0.054 0.000 2.344 13 A HA 0.692 5.014 4.320 0.003 0.000 0.307 13 A C 1.107 178.677 177.584 -0.023 0.000 1.151 13 A CA -0.656 51.358 52.037 -0.038 0.000 0.842 13 A CB 0.618 19.605 19.000 -0.020 0.000 1.350 13 A HN 0.825 nan 8.150 nan 0.000 0.459 14 R N 0.502 120.991 120.500 -0.019 0.000 2.139 14 R HA -0.123 4.219 4.340 0.003 0.000 0.243 14 R C 0.894 177.190 176.300 -0.006 0.000 1.145 14 R CA 2.003 58.095 56.100 -0.013 0.000 0.976 14 R CB -0.408 29.884 30.300 -0.013 0.000 0.866 14 R HN 0.762 nan 8.270 nan 0.000 0.449 15 Q N 1.632 121.431 119.800 -0.002 0.000 2.388 15 Q HA 0.026 4.368 4.340 0.003 0.000 0.246 15 Q C -0.769 175.240 176.000 0.015 0.000 1.246 15 Q CA 0.580 56.386 55.803 0.006 0.000 0.895 15 Q CB -0.105 28.637 28.738 0.007 0.000 1.510 15 Q HN 0.284 nan 8.270 nan 0.000 0.503 16 L N 4.027 125.263 121.223 0.021 0.000 2.404 16 L HA 0.426 4.768 4.340 0.003 0.000 0.272 16 L C -0.158 176.744 176.870 0.053 0.000 0.980 16 L CA -0.855 54.006 54.840 0.035 0.000 0.836 16 L CB 1.592 43.670 42.059 0.032 0.000 1.238 16 L HN 0.474 nan 8.230 nan 0.000 0.408 17 L N 4.130 125.389 121.223 0.061 0.000 2.455 17 L HA 0.177 4.519 4.340 0.003 0.000 0.272 17 L C -0.020 176.916 176.870 0.109 0.000 1.174 17 L CA 0.181 55.071 54.840 0.083 0.000 0.869 17 L CB 0.225 42.327 42.059 0.072 0.000 1.130 17 L HN 0.704 nan 8.230 nan 0.000 0.474 18 D N 2.737 123.233 120.400 0.159 0.000 3.279 18 D HA 0.178 4.820 4.640 0.003 0.000 0.336 18 D C -0.745 175.767 176.300 0.354 0.000 1.512 18 D CA -0.180 53.945 54.000 0.208 0.000 0.754 18 D CB -0.037 40.883 40.800 0.199 0.000 1.278 18 D HN 0.272 nan 8.370 nan 0.000 0.553 19 F N 1.514 121.535 119.950 0.118 0.000 2.672 19 F HA 0.373 4.902 4.527 0.003 0.000 0.311 19 F C 0.053 175.910 175.800 0.094 0.000 1.113 19 F CA 0.179 58.266 58.000 0.145 0.000 0.996 19 F CB 1.589 40.669 39.000 0.132 0.000 1.286 19 F HN 0.137 nan 8.300 nan 0.000 0.441 20 S N 1.699 117.019 115.700 -0.633 0.000 3.521 20 S HA -0.248 4.224 4.470 0.003 0.000 0.328 20 S C -0.553 173.972 174.600 -0.125 0.000 1.165 20 S CA 1.646 59.607 58.200 -0.397 0.000 0.941 20 S CB -2.264 60.796 63.200 -0.233 0.000 0.951 20 S HN 0.925 nan 8.310 nan 0.000 0.539 21 Q N -0.390 119.365 119.800 -0.075 0.000 2.707 21 Q HA 0.658 5.000 4.340 0.003 0.000 0.307 21 Q C -1.458 174.541 176.000 -0.002 0.000 0.934 21 Q CA -1.192 54.602 55.803 -0.015 0.000 0.753 21 Q CB 1.376 30.127 28.738 0.021 0.000 1.478 21 Q HN 0.354 nan 8.270 nan 0.000 0.458 22 K N 1.564 121.970 120.400 0.009 0.000 2.705 22 K HA 0.395 4.717 4.320 0.003 0.000 0.238 22 K C -1.274 175.336 176.600 0.017 0.000 0.996 22 K CA -0.088 56.208 56.287 0.014 0.000 1.007 22 K CB 0.925 33.431 32.500 0.010 0.000 1.206 22 K HN 0.368 nan 8.250 nan 0.000 0.488 23 L N 2.902 124.141 121.223 0.026 0.000 2.719 23 L HA 0.116 4.458 4.340 0.003 0.000 0.236 23 L C 1.175 178.060 176.870 0.024 0.000 1.221 23 L CA -0.298 54.556 54.840 0.024 0.000 1.048 23 L CB 0.240 42.318 42.059 0.032 0.000 1.364 23 L HN 0.621 nan 8.230 nan 0.000 0.447 24 D N 1.993 122.402 120.400 0.015 0.000 2.092 24 D HA -0.225 4.417 4.640 0.003 0.000 0.193 24 D C 2.050 178.355 176.300 0.009 0.000 0.994 24 D CA 1.847 55.856 54.000 0.015 0.000 0.828 24 D CB 0.258 41.058 40.800 -0.000 0.000 0.963 24 D HN 0.611 nan 8.370 nan 0.000 0.450 25 I N -0.396 120.171 120.570 -0.004 0.000 2.502 25 I HA -0.210 3.962 4.170 0.003 0.000 0.258 25 I C 1.627 177.742 176.117 -0.003 0.000 1.172 25 I CA 1.672 62.964 61.300 -0.013 0.000 1.430 25 I CB -0.588 37.398 38.000 -0.022 0.000 1.086 25 I HN -0.008 nan 8.210 nan 0.000 0.440 26 N N 1.765 120.472 118.700 0.012 0.000 2.322 26 N HA -0.087 4.655 4.740 0.003 0.000 0.181 26 N C 1.741 177.273 175.510 0.036 0.000 1.088 26 N CA 0.338 53.402 53.050 0.023 0.000 0.885 26 N CB -0.305 38.200 38.487 0.031 0.000 1.013 26 N HN 0.419 nan 8.380 nan 0.000 0.472 27 L N 0.858 122.103 121.223 0.036 0.000 2.127 27 L HA -0.037 4.305 4.340 0.003 0.000 0.211 27 L C 1.726 178.615 176.870 0.032 0.000 1.089 27 L CA 1.178 56.042 54.840 0.040 0.000 0.757 27 L CB -0.634 41.461 42.059 0.060 0.000 0.899 27 L HN 0.026 nan 8.230 nan 0.000 0.434 28 L N -0.454 120.789 121.223 0.033 0.000 2.017 28 L HA -0.216 4.126 4.340 0.003 0.000 0.208 28 L C 2.112 179.003 176.870 0.034 0.000 1.073 28 L CA 1.873 56.731 54.840 0.030 0.000 0.745 28 L CB -1.391 40.677 42.059 0.015 0.000 0.894 28 L HN 0.280 nan 8.230 nan 0.000 0.432 29 D N -0.968 119.456 120.400 0.039 0.000 2.311 29 D HA -0.167 4.475 4.640 0.003 0.000 0.212 29 D C 1.827 178.207 176.300 0.133 0.000 0.972 29 D CA 0.817 54.864 54.000 0.079 0.000 0.887 29 D CB -0.111 40.732 40.800 0.072 0.000 0.915 29 D HN 0.407 nan 8.370 nan 0.000 0.497 30 N N -0.789 117.955 118.700 0.073 0.000 2.148 30 N HA -0.088 4.654 4.740 0.003 0.000 0.186 30 N C 1.926 177.456 175.510 0.033 0.000 1.031 30 N CA 1.216 54.291 53.050 0.042 0.000 0.848 30 N CB 0.035 38.515 38.487 -0.010 0.000 1.005 30 N HN 0.108 nan 8.380 nan 0.000 0.427 31 V N -1.310 118.613 119.914 0.014 0.000 2.427 31 V HA -0.049 4.073 4.120 0.003 0.000 0.248 31 V C 1.667 177.830 176.094 0.116 0.000 1.051 31 V CA 1.302 63.621 62.300 0.032 0.000 1.048 31 V CB -0.847 30.991 31.823 0.026 0.000 0.666 31 V HN 0.057 nan 8.190 nan 0.000 0.456 32 V N 1.497 121.474 119.914 0.106 0.000 3.510 32 V HA -0.006 4.116 4.120 0.003 0.000 0.270 32 V C 2.193 178.432 176.094 0.242 0.000 1.201 32 V CA 1.805 64.173 62.300 0.113 0.000 1.166 32 V CB -1.328 30.485 31.823 -0.018 0.000 0.825 32 V HN 0.764 nan 8.190 nan 0.000 0.484 33 N N -1.462 117.364 118.700 0.210 0.000 2.197 33 N HA -0.013 4.729 4.740 0.003 0.000 0.201 33 N C 1.507 177.103 175.510 0.144 0.000 1.148 33 N CA 0.687 53.870 53.050 0.223 0.000 0.883 33 N CB 0.793 39.391 38.487 0.184 0.000 1.012 33 N HN 0.500 nan 8.380 nan 0.000 0.507 34 C N -0.128 119.242 119.300 0.117 0.000 2.480 34 C HA 0.349 4.811 4.460 0.003 0.000 0.304 34 C C 2.098 177.125 174.990 0.063 0.000 1.399 34 C CA -0.011 59.046 59.018 0.065 0.000 1.900 34 C CB -0.870 26.885 27.740 0.026 0.000 2.194 34 C HN 0.335 nan 8.230 nan 0.000 0.550 35 L N -0.493 120.789 121.223 0.099 0.000 2.591 35 L HA 0.230 4.572 4.340 0.003 0.000 0.228 35 L C 0.761 177.566 176.870 -0.109 0.000 1.133 35 L CA 0.417 55.266 54.840 0.016 0.000 0.880 35 L CB -0.271 41.818 42.059 0.049 0.000 1.033 35 L HN 0.455 nan 8.230 nan 0.000 0.450 36 Y N -2.745 117.540 120.300 -0.025 0.000 2.741 36 Y HA 0.219 4.771 4.550 0.003 0.000 0.208 36 Y C 2.145 178.011 175.900 -0.057 0.000 2.219 36 Y CA -0.662 57.383 58.100 -0.092 0.000 1.141 36 Y CB -0.198 38.157 38.460 -0.175 0.000 1.443 36 Y HN -0.203 nan 8.280 nan 0.000 0.425 37 H N 0.469 119.695 119.070 0.260 0.000 2.375 37 H HA -0.173 4.385 4.556 0.003 0.000 0.289 37 H C 0.948 176.334 175.328 0.096 0.000 1.121 37 H CA 1.420 57.559 56.048 0.151 0.000 1.207 37 H CB -1.161 28.692 29.762 0.151 0.000 1.355 37 H HN 0.551 nan 8.280 nan 0.000 0.486 38 G N 1.402 110.326 108.800 0.205 0.000 2.148 38 G HA2 -0.111 3.851 3.960 0.003 0.000 0.275 38 G HA3 -0.111 3.851 3.960 0.003 0.000 0.275 38 G C 0.613 175.555 174.900 0.069 0.000 0.979 38 G CA 0.150 45.314 45.100 0.107 0.000 1.154 38 G HN 0.537 nan 8.290 nan 0.000 0.377 39 E N 1.607 121.843 120.200 0.061 0.000 2.385 39 E HA 0.220 4.572 4.350 0.003 0.000 0.194 39 E C 1.778 178.392 176.600 0.023 0.000 1.013 39 E CA 0.555 56.979 56.400 0.040 0.000 0.866 39 E CB 0.556 30.282 29.700 0.043 0.000 0.832 39 E HN 0.679 nan 8.360 nan 0.000 0.500 40 G N 0.459 109.271 108.800 0.021 0.000 3.594 40 G HA2 -0.034 3.928 3.960 0.003 0.000 0.107 40 G HA3 -0.034 3.928 3.960 0.003 0.000 0.107 40 G C 1.150 176.055 174.900 0.008 0.000 1.307 40 G CA 0.006 45.113 45.100 0.012 0.000 1.089 40 G HN 0.164 nan 8.290 nan 0.000 0.364 41 A N 0.230 123.052 122.820 0.004 0.000 1.986 41 A HA -0.022 4.300 4.320 0.003 0.000 0.220 41 A C 2.220 179.796 177.584 -0.013 0.000 1.171 41 A CA 2.561 54.595 52.037 -0.004 0.000 0.640 41 A CB -0.456 18.540 19.000 -0.008 0.000 0.811 41 A HN 0.391 nan 8.150 nan 0.000 0.451 42 Q N -0.176 119.616 119.800 -0.013 0.000 2.020 42 Q HA -0.204 4.138 4.340 0.003 0.000 0.198 42 Q C 2.345 178.337 176.000 -0.013 0.000 0.974 42 Q CA 1.947 57.732 55.803 -0.030 0.000 0.829 42 Q CB -0.649 28.075 28.738 -0.023 0.000 0.894 42 Q HN 1.018 nan 8.270 nan 0.000 0.433 43 Q N -0.049 119.757 119.800 0.009 0.000 2.245 43 Q HA -0.046 4.296 4.340 0.003 0.000 0.201 43 Q C 1.933 177.938 176.000 0.008 0.000 0.955 43 Q CA 0.790 56.601 55.803 0.014 0.000 0.870 43 Q CB -0.252 28.500 28.738 0.023 0.000 0.945 43 Q HN -0.021 nan 8.270 nan 0.000 0.461 44 R N 1.228 121.732 120.500 0.007 0.000 2.127 44 R HA -0.051 4.291 4.340 0.003 0.000 0.238 44 R C 1.985 178.292 176.300 0.011 0.000 1.134 44 R CA 1.879 57.985 56.100 0.010 0.000 0.975 44 R CB -0.408 29.897 30.300 0.008 0.000 0.865 44 R HN 0.547 nan 8.270 nan 0.000 0.447 45 M N -1.343 118.259 119.600 0.003 0.000 2.299 45 M HA 0.070 4.552 4.480 0.003 0.000 0.264 45 M C 1.913 178.215 176.300 0.004 0.000 1.095 45 M CA 1.589 56.891 55.300 0.003 0.000 1.165 45 M CB -0.171 32.422 32.600 -0.011 0.000 1.349 45 M HN 0.167 nan 8.290 nan 0.000 0.446 46 A N 1.373 124.190 122.820 -0.005 0.000 1.927 46 A HA -0.307 4.015 4.320 0.003 0.000 0.220 46 A C 1.912 179.486 177.584 -0.016 0.000 1.185 46 A CA 2.480 54.511 52.037 -0.010 0.000 0.639 46 A CB -1.085 17.914 19.000 -0.002 0.000 0.820 46 A HN 0.852 nan 8.150 nan 0.000 0.451 47 Q N -0.930 118.869 119.800 -0.001 0.000 2.123 47 Q HA -0.114 4.228 4.340 0.003 0.000 0.199 47 Q C 1.808 177.826 176.000 0.030 0.000 0.966 47 Q CA 1.615 57.421 55.803 0.005 0.000 0.845 47 Q CB -0.348 28.400 28.738 0.016 0.000 0.907 47 Q HN 0.553 nan 8.270 nan 0.000 0.439 48 E N 1.210 121.436 120.200 0.043 0.000 2.031 48 E HA -0.135 4.217 4.350 0.003 0.000 0.193 48 E C 1.953 178.618 176.600 0.109 0.000 0.994 48 E CA 1.646 58.094 56.400 0.080 0.000 0.800 48 E CB -0.342 29.401 29.700 0.072 0.000 0.752 48 E HN 0.254 nan 8.360 nan 0.000 0.447 49 V N 0.816 120.772 119.914 0.071 0.000 2.490 49 V HA -0.225 3.897 4.120 0.003 0.000 0.250 49 V C 2.380 178.535 176.094 0.101 0.000 1.061 49 V CA 1.611 63.960 62.300 0.081 0.000 1.064 49 V CB -0.464 31.385 31.823 0.043 0.000 0.670 49 V HN 0.302 nan 8.190 nan 0.000 0.461 50 L N -0.863 120.385 121.223 0.042 0.000 2.209 50 L HA -0.065 4.277 4.340 0.003 0.000 0.207 50 L C 2.576 179.561 176.870 0.193 0.000 1.094 50 L CA 1.313 56.159 54.840 0.010 0.000 0.790 50 L CB -0.827 41.055 42.059 -0.296 0.000 0.932 50 L HN 0.292 nan 8.230 nan 0.000 0.447 51 T N -2.076 112.563 114.554 0.142 0.000 2.746 51 T HA -0.189 4.163 4.350 0.003 0.000 0.267 51 T C 1.756 176.524 174.700 0.113 0.000 1.039 51 T CA 1.122 63.298 62.100 0.127 0.000 1.142 51 T CB -0.243 68.667 68.868 0.070 0.000 0.866 51 T HN 0.291 nan 8.240 nan 0.000 0.444 52 H N 0.181 119.317 119.070 0.110 0.000 2.547 52 H HA 0.189 4.747 4.556 0.003 0.000 0.266 52 H C 1.626 177.047 175.328 0.156 0.000 0.988 52 H CA 0.324 56.436 56.048 0.106 0.000 1.147 52 H CB 0.136 29.942 29.762 0.072 0.000 1.365 52 H HN 0.185 nan 8.280 nan 0.000 0.589 53 L N 0.221 121.621 121.223 0.295 0.000 2.529 53 L HA 0.089 4.431 4.340 0.003 0.000 0.223 53 L C 1.777 178.774 176.870 0.213 0.000 1.113 53 L CA 0.829 55.851 54.840 0.303 0.000 0.861 53 L CB 0.031 42.285 42.059 0.325 0.000 1.012 53 L HN -0.118 nan 8.230 nan 0.000 0.461 54 K N 0.027 120.522 120.400 0.159 0.000 2.044 54 K HA -0.060 4.262 4.320 0.003 0.000 0.204 54 K C 1.735 178.357 176.600 0.038 0.000 1.049 54 K CA 1.379 57.690 56.287 0.040 0.000 0.945 54 K CB -0.091 32.420 32.500 0.018 0.000 0.724 54 K HN 0.394 nan 8.250 nan 0.000 0.440 55 E N 1.086 121.322 120.200 0.059 0.000 2.358 55 E HA -0.149 4.203 4.350 0.003 0.000 0.195 55 E C 0.258 176.958 176.600 0.166 0.000 1.010 55 E CA 0.485 56.923 56.400 0.064 0.000 0.856 55 E CB -0.726 28.981 29.700 0.013 0.000 0.795 55 E HN 0.436 nan 8.360 nan 0.000 0.504 56 H N 3.290 122.417 119.070 0.095 0.000 3.226 56 H HA 0.068 4.626 4.556 0.003 0.000 0.260 56 H C -1.939 173.456 175.328 0.112 0.000 0.967 56 H CA -1.765 54.359 56.048 0.126 0.000 1.435 56 H CB 0.320 30.180 29.762 0.164 0.000 1.533 56 H HN -0.111 nan 8.280 nan 0.000 0.525 57 P HA -0.013 nan 4.420 nan 0.000 0.260 57 P C -1.462 175.898 177.300 0.099 0.000 1.207 57 P CA 0.509 63.727 63.100 0.196 0.000 0.780 57 P CB 0.218 32.045 31.700 0.213 0.000 0.789 58 D N 1.923 122.334 120.400 0.018 0.000 2.085 58 D HA 0.211 4.853 4.640 0.003 0.000 0.147 58 D C 0.115 176.414 176.300 -0.002 0.000 1.121 58 D CA -0.712 53.288 54.000 0.000 0.000 0.941 58 D CB -0.185 40.576 40.800 -0.066 0.000 2.846 58 D HN 0.134 nan 8.370 nan 0.000 0.517 59 A N 1.984 124.828 122.820 0.040 0.000 1.878 59 A HA -0.014 4.308 4.320 0.003 0.000 0.213 59 A C 1.608 179.213 177.584 0.036 0.000 1.192 59 A CA 0.758 52.809 52.037 0.024 0.000 0.619 59 A CB -0.783 18.242 19.000 0.042 0.000 0.837 59 A HN 0.751 nan 8.150 nan 0.000 0.446 60 W N 1.334 122.581 121.300 -0.089 0.000 2.359 60 W HA -0.190 4.472 4.660 0.003 0.000 0.275 60 W C 1.774 178.231 176.519 -0.103 0.000 1.217 60 W CA 2.097 59.380 57.345 -0.103 0.000 1.196 60 W CB -0.651 28.753 29.460 -0.094 0.000 1.129 60 W HN 0.354 nan 8.180 nan 0.000 0.566 61 T N 1.511 116.069 114.554 0.008 0.000 2.897 61 T HA -0.250 4.102 4.350 0.003 0.000 0.271 61 T C 1.911 176.508 174.700 -0.172 0.000 1.084 61 T CA 2.198 64.257 62.100 -0.068 0.000 1.123 61 T CB -0.157 68.675 68.868 -0.060 0.000 0.865 61 T HN 0.466 nan 8.240 nan 0.000 0.496 62 R N 0.137 120.513 120.500 -0.206 0.000 2.193 62 R HA 0.175 4.517 4.340 0.003 0.000 0.213 62 R C 2.071 178.223 176.300 -0.248 0.000 1.055 62 R CA 0.764 56.751 56.100 -0.189 0.000 0.995 62 R CB -0.925 29.276 30.300 -0.164 0.000 0.893 62 R HN 0.250 nan 8.270 nan 0.000 0.459 63 V N 2.223 121.858 119.914 -0.464 0.000 2.282 63 V HA -0.289 3.833 4.120 0.003 0.000 0.249 63 V C 1.370 177.268 176.094 -0.326 0.000 1.057 63 V CA 2.371 64.324 62.300 -0.578 0.000 1.032 63 V CB -0.536 30.617 31.823 -1.117 0.000 0.645 63 V HN 0.391 nan 8.190 nan 0.000 0.447 64 D N -0.505 119.729 120.400 -0.278 0.000 2.269 64 D HA -0.094 4.548 4.640 0.003 0.000 0.208 64 D C 2.189 178.465 176.300 -0.039 0.000 0.963 64 D CA 1.387 55.310 54.000 -0.128 0.000 0.864 64 D CB -0.354 40.389 40.800 -0.095 0.000 0.936 64 D HN 0.441 nan 8.370 nan 0.000 0.505 65 T N 0.667 115.201 114.554 -0.033 0.000 2.833 65 T HA -0.053 4.299 4.350 0.003 0.000 0.269 65 T C 2.108 176.872 174.700 0.108 0.000 1.054 65 T CA 0.780 62.904 62.100 0.040 0.000 1.135 65 T CB 0.148 69.036 68.868 0.035 0.000 0.869 65 T HN 0.244 nan 8.240 nan 0.000 0.466 66 I N -0.709 119.931 120.570 0.116 0.000 3.445 66 I HA 0.164 4.336 4.170 0.003 0.000 0.288 66 I C 1.998 178.252 176.117 0.228 0.000 1.198 66 I CA 0.060 61.489 61.300 0.215 0.000 1.417 66 I CB -0.126 38.017 38.000 0.239 0.000 1.205 66 I HN 0.076 nan 8.210 nan 0.000 0.448 67 L N 1.474 122.781 121.223 0.140 0.000 2.043 67 L HA -0.129 4.213 4.340 0.003 0.000 0.212 67 L C 1.411 178.357 176.870 0.127 0.000 1.075 67 L CA 2.003 56.915 54.840 0.119 0.000 0.752 67 L CB -0.343 41.720 42.059 0.007 0.000 0.891 67 L HN 0.166 nan 8.230 nan 0.000 0.432 68 E N 0.742 120.988 120.200 0.077 0.000 2.462 68 E HA 0.087 4.439 4.350 0.003 0.000 0.255 68 E C -0.015 176.584 176.600 -0.001 0.000 1.311 68 E CA -0.532 55.877 56.400 0.015 0.000 1.629 68 E CB -0.691 28.997 29.700 -0.020 0.000 1.510 68 E HN 0.381 nan 8.360 nan 0.000 0.438 69 F N 0.748 120.720 119.950 0.037 0.000 2.657 69 F HA -0.027 4.502 4.527 0.003 0.000 0.347 69 F C 0.923 176.748 175.800 0.042 0.000 1.180 69 F CA 0.076 58.107 58.000 0.052 0.000 1.383 69 F CB 0.542 39.577 39.000 0.057 0.000 1.077 69 F HN -0.068 nan 8.300 nan 0.000 0.622 70 S N 0.217 115.968 115.700 0.085 0.000 2.952 70 S HA 0.127 4.599 4.470 0.003 0.000 0.251 70 S C 0.549 175.219 174.600 0.116 0.000 1.021 70 S CA 0.093 58.264 58.200 -0.048 0.000 1.067 70 S CB -0.213 62.986 63.200 -0.001 0.000 1.002 70 S HN 0.995 nan 8.310 nan 0.000 0.574 71 Q N 0.992 121.037 119.800 0.408 0.000 2.377 71 Q HA -0.246 4.096 4.340 0.003 0.000 0.234 71 Q C -0.962 175.152 176.000 0.191 0.000 0.847 71 Q CA 0.935 56.936 55.803 0.330 0.000 1.280 71 Q CB -1.340 27.541 28.738 0.237 0.000 1.717 71 Q HN 0.690 nan 8.270 nan 0.000 0.579 72 N N 0.629 119.441 118.700 0.187 0.000 2.678 72 N HA 0.094 4.836 4.740 0.003 0.000 0.231 72 N C 0.858 176.485 175.510 0.195 0.000 1.038 72 N CA -0.197 52.941 53.050 0.147 0.000 0.932 72 N CB 0.512 39.062 38.487 0.106 0.000 1.176 72 N HN 0.273 nan 8.380 nan 0.000 0.511 73 M N 0.494 120.215 119.600 0.201 0.000 2.435 73 M HA -0.118 4.364 4.480 0.003 0.000 0.262 73 M C 1.107 177.539 176.300 0.220 0.000 1.065 73 M CA 0.897 56.354 55.300 0.261 0.000 1.076 73 M CB -0.856 31.883 32.600 0.232 0.000 1.403 73 M HN 0.315 nan 8.290 nan 0.000 0.454 74 N N 0.790 119.596 118.700 0.176 0.000 2.080 74 N HA -0.107 4.635 4.740 0.003 0.000 0.189 74 N C 1.906 177.552 175.510 0.227 0.000 1.036 74 N CA 2.312 55.467 53.050 0.174 0.000 0.846 74 N CB -1.072 37.498 38.487 0.139 0.000 1.015 74 N HN 0.530 nan 8.380 nan 0.000 0.423 75 T N -0.211 114.461 114.554 0.197 0.000 2.746 75 T HA -0.068 4.284 4.350 0.003 0.000 0.267 75 T C 1.744 176.591 174.700 0.244 0.000 1.039 75 T CA 1.134 63.373 62.100 0.231 0.000 1.142 75 T CB -0.226 68.747 68.868 0.174 0.000 0.866 75 T HN 0.189 nan 8.240 nan 0.000 0.444 76 K N -0.059 120.464 120.400 0.205 0.000 2.057 76 K HA -0.057 4.265 4.320 0.003 0.000 0.207 76 K C 2.177 178.751 176.600 -0.043 0.000 1.049 76 K CA 1.472 57.834 56.287 0.125 0.000 0.931 76 K CB -0.440 32.231 32.500 0.284 0.000 0.714 76 K HN 0.391 nan 8.250 nan 0.000 0.440 77 Y N 0.377 120.608 120.300 -0.114 0.000 2.224 77 Y HA -0.300 4.252 4.550 0.003 0.000 0.289 77 Y C 2.296 178.170 175.900 -0.044 0.000 1.146 77 Y CA 1.394 59.400 58.100 -0.156 0.000 1.182 77 Y CB -0.255 38.167 38.460 -0.062 0.000 0.983 77 Y HN 0.117 nan 8.280 nan 0.000 0.524 78 Y N -0.063 120.264 120.300 0.046 0.000 2.200 78 Y HA -0.052 4.500 4.550 0.003 0.000 0.290 78 Y C 2.420 178.277 175.900 -0.072 0.000 1.137 78 Y CA 1.674 59.773 58.100 -0.003 0.000 1.163 78 Y CB -0.874 37.620 38.460 0.056 0.000 0.988 78 Y HN 0.064 nan 8.280 nan 0.000 0.518 79 G N 0.163 108.862 108.800 -0.168 0.000 2.443 79 G HA2 -0.203 3.759 3.960 0.003 0.000 0.219 79 G HA3 -0.203 3.759 3.960 0.003 0.000 0.219 79 G C 1.428 176.165 174.900 -0.271 0.000 1.131 79 G CA 0.980 45.928 45.100 -0.253 0.000 0.775 79 G HN 0.368 nan 8.290 nan 0.000 0.547 80 L N 0.471 121.521 121.223 -0.290 0.000 2.056 80 L HA -0.021 4.321 4.340 0.003 0.000 0.207 80 L C 3.005 179.669 176.870 -0.344 0.000 1.078 80 L CA 1.404 56.048 54.840 -0.326 0.000 0.749 80 L CB -1.029 40.755 42.059 -0.458 0.000 0.901 80 L HN 0.314 nan 8.230 nan 0.000 0.433 81 Q N -0.808 118.749 119.800 -0.405 0.000 2.084 81 Q HA -0.191 4.151 4.340 0.003 0.000 0.202 81 Q C 2.347 178.175 176.000 -0.288 0.000 0.978 81 Q CA 1.444 57.044 55.803 -0.338 0.000 0.844 81 Q CB -0.206 28.360 28.738 -0.288 0.000 0.898 81 Q HN 0.471 nan 8.270 nan 0.000 0.426 82 I N 0.290 120.644 120.570 -0.360 0.000 2.264 82 I HA -0.278 3.894 4.170 0.003 0.000 0.248 82 I C 2.194 178.196 176.117 -0.191 0.000 1.111 82 I CA 0.727 61.848 61.300 -0.297 0.000 1.382 82 I CB -0.139 37.643 38.000 -0.363 0.000 1.060 82 I HN 0.244 nan 8.210 nan 0.000 0.418 83 L N 0.729 121.844 121.223 -0.180 0.000 2.068 83 L HA -0.154 4.188 4.340 0.003 0.000 0.204 83 L C 2.419 179.228 176.870 -0.102 0.000 1.076 83 L CA 1.796 56.569 54.840 -0.112 0.000 0.753 83 L CB -0.780 41.224 42.059 -0.091 0.000 0.910 83 L HN 0.190 nan 8.230 nan 0.000 0.439 84 E N -0.555 119.557 120.200 -0.147 0.000 2.097 84 E HA -0.331 4.021 4.350 0.003 0.000 0.196 84 E C 1.985 178.507 176.600 -0.130 0.000 1.000 84 E CA 1.512 57.823 56.400 -0.149 0.000 0.804 84 E CB -0.171 29.417 29.700 -0.185 0.000 0.740 84 E HN 0.601 nan 8.360 nan 0.000 0.454 85 N N 0.157 118.775 118.700 -0.136 0.000 2.043 85 N HA -0.173 4.569 4.740 0.003 0.000 0.193 85 N C 1.789 177.237 175.510 -0.103 0.000 1.037 85 N CA 1.937 54.912 53.050 -0.124 0.000 0.851 85 N CB -0.431 37.980 38.487 -0.126 0.000 1.027 85 N HN 0.060 nan 8.380 nan 0.000 0.422 86 V N 1.001 120.872 119.914 -0.071 0.000 2.392 86 V HA -0.216 3.906 4.120 0.003 0.000 0.249 86 V C 2.249 178.359 176.094 0.028 0.000 1.059 86 V CA 1.588 63.873 62.300 -0.024 0.000 1.051 86 V CB -0.488 31.340 31.823 0.009 0.000 0.658 86 V HN 0.360 nan 8.190 nan 0.000 0.455 87 I N -0.613 119.978 120.570 0.035 0.000 2.286 87 I HA -0.163 4.009 4.170 0.003 0.000 0.245 87 I C 2.287 178.400 176.117 -0.006 0.000 1.104 87 I CA 1.344 62.694 61.300 0.084 0.000 1.397 87 I CB -0.442 37.521 38.000 -0.062 0.000 1.072 87 I HN 0.219 nan 8.210 nan 0.000 0.417 88 K N 0.354 120.703 120.400 -0.085 0.000 2.504 88 K HA -0.048 4.274 4.320 0.003 0.000 0.195 88 K C 1.750 178.264 176.600 -0.143 0.000 1.036 88 K CA 1.577 57.794 56.287 -0.117 0.000 0.984 88 K CB -0.042 32.379 32.500 -0.132 0.000 0.788 88 K HN 0.524 nan 8.250 nan 0.000 0.488 89 T N -1.838 112.617 114.554 -0.165 0.000 3.019 89 T HA 0.062 4.414 4.350 0.003 0.000 0.247 89 T C 0.964 175.448 174.700 -0.359 0.000 0.992 89 T CA -0.513 61.394 62.100 -0.321 0.000 1.036 89 T CB 0.158 68.785 68.868 -0.402 0.000 1.063 89 T HN 0.218 nan 8.240 nan 0.000 0.476 90 R N -0.144 120.269 120.500 -0.145 0.000 2.533 90 R HA 0.246 4.588 4.340 0.003 0.000 0.268 90 R C 0.499 176.855 176.300 0.092 0.000 1.303 90 R CA -0.725 55.360 56.100 -0.025 0.000 1.429 90 R CB -0.783 29.533 30.300 0.026 0.000 1.361 90 R HN 0.384 nan 8.270 nan 0.000 0.745 91 W N 2.302 123.571 121.300 -0.052 0.000 2.584 91 W HA 0.089 4.751 4.660 0.003 0.000 0.264 91 W C 0.088 176.605 176.519 -0.005 0.000 1.264 91 W CA 0.629 57.956 57.345 -0.031 0.000 1.306 91 W CB 0.381 29.817 29.460 -0.040 0.000 1.110 91 W HN 0.107 nan 8.180 nan 0.000 0.606 92 K N 1.268 121.712 120.400 0.074 0.000 2.418 92 K HA -0.031 4.291 4.320 0.003 0.000 0.195 92 K C 1.395 177.965 176.600 -0.051 0.000 1.035 92 K CA 0.897 57.196 56.287 0.019 0.000 1.003 92 K CB -0.303 32.255 32.500 0.098 0.000 0.793 92 K HN 0.502 nan 8.250 nan 0.000 0.494 93 I N -2.206 118.331 120.570 -0.055 0.000 3.877 93 I HA 0.257 4.429 4.170 0.003 0.000 0.332 93 I C -0.316 175.732 176.117 -0.114 0.000 1.525 93 I CA -0.376 60.896 61.300 -0.047 0.000 1.146 93 I CB 0.053 38.074 38.000 0.034 0.000 1.137 93 I HN -0.215 nan 8.210 nan 0.000 0.424 94 L N 4.742 125.819 121.223 -0.243 0.000 2.265 94 L HA 0.538 4.880 4.340 0.003 0.000 0.289 94 L C -2.010 174.684 176.870 -0.293 0.000 1.033 94 L CA -1.840 52.827 54.840 -0.289 0.000 0.814 94 L CB 1.304 43.096 42.059 -0.445 0.000 1.203 94 L HN 0.004 nan 8.230 nan 0.000 0.423 95 P HA 0.000 nan 4.420 nan 0.000 0.266 95 P C 0.292 177.477 177.300 -0.190 0.000 1.193 95 P CA -0.364 62.639 63.100 -0.160 0.000 0.770 95 P CB 0.695 32.328 31.700 -0.113 0.000 0.836 96 R N 2.858 123.258 120.500 -0.166 0.000 2.139 96 R HA -0.195 4.147 4.340 0.003 0.000 0.243 96 R C 1.870 178.098 176.300 -0.121 0.000 1.145 96 R CA 2.037 58.039 56.100 -0.163 0.000 0.976 96 R CB -1.528 28.698 30.300 -0.123 0.000 0.866 96 R HN 0.730 nan 8.270 nan 0.000 0.449 97 N N 0.241 118.885 118.700 -0.094 0.000 2.205 97 N HA -0.210 4.532 4.740 0.003 0.000 0.186 97 N C 1.502 176.974 175.510 -0.062 0.000 1.015 97 N CA 1.388 54.400 53.050 -0.063 0.000 0.862 97 N CB -0.227 38.227 38.487 -0.055 0.000 0.986 97 N HN 0.346 nan 8.380 nan 0.000 0.429 98 Q N -0.520 119.219 119.800 -0.101 0.000 2.250 98 Q HA 0.103 4.445 4.340 0.003 0.000 0.200 98 Q C 1.968 177.894 176.000 -0.124 0.000 0.941 98 Q CA 0.828 56.577 55.803 -0.090 0.000 0.872 98 Q CB -0.067 28.604 28.738 -0.112 0.000 0.965 98 Q HN 0.461 nan 8.270 nan 0.000 0.480 99 C N 1.640 120.796 119.300 -0.240 0.000 2.413 99 C HA -0.123 4.339 4.460 0.003 0.000 0.276 99 C C 2.402 177.403 174.990 0.017 0.000 1.236 99 C CA 0.835 59.692 59.018 -0.268 0.000 1.735 99 C CB -0.572 26.956 27.740 -0.353 0.000 2.031 99 C HN 0.495 nan 8.230 nan 0.000 0.474 100 E N 0.397 120.587 120.200 -0.017 0.000 2.152 100 E HA -0.042 4.310 4.350 0.003 0.000 0.192 100 E C 2.381 179.003 176.600 0.037 0.000 0.983 100 E CA 1.292 57.696 56.400 0.006 0.000 0.818 100 E CB -0.834 28.863 29.700 -0.004 0.000 0.758 100 E HN 0.717 nan 8.360 nan 0.000 0.467 101 G N 1.143 109.965 108.800 0.036 0.000 2.462 101 G HA2 -0.193 3.769 3.960 0.003 0.000 0.220 101 G HA3 -0.193 3.769 3.960 0.003 0.000 0.220 101 G C 1.677 176.633 174.900 0.093 0.000 1.121 101 G CA 0.556 45.694 45.100 0.063 0.000 0.758 101 G HN 0.204 nan 8.290 nan 0.000 0.559 102 I N -0.293 120.345 120.570 0.113 0.000 2.512 102 I HA 0.036 4.208 4.170 0.003 0.000 0.247 102 I C 2.522 178.741 176.117 0.170 0.000 1.094 102 I CA 0.784 62.190 61.300 0.176 0.000 1.427 102 I CB -0.272 37.886 38.000 0.262 0.000 1.149 102 I HN 0.069 nan 8.210 nan 0.000 0.438 103 K N 1.690 122.166 120.400 0.126 0.000 2.015 103 K HA -0.238 4.084 4.320 0.003 0.000 0.216 103 K C 2.157 178.737 176.600 -0.033 0.000 1.052 103 K CA 1.744 58.020 56.287 -0.018 0.000 0.937 103 K CB 0.035 32.456 32.500 -0.132 0.000 0.719 103 K HN 0.052 nan 8.250 nan 0.000 0.446 104 K N -0.198 120.203 120.400 0.002 0.000 2.147 104 K HA -0.187 4.135 4.320 0.003 0.000 0.205 104 K C 2.084 178.726 176.600 0.071 0.000 1.049 104 K CA 1.326 57.626 56.287 0.022 0.000 0.936 104 K CB -0.444 32.082 32.500 0.043 0.000 0.722 104 K HN 0.422 nan 8.250 nan 0.000 0.446 105 Y N 1.176 121.471 120.300 -0.008 0.000 2.365 105 Y HA -0.102 4.450 4.550 0.003 0.000 0.293 105 Y C 1.999 177.896 175.900 -0.006 0.000 1.119 105 Y CA 0.521 58.618 58.100 -0.005 0.000 1.203 105 Y CB 0.072 38.527 38.460 -0.009 0.000 1.026 105 Y HN -0.262 nan 8.280 nan 0.000 0.549 106 V N 0.157 120.090 119.914 0.032 0.000 2.270 106 V HA -0.288 3.834 4.120 0.003 0.000 0.245 106 V C 2.508 178.546 176.094 -0.093 0.000 1.043 106 V CA 1.983 64.255 62.300 -0.046 0.000 1.014 106 V CB -0.921 30.905 31.823 0.004 0.000 0.645 106 V HN 0.499 nan 8.190 nan 0.000 0.447 107 V N -0.589 119.294 119.914 -0.052 0.000 2.667 107 V HA 0.048 4.170 4.120 0.003 0.000 0.252 107 V C 2.285 178.351 176.094 -0.047 0.000 1.065 107 V CA 1.931 64.221 62.300 -0.018 0.000 1.083 107 V CB -1.381 30.462 31.823 0.032 0.000 0.692 107 V HN 0.399 nan 8.190 nan 0.000 0.468 108 G N 0.549 109.292 108.800 -0.095 0.000 2.414 108 G HA2 -0.099 3.863 3.960 0.003 0.000 0.215 108 G HA3 -0.099 3.863 3.960 0.003 0.000 0.215 108 G C 1.412 176.211 174.900 -0.168 0.000 1.188 108 G CA 0.876 45.909 45.100 -0.111 0.000 0.783 108 G HN 0.424 nan 8.290 nan 0.000 0.537 109 L N 0.668 121.710 121.223 -0.301 0.000 2.622 109 L HA 0.220 4.562 4.340 0.003 0.000 0.233 109 L C 2.465 179.245 176.870 -0.151 0.000 1.156 109 L CA 0.671 55.343 54.840 -0.279 0.000 0.866 109 L CB -0.543 41.255 42.059 -0.435 0.000 0.980 109 L HN 0.300 nan 8.230 nan 0.000 0.448 110 I N -0.831 119.677 120.570 -0.104 0.000 2.385 110 I HA -0.192 3.980 4.170 0.003 0.000 0.244 110 I C 2.228 178.319 176.117 -0.044 0.000 1.089 110 I CA 0.516 61.788 61.300 -0.046 0.000 1.410 110 I CB 0.145 38.140 38.000 -0.008 0.000 1.117 110 I HN 0.064 nan 8.210 nan 0.000 0.429 111 I N 1.091 121.639 120.570 -0.037 0.000 2.315 111 I HA -0.228 3.944 4.170 0.003 0.000 0.248 111 I C 1.996 178.087 176.117 -0.045 0.000 1.117 111 I CA 1.552 62.837 61.300 -0.026 0.000 1.404 111 I CB -1.257 36.737 38.000 -0.009 0.000 1.071 111 I HN 0.216 nan 8.210 nan 0.000 0.419 112 K N 0.509 120.870 120.400 -0.065 0.000 2.574 112 K HA -0.052 4.270 4.320 0.003 0.000 0.193 112 K C 1.386 177.927 176.600 -0.100 0.000 1.035 112 K CA 1.285 57.526 56.287 -0.076 0.000 0.982 112 K CB -0.073 32.377 32.500 -0.085 0.000 0.795 112 K HN 0.563 nan 8.250 nan 0.000 0.491 113 T N -4.995 109.497 114.554 -0.103 0.000 3.029 113 T HA -0.012 4.340 4.350 0.003 0.000 0.256 113 T C 1.747 176.390 174.700 -0.094 0.000 0.914 113 T CA 0.157 62.178 62.100 -0.131 0.000 0.880 113 T CB 0.095 68.840 68.868 -0.204 0.000 1.246 113 T HN 0.072 nan 8.240 nan 0.000 0.523 114 S N 1.483 117.147 115.700 -0.060 0.000 2.439 114 S HA 0.129 4.601 4.470 0.003 0.000 0.224 114 S C 2.006 176.593 174.600 -0.023 0.000 1.029 114 S CA 0.627 58.807 58.200 -0.032 0.000 0.946 114 S CB -0.510 62.685 63.200 -0.009 0.000 0.797 114 S HN 0.327 nan 8.310 nan 0.000 0.504 115 S N 1.624 117.309 115.700 -0.025 0.000 2.489 115 S HA 0.095 4.567 4.470 0.003 0.000 0.228 115 S C 0.381 174.967 174.600 -0.023 0.000 0.995 115 S CA 0.299 58.489 58.200 -0.017 0.000 0.934 115 S CB -0.490 62.701 63.200 -0.014 0.000 0.771 115 S HN 0.647 nan 8.310 nan 0.000 0.522 116 D N 2.282 122.659 120.400 -0.038 0.000 2.363 116 D HA 0.109 4.751 4.640 0.003 0.000 0.263 116 D C -1.749 174.531 176.300 -0.033 0.000 1.258 116 D CA -1.900 52.075 54.000 -0.041 0.000 0.907 116 D CB 1.005 41.768 40.800 -0.063 0.000 1.107 116 D HN 0.016 nan 8.370 nan 0.000 0.495 117 P HA -0.123 nan 4.420 nan 0.000 0.219 117 P C 0.977 178.264 177.300 -0.021 0.000 1.146 117 P CA 1.244 64.334 63.100 -0.017 0.000 0.808 117 P CB -0.009 31.684 31.700 -0.012 0.000 0.779 118 T N -5.188 109.349 114.554 -0.028 0.000 3.148 118 T HA -0.002 4.350 4.350 0.003 0.000 0.253 118 T C 0.903 175.580 174.700 -0.038 0.000 1.134 118 T CA 0.126 62.208 62.100 -0.030 0.000 1.051 118 T CB -1.536 67.313 68.868 -0.031 0.000 0.959 118 T HN 0.020 nan 8.240 nan 0.000 0.525 119 C N 3.087 122.361 119.300 -0.044 0.000 2.439 119 C HA 0.411 4.873 4.460 0.003 0.000 0.411 119 C C 2.197 177.166 174.990 -0.035 0.000 1.337 119 C CA -0.767 58.219 59.018 -0.053 0.000 1.716 119 C CB -2.015 25.682 27.740 -0.071 0.000 2.332 119 C HN 0.640 nan 8.230 nan 0.000 0.594 120 V N -0.888 119.010 119.914 -0.027 0.000 2.426 120 V HA 0.005 4.127 4.120 0.003 0.000 0.242 120 V C 1.954 178.037 176.094 -0.018 0.000 1.036 120 V CA 1.656 63.945 62.300 -0.020 0.000 1.044 120 V CB -0.526 31.285 31.823 -0.019 0.000 0.688 120 V HN 0.626 nan 8.190 nan 0.000 0.462 121 E N 0.396 120.584 120.200 -0.020 0.000 2.476 121 E HA 0.089 4.441 4.350 0.003 0.000 0.199 121 E C 0.616 177.207 176.600 -0.016 0.000 1.021 121 E CA -0.250 56.141 56.400 -0.016 0.000 0.907 121 E CB 0.227 29.919 29.700 -0.014 0.000 0.974 121 E HN 0.573 nan 8.360 nan 0.000 0.489 122 K N 2.614 122.997 120.400 -0.029 0.000 2.146 122 K HA -0.009 4.314 4.320 0.003 0.000 0.220 122 K C -0.760 175.818 176.600 -0.037 0.000 1.227 122 K CA 0.263 56.523 56.287 -0.045 0.000 1.185 122 K CB -0.046 32.406 32.500 -0.080 0.000 1.333 122 K HN 0.070 nan 8.250 nan 0.000 0.242 123 E N 1.370 121.571 120.200 0.001 0.000 4.675 123 E HA -0.199 4.153 4.350 0.003 0.000 0.163 123 E C -0.060 176.571 176.600 0.052 0.000 1.720 123 E CA 0.487 56.913 56.400 0.043 0.000 1.052 123 E CB -0.450 29.312 29.700 0.103 0.000 1.047 123 E HN 0.522 nan 8.360 nan 0.000 0.344 124 K N 0.649 121.071 120.400 0.037 0.000 2.365 124 K HA -0.034 4.288 4.320 0.003 0.000 0.199 124 K C 1.857 178.498 176.600 0.069 0.000 1.045 124 K CA 1.090 57.403 56.287 0.043 0.000 0.962 124 K CB 0.344 32.858 32.500 0.024 0.000 0.759 124 K HN 0.182 nan 8.250 nan 0.000 0.469 125 V N 0.247 120.202 119.914 0.069 0.000 2.331 125 V HA -0.225 3.897 4.120 0.003 0.000 0.242 125 V C 2.020 178.241 176.094 0.211 0.000 1.034 125 V CA 1.231 63.575 62.300 0.072 0.000 1.027 125 V CB -0.774 31.003 31.823 -0.077 0.000 0.667 125 V HN 0.243 nan 8.190 nan 0.000 0.457 126 Y N 0.606 120.963 120.300 0.096 0.000 2.081 126 Y HA -0.280 4.272 4.550 0.003 0.000 0.280 126 Y C 2.574 178.528 175.900 0.089 0.000 1.163 126 Y CA 1.793 59.983 58.100 0.151 0.000 1.135 126 Y CB -0.007 38.510 38.460 0.095 0.000 0.970 126 Y HN 0.087 nan 8.280 nan 0.000 0.498 127 I N 0.509 121.289 120.570 0.349 0.000 2.248 127 I HA -0.305 3.867 4.170 0.003 0.000 0.248 127 I C 2.620 178.834 176.117 0.161 0.000 1.107 127 I CA 1.798 63.216 61.300 0.196 0.000 1.373 127 I CB -1.989 36.060 38.000 0.083 0.000 1.055 127 I HN 0.447 nan 8.210 nan 0.000 0.418 128 G N 0.431 109.321 108.800 0.149 0.000 2.403 128 G HA2 -0.263 3.699 3.960 0.003 0.000 0.216 128 G HA3 -0.263 3.699 3.960 0.003 0.000 0.216 128 G C 1.775 176.729 174.900 0.089 0.000 1.154 128 G CA 0.763 45.927 45.100 0.106 0.000 0.784 128 G HN 0.244 nan 8.290 nan 0.000 0.538 129 K N 0.597 121.067 120.400 0.117 0.000 2.009 129 K HA 0.061 4.383 4.320 0.003 0.000 0.210 129 K C 2.464 179.039 176.600 -0.041 0.000 1.049 129 K CA 0.972 57.263 56.287 0.006 0.000 0.929 129 K CB -0.741 31.706 32.500 -0.089 0.000 0.714 129 K HN 0.298 nan 8.250 nan 0.000 0.440 130 L N 0.598 121.830 121.223 0.015 0.000 2.089 130 L HA -0.301 4.041 4.340 0.003 0.000 0.213 130 L C 1.955 178.826 176.870 0.002 0.000 1.079 130 L CA 2.012 56.862 54.840 0.018 0.000 0.758 130 L CB -0.658 41.465 42.059 0.107 0.000 0.891 130 L HN 0.392 nan 8.230 nan 0.000 0.433 131 N N -0.888 117.826 118.700 0.025 0.000 2.058 131 N HA -0.206 4.536 4.740 0.003 0.000 0.191 131 N C 1.916 177.412 175.510 -0.023 0.000 1.037 131 N CA 1.176 54.237 53.050 0.018 0.000 0.848 131 N CB -0.124 38.387 38.487 0.040 0.000 1.021 131 N HN 0.176 nan 8.380 nan 0.000 0.422 132 M N 0.724 120.301 119.600 -0.037 0.000 2.108 132 M HA -0.107 4.375 4.480 0.003 0.000 0.261 132 M C 1.996 178.229 176.300 -0.112 0.000 1.066 132 M CA 1.340 56.595 55.300 -0.074 0.000 1.107 132 M CB -0.786 31.768 32.600 -0.078 0.000 1.356 132 M HN 0.243 nan 8.290 nan 0.000 0.406 133 I N -0.400 120.101 120.570 -0.115 0.000 2.226 133 I HA -0.331 3.841 4.170 0.003 0.000 0.245 133 I C 2.439 178.464 176.117 -0.153 0.000 1.100 133 I CA 1.047 62.264 61.300 -0.138 0.000 1.374 133 I CB -0.427 37.499 38.000 -0.122 0.000 1.057 133 I HN 0.263 nan 8.210 nan 0.000 0.413 134 L N 0.377 121.532 121.223 -0.115 0.000 2.056 134 L HA -0.171 4.171 4.340 0.003 0.000 0.207 134 L C 2.483 179.245 176.870 -0.181 0.000 1.078 134 L CA 1.188 55.953 54.840 -0.125 0.000 0.749 134 L CB -0.042 41.995 42.059 -0.037 0.000 0.901 134 L HN -0.025 nan 8.230 nan 0.000 0.433 135 V N -0.265 119.559 119.914 -0.150 0.000 2.490 135 V HA -0.248 3.874 4.120 0.003 0.000 0.250 135 V C 2.563 178.520 176.094 -0.228 0.000 1.061 135 V CA 1.377 63.565 62.300 -0.187 0.000 1.064 135 V CB -0.617 31.128 31.823 -0.131 0.000 0.670 135 V HN 0.518 nan 8.190 nan 0.000 0.461 136 Q N -0.248 119.418 119.800 -0.223 0.000 2.084 136 Q HA -0.094 4.248 4.340 0.003 0.000 0.202 136 Q C 2.296 178.076 176.000 -0.366 0.000 0.978 136 Q CA 1.683 57.334 55.803 -0.253 0.000 0.844 136 Q CB -0.305 28.297 28.738 -0.226 0.000 0.898 136 Q HN 0.600 nan 8.270 nan 0.000 0.426 137 I N 0.636 120.937 120.570 -0.449 0.000 2.208 137 I HA -0.297 3.875 4.170 0.003 0.000 0.245 137 I C 2.293 178.113 176.117 -0.495 0.000 1.097 137 I CA 0.977 61.863 61.300 -0.691 0.000 1.363 137 I CB -0.402 37.220 38.000 -0.629 0.000 1.051 137 I HN 0.138 nan 8.210 nan 0.000 0.413 138 L N 0.503 121.514 121.223 -0.354 0.000 2.046 138 L HA -0.210 4.132 4.340 0.003 0.000 0.208 138 L C 2.612 179.397 176.870 -0.140 0.000 1.077 138 L CA 1.471 56.155 54.840 -0.260 0.000 0.747 138 L CB -0.623 41.148 42.059 -0.480 0.000 0.896 138 L HN 0.199 nan 8.230 nan 0.000 0.432 139 K N -0.435 119.847 120.400 -0.198 0.000 2.057 139 K HA -0.178 4.144 4.320 0.003 0.000 0.207 139 K C 2.170 178.709 176.600 -0.102 0.000 1.049 139 K CA 0.993 57.199 56.287 -0.134 0.000 0.931 139 K CB -0.145 32.260 32.500 -0.157 0.000 0.714 139 K HN 0.300 nan 8.250 nan 0.000 0.440 140 Q N 0.473 120.154 119.800 -0.198 0.000 2.224 140 Q HA -0.073 4.269 4.340 0.003 0.000 0.203 140 Q C 0.408 176.412 176.000 0.007 0.000 0.970 140 Q CA 0.931 56.637 55.803 -0.162 0.000 0.865 140 Q CB 0.282 28.735 28.738 -0.475 0.000 0.922 140 Q HN 0.362 nan 8.270 nan 0.000 0.445 141 E N -1.761 118.451 120.200 0.020 0.000 2.670 141 E HA 0.040 4.392 4.350 0.003 0.000 0.349 141 E C -1.290 175.484 176.600 0.291 0.000 0.918 141 E CA -0.054 56.479 56.400 0.221 0.000 0.774 141 E CB -0.141 29.799 29.700 0.399 0.000 1.409 141 E HN 0.099 nan 8.360 nan 0.000 0.397 142 W N 7.097 128.442 121.300 0.074 0.000 4.545 142 W HA 0.400 5.062 4.660 0.003 0.000 0.198 142 W C -1.709 174.859 176.519 0.082 0.000 1.012 142 W CA 1.193 58.574 57.345 0.059 0.000 1.903 142 W CB -0.338 29.072 29.460 -0.084 0.000 0.746 142 W HN 0.393 nan 8.180 nan 0.000 0.948 143 P HA -0.039 nan 4.420 nan 0.000 0.219 143 P C 1.017 178.234 177.300 -0.138 0.000 1.154 143 P CA 2.284 65.097 63.100 -0.480 0.000 0.826 143 P CB 0.156 31.647 31.700 -0.348 0.000 0.795 144 K N -0.801 119.601 120.400 0.004 0.000 1.968 144 K HA -0.095 4.227 4.320 0.003 0.000 0.222 144 K C 1.194 177.675 176.600 -0.200 0.000 1.043 144 K CA 1.182 57.404 56.287 -0.107 0.000 0.991 144 K CB -0.808 31.644 32.500 -0.080 0.000 0.744 144 K HN 0.302 nan 8.250 nan 0.000 0.445 145 H N -1.533 117.651 119.070 0.189 0.000 2.517 145 H HA -0.002 4.556 4.556 0.003 0.000 0.346 145 H C -0.103 175.439 175.328 0.357 0.000 1.222 145 H CA -0.708 55.481 56.048 0.235 0.000 1.314 145 H CB 0.760 30.673 29.762 0.251 0.000 1.609 145 H HN 0.493 nan 8.280 nan 0.000 0.571 146 W N 1.472 122.922 121.300 0.250 0.000 5.158 146 W HA -0.107 4.555 4.660 0.003 0.000 0.393 146 W C -2.310 174.343 176.519 0.223 0.000 1.508 146 W CA -0.396 57.087 57.345 0.230 0.000 0.901 146 W CB -1.202 28.402 29.460 0.239 0.000 2.676 146 W HN 0.518 nan 8.180 nan 0.000 1.392 147 P HA -0.136 nan 4.420 nan 0.000 0.227 147 P C 1.837 179.047 177.300 -0.150 0.000 1.161 147 P CA 2.772 65.808 63.100 -0.106 0.000 0.788 147 P CB -0.182 31.478 31.700 -0.067 0.000 0.822 148 T N -3.407 110.993 114.554 -0.257 0.000 2.788 148 T HA -0.232 4.120 4.350 0.003 0.000 0.268 148 T C 1.535 176.036 174.700 -0.332 0.000 1.044 148 T CA 0.557 62.491 62.100 -0.277 0.000 1.139 148 T CB -1.505 67.192 68.868 -0.286 0.000 0.867 148 T HN -0.084 nan 8.240 nan 0.000 0.454 149 F N 2.460 121.878 119.950 -0.888 0.000 2.345 149 F HA -0.384 4.146 4.527 0.003 0.000 0.276 149 F C 1.930 177.636 175.800 -0.157 0.000 1.160 149 F CA 1.871 59.498 58.000 -0.622 0.000 1.439 149 F CB -1.143 37.655 39.000 -0.337 0.000 0.847 149 F HN 0.179 nan 8.300 nan 0.000 0.525 150 I N -0.484 120.008 120.570 -0.130 0.000 2.113 150 I HA -0.427 3.745 4.170 0.003 0.000 0.242 150 I C 2.415 178.419 176.117 -0.189 0.000 1.064 150 I CA 2.059 63.241 61.300 -0.196 0.000 1.320 150 I CB -0.841 37.250 38.000 0.151 0.000 1.028 150 I HN 0.278 nan 8.210 nan 0.000 0.406 151 S N 0.171 115.804 115.700 -0.111 0.000 2.419 151 S HA -0.181 4.291 4.470 0.003 0.000 0.233 151 S C 1.284 175.806 174.600 -0.130 0.000 1.016 151 S CA 1.310 59.450 58.200 -0.100 0.000 0.974 151 S CB -0.335 62.824 63.200 -0.068 0.000 0.786 151 S HN 0.444 nan 8.310 nan 0.000 0.492 152 D N 0.743 121.036 120.400 -0.178 0.000 2.363 152 D HA 0.153 4.795 4.640 0.003 0.000 0.226 152 D C 1.365 177.576 176.300 -0.148 0.000 1.020 152 D CA 0.430 54.348 54.000 -0.136 0.000 0.892 152 D CB -0.036 40.691 40.800 -0.121 0.000 0.900 152 D HN 0.440 nan 8.370 nan 0.000 0.531 153 I N -0.826 119.603 120.570 -0.235 0.000 3.039 153 I HA -0.015 4.157 4.170 0.003 0.000 0.270 153 I C 1.817 177.840 176.117 -0.156 0.000 1.150 153 I CA 0.145 61.312 61.300 -0.220 0.000 1.448 153 I CB 0.138 37.926 38.000 -0.353 0.000 1.197 153 I HN -0.201 nan 8.210 nan 0.000 0.450 154 V N 1.572 121.393 119.914 -0.155 0.000 3.590 154 V HA 0.091 4.213 4.120 0.003 0.000 0.272 154 V C 1.380 177.395 176.094 -0.133 0.000 1.233 154 V CA 1.610 63.828 62.300 -0.138 0.000 1.182 154 V CB -0.691 31.060 31.823 -0.121 0.000 0.901 154 V HN 0.542 nan 8.190 nan 0.000 0.485 155 G N -1.537 107.195 108.800 -0.114 0.000 2.535 155 G HA2 0.267 4.229 3.960 0.003 0.000 0.191 155 G HA3 0.267 4.229 3.960 0.003 0.000 0.191 155 G C 1.219 176.074 174.900 -0.075 0.000 1.242 155 G CA 0.683 45.726 45.100 -0.095 0.000 0.797 155 G HN 0.530 nan 8.290 nan 0.000 0.863 156 A N 0.535 123.316 122.820 -0.066 0.000 2.147 156 A HA 0.411 4.733 4.320 0.003 0.000 0.211 156 A C 2.177 179.736 177.584 -0.041 0.000 1.160 156 A CA 1.697 53.711 52.037 -0.039 0.000 0.781 156 A CB -0.136 18.854 19.000 -0.016 0.000 0.842 156 A HN 0.357 nan 8.150 nan 0.000 0.475 157 S N 0.116 115.778 115.700 -0.063 0.000 2.470 157 S HA -0.035 4.437 4.470 0.003 0.000 0.225 157 S C 1.631 176.196 174.600 -0.058 0.000 1.006 157 S CA 0.335 58.504 58.200 -0.053 0.000 0.934 157 S CB -0.285 62.877 63.200 -0.063 0.000 0.778 157 S HN 0.628 nan 8.310 nan 0.000 0.517 158 R N 0.942 121.386 120.500 -0.093 0.000 2.325 158 R HA 0.140 4.482 4.340 0.003 0.000 0.214 158 R C 1.144 177.408 176.300 -0.060 0.000 0.961 158 R CA 0.490 56.521 56.100 -0.116 0.000 1.086 158 R CB -0.331 29.848 30.300 -0.202 0.000 1.037 158 R HN 0.323 nan 8.270 nan 0.000 0.493 159 T N -0.014 114.519 114.554 -0.035 0.000 3.266 159 T HA 0.045 4.397 4.350 0.003 0.000 0.215 159 T C 0.859 175.559 174.700 0.001 0.000 0.957 159 T CA 0.395 62.486 62.100 -0.016 0.000 1.730 159 T CB 0.115 68.976 68.868 -0.011 0.000 1.427 159 T HN 0.058 nan 8.240 nan 0.000 0.445 160 S N 0.824 116.527 115.700 0.004 0.000 2.687 160 S HA 0.294 4.766 4.470 0.003 0.000 0.283 160 S C 0.850 175.462 174.600 0.019 0.000 1.170 160 S CA -0.652 57.556 58.200 0.012 0.000 1.008 160 S CB 1.529 64.734 63.200 0.009 0.000 1.026 160 S HN 0.411 nan 8.310 nan 0.000 0.541 161 E N 0.637 120.853 120.200 0.027 0.000 2.435 161 E HA 0.008 4.360 4.350 0.003 0.000 0.195 161 E C 1.285 177.903 176.600 0.031 0.000 1.029 161 E CA 0.240 56.662 56.400 0.036 0.000 0.865 161 E CB 0.064 29.790 29.700 0.043 0.000 0.833 161 E HN 0.375 nan 8.360 nan 0.000 0.510 162 S N 0.773 116.485 115.700 0.021 0.000 2.453 162 S HA -0.005 4.467 4.470 0.003 0.000 0.231 162 S C 1.829 176.438 174.600 0.016 0.000 1.005 162 S CA 0.604 58.813 58.200 0.016 0.000 0.949 162 S CB 0.092 63.295 63.200 0.006 0.000 0.774 162 S HN 0.206 nan 8.310 nan 0.000 0.510 163 L N -0.131 121.101 121.223 0.015 0.000 2.168 163 L HA 0.042 4.384 4.340 0.003 0.000 0.203 163 L C 2.596 179.477 176.870 0.018 0.000 1.078 163 L CA 0.469 55.317 54.840 0.014 0.000 0.780 163 L CB -0.469 41.594 42.059 0.008 0.000 0.939 163 L HN 0.400 nan 8.230 nan 0.000 0.451 164 C N 0.135 119.446 119.300 0.019 0.000 2.425 164 C HA -0.204 4.258 4.460 0.003 0.000 0.277 164 C C 2.854 177.866 174.990 0.036 0.000 1.280 164 C CA 1.331 60.362 59.018 0.021 0.000 1.744 164 C CB -0.573 27.185 27.740 0.030 0.000 1.989 164 C HN 0.570 nan 8.230 nan 0.000 0.491 165 Q N -0.023 119.804 119.800 0.044 0.000 2.291 165 Q HA -0.147 4.195 4.340 0.003 0.000 0.205 165 Q C 2.093 178.129 176.000 0.059 0.000 0.970 165 Q CA 1.432 57.270 55.803 0.058 0.000 0.876 165 Q CB -0.336 28.438 28.738 0.059 0.000 0.935 165 Q HN 0.804 nan 8.270 nan 0.000 0.455 166 N N -0.128 118.601 118.700 0.048 0.000 2.402 166 N HA -0.039 4.703 4.740 0.003 0.000 0.174 166 N C 0.777 176.322 175.510 0.059 0.000 1.027 166 N CA 0.497 53.579 53.050 0.052 0.000 0.891 166 N CB 0.068 38.580 38.487 0.041 0.000 1.016 166 N HN 0.356 nan 8.380 nan 0.000 0.439 167 N N -0.052 118.676 118.700 0.048 0.000 2.453 167 N HA -0.029 4.713 4.740 0.003 0.000 0.183 167 N C 1.552 177.103 175.510 0.069 0.000 1.041 167 N CA 0.490 53.567 53.050 0.046 0.000 0.900 167 N CB 0.132 38.622 38.487 0.006 0.000 0.961 167 N HN 0.219 nan 8.380 nan 0.000 0.443 168 M N 0.270 119.915 119.600 0.075 0.000 2.193 168 M HA -0.009 4.473 4.480 0.003 0.000 0.265 168 M C 2.226 178.608 176.300 0.137 0.000 1.071 168 M CA 0.807 56.170 55.300 0.104 0.000 1.140 168 M CB -0.835 31.814 32.600 0.081 0.000 1.369 168 M HN 0.041 nan 8.290 nan 0.000 0.423 169 V N 0.902 120.882 119.914 0.111 0.000 2.913 169 V HA -0.173 3.949 4.120 0.003 0.000 0.260 169 V C 2.118 178.273 176.094 0.103 0.000 1.098 169 V CA 0.866 63.230 62.300 0.108 0.000 1.121 169 V CB -0.311 31.566 31.823 0.090 0.000 0.714 169 V HN 0.224 nan 8.190 nan 0.000 0.487 170 I N -0.285 120.349 120.570 0.107 0.000 2.162 170 I HA -0.148 4.024 4.170 0.003 0.000 0.238 170 I C 2.282 178.473 176.117 0.123 0.000 1.076 170 I CA 1.741 63.106 61.300 0.108 0.000 1.353 170 I CB -0.817 37.259 38.000 0.128 0.000 1.063 170 I HN 0.274 nan 8.210 nan 0.000 0.408 171 L N 0.469 121.799 121.223 0.178 0.000 2.275 171 L HA -0.187 4.155 4.340 0.003 0.000 0.215 171 L C 2.497 179.497 176.870 0.216 0.000 1.119 171 L CA 0.889 55.881 54.840 0.253 0.000 0.790 171 L CB -0.645 41.669 42.059 0.425 0.000 0.919 171 L HN 0.327 nan 8.230 nan 0.000 0.443 172 K N 1.141 121.669 120.400 0.213 0.000 2.057 172 K HA -0.165 4.157 4.320 0.003 0.000 0.207 172 K C 2.107 178.737 176.600 0.050 0.000 1.049 172 K CA 1.249 57.620 56.287 0.140 0.000 0.931 172 K CB 0.022 32.617 32.500 0.159 0.000 0.714 172 K HN 0.263 nan 8.250 nan 0.000 0.440 173 L N 0.877 122.132 121.223 0.054 0.000 2.072 173 L HA -0.106 4.236 4.340 0.003 0.000 0.205 173 L C 2.543 179.404 176.870 -0.015 0.000 1.079 173 L CA 0.579 55.434 54.840 0.025 0.000 0.752 173 L CB -0.313 41.755 42.059 0.015 0.000 0.906 173 L HN 0.255 nan 8.230 nan 0.000 0.436 174 L N -0.764 120.438 121.223 -0.035 0.000 2.079 174 L HA -0.247 4.095 4.340 0.003 0.000 0.210 174 L C 2.792 179.583 176.870 -0.132 0.000 1.081 174 L CA 1.430 56.204 54.840 -0.110 0.000 0.752 174 L CB -0.090 41.892 42.059 -0.129 0.000 0.896 174 L HN 0.261 nan 8.230 nan 0.000 0.433 175 S N -0.634 114.998 115.700 -0.114 0.000 2.406 175 S HA -0.187 4.285 4.470 0.003 0.000 0.228 175 S C 1.717 176.307 174.600 -0.017 0.000 1.020 175 S CA 1.260 59.389 58.200 -0.118 0.000 0.965 175 S CB -0.141 62.862 63.200 -0.328 0.000 0.798 175 S HN 0.512 nan 8.310 nan 0.000 0.488 176 E N 0.102 120.318 120.200 0.027 0.000 2.208 176 E HA -0.055 4.297 4.350 0.003 0.000 0.193 176 E C 1.940 178.674 176.600 0.223 0.000 0.988 176 E CA 0.818 57.317 56.400 0.166 0.000 0.828 176 E CB 0.047 29.893 29.700 0.243 0.000 0.763 176 E HN 0.492 nan 8.360 nan 0.000 0.478 177 E N 0.043 120.281 120.200 0.063 0.000 2.250 177 E HA -0.040 4.312 4.350 0.003 0.000 0.192 177 E C 2.046 178.598 176.600 -0.079 0.000 0.986 177 E CA 0.462 56.874 56.400 0.019 0.000 0.849 177 E CB 0.466 30.129 29.700 -0.062 0.000 0.797 177 E HN 0.120 nan 8.360 nan 0.000 0.482 178 V N -0.191 119.603 119.914 -0.199 0.000 2.685 178 V HA -0.027 4.095 4.120 0.003 0.000 0.244 178 V C 1.584 177.341 176.094 -0.562 0.000 1.054 178 V CA 1.060 63.109 62.300 -0.419 0.000 1.076 178 V CB -0.229 31.225 31.823 -0.615 0.000 0.725 178 V HN 0.063 nan 8.190 nan 0.000 0.467 179 F N 0.349 120.132 119.950 -0.280 0.000 2.399 179 F HA 0.156 4.685 4.527 0.003 0.000 0.282 179 F C 2.072 177.747 175.800 -0.208 0.000 1.027 179 F CA 0.800 58.633 58.000 -0.278 0.000 1.333 179 F CB -0.437 38.310 39.000 -0.422 0.000 1.132 179 F HN 0.112 nan 8.300 nan 0.000 0.590 180 D N -0.419 119.956 120.400 -0.043 0.000 2.103 180 D HA -0.092 4.550 4.640 0.003 0.000 0.199 180 D C 0.738 176.687 176.300 -0.585 0.000 0.978 180 D CA 1.593 55.375 54.000 -0.364 0.000 0.829 180 D CB -0.205 40.292 40.800 -0.505 0.000 0.981 180 D HN 0.207 nan 8.370 nan 0.000 0.464 181 F N -0.138 119.799 119.950 -0.021 0.000 2.881 181 F HA 0.252 4.781 4.527 0.003 0.000 0.343 181 F C 1.613 177.379 175.800 -0.058 0.000 1.233 181 F CA -0.471 57.509 58.000 -0.033 0.000 1.262 181 F CB 0.254 39.233 39.000 -0.034 0.000 0.980 181 F HN -0.148 nan 8.300 nan 0.000 0.506 182 S N -1.419 114.295 115.700 0.024 0.000 2.348 182 S HA -0.079 4.393 4.470 0.003 0.000 0.219 182 S C 1.308 175.906 174.600 -0.003 0.000 1.033 182 S CA 0.413 58.598 58.200 -0.026 0.000 0.974 182 S CB -0.563 62.573 63.200 -0.106 0.000 0.868 182 S HN 0.231 nan 8.310 nan 0.000 0.459 183 S N 1.091 116.792 115.700 0.001 0.000 2.596 183 S HA 0.406 4.878 4.470 0.003 0.000 0.298 183 S C 1.325 175.943 174.600 0.030 0.000 1.255 183 S CA 0.737 58.946 58.200 0.015 0.000 1.083 183 S CB -0.780 62.430 63.200 0.016 0.000 0.837 183 S HN 1.479 nan 8.310 nan 0.000 0.499 184 G N 4.207 113.021 108.800 0.024 0.000 2.729 184 G HA2 -0.352 3.610 3.960 0.003 0.000 0.216 184 G HA3 -0.352 3.610 3.960 0.003 0.000 0.216 184 G C 0.957 175.859 174.900 0.003 0.000 1.252 184 G CA 0.694 45.807 45.100 0.022 0.000 0.751 184 G HN 0.704 nan 8.290 nan 0.000 0.527 185 Q N 0.538 120.341 119.800 0.006 0.000 2.172 185 Q HA 0.328 4.670 4.340 0.003 0.000 0.200 185 Q C 1.258 177.234 176.000 -0.040 0.000 0.964 185 Q CA 1.142 56.934 55.803 -0.019 0.000 0.855 185 Q CB 0.101 28.834 28.738 -0.008 0.000 0.918 185 Q HN 0.666 nan 8.270 nan 0.000 0.444 186 I N 0.099 120.648 120.570 -0.034 0.000 2.957 186 I HA 0.199 4.371 4.170 0.003 0.000 0.310 186 I C 0.227 176.323 176.117 -0.036 0.000 1.063 186 I CA -0.763 60.508 61.300 -0.049 0.000 1.033 186 I CB 2.124 40.087 38.000 -0.061 0.000 1.230 186 I HN 0.141 nan 8.210 nan 0.000 0.447 187 T N 1.073 115.600 114.554 -0.044 0.000 2.680 187 T HA 0.035 4.387 4.350 0.003 0.000 0.314 187 T C 0.627 175.326 174.700 -0.001 0.000 1.045 187 T CA 0.355 62.441 62.100 -0.024 0.000 1.025 187 T CB 1.034 69.875 68.868 -0.045 0.000 1.000 187 T HN 0.785 nan 8.240 nan 0.000 0.535 188 Q N -0.350 119.469 119.800 0.031 0.000 1.961 188 Q HA -0.032 4.310 4.340 0.003 0.000 0.197 188 Q C 2.324 178.357 176.000 0.056 0.000 0.977 188 Q CA 1.541 57.374 55.803 0.050 0.000 0.830 188 Q CB -0.412 28.377 28.738 0.085 0.000 0.896 188 Q HN 0.750 nan 8.270 nan 0.000 0.437 189 V N -0.711 119.248 119.914 0.075 0.000 2.867 189 V HA -0.141 3.981 4.120 0.003 0.000 0.260 189 V C 2.058 178.253 176.094 0.169 0.000 1.099 189 V CA 2.073 64.450 62.300 0.128 0.000 1.122 189 V CB -0.713 31.210 31.823 0.167 0.000 0.708 189 V HN 0.317 nan 8.190 nan 0.000 0.490 190 K N 0.910 121.342 120.400 0.054 0.000 2.186 190 K HA 0.118 4.440 4.320 0.003 0.000 0.202 190 K C 2.224 178.874 176.600 0.084 0.000 1.052 190 K CA 1.120 57.444 56.287 0.061 0.000 0.965 190 K CB -0.317 32.133 32.500 -0.084 0.000 0.746 190 K HN 0.509 nan 8.250 nan 0.000 0.457 191 A N 1.700 124.528 122.820 0.013 0.000 1.902 191 A HA -0.195 4.127 4.320 0.003 0.000 0.217 191 A C 2.014 179.560 177.584 -0.064 0.000 1.181 191 A CA 1.867 53.867 52.037 -0.061 0.000 0.623 191 A CB -0.466 18.494 19.000 -0.067 0.000 0.818 191 A HN 0.245 nan 8.150 nan 0.000 0.443 192 K N -0.237 120.179 120.400 0.026 0.000 2.147 192 K HA -0.172 4.150 4.320 0.003 0.000 0.205 192 K C 1.836 178.500 176.600 0.107 0.000 1.049 192 K CA 1.957 58.272 56.287 0.047 0.000 0.936 192 K CB -0.704 31.846 32.500 0.084 0.000 0.722 192 K HN 0.797 nan 8.250 nan 0.000 0.446 193 H N -0.893 118.223 119.070 0.077 0.000 2.299 193 H HA -0.088 4.470 4.556 0.003 0.000 0.302 193 H C 1.469 176.824 175.328 0.045 0.000 1.078 193 H CA 1.516 57.630 56.048 0.109 0.000 1.323 193 H CB 0.143 30.110 29.762 0.342 0.000 1.381 193 H HN 0.110 nan 8.280 nan 0.000 0.498 194 L N 1.370 122.504 121.223 -0.148 0.000 2.201 194 L HA -0.094 4.248 4.340 0.003 0.000 0.212 194 L C 2.491 179.232 176.870 -0.215 0.000 1.105 194 L CA 1.285 56.014 54.840 -0.185 0.000 0.775 194 L CB -0.371 41.599 42.059 -0.150 0.000 0.913 194 L HN 0.196 nan 8.230 nan 0.000 0.440 195 K N 0.030 120.222 120.400 -0.346 0.000 1.967 195 K HA -0.163 4.159 4.320 0.003 0.000 0.212 195 K C 1.405 177.905 176.600 -0.166 0.000 1.044 195 K CA 1.628 57.538 56.287 -0.628 0.000 0.942 195 K CB -0.423 31.756 32.500 -0.534 0.000 0.726 195 K HN 0.376 nan 8.250 nan 0.000 0.440 196 D N 0.104 120.506 120.400 0.004 0.000 2.371 196 D HA -0.080 4.562 4.640 0.003 0.000 0.234 196 D C 1.396 177.760 176.300 0.106 0.000 1.049 196 D CA 0.477 54.544 54.000 0.112 0.000 0.907 196 D CB 0.215 41.082 40.800 0.112 0.000 0.891 196 D HN -0.046 nan 8.370 nan 0.000 0.531 197 S N -0.799 114.939 115.700 0.063 0.000 2.388 197 S HA 0.062 4.534 4.470 0.003 0.000 0.223 197 S C 1.788 176.546 174.600 0.264 0.000 1.034 197 S CA 0.255 58.472 58.200 0.029 0.000 0.963 197 S CB -0.125 62.963 63.200 -0.187 0.000 0.827 197 S HN 0.200 nan 8.310 nan 0.000 0.481 198 M N 0.244 120.082 119.600 0.398 0.000 2.193 198 M HA -0.024 4.458 4.480 0.003 0.000 0.265 198 M C 2.503 179.091 176.300 0.480 0.000 1.071 198 M CA 0.900 56.495 55.300 0.491 0.000 1.140 198 M CB -0.608 32.147 32.600 0.257 0.000 1.369 198 M HN 0.535 nan 8.290 nan 0.000 0.423 199 C N 1.158 120.687 119.300 0.381 0.000 2.413 199 C HA -0.108 4.354 4.460 0.003 0.000 0.292 199 C C 2.300 177.512 174.990 0.371 0.000 1.435 199 C CA 1.010 60.309 59.018 0.469 0.000 1.791 199 C CB -1.635 26.349 27.740 0.406 0.000 1.784 199 C HN 0.507 nan 8.230 nan 0.000 0.548 200 N N 0.467 119.348 118.700 0.302 0.000 2.305 200 N HA -0.032 4.710 4.740 0.003 0.000 0.179 200 N C 0.849 176.506 175.510 0.244 0.000 1.019 200 N CA 1.173 54.359 53.050 0.226 0.000 0.869 200 N CB -0.046 38.523 38.487 0.137 0.000 1.000 200 N HN 0.824 nan 8.380 nan 0.000 0.431 201 E N -0.556 119.819 120.200 0.292 0.000 3.167 201 E HA 0.058 4.410 4.350 0.003 0.000 0.210 201 E C 0.226 177.024 176.600 0.331 0.000 1.004 201 E CA -0.370 56.190 56.400 0.265 0.000 1.256 201 E CB -0.421 29.407 29.700 0.214 0.000 1.193 201 E HN 0.174 nan 8.360 nan 0.000 0.448 202 F N 2.060 122.141 119.950 0.219 0.000 2.473 202 F HA -0.003 4.526 4.527 0.003 0.000 0.294 202 F C 2.096 177.932 175.800 0.060 0.000 1.103 202 F CA 1.140 59.234 58.000 0.156 0.000 1.442 202 F CB 0.275 39.349 39.000 0.123 0.000 1.097 202 F HN 0.177 nan 8.300 nan 0.000 0.547 203 S N -0.447 115.310 115.700 0.094 0.000 2.442 203 S HA -0.264 4.208 4.470 0.003 0.000 0.236 203 S C 1.959 176.589 174.600 0.051 0.000 1.007 203 S CA 1.276 59.583 58.200 0.178 0.000 0.965 203 S CB -0.753 62.645 63.200 0.330 0.000 0.773 203 S HN 0.704 nan 8.310 nan 0.000 0.504 204 Q N 0.876 120.689 119.800 0.020 0.000 2.331 204 Q HA 0.133 4.475 4.340 0.003 0.000 0.203 204 Q C 2.015 177.970 176.000 -0.075 0.000 0.944 204 Q CA 1.121 56.921 55.803 -0.005 0.000 0.892 204 Q CB -0.141 28.613 28.738 0.026 0.000 0.983 204 Q HN 0.934 nan 8.270 nan 0.000 0.482 205 I N -3.478 117.006 120.570 -0.143 0.000 3.462 205 I HA 0.105 4.277 4.170 0.003 0.000 0.290 205 I C 1.661 177.582 176.117 -0.327 0.000 1.236 205 I CA 0.084 61.270 61.300 -0.190 0.000 1.418 205 I CB -0.182 37.765 38.000 -0.089 0.000 1.102 205 I HN -0.003 nan 8.210 nan 0.000 0.441 206 F N 2.353 121.901 119.950 -0.671 0.000 2.407 206 F HA -0.066 4.463 4.527 0.003 0.000 0.299 206 F C 2.531 178.169 175.800 -0.269 0.000 1.097 206 F CA 1.604 59.225 58.000 -0.633 0.000 1.422 206 F CB -0.235 38.267 39.000 -0.831 0.000 1.067 206 F HN 0.167 nan 8.300 nan 0.000 0.539 207 Q N 0.457 120.142 119.800 -0.192 0.000 2.084 207 Q HA -0.228 4.114 4.340 0.003 0.000 0.202 207 Q C 2.314 178.202 176.000 -0.187 0.000 0.978 207 Q CA 2.025 57.730 55.803 -0.163 0.000 0.844 207 Q CB -0.412 28.283 28.738 -0.072 0.000 0.898 207 Q HN 0.623 nan 8.270 nan 0.000 0.426 208 L N 0.107 121.213 121.223 -0.195 0.000 2.156 208 L HA -0.163 4.179 4.340 0.003 0.000 0.208 208 L C 2.325 179.126 176.870 -0.115 0.000 1.095 208 L CA 0.834 55.582 54.840 -0.154 0.000 0.770 208 L CB -0.168 41.787 42.059 -0.174 0.000 0.914 208 L HN 0.431 nan 8.230 nan 0.000 0.439 209 C N -0.569 118.567 119.300 -0.272 0.000 2.442 209 C HA -0.191 4.271 4.460 0.003 0.000 0.279 209 C C 2.652 177.442 174.990 -0.332 0.000 1.237 209 C CA 0.990 59.816 59.018 -0.319 0.000 1.722 209 C CB -0.795 26.674 27.740 -0.452 0.000 2.056 209 C HN 0.582 nan 8.230 nan 0.000 0.469 210 Q N 0.068 119.535 119.800 -0.555 0.000 2.248 210 Q HA -0.212 4.130 4.340 0.003 0.000 0.208 210 Q C 1.736 177.634 176.000 -0.170 0.000 0.984 210 Q CA 1.764 57.313 55.803 -0.424 0.000 0.875 210 Q CB -0.574 27.853 28.738 -0.517 0.000 0.910 210 Q HN 0.724 nan 8.270 nan 0.000 0.433 211 F N -1.088 118.718 119.950 -0.239 0.000 2.084 211 F HA -0.125 4.404 4.527 0.003 0.000 0.296 211 F C 1.718 177.451 175.800 -0.111 0.000 1.111 211 F CA 1.382 59.293 58.000 -0.149 0.000 1.224 211 F CB -0.246 38.674 39.000 -0.133 0.000 0.991 211 F HN -0.067 nan 8.300 nan 0.000 0.471 212 V N 0.874 120.833 119.914 0.074 0.000 2.759 212 V HA -0.295 3.827 4.120 0.003 0.000 0.256 212 V C 2.165 178.208 176.094 -0.085 0.000 1.080 212 V CA 1.877 64.177 62.300 -0.001 0.000 1.101 212 V CB -0.748 31.119 31.823 0.073 0.000 0.698 212 V HN 0.444 nan 8.190 nan 0.000 0.477 213 M N -1.168 118.378 119.600 -0.089 0.000 2.287 213 M HA -0.016 4.466 4.480 0.003 0.000 0.266 213 M C 2.214 178.515 176.300 0.003 0.000 1.079 213 M CA 1.200 56.509 55.300 0.014 0.000 1.146 213 M CB -0.254 32.337 32.600 -0.016 0.000 1.374 213 M HN 0.204 nan 8.290 nan 0.000 0.435 214 E N 0.482 120.604 120.200 -0.131 0.000 2.158 214 E HA -0.060 4.292 4.350 0.003 0.000 0.191 214 E C 1.146 177.607 176.600 -0.232 0.000 0.982 214 E CA 0.920 57.219 56.400 -0.168 0.000 0.823 214 E CB 0.075 29.665 29.700 -0.185 0.000 0.766 214 E HN 0.535 nan 8.360 nan 0.000 0.468 215 N N -0.169 118.329 118.700 -0.337 0.000 2.804 215 N HA -0.049 4.693 4.740 0.003 0.000 0.233 215 N C 0.603 175.976 175.510 -0.229 0.000 1.020 215 N CA 0.029 52.871 53.050 -0.346 0.000 1.164 215 N CB -0.775 37.350 38.487 -0.602 0.000 1.571 215 N HN -0.137 nan 8.380 nan 0.000 0.551 216 S N 0.901 116.468 115.700 -0.222 0.000 2.711 216 S HA -0.155 4.317 4.470 0.003 0.000 0.320 216 S C 0.963 175.534 174.600 -0.049 0.000 1.240 216 S CA 0.429 58.578 58.200 -0.086 0.000 1.034 216 S CB 0.462 63.650 63.200 -0.020 0.000 0.741 216 S HN 0.326 nan 8.310 nan 0.000 0.496 217 Q N 2.485 122.274 119.800 -0.017 0.000 2.281 217 Q HA 0.224 4.566 4.340 0.003 0.000 0.215 217 Q C 0.159 176.190 176.000 0.053 0.000 0.867 217 Q CA -0.111 55.693 55.803 0.002 0.000 0.940 217 Q CB 0.218 28.951 28.738 -0.008 0.000 1.111 217 Q HN 0.740 nan 8.270 nan 0.000 0.513 218 N N 0.394 119.132 118.700 0.062 0.000 2.434 218 N HA -0.018 4.724 4.740 0.003 0.000 0.268 218 N C 0.415 176.024 175.510 0.164 0.000 1.256 218 N CA 0.583 53.688 53.050 0.091 0.000 0.914 218 N CB 1.202 39.735 38.487 0.077 0.000 1.088 218 N HN 0.329 nan 8.380 nan 0.000 0.478 219 A N 7.014 129.949 122.820 0.191 0.000 1.841 219 A HA -0.023 4.299 4.320 0.003 0.000 0.214 219 A C -0.518 177.251 177.584 0.309 0.000 1.195 219 A CA 1.098 53.333 52.037 0.330 0.000 0.611 219 A CB -1.289 17.824 19.000 0.188 0.000 0.835 219 A HN 0.592 nan 8.150 nan 0.000 0.443 220 P HA -0.155 nan 4.420 nan 0.000 0.215 220 P C 1.744 179.158 177.300 0.190 0.000 1.157 220 P CA 1.107 64.280 63.100 0.121 0.000 0.868 220 P CB -0.153 31.579 31.700 0.053 0.000 0.788 221 L N -0.290 121.026 121.223 0.154 0.000 1.990 221 L HA -0.165 4.177 4.340 0.003 0.000 0.213 221 L C 2.165 179.129 176.870 0.157 0.000 1.072 221 L CA 2.061 56.981 54.840 0.133 0.000 0.755 221 L CB -1.351 40.767 42.059 0.099 0.000 0.889 221 L HN -0.181 nan 8.230 nan 0.000 0.432 222 V N -0.472 119.561 119.914 0.198 0.000 2.343 222 V HA -0.345 3.777 4.120 0.003 0.000 0.247 222 V C 2.570 178.806 176.094 0.236 0.000 1.051 222 V CA 2.063 64.455 62.300 0.153 0.000 1.036 222 V CB -0.992 30.893 31.823 0.104 0.000 0.654 222 V HN 0.750 nan 8.190 nan 0.000 0.451 223 H N 0.402 119.742 119.070 0.451 0.000 2.390 223 H HA -0.172 4.386 4.556 0.003 0.000 0.298 223 H C 2.115 177.537 175.328 0.158 0.000 1.106 223 H CA 2.013 58.296 56.048 0.392 0.000 1.297 223 H CB -0.114 29.761 29.762 0.188 0.000 1.375 223 H HN 0.400 nan 8.280 nan 0.000 0.509 224 A N -0.697 122.257 122.820 0.225 0.000 1.855 224 A HA -0.157 4.165 4.320 0.003 0.000 0.215 224 A C 2.480 180.094 177.584 0.050 0.000 1.191 224 A CA 1.918 54.032 52.037 0.129 0.000 0.613 224 A CB -1.064 18.016 19.000 0.134 0.000 0.829 224 A HN 0.547 nan 8.150 nan 0.000 0.442 225 T N -0.002 114.572 114.554 0.033 0.000 2.822 225 T HA -0.152 4.200 4.350 0.003 0.000 0.270 225 T C 1.679 176.322 174.700 -0.094 0.000 1.064 225 T CA 1.629 63.711 62.100 -0.029 0.000 1.131 225 T CB -0.243 68.596 68.868 -0.049 0.000 0.858 225 T HN 0.229 nan 8.240 nan 0.000 0.483 226 L N 0.568 121.712 121.223 -0.133 0.000 2.121 226 L HA 0.196 4.538 4.340 0.003 0.000 0.200 226 L C 2.504 179.293 176.870 -0.134 0.000 1.077 226 L CA 1.510 56.222 54.840 -0.214 0.000 0.766 226 L CB -0.643 41.228 42.059 -0.313 0.000 0.931 226 L HN 0.037 nan 8.230 nan 0.000 0.452 227 E N -0.413 119.694 120.200 -0.156 0.000 2.058 227 E HA -0.232 4.120 4.350 0.003 0.000 0.194 227 E C 1.899 178.518 176.600 0.032 0.000 0.997 227 E CA 2.040 58.385 56.400 -0.092 0.000 0.801 227 E CB -0.484 29.148 29.700 -0.113 0.000 0.746 227 E HN 0.529 nan 8.360 nan 0.000 0.450 228 T N -1.637 112.963 114.554 0.076 0.000 3.163 228 T HA -0.031 4.321 4.350 0.003 0.000 0.260 228 T C 1.679 176.577 174.700 0.330 0.000 1.156 228 T CA 0.807 63.020 62.100 0.189 0.000 1.072 228 T CB -0.196 68.790 68.868 0.197 0.000 0.937 228 T HN 0.261 nan 8.240 nan 0.000 0.528 229 L N -0.605 120.732 121.223 0.190 0.000 2.425 229 L HA 0.389 4.731 4.340 0.003 0.000 0.215 229 L C 2.030 179.028 176.870 0.215 0.000 1.065 229 L CA 0.169 55.133 54.840 0.206 0.000 0.842 229 L CB -0.178 41.872 42.059 -0.015 0.000 1.033 229 L HN 0.226 nan 8.230 nan 0.000 0.474 230 L N 0.465 121.754 121.223 0.111 0.000 2.189 230 L HA -0.179 4.163 4.340 0.003 0.000 0.214 230 L C 2.524 179.438 176.870 0.074 0.000 1.097 230 L CA 1.651 56.530 54.840 0.065 0.000 0.764 230 L CB -0.731 41.352 42.059 0.039 0.000 0.900 230 L HN 0.226 nan 8.230 nan 0.000 0.436 231 R N -0.958 119.616 120.500 0.122 0.000 2.115 231 R HA -0.059 4.283 4.340 0.003 0.000 0.226 231 R C 2.225 178.513 176.300 -0.019 0.000 1.100 231 R CA 1.422 57.554 56.100 0.053 0.000 0.980 231 R CB -1.173 29.145 30.300 0.030 0.000 0.875 231 R HN 0.413 nan 8.270 nan 0.000 0.445 232 F N 1.214 121.114 119.950 -0.082 0.000 2.186 232 F HA -0.057 4.472 4.527 0.003 0.000 0.299 232 F C 2.209 177.548 175.800 -0.767 0.000 1.090 232 F CA 0.750 58.476 58.000 -0.457 0.000 1.307 232 F CB -0.515 38.274 39.000 -0.353 0.000 1.019 232 F HN -0.127 nan 8.300 nan 0.000 0.489 233 L N 0.089 121.176 121.223 -0.227 0.000 2.447 233 L HA -0.233 4.109 4.340 0.003 0.000 0.225 233 L C 1.656 178.358 176.870 -0.279 0.000 1.148 233 L CA 0.791 55.471 54.840 -0.268 0.000 0.808 233 L CB -0.694 41.288 42.059 -0.128 0.000 0.928 233 L HN 0.273 nan 8.230 nan 0.000 0.448 234 N N -0.526 118.024 118.700 -0.249 0.000 2.463 234 N HA -0.095 4.647 4.740 0.003 0.000 0.181 234 N C 1.293 176.725 175.510 -0.130 0.000 1.078 234 N CA 1.246 54.219 53.050 -0.129 0.000 0.902 234 N CB 0.301 38.776 38.487 -0.020 0.000 0.970 234 N HN 0.682 nan 8.380 nan 0.000 0.451 235 W N 0.864 121.905 121.300 -0.432 0.000 3.900 235 W HA 0.282 4.944 4.660 0.003 0.000 0.186 235 W C 0.584 176.790 176.519 -0.521 0.000 1.082 235 W CA -0.392 56.594 57.345 -0.597 0.000 1.537 235 W CB -0.469 28.202 29.460 -1.314 0.000 0.639 235 W HN -0.276 nan 8.180 nan 0.000 0.912 236 I N 3.379 123.113 120.570 -1.394 0.000 2.993 236 I HA 0.121 4.293 4.170 0.003 0.000 0.301 236 I C -1.978 173.829 176.117 -0.516 0.000 1.229 236 I CA -1.062 59.462 61.300 -1.292 0.000 1.435 236 I CB -0.489 36.588 38.000 -1.540 0.000 1.328 236 I HN -0.349 nan 8.210 nan 0.000 0.584 237 P HA 0.077 nan 4.420 nan 0.000 0.267 237 P C 0.686 177.926 177.300 -0.100 0.000 1.200 237 P CA -0.143 62.939 63.100 -0.031 0.000 0.772 237 P CB 0.584 32.393 31.700 0.181 0.000 0.855 238 L N 1.496 122.644 121.223 -0.124 0.000 2.131 238 L HA -0.143 4.199 4.340 0.003 0.000 0.210 238 L C 2.590 179.252 176.870 -0.346 0.000 1.092 238 L CA 1.863 56.525 54.840 -0.297 0.000 0.759 238 L CB -1.322 40.658 42.059 -0.131 0.000 0.903 238 L HN 0.584 nan 8.230 nan 0.000 0.435 239 G N -0.344 108.355 108.800 -0.168 0.000 2.476 239 G HA2 -0.315 3.647 3.960 0.003 0.000 0.218 239 G HA3 -0.315 3.647 3.960 0.003 0.000 0.218 239 G C 1.255 175.965 174.900 -0.316 0.000 1.164 239 G CA 0.781 45.759 45.100 -0.204 0.000 0.768 239 G HN 0.353 nan 8.290 nan 0.000 0.560 240 Y N 0.381 120.472 120.300 -0.348 0.000 2.651 240 Y HA 0.070 4.622 4.550 0.003 0.000 0.296 240 Y C 2.324 177.930 175.900 -0.489 0.000 1.150 240 Y CA 0.462 58.202 58.100 -0.600 0.000 1.348 240 Y CB -0.105 37.853 38.460 -0.837 0.000 0.983 240 Y HN 0.221 nan 8.280 nan 0.000 0.555 241 I N -2.923 117.454 120.570 -0.321 0.000 3.196 241 I HA -0.081 4.091 4.170 0.003 0.000 0.248 241 I C 1.309 177.277 176.117 -0.249 0.000 1.105 241 I CA 0.203 61.284 61.300 -0.366 0.000 1.482 241 I CB -0.282 37.274 38.000 -0.741 0.000 1.400 241 I HN -0.085 nan 8.210 nan 0.000 0.464 242 F N 1.626 121.402 119.950 -0.289 0.000 2.234 242 F HA 0.003 4.532 4.527 0.003 0.000 0.296 242 F C 1.909 177.629 175.800 -0.133 0.000 1.089 242 F CA 0.658 58.462 58.000 -0.327 0.000 1.343 242 F CB -0.772 37.731 39.000 -0.827 0.000 1.040 242 F HN 0.063 nan 8.300 nan 0.000 0.498 243 E N -0.142 120.094 120.200 0.060 0.000 2.321 243 E HA 0.077 4.429 4.350 0.003 0.000 0.189 243 E C 0.236 176.866 176.600 0.050 0.000 1.125 243 E CA 0.181 56.631 56.400 0.083 0.000 1.005 243 E CB -0.127 29.605 29.700 0.054 0.000 1.140 243 E HN 0.086 nan 8.360 nan 0.000 0.457 244 T N -0.389 114.207 114.554 0.070 0.000 2.802 244 T HA 0.128 4.480 4.350 0.003 0.000 0.311 244 T C -1.217 173.551 174.700 0.114 0.000 1.405 244 T CA -0.871 61.288 62.100 0.098 0.000 1.016 244 T CB 1.167 70.128 68.868 0.154 0.000 1.352 244 T HN -0.133 nan 8.240 nan 0.000 0.498 245 K N 2.938 123.402 120.400 0.107 0.000 2.199 245 K HA 0.199 4.521 4.320 0.003 0.000 0.226 245 K C 0.431 177.101 176.600 0.116 0.000 1.237 245 K CA -0.077 56.272 56.287 0.103 0.000 1.170 245 K CB -0.040 32.505 32.500 0.075 0.000 1.418 245 K HN 0.275 nan 8.250 nan 0.000 0.255 246 L N 0.842 122.143 121.223 0.130 0.000 2.515 246 L HA 0.166 4.508 4.340 0.003 0.000 0.202 246 L C 1.433 178.367 176.870 0.107 0.000 1.056 246 L CA 0.911 55.828 54.840 0.129 0.000 0.847 246 L CB 0.138 42.301 42.059 0.174 0.000 1.131 246 L HN 0.344 nan 8.230 nan 0.000 0.484 247 I N -0.372 120.259 120.570 0.102 0.000 2.335 247 I HA -0.237 3.935 4.170 0.003 0.000 0.251 247 I C 2.090 178.259 176.117 0.086 0.000 1.129 247 I CA 1.397 62.754 61.300 0.094 0.000 1.402 247 I CB -0.779 37.287 38.000 0.110 0.000 1.069 247 I HN 0.199 nan 8.210 nan 0.000 0.424 248 S N 0.360 116.134 115.700 0.124 0.000 2.362 248 S HA -0.099 4.373 4.470 0.003 0.000 0.221 248 S C 2.048 176.797 174.600 0.249 0.000 1.032 248 S CA 1.655 59.966 58.200 0.185 0.000 0.973 248 S CB -0.468 62.902 63.200 0.283 0.000 0.849 248 S HN 0.433 nan 8.310 nan 0.000 0.465 249 T N 3.033 117.715 114.554 0.212 0.000 2.929 249 T HA 0.098 4.450 4.350 0.003 0.000 0.271 249 T C 1.606 176.474 174.700 0.279 0.000 1.085 249 T CA 0.728 62.958 62.100 0.217 0.000 1.125 249 T CB -0.349 68.615 68.868 0.159 0.000 0.874 249 T HN 0.225 nan 8.240 nan 0.000 0.494 250 L N -0.105 121.243 121.223 0.209 0.000 2.131 250 L HA 0.096 4.438 4.340 0.003 0.000 0.206 250 L C 2.275 179.248 176.870 0.171 0.000 1.087 250 L CA 1.018 55.988 54.840 0.216 0.000 0.767 250 L CB -0.371 41.738 42.059 0.084 0.000 0.917 250 L HN 0.287 nan 8.230 nan 0.000 0.441 251 I N -1.959 118.632 120.570 0.035 0.000 2.339 251 I HA -0.229 3.943 4.170 0.003 0.000 0.245 251 I C 2.333 178.389 176.117 -0.102 0.000 1.096 251 I CA 1.055 62.296 61.300 -0.099 0.000 1.408 251 I CB -0.367 37.466 38.000 -0.278 0.000 1.092 251 I HN 0.067 nan 8.210 nan 0.000 0.423 252 Y N 1.056 121.353 120.300 -0.005 0.000 2.224 252 Y HA -0.191 4.361 4.550 0.003 0.000 0.289 252 Y C 2.572 178.397 175.900 -0.125 0.000 1.146 252 Y CA 1.491 59.559 58.100 -0.055 0.000 1.182 252 Y CB -0.251 38.175 38.460 -0.057 0.000 0.983 252 Y HN 0.057 nan 8.280 nan 0.000 0.524 253 K N -2.046 118.323 120.400 -0.052 0.000 2.370 253 K HA 0.119 4.441 4.320 0.003 0.000 0.194 253 K C 0.554 176.743 176.600 -0.684 0.000 1.070 253 K CA 0.354 56.375 56.287 -0.444 0.000 0.998 253 K CB 0.224 32.285 32.500 -0.731 0.000 0.911 253 K HN 0.174 nan 8.250 nan 0.000 0.533 254 F N -1.048 118.881 119.950 -0.036 0.000 2.699 254 F HA 0.110 4.639 4.527 0.003 0.000 0.295 254 F C 1.306 177.140 175.800 0.057 0.000 1.052 254 F CA -0.395 57.593 58.000 -0.019 0.000 1.239 254 F CB -0.033 38.923 39.000 -0.073 0.000 1.018 254 F HN -0.120 nan 8.300 nan 0.000 0.627 255 L N 1.820 123.151 121.223 0.179 0.000 2.191 255 L HA -0.157 4.185 4.340 0.003 0.000 0.212 255 L C 1.731 178.641 176.870 0.067 0.000 1.103 255 L CA 2.154 57.060 54.840 0.111 0.000 0.769 255 L CB -1.046 41.027 42.059 0.023 0.000 0.908 255 L HN 0.314 nan 8.230 nan 0.000 0.438 256 N N -1.549 117.175 118.700 0.039 0.000 2.395 256 N HA -0.024 4.718 4.740 0.003 0.000 0.175 256 N C 0.681 176.194 175.510 0.004 0.000 1.029 256 N CA 0.496 53.545 53.050 -0.001 0.000 0.897 256 N CB -0.440 38.040 38.487 -0.012 0.000 0.991 256 N HN 0.173 nan 8.380 nan 0.000 0.441 257 V N 0.483 120.438 119.914 0.068 0.000 2.715 257 V HA 0.214 4.336 4.120 0.003 0.000 0.299 257 V C -1.438 174.695 176.094 0.065 0.000 1.054 257 V CA -1.412 60.947 62.300 0.098 0.000 1.077 257 V CB 1.278 33.240 31.823 0.232 0.000 0.972 257 V HN -0.008 nan 8.190 nan 0.000 0.484 258 P HA -0.187 nan 4.420 nan 0.000 0.215 258 P C 1.726 178.990 177.300 -0.061 0.000 1.157 258 P CA 2.655 65.719 63.100 -0.060 0.000 0.874 258 P CB -0.038 31.623 31.700 -0.065 0.000 0.790 259 M N -4.107 115.435 119.600 -0.097 0.000 2.236 259 M HA 0.063 4.545 4.480 0.003 0.000 0.266 259 M C 1.065 177.245 176.300 -0.199 0.000 1.070 259 M CA 1.947 57.103 55.300 -0.240 0.000 1.137 259 M CB -1.010 31.312 32.600 -0.463 0.000 1.378 259 M HN -0.232 nan 8.290 nan 0.000 0.426 260 F N 0.792 120.846 119.950 0.172 0.000 2.692 260 F HA 0.347 4.876 4.527 0.003 0.000 0.303 260 F C 2.334 178.223 175.800 0.148 0.000 1.114 260 F CA -0.150 57.972 58.000 0.203 0.000 1.361 260 F CB -0.625 38.557 39.000 0.304 0.000 1.063 260 F HN 0.138 nan 8.300 nan 0.000 0.550 261 R N 0.932 121.560 120.500 0.214 0.000 2.070 261 R HA -0.148 4.194 4.340 0.003 0.000 0.232 261 R C 2.087 178.552 176.300 0.275 0.000 1.138 261 R CA 1.824 58.024 56.100 0.166 0.000 0.936 261 R CB -0.256 30.019 30.300 -0.042 0.000 0.839 261 R HN 0.218 nan 8.270 nan 0.000 0.429 262 N N -0.059 118.798 118.700 0.263 0.000 2.188 262 N HA -0.123 4.619 4.740 0.003 0.000 0.184 262 N C 1.837 177.437 175.510 0.150 0.000 1.018 262 N CA 1.377 54.583 53.050 0.259 0.000 0.858 262 N CB 0.065 38.681 38.487 0.214 0.000 0.989 262 N HN 0.090 nan 8.380 nan 0.000 0.426 263 V N 1.096 121.085 119.914 0.126 0.000 2.295 263 V HA -0.185 3.937 4.120 0.003 0.000 0.246 263 V C 2.236 178.347 176.094 0.029 0.000 1.049 263 V CA 1.584 63.907 62.300 0.038 0.000 1.024 263 V CB -0.602 31.188 31.823 -0.055 0.000 0.648 263 V HN 0.252 nan 8.190 nan 0.000 0.447 264 S N -0.136 115.605 115.700 0.068 0.000 2.406 264 S HA -0.083 4.389 4.470 0.003 0.000 0.228 264 S C 1.821 176.439 174.600 0.030 0.000 1.020 264 S CA 1.123 59.347 58.200 0.040 0.000 0.965 264 S CB -0.289 62.971 63.200 0.100 0.000 0.798 264 S HN 0.406 nan 8.310 nan 0.000 0.488 265 L N 2.019 123.266 121.223 0.040 0.000 2.027 265 L HA 0.047 4.389 4.340 0.003 0.000 0.206 265 L C 1.849 178.723 176.870 0.007 0.000 1.074 265 L CA 1.800 56.615 54.840 -0.042 0.000 0.745 265 L CB -0.416 41.590 42.059 -0.087 0.000 0.898 265 L HN 0.081 nan 8.230 nan 0.000 0.433 266 K N -1.744 118.676 120.400 0.033 0.000 2.439 266 K HA -0.082 4.240 4.320 0.003 0.000 0.197 266 K C 2.020 178.659 176.600 0.065 0.000 1.041 266 K CA 0.775 57.095 56.287 0.054 0.000 0.970 266 K CB -0.237 32.289 32.500 0.044 0.000 0.773 266 K HN 0.424 nan 8.250 nan 0.000 0.479 267 C N 0.487 119.819 119.300 0.053 0.000 2.500 267 C HA 0.034 4.496 4.460 0.003 0.000 0.279 267 C C 2.355 177.404 174.990 0.100 0.000 1.288 267 C CA 0.292 59.339 59.018 0.049 0.000 1.710 267 C CB -0.556 27.192 27.740 0.014 0.000 2.052 267 C HN 0.417 nan 8.230 nan 0.000 0.488 268 L N 0.495 121.802 121.223 0.140 0.000 2.093 268 L HA -0.130 4.212 4.340 0.003 0.000 0.208 268 L C 2.577 179.703 176.870 0.427 0.000 1.085 268 L CA 1.619 56.627 54.840 0.279 0.000 0.755 268 L CB -1.277 40.930 42.059 0.246 0.000 0.904 268 L HN 0.332 nan 8.230 nan 0.000 0.435 269 T N -0.909 113.887 114.554 0.403 0.000 2.803 269 T HA -0.144 4.208 4.350 0.003 0.000 0.269 269 T C 1.754 176.561 174.700 0.178 0.000 1.052 269 T CA 1.114 63.420 62.100 0.342 0.000 1.136 269 T CB -0.112 68.898 68.868 0.238 0.000 0.864 269 T HN 0.309 nan 8.240 nan 0.000 0.467 270 E N 0.850 121.134 120.200 0.141 0.000 2.076 270 E HA 0.092 4.444 4.350 0.003 0.000 0.190 270 E C 2.317 178.981 176.600 0.107 0.000 0.979 270 E CA 0.543 56.993 56.400 0.085 0.000 0.807 270 E CB -0.280 29.446 29.700 0.043 0.000 0.761 270 E HN 0.515 nan 8.360 nan 0.000 0.454 271 I N 1.252 121.909 120.570 0.145 0.000 2.286 271 I HA -0.208 3.964 4.170 0.003 0.000 0.248 271 I C 2.293 178.610 176.117 0.333 0.000 1.115 271 I CA 1.143 62.553 61.300 0.184 0.000 1.392 271 I CB -0.327 37.775 38.000 0.169 0.000 1.065 271 I HN -0.040 nan 8.210 nan 0.000 0.418 272 A N 0.734 123.754 122.820 0.333 0.000 2.206 272 A HA 0.079 4.401 4.320 0.003 0.000 0.211 272 A C 2.215 179.905 177.584 0.178 0.000 1.158 272 A CA 1.129 53.392 52.037 0.378 0.000 0.761 272 A CB -0.901 18.264 19.000 0.276 0.000 0.801 272 A HN 0.465 nan 8.150 nan 0.000 0.473 273 G N -0.670 108.195 108.800 0.108 0.000 2.920 273 G HA2 0.317 4.279 3.960 0.003 0.000 0.208 273 G HA3 0.317 4.279 3.960 0.003 0.000 0.208 273 G C 0.494 175.384 174.900 -0.017 0.000 1.159 273 G CA 0.552 45.645 45.100 -0.013 0.000 0.784 273 G HN 0.260 nan 8.290 nan 0.000 0.535 274 V N 0.493 120.472 119.914 0.109 0.000 2.997 274 V HA 0.371 4.493 4.120 0.003 0.000 0.311 274 V C 0.681 176.767 176.094 -0.013 0.000 1.066 274 V CA -0.785 61.588 62.300 0.122 0.000 1.039 274 V CB 1.559 33.566 31.823 0.308 0.000 1.081 274 V HN 0.105 nan 8.190 nan 0.000 0.467 275 S N 0.597 116.281 115.700 -0.027 0.000 2.568 275 S HA 0.100 4.572 4.470 0.003 0.000 0.282 275 S C 0.738 175.207 174.600 -0.219 0.000 1.338 275 S CA -0.145 57.969 58.200 -0.143 0.000 1.045 275 S CB 1.384 64.547 63.200 -0.061 0.000 0.873 275 S HN 0.685 nan 8.310 nan 0.000 0.516 276 V N 2.989 122.657 119.914 -0.409 0.000 3.590 276 V HA -0.046 4.076 4.120 0.003 0.000 0.265 276 V C 1.849 177.833 176.094 -0.184 0.000 1.239 276 V CA 1.283 63.210 62.300 -0.621 0.000 1.117 276 V CB -0.627 30.857 31.823 -0.564 0.000 0.818 276 V HN 0.999 nan 8.190 nan 0.000 0.451 277 S N -0.439 115.201 115.700 -0.100 0.000 2.441 277 S HA -0.338 4.134 4.470 0.003 0.000 0.242 277 S C 1.745 176.329 174.600 -0.027 0.000 1.018 277 S CA 2.125 60.294 58.200 -0.051 0.000 0.988 277 S CB -0.282 62.894 63.200 -0.039 0.000 0.778 277 S HN 0.794 nan 8.310 nan 0.000 0.498 278 Q N -0.396 119.412 119.800 0.013 0.000 2.499 278 Q HA 0.182 4.524 4.340 0.003 0.000 0.213 278 Q C 0.037 175.918 176.000 -0.199 0.000 0.929 278 Q CA 0.148 55.885 55.803 -0.109 0.000 0.904 278 Q CB 0.323 28.967 28.738 -0.155 0.000 1.052 278 Q HN 0.668 nan 8.270 nan 0.000 0.589 279 Y N 1.519 121.859 120.300 0.067 0.000 2.928 279 Y HA 0.159 4.711 4.550 0.003 0.000 0.390 279 Y C 1.064 177.008 175.900 0.074 0.000 1.101 279 Y CA -0.121 57.957 58.100 -0.038 0.000 1.777 279 Y CB 0.044 38.253 38.460 -0.417 0.000 1.720 279 Y HN 0.329 nan 8.280 nan 0.000 0.484 280 E N 1.011 121.300 120.200 0.148 0.000 2.219 280 E HA -0.291 4.061 4.350 0.003 0.000 0.198 280 E C 1.927 178.601 176.600 0.123 0.000 0.998 280 E CA 1.530 58.004 56.400 0.122 0.000 0.818 280 E CB 0.247 29.966 29.700 0.033 0.000 0.741 280 E HN 0.758 nan 8.360 nan 0.000 0.477 281 E N -0.292 119.961 120.200 0.088 0.000 2.046 281 E HA -0.210 4.142 4.350 0.003 0.000 0.190 281 E C 2.041 178.676 176.600 0.058 0.000 0.982 281 E CA 0.993 57.435 56.400 0.070 0.000 0.800 281 E CB 0.117 29.850 29.700 0.056 0.000 0.756 281 E HN 0.215 nan 8.360 nan 0.000 0.449 282 Q N -0.277 119.516 119.800 -0.011 0.000 2.119 282 Q HA -0.096 4.246 4.340 0.003 0.000 0.201 282 Q C 1.761 177.668 176.000 -0.155 0.000 0.972 282 Q CA 1.387 57.110 55.803 -0.135 0.000 0.847 282 Q CB -0.232 28.288 28.738 -0.364 0.000 0.903 282 Q HN 0.299 nan 8.270 nan 0.000 0.433 283 F N 0.758 120.634 119.950 -0.124 0.000 2.134 283 F HA -0.172 4.357 4.527 0.003 0.000 0.299 283 F C 2.277 178.163 175.800 0.142 0.000 1.097 283 F CA 1.506 59.463 58.000 -0.071 0.000 1.264 283 F CB -0.271 38.512 39.000 -0.360 0.000 1.001 283 F HN 0.203 nan 8.300 nan 0.000 0.479 284 E N 0.357 120.709 120.200 0.255 0.000 2.017 284 E HA -0.243 4.109 4.350 0.003 0.000 0.193 284 E C 2.196 178.925 176.600 0.215 0.000 0.997 284 E CA 2.292 58.828 56.400 0.225 0.000 0.804 284 E CB -0.242 29.543 29.700 0.143 0.000 0.757 284 E HN 0.434 nan 8.360 nan 0.000 0.448 285 T N 0.162 114.801 114.554 0.142 0.000 2.788 285 T HA -0.207 4.145 4.350 0.003 0.000 0.268 285 T C 1.986 176.742 174.700 0.094 0.000 1.044 285 T CA 1.252 63.413 62.100 0.103 0.000 1.139 285 T CB -0.472 68.442 68.868 0.077 0.000 0.867 285 T HN 0.202 nan 8.240 nan 0.000 0.454 286 L N 0.114 121.415 121.223 0.130 0.000 2.046 286 L HA 0.114 4.456 4.340 0.003 0.000 0.208 286 L C 2.139 179.092 176.870 0.139 0.000 1.077 286 L CA 1.502 56.429 54.840 0.145 0.000 0.747 286 L CB -1.170 41.028 42.059 0.231 0.000 0.896 286 L HN 0.269 nan 8.230 nan 0.000 0.432 287 F N 0.469 120.401 119.950 -0.030 0.000 2.031 287 F HA -0.231 4.298 4.527 0.003 0.000 0.295 287 F C 2.680 178.400 175.800 -0.134 0.000 1.133 287 F CA 2.527 60.349 58.000 -0.297 0.000 1.188 287 F CB -1.016 37.724 39.000 -0.435 0.000 0.974 287 F HN 0.322 nan 8.300 nan 0.000 0.473 288 T N -0.680 113.855 114.554 -0.030 0.000 2.708 288 T HA -0.243 4.109 4.350 0.003 0.000 0.266 288 T C 1.984 176.602 174.700 -0.136 0.000 1.037 288 T CA 1.507 63.542 62.100 -0.107 0.000 1.146 288 T CB -1.157 67.732 68.868 0.036 0.000 0.865 288 T HN 0.244 nan 8.240 nan 0.000 0.435 289 L N 1.485 122.651 121.223 -0.096 0.000 2.127 289 L HA -0.041 4.301 4.340 0.003 0.000 0.211 289 L C 2.653 179.400 176.870 -0.206 0.000 1.089 289 L CA 1.785 56.533 54.840 -0.154 0.000 0.757 289 L CB -0.828 41.117 42.059 -0.191 0.000 0.899 289 L HN 0.380 nan 8.230 nan 0.000 0.434 290 T N -2.071 112.360 114.554 -0.205 0.000 2.983 290 T HA -0.019 4.333 4.350 0.003 0.000 0.250 290 T C 1.871 176.429 174.700 -0.237 0.000 1.037 290 T CA 0.507 62.469 62.100 -0.230 0.000 1.142 290 T CB 0.023 68.743 68.868 -0.247 0.000 0.876 290 T HN 0.066 nan 8.240 nan 0.000 0.455 291 M N 2.030 121.439 119.600 -0.319 0.000 2.195 291 M HA -0.065 4.417 4.480 0.003 0.000 0.260 291 M C 2.359 178.592 176.300 -0.110 0.000 1.066 291 M CA 1.573 56.705 55.300 -0.281 0.000 1.089 291 M CB -1.033 31.249 32.600 -0.531 0.000 1.377 291 M HN 0.462 nan 8.290 nan 0.000 0.411 292 M N -1.775 117.756 119.600 -0.115 0.000 2.288 292 M HA -0.092 4.390 4.480 0.003 0.000 0.266 292 M C 1.919 178.196 176.300 -0.037 0.000 1.072 292 M CA 1.463 56.731 55.300 -0.053 0.000 1.132 292 M CB -0.685 31.885 32.600 -0.049 0.000 1.386 292 M HN -0.013 nan 8.290 nan 0.000 0.432 293 Q N 1.011 120.766 119.800 -0.076 0.000 2.291 293 Q HA -0.002 4.340 4.340 0.003 0.000 0.205 293 Q C 1.708 177.683 176.000 -0.041 0.000 0.970 293 Q CA 1.450 57.213 55.803 -0.066 0.000 0.876 293 Q CB -0.239 28.434 28.738 -0.109 0.000 0.935 293 Q HN 0.564 nan 8.270 nan 0.000 0.455 294 L N -0.024 121.176 121.223 -0.040 0.000 2.240 294 L HA -0.007 4.335 4.340 0.003 0.000 0.211 294 L C 2.058 178.981 176.870 0.089 0.000 1.106 294 L CA 1.436 56.261 54.840 -0.025 0.000 0.793 294 L CB -0.498 41.482 42.059 -0.132 0.000 0.927 294 L HN 0.156 nan 8.230 nan 0.000 0.446 295 K N -0.289 120.189 120.400 0.130 0.000 2.211 295 K HA -0.143 4.179 4.320 0.003 0.000 0.203 295 K C 1.409 178.055 176.600 0.076 0.000 1.050 295 K CA 1.137 57.508 56.287 0.140 0.000 0.945 295 K CB 0.091 32.637 32.500 0.077 0.000 0.732 295 K HN 0.383 nan 8.250 nan 0.000 0.451 296 Q N -0.600 119.223 119.800 0.038 0.000 2.212 296 Q HA 0.153 4.495 4.340 0.003 0.000 0.213 296 Q C 0.568 176.570 176.000 0.003 0.000 0.874 296 Q CA 0.020 55.833 55.803 0.017 0.000 0.965 296 Q CB 0.544 29.285 28.738 0.004 0.000 1.074 296 Q HN 0.354 nan 8.270 nan 0.000 0.473 297 M N -0.485 119.121 119.600 0.011 0.000 2.151 297 M HA 0.245 4.727 4.480 0.003 0.000 0.382 297 M C -0.722 175.581 176.300 0.004 0.000 0.861 297 M CA 0.262 55.547 55.300 -0.024 0.000 1.088 297 M CB 1.488 34.050 32.600 -0.064 0.000 2.060 297 M HN -0.024 nan 8.290 nan 0.000 0.695 298 L N 1.277 122.543 121.223 0.071 0.000 2.596 298 L HA 0.455 4.797 4.340 0.003 0.000 0.265 298 L C -2.716 174.272 176.870 0.197 0.000 0.962 298 L CA -1.608 53.314 54.840 0.137 0.000 0.891 298 L CB 2.138 44.289 42.059 0.153 0.000 1.248 298 L HN -0.252 nan 8.230 nan 0.000 0.410 299 P HA 0.070 nan 4.420 nan 0.000 0.263 299 P C 0.449 177.836 177.300 0.145 0.000 1.195 299 P CA -0.319 62.848 63.100 0.112 0.000 0.762 299 P CB 0.612 32.359 31.700 0.079 0.000 0.799 300 L N 2.630 123.894 121.223 0.068 0.000 2.700 300 L HA -0.088 4.254 4.340 0.003 0.000 0.240 300 L C 1.665 178.556 176.870 0.034 0.000 1.162 300 L CA 1.328 56.148 54.840 -0.033 0.000 0.874 300 L CB -1.255 40.672 42.059 -0.219 0.000 1.001 300 L HN 0.483 nan 8.230 nan 0.000 0.447 301 N N -2.588 116.161 118.700 0.082 0.000 2.297 301 N HA -0.006 4.736 4.740 0.003 0.000 0.208 301 N C 0.441 176.020 175.510 0.115 0.000 1.176 301 N CA 0.384 53.493 53.050 0.098 0.000 0.882 301 N CB -0.353 38.170 38.487 0.059 0.000 1.134 301 N HN 0.232 nan 8.380 nan 0.000 0.489 302 T N 1.033 115.658 114.554 0.120 0.000 2.891 302 T HA -0.059 4.293 4.350 0.003 0.000 0.296 302 T C 0.343 175.117 174.700 0.124 0.000 1.025 302 T CA -0.453 61.714 62.100 0.112 0.000 1.149 302 T CB 0.257 69.193 68.868 0.114 0.000 1.007 302 T HN 0.149 nan 8.240 nan 0.000 0.528 303 N N 2.681 121.441 118.700 0.101 0.000 2.429 303 N HA -0.034 4.708 4.740 0.003 0.000 0.271 303 N C 0.984 176.563 175.510 0.116 0.000 1.272 303 N CA -0.561 52.549 53.050 0.100 0.000 0.921 303 N CB -0.024 38.510 38.487 0.078 0.000 1.128 303 N HN 0.526 nan 8.380 nan 0.000 0.481 304 I N 3.450 124.100 120.570 0.133 0.000 2.406 304 I HA -0.133 4.039 4.170 0.003 0.000 0.249 304 I C 2.262 178.469 176.117 0.151 0.000 1.122 304 I CA 0.705 62.096 61.300 0.153 0.000 1.431 304 I CB -0.757 37.343 38.000 0.166 0.000 1.087 304 I HN 0.639 nan 8.210 nan 0.000 0.424 305 R N 1.202 121.772 120.500 0.118 0.000 2.105 305 R HA -0.125 4.217 4.340 0.003 0.000 0.239 305 R C 2.136 178.519 176.300 0.139 0.000 1.135 305 R CA 1.237 57.403 56.100 0.110 0.000 0.967 305 R CB -0.056 30.284 30.300 0.067 0.000 0.861 305 R HN 0.315 nan 8.270 nan 0.000 0.442 306 L N -0.234 121.057 121.223 0.114 0.000 2.418 306 L HA 0.100 4.442 4.340 0.003 0.000 0.218 306 L C 2.273 179.205 176.870 0.104 0.000 1.125 306 L CA 0.472 55.371 54.840 0.098 0.000 0.835 306 L CB -0.084 42.018 42.059 0.071 0.000 0.953 306 L HN 0.259 nan 8.230 nan 0.000 0.454 307 A N -1.183 121.714 122.820 0.129 0.000 2.119 307 A HA -0.182 4.140 4.320 0.003 0.000 0.216 307 A C 1.953 179.624 177.584 0.145 0.000 1.152 307 A CA 0.901 53.010 52.037 0.120 0.000 0.708 307 A CB -0.293 18.786 19.000 0.132 0.000 0.805 307 A HN 0.435 nan 8.150 nan 0.000 0.460 308 Y N -0.303 120.032 120.300 0.059 0.000 2.396 308 Y HA 0.032 4.584 4.550 0.003 0.000 0.292 308 Y C 2.595 178.523 175.900 0.045 0.000 1.128 308 Y CA 1.211 59.346 58.100 0.059 0.000 1.194 308 Y CB 0.195 38.696 38.460 0.068 0.000 1.124 308 Y HN 0.265 nan 8.280 nan 0.000 0.543 309 S N 1.088 116.920 115.700 0.221 0.000 2.419 309 S HA -0.150 4.322 4.470 0.003 0.000 0.235 309 S C 0.149 174.776 174.600 0.045 0.000 1.019 309 S CA 1.406 59.686 58.200 0.133 0.000 0.982 309 S CB -0.600 62.666 63.200 0.110 0.000 0.789 309 S HN 0.625 nan 8.310 nan 0.000 0.490 310 N N -0.008 118.707 118.700 0.023 0.000 2.685 310 N HA 0.430 5.172 4.740 0.003 0.000 0.252 310 N C -0.783 174.711 175.510 -0.026 0.000 1.261 310 N CA -0.412 52.634 53.050 -0.007 0.000 0.768 310 N CB 1.211 39.704 38.487 0.009 0.000 1.304 310 N HN 0.183 nan 8.380 nan 0.000 0.536 311 G N 1.061 109.818 108.800 -0.071 0.000 2.768 311 G HA2 0.254 4.216 3.960 0.003 0.000 0.297 311 G HA3 0.254 4.216 3.960 0.003 0.000 0.297 311 G C -0.730 174.108 174.900 -0.104 0.000 1.430 311 G CA -0.700 44.355 45.100 -0.075 0.000 1.030 311 G HN 0.202 nan 8.290 nan 0.000 0.553 312 K N 0.503 120.860 120.400 -0.073 0.000 2.285 312 K HA 0.050 4.372 4.320 0.003 0.000 0.255 312 K C 0.688 177.241 176.600 -0.079 0.000 1.000 312 K CA 0.276 56.522 56.287 -0.069 0.000 0.887 312 K CB 0.748 33.217 32.500 -0.051 0.000 0.997 312 K HN 0.544 nan 8.250 nan 0.000 0.510 313 D N 0.877 121.239 120.400 -0.063 0.000 2.116 313 D HA -0.209 4.433 4.640 0.003 0.000 0.193 313 D C 1.350 177.639 176.300 -0.019 0.000 0.998 313 D CA 1.610 55.581 54.000 -0.048 0.000 0.836 313 D CB -0.061 40.722 40.800 -0.028 0.000 0.951 313 D HN 0.567 nan 8.370 nan 0.000 0.449 314 D N -0.285 120.106 120.400 -0.015 0.000 2.221 314 D HA -0.185 4.457 4.640 0.003 0.000 0.204 314 D C 1.777 178.094 176.300 0.029 0.000 0.982 314 D CA 0.968 54.972 54.000 0.007 0.000 0.857 314 D CB 0.097 40.884 40.800 -0.021 0.000 0.934 314 D HN 0.135 nan 8.370 nan 0.000 0.475 315 E N -0.177 120.023 120.200 0.000 0.000 2.057 315 E HA -0.039 4.313 4.350 0.003 0.000 0.190 315 E C 2.140 178.791 176.600 0.086 0.000 0.969 315 E CA 0.880 57.293 56.400 0.022 0.000 0.812 315 E CB -0.155 29.531 29.700 -0.024 0.000 0.777 315 E HN 0.293 nan 8.360 nan 0.000 0.455 316 Q N 0.240 120.021 119.800 -0.031 0.000 2.077 316 Q HA -0.205 4.137 4.340 0.003 0.000 0.206 316 Q C 2.058 178.163 176.000 0.175 0.000 0.989 316 Q CA 1.973 57.725 55.803 -0.084 0.000 0.853 316 Q CB -0.369 28.121 28.738 -0.413 0.000 0.907 316 Q HN 0.366 nan 8.270 nan 0.000 0.418 317 N N -0.134 118.644 118.700 0.131 0.000 2.149 317 N HA -0.179 4.563 4.740 0.003 0.000 0.188 317 N C 1.518 177.132 175.510 0.173 0.000 1.019 317 N CA 0.961 54.100 53.050 0.150 0.000 0.857 317 N CB -0.213 38.340 38.487 0.111 0.000 0.997 317 N HN 0.150 nan 8.380 nan 0.000 0.426 318 F N 1.866 121.852 119.950 0.061 0.000 2.095 318 F HA -0.144 4.385 4.527 0.003 0.000 0.298 318 F C 1.896 177.732 175.800 0.060 0.000 1.104 318 F CA 1.304 59.331 58.000 0.045 0.000 1.232 318 F CB -0.236 38.777 39.000 0.021 0.000 0.987 318 F HN -0.016 nan 8.300 nan 0.000 0.475 319 I N 0.123 120.833 120.570 0.233 0.000 2.248 319 I HA -0.365 3.807 4.170 0.003 0.000 0.248 319 I C 2.552 178.686 176.117 0.027 0.000 1.107 319 I CA 1.845 63.232 61.300 0.146 0.000 1.373 319 I CB -0.737 37.447 38.000 0.307 0.000 1.055 319 I HN 0.373 nan 8.210 nan 0.000 0.418 320 Q N 1.357 121.203 119.800 0.077 0.000 2.046 320 Q HA -0.217 4.125 4.340 0.003 0.000 0.200 320 Q C 1.898 177.880 176.000 -0.030 0.000 0.975 320 Q CA 2.042 57.870 55.803 0.041 0.000 0.836 320 Q CB -0.029 28.763 28.738 0.091 0.000 0.896 320 Q HN 0.578 nan 8.270 nan 0.000 0.428 321 N N 0.619 119.272 118.700 -0.078 0.000 2.104 321 N HA -0.176 4.566 4.740 0.003 0.000 0.190 321 N C 1.907 177.321 175.510 -0.159 0.000 1.024 321 N CA 1.197 54.181 53.050 -0.110 0.000 0.853 321 N CB -0.192 38.214 38.487 -0.136 0.000 1.008 321 N HN 0.238 nan 8.380 nan 0.000 0.424 322 L N 0.333 121.350 121.223 -0.343 0.000 2.046 322 L HA -0.153 4.189 4.340 0.003 0.000 0.208 322 L C 2.311 179.139 176.870 -0.069 0.000 1.077 322 L CA 1.296 55.961 54.840 -0.292 0.000 0.747 322 L CB -0.448 41.328 42.059 -0.471 0.000 0.896 322 L HN 0.116 nan 8.230 nan 0.000 0.432 323 S N -0.443 115.219 115.700 -0.064 0.000 2.400 323 S HA -0.174 4.298 4.470 0.003 0.000 0.232 323 S C 1.920 176.501 174.600 -0.032 0.000 1.025 323 S CA 1.543 59.725 58.200 -0.028 0.000 0.993 323 S CB -0.406 62.786 63.200 -0.013 0.000 0.808 323 S HN 0.510 nan 8.310 nan 0.000 0.478 324 L N -0.361 120.854 121.223 -0.012 0.000 2.023 324 L HA 0.026 4.368 4.340 0.003 0.000 0.205 324 L C 2.252 179.141 176.870 0.032 0.000 1.073 324 L CA 1.602 56.441 54.840 -0.001 0.000 0.745 324 L CB -0.656 41.412 42.059 0.015 0.000 0.900 324 L HN 0.379 nan 8.230 nan 0.000 0.435 325 F N 0.777 120.693 119.950 -0.056 0.000 2.120 325 F HA -0.267 4.262 4.527 0.003 0.000 0.300 325 F C 2.177 178.003 175.800 0.044 0.000 1.095 325 F CA 1.659 59.663 58.000 0.006 0.000 1.249 325 F CB -0.131 38.852 39.000 -0.029 0.000 0.995 325 F HN -0.110 nan 8.300 nan 0.000 0.480 326 L N -0.866 120.401 121.223 0.072 0.000 2.027 326 L HA -0.234 4.108 4.340 0.003 0.000 0.206 326 L C 2.814 179.524 176.870 -0.266 0.000 1.074 326 L CA 1.292 56.099 54.840 -0.055 0.000 0.745 326 L CB -1.225 40.827 42.059 -0.012 0.000 0.898 326 L HN 0.379 nan 8.230 nan 0.000 0.433 327 C N -0.164 118.977 119.300 -0.265 0.000 2.422 327 C HA -0.143 4.319 4.460 0.003 0.000 0.279 327 C C 2.920 177.773 174.990 -0.228 0.000 1.305 327 C CA 1.582 60.411 59.018 -0.315 0.000 1.757 327 C CB -0.725 26.905 27.740 -0.183 0.000 1.962 327 C HN 0.522 nan 8.230 nan 0.000 0.499 328 T N -0.229 114.217 114.554 -0.180 0.000 2.698 328 T HA -0.081 4.271 4.350 0.003 0.000 0.260 328 T C 1.458 176.048 174.700 -0.182 0.000 1.044 328 T CA 1.815 63.814 62.100 -0.169 0.000 1.149 328 T CB -0.553 68.239 68.868 -0.126 0.000 0.864 328 T HN 0.603 nan 8.240 nan 0.000 0.419 329 F N 1.289 121.045 119.950 -0.323 0.000 2.084 329 F HA 0.021 4.550 4.527 0.003 0.000 0.296 329 F C 2.055 177.787 175.800 -0.115 0.000 1.111 329 F CA 1.123 59.033 58.000 -0.151 0.000 1.224 329 F CB -0.227 38.589 39.000 -0.307 0.000 0.991 329 F HN 0.020 nan 8.300 nan 0.000 0.471 330 L N 0.169 121.434 121.223 0.070 0.000 2.131 330 L HA -0.247 4.095 4.340 0.003 0.000 0.210 330 L C 2.401 179.325 176.870 0.090 0.000 1.092 330 L CA 1.676 56.522 54.840 0.010 0.000 0.759 330 L CB -0.654 41.179 42.059 -0.376 0.000 0.903 330 L HN 0.144 nan 8.230 nan 0.000 0.435 331 K N 0.227 120.616 120.400 -0.018 0.000 2.186 331 K HA -0.163 4.159 4.320 0.003 0.000 0.202 331 K C 1.733 178.217 176.600 -0.193 0.000 1.052 331 K CA 0.966 57.232 56.287 -0.035 0.000 0.965 331 K CB 0.296 32.654 32.500 -0.236 0.000 0.746 331 K HN 0.004 nan 8.250 nan 0.000 0.457 332 E N -0.274 119.710 120.200 -0.361 0.000 2.463 332 E HA 0.003 4.355 4.350 0.003 0.000 0.193 332 E C -0.388 175.602 176.600 -1.017 0.000 1.041 332 E CA 0.266 56.282 56.400 -0.640 0.000 0.879 332 E CB 0.367 29.623 29.700 -0.740 0.000 0.997 332 E HN 0.319 nan 8.360 nan 0.000 0.478 333 H N -2.301 116.595 119.070 -0.291 0.000 3.043 333 H HA 0.236 4.794 4.556 0.003 0.000 0.244 333 H C 1.167 176.421 175.328 -0.124 0.000 1.199 333 H CA 0.412 56.270 56.048 -0.316 0.000 0.956 333 H CB 0.576 29.985 29.762 -0.587 0.000 2.305 333 H HN 0.185 nan 8.280 nan 0.000 0.665 334 G N 0.862 109.682 108.800 0.033 0.000 2.498 334 G HA2 -0.291 3.671 3.960 0.003 0.000 0.219 334 G HA3 -0.291 3.671 3.960 0.003 0.000 0.219 334 G C 1.587 176.526 174.900 0.064 0.000 1.119 334 G CA 0.942 46.100 45.100 0.096 0.000 0.766 334 G HN 0.284 nan 8.290 nan 0.000 0.552 335 Q N -0.034 119.776 119.800 0.017 0.000 2.008 335 Q HA 0.063 4.405 4.340 0.003 0.000 0.196 335 Q C 2.260 178.266 176.000 0.010 0.000 0.973 335 Q CA 0.901 56.707 55.803 0.006 0.000 0.826 335 Q CB -0.666 28.055 28.738 -0.028 0.000 0.894 335 Q HN 0.270 nan 8.270 nan 0.000 0.439 336 L N -0.019 121.202 121.223 -0.003 0.000 2.362 336 L HA 0.041 4.383 4.340 0.003 0.000 0.219 336 L C 1.603 178.475 176.870 0.003 0.000 1.134 336 L CA 1.452 56.289 54.840 -0.006 0.000 0.807 336 L CB -0.232 41.806 42.059 -0.035 0.000 0.927 336 L HN 0.393 nan 8.230 nan 0.000 0.447 337 L N -1.629 119.595 121.223 0.002 0.000 2.307 337 L HA 0.003 4.345 4.340 0.003 0.000 0.211 337 L C 2.229 179.123 176.870 0.039 0.000 1.099 337 L CA 0.494 55.326 54.840 -0.012 0.000 0.816 337 L CB -0.212 41.813 42.059 -0.057 0.000 0.952 337 L HN 0.274 nan 8.230 nan 0.000 0.455 338 E N 0.749 120.984 120.200 0.058 0.000 2.060 338 E HA -0.160 4.192 4.350 0.003 0.000 0.189 338 E C 2.038 178.661 176.600 0.039 0.000 0.974 338 E CA 0.877 57.314 56.400 0.062 0.000 0.808 338 E CB 0.168 29.924 29.700 0.092 0.000 0.768 338 E HN 0.475 nan 8.360 nan 0.000 0.453 339 K N 0.856 121.275 120.400 0.033 0.000 1.973 339 K HA -0.044 4.278 4.320 0.003 0.000 0.212 339 K C 0.895 177.510 176.600 0.025 0.000 1.047 339 K CA 0.754 57.056 56.287 0.024 0.000 0.937 339 K CB -0.276 32.235 32.500 0.017 0.000 0.721 339 K HN -0.194 nan 8.250 nan 0.000 0.440 340 R N 1.852 122.370 120.500 0.029 0.000 2.561 340 R HA -0.036 4.306 4.340 0.003 0.000 0.347 340 R C 1.181 177.505 176.300 0.040 0.000 0.916 340 R CA 0.237 56.359 56.100 0.036 0.000 1.063 340 R CB -0.123 30.205 30.300 0.046 0.000 0.916 340 R HN 0.445 nan 8.270 nan 0.000 0.410 341 L N 3.393 124.636 121.223 0.034 0.000 2.156 341 L HA -0.183 4.159 4.340 0.003 0.000 0.208 341 L C 1.842 178.735 176.870 0.039 0.000 1.095 341 L CA 1.114 55.973 54.840 0.031 0.000 0.770 341 L CB -0.079 41.994 42.059 0.022 0.000 0.914 341 L HN 0.599 nan 8.230 nan 0.000 0.439 342 N N -0.298 118.428 118.700 0.045 0.000 2.571 342 N HA -0.148 4.594 4.740 0.003 0.000 0.189 342 N C 1.165 176.719 175.510 0.073 0.000 1.154 342 N CA 0.710 53.791 53.050 0.051 0.000 0.907 342 N CB 0.154 38.669 38.487 0.047 0.000 0.977 342 N HN 0.290 nan 8.380 nan 0.000 0.449 343 L N -0.117 121.158 121.223 0.086 0.000 2.701 343 L HA 0.306 4.648 4.340 0.003 0.000 0.238 343 L C 2.275 179.233 176.870 0.147 0.000 1.106 343 L CA 0.059 54.981 54.840 0.136 0.000 0.898 343 L CB -0.252 41.893 42.059 0.143 0.000 1.188 343 L HN 0.016 nan 8.230 nan 0.000 0.508 344 R N 0.246 120.802 120.500 0.092 0.000 2.200 344 R HA -0.247 4.095 4.340 0.003 0.000 0.234 344 R C 2.003 178.356 176.300 0.088 0.000 1.127 344 R CA 1.495 57.641 56.100 0.077 0.000 0.989 344 R CB 0.175 30.494 30.300 0.032 0.000 0.869 344 R HN 0.403 nan 8.270 nan 0.000 0.459 345 E N 0.390 120.640 120.200 0.083 0.000 2.065 345 E HA -0.233 4.119 4.350 0.003 0.000 0.201 345 E C 1.469 178.117 176.600 0.081 0.000 1.016 345 E CA 2.346 58.784 56.400 0.065 0.000 0.818 345 E CB -0.304 29.429 29.700 0.054 0.000 0.749 345 E HN 0.386 nan 8.360 nan 0.000 0.453 346 A N -0.277 122.629 122.820 0.143 0.000 2.044 346 A HA 0.157 4.479 4.320 0.003 0.000 0.213 346 A C 2.066 179.835 177.584 0.308 0.000 1.169 346 A CA 0.674 52.791 52.037 0.133 0.000 0.724 346 A CB -0.501 18.485 19.000 -0.023 0.000 0.840 346 A HN 0.366 nan 8.150 nan 0.000 0.463 347 L N -0.603 120.858 121.223 0.396 0.000 2.081 347 L HA -0.168 4.174 4.340 0.003 0.000 0.212 347 L C 2.054 179.091 176.870 0.277 0.000 1.080 347 L CA 2.129 57.185 54.840 0.360 0.000 0.754 347 L CB -0.429 41.751 42.059 0.202 0.000 0.893 347 L HN 0.314 nan 8.230 nan 0.000 0.433 348 M N -1.340 118.369 119.600 0.183 0.000 2.334 348 M HA -0.040 4.442 4.480 0.003 0.000 0.266 348 M C 2.138 178.529 176.300 0.151 0.000 1.082 348 M CA 1.025 56.421 55.300 0.159 0.000 1.141 348 M CB -1.066 31.586 32.600 0.087 0.000 1.380 348 M HN 0.396 nan 8.290 nan 0.000 0.440 349 E N 0.357 120.611 120.200 0.090 0.000 2.347 349 E HA -0.040 4.312 4.350 0.003 0.000 0.196 349 E C 1.727 178.351 176.600 0.041 0.000 1.008 349 E CA 0.923 57.317 56.400 -0.011 0.000 0.852 349 E CB 0.302 29.974 29.700 -0.048 0.000 0.783 349 E HN 0.425 nan 8.360 nan 0.000 0.505 350 A N 0.140 123.077 122.820 0.194 0.000 1.942 350 A HA 0.035 4.357 4.320 0.003 0.000 0.209 350 A C 1.865 179.641 177.584 0.320 0.000 1.214 350 A CA 0.021 52.236 52.037 0.298 0.000 0.686 350 A CB -0.250 18.963 19.000 0.355 0.000 0.871 350 A HN 0.262 nan 8.150 nan 0.000 0.460 351 L N -0.408 121.016 121.223 0.335 0.000 2.127 351 L HA -0.190 4.152 4.340 0.003 0.000 0.211 351 L C 2.345 179.464 176.870 0.414 0.000 1.089 351 L CA 1.794 56.880 54.840 0.410 0.000 0.757 351 L CB -0.636 41.700 42.059 0.461 0.000 0.899 351 L HN 0.577 nan 8.230 nan 0.000 0.434 352 H N -2.419 116.777 119.070 0.210 0.000 2.363 352 H HA -0.157 4.401 4.556 0.003 0.000 0.301 352 H C 2.074 177.501 175.328 0.164 0.000 1.074 352 H CA 1.749 57.875 56.048 0.131 0.000 1.354 352 H CB 0.213 29.956 29.762 -0.032 0.000 1.397 352 H HN 0.268 nan 8.280 nan 0.000 0.516 353 Y N 0.177 120.648 120.300 0.285 0.000 2.181 353 Y HA -0.176 4.376 4.550 0.003 0.000 0.288 353 Y C 2.618 178.628 175.900 0.184 0.000 1.146 353 Y CA 0.819 59.042 58.100 0.205 0.000 1.164 353 Y CB -0.313 38.237 38.460 0.150 0.000 0.982 353 Y HN 0.167 nan 8.280 nan 0.000 0.515 354 M N -0.901 118.912 119.600 0.355 0.000 2.700 354 M HA -0.103 4.379 4.480 0.003 0.000 0.249 354 M C 1.406 178.002 176.300 0.494 0.000 1.082 354 M CA 0.981 56.440 55.300 0.265 0.000 1.077 354 M CB -0.670 31.951 32.600 0.035 0.000 1.477 354 M HN 0.306 nan 8.290 nan 0.000 0.529 355 L N -1.369 120.110 121.223 0.426 0.000 2.577 355 L HA 0.163 4.505 4.340 0.003 0.000 0.225 355 L C 1.735 178.719 176.870 0.190 0.000 1.053 355 L CA 0.899 55.945 54.840 0.344 0.000 0.866 355 L CB -0.092 42.041 42.059 0.123 0.000 1.132 355 L HN 0.135 nan 8.230 nan 0.000 0.486 356 L N -1.726 119.607 121.223 0.184 0.000 2.095 356 L HA -0.048 4.294 4.340 0.003 0.000 0.204 356 L C 2.362 179.347 176.870 0.192 0.000 1.080 356 L CA 0.984 55.930 54.840 0.176 0.000 0.759 356 L CB -0.528 41.675 42.059 0.240 0.000 0.914 356 L HN 0.113 nan 8.230 nan 0.000 0.439 357 V N -1.438 118.610 119.914 0.223 0.000 2.970 357 V HA -0.156 3.966 4.120 0.003 0.000 0.260 357 V C 2.291 178.502 176.094 0.195 0.000 1.100 357 V CA 1.514 63.922 62.300 0.179 0.000 1.122 357 V CB 0.323 32.238 31.823 0.155 0.000 0.721 357 V HN 0.390 nan 8.190 nan 0.000 0.483 358 S N -0.083 115.782 115.700 0.276 0.000 2.653 358 S HA 0.029 4.501 4.470 0.003 0.000 0.233 358 S C 1.012 175.800 174.600 0.314 0.000 0.970 358 S CA 0.569 59.007 58.200 0.397 0.000 0.947 358 S CB -0.432 63.120 63.200 0.586 0.000 0.771 358 S HN 0.809 nan 8.310 nan 0.000 0.538 359 E N 0.737 121.035 120.200 0.163 0.000 3.858 359 E HA 0.210 4.562 4.350 0.003 0.000 0.208 359 E C -1.174 175.428 176.600 0.003 0.000 1.041 359 E CA -0.185 56.244 56.400 0.048 0.000 1.368 359 E CB 1.286 31.011 29.700 0.041 0.000 1.176 359 E HN 0.188 nan 8.360 nan 0.000 0.448 360 V N 1.175 121.081 119.914 -0.013 0.000 2.716 360 V HA 0.097 4.219 4.120 0.003 0.000 0.304 360 V C 1.415 177.434 176.094 -0.125 0.000 1.053 360 V CA -0.539 61.705 62.300 -0.093 0.000 0.984 360 V CB 1.827 33.508 31.823 -0.238 0.000 1.021 360 V HN 0.251 nan 8.190 nan 0.000 0.467 361 E N 1.165 121.304 120.200 -0.102 0.000 2.072 361 E HA -0.114 4.238 4.350 0.003 0.000 0.191 361 E C 0.870 177.437 176.600 -0.056 0.000 0.985 361 E CA 0.496 56.859 56.400 -0.062 0.000 0.801 361 E CB 0.000 29.707 29.700 0.012 0.000 0.750 361 E HN 0.770 nan 8.360 nan 0.000 0.452 362 E N 1.320 121.460 120.200 -0.101 0.000 2.493 362 E HA -0.051 4.301 4.350 0.003 0.000 0.255 362 E C 0.513 177.117 176.600 0.007 0.000 0.999 362 E CA 0.305 56.681 56.400 -0.039 0.000 0.934 362 E CB 0.594 30.242 29.700 -0.086 0.000 0.940 362 E HN -0.102 nan 8.360 nan 0.000 0.473 363 T N 4.546 119.141 114.554 0.068 0.000 2.746 363 T HA -0.135 4.217 4.350 0.003 0.000 0.267 363 T C 0.932 175.709 174.700 0.129 0.000 1.039 363 T CA 1.247 63.430 62.100 0.139 0.000 1.142 363 T CB -0.082 68.857 68.868 0.117 0.000 0.866 363 T HN 0.466 nan 8.240 nan 0.000 0.444 364 E N 0.605 120.853 120.200 0.079 0.000 2.401 364 E HA -0.028 4.324 4.350 0.003 0.000 0.199 364 E C 1.775 178.403 176.600 0.047 0.000 1.023 364 E CA 0.607 57.042 56.400 0.059 0.000 0.859 364 E CB -0.221 29.514 29.700 0.059 0.000 0.780 364 E HN 0.463 nan 8.360 nan 0.000 0.523 365 I N -0.807 119.790 120.570 0.045 0.000 2.927 365 I HA -0.068 4.104 4.170 0.003 0.000 0.268 365 I C 1.864 178.034 176.117 0.089 0.000 1.153 365 I CA 0.245 61.562 61.300 0.029 0.000 1.459 365 I CB -0.204 37.763 38.000 -0.056 0.000 1.149 365 I HN -0.016 nan 8.210 nan 0.000 0.443 366 F N 1.367 121.308 119.950 -0.015 0.000 2.604 366 F HA -0.057 4.472 4.527 0.003 0.000 0.298 366 F C 2.057 177.887 175.800 0.051 0.000 1.131 366 F CA 1.142 59.161 58.000 0.032 0.000 1.457 366 F CB -0.041 38.977 39.000 0.030 0.000 1.095 366 F HN -0.113 nan 8.300 nan 0.000 0.574 367 K N 0.163 120.509 120.400 -0.091 0.000 2.314 367 K HA 0.062 4.384 4.320 0.003 0.000 0.198 367 K C 1.869 178.387 176.600 -0.137 0.000 1.045 367 K CA 0.783 56.972 56.287 -0.164 0.000 0.988 367 K CB 0.148 32.618 32.500 -0.051 0.000 0.783 367 K HN 0.357 nan 8.250 nan 0.000 0.484 368 I N 0.529 121.048 120.570 -0.086 0.000 2.233 368 I HA -0.295 3.877 4.170 0.003 0.000 0.243 368 I C 2.271 178.322 176.117 -0.111 0.000 1.093 368 I CA 0.847 62.100 61.300 -0.077 0.000 1.380 368 I CB -0.355 37.618 38.000 -0.045 0.000 1.067 368 I HN 0.182 nan 8.210 nan 0.000 0.413 369 C N 0.469 119.702 119.300 -0.111 0.000 2.462 369 C HA -0.135 4.327 4.460 0.003 0.000 0.278 369 C C 2.747 177.608 174.990 -0.216 0.000 1.253 369 C CA 0.280 59.210 59.018 -0.147 0.000 1.713 369 C CB -0.972 26.809 27.740 0.069 0.000 2.049 369 C HN 0.503 nan 8.230 nan 0.000 0.477 370 L N 1.908 122.996 121.223 -0.224 0.000 2.081 370 L HA -0.175 4.167 4.340 0.003 0.000 0.212 370 L C 2.476 179.292 176.870 -0.090 0.000 1.080 370 L CA 2.234 56.976 54.840 -0.163 0.000 0.754 370 L CB -1.133 40.635 42.059 -0.486 0.000 0.893 370 L HN 0.487 nan 8.230 nan 0.000 0.433 371 E N -1.830 118.299 120.200 -0.119 0.000 2.130 371 E HA -0.331 4.021 4.350 0.003 0.000 0.196 371 E C 2.156 178.744 176.600 -0.019 0.000 0.998 371 E CA 1.755 58.114 56.400 -0.068 0.000 0.806 371 E CB -0.388 29.269 29.700 -0.072 0.000 0.738 371 E HN 0.687 nan 8.360 nan 0.000 0.459 372 Y N -0.754 119.416 120.300 -0.217 0.000 2.243 372 Y HA -0.080 4.472 4.550 0.003 0.000 0.293 372 Y C 1.532 177.352 175.900 -0.133 0.000 1.124 372 Y CA 1.392 59.349 58.100 -0.237 0.000 1.159 372 Y CB -0.589 37.596 38.460 -0.459 0.000 1.008 372 Y HN 0.109 nan 8.280 nan 0.000 0.527 373 W N 0.984 122.218 121.300 -0.110 0.000 2.363 373 W HA -0.213 4.449 4.660 0.003 0.000 0.296 373 W C 2.560 178.975 176.519 -0.173 0.000 1.212 373 W CA 0.925 58.154 57.345 -0.194 0.000 1.260 373 W CB -0.449 28.971 29.460 -0.066 0.000 1.131 373 W HN 0.120 nan 8.180 nan 0.000 0.530 374 N N 0.122 118.877 118.700 0.091 0.000 2.244 374 N HA -0.239 4.503 4.740 0.003 0.000 0.183 374 N C 1.645 177.191 175.510 0.061 0.000 1.016 374 N CA 1.709 54.782 53.050 0.040 0.000 0.866 374 N CB -0.318 38.158 38.487 -0.018 0.000 0.980 374 N HN 0.259 nan 8.380 nan 0.000 0.430 375 H N 0.601 119.612 119.070 -0.099 0.000 2.326 375 H HA -0.041 4.517 4.556 0.003 0.000 0.301 375 H C 2.077 177.297 175.328 -0.179 0.000 1.081 375 H CA 1.492 57.466 56.048 -0.123 0.000 1.334 375 H CB -0.498 29.181 29.762 -0.138 0.000 1.385 375 H HN 0.155 nan 8.280 nan 0.000 0.504 376 L N 0.574 121.508 121.223 -0.481 0.000 1.994 376 L HA -0.002 4.340 4.340 0.003 0.000 0.208 376 L C 2.503 179.197 176.870 -0.293 0.000 1.071 376 L CA 2.069 56.590 54.840 -0.532 0.000 0.745 376 L CB -1.369 40.376 42.059 -0.523 0.000 0.892 376 L HN 0.402 nan 8.230 nan 0.000 0.431 377 A N -0.855 121.911 122.820 -0.090 0.000 2.024 377 A HA -0.088 4.234 4.320 0.003 0.000 0.220 377 A C 2.364 179.934 177.584 -0.024 0.000 1.164 377 A CA 1.734 53.795 52.037 0.040 0.000 0.643 377 A CB -0.961 18.159 19.000 0.200 0.000 0.806 377 A HN 0.587 nan 8.150 nan 0.000 0.451 378 A N -0.467 122.327 122.820 -0.043 0.000 1.855 378 A HA -0.046 4.276 4.320 0.003 0.000 0.213 378 A C 1.941 179.382 177.584 -0.238 0.000 1.195 378 A CA 1.354 53.263 52.037 -0.213 0.000 0.610 378 A CB -0.413 18.611 19.000 0.040 0.000 0.837 378 A HN 0.381 nan 8.150 nan 0.000 0.444 379 E N -0.093 119.942 120.200 -0.276 0.000 2.085 379 E HA -0.161 4.191 4.350 0.003 0.000 0.194 379 E C 1.744 178.239 176.600 -0.174 0.000 0.994 379 E CA 0.889 57.142 56.400 -0.245 0.000 0.801 379 E CB -0.378 29.107 29.700 -0.359 0.000 0.743 379 E HN 0.390 nan 8.360 nan 0.000 0.453 380 L N -0.277 120.838 121.223 -0.180 0.000 2.376 380 L HA -0.093 4.249 4.340 0.003 0.000 0.219 380 L C 1.972 178.795 176.870 -0.079 0.000 1.133 380 L CA 1.001 55.776 54.840 -0.107 0.000 0.816 380 L CB -0.887 41.115 42.059 -0.094 0.000 0.933 380 L HN 0.172 nan 8.230 nan 0.000 0.449 381 Y N -0.208 119.930 120.300 -0.270 0.000 2.347 381 Y HA -0.074 4.478 4.550 0.003 0.000 0.294 381 Y C 2.786 178.540 175.900 -0.244 0.000 1.117 381 Y CA 1.022 58.931 58.100 -0.318 0.000 1.184 381 Y CB 0.094 38.153 38.460 -0.668 0.000 1.047 381 Y HN 0.036 nan 8.280 nan 0.000 0.546 382 R N 0.749 121.189 120.500 -0.100 0.000 2.120 382 R HA -0.189 4.153 4.340 0.003 0.000 0.234 382 R C 2.251 178.484 176.300 -0.113 0.000 1.123 382 R CA 1.700 57.744 56.100 -0.094 0.000 0.975 382 R CB -0.236 30.028 30.300 -0.060 0.000 0.866 382 R HN 0.543 nan 8.270 nan 0.000 0.446 383 E N -0.245 119.894 120.200 -0.102 0.000 2.001 383 E HA -0.135 4.217 4.350 0.003 0.000 0.195 383 E C -0.414 176.150 176.600 -0.060 0.000 1.002 383 E CA 1.274 57.635 56.400 -0.065 0.000 0.819 383 E CB 0.024 29.699 29.700 -0.043 0.000 0.769 383 E HN 0.119 nan 8.360 nan 0.000 0.454 384 S N 0.174 115.823 115.700 -0.085 0.000 2.737 384 S HA 0.280 4.752 4.470 0.003 0.000 0.269 384 S C -2.663 171.849 174.600 -0.147 0.000 1.150 384 S CA -1.340 56.865 58.200 0.007 0.000 1.077 384 S CB 1.813 65.070 63.200 0.096 0.000 1.075 384 S HN 0.067 nan 8.310 nan 0.000 0.476 385 P HA 0.294 nan 4.420 nan 0.000 0.235 385 P C -0.877 176.035 177.300 -0.646 0.000 1.725 385 P CA -0.094 62.427 63.100 -0.965 0.000 0.894 385 P CB -0.847 30.052 31.700 -1.336 0.000 1.704 386 F N -0.895 118.995 119.950 -0.100 0.000 2.546 386 F HA 0.425 4.954 4.527 0.003 0.000 0.320 386 F C 1.216 177.038 175.800 0.037 0.000 1.076 386 F CA -0.996 57.008 58.000 0.006 0.000 0.928 386 F CB 1.569 40.565 39.000 -0.006 0.000 1.189 386 F HN -0.234 nan 8.300 nan 0.000 0.465 387 S N 0.060 115.908 115.700 0.247 0.000 2.624 387 S HA 0.255 4.727 4.470 0.003 0.000 0.263 387 S C 0.057 174.732 174.600 0.124 0.000 1.287 387 S CA -0.589 57.708 58.200 0.162 0.000 0.990 387 S CB 0.449 63.762 63.200 0.188 0.000 0.950 387 S HN 0.745 nan 8.310 nan 0.000 0.561 388 T N 1.832 116.416 114.554 0.051 0.000 2.759 388 T HA 0.358 4.710 4.350 0.003 0.000 0.273 388 T C 0.313 175.031 174.700 0.029 0.000 0.938 388 T CA -0.363 61.751 62.100 0.024 0.000 1.197 388 T CB -0.790 68.066 68.868 -0.020 0.000 0.887 388 T HN 0.616 nan 8.240 nan 0.000 0.540 402 I N 0.348 120.912 120.570 -0.010 0.000 2.498 402 I HA 0.449 4.621 4.170 0.003 0.000 0.290 402 I C -2.231 173.887 176.117 0.002 0.000 1.032 402 I CA -1.895 59.404 61.300 -0.000 0.000 1.073 402 I CB 2.100 40.100 38.000 0.001 0.000 1.251 402 I HN 0.277 nan 8.210 nan 0.000 0.426 403 P HA 0.237 nan 4.420 nan 0.000 0.275 403 P C -2.408 174.907 177.300 0.025 0.000 1.227 403 P CA -1.152 61.961 63.100 0.022 0.000 0.781 403 P CB 0.729 32.453 31.700 0.039 0.000 0.906 404 P HA 0.022 nan 4.420 nan 0.000 0.211 404 P C 1.314 178.642 177.300 0.046 0.000 1.191 404 P CA 1.222 64.337 63.100 0.025 0.000 0.909 404 P CB 0.319 32.029 31.700 0.017 0.000 0.770 405 R N -0.554 119.987 120.500 0.068 0.000 2.153 405 R HA 0.094 4.436 4.340 0.003 0.000 0.218 405 R C 2.671 179.094 176.300 0.205 0.000 1.072 405 R CA 0.529 56.704 56.100 0.126 0.000 0.990 405 R CB -0.286 30.091 30.300 0.128 0.000 0.889 405 R HN 0.127 nan 8.270 nan 0.000 0.452 406 R N 0.438 121.034 120.500 0.160 0.000 2.189 406 R HA -0.141 4.201 4.340 0.003 0.000 0.223 406 R C 1.976 178.368 176.300 0.154 0.000 1.092 406 R CA 0.998 57.218 56.100 0.200 0.000 0.989 406 R CB 0.010 30.380 30.300 0.117 0.000 0.876 406 R HN 0.116 nan 8.270 nan 0.000 0.457 407 Q N 0.390 120.233 119.800 0.072 0.000 2.029 407 Q HA -0.189 4.153 4.340 0.003 0.000 0.209 407 Q C 1.780 177.755 176.000 -0.041 0.000 0.999 407 Q CA 1.607 57.420 55.803 0.016 0.000 0.857 407 Q CB -0.184 28.553 28.738 -0.002 0.000 0.926 407 Q HN 0.183 nan 8.270 nan 0.000 0.415 408 L N -0.812 120.314 121.223 -0.162 0.000 2.261 408 L HA -0.180 4.162 4.340 0.003 0.000 0.216 408 L C 1.396 177.998 176.870 -0.447 0.000 1.114 408 L CA 1.779 56.378 54.840 -0.402 0.000 0.777 408 L CB -1.183 40.443 42.059 -0.722 0.000 0.910 408 L HN 0.392 nan 8.230 nan 0.000 0.440 409 Y N -2.349 117.995 120.300 0.073 0.000 2.444 409 Y HA 0.194 4.746 4.550 0.003 0.000 0.252 409 Y C 2.240 178.174 175.900 0.057 0.000 1.091 409 Y CA -0.525 57.627 58.100 0.086 0.000 1.276 409 Y CB -0.216 38.300 38.460 0.093 0.000 1.170 409 Y HN -0.124 nan 8.280 nan 0.000 0.517 410 L N -0.060 121.255 121.223 0.154 0.000 2.051 410 L HA -0.346 3.996 4.340 0.003 0.000 0.214 410 L C 2.670 179.582 176.870 0.069 0.000 1.076 410 L CA 2.288 57.184 54.840 0.094 0.000 0.758 410 L CB -0.654 41.440 42.059 0.058 0.000 0.890 410 L HN 0.345 nan 8.230 nan 0.000 0.433 411 T N -1.173 113.420 114.554 0.064 0.000 2.708 411 T HA -0.152 4.200 4.350 0.003 0.000 0.266 411 T C 1.767 176.500 174.700 0.056 0.000 1.037 411 T CA 1.778 63.910 62.100 0.053 0.000 1.146 411 T CB -0.120 68.781 68.868 0.056 0.000 0.865 411 T HN 0.124 nan 8.240 nan 0.000 0.435 412 V N 1.651 121.622 119.914 0.096 0.000 2.427 412 V HA -0.019 4.103 4.120 0.003 0.000 0.248 412 V C 2.757 178.841 176.094 -0.017 0.000 1.051 412 V CA 1.464 63.810 62.300 0.077 0.000 1.048 412 V CB -0.708 31.246 31.823 0.219 0.000 0.666 412 V HN 0.490 nan 8.190 nan 0.000 0.456 413 L N 0.071 121.315 121.223 0.036 0.000 2.079 413 L HA -0.206 4.136 4.340 0.003 0.000 0.210 413 L C 2.683 179.519 176.870 -0.056 0.000 1.081 413 L CA 1.915 56.745 54.840 -0.016 0.000 0.752 413 L CB -0.716 41.369 42.059 0.042 0.000 0.896 413 L HN 0.401 nan 8.230 nan 0.000 0.433 414 S N -0.110 115.572 115.700 -0.030 0.000 2.383 414 S HA -0.150 4.322 4.470 0.003 0.000 0.227 414 S C 1.962 176.523 174.600 -0.064 0.000 1.026 414 S CA 1.153 59.332 58.200 -0.035 0.000 0.981 414 S CB 0.030 63.222 63.200 -0.014 0.000 0.818 414 S HN 0.359 nan 8.310 nan 0.000 0.472 415 K N 0.374 120.724 120.400 -0.083 0.000 2.148 415 K HA 0.001 4.323 4.320 0.003 0.000 0.204 415 K C 1.972 178.454 176.600 -0.198 0.000 1.050 415 K CA 1.295 57.514 56.287 -0.114 0.000 0.942 415 K CB -0.206 32.227 32.500 -0.110 0.000 0.724 415 K HN 0.243 nan 8.250 nan 0.000 0.446 416 V N 1.066 120.800 119.914 -0.301 0.000 2.407 416 V HA -0.155 3.967 4.120 0.003 0.000 0.245 416 V C 2.160 178.115 176.094 -0.231 0.000 1.041 416 V CA 1.359 63.393 62.300 -0.445 0.000 1.040 416 V CB -0.402 31.017 31.823 -0.673 0.000 0.671 416 V HN 0.227 nan 8.190 nan 0.000 0.455 417 R N -0.379 120.035 120.500 -0.144 0.000 2.139 417 R HA -0.195 4.147 4.340 0.003 0.000 0.243 417 R C 2.279 178.552 176.300 -0.046 0.000 1.145 417 R CA 1.750 57.808 56.100 -0.070 0.000 0.976 417 R CB -0.390 29.886 30.300 -0.040 0.000 0.866 417 R HN 0.519 nan 8.270 nan 0.000 0.449 418 L N 0.330 121.518 121.223 -0.057 0.000 2.044 418 L HA -0.120 4.222 4.340 0.003 0.000 0.205 418 L C 2.136 178.989 176.870 -0.028 0.000 1.075 418 L CA 1.056 55.877 54.840 -0.031 0.000 0.747 418 L CB -0.326 41.713 42.059 -0.033 0.000 0.903 418 L HN 0.149 nan 8.230 nan 0.000 0.435 419 L N 0.061 121.248 121.223 -0.061 0.000 2.051 419 L HA -0.283 4.059 4.340 0.003 0.000 0.214 419 L C 2.391 179.280 176.870 0.032 0.000 1.076 419 L CA 2.065 56.889 54.840 -0.027 0.000 0.758 419 L CB -0.517 41.499 42.059 -0.072 0.000 0.890 419 L HN 0.318 nan 8.230 nan 0.000 0.433 420 M N -1.498 118.115 119.600 0.022 0.000 2.064 420 M HA -0.117 4.365 4.480 0.003 0.000 0.260 420 M C 2.290 178.635 176.300 0.075 0.000 1.073 420 M CA 1.651 56.991 55.300 0.067 0.000 1.124 420 M CB -1.322 31.293 32.600 0.024 0.000 1.326 420 M HN 0.157 nan 8.290 nan 0.000 0.410 421 V N 0.297 120.244 119.914 0.055 0.000 2.469 421 V HA -0.227 3.895 4.120 0.003 0.000 0.251 421 V C 2.479 178.615 176.094 0.070 0.000 1.064 421 V CA 1.793 64.138 62.300 0.075 0.000 1.066 421 V CB -0.996 30.865 31.823 0.064 0.000 0.667 421 V HN 0.442 nan 8.190 nan 0.000 0.461 422 S N -0.312 115.414 115.700 0.043 0.000 2.387 422 S HA 0.002 4.474 4.470 0.003 0.000 0.226 422 S C 1.240 175.858 174.600 0.029 0.000 1.026 422 S CA 0.919 59.133 58.200 0.024 0.000 0.972 422 S CB -0.104 63.097 63.200 0.002 0.000 0.814 422 S HN 0.623 nan 8.310 nan 0.000 0.477 423 R N 0.185 120.709 120.500 0.040 0.000 2.886 423 R HA 0.383 4.725 4.340 0.003 0.000 0.306 423 R C -1.008 175.367 176.300 0.125 0.000 1.300 423 R CA -0.226 55.889 56.100 0.025 0.000 1.441 423 R CB 0.349 30.558 30.300 -0.151 0.000 1.328 423 R HN 0.174 nan 8.270 nan 0.000 0.629 424 M N 1.476 121.210 119.600 0.223 0.000 2.241 424 M HA 0.389 4.871 4.480 0.003 0.000 0.335 424 M C -0.232 176.281 176.300 0.354 0.000 1.122 424 M CA -0.390 55.092 55.300 0.303 0.000 1.164 424 M CB 1.138 33.974 32.600 0.394 0.000 1.459 424 M HN 0.400 nan 8.290 nan 0.000 0.461 425 A N 3.455 126.404 122.820 0.214 0.000 2.306 425 A HA 0.441 4.763 4.320 0.003 0.000 0.330 425 A C -0.498 176.812 177.584 -0.456 0.000 1.146 425 A CA -0.844 51.179 52.037 -0.024 0.000 0.827 425 A CB 0.500 19.532 19.000 0.053 0.000 1.178 425 A HN 0.765 nan 8.150 nan 0.000 0.490 426 K N 2.462 122.252 120.400 -1.017 0.000 2.453 426 K HA 0.064 4.386 4.320 0.003 0.000 0.280 426 K C -1.515 174.593 176.600 -0.821 0.000 1.045 426 K CA -1.036 54.380 56.287 -1.452 0.000 1.059 426 K CB 0.647 32.551 32.500 -0.994 0.000 0.901 426 K HN 0.462 nan 8.250 nan 0.000 0.475 427 P HA -0.106 nan 4.420 nan 0.000 0.215 427 P C -0.646 176.323 177.300 -0.551 0.000 1.157 427 P CA 1.159 63.593 63.100 -1.110 0.000 0.856 427 P CB 0.162 31.137 31.700 -1.208 0.000 0.786 428 E N 1.137 121.110 120.200 -0.379 0.000 1.996 428 E HA 0.155 4.507 4.350 0.003 0.000 0.280 428 E C -0.241 176.298 176.600 -0.100 0.000 1.092 428 E CA -0.329 56.002 56.400 -0.115 0.000 0.862 428 E CB 0.204 29.924 29.700 0.033 0.000 1.066 428 E HN 0.066 nan 8.360 nan 0.000 0.396 429 E N 3.225 123.382 120.200 -0.071 0.000 2.070 429 E HA 0.137 4.489 4.350 0.003 0.000 0.282 429 E C -1.375 175.159 176.600 -0.110 0.000 1.104 429 E CA -0.318 56.026 56.400 -0.093 0.000 0.876 429 E CB 0.816 30.470 29.700 -0.075 0.000 1.055 429 E HN 0.229 nan 8.360 nan 0.000 0.401 430 V N 5.971 125.757 119.914 -0.214 0.000 2.769 430 V HA 0.762 4.884 4.120 0.003 0.000 0.312 430 V C -1.630 174.286 176.094 -0.297 0.000 1.061 430 V CA -0.900 61.139 62.300 -0.435 0.000 0.931 430 V CB 1.674 33.128 31.823 -0.615 0.000 1.010 430 V HN 0.656 nan 8.190 nan 0.000 0.433 431 L N 5.739 126.778 121.223 -0.306 0.000 2.505 431 L HA 0.699 5.041 4.340 0.003 0.000 0.259 431 L C -1.286 175.486 176.870 -0.164 0.000 0.952 431 L CA -0.219 54.510 54.840 -0.184 0.000 0.840 431 L CB 2.369 44.354 42.059 -0.123 0.000 1.358 431 L HN 0.468 nan 8.230 nan 0.000 0.409 432 V N 4.976 124.822 119.914 -0.114 0.000 2.364 432 V HA 0.659 4.781 4.120 0.003 0.000 0.272 432 V C -0.375 175.688 176.094 -0.051 0.000 1.036 432 V CA -0.452 61.800 62.300 -0.080 0.000 0.880 432 V CB 1.353 33.138 31.823 -0.064 0.000 0.991 432 V HN 0.549 nan 8.190 nan 0.000 0.460 433 V N 4.819 124.711 119.914 -0.037 0.000 2.735 433 V HA 0.476 4.598 4.120 0.003 0.000 0.310 433 V C -0.174 175.915 176.094 -0.008 0.000 1.061 433 V CA -0.930 61.357 62.300 -0.022 0.000 0.913 433 V CB 2.231 34.042 31.823 -0.020 0.000 1.005 433 V HN 1.007 nan 8.190 nan 0.000 0.428 434 E N 3.343 123.540 120.200 -0.004 0.000 2.227 434 E HA 0.433 4.785 4.350 0.003 0.000 0.282 434 E C -0.400 176.204 176.600 0.007 0.000 1.015 434 E CA -0.784 55.619 56.400 0.004 0.000 0.823 434 E CB 1.179 30.881 29.700 0.004 0.000 1.081 434 E HN 0.711 nan 8.360 nan 0.000 0.396 435 N N 3.491 122.198 118.700 0.013 0.000 2.547 435 N HA 0.024 4.766 4.740 0.003 0.000 0.301 435 N C 0.132 175.651 175.510 0.016 0.000 1.328 435 N CA -0.381 52.678 53.050 0.014 0.000 0.932 435 N CB -0.134 38.364 38.487 0.019 0.000 1.104 435 N HN 0.454 nan 8.380 nan 0.000 0.548 436 D N -0.815 119.596 120.400 0.018 0.000 2.264 436 D HA -0.080 4.562 4.640 0.003 0.000 0.208 436 D C 0.780 177.093 176.300 0.022 0.000 0.966 436 D CA 1.200 55.212 54.000 0.020 0.000 0.864 436 D CB -0.087 40.727 40.800 0.023 0.000 0.933 436 D HN 0.506 nan 8.370 nan 0.000 0.499 437 Q N -0.838 118.977 119.800 0.024 0.000 2.280 437 Q HA 0.343 4.685 4.340 0.003 0.000 0.201 437 Q C 1.376 177.389 176.000 0.022 0.000 0.890 437 Q CA 0.429 56.247 55.803 0.025 0.000 0.947 437 Q CB 0.893 29.649 28.738 0.030 0.000 1.081 437 Q HN 0.232 nan 8.270 nan 0.000 0.502 438 G N 0.896 109.707 108.800 0.019 0.000 2.347 438 G HA2 -0.394 3.569 3.960 0.003 0.000 0.247 438 G HA3 -0.394 3.569 3.960 0.003 0.000 0.247 438 G C 0.113 175.023 174.900 0.017 0.000 1.037 438 G CA 0.346 45.455 45.100 0.016 0.000 0.622 438 G HN 0.538 nan 8.290 nan 0.000 0.521 439 E N 0.931 121.145 120.200 0.022 0.000 2.442 439 E HA 0.389 4.741 4.350 0.003 0.000 0.262 439 E C 0.399 177.013 176.600 0.023 0.000 1.004 439 E CA -0.150 56.265 56.400 0.026 0.000 0.928 439 E CB 1.136 30.858 29.700 0.036 0.000 0.937 439 E HN 0.971 nan 8.360 nan 0.000 0.446 440 V N 1.244 121.170 119.914 0.020 0.000 2.427 440 V HA 0.612 4.734 4.120 0.003 0.000 0.286 440 V C 0.353 176.459 176.094 0.020 0.000 1.034 440 V CA -0.818 61.490 62.300 0.014 0.000 0.893 440 V CB 0.700 32.526 31.823 0.004 0.000 0.982 440 V HN 0.680 nan 8.190 nan 0.000 0.452 441 V N 1.821 121.745 119.914 0.017 0.000 3.141 441 V HA 0.721 4.843 4.120 0.003 0.000 0.312 441 V C -0.417 175.678 176.094 0.001 0.000 1.157 441 V CA -1.324 60.992 62.300 0.027 0.000 1.041 441 V CB 2.238 34.090 31.823 0.049 0.000 1.071 441 V HN 0.905 nan 8.190 nan 0.000 0.441 442 R N 0.974 121.478 120.500 0.007 0.000 2.294 442 R HA 0.595 4.937 4.340 0.003 0.000 0.319 442 R C -0.746 175.520 176.300 -0.057 0.000 0.984 442 R CA -0.396 55.663 56.100 -0.068 0.000 0.861 442 R CB 1.687 31.934 30.300 -0.089 0.000 1.104 442 R HN 0.809 nan 8.270 nan 0.000 0.451 443 E N 2.504 122.621 120.200 -0.139 0.000 2.195 443 E HA 0.266 4.618 4.350 0.003 0.000 0.271 443 E C -1.022 175.448 176.600 -0.217 0.000 0.923 443 E CA -0.624 55.741 56.400 -0.058 0.000 0.790 443 E CB 1.633 31.321 29.700 -0.019 0.000 1.155 443 E HN 0.340 nan 8.360 nan 0.000 0.402 444 F N 3.025 122.971 119.950 -0.006 0.000 2.291 444 F HA 0.250 4.779 4.527 0.003 0.000 0.368 444 F C 0.554 176.339 175.800 -0.023 0.000 1.085 444 F CA -0.904 57.084 58.000 -0.019 0.000 1.165 444 F CB 0.481 39.472 39.000 -0.014 0.000 1.429 444 F HN 0.206 nan 8.300 nan 0.000 0.503 445 M N 2.546 122.181 119.600 0.059 0.000 2.234 445 M HA -0.085 4.397 4.480 0.003 0.000 0.326 445 M C 1.259 177.587 176.300 0.047 0.000 1.077 445 M CA 0.728 56.048 55.300 0.033 0.000 1.052 445 M CB 0.521 33.117 32.600 -0.007 0.000 1.607 445 M HN 0.671 nan 8.290 nan 0.000 0.445 446 K N 1.602 122.020 120.400 0.030 0.000 2.139 446 K HA 0.019 4.341 4.320 0.003 0.000 0.217 446 K C 0.328 176.934 176.600 0.010 0.000 1.025 446 K CA 0.542 56.843 56.287 0.023 0.000 0.947 446 K CB 0.356 32.866 32.500 0.016 0.000 0.897 446 K HN 0.626 nan 8.250 nan 0.000 0.457 447 D N 2.274 122.676 120.400 0.004 0.000 2.722 447 D HA 0.037 4.679 4.640 0.003 0.000 0.239 447 D C -0.219 176.080 176.300 -0.001 0.000 1.249 447 D CA 0.041 54.041 54.000 0.001 0.000 0.830 447 D CB 0.528 41.326 40.800 -0.003 0.000 1.025 447 D HN 0.448 nan 8.370 nan 0.000 0.486 448 T N -1.980 112.573 114.554 -0.002 0.000 2.680 448 T HA -0.074 4.278 4.350 0.003 0.000 0.314 448 T C 1.179 175.878 174.700 -0.001 0.000 1.045 448 T CA -0.263 61.835 62.100 -0.004 0.000 1.025 448 T CB 1.576 70.438 68.868 -0.010 0.000 1.000 448 T HN -0.185 nan 8.240 nan 0.000 0.535 449 D N -0.277 120.123 120.400 -0.000 0.000 2.183 449 D HA -0.047 4.595 4.640 0.003 0.000 0.203 449 D C 2.227 178.533 176.300 0.009 0.000 0.969 449 D CA 1.188 55.191 54.000 0.005 0.000 0.842 449 D CB -0.309 40.495 40.800 0.007 0.000 0.957 449 D HN 0.522 nan 8.370 nan 0.000 0.484 450 S N -0.257 115.444 115.700 0.001 0.000 2.368 450 S HA -0.039 4.433 4.470 0.003 0.000 0.224 450 S C 1.946 176.545 174.600 -0.003 0.000 1.029 450 S CA 0.338 58.536 58.200 -0.003 0.000 0.988 450 S CB -0.167 63.017 63.200 -0.027 0.000 0.838 450 S HN 0.379 nan 8.310 nan 0.000 0.462 451 I N 1.810 122.373 120.570 -0.012 0.000 3.444 451 I HA 0.010 4.182 4.170 0.003 0.000 0.287 451 I C 1.790 177.931 176.117 0.039 0.000 1.302 451 I CA 0.484 61.779 61.300 -0.008 0.000 1.368 451 I CB -0.107 37.877 38.000 -0.026 0.000 1.048 451 I HN 0.271 nan 8.210 nan 0.000 0.487 452 N N 0.306 119.025 118.700 0.033 0.000 2.415 452 N HA -0.097 4.645 4.740 0.003 0.000 0.174 452 N C 1.885 177.417 175.510 0.037 0.000 1.048 452 N CA 0.320 53.388 53.050 0.031 0.000 0.895 452 N CB 0.245 38.738 38.487 0.009 0.000 1.036 452 N HN 0.298 nan 8.380 nan 0.000 0.449 453 L N 1.246 122.498 121.223 0.048 0.000 2.017 453 L HA -0.131 4.211 4.340 0.003 0.000 0.208 453 L C 2.204 179.114 176.870 0.067 0.000 1.073 453 L CA 1.627 56.499 54.840 0.052 0.000 0.745 453 L CB -1.362 40.744 42.059 0.079 0.000 0.894 453 L HN 0.201 nan 8.230 nan 0.000 0.432 454 Y N 0.443 120.725 120.300 -0.029 0.000 2.193 454 Y HA -0.310 4.242 4.550 0.003 0.000 0.285 454 Y C 2.278 178.160 175.900 -0.031 0.000 1.166 454 Y CA 2.155 60.235 58.100 -0.034 0.000 1.181 454 Y CB -0.134 38.280 38.460 -0.076 0.000 0.976 454 Y HN 0.210 nan 8.280 nan 0.000 0.520 455 K N -0.226 120.204 120.400 0.050 0.000 2.288 455 K HA -0.083 4.239 4.320 0.003 0.000 0.201 455 K C 1.571 178.084 176.600 -0.145 0.000 1.048 455 K CA 1.341 57.600 56.287 -0.048 0.000 0.956 455 K CB -0.168 32.351 32.500 0.032 0.000 0.746 455 K HN 0.480 nan 8.250 nan 0.000 0.461 456 N N 0.222 118.852 118.700 -0.116 0.000 2.333 456 N HA 0.046 4.788 4.740 0.003 0.000 0.178 456 N C 1.690 177.105 175.510 -0.158 0.000 1.018 456 N CA 0.533 53.503 53.050 -0.133 0.000 0.882 456 N CB 0.188 38.619 38.487 -0.093 0.000 0.984 456 N HN 0.064 nan 8.380 nan 0.000 0.434 457 M N 0.118 119.628 119.600 -0.149 0.000 2.156 457 M HA -0.062 4.420 4.480 0.003 0.000 0.264 457 M C 2.268 178.436 176.300 -0.219 0.000 1.067 457 M CA 1.052 56.275 55.300 -0.129 0.000 1.131 457 M CB -0.182 32.388 32.600 -0.050 0.000 1.368 457 M HN 0.099 nan 8.290 nan 0.000 0.416 458 R N 0.903 121.182 120.500 -0.369 0.000 2.096 458 R HA -0.230 4.112 4.340 0.003 0.000 0.240 458 R C 2.028 178.141 176.300 -0.312 0.000 1.139 458 R CA 2.212 58.080 56.100 -0.386 0.000 0.952 458 R CB -0.285 29.689 30.300 -0.543 0.000 0.854 458 R HN 0.423 nan 8.270 nan 0.000 0.436 459 E N -0.760 119.231 120.200 -0.350 0.000 2.051 459 E HA -0.164 4.188 4.350 0.003 0.000 0.192 459 E C 1.598 177.818 176.600 -0.633 0.000 0.991 459 E CA 1.908 58.002 56.400 -0.511 0.000 0.799 459 E CB -0.018 29.392 29.700 -0.483 0.000 0.748 459 E HN 0.357 nan 8.360 nan 0.000 0.449 460 T N 1.397 115.720 114.554 -0.385 0.000 2.720 460 T HA -0.179 4.173 4.350 0.003 0.000 0.268 460 T C 1.732 176.348 174.700 -0.140 0.000 1.037 460 T CA 1.267 63.229 62.100 -0.230 0.000 1.144 460 T CB -0.248 68.567 68.868 -0.089 0.000 0.864 460 T HN 0.124 nan 8.240 nan 0.000 0.444 461 L N 0.916 122.057 121.223 -0.136 0.000 2.156 461 L HA 0.183 4.525 4.340 0.003 0.000 0.208 461 L C 2.324 179.169 176.870 -0.043 0.000 1.095 461 L CA 1.167 55.967 54.840 -0.067 0.000 0.770 461 L CB -0.620 41.404 42.059 -0.058 0.000 0.914 461 L HN 0.090 nan 8.230 nan 0.000 0.439 462 V N -1.216 118.630 119.914 -0.113 0.000 3.141 462 V HA -0.196 3.926 4.120 0.003 0.000 0.265 462 V C 2.012 178.145 176.094 0.065 0.000 1.126 462 V CA 0.965 63.239 62.300 -0.044 0.000 1.141 462 V CB -0.580 31.160 31.823 -0.138 0.000 0.743 462 V HN 0.481 nan 8.190 nan 0.000 0.492 463 Y N -0.232 119.987 120.300 -0.135 0.000 2.231 463 Y HA 0.170 4.722 4.550 0.003 0.000 0.294 463 Y C 2.044 177.966 175.900 0.037 0.000 1.120 463 Y CA 0.733 58.742 58.100 -0.151 0.000 1.141 463 Y CB -0.433 37.916 38.460 -0.185 0.000 1.022 463 Y HN 0.183 nan 8.280 nan 0.000 0.523 464 L N -0.761 120.572 121.223 0.184 0.000 2.650 464 L HA -0.029 4.313 4.340 0.003 0.000 0.235 464 L C 1.547 178.478 176.870 0.101 0.000 1.149 464 L CA 0.623 55.533 54.840 0.116 0.000 0.887 464 L CB -0.455 41.634 42.059 0.050 0.000 1.021 464 L HN 0.136 nan 8.230 nan 0.000 0.441 465 T N -2.757 111.881 114.554 0.140 0.000 3.046 465 T HA -0.019 4.333 4.350 0.003 0.000 0.242 465 T C 1.554 176.332 174.700 0.129 0.000 1.018 465 T CA 0.401 62.565 62.100 0.105 0.000 1.131 465 T CB 0.047 68.958 68.868 0.072 0.000 0.904 465 T HN 0.253 nan 8.240 nan 0.000 0.459 466 H N 0.735 119.870 119.070 0.108 0.000 2.561 466 H HA 0.222 4.780 4.556 0.003 0.000 0.278 466 H C 1.540 176.944 175.328 0.127 0.000 1.014 466 H CA 0.688 56.821 56.048 0.141 0.000 1.211 466 H CB -0.164 29.784 29.762 0.310 0.000 1.365 466 H HN 0.227 nan 8.280 nan 0.000 0.594 467 L N -0.775 120.577 121.223 0.214 0.000 2.616 467 L HA 0.152 4.494 4.340 0.003 0.000 0.229 467 L C -0.248 176.669 176.870 0.079 0.000 1.110 467 L CA 0.107 55.030 54.840 0.137 0.000 0.884 467 L CB 0.696 42.830 42.059 0.125 0.000 1.115 467 L HN 0.166 nan 8.230 nan 0.000 0.481 468 D N -1.629 118.805 120.400 0.056 0.000 2.550 468 D HA -0.042 4.600 4.640 0.003 0.000 0.135 468 D C 0.277 176.542 176.300 -0.057 0.000 1.072 468 D CA -0.402 53.579 54.000 -0.030 0.000 1.405 468 D CB -0.179 40.593 40.800 -0.047 0.000 1.961 468 D HN 0.143 nan 8.370 nan 0.000 0.712 469 Y N 1.914 122.173 120.300 -0.069 0.000 2.373 469 Y HA 0.058 4.610 4.550 0.004 0.000 0.293 469 Y C 1.449 177.299 175.900 -0.084 0.000 1.129 469 Y CA 0.981 59.010 58.100 -0.119 0.000 1.226 469 Y CB -0.705 37.640 38.460 -0.193 0.000 1.000 469 Y HN 0.150 nan 8.280 nan 0.000 0.549 470 V N 1.551 121.032 119.914 -0.722 0.000 2.220 470 V HA -0.340 3.782 4.120 0.003 0.000 0.246 470 V C 2.346 178.347 176.094 -0.155 0.000 1.049 470 V CA 2.470 64.499 62.300 -0.452 0.000 1.003 470 V CB -0.926 30.620 31.823 -0.461 0.000 0.634 470 V HN 0.470 nan 8.190 nan 0.000 0.444 471 D N -0.176 120.145 120.400 -0.131 0.000 2.149 471 D HA -0.189 4.453 4.640 0.003 0.000 0.194 471 D C 2.098 178.384 176.300 -0.023 0.000 1.001 471 D CA 2.222 56.187 54.000 -0.057 0.000 0.849 471 D CB -0.220 40.553 40.800 -0.046 0.000 0.939 471 D HN 0.490 nan 8.370 nan 0.000 0.449 472 T N -0.440 114.100 114.554 -0.023 0.000 2.812 472 T HA -0.118 4.234 4.350 0.003 0.000 0.264 472 T C 1.746 176.461 174.700 0.024 0.000 1.042 472 T CA 1.202 63.301 62.100 -0.001 0.000 1.140 472 T CB -0.306 68.556 68.868 -0.010 0.000 0.870 472 T HN 0.345 nan 8.240 nan 0.000 0.445 473 E N 0.286 120.498 120.200 0.019 0.000 2.204 473 E HA -0.123 4.229 4.350 0.003 0.000 0.195 473 E C 1.869 178.568 176.600 0.166 0.000 0.990 473 E CA 0.700 57.163 56.400 0.105 0.000 0.821 473 E CB -0.093 29.683 29.700 0.127 0.000 0.750 473 E HN 0.298 nan 8.360 nan 0.000 0.477 474 I N 1.044 121.664 120.570 0.084 0.000 2.202 474 I HA -0.243 3.929 4.170 0.003 0.000 0.242 474 I C 2.156 178.315 176.117 0.069 0.000 1.091 474 I CA 1.058 62.398 61.300 0.068 0.000 1.368 474 I CB -0.260 37.756 38.000 0.027 0.000 1.058 474 I HN 0.211 nan 8.210 nan 0.000 0.410 475 I N -0.970 119.635 120.570 0.057 0.000 2.286 475 I HA -0.329 3.843 4.170 0.003 0.000 0.248 475 I C 2.426 178.591 176.117 0.081 0.000 1.115 475 I CA 1.281 62.613 61.300 0.054 0.000 1.392 475 I CB -0.336 37.687 38.000 0.037 0.000 1.065 475 I HN 0.238 nan 8.210 nan 0.000 0.418 476 M N 0.389 120.065 119.600 0.128 0.000 2.077 476 M HA -0.161 4.321 4.480 0.003 0.000 0.261 476 M C 2.323 178.708 176.300 0.142 0.000 1.070 476 M CA 2.089 57.498 55.300 0.182 0.000 1.125 476 M CB -0.402 32.409 32.600 0.351 0.000 1.339 476 M HN 0.073 nan 8.290 nan 0.000 0.409 477 T N -0.493 114.151 114.554 0.149 0.000 2.821 477 T HA -0.141 4.211 4.350 0.003 0.000 0.267 477 T C 1.792 176.520 174.700 0.045 0.000 1.046 477 T CA 1.377 63.519 62.100 0.071 0.000 1.139 477 T CB -0.210 68.705 68.868 0.078 0.000 0.871 477 T HN 0.347 nan 8.240 nan 0.000 0.454 478 K N 0.868 121.300 120.400 0.053 0.000 2.148 478 K HA -0.053 4.269 4.320 0.003 0.000 0.204 478 K C 2.189 178.810 176.600 0.035 0.000 1.050 478 K CA 0.871 57.180 56.287 0.038 0.000 0.942 478 K CB 0.112 32.633 32.500 0.035 0.000 0.724 478 K HN 0.012 nan 8.250 nan 0.000 0.446 479 K N 0.545 120.970 120.400 0.043 0.000 2.148 479 K HA -0.122 4.200 4.320 0.003 0.000 0.204 479 K C 1.981 178.604 176.600 0.037 0.000 1.050 479 K CA 0.676 56.986 56.287 0.039 0.000 0.942 479 K CB -0.147 32.380 32.500 0.044 0.000 0.724 479 K HN 0.165 nan 8.250 nan 0.000 0.446 480 L N 1.586 122.828 121.223 0.031 0.000 2.095 480 L HA -0.081 4.261 4.340 0.003 0.000 0.204 480 L C 2.036 178.919 176.870 0.021 0.000 1.080 480 L CA 1.583 56.436 54.840 0.021 0.000 0.759 480 L CB -0.444 41.606 42.059 -0.014 0.000 0.914 480 L HN 0.037 nan 8.230 nan 0.000 0.439 481 Q N -0.168 119.640 119.800 0.014 0.000 2.226 481 Q HA -0.153 4.189 4.340 0.003 0.000 0.204 481 Q C 1.788 177.800 176.000 0.021 0.000 0.975 481 Q CA 1.302 57.111 55.803 0.010 0.000 0.866 481 Q CB -0.625 28.117 28.738 0.008 0.000 0.915 481 Q HN 0.652 nan 8.270 nan 0.000 0.440 482 N N 0.095 118.814 118.700 0.032 0.000 2.463 482 N HA -0.059 4.683 4.740 0.003 0.000 0.181 482 N C 1.330 176.882 175.510 0.071 0.000 1.078 482 N CA 0.239 53.314 53.050 0.042 0.000 0.902 482 N CB 0.318 38.827 38.487 0.037 0.000 0.970 482 N HN 0.200 nan 8.380 nan 0.000 0.451 483 Q N 0.542 120.392 119.800 0.084 0.000 2.451 483 Q HA 0.065 4.407 4.340 0.003 0.000 0.206 483 Q C 1.574 177.674 176.000 0.166 0.000 0.947 483 Q CA 0.274 56.171 55.803 0.157 0.000 0.937 483 Q CB 0.565 29.389 28.738 0.144 0.000 1.025 483 Q HN 0.206 nan 8.270 nan 0.000 0.511 484 V N -0.050 119.903 119.914 0.066 0.000 3.263 484 V HA 0.009 4.131 4.120 0.003 0.000 0.208 484 V C 1.734 177.812 176.094 -0.027 0.000 1.184 484 V CA 0.864 63.161 62.300 -0.005 0.000 1.341 484 V CB -0.611 31.199 31.823 -0.021 0.000 1.238 484 V HN 0.181 nan 8.190 nan 0.000 0.504 485 N N 1.466 120.153 118.700 -0.021 0.000 2.171 485 N HA -0.055 4.687 4.740 0.003 0.000 0.184 485 N C 1.679 177.187 175.510 -0.003 0.000 1.021 485 N CA 1.503 54.539 53.050 -0.024 0.000 0.854 485 N CB -0.578 37.896 38.487 -0.022 0.000 0.994 485 N HN 0.463 nan 8.380 nan 0.000 0.426 486 G N -0.864 107.945 108.800 0.014 0.000 2.615 486 G HA2 -0.179 3.783 3.960 0.003 0.000 0.213 486 G HA3 -0.179 3.783 3.960 0.003 0.000 0.213 486 G C 0.530 175.454 174.900 0.041 0.000 1.135 486 G CA 1.120 46.235 45.100 0.024 0.000 0.772 486 G HN 0.457 nan 8.290 nan 0.000 0.542 487 T N -0.598 113.987 114.554 0.053 0.000 3.622 487 T HA -0.274 4.078 4.350 0.003 0.000 0.380 487 T C 0.997 175.764 174.700 0.112 0.000 0.764 487 T CA 1.397 63.551 62.100 0.091 0.000 1.908 487 T CB -1.334 67.565 68.868 0.052 0.000 1.771 487 T HN 0.694 nan 8.240 nan 0.000 0.706 488 E N 0.079 120.349 120.200 0.115 0.000 2.359 488 E HA 0.111 4.463 4.350 0.003 0.000 0.187 488 E C 0.559 177.226 176.600 0.112 0.000 1.081 488 E CA -0.699 55.752 56.400 0.085 0.000 0.929 488 E CB 0.144 29.878 29.700 0.057 0.000 1.086 488 E HN 0.703 nan 8.360 nan 0.000 0.462 489 W N 1.013 122.292 121.300 -0.034 0.000 2.218 489 W HA 0.331 4.993 4.660 0.003 0.000 0.326 489 W C -0.707 175.778 176.519 -0.056 0.000 1.276 489 W CA 0.190 57.510 57.345 -0.041 0.000 1.210 489 W CB 1.260 30.690 29.460 -0.050 0.000 1.143 489 W HN -0.015 nan 8.180 nan 0.000 0.563 490 S N 5.061 120.149 115.700 -1.020 0.000 2.606 490 S HA 0.102 4.574 4.470 0.003 0.000 0.290 490 S C 0.046 174.143 174.600 -0.837 0.000 1.103 490 S CA -0.683 56.984 58.200 -0.888 0.000 0.870 490 S CB -0.201 62.775 63.200 -0.372 0.000 1.077 490 S HN 0.563 nan 8.310 nan 0.000 0.448 491 W N 3.729 124.587 121.300 -0.737 0.000 2.321 491 W HA -0.036 4.626 4.660 0.003 0.000 0.306 491 W C 2.307 178.583 176.519 -0.404 0.000 1.217 491 W CA 1.607 58.634 57.345 -0.530 0.000 1.257 491 W CB -0.512 28.779 29.460 -0.280 0.000 1.145 491 W HN 0.856 nan 8.180 nan 0.000 0.509 492 K N 0.090 120.440 120.400 -0.083 0.000 2.097 492 K HA -0.184 4.138 4.320 0.003 0.000 0.205 492 K C 1.622 178.079 176.600 -0.239 0.000 1.050 492 K CA 1.689 57.901 56.287 -0.125 0.000 0.938 492 K CB -0.152 32.319 32.500 -0.048 0.000 0.718 492 K HN -0.004 nan 8.250 nan 0.000 0.442 493 N N 1.233 119.785 118.700 -0.247 0.000 2.080 493 N HA -0.166 4.576 4.740 0.003 0.000 0.189 493 N C 1.604 176.953 175.510 -0.268 0.000 1.036 493 N CA 0.928 53.841 53.050 -0.229 0.000 0.846 493 N CB -0.492 37.880 38.487 -0.191 0.000 1.015 493 N HN 0.094 nan 8.380 nan 0.000 0.423 494 L N 1.268 122.311 121.223 -0.301 0.000 2.081 494 L HA -0.135 4.207 4.340 0.003 0.000 0.212 494 L C 1.304 177.974 176.870 -0.333 0.000 1.080 494 L CA 1.715 56.422 54.840 -0.221 0.000 0.754 494 L CB -0.905 41.053 42.059 -0.168 0.000 0.893 494 L HN 0.091 nan 8.230 nan 0.000 0.433 495 N N -0.850 117.541 118.700 -0.515 0.000 2.028 495 N HA -0.148 4.594 4.740 0.003 0.000 0.194 495 N C 1.752 176.313 175.510 -1.582 0.000 1.050 495 N CA 2.121 54.575 53.050 -0.994 0.000 0.848 495 N CB -0.984 36.918 38.487 -0.975 0.000 1.038 495 N HN 0.337 nan 8.380 nan 0.000 0.423 496 T N 1.566 115.383 114.554 -1.227 0.000 2.721 496 T HA -0.171 4.181 4.350 0.003 0.000 0.268 496 T C 1.865 176.431 174.700 -0.223 0.000 1.038 496 T CA 1.043 62.777 62.100 -0.610 0.000 1.145 496 T CB -0.420 68.354 68.868 -0.156 0.000 0.858 496 T HN 0.116 nan 8.240 nan 0.000 0.459 497 L N 0.774 121.863 121.223 -0.224 0.000 2.027 497 L HA 0.020 4.362 4.340 0.003 0.000 0.206 497 L C 2.343 179.226 176.870 0.022 0.000 1.074 497 L CA 1.578 56.390 54.840 -0.047 0.000 0.745 497 L CB -0.927 41.108 42.059 -0.039 0.000 0.898 497 L HN 0.290 nan 8.230 nan 0.000 0.433 498 C N -0.742 118.513 119.300 -0.075 0.000 2.466 498 C HA -0.098 4.364 4.460 0.003 0.000 0.283 498 C C 2.203 177.415 174.990 0.369 0.000 1.472 498 C CA -0.197 58.884 59.018 0.105 0.000 1.765 498 C CB -1.684 26.093 27.740 0.062 0.000 1.724 498 C HN 0.727 nan 8.230 nan 0.000 0.560 499 W N 0.672 122.120 121.300 0.247 0.000 2.523 499 W HA 0.162 4.824 4.660 0.003 0.000 0.278 499 W C 2.484 179.204 176.519 0.336 0.000 1.236 499 W CA 0.736 58.276 57.345 0.324 0.000 1.306 499 W CB -1.396 28.189 29.460 0.208 0.000 1.101 499 W HN 0.321 nan 8.180 nan 0.000 0.577 500 A N 0.291 123.368 122.820 0.428 0.000 1.929 500 A HA -0.068 4.254 4.320 0.003 0.000 0.216 500 A C 2.000 179.756 177.584 0.287 0.000 1.176 500 A CA 1.254 53.465 52.037 0.290 0.000 0.628 500 A CB -0.755 18.367 19.000 0.204 0.000 0.816 500 A HN 0.149 nan 8.150 nan 0.000 0.444 501 I N -0.282 120.481 120.570 0.322 0.000 2.202 501 I HA -0.139 4.033 4.170 0.003 0.000 0.242 501 I C 2.459 178.850 176.117 0.456 0.000 1.091 501 I CA 1.183 62.709 61.300 0.376 0.000 1.368 501 I CB -0.604 37.580 38.000 0.305 0.000 1.058 501 I HN 0.382 nan 8.210 nan 0.000 0.410 502 G N -0.456 108.609 108.800 0.442 0.000 2.882 502 G HA2 -0.133 3.829 3.960 0.003 0.000 0.206 502 G HA3 -0.133 3.829 3.960 0.003 0.000 0.206 502 G C 1.544 176.611 174.900 0.278 0.000 1.155 502 G CA 0.818 46.129 45.100 0.352 0.000 0.800 502 G HN 0.368 nan 8.290 nan 0.000 0.524 503 S N 0.855 116.730 115.700 0.292 0.000 2.384 503 S HA -0.015 4.457 4.470 0.003 0.000 0.217 503 S C 1.940 176.562 174.600 0.037 0.000 1.041 503 S CA 0.601 58.901 58.200 0.168 0.000 0.948 503 S CB -0.175 63.086 63.200 0.102 0.000 0.872 503 S HN 0.448 nan 8.310 nan 0.000 0.512 504 I N 1.955 122.562 120.570 0.061 0.000 3.607 504 I HA 0.340 4.512 4.170 0.003 0.000 0.303 504 I C 0.492 176.586 176.117 -0.039 0.000 1.261 504 I CA -0.222 61.084 61.300 0.009 0.000 1.215 504 I CB -0.777 37.231 38.000 0.013 0.000 1.043 504 I HN 0.076 nan 8.210 nan 0.000 0.465 505 S N 1.966 117.548 115.700 -0.197 0.000 2.552 505 S HA 0.365 4.837 4.470 0.003 0.000 0.289 505 S C 1.564 176.014 174.600 -0.249 0.000 1.304 505 S CA 0.505 58.373 58.200 -0.553 0.000 1.063 505 S CB -0.159 62.588 63.200 -0.755 0.000 0.848 505 S HN 1.236 nan 8.310 nan 0.000 0.499 506 G N 3.146 111.842 108.800 -0.173 0.000 2.233 506 G HA2 -0.262 3.700 3.960 0.003 0.000 0.270 506 G HA3 -0.262 3.700 3.960 0.003 0.000 0.270 506 G C 0.771 175.677 174.900 0.009 0.000 1.011 506 G CA 0.484 45.558 45.100 -0.043 0.000 0.762 506 G HN 1.382 nan 8.290 nan 0.000 0.511 507 A N -0.981 121.835 122.820 -0.007 0.000 2.132 507 A HA 0.636 4.958 4.320 0.003 0.000 0.213 507 A C 1.406 178.829 177.584 -0.268 0.000 1.154 507 A CA 1.531 53.597 52.037 0.048 0.000 0.753 507 A CB -0.112 18.920 19.000 0.053 0.000 0.826 507 A HN 1.112 nan 8.150 nan 0.000 0.469 508 M N -2.051 117.396 119.600 -0.256 0.000 2.796 508 M HA 0.545 5.027 4.480 0.003 0.000 0.303 508 M C -0.751 175.351 176.300 -0.330 0.000 1.240 508 M CA -1.048 53.972 55.300 -0.468 0.000 0.831 508 M CB 0.547 32.865 32.600 -0.470 0.000 1.750 508 M HN 0.093 nan 8.290 nan 0.000 0.484 509 H N 0.959 119.913 119.070 -0.193 0.000 2.790 509 H HA 0.029 4.587 4.556 0.003 0.000 0.358 509 H C 0.318 175.614 175.328 -0.053 0.000 1.103 509 H CA 0.239 56.222 56.048 -0.109 0.000 1.426 509 H CB 0.579 30.269 29.762 -0.119 0.000 1.424 509 H HN 0.901 nan 8.280 nan 0.000 0.599 510 E N 1.174 121.449 120.200 0.125 0.000 2.331 510 E HA -0.178 4.174 4.350 0.003 0.000 0.199 510 E C 0.786 177.459 176.600 0.121 0.000 1.008 510 E CA 0.893 57.364 56.400 0.119 0.000 0.843 510 E CB 0.389 30.146 29.700 0.095 0.000 0.761 510 E HN 0.499 nan 8.360 nan 0.000 0.507 511 E N 0.727 120.984 120.200 0.095 0.000 2.042 511 E HA -0.111 4.241 4.350 0.003 0.000 0.189 511 E C 1.664 178.295 176.600 0.052 0.000 0.974 511 E CA 0.745 57.190 56.400 0.075 0.000 0.806 511 E CB -0.285 29.446 29.700 0.051 0.000 0.769 511 E HN 0.312 nan 8.360 nan 0.000 0.451 512 D N 1.004 121.392 120.400 -0.020 0.000 2.309 512 D HA -0.152 4.490 4.640 0.003 0.000 0.212 512 D C 1.753 178.027 176.300 -0.043 0.000 0.968 512 D CA 0.749 54.670 54.000 -0.131 0.000 0.882 512 D CB -0.026 40.459 40.800 -0.525 0.000 0.918 512 D HN 0.380 nan 8.370 nan 0.000 0.503 513 E N 0.798 121.015 120.200 0.028 0.000 2.170 513 E HA -0.113 4.239 4.350 0.003 0.000 0.191 513 E C 1.927 178.640 176.600 0.189 0.000 0.981 513 E CA 0.393 56.870 56.400 0.129 0.000 0.830 513 E CB 0.217 30.032 29.700 0.191 0.000 0.775 513 E HN 0.050 nan 8.360 nan 0.000 0.470 514 K N 0.938 121.471 120.400 0.220 0.000 2.026 514 K HA -0.205 4.117 4.320 0.003 0.000 0.208 514 K C 2.405 179.094 176.600 0.147 0.000 1.048 514 K CA 1.866 58.333 56.287 0.300 0.000 0.929 514 K CB -0.085 32.559 32.500 0.241 0.000 0.713 514 K HN 0.093 nan 8.250 nan 0.000 0.439 515 R N -0.729 119.830 120.500 0.099 0.000 2.115 515 R HA -0.087 4.255 4.340 0.003 0.000 0.226 515 R C 2.195 178.516 176.300 0.034 0.000 1.100 515 R CA 1.216 57.346 56.100 0.051 0.000 0.980 515 R CB -0.828 29.510 30.300 0.064 0.000 0.875 515 R HN 0.147 nan 8.270 nan 0.000 0.445 516 F N 1.882 121.789 119.950 -0.072 0.000 2.171 516 F HA -0.009 4.519 4.527 0.003 0.000 0.300 516 F C 1.779 177.461 175.800 -0.198 0.000 1.090 516 F CA 1.238 59.178 58.000 -0.100 0.000 1.293 516 F CB 0.029 38.982 39.000 -0.077 0.000 1.013 516 F HN -0.070 nan 8.300 nan 0.000 0.486 517 L N -0.788 120.264 121.223 -0.285 0.000 1.993 517 L HA -0.171 4.171 4.340 0.003 0.000 0.206 517 L C 2.361 178.936 176.870 -0.491 0.000 1.074 517 L CA 1.191 55.689 54.840 -0.570 0.000 0.746 517 L CB -1.075 40.424 42.059 -0.933 0.000 0.896 517 L HN -0.092 nan 8.230 nan 0.000 0.435 518 V N -0.435 119.253 119.914 -0.377 0.000 2.688 518 V HA -0.267 3.855 4.120 0.003 0.000 0.256 518 V C 2.483 178.443 176.094 -0.224 0.000 1.084 518 V CA 2.048 64.181 62.300 -0.278 0.000 1.103 518 V CB -0.999 30.717 31.823 -0.178 0.000 0.688 518 V HN 0.500 nan 8.190 nan 0.000 0.480 519 T N -0.184 114.227 114.554 -0.238 0.000 2.770 519 T HA -0.098 4.254 4.350 0.003 0.000 0.263 519 T C 1.947 176.494 174.700 -0.255 0.000 1.039 519 T CA 1.554 63.526 62.100 -0.213 0.000 1.142 519 T CB -0.038 68.709 68.868 -0.201 0.000 0.868 519 T HN 0.311 nan 8.240 nan 0.000 0.435 520 V N 2.648 122.332 119.914 -0.384 0.000 2.323 520 V HA -0.046 4.076 4.120 0.003 0.000 0.244 520 V C 2.402 178.364 176.094 -0.220 0.000 1.041 520 V CA 1.501 63.593 62.300 -0.348 0.000 1.025 520 V CB -0.683 30.838 31.823 -0.505 0.000 0.656 520 V HN 0.622 nan 8.190 nan 0.000 0.451 521 I N -1.094 119.336 120.570 -0.233 0.000 3.083 521 I HA -0.113 4.059 4.170 0.003 0.000 0.273 521 I C 2.122 178.189 176.117 -0.084 0.000 1.297 521 I CA 1.728 62.947 61.300 -0.135 0.000 1.452 521 I CB -0.329 37.587 38.000 -0.140 0.000 1.078 521 I HN 0.234 nan 8.210 nan 0.000 0.484 522 K N 1.055 121.389 120.400 -0.109 0.000 2.276 522 K HA -0.023 4.299 4.320 0.003 0.000 0.198 522 K C 1.353 177.919 176.600 -0.057 0.000 1.052 522 K CA 0.918 57.162 56.287 -0.072 0.000 0.984 522 K CB 0.207 32.657 32.500 -0.083 0.000 0.836 522 K HN 0.189 nan 8.250 nan 0.000 0.490 523 D N 0.903 121.259 120.400 -0.073 0.000 2.183 523 D HA -0.081 4.561 4.640 0.003 0.000 0.203 523 D C 1.671 177.951 176.300 -0.033 0.000 0.969 523 D CA 0.851 54.818 54.000 -0.055 0.000 0.842 523 D CB 0.122 40.882 40.800 -0.067 0.000 0.957 523 D HN 0.186 nan 8.370 nan 0.000 0.484 524 L N -0.216 120.990 121.223 -0.028 0.000 2.156 524 L HA -0.082 4.260 4.340 0.003 0.000 0.208 524 L C 1.912 178.793 176.870 0.018 0.000 1.095 524 L CA 0.245 55.090 54.840 0.008 0.000 0.770 524 L CB -0.085 41.986 42.059 0.019 0.000 0.914 524 L HN 0.065 nan 8.230 nan 0.000 0.439 525 L N -0.037 121.192 121.223 0.010 0.000 2.027 525 L HA -0.074 4.268 4.340 0.003 0.000 0.206 525 L C 2.587 179.460 176.870 0.006 0.000 1.074 525 L CA 2.012 56.865 54.840 0.021 0.000 0.745 525 L CB -1.390 40.681 42.059 0.020 0.000 0.898 525 L HN 0.167 nan 8.230 nan 0.000 0.433 526 G N -1.076 107.717 108.800 -0.011 0.000 2.432 526 G HA2 -0.249 3.713 3.960 0.003 0.000 0.219 526 G HA3 -0.249 3.713 3.960 0.003 0.000 0.219 526 G C 1.587 176.467 174.900 -0.034 0.000 1.135 526 G CA 0.760 45.847 45.100 -0.022 0.000 0.767 526 G HN 0.325 nan 8.290 nan 0.000 0.550 527 L N 0.361 121.564 121.223 -0.033 0.000 2.217 527 L HA 0.133 4.475 4.340 0.003 0.000 0.211 527 L C 2.499 179.332 176.870 -0.062 0.000 1.107 527 L CA 1.130 55.934 54.840 -0.061 0.000 0.783 527 L CB -0.671 41.368 42.059 -0.034 0.000 0.919 527 L HN 0.233 nan 8.230 nan 0.000 0.442 528 C N -0.396 118.897 119.300 -0.011 0.000 2.481 528 C HA 0.014 4.476 4.460 0.003 0.000 0.275 528 C C 2.475 177.465 174.990 0.000 0.000 1.419 528 C CA 0.253 59.279 59.018 0.015 0.000 1.773 528 C CB -0.845 26.929 27.740 0.057 0.000 1.862 528 C HN 0.563 nan 8.230 nan 0.000 0.530 529 E N 0.174 120.364 120.200 -0.017 0.000 2.060 529 E HA -0.147 4.205 4.350 0.003 0.000 0.189 529 E C 2.055 178.628 176.600 -0.045 0.000 0.974 529 E CA 0.659 57.047 56.400 -0.020 0.000 0.808 529 E CB -0.796 28.893 29.700 -0.018 0.000 0.768 529 E HN 0.771 nan 8.360 nan 0.000 0.453 530 Q N 1.387 121.143 119.800 -0.072 0.000 1.956 530 Q HA -0.167 4.175 4.340 0.003 0.000 0.208 530 Q C 0.114 176.039 176.000 -0.125 0.000 0.998 530 Q CA 1.311 57.052 55.803 -0.104 0.000 0.855 530 Q CB -0.053 28.601 28.738 -0.141 0.000 0.928 530 Q HN -0.159 nan 8.270 nan 0.000 0.418 531 K N 1.819 122.113 120.400 -0.178 0.000 2.430 531 K HA 0.029 4.351 4.320 0.003 0.000 0.280 531 K C -0.557 176.003 176.600 -0.066 0.000 1.063 531 K CA 0.697 56.877 56.287 -0.178 0.000 1.071 531 K CB 0.369 32.720 32.500 -0.250 0.000 0.899 531 K HN 0.212 nan 8.250 nan 0.000 0.473 532 R N 0.929 121.401 120.500 -0.045 0.000 2.902 532 R HA 0.722 5.064 4.340 0.003 0.000 0.258 532 R C -0.524 175.790 176.300 0.023 0.000 1.071 532 R CA -0.658 55.439 56.100 -0.005 0.000 1.024 532 R CB 1.961 32.253 30.300 -0.014 0.000 1.184 532 R HN 0.731 nan 8.270 nan 0.000 0.492 533 G N 1.338 110.158 108.800 0.034 0.000 3.322 533 G HA2 -0.180 3.782 3.960 0.003 0.000 0.686 533 G HA3 -0.180 3.782 3.960 0.003 0.000 0.686 533 G C 0.079 175.027 174.900 0.079 0.000 1.015 533 G CA -0.507 44.621 45.100 0.047 0.000 0.826 533 G HN 0.653 nan 8.290 nan 0.000 0.538 534 K N 0.536 120.962 120.400 0.044 0.000 2.228 534 K HA -0.180 4.142 4.320 0.003 0.000 0.205 534 K C 1.927 178.642 176.600 0.191 0.000 1.045 534 K CA 1.633 57.958 56.287 0.062 0.000 0.931 534 K CB -0.001 32.448 32.500 -0.086 0.000 0.727 534 K HN 0.554 nan 8.250 nan 0.000 0.458 535 D N 0.851 121.380 120.400 0.215 0.000 2.097 535 D HA -0.117 4.525 4.640 0.003 0.000 0.197 535 D C 1.477 178.042 176.300 0.440 0.000 0.984 535 D CA 1.098 55.335 54.000 0.395 0.000 0.826 535 D CB -0.006 41.026 40.800 0.387 0.000 0.973 535 D HN 0.175 nan 8.370 nan 0.000 0.460 536 N N 0.127 119.080 118.700 0.422 0.000 2.376 536 N HA -0.030 4.712 4.740 0.003 0.000 0.177 536 N C 1.550 177.258 175.510 0.330 0.000 1.024 536 N CA 0.278 53.639 53.050 0.518 0.000 0.893 536 N CB 0.185 38.914 38.487 0.403 0.000 0.980 536 N HN 0.258 nan 8.380 nan 0.000 0.439 537 K N 0.950 121.473 120.400 0.204 0.000 2.365 537 K HA 0.086 4.408 4.320 0.003 0.000 0.199 537 K C 1.890 178.546 176.600 0.094 0.000 1.045 537 K CA 0.476 56.846 56.287 0.137 0.000 0.962 537 K CB 0.169 32.735 32.500 0.109 0.000 0.759 537 K HN 0.090 nan 8.250 nan 0.000 0.469 538 A N 1.625 124.493 122.820 0.080 0.000 1.843 538 A HA -0.092 4.230 4.320 0.003 0.000 0.213 538 A C 1.951 179.486 177.584 -0.081 0.000 1.202 538 A CA 0.851 52.853 52.037 -0.058 0.000 0.607 538 A CB -0.276 18.666 19.000 -0.097 0.000 0.847 538 A HN 0.057 nan 8.150 nan 0.000 0.445 539 I N 0.451 120.983 120.570 -0.064 0.000 2.335 539 I HA -0.235 3.937 4.170 0.003 0.000 0.251 539 I C 2.313 178.449 176.117 0.031 0.000 1.129 539 I CA 1.256 62.485 61.300 -0.119 0.000 1.402 539 I CB -1.328 36.493 38.000 -0.297 0.000 1.069 539 I HN 0.315 nan 8.210 nan 0.000 0.424 540 I N 0.902 121.559 120.570 0.145 0.000 2.233 540 I HA -0.194 3.978 4.170 0.003 0.000 0.243 540 I C 2.768 178.950 176.117 0.107 0.000 1.093 540 I CA 1.172 62.573 61.300 0.168 0.000 1.380 540 I CB -0.451 37.667 38.000 0.198 0.000 1.067 540 I HN 0.104 nan 8.210 nan 0.000 0.413 541 A N 0.312 123.179 122.820 0.079 0.000 1.933 541 A HA -0.196 4.126 4.320 0.003 0.000 0.218 541 A C 2.486 180.119 177.584 0.083 0.000 1.175 541 A CA 2.190 54.284 52.037 0.096 0.000 0.628 541 A CB -0.703 18.323 19.000 0.043 0.000 0.814 541 A HN 0.385 nan 8.150 nan 0.000 0.444 542 S N 0.672 116.377 115.700 0.008 0.000 2.356 542 S HA -0.152 4.320 4.470 0.003 0.000 0.223 542 S C 1.679 176.350 174.600 0.118 0.000 1.032 542 S CA 1.554 59.774 58.200 0.034 0.000 1.005 542 S CB -0.464 62.712 63.200 -0.040 0.000 0.867 542 S HN 0.689 nan 8.310 nan 0.000 0.449 543 N N 1.003 119.758 118.700 0.092 0.000 2.550 543 N HA 0.159 4.901 4.740 0.003 0.000 0.186 543 N C 1.248 176.861 175.510 0.171 0.000 1.110 543 N CA 0.432 53.559 53.050 0.129 0.000 0.912 543 N CB -0.227 38.284 38.487 0.041 0.000 0.968 543 N HN 0.442 nan 8.380 nan 0.000 0.448 544 I N -0.455 120.206 120.570 0.152 0.000 2.628 544 I HA -0.041 4.131 4.170 0.003 0.000 0.255 544 I C 1.840 178.058 176.117 0.168 0.000 1.119 544 I CA 0.446 61.830 61.300 0.139 0.000 1.448 544 I CB -0.032 38.045 38.000 0.128 0.000 1.133 544 I HN 0.039 nan 8.210 nan 0.000 0.438 545 M N 0.043 119.762 119.600 0.200 0.000 2.108 545 M HA -0.251 4.231 4.480 0.003 0.000 0.261 545 M C 2.526 178.961 176.300 0.225 0.000 1.066 545 M CA 2.063 57.490 55.300 0.212 0.000 1.107 545 M CB -1.181 31.565 32.600 0.244 0.000 1.356 545 M HN 0.275 nan 8.290 nan 0.000 0.406 546 Y N 1.338 121.724 120.300 0.143 0.000 2.200 546 Y HA -0.179 4.373 4.550 0.003 0.000 0.290 546 Y C 2.179 178.191 175.900 0.186 0.000 1.137 546 Y CA 1.354 59.549 58.100 0.159 0.000 1.163 546 Y CB -0.238 38.325 38.460 0.171 0.000 0.988 546 Y HN 0.019 nan 8.280 nan 0.000 0.518 547 I N -0.419 120.215 120.570 0.106 0.000 2.208 547 I HA -0.283 3.889 4.170 0.003 0.000 0.245 547 I C 2.378 178.537 176.117 0.070 0.000 1.097 547 I CA 1.303 62.633 61.300 0.050 0.000 1.363 547 I CB -1.438 36.605 38.000 0.071 0.000 1.051 547 I HN 0.189 nan 8.210 nan 0.000 0.413 548 V N 1.086 121.052 119.914 0.086 0.000 2.307 548 V HA -0.178 3.944 4.120 0.003 0.000 0.245 548 V C 2.673 178.853 176.094 0.142 0.000 1.045 548 V CA 2.005 64.390 62.300 0.141 0.000 1.024 548 V CB -1.499 30.419 31.823 0.159 0.000 0.651 548 V HN 0.506 nan 8.190 nan 0.000 0.449 549 G N -0.813 108.028 108.800 0.068 0.000 2.479 549 G HA2 -0.214 3.748 3.960 0.003 0.000 0.220 549 G HA3 -0.214 3.748 3.960 0.003 0.000 0.220 549 G C 1.371 176.254 174.900 -0.028 0.000 1.115 549 G CA 0.441 45.562 45.100 0.035 0.000 0.757 549 G HN 0.495 nan 8.290 nan 0.000 0.560 550 Q N -0.704 119.041 119.800 -0.091 0.000 2.360 550 Q HA 0.139 4.481 4.340 0.003 0.000 0.202 550 Q C -0.456 175.467 176.000 -0.130 0.000 0.915 550 Q CA 0.122 55.838 55.803 -0.145 0.000 0.943 550 Q CB 0.382 28.951 28.738 -0.281 0.000 1.064 550 Q HN 0.678 nan 8.270 nan 0.000 0.511 551 Y N 0.126 120.422 120.300 -0.006 0.000 2.658 551 Y HA 0.239 4.791 4.550 0.003 0.000 0.362 551 Y C -1.661 174.314 175.900 0.125 0.000 1.017 551 Y CA -1.927 56.211 58.100 0.064 0.000 1.134 551 Y CB 1.466 39.961 38.460 0.057 0.000 1.144 551 Y HN 0.044 nan 8.280 nan 0.000 0.655 552 P HA -0.157 nan 4.420 nan 0.000 0.215 552 P C 1.721 179.097 177.300 0.126 0.000 1.157 552 P CA 1.239 64.406 63.100 0.111 0.000 0.859 552 P CB 0.296 32.016 31.700 0.033 0.000 0.786 553 R N -0.960 119.615 120.500 0.126 0.000 2.133 553 R HA -0.207 4.135 4.340 0.003 0.000 0.247 553 R C 2.132 178.515 176.300 0.139 0.000 1.151 553 R CA 1.538 57.704 56.100 0.110 0.000 0.971 553 R CB -1.010 29.358 30.300 0.113 0.000 0.866 553 R HN 0.096 nan 8.270 nan 0.000 0.447 554 F N 1.006 121.033 119.950 0.128 0.000 2.113 554 F HA -0.124 4.405 4.527 0.004 0.000 0.297 554 F C 1.837 177.711 175.800 0.123 0.000 1.103 554 F CA 1.472 59.565 58.000 0.156 0.000 1.248 554 F CB -0.138 39.015 39.000 0.254 0.000 0.999 554 F HN -0.025 nan 8.300 nan 0.000 0.475 555 L N -0.149 121.276 121.223 0.337 0.000 2.131 555 L HA -0.194 4.148 4.340 0.003 0.000 0.210 555 L C 2.556 179.411 176.870 -0.025 0.000 1.092 555 L CA 1.255 56.235 54.840 0.233 0.000 0.759 555 L CB -0.742 41.436 42.059 0.197 0.000 0.903 555 L HN 0.102 nan 8.230 nan 0.000 0.435 556 R N 0.069 120.492 120.500 -0.128 0.000 2.092 556 R HA -0.103 4.239 4.340 0.003 0.000 0.231 556 R C 2.469 178.750 176.300 -0.031 0.000 1.119 556 R CA 1.297 57.271 56.100 -0.211 0.000 0.970 556 R CB -0.381 29.842 30.300 -0.128 0.000 0.864 556 R HN 0.350 nan 8.270 nan 0.000 0.440 557 A N 1.192 123.851 122.820 -0.269 0.000 1.897 557 A HA -0.086 4.236 4.320 0.003 0.000 0.215 557 A C 0.568 177.937 177.584 -0.357 0.000 1.181 557 A CA 0.890 52.689 52.037 -0.398 0.000 0.620 557 A CB -0.240 18.339 19.000 -0.702 0.000 0.821 557 A HN 0.285 nan 8.150 nan 0.000 0.443 558 H N -1.304 117.711 119.070 -0.093 0.000 2.702 558 H HA 0.040 4.598 4.556 0.003 0.000 0.252 558 H C 0.603 175.985 175.328 0.091 0.000 1.493 558 H CA -0.887 55.135 56.048 -0.045 0.000 1.273 558 H CB -0.416 29.224 29.762 -0.203 0.000 1.537 558 H HN 0.753 nan 8.280 nan 0.000 0.547 559 W N 4.728 126.038 121.300 0.016 0.000 2.358 559 W HA -0.205 4.457 4.660 0.004 0.000 0.303 559 W C 1.756 178.241 176.519 -0.057 0.000 1.208 559 W CA 1.229 58.549 57.345 -0.042 0.000 1.274 559 W CB 0.133 29.559 29.460 -0.055 0.000 1.138 559 W HN 0.419 nan 8.180 nan 0.000 0.515 560 K N 0.201 120.503 120.400 -0.162 0.000 2.074 560 K HA -0.300 4.022 4.320 0.003 0.000 0.209 560 K C 2.216 178.664 176.600 -0.253 0.000 1.048 560 K CA 2.056 58.175 56.287 -0.280 0.000 0.926 560 K CB -1.021 31.446 32.500 -0.055 0.000 0.713 560 K HN 0.222 nan 8.250 nan 0.000 0.444 561 F N 1.021 120.849 119.950 -0.204 0.000 2.146 561 F HA -0.189 4.340 4.527 0.003 0.000 0.298 561 F C 1.932 177.610 175.800 -0.203 0.000 1.096 561 F CA 0.826 58.745 58.000 -0.135 0.000 1.275 561 F CB -0.137 38.869 39.000 0.010 0.000 1.008 561 F HN 0.065 nan 8.300 nan 0.000 0.480 562 L N 1.416 122.407 121.223 -0.387 0.000 2.017 562 L HA -0.187 4.155 4.340 0.003 0.000 0.208 562 L C 2.375 178.780 176.870 -0.775 0.000 1.073 562 L CA 1.979 56.503 54.840 -0.527 0.000 0.745 562 L CB -1.119 40.755 42.059 -0.309 0.000 0.894 562 L HN 0.159 nan 8.230 nan 0.000 0.432 563 K N -1.563 118.109 120.400 -1.214 0.000 2.286 563 K HA -0.170 4.152 4.320 0.003 0.000 0.203 563 K C 1.564 177.725 176.600 -0.732 0.000 1.045 563 K CA 1.730 57.206 56.287 -1.351 0.000 0.935 563 K CB -0.026 31.515 32.500 -1.600 0.000 0.737 563 K HN 0.488 nan 8.250 nan 0.000 0.460 564 T N -0.182 114.023 114.554 -0.582 0.000 2.866 564 T HA -0.035 4.317 4.350 0.003 0.000 0.250 564 T C 1.802 176.265 174.700 -0.395 0.000 1.033 564 T CA 0.891 62.749 62.100 -0.403 0.000 1.145 564 T CB -0.024 68.655 68.868 -0.314 0.000 0.866 564 T HN -0.043 nan 8.240 nan 0.000 0.434 565 V N 1.835 121.447 119.914 -0.502 0.000 2.324 565 V HA -0.178 3.944 4.120 0.003 0.000 0.250 565 V C 2.661 178.590 176.094 -0.276 0.000 1.060 565 V CA 1.512 63.577 62.300 -0.391 0.000 1.042 565 V CB -0.917 30.642 31.823 -0.440 0.000 0.650 565 V HN 0.287 nan 8.190 nan 0.000 0.450 566 V N 0.223 119.974 119.914 -0.273 0.000 2.358 566 V HA -0.223 3.899 4.120 0.003 0.000 0.246 566 V C 2.388 178.118 176.094 -0.607 0.000 1.047 566 V CA 2.096 64.219 62.300 -0.295 0.000 1.035 566 V CB -0.823 30.976 31.823 -0.040 0.000 0.658 566 V HN 0.542 nan 8.190 nan 0.000 0.452 567 N N 0.258 118.715 118.700 -0.405 0.000 2.166 567 N HA -0.175 4.567 4.740 0.003 0.000 0.186 567 N C 1.849 177.223 175.510 -0.227 0.000 1.019 567 N CA 1.279 54.172 53.050 -0.262 0.000 0.856 567 N CB -0.239 38.185 38.487 -0.105 0.000 0.993 567 N HN 0.295 nan 8.380 nan 0.000 0.426 568 K N 0.945 121.171 120.400 -0.290 0.000 2.288 568 K HA 0.126 4.448 4.320 0.003 0.000 0.201 568 K C 1.867 178.171 176.600 -0.492 0.000 1.048 568 K CA 0.438 56.494 56.287 -0.385 0.000 0.956 568 K CB -0.196 32.067 32.500 -0.395 0.000 0.746 568 K HN 0.174 nan 8.250 nan 0.000 0.461 569 L N -0.631 120.405 121.223 -0.313 0.000 2.179 569 L HA -0.027 4.315 4.340 0.003 0.000 0.208 569 L C 1.338 178.225 176.870 0.029 0.000 1.096 569 L CA 0.413 55.174 54.840 -0.130 0.000 0.779 569 L CB -0.280 41.720 42.059 -0.098 0.000 0.922 569 L HN 0.084 nan 8.230 nan 0.000 0.443 570 F N 0.339 120.201 119.950 -0.148 0.000 2.699 570 F HA -0.115 4.414 4.527 0.003 0.000 0.298 570 F C 2.370 178.175 175.800 0.008 0.000 1.154 570 F CA 0.707 58.645 58.000 -0.104 0.000 1.457 570 F CB -0.622 38.334 39.000 -0.073 0.000 1.106 570 F HN 0.169 nan 8.300 nan 0.000 0.585 571 E N -0.099 120.159 120.200 0.096 0.000 2.057 571 E HA -0.074 4.278 4.350 0.003 0.000 0.190 571 E C 1.899 178.620 176.600 0.202 0.000 0.969 571 E CA 0.973 57.407 56.400 0.056 0.000 0.812 571 E CB -0.426 29.160 29.700 -0.189 0.000 0.777 571 E HN 0.107 nan 8.360 nan 0.000 0.455 572 F N 0.679 120.705 119.950 0.127 0.000 2.408 572 F HA -0.101 4.428 4.527 0.004 0.000 0.300 572 F C 1.909 177.754 175.800 0.075 0.000 1.090 572 F CA 0.717 58.776 58.000 0.099 0.000 1.427 572 F CB -0.557 38.490 39.000 0.077 0.000 1.070 572 F HN 0.171 nan 8.300 nan 0.000 0.549 573 M N -0.927 118.805 119.600 0.220 0.000 2.202 573 M HA -0.208 4.274 4.480 0.003 0.000 0.262 573 M C 1.566 177.782 176.300 -0.139 0.000 1.063 573 M CA 1.736 57.020 55.300 -0.026 0.000 1.097 573 M CB -1.542 30.923 32.600 -0.224 0.000 1.382 573 M HN 0.229 nan 8.290 nan 0.000 0.413 574 H N -1.180 117.933 119.070 0.071 0.000 2.551 574 H HA 0.148 4.706 4.556 0.003 0.000 0.271 574 H C 0.244 175.621 175.328 0.082 0.000 0.984 574 H CA -0.089 55.990 56.048 0.051 0.000 1.164 574 H CB 0.011 29.793 29.762 0.033 0.000 1.437 574 H HN 0.173 nan 8.280 nan 0.000 0.550 575 E N 1.665 121.998 120.200 0.222 0.000 1.985 575 E HA -0.019 4.333 4.350 0.003 0.000 0.268 575 E C 0.948 177.624 176.600 0.127 0.000 1.219 575 E CA -0.059 56.452 56.400 0.185 0.000 0.942 575 E CB 0.118 29.940 29.700 0.203 0.000 1.045 575 E HN 0.422 nan 8.360 nan 0.000 0.413 576 T N 0.873 115.496 114.554 0.116 0.000 3.098 576 T HA -0.163 4.189 4.350 0.003 0.000 0.266 576 T C 0.876 175.651 174.700 0.125 0.000 1.145 576 T CA 0.384 62.538 62.100 0.090 0.000 1.092 576 T CB -0.482 68.430 68.868 0.072 0.000 0.908 576 T HN 0.602 nan 8.240 nan 0.000 0.526 577 H N 2.854 121.933 119.070 0.015 0.000 3.004 577 H HA 0.157 4.715 4.556 0.003 0.000 0.316 577 H C -0.023 175.293 175.328 -0.020 0.000 1.014 577 H CA -0.678 55.369 56.048 -0.002 0.000 1.454 577 H CB 0.373 30.131 29.762 -0.007 0.000 1.472 577 H HN 0.572 nan 8.280 nan 0.000 0.571 578 D N 2.941 123.330 120.400 -0.018 0.000 2.515 578 D HA 0.048 4.690 4.640 0.003 0.000 0.232 578 D C 1.373 177.504 176.300 -0.282 0.000 1.157 578 D CA 0.691 54.611 54.000 -0.134 0.000 0.871 578 D CB 0.378 41.130 40.800 -0.080 0.000 1.200 578 D HN 0.806 nan 8.370 nan 0.000 0.466 579 G N 0.460 109.158 108.800 -0.170 0.000 2.550 579 G HA2 -0.400 3.562 3.960 0.003 0.000 0.233 579 G HA3 -0.400 3.562 3.960 0.003 0.000 0.233 579 G C 1.146 175.957 174.900 -0.147 0.000 1.170 579 G CA 0.355 45.353 45.100 -0.170 0.000 0.693 579 G HN 0.652 nan 8.290 nan 0.000 0.512 580 V N 1.195 120.992 119.914 -0.194 0.000 2.233 580 V HA -0.293 3.829 4.120 0.003 0.000 0.247 580 V C 2.809 178.870 176.094 -0.056 0.000 1.050 580 V CA 3.103 65.295 62.300 -0.180 0.000 1.010 580 V CB -0.890 30.812 31.823 -0.201 0.000 0.637 580 V HN 0.626 nan 8.190 nan 0.000 0.444 581 Q N -0.494 119.299 119.800 -0.011 0.000 2.112 581 Q HA -0.267 4.075 4.340 0.003 0.000 0.206 581 Q C 2.115 178.154 176.000 0.064 0.000 0.987 581 Q CA 1.924 57.751 55.803 0.039 0.000 0.858 581 Q CB -0.307 28.442 28.738 0.018 0.000 0.905 581 Q HN 0.651 nan 8.270 nan 0.000 0.420 582 D N 0.241 120.667 120.400 0.043 0.000 2.097 582 D HA -0.160 4.482 4.640 0.003 0.000 0.195 582 D C 1.749 178.120 176.300 0.118 0.000 0.989 582 D CA 0.927 54.975 54.000 0.080 0.000 0.827 582 D CB -0.243 40.586 40.800 0.049 0.000 0.966 582 D HN 0.214 nan 8.370 nan 0.000 0.456 583 M N 0.693 120.340 119.600 0.078 0.000 2.149 583 M HA -0.162 4.320 4.480 0.003 0.000 0.261 583 M C 1.962 178.369 176.300 0.178 0.000 1.064 583 M CA 1.379 56.744 55.300 0.107 0.000 1.102 583 M CB -0.051 32.568 32.600 0.032 0.000 1.369 583 M HN -0.043 nan 8.290 nan 0.000 0.408 584 A N -0.432 122.503 122.820 0.191 0.000 1.933 584 A HA -0.183 4.139 4.320 0.003 0.000 0.218 584 A C 2.179 179.951 177.584 0.313 0.000 1.175 584 A CA 1.799 54.003 52.037 0.279 0.000 0.628 584 A CB -1.216 17.956 19.000 0.288 0.000 0.814 584 A HN 0.718 nan 8.150 nan 0.000 0.444 585 C N -0.842 118.632 119.300 0.290 0.000 2.485 585 C HA 0.029 4.491 4.460 0.003 0.000 0.278 585 C C 2.258 177.442 174.990 0.323 0.000 1.356 585 C CA 0.595 59.836 59.018 0.371 0.000 1.747 585 C CB -0.968 26.955 27.740 0.305 0.000 2.001 585 C HN 0.598 nan 8.230 nan 0.000 0.501 586 D N 1.162 121.710 120.400 0.247 0.000 2.084 586 D HA -0.099 4.543 4.640 0.003 0.000 0.194 586 D C 2.149 178.555 176.300 0.177 0.000 0.990 586 D CA 1.619 55.730 54.000 0.183 0.000 0.826 586 D CB -0.726 40.197 40.800 0.206 0.000 0.971 586 D HN 0.347 nan 8.370 nan 0.000 0.453 587 T N 0.287 114.979 114.554 0.229 0.000 3.007 587 T HA -0.079 4.273 4.350 0.003 0.000 0.270 587 T C 1.433 176.292 174.700 0.264 0.000 1.107 587 T CA 0.270 62.507 62.100 0.228 0.000 1.118 587 T CB -0.179 68.836 68.868 0.246 0.000 0.889 587 T HN 0.074 nan 8.240 nan 0.000 0.506 588 F N 1.451 121.484 119.950 0.139 0.000 2.147 588 F HA 0.272 4.801 4.527 0.003 0.000 0.291 588 F C 1.865 177.720 175.800 0.092 0.000 1.093 588 F CA -0.030 58.050 58.000 0.132 0.000 1.263 588 F CB -0.629 38.500 39.000 0.214 0.000 1.036 588 F HN 0.041 nan 8.300 nan 0.000 0.481 589 I N 0.345 120.849 120.570 -0.109 0.000 2.567 589 I HA -0.270 3.902 4.170 0.003 0.000 0.257 589 I C 2.222 178.258 176.117 -0.135 0.000 1.184 589 I CA 0.972 62.142 61.300 -0.217 0.000 1.451 589 I CB -0.307 37.675 38.000 -0.031 0.000 1.089 589 I HN 0.072 nan 8.210 nan 0.000 0.441 590 K N 0.680 121.045 120.400 -0.057 0.000 2.026 590 K HA -0.141 4.181 4.320 0.003 0.000 0.208 590 K C 1.960 178.531 176.600 -0.049 0.000 1.048 590 K CA 1.661 57.922 56.287 -0.044 0.000 0.929 590 K CB -0.282 32.230 32.500 0.020 0.000 0.713 590 K HN 0.409 nan 8.250 nan 0.000 0.439 591 I N 0.529 121.088 120.570 -0.020 0.000 2.333 591 I HA -0.172 4.000 4.170 0.003 0.000 0.246 591 I C 2.401 178.510 176.117 -0.013 0.000 1.106 591 I CA 0.786 62.110 61.300 0.040 0.000 1.411 591 I CB -0.405 37.688 38.000 0.155 0.000 1.082 591 I HN 0.008 nan 8.210 nan 0.000 0.420 592 A N 0.591 123.254 122.820 -0.262 0.000 1.997 592 A HA -0.283 4.039 4.320 0.003 0.000 0.221 592 A C 2.250 179.729 177.584 -0.174 0.000 1.172 592 A CA 1.858 53.635 52.037 -0.434 0.000 0.645 592 A CB -0.555 18.009 19.000 -0.726 0.000 0.813 592 A HN 0.530 nan 8.150 nan 0.000 0.454 593 Q N -0.644 119.059 119.800 -0.162 0.000 2.008 593 Q HA -0.067 4.275 4.340 0.003 0.000 0.196 593 Q C 1.901 177.832 176.000 -0.115 0.000 0.973 593 Q CA 1.378 57.035 55.803 -0.244 0.000 0.826 593 Q CB -0.206 28.286 28.738 -0.409 0.000 0.894 593 Q HN 0.655 nan 8.270 nan 0.000 0.439 594 K N -0.127 120.231 120.400 -0.071 0.000 2.362 594 K HA -0.013 4.309 4.320 0.003 0.000 0.200 594 K C 1.020 177.639 176.600 0.031 0.000 1.046 594 K CA 0.603 56.874 56.287 -0.027 0.000 0.952 594 K CB 0.249 32.735 32.500 -0.024 0.000 0.753 594 K HN 0.193 nan 8.250 nan 0.000 0.466 595 C N 1.007 120.373 119.300 0.110 0.000 3.098 595 C HA 0.211 4.673 4.460 0.003 0.000 0.265 595 C C 1.696 176.946 174.990 0.432 0.000 1.572 595 C CA -1.012 58.112 59.018 0.177 0.000 1.788 595 C CB -0.670 27.161 27.740 0.151 0.000 2.982 595 C HN 0.477 nan 8.230 nan 0.000 0.532 596 R N 1.366 122.044 120.500 0.297 0.000 2.170 596 R HA -0.102 4.240 4.340 0.003 0.000 0.242 596 R C 1.730 178.240 176.300 0.349 0.000 1.145 596 R CA 1.264 57.546 56.100 0.303 0.000 0.984 596 R CB -0.311 30.062 30.300 0.122 0.000 0.869 596 R HN 0.326 nan 8.270 nan 0.000 0.455 597 R N 0.443 121.123 120.500 0.300 0.000 2.148 597 R HA -0.064 4.278 4.340 0.003 0.000 0.227 597 R C 1.476 177.861 176.300 0.142 0.000 1.103 597 R CA 1.401 57.621 56.100 0.201 0.000 0.983 597 R CB -0.479 29.913 30.300 0.153 0.000 0.874 597 R HN 0.504 nan 8.270 nan 0.000 0.451 598 H N -1.028 118.042 119.070 0.001 0.000 2.512 598 H HA 0.087 4.645 4.556 0.004 0.000 0.279 598 H C 1.417 176.563 175.328 -0.302 0.000 0.999 598 H CA 0.587 56.488 56.048 -0.244 0.000 1.283 598 H CB -0.247 29.334 29.762 -0.302 0.000 1.421 598 H HN 0.108 nan 8.280 nan 0.000 0.554 599 F N -0.110 119.951 119.950 0.184 0.000 2.456 599 F HA -0.071 4.458 4.527 0.003 0.000 0.298 599 F C 2.112 177.990 175.800 0.129 0.000 1.104 599 F CA 0.605 58.756 58.000 0.251 0.000 1.435 599 F CB -0.029 39.148 39.000 0.296 0.000 1.078 599 F HN 0.077 nan 8.300 nan 0.000 0.546 600 V N -1.681 118.357 119.914 0.207 0.000 2.581 600 V HA 0.014 4.136 4.120 0.003 0.000 0.240 600 V C 0.878 176.982 176.094 0.017 0.000 1.054 600 V CA -0.016 62.347 62.300 0.105 0.000 1.076 600 V CB -1.171 30.702 31.823 0.083 0.000 0.748 600 V HN 0.277 nan 8.190 nan 0.000 0.474 601 Q N 1.241 121.010 119.800 -0.052 0.000 2.354 601 Q HA 0.511 4.854 4.340 0.003 0.000 0.244 601 Q C -0.406 175.498 176.000 -0.160 0.000 0.969 601 Q CA -0.594 55.146 55.803 -0.106 0.000 0.885 601 Q CB 1.464 30.114 28.738 -0.147 0.000 1.241 601 Q HN 0.256 nan 8.270 nan 0.000 0.461 602 V N 2.242 122.076 119.914 -0.134 0.000 2.763 602 V HA -0.018 4.104 4.120 0.003 0.000 0.306 602 V C 0.356 176.299 176.094 -0.251 0.000 1.059 602 V CA -0.137 62.076 62.300 -0.146 0.000 1.138 602 V CB 0.788 32.558 31.823 -0.088 0.000 0.940 602 V HN 0.760 nan 8.190 nan 0.000 0.489 603 Q N 2.046 121.657 119.800 -0.314 0.000 2.222 603 Q HA 0.427 4.769 4.340 0.003 0.000 0.252 603 Q C -0.527 175.347 176.000 -0.210 0.000 0.926 603 Q CA -0.694 54.846 55.803 -0.438 0.000 0.899 603 Q CB 1.998 30.192 28.738 -0.907 0.000 1.250 603 Q HN 0.574 nan 8.270 nan 0.000 0.441 604 V N 1.252 121.066 119.914 -0.167 0.000 2.540 604 V HA 0.221 4.343 4.120 0.003 0.000 0.297 604 V C 1.150 177.242 176.094 -0.004 0.000 1.024 604 V CA 1.086 63.346 62.300 -0.067 0.000 1.105 604 V CB 0.107 31.900 31.823 -0.051 0.000 0.938 604 V HN 0.998 nan 8.190 nan 0.000 0.482 605 G N 3.437 112.245 108.800 0.014 0.000 2.291 605 G HA2 -0.153 3.809 3.960 0.003 0.000 0.271 605 G HA3 -0.153 3.809 3.960 0.003 0.000 0.271 605 G C -0.379 174.569 174.900 0.079 0.000 1.099 605 G CA 0.328 45.458 45.100 0.050 0.000 0.919 605 G HN 0.907 nan 8.290 nan 0.000 0.496 606 E N -1.644 118.589 120.200 0.055 0.000 2.363 606 E HA 0.585 4.937 4.350 0.003 0.000 0.281 606 E C 1.141 177.776 176.600 0.059 0.000 0.953 606 E CA -0.038 56.412 56.400 0.085 0.000 0.778 606 E CB 1.562 31.316 29.700 0.090 0.000 1.220 606 E HN 0.742 nan 8.360 nan 0.000 0.431 607 V N 1.038 121.000 119.914 0.079 0.000 2.216 607 V HA 0.087 4.209 4.120 0.003 0.000 0.243 607 V C 0.951 177.076 176.094 0.051 0.000 1.044 607 V CA 1.168 63.504 62.300 0.061 0.000 0.995 607 V CB -0.741 31.124 31.823 0.070 0.000 0.633 607 V HN 0.594 nan 8.190 nan 0.000 0.446 608 M N -0.111 119.534 119.600 0.075 0.000 2.691 608 M HA 0.572 5.054 4.480 0.003 0.000 0.293 608 M C -2.859 173.495 176.300 0.090 0.000 1.259 608 M CA -2.000 53.337 55.300 0.062 0.000 0.827 608 M CB 2.084 34.720 32.600 0.059 0.000 1.753 608 M HN -0.050 nan 8.290 nan 0.000 0.465 609 P HA -0.064 nan 4.420 nan 0.000 0.267 609 P C 0.021 177.454 177.300 0.222 0.000 1.201 609 P CA 0.162 63.314 63.100 0.087 0.000 0.775 609 P CB 0.572 32.304 31.700 0.054 0.000 0.854 610 F N 2.438 122.466 119.950 0.131 0.000 2.163 610 F HA -0.127 4.402 4.527 0.003 0.000 0.297 610 F C 2.157 178.132 175.800 0.292 0.000 1.094 610 F CA 0.830 59.000 58.000 0.283 0.000 1.290 610 F CB -0.869 38.420 39.000 0.482 0.000 1.017 610 F HN 0.134 nan 8.300 nan 0.000 0.483 611 I N 1.196 121.921 120.570 0.257 0.000 2.236 611 I HA -0.363 3.809 4.170 0.003 0.000 0.249 611 I C 1.674 177.792 176.117 0.002 0.000 1.102 611 I CA 2.052 63.420 61.300 0.114 0.000 1.365 611 I CB -0.906 37.171 38.000 0.128 0.000 1.051 611 I HN 0.197 nan 8.210 nan 0.000 0.420 612 D N 0.154 120.571 120.400 0.029 0.000 2.087 612 D HA -0.279 4.363 4.640 0.003 0.000 0.192 612 D C 2.128 178.421 176.300 -0.013 0.000 0.993 612 D CA 1.803 55.815 54.000 0.019 0.000 0.828 612 D CB -0.397 40.428 40.800 0.042 0.000 0.968 612 D HN 0.574 nan 8.370 nan 0.000 0.448 613 E N 0.455 120.633 120.200 -0.038 0.000 2.130 613 E HA -0.214 4.138 4.350 0.003 0.000 0.196 613 E C 2.064 178.604 176.600 -0.099 0.000 0.998 613 E CA 0.858 57.225 56.400 -0.055 0.000 0.806 613 E CB -0.124 29.552 29.700 -0.040 0.000 0.738 613 E HN 0.340 nan 8.360 nan 0.000 0.459 614 I N 0.698 121.158 120.570 -0.183 0.000 2.361 614 I HA -0.283 3.889 4.170 0.003 0.000 0.251 614 I C 2.280 178.372 176.117 -0.042 0.000 1.133 614 I CA 0.845 62.083 61.300 -0.102 0.000 1.413 614 I CB -0.153 37.824 38.000 -0.039 0.000 1.073 614 I HN 0.240 nan 8.210 nan 0.000 0.424 615 L N 0.053 121.264 121.223 -0.021 0.000 2.131 615 L HA -0.087 4.255 4.340 0.003 0.000 0.206 615 L C 2.121 179.006 176.870 0.026 0.000 1.087 615 L CA 0.822 55.675 54.840 0.022 0.000 0.767 615 L CB -0.607 41.477 42.059 0.042 0.000 0.917 615 L HN 0.287 nan 8.230 nan 0.000 0.441 616 N N 0.440 119.147 118.700 0.013 0.000 2.381 616 N HA -0.094 4.648 4.740 0.003 0.000 0.182 616 N C 0.341 175.854 175.510 0.005 0.000 1.025 616 N CA 0.869 53.930 53.050 0.018 0.000 0.888 616 N CB -0.052 38.447 38.487 0.020 0.000 0.965 616 N HN 0.325 nan 8.380 nan 0.000 0.438 617 N N 0.601 119.289 118.700 -0.019 0.000 2.660 617 N HA 0.186 4.928 4.740 0.003 0.000 0.316 617 N C 0.530 175.982 175.510 -0.096 0.000 1.774 617 N CA -0.067 52.958 53.050 -0.042 0.000 0.946 617 N CB 0.751 39.217 38.487 -0.035 0.000 1.322 617 N HN 0.217 nan 8.380 nan 0.000 0.492 618 I N 0.277 120.809 120.570 -0.063 0.000 3.228 618 I HA 0.006 4.178 4.170 0.003 0.000 0.279 618 I C 1.132 177.187 176.117 -0.103 0.000 1.221 618 I CA 0.530 61.775 61.300 -0.092 0.000 1.458 618 I CB 0.325 38.334 38.000 0.015 0.000 1.105 618 I HN 0.181 nan 8.210 nan 0.000 0.445 619 N N -0.076 118.598 118.700 -0.044 0.000 2.521 619 N HA -0.087 4.655 4.740 0.003 0.000 0.188 619 N C 1.064 176.548 175.510 -0.043 0.000 1.146 619 N CA 1.217 54.251 53.050 -0.027 0.000 0.893 619 N CB -0.065 38.426 38.487 0.007 0.000 0.975 619 N HN 0.388 nan 8.380 nan 0.000 0.451 620 T N -3.075 111.435 114.554 -0.073 0.000 2.958 620 T HA 0.308 4.660 4.350 0.003 0.000 0.256 620 T C 1.686 176.377 174.700 -0.014 0.000 0.983 620 T CA -0.336 61.756 62.100 -0.013 0.000 0.924 620 T CB -0.222 68.642 68.868 -0.007 0.000 1.136 620 T HN 0.050 nan 8.240 nan 0.000 0.506 621 I N 1.855 122.271 120.570 -0.256 0.000 2.716 621 I HA 0.231 4.403 4.170 0.003 0.000 0.259 621 I C 2.031 177.772 176.117 -0.627 0.000 1.172 621 I CA 0.984 61.991 61.300 -0.487 0.000 1.478 621 I CB -0.067 37.345 38.000 -0.980 0.000 1.104 621 I HN 0.332 nan 8.210 nan 0.000 0.439 622 I N -3.009 117.244 120.570 -0.529 0.000 3.976 622 I HA 0.093 4.265 4.170 0.003 0.000 0.337 622 I C 2.291 178.250 176.117 -0.263 0.000 1.359 622 I CA -0.263 60.777 61.300 -0.433 0.000 1.098 622 I CB -0.388 37.411 38.000 -0.335 0.000 1.027 622 I HN 0.139 nan 8.210 nan 0.000 0.394 623 C N 3.634 122.806 119.300 -0.212 0.000 2.326 623 C HA -0.273 4.189 4.460 0.003 0.000 0.269 623 C C 1.347 176.284 174.990 -0.087 0.000 1.140 623 C CA 2.298 61.267 59.018 -0.082 0.000 1.798 623 C CB -1.108 26.671 27.740 0.065 0.000 2.053 623 C HN 0.863 nan 8.230 nan 0.000 0.438 624 D N 0.038 120.345 120.400 -0.156 0.000 2.886 624 D HA 0.419 5.061 4.640 0.003 0.000 0.355 624 D C -0.523 175.699 176.300 -0.130 0.000 1.274 624 D CA 0.007 53.949 54.000 -0.097 0.000 0.836 624 D CB -0.709 40.074 40.800 -0.028 0.000 1.109 624 D HN 0.463 nan 8.370 nan 0.000 0.488 625 L N 0.449 121.588 121.223 -0.140 0.000 2.325 625 L HA 0.370 4.712 4.340 0.003 0.000 0.278 625 L C 0.624 177.448 176.870 -0.077 0.000 1.023 625 L CA -1.038 53.732 54.840 -0.116 0.000 0.811 625 L CB 1.848 43.819 42.059 -0.147 0.000 1.249 625 L HN 0.030 nan 8.230 nan 0.000 0.431 626 Q N 3.161 122.926 119.800 -0.057 0.000 2.386 626 Q HA -0.002 4.340 4.340 0.003 0.000 0.282 626 Q C -1.615 174.327 176.000 -0.098 0.000 1.050 626 Q CA -1.299 54.471 55.803 -0.054 0.000 0.918 626 Q CB 0.316 29.035 28.738 -0.032 0.000 1.266 626 Q HN 0.351 nan 8.270 nan 0.000 0.423 627 P HA -0.279 nan 4.420 nan 0.000 0.216 627 P C 1.134 178.138 177.300 -0.494 0.000 1.153 627 P CA 1.394 64.340 63.100 -0.256 0.000 0.858 627 P CB 0.135 31.756 31.700 -0.132 0.000 0.789 628 Q N -0.439 119.228 119.800 -0.223 0.000 2.234 628 Q HA -0.243 4.099 4.340 0.003 0.000 0.206 628 Q C 2.023 177.995 176.000 -0.046 0.000 0.980 628 Q CA 1.508 57.252 55.803 -0.099 0.000 0.869 628 Q CB -0.225 28.525 28.738 0.021 0.000 0.912 628 Q HN 0.350 nan 8.270 nan 0.000 0.436 629 Q N -0.936 118.838 119.800 -0.044 0.000 2.163 629 Q HA -0.041 4.301 4.340 0.003 0.000 0.198 629 Q C 2.133 178.198 176.000 0.109 0.000 0.954 629 Q CA 1.070 56.907 55.803 0.058 0.000 0.851 629 Q CB 0.322 29.085 28.738 0.042 0.000 0.928 629 Q HN 0.197 nan 8.270 nan 0.000 0.459 630 V N 1.106 121.021 119.914 0.002 0.000 2.392 630 V HA -0.300 3.822 4.120 0.003 0.000 0.249 630 V C 1.960 178.282 176.094 0.379 0.000 1.059 630 V CA 1.944 64.333 62.300 0.148 0.000 1.051 630 V CB -0.702 31.141 31.823 0.034 0.000 0.658 630 V HN 0.428 nan 8.190 nan 0.000 0.455 631 H N 0.249 119.453 119.070 0.224 0.000 2.270 631 H HA -0.110 4.447 4.556 0.003 0.000 0.299 631 H C 2.552 178.012 175.328 0.219 0.000 1.077 631 H CA 1.964 58.118 56.048 0.176 0.000 1.294 631 H CB -1.171 28.642 29.762 0.085 0.000 1.371 631 H HN 0.366 nan 8.280 nan 0.000 0.491 632 T N 1.727 116.478 114.554 0.327 0.000 2.759 632 T HA -0.179 4.173 4.350 0.003 0.000 0.269 632 T C 1.883 176.759 174.700 0.295 0.000 1.042 632 T CA 1.395 63.649 62.100 0.258 0.000 1.140 632 T CB -0.574 68.437 68.868 0.238 0.000 0.864 632 T HN 0.253 nan 8.240 nan 0.000 0.455 633 F N 0.649 120.747 119.950 0.247 0.000 2.102 633 F HA -0.094 4.435 4.527 0.003 0.000 0.298 633 F C 2.013 177.954 175.800 0.236 0.000 1.105 633 F CA 0.935 59.107 58.000 0.286 0.000 1.239 633 F CB -0.527 38.589 39.000 0.193 0.000 0.991 633 F HN 0.130 nan 8.300 nan 0.000 0.474 634 Y N 0.856 121.240 120.300 0.140 0.000 2.114 634 Y HA -0.256 4.296 4.550 0.003 0.000 0.284 634 Y C 2.734 178.611 175.900 -0.039 0.000 1.143 634 Y CA 2.189 60.325 58.100 0.059 0.000 1.135 634 Y CB -0.850 37.686 38.460 0.128 0.000 0.980 634 Y HN 0.210 nan 8.280 nan 0.000 0.499 635 E N 0.086 120.332 120.200 0.076 0.000 2.147 635 E HA -0.316 4.036 4.350 0.003 0.000 0.199 635 E C 2.249 178.580 176.600 -0.449 0.000 1.005 635 E CA 1.189 57.474 56.400 -0.192 0.000 0.810 635 E CB -0.236 29.381 29.700 -0.137 0.000 0.736 635 E HN 0.470 nan 8.360 nan 0.000 0.460 636 A N 0.403 123.047 122.820 -0.294 0.000 1.877 636 A HA -0.154 4.168 4.320 0.003 0.000 0.216 636 A C 2.419 179.721 177.584 -0.470 0.000 1.186 636 A CA 1.635 53.439 52.037 -0.389 0.000 0.620 636 A CB -0.715 17.967 19.000 -0.530 0.000 0.822 636 A HN 0.235 nan 8.150 nan 0.000 0.443 637 V N 0.090 119.716 119.914 -0.480 0.000 2.490 637 V HA -0.161 3.961 4.120 0.003 0.000 0.250 637 V C 2.781 178.596 176.094 -0.466 0.000 1.061 637 V CA 1.683 63.699 62.300 -0.474 0.000 1.064 637 V CB -1.503 30.003 31.823 -0.528 0.000 0.670 637 V HN 0.633 nan 8.190 nan 0.000 0.461 638 G N -0.823 107.765 108.800 -0.353 0.000 2.469 638 G HA2 -0.303 3.659 3.960 0.003 0.000 0.219 638 G HA3 -0.303 3.659 3.960 0.003 0.000 0.219 638 G C 1.372 176.120 174.900 -0.254 0.000 1.150 638 G CA 1.225 46.159 45.100 -0.276 0.000 0.763 638 G HN 0.512 nan 8.290 nan 0.000 0.561 639 Y N 0.316 120.525 120.300 -0.151 0.000 2.181 639 Y HA -0.004 4.548 4.550 0.003 0.000 0.288 639 Y C 3.057 178.879 175.900 -0.130 0.000 1.146 639 Y CA 1.107 59.129 58.100 -0.131 0.000 1.164 639 Y CB -0.668 37.698 38.460 -0.157 0.000 0.982 639 Y HN 0.128 nan 8.280 nan 0.000 0.515 640 M N -0.800 118.766 119.600 -0.057 0.000 2.086 640 M HA -0.213 4.269 4.480 0.003 0.000 0.261 640 M C 1.840 178.113 176.300 -0.046 0.000 1.067 640 M CA 1.404 56.665 55.300 -0.065 0.000 1.116 640 M CB -0.459 32.026 32.600 -0.191 0.000 1.348 640 M HN 0.119 nan 8.290 nan 0.000 0.407 641 I N 0.200 120.680 120.570 -0.149 0.000 2.567 641 I HA -0.160 4.012 4.170 0.003 0.000 0.257 641 I C 2.440 178.546 176.117 -0.018 0.000 1.184 641 I CA 1.507 62.731 61.300 -0.127 0.000 1.451 641 I CB -2.166 35.667 38.000 -0.279 0.000 1.089 641 I HN 0.360 nan 8.210 nan 0.000 0.441 642 G N 0.759 109.566 108.800 0.012 0.000 2.395 642 G HA2 -0.099 3.863 3.960 0.003 0.000 0.214 642 G HA3 -0.099 3.863 3.960 0.003 0.000 0.214 642 G C 1.863 176.797 174.900 0.057 0.000 1.177 642 G CA 0.739 45.874 45.100 0.059 0.000 0.794 642 G HN 0.451 nan 8.290 nan 0.000 0.532 643 A N 0.018 122.874 122.820 0.059 0.000 2.032 643 A HA -0.074 4.248 4.320 0.003 0.000 0.221 643 A C 1.773 179.384 177.584 0.045 0.000 1.165 643 A CA 1.681 53.752 52.037 0.058 0.000 0.645 643 A CB -0.364 18.686 19.000 0.083 0.000 0.807 643 A HN 0.413 nan 8.150 nan 0.000 0.453 644 Q N 1.207 121.033 119.800 0.044 0.000 2.359 644 Q HA 0.186 4.528 4.340 0.003 0.000 0.249 644 Q C 1.146 177.168 176.000 0.037 0.000 1.181 644 Q CA 0.829 56.654 55.803 0.036 0.000 0.897 644 Q CB 0.031 28.791 28.738 0.036 0.000 1.424 644 Q HN 0.576 nan 8.270 nan 0.000 0.478 645 T N -0.251 114.319 114.554 0.027 0.000 2.812 645 T HA -0.090 4.262 4.350 0.003 0.000 0.264 645 T C 0.643 175.360 174.700 0.029 0.000 1.042 645 T CA 0.642 62.758 62.100 0.026 0.000 1.140 645 T CB -0.289 68.587 68.868 0.013 0.000 0.870 645 T HN 0.643 nan 8.240 nan 0.000 0.445 646 D N 1.690 122.105 120.400 0.025 0.000 2.531 646 D HA -0.085 4.557 4.640 0.003 0.000 0.239 646 D C 1.025 177.352 176.300 0.045 0.000 1.144 646 D CA 0.170 54.187 54.000 0.027 0.000 0.869 646 D CB 0.936 41.748 40.800 0.019 0.000 1.160 646 D HN 0.569 nan 8.370 nan 0.000 0.484 647 Q N 2.606 122.435 119.800 0.048 0.000 1.965 647 Q HA -0.162 4.180 4.340 0.003 0.000 0.200 647 Q C 1.609 177.660 176.000 0.086 0.000 0.981 647 Q CA 1.814 57.657 55.803 0.066 0.000 0.834 647 Q CB -0.091 28.682 28.738 0.059 0.000 0.900 647 Q HN 0.605 nan 8.270 nan 0.000 0.426 648 T N 0.793 115.397 114.554 0.083 0.000 2.649 648 T HA -0.197 4.155 4.350 0.003 0.000 0.268 648 T C 1.877 176.691 174.700 0.190 0.000 1.036 648 T CA 1.872 64.046 62.100 0.123 0.000 1.157 648 T CB -0.440 68.473 68.868 0.075 0.000 0.861 648 T HN 0.159 nan 8.240 nan 0.000 0.445 649 V N 1.158 121.136 119.914 0.107 0.000 2.323 649 V HA -0.150 3.972 4.120 0.003 0.000 0.244 649 V C 2.611 178.792 176.094 0.146 0.000 1.041 649 V CA 1.767 64.125 62.300 0.096 0.000 1.025 649 V CB -0.700 31.142 31.823 0.033 0.000 0.656 649 V HN 0.473 nan 8.190 nan 0.000 0.451 650 Q N -0.183 119.681 119.800 0.107 0.000 2.297 650 Q HA -0.267 4.075 4.340 0.003 0.000 0.208 650 Q C 2.112 178.175 176.000 0.105 0.000 0.981 650 Q CA 1.803 57.663 55.803 0.094 0.000 0.876 650 Q CB -0.017 28.770 28.738 0.082 0.000 0.921 650 Q HN 0.724 nan 8.270 nan 0.000 0.446 651 E N -1.106 119.164 120.200 0.116 0.000 2.107 651 E HA -0.165 4.187 4.350 0.003 0.000 0.191 651 E C 1.663 178.252 176.600 -0.018 0.000 0.982 651 E CA 0.981 57.401 56.400 0.034 0.000 0.809 651 E CB 0.045 29.736 29.700 -0.015 0.000 0.756 651 E HN 0.550 nan 8.360 nan 0.000 0.459 652 H N -0.171 118.917 119.070 0.030 0.000 2.436 652 H HA -0.012 4.545 4.556 0.002 0.000 0.294 652 H C 1.574 176.929 175.328 0.046 0.000 1.048 652 H CA 0.566 56.633 56.048 0.032 0.000 1.353 652 H CB 0.126 29.904 29.762 0.027 0.000 1.414 652 H HN 0.000 nan 8.280 nan 0.000 0.536 653 L N 0.050 121.371 121.223 0.163 0.000 2.456 653 L HA -0.039 4.303 4.340 0.003 0.000 0.224 653 L C 1.551 178.498 176.870 0.129 0.000 1.148 653 L CA 1.112 56.015 54.840 0.105 0.000 0.825 653 L CB -0.223 41.869 42.059 0.054 0.000 0.937 653 L HN 0.375 nan 8.230 nan 0.000 0.450 654 I N -2.059 118.596 120.570 0.143 0.000 3.172 654 I HA -0.076 4.096 4.170 0.003 0.000 0.278 654 I C 1.945 178.141 176.117 0.133 0.000 1.174 654 I CA 0.230 61.656 61.300 0.210 0.000 1.445 654 I CB -0.014 38.062 38.000 0.126 0.000 1.175 654 I HN 0.171 nan 8.210 nan 0.000 0.447 655 E N 1.381 121.607 120.200 0.044 0.000 2.153 655 E HA -0.259 4.093 4.350 0.003 0.000 0.194 655 E C 1.987 178.625 176.600 0.063 0.000 0.988 655 E CA 1.078 57.481 56.400 0.006 0.000 0.811 655 E CB 0.038 29.709 29.700 -0.048 0.000 0.746 655 E HN 0.350 nan 8.360 nan 0.000 0.466 656 K N 0.034 120.502 120.400 0.114 0.000 2.137 656 K HA -0.128 4.194 4.320 0.003 0.000 0.202 656 K C 2.065 178.790 176.600 0.209 0.000 1.052 656 K CA 0.344 56.711 56.287 0.134 0.000 0.961 656 K CB -0.068 32.505 32.500 0.122 0.000 0.741 656 K HN 0.002 nan 8.250 nan 0.000 0.452 657 Y N 1.815 122.160 120.300 0.076 0.000 1.979 657 Y HA -0.194 4.357 4.550 0.003 0.000 0.262 657 Y C 1.143 177.163 175.900 0.200 0.000 1.142 657 Y CA 1.501 59.673 58.100 0.120 0.000 1.096 657 Y CB -0.321 38.208 38.460 0.115 0.000 0.958 657 Y HN -0.020 nan 8.280 nan 0.000 0.484 658 M N 1.464 121.098 119.600 0.057 0.000 3.706 658 M HA 0.050 4.532 4.480 0.003 0.000 0.204 658 M C 0.814 177.113 176.300 -0.003 0.000 1.455 658 M CA 0.358 55.608 55.300 -0.082 0.000 1.659 658 M CB -0.331 32.154 32.600 -0.191 0.000 1.076 658 M HN 0.398 nan 8.290 nan 0.000 0.577 659 L N 1.103 122.372 121.223 0.077 0.000 2.388 659 L HA 0.119 4.461 4.340 0.003 0.000 0.209 659 L C 1.491 178.404 176.870 0.071 0.000 1.061 659 L CA 1.367 56.249 54.840 0.070 0.000 0.834 659 L CB -0.085 42.029 42.059 0.091 0.000 1.029 659 L HN 0.313 nan 8.230 nan 0.000 0.473 660 L N 0.432 121.717 121.223 0.104 0.000 2.044 660 L HA 0.027 4.369 4.340 0.003 0.000 0.205 660 L C -0.441 176.465 176.870 0.061 0.000 1.075 660 L CA 1.796 56.693 54.840 0.096 0.000 0.747 660 L CB -2.170 39.977 42.059 0.147 0.000 0.903 660 L HN 0.167 nan 8.230 nan 0.000 0.435 661 P HA -0.080 nan 4.420 nan 0.000 0.218 661 P C 0.898 178.233 177.300 0.058 0.000 1.149 661 P CA 1.135 64.227 63.100 -0.014 0.000 0.817 661 P CB -0.024 31.585 31.700 -0.152 0.000 0.785 662 N N -1.188 117.534 118.700 0.036 0.000 2.457 662 N HA -0.048 4.694 4.740 0.003 0.000 0.180 662 N C 1.625 177.218 175.510 0.139 0.000 1.050 662 N CA 0.701 53.803 53.050 0.087 0.000 0.906 662 N CB -0.369 38.123 38.487 0.010 0.000 0.968 662 N HN 0.326 nan 8.380 nan 0.000 0.445 663 Q N -0.223 119.637 119.800 0.099 0.000 2.062 663 Q HA 0.047 4.389 4.340 0.003 0.000 0.196 663 Q C 1.789 177.841 176.000 0.088 0.000 0.967 663 Q CA 0.951 56.804 55.803 0.082 0.000 0.832 663 Q CB 0.066 28.841 28.738 0.061 0.000 0.899 663 Q HN 0.129 nan 8.270 nan 0.000 0.442 664 V N 0.712 120.685 119.914 0.099 0.000 2.427 664 V HA -0.237 3.885 4.120 0.003 0.000 0.248 664 V C 1.840 178.002 176.094 0.114 0.000 1.051 664 V CA 1.510 63.862 62.300 0.088 0.000 1.048 664 V CB -0.761 31.115 31.823 0.089 0.000 0.666 664 V HN 0.578 nan 8.190 nan 0.000 0.456 665 W N 1.526 122.815 121.300 -0.018 0.000 2.353 665 W HA -0.191 4.470 4.660 0.003 0.000 0.319 665 W C 2.091 178.600 176.519 -0.017 0.000 1.207 665 W CA 2.091 59.424 57.345 -0.020 0.000 1.291 665 W CB -0.318 29.124 29.460 -0.029 0.000 1.159 665 W HN 0.331 nan 8.180 nan 0.000 0.478 666 D N -0.140 120.346 120.400 0.143 0.000 2.218 666 D HA -0.160 4.482 4.640 0.003 0.000 0.204 666 D C 2.272 178.540 176.300 -0.052 0.000 0.976 666 D CA 1.544 55.558 54.000 0.023 0.000 0.853 666 D CB -0.550 40.306 40.800 0.093 0.000 0.939 666 D HN 0.082 nan 8.370 nan 0.000 0.481 667 S N -0.122 115.561 115.700 -0.029 0.000 2.355 667 S HA -0.060 4.412 4.470 0.003 0.000 0.222 667 S C 2.048 176.594 174.600 -0.089 0.000 1.031 667 S CA 0.520 58.696 58.200 -0.041 0.000 0.993 667 S CB -0.085 63.109 63.200 -0.011 0.000 0.859 667 S HN 0.167 nan 8.310 nan 0.000 0.453 668 I N 1.400 121.885 120.570 -0.141 0.000 2.286 668 I HA -0.110 4.062 4.170 0.003 0.000 0.245 668 I C 2.131 178.098 176.117 -0.250 0.000 1.104 668 I CA 0.657 61.845 61.300 -0.188 0.000 1.397 668 I CB -0.338 37.529 38.000 -0.222 0.000 1.072 668 I HN 0.313 nan 8.210 nan 0.000 0.417 669 I N 0.808 121.159 120.570 -0.365 0.000 2.163 669 I HA -0.324 3.848 4.170 0.003 0.000 0.243 669 I C 2.641 178.652 176.117 -0.178 0.000 1.085 669 I CA 1.821 62.921 61.300 -0.332 0.000 1.347 669 I CB -1.151 36.622 38.000 -0.378 0.000 1.044 669 I HN 0.339 nan 8.210 nan 0.000 0.408 670 Q N 1.022 120.743 119.800 -0.131 0.000 2.046 670 Q HA -0.234 4.108 4.340 0.003 0.000 0.200 670 Q C 2.255 178.211 176.000 -0.073 0.000 0.975 670 Q CA 1.825 57.580 55.803 -0.080 0.000 0.836 670 Q CB -0.436 28.270 28.738 -0.053 0.000 0.896 670 Q HN 0.497 nan 8.270 nan 0.000 0.428 671 Q N -1.313 118.440 119.800 -0.079 0.000 2.234 671 Q HA -0.140 4.202 4.340 0.003 0.000 0.206 671 Q C 1.399 177.357 176.000 -0.069 0.000 0.980 671 Q CA 1.429 57.193 55.803 -0.065 0.000 0.869 671 Q CB -0.120 28.581 28.738 -0.062 0.000 0.912 671 Q HN 0.478 nan 8.270 nan 0.000 0.436 672 A N -0.904 121.861 122.820 -0.091 0.000 2.014 672 A HA -0.013 4.309 4.320 0.003 0.000 0.210 672 A C 2.046 179.585 177.584 -0.074 0.000 1.188 672 A CA 0.969 52.954 52.037 -0.087 0.000 0.731 672 A CB -0.521 18.410 19.000 -0.114 0.000 0.858 672 A HN 0.390 nan 8.150 nan 0.000 0.464 673 T N 0.421 114.928 114.554 -0.078 0.000 2.822 673 T HA -0.111 4.241 4.350 0.003 0.000 0.270 673 T C 0.627 175.300 174.700 -0.045 0.000 1.064 673 T CA 1.277 63.341 62.100 -0.060 0.000 1.131 673 T CB -0.480 68.353 68.868 -0.057 0.000 0.858 673 T HN 0.494 nan 8.240 nan 0.000 0.483 674 K N 2.472 122.846 120.400 -0.043 0.000 2.268 674 K HA 0.296 4.618 4.320 0.003 0.000 0.276 674 K C -0.265 176.315 176.600 -0.034 0.000 1.080 674 K CA -0.384 55.883 56.287 -0.034 0.000 0.910 674 K CB 0.683 33.166 32.500 -0.030 0.000 1.163 674 K HN 0.330 nan 8.250 nan 0.000 0.465 675 N N 1.589 120.271 118.700 -0.030 0.000 2.385 675 N HA -0.185 4.557 4.740 0.003 0.000 0.290 675 N C -0.417 175.071 175.510 -0.036 0.000 1.440 675 N CA 0.038 53.070 53.050 -0.029 0.000 0.633 675 N CB -0.298 38.173 38.487 -0.026 0.000 0.927 675 N HN 0.357 nan 8.380 nan 0.000 0.496 676 V N 1.692 121.585 119.914 -0.036 0.000 3.451 676 V HA 0.026 4.148 4.120 0.003 0.000 0.332 676 V C 1.102 177.172 176.094 -0.040 0.000 1.198 676 V CA 0.646 62.920 62.300 -0.043 0.000 1.317 676 V CB -0.211 31.588 31.823 -0.040 0.000 1.117 676 V HN 0.650 nan 8.190 nan 0.000 0.421 677 D N 0.325 120.704 120.400 -0.036 0.000 2.305 677 D HA 0.039 4.681 4.640 0.003 0.000 0.206 677 D C 1.925 178.204 176.300 -0.035 0.000 0.974 677 D CA 0.478 54.459 54.000 -0.032 0.000 0.871 677 D CB 0.330 41.114 40.800 -0.026 0.000 0.947 677 D HN 0.383 nan 8.370 nan 0.000 0.516 678 I N 1.099 121.644 120.570 -0.042 0.000 2.300 678 I HA -0.241 3.931 4.170 0.003 0.000 0.252 678 I C 1.862 177.951 176.117 -0.047 0.000 1.119 678 I CA 0.972 62.245 61.300 -0.045 0.000 1.384 678 I CB -0.356 37.609 38.000 -0.059 0.000 1.062 678 I HN 0.021 nan 8.210 nan 0.000 0.426 679 L N 0.257 121.449 121.223 -0.051 0.000 2.747 679 L HA -0.017 4.325 4.340 0.003 0.000 0.248 679 L C 1.527 178.377 176.870 -0.034 0.000 1.191 679 L CA 0.447 55.258 54.840 -0.049 0.000 1.003 679 L CB -0.700 41.325 42.059 -0.057 0.000 1.235 679 L HN 0.233 nan 8.230 nan 0.000 0.426 680 K N -0.241 120.141 120.400 -0.029 0.000 2.533 680 K HA 0.079 4.401 4.320 0.003 0.000 0.202 680 K C -0.019 176.571 176.600 -0.017 0.000 1.096 680 K CA -0.153 56.121 56.287 -0.022 0.000 1.056 680 K CB 0.786 33.273 32.500 -0.021 0.000 0.890 680 K HN 0.077 nan 8.250 nan 0.000 0.552 681 D N 1.098 121.487 120.400 -0.018 0.000 2.280 681 D HA 0.131 4.773 4.640 0.003 0.000 0.236 681 D C -1.993 174.302 176.300 -0.008 0.000 1.082 681 D CA -2.182 51.810 54.000 -0.013 0.000 0.834 681 D CB 1.948 42.739 40.800 -0.015 0.000 1.100 681 D HN -0.100 nan 8.370 nan 0.000 0.486 682 P HA -0.197 nan 4.420 nan 0.000 0.217 682 P C 0.921 178.224 177.300 0.005 0.000 1.148 682 P CA 1.142 64.243 63.100 0.002 0.000 0.834 682 P CB 0.460 32.162 31.700 0.003 0.000 0.783 683 E N -0.598 119.604 120.200 0.003 0.000 2.021 683 E HA -0.116 4.236 4.350 0.003 0.000 0.189 683 E C 1.805 178.409 176.600 0.006 0.000 0.980 683 E CA 2.075 58.479 56.400 0.006 0.000 0.803 683 E CB -1.343 28.359 29.700 0.003 0.000 0.766 683 E HN 0.183 nan 8.360 nan 0.000 0.449 684 T N -0.989 113.563 114.554 -0.003 0.000 2.977 684 T HA -0.101 4.251 4.350 0.003 0.000 0.271 684 T C 1.888 176.584 174.700 -0.008 0.000 1.105 684 T CA 1.039 63.132 62.100 -0.010 0.000 1.116 684 T CB -0.312 68.540 68.868 -0.027 0.000 0.878 684 T HN 0.079 nan 8.240 nan 0.000 0.509 685 V N 0.946 120.859 119.914 -0.002 0.000 2.649 685 V HA 0.106 4.228 4.120 0.003 0.000 0.248 685 V C 2.517 178.627 176.094 0.027 0.000 1.054 685 V CA 1.365 63.670 62.300 0.007 0.000 1.073 685 V CB -0.329 31.496 31.823 0.003 0.000 0.699 685 V HN 0.455 nan 8.190 nan 0.000 0.463 686 K N -0.535 119.882 120.400 0.027 0.000 2.097 686 K HA -0.244 4.078 4.320 0.003 0.000 0.205 686 K C 2.165 178.798 176.600 0.054 0.000 1.050 686 K CA 1.941 58.252 56.287 0.039 0.000 0.938 686 K CB -0.052 32.468 32.500 0.033 0.000 0.718 686 K HN 0.453 nan 8.250 nan 0.000 0.442 687 Q N 0.946 120.775 119.800 0.048 0.000 2.079 687 Q HA -0.003 4.339 4.340 0.003 0.000 0.200 687 Q C 2.025 178.079 176.000 0.090 0.000 0.974 687 Q CA 1.218 57.059 55.803 0.063 0.000 0.840 687 Q CB -0.085 28.681 28.738 0.047 0.000 0.898 687 Q HN 0.341 nan 8.270 nan 0.000 0.430 688 L N -1.026 120.249 121.223 0.087 0.000 2.079 688 L HA -0.129 4.213 4.340 0.003 0.000 0.210 688 L C 2.115 179.072 176.870 0.146 0.000 1.081 688 L CA 1.196 56.124 54.840 0.147 0.000 0.752 688 L CB -0.730 41.389 42.059 0.101 0.000 0.896 688 L HN 0.377 nan 8.230 nan 0.000 0.433 689 G N -1.651 107.208 108.800 0.098 0.000 2.443 689 G HA2 -0.229 3.733 3.960 0.003 0.000 0.219 689 G HA3 -0.229 3.733 3.960 0.003 0.000 0.219 689 G C 1.787 176.721 174.900 0.056 0.000 1.131 689 G CA 0.915 46.059 45.100 0.075 0.000 0.775 689 G HN 0.341 nan 8.290 nan 0.000 0.547 690 S N -0.271 115.482 115.700 0.089 0.000 2.425 690 S HA 0.089 4.561 4.470 0.003 0.000 0.225 690 S C 2.329 176.964 174.600 0.058 0.000 1.024 690 S CA 0.269 58.550 58.200 0.135 0.000 0.951 690 S CB -0.166 63.141 63.200 0.177 0.000 0.796 690 S HN 0.356 nan 8.310 nan 0.000 0.498 691 I N 0.998 121.601 120.570 0.056 0.000 2.202 691 I HA -0.128 4.044 4.170 0.003 0.000 0.242 691 I C 2.020 178.077 176.117 -0.101 0.000 1.091 691 I CA 0.760 62.061 61.300 0.002 0.000 1.368 691 I CB -0.342 37.736 38.000 0.130 0.000 1.058 691 I HN 0.281 nan 8.210 nan 0.000 0.410 692 L N 0.923 122.114 121.223 -0.053 0.000 2.017 692 L HA -0.213 4.129 4.340 0.003 0.000 0.208 692 L C 2.413 179.181 176.870 -0.169 0.000 1.073 692 L CA 1.768 56.546 54.840 -0.103 0.000 0.745 692 L CB -0.928 41.120 42.059 -0.017 0.000 0.894 692 L HN 0.159 nan 8.230 nan 0.000 0.432 693 K N -1.405 118.869 120.400 -0.211 0.000 2.360 693 K HA -0.146 4.176 4.320 0.003 0.000 0.201 693 K C 1.714 178.006 176.600 -0.513 0.000 1.046 693 K CA 1.427 57.507 56.287 -0.345 0.000 0.945 693 K CB 0.072 32.332 32.500 -0.401 0.000 0.750 693 K HN 0.331 nan 8.250 nan 0.000 0.464 694 T N 0.202 114.477 114.554 -0.465 0.000 2.852 694 T HA -0.011 4.341 4.350 0.003 0.000 0.256 694 T C 1.272 175.791 174.700 -0.302 0.000 1.038 694 T CA 1.221 63.091 62.100 -0.384 0.000 1.141 694 T CB -0.221 68.425 68.868 -0.371 0.000 0.869 694 T HN 0.337 nan 8.240 nan 0.000 0.439 695 N N 1.004 119.553 118.700 -0.252 0.000 2.205 695 N HA -0.083 4.659 4.740 0.003 0.000 0.186 695 N C 1.700 177.043 175.510 -0.279 0.000 1.015 695 N CA 0.693 53.649 53.050 -0.156 0.000 0.862 695 N CB -0.422 38.023 38.487 -0.070 0.000 0.986 695 N HN 0.118 nan 8.380 nan 0.000 0.429 696 V N 0.856 120.628 119.914 -0.238 0.000 2.515 696 V HA -0.156 3.966 4.120 0.003 0.000 0.250 696 V C 2.269 178.216 176.094 -0.245 0.000 1.058 696 V CA 1.406 63.573 62.300 -0.222 0.000 1.064 696 V CB -0.321 31.408 31.823 -0.158 0.000 0.675 696 V HN 0.297 nan 8.190 nan 0.000 0.461 697 R N 0.354 120.716 120.500 -0.230 0.000 2.055 697 R HA 0.082 4.424 4.340 0.003 0.000 0.226 697 R C 2.470 178.631 176.300 -0.231 0.000 1.135 697 R CA 1.504 57.496 56.100 -0.179 0.000 0.959 697 R CB -1.294 28.951 30.300 -0.093 0.000 0.854 697 R HN 0.483 nan 8.270 nan 0.000 0.431 698 A N 0.789 123.467 122.820 -0.236 0.000 1.917 698 A HA -0.237 4.085 4.320 0.003 0.000 0.219 698 A C 2.601 179.898 177.584 -0.478 0.000 1.182 698 A CA 1.902 53.832 52.037 -0.179 0.000 0.633 698 A CB -1.173 17.779 19.000 -0.080 0.000 0.819 698 A HN 0.528 nan 8.150 nan 0.000 0.448 699 C N -0.258 118.433 119.300 -1.015 0.000 2.435 699 C HA -0.015 4.447 4.460 0.003 0.000 0.279 699 C C 2.516 177.268 174.990 -0.396 0.000 1.321 699 C CA 1.482 59.852 59.018 -1.080 0.000 1.752 699 C CB -1.014 26.064 27.740 -1.102 0.000 1.959 699 C HN 0.574 nan 8.230 nan 0.000 0.500 700 K N 0.217 120.437 120.400 -0.300 0.000 2.574 700 K HA 0.016 4.338 4.320 0.003 0.000 0.193 700 K C 1.466 178.005 176.600 -0.102 0.000 1.035 700 K CA 1.160 57.355 56.287 -0.154 0.000 0.982 700 K CB -0.052 32.374 32.500 -0.123 0.000 0.795 700 K HN 0.657 nan 8.250 nan 0.000 0.491 701 A N -0.547 122.171 122.820 -0.170 0.000 1.989 701 A HA 0.075 4.397 4.320 0.003 0.000 0.201 701 A C 1.941 179.525 177.584 -0.000 0.000 1.720 701 A CA 0.080 52.031 52.037 -0.144 0.000 0.956 701 A CB -0.151 18.470 19.000 -0.631 0.000 1.094 701 A HN 0.019 nan 8.150 nan 0.000 0.561 702 V N 0.256 120.166 119.914 -0.007 0.000 2.332 702 V HA 0.147 4.269 4.120 0.003 0.000 0.248 702 V C 1.921 178.096 176.094 0.134 0.000 1.055 702 V CA 1.813 64.178 62.300 0.109 0.000 1.038 702 V CB -1.692 30.285 31.823 0.258 0.000 0.651 702 V HN 1.432 nan 8.190 nan 0.000 0.450 703 G N -1.276 107.592 108.800 0.113 0.000 2.481 703 G HA2 -0.334 3.628 3.960 0.003 0.000 0.230 703 G HA3 -0.334 3.628 3.960 0.003 0.000 0.230 703 G C 0.762 175.804 174.900 0.238 0.000 1.210 703 G CA 0.438 45.609 45.100 0.120 0.000 0.936 703 G HN 0.359 nan 8.290 nan 0.000 0.583 704 H N 2.425 121.550 119.070 0.091 0.000 2.319 704 H HA -0.045 4.512 4.556 0.003 0.000 0.299 704 H C 0.101 175.628 175.328 0.331 0.000 1.092 704 H CA 2.426 58.565 56.048 0.151 0.000 1.302 704 H CB -0.936 28.830 29.762 0.007 0.000 1.373 704 H HN 0.254 nan 8.280 nan 0.000 0.497 705 P HA -0.124 nan 4.420 nan 0.000 0.229 705 P C 1.125 178.542 177.300 0.195 0.000 1.150 705 P CA 0.761 64.019 63.100 0.264 0.000 0.765 705 P CB -0.722 31.106 31.700 0.213 0.000 0.783 706 F N -0.344 119.670 119.950 0.107 0.000 2.604 706 F HA -0.074 4.456 4.527 0.004 0.000 0.298 706 F C 2.008 177.708 175.800 -0.166 0.000 1.131 706 F CA 0.362 58.373 58.000 0.020 0.000 1.457 706 F CB -0.304 38.737 39.000 0.068 0.000 1.095 706 F HN -0.257 nan 8.300 nan 0.000 0.574 707 V N 1.134 120.962 119.914 -0.144 0.000 2.380 707 V HA -0.310 3.812 4.120 0.003 0.000 0.251 707 V C 2.259 178.103 176.094 -0.417 0.000 1.063 707 V CA 2.362 64.345 62.300 -0.528 0.000 1.055 707 V CB -0.519 31.131 31.823 -0.288 0.000 0.657 707 V HN 0.542 nan 8.190 nan 0.000 0.455 708 I N -0.240 120.164 120.570 -0.277 0.000 2.315 708 I HA -0.301 3.871 4.170 0.003 0.000 0.251 708 I C 2.346 178.256 176.117 -0.346 0.000 1.125 708 I CA 2.422 63.579 61.300 -0.238 0.000 1.392 708 I CB -0.051 37.849 38.000 -0.166 0.000 1.065 708 I HN 0.540 nan 8.210 nan 0.000 0.424 709 Q N 0.787 120.235 119.800 -0.585 0.000 2.008 709 Q HA -0.195 4.147 4.340 0.003 0.000 0.196 709 Q C 2.059 177.707 176.000 -0.586 0.000 0.973 709 Q CA 1.847 57.226 55.803 -0.707 0.000 0.826 709 Q CB -0.598 27.362 28.738 -1.297 0.000 0.894 709 Q HN 0.496 nan 8.270 nan 0.000 0.439 710 L N 0.292 121.116 121.223 -0.665 0.000 2.043 710 L HA -0.018 4.324 4.340 0.003 0.000 0.212 710 L C 2.039 178.808 176.870 -0.168 0.000 1.075 710 L CA 2.563 57.175 54.840 -0.380 0.000 0.752 710 L CB -1.156 40.563 42.059 -0.566 0.000 0.891 710 L HN 0.384 nan 8.230 nan 0.000 0.432 711 G N -1.169 107.524 108.800 -0.179 0.000 2.471 711 G HA2 -0.264 3.698 3.960 0.003 0.000 0.219 711 G HA3 -0.264 3.698 3.960 0.003 0.000 0.219 711 G C 1.752 176.596 174.900 -0.094 0.000 1.125 711 G CA 0.671 45.715 45.100 -0.092 0.000 0.775 711 G HN 0.480 nan 8.290 nan 0.000 0.548 712 R N 0.661 121.080 120.500 -0.135 0.000 2.062 712 R HA 0.073 4.415 4.340 0.003 0.000 0.229 712 R C 2.414 178.689 176.300 -0.042 0.000 1.128 712 R CA 1.514 57.553 56.100 -0.103 0.000 0.960 712 R CB -0.347 29.862 30.300 -0.151 0.000 0.855 712 R HN 0.489 nan 8.270 nan 0.000 0.432 713 I N -2.071 118.444 120.570 -0.091 0.000 3.860 713 I HA 0.068 4.240 4.170 0.003 0.000 0.319 713 I C 1.491 177.661 176.117 0.089 0.000 1.279 713 I CA -0.050 61.226 61.300 -0.041 0.000 1.220 713 I CB -0.268 37.417 38.000 -0.525 0.000 1.027 713 I HN 0.041 nan 8.210 nan 0.000 0.428 714 Y N 2.624 122.889 120.300 -0.059 0.000 1.977 714 Y HA -0.313 4.239 4.550 0.003 0.000 0.264 714 Y C 2.286 178.210 175.900 0.039 0.000 1.167 714 Y CA 2.567 60.659 58.100 -0.012 0.000 1.102 714 Y CB -0.566 37.884 38.460 -0.017 0.000 0.948 714 Y HN 0.152 nan 8.280 nan 0.000 0.489 715 L N -0.472 120.799 121.223 0.079 0.000 2.079 715 L HA -0.269 4.073 4.340 0.003 0.000 0.210 715 L C 2.117 179.007 176.870 0.034 0.000 1.081 715 L CA 1.629 56.472 54.840 0.005 0.000 0.752 715 L CB -0.685 41.397 42.059 0.038 0.000 0.896 715 L HN 0.296 nan 8.230 nan 0.000 0.433 716 D N -0.278 120.201 120.400 0.131 0.000 2.123 716 D HA -0.194 4.448 4.640 0.003 0.000 0.200 716 D C 2.185 178.653 176.300 0.280 0.000 0.976 716 D CA 1.130 55.250 54.000 0.200 0.000 0.831 716 D CB -0.074 40.934 40.800 0.346 0.000 0.974 716 D HN 0.289 nan 8.370 nan 0.000 0.469 717 M N 0.298 120.119 119.600 0.369 0.000 2.149 717 M HA -0.154 4.328 4.480 0.003 0.000 0.261 717 M C 1.812 178.196 176.300 0.139 0.000 1.064 717 M CA 1.228 56.735 55.300 0.347 0.000 1.102 717 M CB 0.093 32.745 32.600 0.087 0.000 1.369 717 M HN -0.020 nan 8.290 nan 0.000 0.408 718 L N -0.456 120.754 121.223 -0.021 0.000 2.127 718 L HA -0.132 4.210 4.340 0.003 0.000 0.203 718 L C 1.839 178.757 176.870 0.081 0.000 1.080 718 L CA 1.130 55.955 54.840 -0.025 0.000 0.768 718 L CB -0.748 41.196 42.059 -0.192 0.000 0.924 718 L HN 0.334 nan 8.230 nan 0.000 0.444 719 N N -0.652 118.075 118.700 0.045 0.000 2.272 719 N HA -0.202 4.540 4.740 0.003 0.000 0.185 719 N C 1.692 177.224 175.510 0.036 0.000 1.014 719 N CA 1.093 54.165 53.050 0.036 0.000 0.870 719 N CB 0.086 38.582 38.487 0.014 0.000 0.975 719 N HN 0.146 nan 8.380 nan 0.000 0.433 720 V N -0.630 119.321 119.914 0.061 0.000 2.500 720 V HA -0.107 4.015 4.120 0.003 0.000 0.243 720 V C 1.687 177.827 176.094 0.078 0.000 1.039 720 V CA 0.939 63.261 62.300 0.036 0.000 1.053 720 V CB -0.560 31.265 31.823 0.003 0.000 0.695 720 V HN 0.355 nan 8.190 nan 0.000 0.463 721 Y N 1.711 122.026 120.300 0.024 0.000 2.151 721 Y HA -0.301 4.251 4.550 0.003 0.000 0.284 721 Y C 2.526 178.438 175.900 0.020 0.000 1.166 721 Y CA 2.753 60.869 58.100 0.027 0.000 1.163 721 Y CB -0.258 38.215 38.460 0.022 0.000 0.974 721 Y HN 0.326 nan 8.280 nan 0.000 0.511 722 K N -0.600 119.823 120.400 0.037 0.000 2.025 722 K HA -0.215 4.107 4.320 0.003 0.000 0.207 722 K C 2.391 178.937 176.600 -0.090 0.000 1.049 722 K CA 1.522 57.781 56.287 -0.045 0.000 0.933 722 K CB -0.805 31.727 32.500 0.053 0.000 0.714 722 K HN 0.496 nan 8.250 nan 0.000 0.438 723 C N 0.904 120.173 119.300 -0.051 0.000 2.419 723 C HA 0.038 4.500 4.460 0.003 0.000 0.283 723 C C 2.221 177.168 174.990 -0.073 0.000 1.373 723 C CA 0.323 59.309 59.018 -0.053 0.000 1.781 723 C CB -0.974 26.742 27.740 -0.040 0.000 1.886 723 C HN 0.473 nan 8.230 nan 0.000 0.520 724 L N -0.402 120.758 121.223 -0.105 0.000 2.145 724 L HA 0.022 4.364 4.340 0.003 0.000 0.201 724 L C 2.827 179.612 176.870 -0.142 0.000 1.075 724 L CA 1.343 56.120 54.840 -0.106 0.000 0.773 724 L CB -1.084 40.922 42.059 -0.088 0.000 0.936 724 L HN 0.206 nan 8.230 nan 0.000 0.451 725 S N -0.182 115.365 115.700 -0.254 0.000 2.440 725 S HA -0.188 4.284 4.470 0.003 0.000 0.238 725 S C 1.728 176.253 174.600 -0.125 0.000 1.010 725 S CA 1.363 59.420 58.200 -0.239 0.000 0.972 725 S CB -0.088 62.870 63.200 -0.402 0.000 0.774 725 S HN 0.393 nan 8.310 nan 0.000 0.501 726 E N 0.676 120.813 120.200 -0.105 0.000 2.051 726 E HA -0.062 4.290 4.350 0.003 0.000 0.189 726 E C 1.854 178.425 176.600 -0.050 0.000 0.979 726 E CA 1.189 57.551 56.400 -0.063 0.000 0.803 726 E CB -0.303 29.366 29.700 -0.051 0.000 0.761 726 E HN 0.652 nan 8.360 nan 0.000 0.451 727 N N 0.755 119.424 118.700 -0.052 0.000 2.289 727 N HA -0.116 4.626 4.740 0.003 0.000 0.184 727 N C 1.836 177.327 175.510 -0.032 0.000 1.016 727 N CA 0.628 53.655 53.050 -0.038 0.000 0.872 727 N CB -0.010 38.455 38.487 -0.037 0.000 0.973 727 N HN 0.128 nan 8.380 nan 0.000 0.433 728 I N -0.244 120.303 120.570 -0.039 0.000 2.193 728 I HA -0.215 3.957 4.170 0.003 0.000 0.240 728 I C 2.540 178.646 176.117 -0.019 0.000 1.084 728 I CA 0.682 61.967 61.300 -0.025 0.000 1.365 728 I CB -0.508 37.477 38.000 -0.026 0.000 1.064 728 I HN 0.134 nan 8.210 nan 0.000 0.410 729 S N 0.997 116.682 115.700 -0.026 0.000 2.359 729 S HA -0.271 4.201 4.470 0.003 0.000 0.223 729 S C 2.243 176.832 174.600 -0.020 0.000 1.039 729 S CA 1.853 60.039 58.200 -0.022 0.000 1.042 729 S CB -0.339 62.842 63.200 -0.030 0.000 0.915 729 S HN 0.474 nan 8.310 nan 0.000 0.439 730 A N 1.120 123.927 122.820 -0.022 0.000 1.940 730 A HA 0.131 4.453 4.320 0.003 0.000 0.219 730 A C 2.434 180.009 177.584 -0.015 0.000 1.176 730 A CA 2.033 54.059 52.037 -0.019 0.000 0.631 730 A CB -1.280 17.708 19.000 -0.020 0.000 0.814 730 A HN 0.820 nan 8.150 nan 0.000 0.446 731 A N -0.355 122.456 122.820 -0.014 0.000 1.929 731 A HA 0.050 4.372 4.320 0.003 0.000 0.216 731 A C 1.977 179.557 177.584 -0.007 0.000 1.176 731 A CA 1.317 53.347 52.037 -0.010 0.000 0.628 731 A CB -0.366 18.628 19.000 -0.009 0.000 0.816 731 A HN 0.400 nan 8.150 nan 0.000 0.444 732 I N 0.111 120.677 120.570 -0.006 0.000 2.252 732 I HA -0.235 3.937 4.170 0.003 0.000 0.245 732 I C 2.537 178.651 176.117 -0.004 0.000 1.102 732 I CA 1.338 62.637 61.300 -0.002 0.000 1.385 732 I CB -1.522 36.479 38.000 0.002 0.000 1.064 732 I HN 0.493 nan 8.210 nan 0.000 0.414 733 Q N 0.828 120.623 119.800 -0.008 0.000 1.916 733 Q HA -0.096 4.246 4.340 0.003 0.000 0.203 733 Q C 2.409 178.404 176.000 -0.009 0.000 0.983 733 Q CA 1.766 57.563 55.803 -0.010 0.000 0.846 733 Q CB -0.398 28.332 28.738 -0.013 0.000 0.909 733 Q HN 0.472 nan 8.270 nan 0.000 0.427 734 A N 0.943 123.757 122.820 -0.009 0.000 2.076 734 A HA -0.183 4.139 4.320 0.003 0.000 0.220 734 A C 1.725 179.305 177.584 -0.007 0.000 1.160 734 A CA 1.751 53.783 52.037 -0.009 0.000 0.653 734 A CB -0.257 18.737 19.000 -0.009 0.000 0.801 734 A HN 0.288 nan 8.150 nan 0.000 0.455 735 N N -1.667 117.030 118.700 -0.006 0.000 2.159 735 N HA 0.285 5.027 4.740 0.003 0.000 0.217 735 N C 0.544 176.052 175.510 -0.004 0.000 1.223 735 N CA 1.192 54.239 53.050 -0.005 0.000 0.896 735 N CB 0.880 39.364 38.487 -0.005 0.000 1.064 735 N HN 0.677 nan 8.380 nan 0.000 0.518 736 G N 1.438 110.236 108.800 -0.004 0.000 2.685 736 G HA2 -0.214 3.748 3.960 0.003 0.000 0.387 736 G HA3 -0.214 3.748 3.960 0.003 0.000 0.387 736 G C 0.222 175.122 174.900 -0.000 0.000 1.324 736 G CA 0.089 45.187 45.100 -0.003 0.000 0.878 736 G HN 0.366 nan 8.290 nan 0.000 0.527 737 E N -0.957 119.243 120.200 0.000 0.000 2.474 737 E HA 0.201 4.553 4.350 0.003 0.000 0.194 737 E C 1.858 178.459 176.600 0.002 0.000 1.041 737 E CA 0.303 56.705 56.400 0.003 0.000 0.874 737 E CB 0.038 29.739 29.700 0.003 0.000 0.914 737 E HN 0.337 nan 8.360 nan 0.000 0.498 738 M N 1.622 121.222 119.600 0.000 0.000 2.618 738 M HA 0.011 4.493 4.480 0.003 0.000 0.240 738 M C 1.879 178.180 176.300 0.002 0.000 1.123 738 M CA 0.514 55.814 55.300 0.000 0.000 1.060 738 M CB 0.368 32.967 32.600 -0.001 0.000 1.535 738 M HN 0.252 nan 8.290 nan 0.000 0.507 739 V N -4.009 115.907 119.914 0.003 0.000 3.306 739 V HA -0.000 4.122 4.120 0.003 0.000 0.264 739 V C 1.880 177.978 176.094 0.007 0.000 1.149 739 V CA 1.369 63.671 62.300 0.003 0.000 1.143 739 V CB -1.200 30.624 31.823 0.001 0.000 0.767 739 V HN 0.301 nan 8.190 nan 0.000 0.476 740 T N 0.079 114.639 114.554 0.009 0.000 3.113 740 T HA 0.035 4.387 4.350 0.003 0.000 0.263 740 T C 1.268 175.977 174.700 0.015 0.000 1.143 740 T CA 1.167 63.276 62.100 0.015 0.000 1.090 740 T CB -0.318 68.563 68.868 0.021 0.000 0.922 740 T HN 0.649 nan 8.240 nan 0.000 0.521 741 K N 1.277 121.683 120.400 0.010 0.000 2.537 741 K HA 0.189 4.511 4.320 0.003 0.000 0.206 741 K C 0.284 176.889 176.600 0.008 0.000 1.041 741 K CA -0.227 56.066 56.287 0.010 0.000 1.090 741 K CB 0.688 33.192 32.500 0.006 0.000 0.833 741 K HN 0.552 nan 8.250 nan 0.000 0.493 742 Q N -0.783 119.022 119.800 0.008 0.000 2.301 742 Q HA 0.349 4.691 4.340 0.003 0.000 0.267 742 Q C -2.432 173.574 176.000 0.009 0.000 1.035 742 Q CA -2.230 53.577 55.803 0.007 0.000 0.856 742 Q CB 1.623 30.364 28.738 0.005 0.000 1.337 742 Q HN -0.280 nan 8.270 nan 0.000 0.450 743 P HA -0.286 nan 4.420 nan 0.000 0.221 743 P C 1.368 178.674 177.300 0.010 0.000 1.160 743 P CA 1.245 64.350 63.100 0.010 0.000 0.933 743 P CB 0.042 31.746 31.700 0.008 0.000 0.793 744 L N -0.886 120.341 121.223 0.007 0.000 1.994 744 L HA -0.100 4.242 4.340 0.003 0.000 0.208 744 L C 1.969 178.844 176.870 0.007 0.000 1.071 744 L CA 1.908 56.751 54.840 0.006 0.000 0.745 744 L CB -1.335 40.724 42.059 0.001 0.000 0.892 744 L HN -0.103 nan 8.230 nan 0.000 0.431 745 I N -0.170 120.404 120.570 0.006 0.000 3.241 745 I HA -0.113 4.059 4.170 0.003 0.000 0.280 745 I C 2.135 178.261 176.117 0.015 0.000 1.320 745 I CA 0.659 61.964 61.300 0.008 0.000 1.413 745 I CB -1.352 36.651 38.000 0.007 0.000 1.060 745 I HN 0.355 nan 8.210 nan 0.000 0.500 746 R N 0.273 120.783 120.500 0.017 0.000 2.087 746 R HA 0.107 4.449 4.340 0.003 0.000 0.216 746 R C 2.320 178.636 176.300 0.027 0.000 1.114 746 R CA 0.741 56.855 56.100 0.023 0.000 1.002 746 R CB -0.516 29.796 30.300 0.021 0.000 0.903 746 R HN 0.234 nan 8.270 nan 0.000 0.445 747 S N 1.627 117.341 115.700 0.024 0.000 2.356 747 S HA -0.101 4.371 4.470 0.003 0.000 0.223 747 S C 2.065 176.685 174.600 0.032 0.000 1.032 747 S CA 1.445 59.663 58.200 0.029 0.000 1.005 747 S CB -0.163 63.052 63.200 0.025 0.000 0.867 747 S HN 0.243 nan 8.310 nan 0.000 0.449 748 M N 0.705 120.319 119.600 0.022 0.000 2.213 748 M HA -0.060 4.422 4.480 0.003 0.000 0.263 748 M C 2.334 178.652 176.300 0.029 0.000 1.062 748 M CA 1.174 56.485 55.300 0.018 0.000 1.105 748 M CB -0.365 32.235 32.600 -0.001 0.000 1.385 748 M HN 0.161 nan 8.290 nan 0.000 0.417 749 R N -0.045 120.475 120.500 0.032 0.000 2.189 749 R HA -0.080 4.262 4.340 0.003 0.000 0.223 749 R C 1.656 177.992 176.300 0.061 0.000 1.092 749 R CA 1.416 57.543 56.100 0.045 0.000 0.989 749 R CB -0.003 30.322 30.300 0.041 0.000 0.876 749 R HN 0.278 nan 8.270 nan 0.000 0.457 750 T N -0.264 114.323 114.554 0.056 0.000 2.894 750 T HA -0.009 4.343 4.350 0.003 0.000 0.258 750 T C 1.772 176.516 174.700 0.074 0.000 1.043 750 T CA 0.958 63.093 62.100 0.059 0.000 1.141 750 T CB 0.026 68.923 68.868 0.049 0.000 0.873 750 T HN -0.016 nan 8.240 nan 0.000 0.449 751 V N 1.816 121.779 119.914 0.081 0.000 2.324 751 V HA -0.229 3.893 4.120 0.003 0.000 0.250 751 V C 2.515 178.708 176.094 0.165 0.000 1.060 751 V CA 1.667 64.033 62.300 0.109 0.000 1.042 751 V CB -0.533 31.351 31.823 0.101 0.000 0.650 751 V HN 0.424 nan 8.190 nan 0.000 0.450 752 K N -0.394 120.113 120.400 0.179 0.000 2.009 752 K HA -0.222 4.100 4.320 0.003 0.000 0.210 752 K C 2.486 179.272 176.600 0.309 0.000 1.049 752 K CA 1.866 58.354 56.287 0.336 0.000 0.929 752 K CB -0.257 32.348 32.500 0.176 0.000 0.714 752 K HN 0.278 nan 8.250 nan 0.000 0.440 753 R N 0.764 121.367 120.500 0.172 0.000 2.081 753 R HA -0.132 4.210 4.340 0.003 0.000 0.235 753 R C 1.934 178.269 176.300 0.058 0.000 1.131 753 R CA 1.354 57.518 56.100 0.107 0.000 0.960 753 R CB 0.100 30.444 30.300 0.073 0.000 0.856 753 R HN 0.160 nan 8.270 nan 0.000 0.436 754 E N -0.221 120.011 120.200 0.054 0.000 2.072 754 E HA -0.129 4.223 4.350 0.003 0.000 0.191 754 E C 1.937 178.536 176.600 -0.002 0.000 0.985 754 E CA 1.582 57.990 56.400 0.014 0.000 0.801 754 E CB -0.406 29.298 29.700 0.007 0.000 0.750 754 E HN 0.334 nan 8.360 nan 0.000 0.452 755 T N 2.058 116.625 114.554 0.021 0.000 2.778 755 T HA -0.146 4.206 4.350 0.003 0.000 0.269 755 T C 2.044 176.689 174.700 -0.091 0.000 1.050 755 T CA 0.959 63.040 62.100 -0.032 0.000 1.137 755 T CB -0.184 68.662 68.868 -0.036 0.000 0.860 755 T HN 0.108 nan 8.240 nan 0.000 0.468 756 L N -0.012 121.156 121.223 -0.092 0.000 2.109 756 L HA 0.013 4.355 4.340 0.003 0.000 0.207 756 L C 2.634 179.479 176.870 -0.042 0.000 1.086 756 L CA 1.164 55.949 54.840 -0.091 0.000 0.760 756 L CB -0.381 41.636 42.059 -0.070 0.000 0.910 756 L HN 0.154 nan 8.230 nan 0.000 0.437 757 K N -0.139 120.243 120.400 -0.030 0.000 2.148 757 K HA -0.160 4.162 4.320 0.003 0.000 0.204 757 K C 2.005 178.587 176.600 -0.029 0.000 1.050 757 K CA 0.911 57.181 56.287 -0.028 0.000 0.942 757 K CB -0.100 32.382 32.500 -0.030 0.000 0.724 757 K HN 0.075 nan 8.250 nan 0.000 0.446 758 L N 1.545 122.750 121.223 -0.030 0.000 2.027 758 L HA -0.106 4.236 4.340 0.003 0.000 0.206 758 L C 1.824 178.719 176.870 0.042 0.000 1.074 758 L CA 1.525 56.353 54.840 -0.020 0.000 0.745 758 L CB -0.295 41.746 42.059 -0.030 0.000 0.898 758 L HN 0.097 nan 8.230 nan 0.000 0.433 759 I N -0.504 120.096 120.570 0.051 0.000 2.090 759 I HA -0.306 3.866 4.170 0.003 0.000 0.236 759 I C 2.635 178.811 176.117 0.099 0.000 1.064 759 I CA 1.586 62.952 61.300 0.110 0.000 1.324 759 I CB -0.747 37.318 38.000 0.108 0.000 1.044 759 I HN 0.452 nan 8.210 nan 0.000 0.399 760 S N 1.079 116.801 115.700 0.037 0.000 2.402 760 S HA -0.152 4.320 4.470 0.003 0.000 0.233 760 S C 2.067 176.665 174.600 -0.002 0.000 1.030 760 S CA 1.259 59.465 58.200 0.009 0.000 1.003 760 S CB -1.387 61.805 63.200 -0.014 0.000 0.813 760 S HN 0.529 nan 8.310 nan 0.000 0.477 761 G N 0.657 109.462 108.800 0.008 0.000 2.464 761 G HA2 -0.179 3.783 3.960 0.003 0.000 0.214 761 G HA3 -0.179 3.783 3.960 0.003 0.000 0.214 761 G C 1.063 175.963 174.900 -0.001 0.000 1.218 761 G CA 0.665 45.757 45.100 -0.013 0.000 0.794 761 G HN 0.642 nan 8.290 nan 0.000 0.542 762 W N 1.372 122.590 121.300 -0.138 0.000 2.318 762 W HA -0.192 4.470 4.660 0.003 0.000 0.313 762 W C 2.481 178.907 176.519 -0.156 0.000 1.221 762 W CA 2.369 59.622 57.345 -0.154 0.000 1.266 762 W CB -0.461 28.897 29.460 -0.170 0.000 1.150 762 W HN 0.052 nan 8.180 nan 0.000 0.496 763 V N 0.673 120.472 119.914 -0.192 0.000 2.392 763 V HA -0.357 3.765 4.120 0.003 0.000 0.249 763 V C 2.378 178.237 176.094 -0.391 0.000 1.059 763 V CA 2.251 64.291 62.300 -0.433 0.000 1.051 763 V CB -1.462 30.279 31.823 -0.136 0.000 0.658 763 V HN 0.222 nan 8.190 nan 0.000 0.455 764 S N -0.008 115.549 115.700 -0.238 0.000 2.402 764 S HA -0.189 4.283 4.470 0.003 0.000 0.233 764 S C 1.732 176.197 174.600 -0.225 0.000 1.030 764 S CA 1.528 59.615 58.200 -0.187 0.000 1.003 764 S CB -0.272 62.857 63.200 -0.119 0.000 0.813 764 S HN 0.646 nan 8.310 nan 0.000 0.477 765 R N 1.275 121.595 120.500 -0.300 0.000 2.546 765 R HA 0.210 4.552 4.340 0.003 0.000 0.320 765 R C 0.232 176.307 176.300 -0.374 0.000 1.021 765 R CA -0.098 55.844 56.100 -0.264 0.000 1.088 765 R CB 0.477 30.673 30.300 -0.174 0.000 1.278 765 R HN 0.333 nan 8.270 nan 0.000 0.557 766 S N 0.336 115.676 115.700 -0.600 0.000 2.603 766 S HA 0.154 4.626 4.470 0.003 0.000 0.268 766 S C 0.344 174.798 174.600 -0.244 0.000 1.317 766 S CA -0.594 57.231 58.200 -0.624 0.000 1.012 766 S CB 1.268 63.765 63.200 -1.172 0.000 0.926 766 S HN 0.245 nan 8.310 nan 0.000 0.539 767 N N 0.760 119.431 118.700 -0.048 0.000 2.646 767 N HA 0.155 4.897 4.740 0.003 0.000 0.303 767 N C -1.711 173.701 175.510 -0.163 0.000 1.921 767 N CA 0.065 53.007 53.050 -0.179 0.000 0.872 767 N CB 0.400 38.733 38.487 -0.256 0.000 1.327 767 N HN 0.774 nan 8.380 nan 0.000 0.492 768 D N 0.204 120.553 120.400 -0.085 0.000 3.361 768 D HA 0.200 4.842 4.640 0.003 0.000 0.246 768 D C -2.066 174.178 176.300 -0.092 0.000 1.395 768 D CA -0.853 53.118 54.000 -0.049 0.000 0.839 768 D CB 0.985 41.838 40.800 0.087 0.000 1.469 768 D HN 0.080 nan 8.370 nan 0.000 0.636 769 P HA -0.229 nan 4.420 nan 0.000 0.216 769 P C 1.477 178.568 177.300 -0.349 0.000 1.157 769 P CA 1.379 64.292 63.100 -0.312 0.000 0.880 769 P CB 0.319 31.737 31.700 -0.470 0.000 0.791 770 Q N -1.258 118.268 119.800 -0.457 0.000 2.061 770 Q HA -0.206 4.136 4.340 0.003 0.000 0.204 770 Q C 2.106 178.112 176.000 0.011 0.000 0.984 770 Q CA 1.708 57.404 55.803 -0.178 0.000 0.846 770 Q CB -0.598 28.133 28.738 -0.013 0.000 0.902 770 Q HN 0.078 nan 8.270 nan 0.000 0.421 771 M N 0.241 119.862 119.600 0.034 0.000 2.202 771 M HA -0.138 4.344 4.480 0.003 0.000 0.262 771 M C 1.847 178.266 176.300 0.199 0.000 1.063 771 M CA 1.232 56.601 55.300 0.114 0.000 1.097 771 M CB -0.298 32.391 32.600 0.149 0.000 1.382 771 M HN 0.215 nan 8.290 nan 0.000 0.413 772 V N 1.012 121.042 119.914 0.193 0.000 2.270 772 V HA -0.224 3.898 4.120 0.003 0.000 0.245 772 V C 2.782 179.018 176.094 0.238 0.000 1.043 772 V CA 1.914 64.390 62.300 0.293 0.000 1.014 772 V CB -1.665 30.232 31.823 0.123 0.000 0.645 772 V HN 0.611 nan 8.190 nan 0.000 0.447 773 A N -0.440 122.459 122.820 0.130 0.000 1.930 773 A HA -0.215 4.107 4.320 0.003 0.000 0.217 773 A C 2.165 179.816 177.584 0.111 0.000 1.175 773 A CA 1.770 53.880 52.037 0.122 0.000 0.627 773 A CB -0.423 18.654 19.000 0.127 0.000 0.815 773 A HN 0.647 nan 8.150 nan 0.000 0.443 774 E N -0.655 119.604 120.200 0.098 0.000 2.107 774 E HA -0.129 4.223 4.350 0.003 0.000 0.191 774 E C 1.496 178.106 176.600 0.018 0.000 0.982 774 E CA 1.373 57.809 56.400 0.059 0.000 0.809 774 E CB -0.122 29.609 29.700 0.052 0.000 0.756 774 E HN 0.773 nan 8.360 nan 0.000 0.459 775 N N -1.057 117.644 118.700 0.001 0.000 2.545 775 N HA 0.082 4.824 4.740 0.003 0.000 0.190 775 N C 1.103 176.435 175.510 -0.298 0.000 1.043 775 N CA 0.221 53.156 53.050 -0.192 0.000 0.879 775 N CB 0.230 38.509 38.487 -0.348 0.000 1.210 775 N HN -0.032 nan 8.380 nan 0.000 0.437 776 F N -0.019 119.898 119.950 -0.055 0.000 2.582 776 F HA 0.198 4.727 4.527 0.003 0.000 0.290 776 F C 1.906 177.783 175.800 0.128 0.000 1.115 776 F CA 0.095 58.035 58.000 -0.101 0.000 1.445 776 F CB 0.002 38.844 39.000 -0.265 0.000 1.126 776 F HN -0.169 nan 8.300 nan 0.000 0.574 777 V N 1.069 121.135 119.914 0.253 0.000 2.283 777 V HA -0.151 3.971 4.120 0.003 0.000 0.243 777 V C -0.391 175.795 176.094 0.153 0.000 1.039 777 V CA 1.781 64.196 62.300 0.192 0.000 1.016 777 V CB -1.619 30.285 31.823 0.134 0.000 0.650 777 V HN 0.115 nan 8.190 nan 0.000 0.449 778 P HA -0.147 nan 4.420 nan 0.000 0.216 778 P C -1.358 175.997 177.300 0.091 0.000 1.157 778 P CA 2.067 65.217 63.100 0.084 0.000 0.880 778 P CB -1.298 30.435 31.700 0.056 0.000 0.791 779 P HA -0.122 nan 4.420 nan 0.000 0.216 779 P C 1.522 178.865 177.300 0.072 0.000 1.150 779 P CA 1.202 64.357 63.100 0.091 0.000 0.837 779 P CB -0.558 31.220 31.700 0.130 0.000 0.786 780 L N -1.373 119.914 121.223 0.107 0.000 2.046 780 L HA -0.151 4.191 4.340 0.003 0.000 0.208 780 L C 2.505 179.426 176.870 0.084 0.000 1.077 780 L CA 1.063 55.950 54.840 0.079 0.000 0.747 780 L CB -1.104 41.017 42.059 0.104 0.000 0.896 780 L HN -0.039 nan 8.230 nan 0.000 0.432 781 L N 0.151 121.426 121.223 0.088 0.000 2.137 781 L HA -0.305 4.037 4.340 0.003 0.000 0.213 781 L C 2.125 179.048 176.870 0.088 0.000 1.085 781 L CA 1.983 56.874 54.840 0.085 0.000 0.760 781 L CB -0.129 41.974 42.059 0.073 0.000 0.893 781 L HN 0.410 nan 8.230 nan 0.000 0.434 782 D N -1.447 119.001 120.400 0.079 0.000 2.490 782 D HA -0.020 4.622 4.640 0.003 0.000 0.244 782 D C 1.914 178.268 176.300 0.091 0.000 0.979 782 D CA 1.002 55.048 54.000 0.076 0.000 0.924 782 D CB 0.135 40.969 40.800 0.057 0.000 1.075 782 D HN 0.215 nan 8.370 nan 0.000 0.488 783 A N -0.196 122.678 122.820 0.089 0.000 2.123 783 A HA 0.194 4.516 4.320 0.003 0.000 0.214 783 A C 1.965 179.678 177.584 0.215 0.000 1.152 783 A CA 1.083 53.191 52.037 0.120 0.000 0.728 783 A CB 0.074 19.121 19.000 0.077 0.000 0.814 783 A HN 0.227 nan 8.150 nan 0.000 0.464 784 V N -1.132 118.891 119.914 0.182 0.000 2.948 784 V HA 0.076 4.198 4.120 0.003 0.000 0.234 784 V C 2.247 178.494 176.094 0.255 0.000 1.205 784 V CA 0.646 63.095 62.300 0.247 0.000 1.234 784 V CB -0.556 31.300 31.823 0.054 0.000 1.020 784 V HN 0.435 nan 8.190 nan 0.000 0.491 785 L N -0.084 121.253 121.223 0.190 0.000 2.049 785 L HA -0.003 4.339 4.340 0.003 0.000 0.203 785 L C 2.376 179.392 176.870 0.244 0.000 1.074 785 L CA 1.644 56.620 54.840 0.227 0.000 0.749 785 L CB -0.447 41.716 42.059 0.174 0.000 0.907 785 L HN 0.223 nan 8.230 nan 0.000 0.439 786 I N 0.279 120.952 120.570 0.172 0.000 2.530 786 I HA -0.299 3.873 4.170 0.003 0.000 0.257 786 I C 1.911 178.102 176.117 0.122 0.000 1.179 786 I CA 1.547 62.927 61.300 0.133 0.000 1.440 786 I CB -0.313 37.746 38.000 0.098 0.000 1.087 786 I HN 0.368 nan 8.210 nan 0.000 0.440 787 D N -0.134 120.358 120.400 0.154 0.000 2.240 787 D HA -0.216 4.426 4.640 0.003 0.000 0.206 787 D C 2.104 178.493 176.300 0.150 0.000 0.963 787 D CA 0.352 54.427 54.000 0.125 0.000 0.863 787 D CB -0.031 40.846 40.800 0.129 0.000 0.973 787 D HN 0.318 nan 8.370 nan 0.000 0.501 788 Y N 0.866 121.229 120.300 0.105 0.000 2.483 788 Y HA -0.076 4.476 4.550 0.003 0.000 0.291 788 Y C 1.933 177.877 175.900 0.073 0.000 1.143 788 Y CA 1.410 59.574 58.100 0.105 0.000 1.289 788 Y CB -0.104 38.438 38.460 0.136 0.000 0.983 788 Y HN 0.053 nan 8.280 nan 0.000 0.556 789 Q N -0.246 119.531 119.800 -0.038 0.000 2.178 789 Q HA -0.033 4.309 4.340 0.003 0.000 0.195 789 Q C 2.247 178.183 176.000 -0.107 0.000 0.960 789 Q CA 0.526 56.254 55.803 -0.125 0.000 0.843 789 Q CB -0.014 28.729 28.738 0.009 0.000 0.927 789 Q HN 0.391 nan 8.270 nan 0.000 0.487 790 R N 0.806 121.282 120.500 -0.039 0.000 2.170 790 R HA -0.088 4.254 4.340 0.003 0.000 0.242 790 R C 0.173 176.438 176.300 -0.059 0.000 1.145 790 R CA 0.692 56.771 56.100 -0.036 0.000 0.984 790 R CB -0.495 29.799 30.300 -0.009 0.000 0.869 790 R HN 0.207 nan 8.270 nan 0.000 0.455 791 N N 0.977 119.631 118.700 -0.076 0.000 2.454 791 N HA -0.023 4.719 4.740 0.003 0.000 0.260 791 N C -0.491 174.957 175.510 -0.103 0.000 1.218 791 N CA 0.084 53.087 53.050 -0.079 0.000 0.904 791 N CB 0.835 39.282 38.487 -0.067 0.000 1.065 791 N HN -0.089 nan 8.380 nan 0.000 0.462 792 V N 5.308 125.181 119.914 -0.069 0.000 2.599 792 V HA 0.039 4.161 4.120 0.003 0.000 0.300 792 V C -1.316 174.734 176.094 -0.074 0.000 1.034 792 V CA -1.112 61.148 62.300 -0.066 0.000 1.115 792 V CB 0.862 32.664 31.823 -0.036 0.000 0.934 792 V HN 0.659 nan 8.190 nan 0.000 0.485 793 P HA -0.219 nan 4.420 nan 0.000 0.222 793 P C 0.817 178.115 177.300 -0.004 0.000 1.157 793 P CA 2.469 65.472 63.100 -0.162 0.000 0.905 793 P CB -0.044 31.548 31.700 -0.180 0.000 0.792 794 A N -1.950 120.919 122.820 0.081 0.000 2.426 794 A HA 0.449 4.771 4.320 0.003 0.000 0.247 794 A C 1.309 178.950 177.584 0.096 0.000 1.389 794 A CA 0.854 52.973 52.037 0.137 0.000 1.129 794 A CB -1.152 17.901 19.000 0.088 0.000 0.928 794 A HN 0.216 nan 8.150 nan 0.000 0.557 795 A N -0.739 122.135 122.820 0.090 0.000 2.726 795 A HA 0.258 4.580 4.320 0.003 0.000 0.192 795 A C 0.642 178.297 177.584 0.118 0.000 1.412 795 A CA -0.461 51.625 52.037 0.081 0.000 1.073 795 A CB 0.213 19.231 19.000 0.030 0.000 1.331 795 A HN 0.375 nan 8.150 nan 0.000 0.537 796 R N 2.039 122.619 120.500 0.133 0.000 2.399 796 R HA 0.191 4.533 4.340 0.003 0.000 0.324 796 R C -0.674 175.916 176.300 0.484 0.000 1.030 796 R CA -0.088 56.154 56.100 0.237 0.000 0.984 796 R CB 0.354 30.651 30.300 -0.005 0.000 0.961 796 R HN 0.231 nan 8.270 nan 0.000 0.433 797 E N 5.606 126.047 120.200 0.402 0.000 2.265 797 E HA 0.003 4.355 4.350 0.003 0.000 0.272 797 E C -1.417 175.288 176.600 0.175 0.000 1.067 797 E CA -1.865 54.693 56.400 0.264 0.000 0.900 797 E CB 1.087 30.917 29.700 0.216 0.000 1.017 797 E HN 0.411 nan 8.360 nan 0.000 0.431 798 P HA -0.111 nan 4.420 nan 0.000 0.223 798 P C 0.668 177.872 177.300 -0.159 0.000 1.151 798 P CA 0.716 63.629 63.100 -0.311 0.000 0.787 798 P CB 0.517 31.783 31.700 -0.723 0.000 0.788 799 E N -0.042 120.109 120.200 -0.082 0.000 2.396 799 E HA -0.075 4.277 4.350 0.003 0.000 0.200 799 E C 1.950 178.507 176.600 -0.071 0.000 1.023 799 E CA 0.610 56.978 56.400 -0.053 0.000 0.857 799 E CB -0.572 29.123 29.700 -0.008 0.000 0.775 799 E HN 0.197 nan 8.360 nan 0.000 0.525 800 V N 0.975 120.822 119.914 -0.112 0.000 2.548 800 V HA -0.204 3.918 4.120 0.003 0.000 0.249 800 V C 2.352 178.321 176.094 -0.208 0.000 1.055 800 V CA 1.073 63.267 62.300 -0.178 0.000 1.065 800 V CB -0.389 31.248 31.823 -0.311 0.000 0.681 800 V HN 0.220 nan 8.190 nan 0.000 0.462 801 L N 0.644 121.734 121.223 -0.223 0.000 2.044 801 L HA -0.123 4.219 4.340 0.003 0.000 0.205 801 L C 2.810 179.638 176.870 -0.070 0.000 1.075 801 L CA 1.777 56.536 54.840 -0.135 0.000 0.747 801 L CB -0.864 41.148 42.059 -0.078 0.000 0.903 801 L HN 0.537 nan 8.230 nan 0.000 0.435 802 S N -1.620 114.043 115.700 -0.062 0.000 2.348 802 S HA -0.251 4.221 4.470 0.003 0.000 0.221 802 S C 1.949 176.530 174.600 -0.033 0.000 1.033 802 S CA 1.826 60.005 58.200 -0.035 0.000 1.010 802 S CB -1.043 62.137 63.200 -0.033 0.000 0.891 802 S HN 0.356 nan 8.310 nan 0.000 0.442 803 T N 0.411 114.939 114.554 -0.043 0.000 3.228 803 T HA 0.160 4.512 4.350 0.003 0.000 0.261 803 T C 1.239 175.923 174.700 -0.026 0.000 1.171 803 T CA 0.699 62.778 62.100 -0.035 0.000 1.056 803 T CB -0.566 68.274 68.868 -0.046 0.000 0.938 803 T HN 0.242 nan 8.240 nan 0.000 0.539 804 M N -0.460 119.124 119.600 -0.027 0.000 2.800 804 M HA 0.441 4.923 4.480 0.003 0.000 0.257 804 M C 2.592 178.892 176.300 0.001 0.000 1.309 804 M CA 0.700 55.996 55.300 -0.008 0.000 1.202 804 M CB -1.128 31.468 32.600 -0.006 0.000 1.273 804 M HN 0.294 nan 8.290 nan 0.000 0.528 805 A N 0.525 123.347 122.820 0.003 0.000 1.972 805 A HA -0.090 4.232 4.320 0.003 0.000 0.219 805 A C 2.128 179.711 177.584 -0.002 0.000 1.169 805 A CA 1.219 53.266 52.037 0.016 0.000 0.635 805 A CB -0.848 18.168 19.000 0.026 0.000 0.810 805 A HN 0.450 nan 8.150 nan 0.000 0.446 806 I N -0.069 120.492 120.570 -0.015 0.000 2.315 806 I HA -0.215 3.957 4.170 0.003 0.000 0.248 806 I C 2.398 178.484 176.117 -0.053 0.000 1.117 806 I CA 1.707 62.987 61.300 -0.033 0.000 1.404 806 I CB -0.210 37.771 38.000 -0.032 0.000 1.071 806 I HN 0.596 nan 8.210 nan 0.000 0.419 807 I N -1.367 119.180 120.570 -0.038 0.000 3.059 807 I HA -0.066 4.106 4.170 0.003 0.000 0.270 807 I C 2.034 178.117 176.117 -0.056 0.000 1.238 807 I CA 0.806 62.081 61.300 -0.043 0.000 1.478 807 I CB 0.202 38.202 38.000 -0.001 0.000 1.097 807 I HN -0.130 nan 8.210 nan 0.000 0.455 808 V N 1.958 121.843 119.914 -0.049 0.000 2.331 808 V HA -0.135 3.987 4.120 0.003 0.000 0.242 808 V C 2.243 178.248 176.094 -0.148 0.000 1.034 808 V CA 1.684 63.947 62.300 -0.062 0.000 1.027 808 V CB -0.982 30.830 31.823 -0.017 0.000 0.667 808 V HN 0.452 nan 8.190 nan 0.000 0.457 809 N N 0.365 118.985 118.700 -0.133 0.000 2.258 809 N HA -0.218 4.524 4.740 0.003 0.000 0.187 809 N C 1.763 177.055 175.510 -0.364 0.000 1.012 809 N CA 1.557 54.450 53.050 -0.263 0.000 0.870 809 N CB -0.160 38.289 38.487 -0.062 0.000 0.977 809 N HN 0.392 nan 8.380 nan 0.000 0.434 810 K N 0.956 121.223 120.400 -0.221 0.000 2.056 810 K HA 0.169 4.491 4.320 0.003 0.000 0.205 810 K C 2.120 178.606 176.600 -0.191 0.000 1.035 810 K CA 0.520 56.688 56.287 -0.199 0.000 0.955 810 K CB -0.502 31.897 32.500 -0.169 0.000 0.769 810 K HN -0.015 nan 8.250 nan 0.000 0.447 811 L N -0.351 120.787 121.223 -0.143 0.000 1.976 811 L HA -0.017 4.325 4.340 0.003 0.000 0.209 811 L C 1.831 178.670 176.870 -0.053 0.000 1.071 811 L CA 1.380 56.167 54.840 -0.087 0.000 0.746 811 L CB -1.003 41.037 42.059 -0.031 0.000 0.890 811 L HN 0.660 nan 8.230 nan 0.000 0.432 812 G N -0.469 108.278 108.800 -0.089 0.000 2.595 812 G HA2 -0.375 3.587 3.960 0.003 0.000 0.297 812 G HA3 -0.375 3.587 3.960 0.003 0.000 0.297 812 G C 0.959 175.867 174.900 0.014 0.000 1.181 812 G CA 0.283 45.345 45.100 -0.063 0.000 0.963 812 G HN 0.460 nan 8.290 nan 0.000 0.541 813 G N -0.863 107.965 108.800 0.047 0.000 2.462 813 G HA2 -0.013 3.949 3.960 0.003 0.000 0.220 813 G HA3 -0.013 3.949 3.960 0.003 0.000 0.220 813 G C 1.289 176.155 174.900 -0.056 0.000 1.121 813 G CA 1.891 46.987 45.100 -0.006 0.000 0.758 813 G HN 0.880 nan 8.290 nan 0.000 0.559 814 H N -1.150 117.901 119.070 -0.030 0.000 2.555 814 H HA 0.306 4.864 4.556 0.003 0.000 0.269 814 H C 1.763 177.078 175.328 -0.021 0.000 0.988 814 H CA 0.364 56.400 56.048 -0.020 0.000 1.178 814 H CB 0.360 30.115 29.762 -0.012 0.000 1.373 814 H HN 0.384 nan 8.280 nan 0.000 0.588 815 I N -0.680 119.924 120.570 0.056 0.000 4.240 815 I HA -0.021 4.151 4.170 0.003 0.000 0.331 815 I C 1.011 177.101 176.117 -0.046 0.000 1.381 815 I CA 0.252 61.557 61.300 0.009 0.000 1.136 815 I CB 0.381 38.384 38.000 0.005 0.000 1.137 815 I HN 0.099 nan 8.210 nan 0.000 0.411 816 T N 1.323 115.842 114.554 -0.058 0.000 2.699 816 T HA -0.203 4.149 4.350 0.003 0.000 0.268 816 T C 1.859 176.496 174.700 -0.104 0.000 1.036 816 T CA 1.823 63.866 62.100 -0.096 0.000 1.147 816 T CB -0.160 68.659 68.868 -0.083 0.000 0.862 816 T HN 0.518 nan 8.240 nan 0.000 0.446 817 A N 0.811 123.586 122.820 -0.074 0.000 2.119 817 A HA 0.015 4.337 4.320 0.003 0.000 0.217 817 A C 1.978 179.526 177.584 -0.059 0.000 1.153 817 A CA 1.083 53.083 52.037 -0.062 0.000 0.692 817 A CB -0.229 18.744 19.000 -0.044 0.000 0.799 817 A HN 0.394 nan 8.150 nan 0.000 0.458 818 E N -0.420 119.744 120.200 -0.059 0.000 2.474 818 E HA 0.142 4.494 4.350 0.003 0.000 0.195 818 E C 1.430 177.974 176.600 -0.094 0.000 1.039 818 E CA -0.183 56.188 56.400 -0.048 0.000 0.881 818 E CB 0.068 29.760 29.700 -0.015 0.000 0.970 818 E HN 0.461 nan 8.360 nan 0.000 0.486 819 I N 1.320 121.785 120.570 -0.174 0.000 2.163 819 I HA -0.163 4.009 4.170 0.003 0.000 0.243 819 I C -0.795 175.122 176.117 -0.333 0.000 1.085 819 I CA 1.234 62.324 61.300 -0.351 0.000 1.347 819 I CB -1.984 35.721 38.000 -0.492 0.000 1.044 819 I HN 0.066 nan 8.210 nan 0.000 0.408 820 P HA -0.193 nan 4.420 nan 0.000 0.216 820 P C 1.677 178.983 177.300 0.010 0.000 1.153 820 P CA 1.594 64.657 63.100 -0.062 0.000 0.858 820 P CB -0.135 31.549 31.700 -0.027 0.000 0.789 821 Q N -1.206 118.595 119.800 0.001 0.000 2.167 821 Q HA -0.074 4.268 4.340 0.003 0.000 0.202 821 Q C 2.170 178.223 176.000 0.087 0.000 0.970 821 Q CA 0.994 56.825 55.803 0.046 0.000 0.855 821 Q CB -0.482 28.276 28.738 0.033 0.000 0.911 821 Q HN 0.331 nan 8.270 nan 0.000 0.438 822 I N -0.072 120.533 120.570 0.059 0.000 2.162 822 I HA -0.222 3.950 4.170 0.003 0.000 0.238 822 I C 1.926 178.247 176.117 0.341 0.000 1.076 822 I CA 0.923 62.307 61.300 0.141 0.000 1.353 822 I CB -0.322 37.710 38.000 0.054 0.000 1.063 822 I HN 0.092 nan 8.210 nan 0.000 0.408 823 F N 1.370 121.405 119.950 0.141 0.000 2.126 823 F HA -0.266 4.263 4.527 0.004 0.000 0.299 823 F C 2.360 178.290 175.800 0.216 0.000 1.096 823 F CA 1.536 59.664 58.000 0.212 0.000 1.255 823 F CB -1.356 37.694 39.000 0.084 0.000 0.997 823 F HN 0.218 nan 8.300 nan 0.000 0.479 824 D N -0.226 120.371 120.400 0.330 0.000 2.311 824 D HA -0.126 4.516 4.640 0.003 0.000 0.212 824 D C 1.839 178.267 176.300 0.213 0.000 0.972 824 D CA 1.178 55.311 54.000 0.221 0.000 0.887 824 D CB 0.037 40.925 40.800 0.146 0.000 0.915 824 D HN 0.211 nan 8.370 nan 0.000 0.497 825 A N -0.774 122.196 122.820 0.251 0.000 2.127 825 A HA 0.234 4.556 4.320 0.003 0.000 0.204 825 A C 1.731 179.486 177.584 0.286 0.000 1.243 825 A CA 0.680 52.852 52.037 0.226 0.000 0.887 825 A CB 0.480 19.601 19.000 0.203 0.000 0.933 825 A HN 0.329 nan 8.150 nan 0.000 0.479 826 V N -4.614 115.523 119.914 0.373 0.000 3.398 826 V HA 0.405 4.527 4.120 0.003 0.000 0.298 826 V C 1.334 177.695 176.094 0.445 0.000 1.496 826 V CA 0.352 62.926 62.300 0.457 0.000 1.044 826 V CB -0.683 31.410 31.823 0.450 0.000 0.880 826 V HN 0.258 nan 8.190 nan 0.000 0.443 827 F N 1.982 122.086 119.950 0.257 0.000 2.148 827 F HA 0.261 4.790 4.527 0.003 0.000 0.285 827 F C 2.290 178.164 175.800 0.123 0.000 1.092 827 F CA 2.066 60.197 58.000 0.217 0.000 1.218 827 F CB 0.291 39.301 39.000 0.016 0.000 1.059 827 F HN 0.177 nan 8.300 nan 0.000 0.490 828 E N -0.340 120.075 120.200 0.357 0.000 2.274 828 E HA -0.195 4.157 4.350 0.003 0.000 0.194 828 E C 2.236 178.816 176.600 -0.033 0.000 0.996 828 E CA 1.327 57.821 56.400 0.157 0.000 0.840 828 E CB -0.179 29.641 29.700 0.201 0.000 0.772 828 E HN 0.633 nan 8.360 nan 0.000 0.491 829 C N -1.443 117.849 119.300 -0.013 0.000 2.467 829 C HA 0.124 4.586 4.460 0.003 0.000 0.279 829 C C 2.583 177.456 174.990 -0.195 0.000 1.347 829 C CA 0.502 59.459 59.018 -0.102 0.000 1.748 829 C CB -0.854 26.834 27.740 -0.087 0.000 1.977 829 C HN 0.212 nan 8.230 nan 0.000 0.501 830 T N 1.695 116.155 114.554 -0.157 0.000 2.942 830 T HA -0.015 4.337 4.350 0.003 0.000 0.265 830 T C 1.615 176.006 174.700 -0.515 0.000 1.062 830 T CA 1.185 63.139 62.100 -0.242 0.000 1.139 830 T CB -0.317 68.549 68.868 -0.003 0.000 0.883 830 T HN 0.418 nan 8.240 nan 0.000 0.468 831 L N 1.695 122.544 121.223 -0.623 0.000 2.291 831 L HA 0.217 4.559 4.340 0.003 0.000 0.214 831 L C 1.461 178.069 176.870 -0.436 0.000 1.120 831 L CA 1.256 55.683 54.840 -0.688 0.000 0.799 831 L CB -0.628 40.994 42.059 -0.728 0.000 0.925 831 L HN 0.057 nan 8.230 nan 0.000 0.446 832 N N -0.944 117.554 118.700 -0.337 0.000 2.434 832 N HA 0.055 4.797 4.740 0.003 0.000 0.196 832 N C 1.102 176.442 175.510 -0.282 0.000 1.183 832 N CA 0.458 53.346 53.050 -0.269 0.000 0.849 832 N CB 0.177 38.545 38.487 -0.199 0.000 0.992 832 N HN 0.475 nan 8.380 nan 0.000 0.460 833 M N -0.924 118.467 119.600 -0.348 0.000 2.470 833 M HA 0.251 4.733 4.480 0.003 0.000 0.262 833 M C 1.421 177.589 176.300 -0.219 0.000 1.211 833 M CA 0.376 55.436 55.300 -0.401 0.000 1.125 833 M CB 0.609 32.764 32.600 -0.742 0.000 1.480 833 M HN 0.018 nan 8.290 nan 0.000 0.541 834 I N -1.881 118.573 120.570 -0.194 0.000 4.082 834 I HA 0.251 4.423 4.170 0.003 0.000 0.337 834 I C 0.635 176.820 176.117 0.114 0.000 1.352 834 I CA -0.075 61.235 61.300 0.017 0.000 1.097 834 I CB -0.156 37.849 38.000 0.009 0.000 1.048 834 I HN 0.152 nan 8.210 nan 0.000 0.393 835 N N 1.081 119.657 118.700 -0.206 0.000 2.235 835 N HA 0.072 4.814 4.740 0.003 0.000 0.209 835 N C 0.705 175.941 175.510 -0.456 0.000 1.122 835 N CA -0.184 52.508 53.050 -0.596 0.000 0.845 835 N CB 0.057 38.093 38.487 -0.752 0.000 1.004 835 N HN 0.366 nan 8.380 nan 0.000 0.499 836 K N -0.355 119.938 120.400 -0.178 0.000 2.358 836 K HA 0.134 4.456 4.320 0.003 0.000 0.200 836 K C -0.804 175.767 176.600 -0.049 0.000 1.030 836 K CA 0.092 56.304 56.287 -0.124 0.000 1.097 836 K CB 0.361 32.814 32.500 -0.078 0.000 0.862 836 K HN 0.403 nan 8.250 nan 0.000 0.534 837 D N -2.057 118.341 120.400 -0.003 0.000 3.235 837 D HA 0.027 4.669 4.640 0.003 0.000 0.360 837 D C -0.708 175.497 176.300 -0.158 0.000 1.465 837 D CA -0.700 53.278 54.000 -0.036 0.000 0.874 837 D CB -0.186 40.649 40.800 0.058 0.000 1.465 837 D HN -0.144 nan 8.370 nan 0.000 0.533 838 F N 0.156 120.205 119.950 0.164 0.000 2.841 838 F HA 0.464 4.993 4.527 0.003 0.000 0.358 838 F C 0.982 176.879 175.800 0.161 0.000 1.261 838 F CA -0.253 57.811 58.000 0.107 0.000 1.233 838 F CB 0.647 39.608 39.000 -0.067 0.000 1.008 838 F HN 0.285 nan 8.300 nan 0.000 0.507 839 E N -1.297 119.062 120.200 0.265 0.000 3.844 839 E HA 0.090 4.442 4.350 0.003 0.000 0.201 839 E C 0.146 176.828 176.600 0.137 0.000 1.278 839 E CA -0.372 56.135 56.400 0.178 0.000 1.565 839 E CB 0.273 30.049 29.700 0.127 0.000 1.543 839 E HN -0.042 nan 8.360 nan 0.000 0.584 840 E N 1.355 121.624 120.200 0.116 0.000 2.492 840 E HA -0.109 4.243 4.350 0.003 0.000 0.266 840 E C -0.589 176.111 176.600 0.166 0.000 1.047 840 E CA 0.582 57.014 56.400 0.052 0.000 0.968 840 E CB -0.097 29.660 29.700 0.094 0.000 0.960 840 E HN 0.258 nan 8.360 nan 0.000 0.452 841 Y N -1.593 118.733 120.300 0.043 0.000 2.983 841 Y HA -0.204 4.348 4.550 0.003 0.000 0.185 841 Y C -1.668 174.330 175.900 0.163 0.000 1.476 841 Y CA 0.168 58.328 58.100 0.100 0.000 0.866 841 Y CB -1.500 36.897 38.460 -0.105 0.000 1.331 841 Y HN 0.521 nan 8.280 nan 0.000 0.403 842 P HA -0.161 nan 4.420 nan 0.000 0.215 842 P C 1.388 178.763 177.300 0.125 0.000 1.157 842 P CA 1.861 65.042 63.100 0.136 0.000 0.863 842 P CB 0.242 31.992 31.700 0.083 0.000 0.787 843 E N -1.175 119.099 120.200 0.124 0.000 2.118 843 E HA -0.219 4.133 4.350 0.003 0.000 0.195 843 E C 2.021 178.616 176.600 -0.008 0.000 0.992 843 E CA 0.964 57.376 56.400 0.020 0.000 0.804 843 E CB -0.522 29.143 29.700 -0.058 0.000 0.741 843 E HN 0.525 nan 8.360 nan 0.000 0.458 844 H N 0.029 119.158 119.070 0.098 0.000 2.457 844 H HA -0.002 4.556 4.556 0.003 0.000 0.294 844 H C 2.195 177.515 175.328 -0.013 0.000 1.064 844 H CA 0.724 56.816 56.048 0.073 0.000 1.330 844 H CB 0.092 29.907 29.762 0.089 0.000 1.395 844 H HN 0.078 nan 8.280 nan 0.000 0.541 845 R N 0.278 120.833 120.500 0.091 0.000 2.061 845 R HA -0.085 4.257 4.340 0.003 0.000 0.230 845 R C 2.483 178.742 176.300 -0.068 0.000 1.140 845 R CA 1.953 58.011 56.100 -0.070 0.000 0.940 845 R CB -0.126 30.151 30.300 -0.039 0.000 0.839 845 R HN 0.199 nan 8.270 nan 0.000 0.429 846 T N 1.129 115.693 114.554 0.016 0.000 2.737 846 T HA -0.076 4.276 4.350 0.003 0.000 0.265 846 T C 1.485 176.225 174.700 0.066 0.000 1.038 846 T CA 1.279 63.414 62.100 0.059 0.000 1.144 846 T CB -0.318 68.574 68.868 0.041 0.000 0.866 846 T HN 0.232 nan 8.240 nan 0.000 0.434 847 N N 0.856 119.577 118.700 0.034 0.000 2.149 847 N HA -0.048 4.694 4.740 0.003 0.000 0.188 847 N C 1.516 177.051 175.510 0.042 0.000 1.019 847 N CA 0.839 53.902 53.050 0.022 0.000 0.857 847 N CB -0.573 37.900 38.487 -0.023 0.000 0.997 847 N HN 0.357 nan 8.380 nan 0.000 0.426 848 F N 0.752 120.622 119.950 -0.133 0.000 2.051 848 F HA -0.066 4.463 4.527 0.003 0.000 0.296 848 F C 1.930 177.688 175.800 -0.071 0.000 1.122 848 F CA 1.425 59.305 58.000 -0.200 0.000 1.201 848 F CB -0.516 38.207 39.000 -0.462 0.000 0.978 848 F HN -0.067 nan 8.300 nan 0.000 0.472 849 F N -0.231 119.849 119.950 0.217 0.000 2.502 849 F HA -0.105 4.424 4.527 0.003 0.000 0.298 849 F C 2.024 177.861 175.800 0.061 0.000 1.111 849 F CA 0.077 58.159 58.000 0.136 0.000 1.445 849 F CB -0.265 38.849 39.000 0.190 0.000 1.081 849 F HN 0.011 nan 8.300 nan 0.000 0.558 850 L N -0.610 120.729 121.223 0.193 0.000 2.109 850 L HA -0.180 4.162 4.340 0.003 0.000 0.207 850 L C 2.368 179.288 176.870 0.084 0.000 1.086 850 L CA 0.490 55.401 54.840 0.119 0.000 0.760 850 L CB -0.445 41.660 42.059 0.077 0.000 0.910 850 L HN 0.197 nan 8.230 nan 0.000 0.437 851 L N -0.412 120.828 121.223 0.029 0.000 2.093 851 L HA -0.171 4.171 4.340 0.003 0.000 0.208 851 L C 2.210 179.127 176.870 0.077 0.000 1.085 851 L CA 1.602 56.452 54.840 0.016 0.000 0.755 851 L CB -0.415 41.602 42.059 -0.071 0.000 0.904 851 L HN 0.075 nan 8.230 nan 0.000 0.435 852 L N -0.531 120.725 121.223 0.055 0.000 2.093 852 L HA -0.172 4.170 4.340 0.003 0.000 0.208 852 L C 2.617 179.635 176.870 0.246 0.000 1.085 852 L CA 1.768 56.727 54.840 0.198 0.000 0.755 852 L CB -0.701 41.502 42.059 0.241 0.000 0.904 852 L HN 0.518 nan 8.230 nan 0.000 0.435 853 Q N -1.220 118.694 119.800 0.191 0.000 2.119 853 Q HA -0.202 4.140 4.340 0.003 0.000 0.201 853 Q C 2.141 178.224 176.000 0.138 0.000 0.972 853 Q CA 1.513 57.409 55.803 0.155 0.000 0.847 853 Q CB -0.052 28.758 28.738 0.120 0.000 0.903 853 Q HN 0.590 nan 8.270 nan 0.000 0.433 854 A N -0.060 122.847 122.820 0.146 0.000 1.845 854 A HA -0.166 4.156 4.320 0.003 0.000 0.215 854 A C 2.192 179.879 177.584 0.172 0.000 1.195 854 A CA 1.775 53.920 52.037 0.179 0.000 0.616 854 A CB -0.957 18.121 19.000 0.129 0.000 0.832 854 A HN 0.294 nan 8.150 nan 0.000 0.443 855 V N 0.976 120.964 119.914 0.123 0.000 2.295 855 V HA -0.295 3.827 4.120 0.003 0.000 0.246 855 V C 2.417 178.464 176.094 -0.077 0.000 1.049 855 V CA 2.466 64.766 62.300 -0.001 0.000 1.024 855 V CB -1.352 30.473 31.823 0.003 0.000 0.648 855 V HN 0.823 nan 8.190 nan 0.000 0.447 856 N N 0.325 119.069 118.700 0.073 0.000 2.166 856 N HA -0.161 4.581 4.740 0.003 0.000 0.186 856 N C 1.719 177.329 175.510 0.167 0.000 1.019 856 N CA 1.795 54.978 53.050 0.221 0.000 0.856 856 N CB -0.148 38.611 38.487 0.455 0.000 0.993 856 N HN 0.383 nan 8.380 nan 0.000 0.426 857 S N -1.477 114.245 115.700 0.038 0.000 2.470 857 S HA 0.062 4.534 4.470 0.003 0.000 0.225 857 S C 0.947 175.369 174.600 -0.296 0.000 1.006 857 S CA 0.272 58.384 58.200 -0.147 0.000 0.934 857 S CB -0.128 62.928 63.200 -0.240 0.000 0.778 857 S HN 0.484 nan 8.310 nan 0.000 0.517 858 H N -0.661 118.422 119.070 0.021 0.000 2.247 858 H HA 0.263 4.821 4.556 0.004 0.000 0.267 858 H C 0.618 175.946 175.328 -0.000 0.000 0.952 858 H CA 0.310 56.360 56.048 0.004 0.000 1.250 858 H CB -0.256 29.501 29.762 -0.010 0.000 1.441 858 H HN 0.252 nan 8.280 nan 0.000 0.553 859 C N 3.098 122.447 119.300 0.082 0.000 2.439 859 C HA 0.086 4.548 4.460 0.003 0.000 0.411 859 C C 1.985 176.890 174.990 -0.142 0.000 1.337 859 C CA -0.588 58.404 59.018 -0.044 0.000 1.716 859 C CB -2.699 24.966 27.740 -0.125 0.000 2.332 859 C HN 0.366 nan 8.230 nan 0.000 0.594 860 F N 3.290 123.141 119.950 -0.166 0.000 2.171 860 F HA -0.014 4.515 4.527 0.003 0.000 0.300 860 F C -0.739 175.006 175.800 -0.091 0.000 1.090 860 F CA 1.180 59.090 58.000 -0.151 0.000 1.293 860 F CB -1.049 37.934 39.000 -0.028 0.000 1.013 860 F HN 0.231 nan 8.300 nan 0.000 0.486 861 P HA -0.100 nan 4.420 nan 0.000 0.234 861 P C 0.857 178.067 177.300 -0.149 0.000 1.162 861 P CA 1.501 64.556 63.100 -0.075 0.000 0.759 861 P CB -0.340 31.359 31.700 -0.001 0.000 0.813 862 A N -2.187 120.495 122.820 -0.231 0.000 2.132 862 A HA 0.090 4.412 4.320 0.003 0.000 0.213 862 A C 1.722 179.250 177.584 -0.094 0.000 1.154 862 A CA 0.281 52.195 52.037 -0.205 0.000 0.753 862 A CB -1.209 17.617 19.000 -0.291 0.000 0.826 862 A HN 0.158 nan 8.150 nan 0.000 0.469 863 F N -0.387 119.441 119.950 -0.204 0.000 2.615 863 F HA 0.083 4.612 4.527 0.004 0.000 0.297 863 F C 1.702 177.393 175.800 -0.180 0.000 1.124 863 F CA 0.157 58.084 58.000 -0.123 0.000 1.451 863 F CB 0.156 39.059 39.000 -0.162 0.000 1.103 863 F HN 0.155 nan 8.300 nan 0.000 0.569 864 L N -0.777 120.394 121.223 -0.086 0.000 2.249 864 L HA 0.104 4.446 4.340 0.003 0.000 0.207 864 L C 2.280 179.120 176.870 -0.049 0.000 1.090 864 L CA 0.436 55.205 54.840 -0.117 0.000 0.802 864 L CB -0.510 41.473 42.059 -0.127 0.000 0.947 864 L HN -0.050 nan 8.230 nan 0.000 0.453 865 A N 0.983 123.786 122.820 -0.028 0.000 2.276 865 A HA 0.258 4.580 4.320 0.003 0.000 0.212 865 A C 0.787 178.379 177.584 0.014 0.000 1.230 865 A CA -0.067 51.962 52.037 -0.013 0.000 0.844 865 A CB -0.807 18.178 19.000 -0.025 0.000 0.860 865 A HN 0.432 nan 8.150 nan 0.000 0.486 866 I N -3.929 116.666 120.570 0.042 0.000 2.569 866 I HA 0.588 4.760 4.170 0.003 0.000 0.296 866 I C -3.050 173.108 176.117 0.069 0.000 1.028 866 I CA -3.013 58.328 61.300 0.070 0.000 1.082 866 I CB 1.696 39.771 38.000 0.125 0.000 1.264 866 I HN -0.213 nan 8.210 nan 0.000 0.429 867 P HA 0.097 nan 4.420 nan 0.000 0.264 867 P C -2.161 175.198 177.300 0.099 0.000 1.179 867 P CA -0.596 62.541 63.100 0.062 0.000 0.763 867 P CB -0.105 31.630 31.700 0.058 0.000 0.806 868 P HA -0.139 nan 4.420 nan 0.000 0.229 868 P C 0.908 178.328 177.300 0.200 0.000 1.150 868 P CA 1.262 64.450 63.100 0.147 0.000 0.765 868 P CB -0.147 31.608 31.700 0.092 0.000 0.783 869 A N -0.603 122.299 122.820 0.136 0.000 1.975 869 A HA -0.131 4.191 4.320 0.003 0.000 0.215 869 A C 2.139 179.790 177.584 0.111 0.000 1.170 869 A CA 0.968 53.076 52.037 0.118 0.000 0.656 869 A CB -0.679 18.367 19.000 0.078 0.000 0.821 869 A HN 0.172 nan 8.150 nan 0.000 0.449 870 Q N -1.640 118.222 119.800 0.103 0.000 2.096 870 Q HA -0.027 4.315 4.340 0.003 0.000 0.197 870 Q C 1.868 177.889 176.000 0.035 0.000 0.964 870 Q CA 1.307 57.140 55.803 0.050 0.000 0.838 870 Q CB -0.318 28.445 28.738 0.041 0.000 0.906 870 Q HN 0.681 nan 8.270 nan 0.000 0.444 871 F N 2.362 122.286 119.950 -0.043 0.000 2.161 871 F HA -0.228 4.301 4.527 0.003 0.000 0.300 871 F C 2.223 177.983 175.800 -0.066 0.000 1.089 871 F CA 1.296 59.231 58.000 -0.108 0.000 1.282 871 F CB 0.107 39.074 39.000 -0.055 0.000 1.010 871 F HN -0.134 nan 8.300 nan 0.000 0.485 872 K N 0.545 121.061 120.400 0.192 0.000 2.097 872 K HA -0.167 4.155 4.320 0.003 0.000 0.206 872 K C 2.049 178.651 176.600 0.004 0.000 1.049 872 K CA 1.235 57.625 56.287 0.172 0.000 0.933 872 K CB -0.777 31.903 32.500 0.300 0.000 0.717 872 K HN 0.406 nan 8.250 nan 0.000 0.442 873 L N 0.764 121.992 121.223 0.007 0.000 2.376 873 L HA -0.059 4.283 4.340 0.003 0.000 0.219 873 L C 1.883 178.784 176.870 0.052 0.000 1.133 873 L CA 0.853 55.717 54.840 0.039 0.000 0.816 873 L CB 0.057 42.167 42.059 0.084 0.000 0.933 873 L HN -0.128 nan 8.230 nan 0.000 0.449 874 V N -1.185 118.642 119.914 -0.145 0.000 2.331 874 V HA -0.146 3.976 4.120 0.003 0.000 0.242 874 V C 2.222 178.158 176.094 -0.263 0.000 1.034 874 V CA 1.100 63.290 62.300 -0.184 0.000 1.027 874 V CB -0.420 31.058 31.823 -0.575 0.000 0.667 874 V HN 0.334 nan 8.190 nan 0.000 0.457 875 L N 0.337 121.235 121.223 -0.542 0.000 2.191 875 L HA -0.176 4.166 4.340 0.003 0.000 0.212 875 L C 2.128 178.883 176.870 -0.191 0.000 1.103 875 L CA 2.050 56.629 54.840 -0.436 0.000 0.769 875 L CB -0.962 40.699 42.059 -0.662 0.000 0.908 875 L HN 0.462 nan 8.230 nan 0.000 0.438 876 D N -1.401 118.923 120.400 -0.125 0.000 2.269 876 D HA -0.152 4.490 4.640 0.003 0.000 0.208 876 D C 2.095 178.402 176.300 0.011 0.000 0.963 876 D CA 0.969 54.938 54.000 -0.053 0.000 0.864 876 D CB 0.642 41.434 40.800 -0.013 0.000 0.936 876 D HN 0.303 nan 8.370 nan 0.000 0.505 877 S N -0.199 115.551 115.700 0.084 0.000 2.395 877 S HA -0.006 4.466 4.470 0.003 0.000 0.225 877 S C 2.166 176.873 174.600 0.179 0.000 1.027 877 S CA 0.162 58.510 58.200 0.247 0.000 0.965 877 S CB 0.013 63.459 63.200 0.410 0.000 0.812 877 S HN 0.221 nan 8.310 nan 0.000 0.482 878 I N 1.817 122.411 120.570 0.041 0.000 2.286 878 I HA -0.156 4.016 4.170 0.003 0.000 0.248 878 I C 1.948 178.013 176.117 -0.086 0.000 1.115 878 I CA 0.772 62.041 61.300 -0.052 0.000 1.392 878 I CB -0.330 37.690 38.000 0.033 0.000 1.065 878 I HN 0.330 nan 8.210 nan 0.000 0.418 879 I N 0.162 120.649 120.570 -0.139 0.000 2.226 879 I HA -0.329 3.843 4.170 0.003 0.000 0.245 879 I C 2.372 178.151 176.117 -0.563 0.000 1.100 879 I CA 1.624 62.597 61.300 -0.545 0.000 1.374 879 I CB -1.365 36.364 38.000 -0.451 0.000 1.057 879 I HN 0.578 nan 8.210 nan 0.000 0.413 880 W N 2.161 123.264 121.300 -0.329 0.000 2.364 880 W HA -0.220 4.442 4.660 0.003 0.000 0.281 880 W C 2.332 178.846 176.519 -0.007 0.000 1.219 880 W CA 1.493 58.761 57.345 -0.129 0.000 1.220 880 W CB 0.214 29.687 29.460 0.023 0.000 1.127 880 W HN 0.143 nan 8.180 nan 0.000 0.556 881 A N 1.303 123.990 122.820 -0.221 0.000 1.832 881 A HA -0.216 4.106 4.320 0.003 0.000 0.214 881 A C 1.632 179.203 177.584 -0.022 0.000 1.204 881 A CA 1.640 53.500 52.037 -0.295 0.000 0.606 881 A CB -1.790 16.616 19.000 -0.989 0.000 0.849 881 A HN 0.446 nan 8.150 nan 0.000 0.445 882 F N -0.775 119.151 119.950 -0.040 0.000 2.795 882 F HA 0.318 4.847 4.527 0.003 0.000 0.303 882 F C 1.100 176.955 175.800 0.091 0.000 1.186 882 F CA 0.413 58.441 58.000 0.048 0.000 1.415 882 F CB -0.211 38.820 39.000 0.052 0.000 1.106 882 F HN 0.013 nan 8.300 nan 0.000 0.558 883 K N -0.399 119.847 120.400 -0.256 0.000 2.358 883 K HA 0.100 4.422 4.320 0.003 0.000 0.197 883 K C -0.225 176.144 176.600 -0.386 0.000 1.025 883 K CA -0.158 55.999 56.287 -0.218 0.000 1.104 883 K CB -0.064 32.257 32.500 -0.299 0.000 0.855 883 K HN 0.372 nan 8.250 nan 0.000 0.531 884 H N -0.288 118.610 119.070 -0.287 0.000 2.607 884 H HA 0.012 4.570 4.556 0.003 0.000 0.367 884 H C 1.420 176.506 175.328 -0.403 0.000 1.181 884 H CA 0.667 56.471 56.048 -0.407 0.000 1.402 884 H CB 1.266 30.952 29.762 -0.126 0.000 1.474 884 H HN 0.006 nan 8.280 nan 0.000 0.596 885 T N -1.049 113.337 114.554 -0.281 0.000 3.065 885 T HA 0.086 4.438 4.350 0.003 0.000 0.252 885 T C 0.860 175.491 174.700 -0.116 0.000 1.099 885 T CA -0.068 61.869 62.100 -0.271 0.000 1.063 885 T CB 0.155 68.882 68.868 -0.234 0.000 0.948 885 T HN 0.382 nan 8.240 nan 0.000 0.506 886 M N 2.577 122.170 119.600 -0.012 0.000 2.842 886 M HA 0.198 4.680 4.480 0.003 0.000 0.314 886 M C 1.727 178.017 176.300 -0.016 0.000 1.646 886 M CA -0.076 55.223 55.300 -0.002 0.000 1.484 886 M CB 0.170 32.773 32.600 0.004 0.000 1.727 886 M HN 0.159 nan 8.290 nan 0.000 0.468 887 R N 2.628 123.107 120.500 -0.034 0.000 2.174 887 R HA -0.260 4.082 4.340 0.003 0.000 0.253 887 R C 1.675 177.970 176.300 -0.009 0.000 1.165 887 R CA 2.772 58.851 56.100 -0.034 0.000 0.984 887 R CB -0.103 30.175 30.300 -0.037 0.000 0.873 887 R HN 0.859 nan 8.270 nan 0.000 0.456 888 N N -1.586 117.114 118.700 0.001 0.000 2.220 888 N HA -0.094 4.648 4.740 0.003 0.000 0.182 888 N C 1.539 177.071 175.510 0.037 0.000 1.023 888 N CA 1.033 54.092 53.050 0.015 0.000 0.856 888 N CB -0.401 38.095 38.487 0.015 0.000 0.997 888 N HN -0.054 nan 8.380 nan 0.000 0.429 889 V N 0.841 120.775 119.914 0.034 0.000 2.358 889 V HA -0.124 3.998 4.120 0.003 0.000 0.246 889 V C 2.659 178.799 176.094 0.076 0.000 1.047 889 V CA 1.795 64.134 62.300 0.065 0.000 1.035 889 V CB -1.132 30.663 31.823 -0.048 0.000 0.658 889 V HN 0.579 nan 8.190 nan 0.000 0.452 890 A N -0.527 122.339 122.820 0.077 0.000 2.024 890 A HA -0.290 4.032 4.320 0.003 0.000 0.220 890 A C 2.143 179.810 177.584 0.138 0.000 1.164 890 A CA 2.033 54.152 52.037 0.137 0.000 0.643 890 A CB -0.492 18.573 19.000 0.108 0.000 0.806 890 A HN 0.576 nan 8.150 nan 0.000 0.451 891 D N -1.044 119.401 120.400 0.075 0.000 2.183 891 D HA -0.068 4.574 4.640 0.003 0.000 0.205 891 D C 1.797 178.127 176.300 0.050 0.000 0.962 891 D CA 1.592 55.619 54.000 0.046 0.000 0.849 891 D CB -0.045 40.761 40.800 0.010 0.000 0.978 891 D HN 0.368 nan 8.370 nan 0.000 0.488 892 T N -0.499 114.094 114.554 0.065 0.000 2.788 892 T HA -0.084 4.268 4.350 0.003 0.000 0.268 892 T C 1.874 176.608 174.700 0.057 0.000 1.044 892 T CA 1.389 63.535 62.100 0.077 0.000 1.139 892 T CB -0.573 68.378 68.868 0.140 0.000 0.867 892 T HN 0.232 nan 8.240 nan 0.000 0.454 893 G N 1.382 110.202 108.800 0.033 0.000 2.404 893 G HA2 -0.100 3.862 3.960 0.003 0.000 0.215 893 G HA3 -0.100 3.862 3.960 0.003 0.000 0.215 893 G C 1.481 176.461 174.900 0.133 0.000 1.174 893 G CA 0.365 45.492 45.100 0.045 0.000 0.780 893 G HN 0.443 nan 8.290 nan 0.000 0.537 894 L N -0.046 121.234 121.223 0.095 0.000 2.131 894 L HA -0.095 4.247 4.340 0.003 0.000 0.210 894 L C 3.163 180.040 176.870 0.011 0.000 1.092 894 L CA 0.747 55.561 54.840 -0.042 0.000 0.759 894 L CB -0.270 41.763 42.059 -0.043 0.000 0.903 894 L HN 0.163 nan 8.230 nan 0.000 0.435 895 Q N 0.020 119.836 119.800 0.027 0.000 2.084 895 Q HA -0.163 4.179 4.340 0.003 0.000 0.202 895 Q C 2.293 178.324 176.000 0.053 0.000 0.978 895 Q CA 1.658 57.473 55.803 0.019 0.000 0.844 895 Q CB -0.144 28.599 28.738 0.009 0.000 0.898 895 Q HN 0.583 nan 8.270 nan 0.000 0.426 896 I N 0.150 120.764 120.570 0.074 0.000 2.286 896 I HA -0.252 3.920 4.170 0.003 0.000 0.245 896 I C 2.288 178.472 176.117 0.112 0.000 1.104 896 I CA 0.413 61.776 61.300 0.105 0.000 1.397 896 I CB -0.364 37.713 38.000 0.128 0.000 1.072 896 I HN 0.148 nan 8.210 nan 0.000 0.417 897 L N 0.830 122.107 121.223 0.088 0.000 2.013 897 L HA -0.259 4.083 4.340 0.003 0.000 0.212 897 L C 2.330 179.252 176.870 0.087 0.000 1.073 897 L CA 1.966 56.845 54.840 0.065 0.000 0.753 897 L CB -0.845 41.188 42.059 -0.043 0.000 0.890 897 L HN 0.150 nan 8.230 nan 0.000 0.432 898 F N -0.508 119.409 119.950 -0.055 0.000 2.146 898 F HA -0.216 4.313 4.527 0.003 0.000 0.298 898 F C 2.147 177.887 175.800 -0.099 0.000 1.096 898 F CA 1.644 59.598 58.000 -0.076 0.000 1.275 898 F CB -0.066 38.861 39.000 -0.121 0.000 1.008 898 F HN 0.078 nan 8.300 nan 0.000 0.480 899 T N 1.614 116.294 114.554 0.210 0.000 2.995 899 T HA -0.119 4.233 4.350 0.003 0.000 0.269 899 T C 1.969 176.669 174.700 0.000 0.000 1.091 899 T CA 0.663 62.800 62.100 0.062 0.000 1.128 899 T CB -0.190 68.678 68.868 -0.000 0.000 0.891 899 T HN 0.168 nan 8.240 nan 0.000 0.492 900 L N 1.306 122.566 121.223 0.061 0.000 2.023 900 L HA 0.104 4.446 4.340 0.003 0.000 0.205 900 L C 2.142 178.973 176.870 -0.064 0.000 1.073 900 L CA 1.660 56.531 54.840 0.052 0.000 0.745 900 L CB -1.052 41.075 42.059 0.114 0.000 0.900 900 L HN 0.299 nan 8.230 nan 0.000 0.435 901 L N -0.505 120.733 121.223 0.025 0.000 2.187 901 L HA -0.254 4.088 4.340 0.003 0.000 0.213 901 L C 2.635 179.607 176.870 0.170 0.000 1.100 901 L CA 1.096 56.019 54.840 0.138 0.000 0.765 901 L CB -0.405 41.846 42.059 0.319 0.000 0.904 901 L HN 0.442 nan 8.230 nan 0.000 0.437 902 Q N -0.570 119.245 119.800 0.026 0.000 2.123 902 Q HA -0.073 4.269 4.340 0.003 0.000 0.196 902 Q C 1.934 177.845 176.000 -0.148 0.000 0.958 902 Q CA 0.846 56.632 55.803 -0.028 0.000 0.841 902 Q CB 0.053 28.752 28.738 -0.066 0.000 0.915 902 Q HN 0.505 nan 8.270 nan 0.000 0.455 903 N N 0.230 118.696 118.700 -0.390 0.000 2.244 903 N HA -0.096 4.646 4.740 0.003 0.000 0.183 903 N C 1.787 176.904 175.510 -0.654 0.000 1.016 903 N CA 0.765 53.337 53.050 -0.796 0.000 0.866 903 N CB -0.064 37.370 38.487 -1.755 0.000 0.980 903 N HN 0.026 nan 8.380 nan 0.000 0.430 904 V N 1.414 121.107 119.914 -0.369 0.000 2.427 904 V HA -0.060 4.062 4.120 0.003 0.000 0.248 904 V C 1.752 177.877 176.094 0.052 0.000 1.051 904 V CA 1.360 63.624 62.300 -0.058 0.000 1.048 904 V CB -0.754 30.901 31.823 -0.281 0.000 0.666 904 V HN 0.256 nan 8.190 nan 0.000 0.456 905 A N -0.675 122.207 122.820 0.103 0.000 2.233 905 A HA 0.016 4.338 4.320 0.003 0.000 0.230 905 A C 1.785 179.453 177.584 0.139 0.000 1.347 905 A CA 0.451 52.625 52.037 0.229 0.000 1.087 905 A CB -0.282 18.910 19.000 0.321 0.000 0.871 905 A HN 0.521 nan 8.150 nan 0.000 0.519 906 Q N -0.061 119.794 119.800 0.092 0.000 2.511 906 Q HA 0.097 4.439 4.340 0.003 0.000 0.236 906 Q C -0.199 175.857 176.000 0.094 0.000 0.893 906 Q CA 0.657 56.503 55.803 0.072 0.000 0.947 906 Q CB 0.277 29.033 28.738 0.030 0.000 1.110 906 Q HN 0.668 nan 8.270 nan 0.000 0.591 907 E N 1.978 122.248 120.200 0.118 0.000 2.103 907 E HA 0.155 4.507 4.350 0.003 0.000 0.254 907 E C -0.041 176.634 176.600 0.125 0.000 0.940 907 E CA -0.134 56.333 56.400 0.111 0.000 0.771 907 E CB 1.237 31.005 29.700 0.114 0.000 1.153 907 E HN 0.117 nan 8.360 nan 0.000 0.428 908 E N 1.718 121.991 120.200 0.121 0.000 2.233 908 E HA -0.251 4.101 4.350 0.003 0.000 0.199 908 E C 1.757 178.433 176.600 0.127 0.000 1.004 908 E CA 1.551 58.034 56.400 0.139 0.000 0.819 908 E CB -0.108 29.654 29.700 0.104 0.000 0.738 908 E HN 0.594 nan 8.360 nan 0.000 0.478 909 A N 1.045 123.922 122.820 0.095 0.000 1.842 909 A HA -0.144 4.178 4.320 0.003 0.000 0.217 909 A C 2.321 179.955 177.584 0.084 0.000 1.206 909 A CA 2.266 54.348 52.037 0.075 0.000 0.630 909 A CB -1.073 17.959 19.000 0.054 0.000 0.839 909 A HN 0.327 nan 8.150 nan 0.000 0.447 910 A N -1.174 121.692 122.820 0.077 0.000 2.208 910 A HA 0.456 4.778 4.320 0.003 0.000 0.209 910 A C 2.203 179.856 177.584 0.115 0.000 1.161 910 A CA 1.386 53.461 52.037 0.062 0.000 0.782 910 A CB -0.697 18.306 19.000 0.005 0.000 0.816 910 A HN 0.933 nan 8.150 nan 0.000 0.477 911 A N -0.504 122.412 122.820 0.159 0.000 1.832 911 A HA -0.125 4.197 4.320 0.003 0.000 0.214 911 A C 2.061 179.854 177.584 0.348 0.000 1.204 911 A CA 1.405 53.573 52.037 0.219 0.000 0.606 911 A CB -0.526 18.666 19.000 0.320 0.000 0.849 911 A HN 0.401 nan 8.150 nan 0.000 0.445 912 Q N -0.006 120.030 119.800 0.393 0.000 2.181 912 Q HA -0.155 4.187 4.340 0.003 0.000 0.205 912 Q C 2.365 178.532 176.000 0.278 0.000 0.980 912 Q CA 1.669 57.714 55.803 0.404 0.000 0.862 912 Q CB -0.862 27.999 28.738 0.206 0.000 0.905 912 Q HN 0.645 nan 8.270 nan 0.000 0.429 913 S N -0.023 115.792 115.700 0.191 0.000 2.399 913 S HA -0.135 4.337 4.470 0.003 0.000 0.231 913 S C 1.645 176.342 174.600 0.161 0.000 1.022 913 S CA 0.810 59.087 58.200 0.128 0.000 0.983 913 S CB -0.210 63.042 63.200 0.087 0.000 0.803 913 S HN 0.411 nan 8.310 nan 0.000 0.480 914 F N 1.075 121.059 119.950 0.057 0.000 2.128 914 F HA 0.065 4.594 4.527 0.004 0.000 0.295 914 F C 1.674 177.566 175.800 0.153 0.000 1.100 914 F CA 1.212 59.276 58.000 0.107 0.000 1.260 914 F CB -0.709 38.269 39.000 -0.037 0.000 1.009 914 F HN 0.259 nan 8.300 nan 0.000 0.476 915 Y N 0.171 120.585 120.300 0.190 0.000 2.403 915 Y HA -0.244 4.308 4.550 0.003 0.000 0.291 915 Y C 2.530 178.437 175.900 0.013 0.000 1.143 915 Y CA 1.277 59.439 58.100 0.103 0.000 1.257 915 Y CB -0.669 37.856 38.460 0.107 0.000 0.984 915 Y HN 0.247 nan 8.280 nan 0.000 0.550 916 Q N 0.755 120.623 119.800 0.113 0.000 1.946 916 Q HA -0.121 4.221 4.340 0.003 0.000 0.199 916 Q C 2.106 178.063 176.000 -0.072 0.000 0.979 916 Q CA 2.455 58.268 55.803 0.016 0.000 0.834 916 Q CB -0.642 28.097 28.738 0.001 0.000 0.899 916 Q HN 0.370 nan 8.270 nan 0.000 0.431 917 T N -2.268 112.167 114.554 -0.198 0.000 3.194 917 T HA 0.111 4.463 4.350 0.003 0.000 0.251 917 T C 0.656 174.971 174.700 -0.642 0.000 1.132 917 T CA 0.636 62.486 62.100 -0.417 0.000 1.028 917 T CB -0.192 68.339 68.868 -0.561 0.000 0.976 917 T HN 0.415 nan 8.240 nan 0.000 0.535 918 Y N -2.083 118.153 120.300 -0.107 0.000 2.965 918 Y HA 0.287 4.839 4.550 0.003 0.000 0.242 918 Y C 1.616 177.475 175.900 -0.068 0.000 1.078 918 Y CA -1.204 56.807 58.100 -0.149 0.000 1.288 918 Y CB -0.150 38.066 38.460 -0.408 0.000 1.459 918 Y HN 0.104 nan 8.280 nan 0.000 0.438 919 F N 1.347 121.242 119.950 -0.092 0.000 2.060 919 F HA -0.485 4.044 4.527 0.003 0.000 0.293 919 F C 2.217 178.084 175.800 0.113 0.000 1.096 919 F CA 2.284 60.298 58.000 0.024 0.000 1.241 919 F CB -0.630 38.436 39.000 0.110 0.000 0.959 919 F HN 0.194 nan 8.300 nan 0.000 0.499 920 C N 0.570 120.108 119.300 0.397 0.000 2.413 920 C HA -0.225 4.237 4.460 0.003 0.000 0.276 920 C C 2.541 177.689 174.990 0.262 0.000 1.236 920 C CA 1.358 60.544 59.018 0.280 0.000 1.735 920 C CB -1.280 26.479 27.740 0.032 0.000 2.031 920 C HN 0.576 nan 8.230 nan 0.000 0.474 921 D N 0.704 121.239 120.400 0.226 0.000 2.117 921 D HA -0.071 4.571 4.640 0.003 0.000 0.198 921 D C 1.974 178.462 176.300 0.314 0.000 0.982 921 D CA 1.186 55.343 54.000 0.260 0.000 0.828 921 D CB -0.265 40.710 40.800 0.291 0.000 0.967 921 D HN 0.506 nan 8.370 nan 0.000 0.464 922 I N 0.898 121.612 120.570 0.240 0.000 2.179 922 I HA -0.244 3.928 4.170 0.003 0.000 0.242 922 I C 2.455 178.652 176.117 0.132 0.000 1.088 922 I CA 0.550 61.969 61.300 0.198 0.000 1.357 922 I CB -0.190 37.837 38.000 0.044 0.000 1.051 922 I HN -0.015 nan 8.210 nan 0.000 0.409 923 L N 0.762 121.996 121.223 0.018 0.000 2.261 923 L HA -0.233 4.109 4.340 0.003 0.000 0.216 923 L C 2.399 179.450 176.870 0.302 0.000 1.114 923 L CA 1.735 56.619 54.840 0.073 0.000 0.777 923 L CB -0.794 41.313 42.059 0.079 0.000 0.910 923 L HN 0.311 nan 8.230 nan 0.000 0.440 924 Q N -2.153 117.795 119.800 0.248 0.000 2.163 924 Q HA -0.157 4.185 4.340 0.003 0.000 0.198 924 Q C 1.963 178.029 176.000 0.110 0.000 0.954 924 Q CA 0.878 56.778 55.803 0.163 0.000 0.851 924 Q CB -0.095 28.684 28.738 0.069 0.000 0.928 924 Q HN 0.613 nan 8.270 nan 0.000 0.459 925 H N 0.419 119.605 119.070 0.194 0.000 2.333 925 H HA -0.070 4.489 4.556 0.003 0.000 0.302 925 H C 2.142 177.601 175.328 0.217 0.000 1.075 925 H CA 1.348 57.511 56.048 0.192 0.000 1.348 925 H CB -0.064 29.826 29.762 0.212 0.000 1.393 925 H HN 0.325 nan 8.280 nan 0.000 0.509 926 I N 0.444 121.184 120.570 0.284 0.000 2.850 926 I HA -0.255 3.917 4.170 0.003 0.000 0.266 926 I C 1.478 177.494 176.117 -0.169 0.000 1.257 926 I CA 0.902 62.189 61.300 -0.022 0.000 1.465 926 I CB -0.198 37.645 38.000 -0.263 0.000 1.091 926 I HN 0.027 nan 8.210 nan 0.000 0.467 927 F N 0.065 120.009 119.950 -0.010 0.000 2.446 927 F HA -0.097 4.432 4.527 0.003 0.000 0.292 927 F C 2.742 178.560 175.800 0.031 0.000 1.096 927 F CA 0.950 58.955 58.000 0.007 0.000 1.438 927 F CB 0.058 39.084 39.000 0.044 0.000 1.107 927 F HN 0.133 nan 8.300 nan 0.000 0.546 928 S N -0.902 114.919 115.700 0.202 0.000 2.474 928 S HA -0.096 4.376 4.470 0.003 0.000 0.235 928 S C 1.747 176.358 174.600 0.019 0.000 0.997 928 S CA 1.161 59.431 58.200 0.116 0.000 0.949 928 S CB -0.756 62.489 63.200 0.075 0.000 0.766 928 S HN 0.130 nan 8.310 nan 0.000 0.517 929 V N 0.975 120.854 119.914 -0.059 0.000 2.500 929 V HA 0.003 4.125 4.120 0.003 0.000 0.243 929 V C 2.589 178.570 176.094 -0.188 0.000 1.039 929 V CA 1.031 63.167 62.300 -0.273 0.000 1.053 929 V CB -0.419 31.266 31.823 -0.230 0.000 0.695 929 V HN 0.414 nan 8.190 nan 0.000 0.463 930 V N 1.194 120.986 119.914 -0.202 0.000 2.255 930 V HA -0.259 3.863 4.120 0.003 0.000 0.247 930 V C 2.591 178.753 176.094 0.114 0.000 1.051 930 V CA 2.633 64.897 62.300 -0.062 0.000 1.018 930 V CB -1.163 30.581 31.823 -0.131 0.000 0.641 930 V HN 0.791 nan 8.190 nan 0.000 0.445 931 T N -2.340 112.325 114.554 0.186 0.000 3.308 931 T HA -0.022 4.330 4.350 0.003 0.000 0.255 931 T C 0.232 175.031 174.700 0.165 0.000 1.162 931 T CA 0.338 62.568 62.100 0.216 0.000 1.031 931 T CB -0.464 68.657 68.868 0.423 0.000 0.973 931 T HN 0.412 nan 8.240 nan 0.000 0.544 932 D N 2.242 122.718 120.400 0.125 0.000 2.256 932 D HA 0.281 4.923 4.640 0.003 0.000 0.240 932 D C 0.534 176.931 176.300 0.162 0.000 1.062 932 D CA -0.460 53.617 54.000 0.128 0.000 0.832 932 D CB 1.557 42.401 40.800 0.074 0.000 1.135 932 D HN 0.195 nan 8.370 nan 0.000 0.484 933 T N 0.229 114.856 114.554 0.121 0.000 3.820 933 T HA 0.257 4.609 4.350 0.003 0.000 0.224 933 T C 0.425 175.181 174.700 0.093 0.000 0.869 933 T CA -0.383 61.772 62.100 0.091 0.000 0.932 933 T CB -0.247 68.647 68.868 0.044 0.000 1.259 933 T HN 0.133 nan 8.240 nan 0.000 0.676 934 S N -0.249 115.549 115.700 0.163 0.000 2.822 934 S HA 0.161 4.633 4.470 0.003 0.000 0.251 934 S C 0.063 174.604 174.600 -0.099 0.000 0.946 934 S CA -0.518 57.707 58.200 0.042 0.000 1.377 934 S CB 0.155 63.360 63.200 0.007 0.000 1.230 934 S HN 0.728 nan 8.310 nan 0.000 0.671 935 H N 0.206 119.311 119.070 0.059 0.000 3.230 935 H HA 0.177 4.735 4.556 0.003 0.000 0.259 935 H C 1.921 177.308 175.328 0.098 0.000 1.195 935 H CA 0.651 56.764 56.048 0.107 0.000 1.112 935 H CB 0.054 29.946 29.762 0.216 0.000 1.638 935 H HN 0.327 nan 8.280 nan 0.000 0.624 936 T N -1.947 112.702 114.554 0.158 0.000 2.946 936 T HA -0.116 4.236 4.350 0.003 0.000 0.271 936 T C 2.179 176.882 174.700 0.005 0.000 1.104 936 T CA 0.870 63.022 62.100 0.088 0.000 1.114 936 T CB -0.142 68.767 68.868 0.068 0.000 0.867 936 T HN 0.345 nan 8.240 nan 0.000 0.513 937 A N 2.311 125.123 122.820 -0.012 0.000 1.834 937 A HA 0.273 4.595 4.320 0.003 0.000 0.216 937 A C 2.442 179.969 177.584 -0.096 0.000 1.203 937 A CA 1.278 53.287 52.037 -0.047 0.000 0.621 937 A CB -1.466 17.504 19.000 -0.049 0.000 0.841 937 A HN 0.642 nan 8.150 nan 0.000 0.446 938 G N -0.594 108.124 108.800 -0.137 0.000 3.375 938 G HA2 0.290 4.252 3.960 0.003 0.000 0.247 938 G HA3 0.290 4.252 3.960 0.003 0.000 0.247 938 G C 0.973 175.569 174.900 -0.506 0.000 1.343 938 G CA 0.317 45.281 45.100 -0.227 0.000 1.368 938 G HN 0.506 nan 8.290 nan 0.000 0.549 939 L N -0.362 120.619 121.223 -0.404 0.000 2.046 939 L HA -0.090 4.252 4.340 0.003 0.000 0.208 939 L C 2.752 179.451 176.870 -0.284 0.000 1.077 939 L CA 1.770 56.356 54.840 -0.424 0.000 0.747 939 L CB -0.302 41.702 42.059 -0.092 0.000 0.896 939 L HN 0.227 nan 8.230 nan 0.000 0.432 940 T N 0.216 114.662 114.554 -0.181 0.000 2.822 940 T HA -0.190 4.162 4.350 0.003 0.000 0.270 940 T C 1.861 176.485 174.700 -0.126 0.000 1.064 940 T CA 1.538 63.568 62.100 -0.116 0.000 1.131 940 T CB -0.124 68.692 68.868 -0.087 0.000 0.858 940 T HN 0.268 nan 8.240 nan 0.000 0.483 941 M N 0.020 119.516 119.600 -0.174 0.000 2.288 941 M HA 0.029 4.511 4.480 0.003 0.000 0.266 941 M C 2.003 178.279 176.300 -0.040 0.000 1.072 941 M CA 1.255 56.498 55.300 -0.096 0.000 1.132 941 M CB -1.014 31.526 32.600 -0.100 0.000 1.386 941 M HN 0.266 nan 8.290 nan 0.000 0.432 942 H N 0.815 119.795 119.070 -0.150 0.000 2.253 942 H HA -0.012 4.546 4.556 0.003 0.000 0.296 942 H C 2.188 177.319 175.328 -0.329 0.000 1.067 942 H CA 1.985 57.894 56.048 -0.233 0.000 1.245 942 H CB -1.080 28.575 29.762 -0.178 0.000 1.364 942 H HN 0.347 nan 8.280 nan 0.000 0.494 943 A N 0.567 123.276 122.820 -0.186 0.000 1.948 943 A HA -0.227 4.095 4.320 0.003 0.000 0.220 943 A C 2.719 179.950 177.584 -0.589 0.000 1.177 943 A CA 2.247 53.952 52.037 -0.553 0.000 0.636 943 A CB -0.848 17.966 19.000 -0.309 0.000 0.815 943 A HN 0.418 nan 8.150 nan 0.000 0.449 944 S N -0.459 115.103 115.700 -0.230 0.000 2.368 944 S HA -0.085 4.387 4.470 0.003 0.000 0.225 944 S C 1.800 176.393 174.600 -0.011 0.000 1.030 944 S CA 1.514 59.706 58.200 -0.013 0.000 0.999 944 S CB -0.408 62.886 63.200 0.157 0.000 0.844 944 S HN 0.576 nan 8.310 nan 0.000 0.459 945 I N 1.016 121.496 120.570 -0.150 0.000 2.277 945 I HA -0.073 4.099 4.170 0.003 0.000 0.243 945 I C 1.976 177.846 176.117 -0.412 0.000 1.094 945 I CA 0.841 61.920 61.300 -0.368 0.000 1.393 945 I CB -0.369 37.445 38.000 -0.310 0.000 1.078 945 I HN 0.205 nan 8.210 nan 0.000 0.417 946 L N 0.841 121.763 121.223 -0.501 0.000 2.127 946 L HA -0.215 4.127 4.340 0.003 0.000 0.211 946 L C 2.835 179.359 176.870 -0.578 0.000 1.089 946 L CA 1.307 55.757 54.840 -0.650 0.000 0.757 946 L CB -0.675 41.009 42.059 -0.624 0.000 0.899 946 L HN 0.266 nan 8.230 nan 0.000 0.434 947 A N -0.687 121.822 122.820 -0.518 0.000 1.872 947 A HA -0.270 4.052 4.320 0.003 0.000 0.214 947 A C 2.170 179.758 177.584 0.007 0.000 1.187 947 A CA 1.299 53.258 52.037 -0.130 0.000 0.614 947 A CB -0.829 18.063 19.000 -0.179 0.000 0.826 947 A HN 0.455 nan 8.150 nan 0.000 0.442 948 Y N -0.069 120.111 120.300 -0.199 0.000 2.352 948 Y HA -0.092 4.460 4.550 0.003 0.000 0.292 948 Y C 2.158 178.018 175.900 -0.068 0.000 1.136 948 Y CA 1.667 59.677 58.100 -0.150 0.000 1.227 948 Y CB -0.303 37.926 38.460 -0.384 0.000 0.991 948 Y HN 0.272 nan 8.280 nan 0.000 0.545 949 M N -1.700 117.736 119.600 -0.274 0.000 2.236 949 M HA -0.135 4.347 4.480 0.003 0.000 0.266 949 M C 1.737 178.133 176.300 0.160 0.000 1.070 949 M CA 1.534 56.737 55.300 -0.162 0.000 1.137 949 M CB -0.302 32.084 32.600 -0.357 0.000 1.378 949 M HN 0.264 nan 8.290 nan 0.000 0.426 950 F N -0.764 119.179 119.950 -0.013 0.000 2.512 950 F HA -0.081 4.448 4.527 0.003 0.000 0.296 950 F C 2.268 178.074 175.800 0.010 0.000 1.110 950 F CA 0.105 58.040 58.000 -0.108 0.000 1.446 950 F CB -0.172 38.548 39.000 -0.467 0.000 1.092 950 F HN 0.302 nan 8.300 nan 0.000 0.554 951 N N 1.064 119.879 118.700 0.192 0.000 2.416 951 N HA -0.088 4.654 4.740 0.003 0.000 0.177 951 N C 1.821 177.376 175.510 0.076 0.000 1.036 951 N CA 0.372 53.513 53.050 0.152 0.000 0.901 951 N CB 0.181 38.757 38.487 0.149 0.000 0.976 951 N HN 0.346 nan 8.380 nan 0.000 0.444 952 L N 0.683 121.896 121.223 -0.017 0.000 2.395 952 L HA 0.026 4.368 4.340 0.003 0.000 0.218 952 L C 1.753 178.583 176.870 -0.067 0.000 1.130 952 L CA 0.291 55.067 54.840 -0.107 0.000 0.826 952 L CB 0.219 42.127 42.059 -0.252 0.000 0.941 952 L HN -0.052 nan 8.230 nan 0.000 0.451 953 V N -0.620 119.337 119.914 0.072 0.000 2.951 953 V HA -0.141 3.981 4.120 0.003 0.000 0.255 953 V C 1.853 177.989 176.094 0.070 0.000 1.088 953 V CA 1.160 63.503 62.300 0.071 0.000 1.109 953 V CB -0.242 31.756 31.823 0.292 0.000 0.724 953 V HN 0.432 nan 8.190 nan 0.000 0.471 954 E N -0.471 119.794 120.200 0.108 0.000 2.502 954 E HA -0.017 4.335 4.350 0.003 0.000 0.194 954 E C 1.245 177.852 176.600 0.012 0.000 1.062 954 E CA 0.437 56.878 56.400 0.067 0.000 0.867 954 E CB 0.303 30.067 29.700 0.107 0.000 0.888 954 E HN 0.685 nan 8.360 nan 0.000 0.510 955 E N -1.657 118.533 120.200 -0.017 0.000 3.091 955 E HA 0.031 4.383 4.350 0.003 0.000 0.264 955 E C 1.616 178.166 176.600 -0.083 0.000 1.170 955 E CA 0.338 56.716 56.400 -0.036 0.000 1.898 955 E CB -0.446 29.247 29.700 -0.011 0.000 2.460 955 E HN 0.139 nan 8.360 nan 0.000 1.009 956 G N 3.040 111.765 108.800 -0.124 0.000 2.912 956 G HA2 -0.281 3.682 3.960 0.003 0.000 0.214 956 G HA3 -0.281 3.682 3.960 0.003 0.000 0.214 956 G C 0.527 175.249 174.900 -0.296 0.000 1.341 956 G CA 0.691 45.656 45.100 -0.226 0.000 0.794 956 G HN 0.012 nan 8.290 nan 0.000 0.691 957 K N 1.233 121.376 120.400 -0.428 0.000 2.530 957 K HA 0.081 4.403 4.320 0.003 0.000 0.280 957 K C 0.742 177.227 176.600 -0.191 0.000 1.004 957 K CA 0.676 56.739 56.287 -0.374 0.000 1.071 957 K CB 0.439 32.705 32.500 -0.391 0.000 0.876 957 K HN 0.568 nan 8.250 nan 0.000 0.487 958 I N -0.995 119.500 120.570 -0.126 0.000 3.833 958 I HA 0.090 4.262 4.170 0.003 0.000 0.328 958 I C 0.333 176.418 176.117 -0.055 0.000 1.554 958 I CA -0.427 60.829 61.300 -0.074 0.000 1.116 958 I CB 0.372 38.346 38.000 -0.044 0.000 1.182 958 I HN 0.484 nan 8.210 nan 0.000 0.459 959 S N 0.372 116.032 115.700 -0.066 0.000 4.341 959 S HA 0.575 5.047 4.470 0.003 0.000 0.223 959 S C 0.208 174.758 174.600 -0.084 0.000 1.085 959 S CA -0.034 58.132 58.200 -0.056 0.000 1.732 959 S CB 1.434 64.615 63.200 -0.032 0.000 0.999 959 S HN 0.228 nan 8.310 nan 0.000 0.742 960 T N 1.428 115.925 114.554 -0.096 0.000 3.293 960 T HA 0.565 4.917 4.350 0.003 0.000 0.320 960 T C -2.655 171.938 174.700 -0.179 0.000 0.995 960 T CA -1.193 60.820 62.100 -0.145 0.000 1.041 960 T CB 1.422 70.206 68.868 -0.140 0.000 1.058 960 T HN 0.234 nan 8.240 nan 0.000 0.453 961 P HA 0.251 nan 4.420 nan 0.000 0.215 961 P C 0.140 177.185 177.300 -0.425 0.000 1.157 961 P CA 0.597 63.531 63.100 -0.278 0.000 0.859 961 P CB 0.374 31.927 31.700 -0.245 0.000 0.786 962 L N -3.825 116.982 121.223 -0.695 0.000 2.461 962 L HA 0.269 4.611 4.340 0.003 0.000 0.242 962 L C 1.107 177.720 176.870 -0.428 0.000 1.143 962 L CA -0.945 53.556 54.840 -0.566 0.000 0.984 962 L CB 0.304 41.950 42.059 -0.689 0.000 1.573 962 L HN -0.337 nan 8.230 nan 0.000 0.404 963 N N 0.278 118.807 118.700 -0.284 0.000 2.150 963 N HA -0.158 4.584 4.740 0.003 0.000 0.196 963 N C -1.740 173.679 175.510 -0.152 0.000 0.982 963 N CA 1.552 54.504 53.050 -0.165 0.000 0.896 963 N CB -2.265 36.166 38.487 -0.093 0.000 1.077 963 N HN 0.396 nan 8.380 nan 0.000 0.621 970 N N 0.174 118.862 118.700 -0.019 0.000 2.606 970 N HA 0.060 4.802 4.740 0.003 0.000 0.208 970 N C 1.023 176.567 175.510 0.055 0.000 1.046 970 N CA 0.956 54.005 53.050 -0.001 0.000 0.891 970 N CB -0.031 38.426 38.487 -0.050 0.000 1.344 970 N HN 0.629 nan 8.380 nan 0.000 0.437 971 Q N 0.548 120.347 119.800 -0.001 0.000 2.061 971 Q HA -0.194 4.148 4.340 0.003 0.000 0.204 971 Q C 2.103 178.089 176.000 -0.023 0.000 0.984 971 Q CA 1.864 57.656 55.803 -0.018 0.000 0.846 971 Q CB -0.235 28.433 28.738 -0.117 0.000 0.902 971 Q HN 0.451 nan 8.270 nan 0.000 0.421 972 M N -0.115 119.462 119.600 -0.037 0.000 2.143 972 M HA -0.235 4.247 4.480 0.003 0.000 0.258 972 M C 1.919 178.251 176.300 0.053 0.000 1.071 972 M CA 1.934 57.217 55.300 -0.028 0.000 1.088 972 M CB -0.293 32.300 32.600 -0.012 0.000 1.360 972 M HN 0.440 nan 8.290 nan 0.000 0.404 973 F N 0.825 120.764 119.950 -0.018 0.000 2.102 973 F HA -0.225 4.304 4.527 0.003 0.000 0.298 973 F C 1.831 177.686 175.800 0.093 0.000 1.105 973 F CA 1.913 59.926 58.000 0.022 0.000 1.239 973 F CB -0.189 38.805 39.000 -0.009 0.000 0.991 973 F HN 0.102 nan 8.300 nan 0.000 0.474 974 I N 0.274 120.832 120.570 -0.020 0.000 2.252 974 I HA -0.301 3.871 4.170 0.003 0.000 0.245 974 I C 2.500 178.636 176.117 0.032 0.000 1.102 974 I CA 1.593 62.901 61.300 0.013 0.000 1.385 974 I CB -0.689 37.465 38.000 0.257 0.000 1.064 974 I HN 0.320 nan 8.210 nan 0.000 0.414 975 Q N 0.683 120.491 119.800 0.013 0.000 2.234 975 Q HA -0.235 4.107 4.340 0.003 0.000 0.206 975 Q C 1.504 177.479 176.000 -0.042 0.000 0.980 975 Q CA 1.632 57.428 55.803 -0.011 0.000 0.869 975 Q CB 0.130 28.790 28.738 -0.130 0.000 0.912 975 Q HN 0.526 nan 8.270 nan 0.000 0.436 976 D N -1.035 119.322 120.400 -0.072 0.000 2.269 976 D HA -0.110 4.532 4.640 0.003 0.000 0.220 976 D C 1.563 177.792 176.300 -0.119 0.000 0.962 976 D CA 0.548 54.501 54.000 -0.078 0.000 0.884 976 D CB -0.256 40.514 40.800 -0.052 0.000 1.023 976 D HN 0.256 nan 8.370 nan 0.000 0.484 977 Y N 2.681 122.757 120.300 -0.373 0.000 2.102 977 Y HA -0.292 4.260 4.550 0.003 0.000 0.280 977 Y C 2.205 177.976 175.900 -0.215 0.000 1.178 977 Y CA 1.341 59.201 58.100 -0.400 0.000 1.146 977 Y CB -0.562 37.463 38.460 -0.726 0.000 0.968 977 Y HN -0.245 nan 8.280 nan 0.000 0.504 978 V N 0.386 120.187 119.914 -0.188 0.000 2.295 978 V HA -0.342 3.780 4.120 0.003 0.000 0.246 978 V C 2.684 178.618 176.094 -0.266 0.000 1.049 978 V CA 1.836 63.977 62.300 -0.265 0.000 1.024 978 V CB -1.601 30.183 31.823 -0.065 0.000 0.648 978 V HN 0.612 nan 8.190 nan 0.000 0.447 979 A N 0.759 123.491 122.820 -0.147 0.000 1.851 979 A HA -0.241 4.081 4.320 0.003 0.000 0.216 979 A C 1.955 179.471 177.584 -0.113 0.000 1.195 979 A CA 2.061 54.048 52.037 -0.084 0.000 0.622 979 A CB -0.790 18.188 19.000 -0.036 0.000 0.831 979 A HN 0.631 nan 8.150 nan 0.000 0.444 980 N N -0.322 118.293 118.700 -0.142 0.000 2.519 980 N HA -0.101 4.641 4.740 0.003 0.000 0.186 980 N C 1.325 176.714 175.510 -0.202 0.000 1.062 980 N CA 1.129 54.096 53.050 -0.137 0.000 0.910 980 N CB -0.181 38.241 38.487 -0.108 0.000 0.958 980 N HN 0.439 nan 8.380 nan 0.000 0.445 981 L N 0.498 121.539 121.223 -0.304 0.000 2.202 981 L HA 0.167 4.509 4.340 0.003 0.000 0.205 981 L C 1.912 178.632 176.870 -0.251 0.000 1.083 981 L CA 0.934 55.562 54.840 -0.354 0.000 0.790 981 L CB -0.275 41.447 42.059 -0.562 0.000 0.942 981 L HN -0.025 nan 8.230 nan 0.000 0.452 982 L N -0.495 120.622 121.223 -0.176 0.000 2.068 982 L HA -0.112 4.230 4.340 0.003 0.000 0.204 982 L C 2.472 179.372 176.870 0.050 0.000 1.076 982 L CA 1.153 56.002 54.840 0.015 0.000 0.753 982 L CB -0.634 41.479 42.059 0.089 0.000 0.910 982 L HN 0.180 nan 8.230 nan 0.000 0.439 983 K N 0.799 121.198 120.400 -0.002 0.000 2.218 983 K HA -0.183 4.139 4.320 0.003 0.000 0.205 983 K C 2.160 178.715 176.600 -0.075 0.000 1.046 983 K CA 1.841 58.119 56.287 -0.015 0.000 0.933 983 K CB -0.220 32.267 32.500 -0.023 0.000 0.728 983 K HN 0.420 nan 8.250 nan 0.000 0.454 984 S N -0.710 114.915 115.700 -0.125 0.000 2.348 984 S HA 0.037 4.509 4.470 0.003 0.000 0.219 984 S C 2.242 176.708 174.600 -0.224 0.000 1.033 984 S CA 0.578 58.687 58.200 -0.152 0.000 0.974 984 S CB -0.546 62.563 63.200 -0.152 0.000 0.868 984 S HN 0.291 nan 8.310 nan 0.000 0.459 985 A N 0.588 123.189 122.820 -0.364 0.000 2.066 985 A HA 0.364 4.686 4.320 0.003 0.000 0.218 985 A C 0.586 177.688 177.584 -0.803 0.000 1.157 985 A CA 0.325 51.987 52.037 -0.625 0.000 0.670 985 A CB -0.521 17.952 19.000 -0.878 0.000 0.804 985 A HN 0.597 nan 8.150 nan 0.000 0.453 986 F N -0.417 119.435 119.950 -0.162 0.000 2.531 986 F HA 0.304 4.833 4.527 0.003 0.000 0.333 986 F C -1.722 173.815 175.800 -0.439 0.000 1.292 986 F CA -1.899 55.881 58.000 -0.367 0.000 1.184 986 F CB 1.386 40.180 39.000 -0.343 0.000 1.426 986 F HN 0.043 nan 8.300 nan 0.000 0.559 987 P HA -0.184 nan 4.420 nan 0.000 0.222 987 P C 0.818 178.050 177.300 -0.114 0.000 1.147 987 P CA 1.477 64.499 63.100 -0.129 0.000 0.790 987 P CB -0.293 31.355 31.700 -0.086 0.000 0.780 988 H N -1.581 117.495 119.070 0.011 0.000 2.556 988 H HA 0.264 4.822 4.556 0.003 0.000 0.273 988 H C 0.434 175.792 175.328 0.049 0.000 1.030 988 H CA -0.312 55.721 56.048 -0.024 0.000 1.156 988 H CB -1.450 28.265 29.762 -0.078 0.000 1.326 988 H HN 0.078 nan 8.280 nan 0.000 0.609 989 L N 2.809 124.015 121.223 -0.029 0.000 2.265 989 L HA 0.216 4.558 4.340 0.003 0.000 0.289 989 L C 0.120 177.016 176.870 0.044 0.000 1.033 989 L CA -1.010 53.851 54.840 0.034 0.000 0.814 989 L CB 1.280 43.340 42.059 0.002 0.000 1.203 989 L HN 0.418 nan 8.230 nan 0.000 0.423 990 Q N 0.555 120.391 119.800 0.061 0.000 2.349 990 Q HA -0.003 4.339 4.340 0.003 0.000 0.287 990 Q C -0.367 175.666 176.000 0.055 0.000 1.044 990 Q CA -0.197 55.636 55.803 0.051 0.000 0.918 990 Q CB 0.687 29.458 28.738 0.055 0.000 1.242 990 Q HN 0.531 nan 8.270 nan 0.000 0.405 991 D N 1.555 121.981 120.400 0.044 0.000 2.407 991 D HA -0.076 4.566 4.640 0.003 0.000 0.234 991 D C 1.100 177.434 176.300 0.057 0.000 1.029 991 D CA 1.096 55.123 54.000 0.045 0.000 0.937 991 D CB 0.180 40.997 40.800 0.029 0.000 0.882 991 D HN 0.659 nan 8.370 nan 0.000 0.531 992 A N 0.947 123.805 122.820 0.065 0.000 1.862 992 A HA -0.139 4.183 4.320 0.003 0.000 0.211 992 A C 2.097 179.742 177.584 0.101 0.000 1.220 992 A CA 0.549 52.629 52.037 0.072 0.000 0.616 992 A CB -0.482 18.557 19.000 0.065 0.000 0.878 992 A HN 0.279 nan 8.150 nan 0.000 0.453 993 Q N -0.043 119.824 119.800 0.112 0.000 2.291 993 Q HA -0.079 4.263 4.340 0.003 0.000 0.206 993 Q C 1.561 177.696 176.000 0.226 0.000 0.976 993 Q CA 1.812 57.709 55.803 0.156 0.000 0.875 993 Q CB -0.515 28.297 28.738 0.124 0.000 0.927 993 Q HN 0.340 nan 8.270 nan 0.000 0.450 994 V N 1.116 121.142 119.914 0.188 0.000 2.407 994 V HA -0.188 3.934 4.120 0.003 0.000 0.245 994 V C 2.313 178.528 176.094 0.201 0.000 1.041 994 V CA 1.847 64.279 62.300 0.220 0.000 1.040 994 V CB -0.493 31.418 31.823 0.145 0.000 0.671 994 V HN 0.280 nan 8.190 nan 0.000 0.455 995 K N 0.893 121.373 120.400 0.133 0.000 2.026 995 K HA -0.168 4.154 4.320 0.003 0.000 0.208 995 K C 1.938 178.602 176.600 0.107 0.000 1.048 995 K CA 1.676 58.018 56.287 0.092 0.000 0.929 995 K CB -0.719 31.816 32.500 0.059 0.000 0.713 995 K HN 0.289 nan 8.250 nan 0.000 0.439 996 L N 0.279 121.586 121.223 0.140 0.000 2.017 996 L HA -0.018 4.324 4.340 0.003 0.000 0.208 996 L C 2.103 179.093 176.870 0.201 0.000 1.073 996 L CA 1.748 56.673 54.840 0.142 0.000 0.745 996 L CB -0.920 41.233 42.059 0.155 0.000 0.894 996 L HN 0.333 nan 8.230 nan 0.000 0.432 997 F N -0.535 119.507 119.950 0.154 0.000 2.069 997 F HA -0.211 4.318 4.527 0.003 0.000 0.298 997 F C 2.198 178.090 175.800 0.154 0.000 1.113 997 F CA 2.163 60.285 58.000 0.204 0.000 1.214 997 F CB -0.736 38.304 39.000 0.067 0.000 0.978 997 F HN -0.088 nan 8.300 nan 0.000 0.474 998 V N 0.197 120.097 119.914 -0.024 0.000 2.392 998 V HA -0.344 3.778 4.120 0.003 0.000 0.249 998 V C 2.318 178.361 176.094 -0.085 0.000 1.059 998 V CA 2.363 64.580 62.300 -0.138 0.000 1.051 998 V CB -1.307 30.523 31.823 0.011 0.000 0.658 998 V HN 0.490 nan 8.190 nan 0.000 0.455 999 T N 0.423 114.963 114.554 -0.023 0.000 2.708 999 T HA -0.127 4.225 4.350 0.003 0.000 0.266 999 T C 1.958 176.625 174.700 -0.055 0.000 1.037 999 T CA 1.604 63.701 62.100 -0.005 0.000 1.146 999 T CB -0.714 68.145 68.868 -0.015 0.000 0.865 999 T HN 0.622 nan 8.240 nan 0.000 0.435 1000 G N 1.622 110.321 108.800 -0.168 0.000 2.450 1000 G HA2 -0.146 3.816 3.960 0.003 0.000 0.220 1000 G HA3 -0.146 3.816 3.960 0.003 0.000 0.220 1000 G C 1.388 176.051 174.900 -0.396 0.000 1.130 1000 G CA 0.454 45.327 45.100 -0.380 0.000 0.760 1000 G HN 0.482 nan 8.290 nan 0.000 0.557 1001 L N -1.118 119.875 121.223 -0.384 0.000 2.450 1001 L HA 0.058 4.400 4.340 0.003 0.000 0.224 1001 L C 2.175 178.824 176.870 -0.368 0.000 1.149 1001 L CA 0.579 55.162 54.840 -0.429 0.000 0.816 1001 L CB -0.291 41.609 42.059 -0.266 0.000 0.932 1001 L HN 0.203 nan 8.230 nan 0.000 0.449 1002 F N -1.756 118.077 119.950 -0.195 0.000 2.602 1002 F HA 0.055 4.584 4.527 0.003 0.000 0.284 1002 F C 2.466 178.220 175.800 -0.077 0.000 1.111 1002 F CA 0.164 58.101 58.000 -0.105 0.000 1.405 1002 F CB 0.051 38.955 39.000 -0.161 0.000 1.121 1002 F HN -0.140 nan 8.300 nan 0.000 0.603 1003 S N 1.337 117.056 115.700 0.031 0.000 2.380 1003 S HA -0.132 4.340 4.470 0.003 0.000 0.213 1003 S C 1.581 176.165 174.600 -0.026 0.000 1.037 1003 S CA 1.309 59.500 58.200 -0.016 0.000 1.034 1003 S CB -0.864 62.285 63.200 -0.085 0.000 1.022 1003 S HN 0.366 nan 8.310 nan 0.000 0.418 1004 L N 2.642 123.796 121.223 -0.115 0.000 2.855 1004 L HA 0.342 4.684 4.340 0.003 0.000 0.245 1004 L C 1.004 177.897 176.870 0.039 0.000 1.276 1004 L CA -0.204 54.603 54.840 -0.055 0.000 1.118 1004 L CB -0.918 41.081 42.059 -0.100 0.000 1.444 1004 L HN 0.271 nan 8.230 nan 0.000 0.440 1005 N N 0.648 119.407 118.700 0.097 0.000 2.461 1005 N HA -0.174 4.568 4.740 0.003 0.000 0.188 1005 N C 0.941 176.632 175.510 0.302 0.000 1.134 1005 N CA 0.449 53.685 53.050 0.310 0.000 0.878 1005 N CB 0.331 38.952 38.487 0.224 0.000 0.972 1005 N HN 0.753 nan 8.380 nan 0.000 0.456 1006 Q N -0.064 119.865 119.800 0.215 0.000 2.084 1006 Q HA 0.121 4.463 4.340 0.003 0.000 0.230 1006 Q C -1.407 174.679 176.000 0.144 0.000 0.806 1006 Q CA -0.183 55.718 55.803 0.163 0.000 1.083 1006 Q CB 0.448 29.252 28.738 0.110 0.000 1.208 1006 Q HN 0.102 nan 8.270 nan 0.000 0.462 1007 D N 0.412 120.925 120.400 0.188 0.000 2.468 1007 D HA 0.119 4.761 4.640 0.003 0.000 0.272 1007 D C 1.104 177.531 176.300 0.212 0.000 1.221 1007 D CA -0.293 53.800 54.000 0.155 0.000 0.860 1007 D CB 0.221 41.089 40.800 0.113 0.000 1.190 1007 D HN 0.411 nan 8.370 nan 0.000 0.509 1008 I N -0.639 120.032 120.570 0.169 0.000 2.315 1008 I HA -0.027 4.145 4.170 0.003 0.000 0.251 1008 I C -0.959 175.242 176.117 0.139 0.000 1.125 1008 I CA 0.457 61.838 61.300 0.135 0.000 1.392 1008 I CB -1.607 36.411 38.000 0.030 0.000 1.065 1008 I HN 0.144 nan 8.210 nan 0.000 0.424 1009 P HA -0.113 nan 4.420 nan 0.000 0.215 1009 P C 1.773 179.151 177.300 0.130 0.000 1.157 1009 P CA 2.268 65.425 63.100 0.095 0.000 0.863 1009 P CB 0.025 31.767 31.700 0.070 0.000 0.787 1010 A N -1.755 121.153 122.820 0.146 0.000 1.930 1010 A HA -0.080 4.242 4.320 0.003 0.000 0.215 1010 A C 2.127 179.850 177.584 0.232 0.000 1.176 1010 A CA 0.690 52.817 52.037 0.149 0.000 0.632 1010 A CB -1.733 17.326 19.000 0.098 0.000 0.819 1010 A HN 0.117 nan 8.150 nan 0.000 0.445 1011 F N 1.075 121.084 119.950 0.098 0.000 2.095 1011 F HA -0.274 4.255 4.527 0.003 0.000 0.298 1011 F C 2.405 178.289 175.800 0.141 0.000 1.104 1011 F CA 2.069 60.147 58.000 0.129 0.000 1.232 1011 F CB 0.036 39.087 39.000 0.084 0.000 0.987 1011 F HN 0.267 nan 8.300 nan 0.000 0.475 1012 K N 0.211 120.853 120.400 0.403 0.000 2.103 1012 K HA -0.231 4.091 4.320 0.003 0.000 0.207 1012 K C 1.744 178.484 176.600 0.232 0.000 1.048 1012 K CA 1.853 58.286 56.287 0.244 0.000 0.930 1012 K CB -0.240 32.332 32.500 0.121 0.000 0.716 1012 K HN 0.269 nan 8.250 nan 0.000 0.444 1013 E N -0.110 120.224 120.200 0.223 0.000 2.158 1013 E HA -0.163 4.189 4.350 0.003 0.000 0.191 1013 E C 1.875 178.622 176.600 0.245 0.000 0.982 1013 E CA 0.917 57.431 56.400 0.189 0.000 0.823 1013 E CB -0.220 29.570 29.700 0.150 0.000 0.766 1013 E HN 0.525 nan 8.360 nan 0.000 0.468 1014 H N 0.676 119.852 119.070 0.177 0.000 2.462 1014 H HA 0.068 4.626 4.556 0.003 0.000 0.292 1014 H C 1.973 177.498 175.328 0.328 0.000 1.049 1014 H CA 0.877 57.033 56.048 0.179 0.000 1.334 1014 H CB -0.104 29.671 29.762 0.023 0.000 1.404 1014 H HN 0.034 nan 8.280 nan 0.000 0.544 1015 L N -0.438 120.940 121.223 0.259 0.000 2.023 1015 L HA -0.056 4.286 4.340 0.003 0.000 0.205 1015 L C 2.645 179.653 176.870 0.229 0.000 1.073 1015 L CA 1.131 56.143 54.840 0.286 0.000 0.745 1015 L CB -0.287 41.960 42.059 0.315 0.000 0.900 1015 L HN 0.181 nan 8.230 nan 0.000 0.435 1016 R N -0.144 120.463 120.500 0.179 0.000 2.127 1016 R HA -0.209 4.133 4.340 0.003 0.000 0.238 1016 R C 1.748 178.102 176.300 0.091 0.000 1.134 1016 R CA 1.543 57.714 56.100 0.117 0.000 0.975 1016 R CB -0.310 30.049 30.300 0.099 0.000 0.865 1016 R HN 0.269 nan 8.270 nan 0.000 0.447 1017 D N -0.555 119.923 120.400 0.131 0.000 2.312 1017 D HA -0.135 4.507 4.640 0.003 0.000 0.211 1017 D C 1.168 177.523 176.300 0.092 0.000 0.964 1017 D CA 0.634 54.706 54.000 0.120 0.000 0.877 1017 D CB 0.111 41.036 40.800 0.208 0.000 0.924 1017 D HN 0.133 nan 8.370 nan 0.000 0.515 1018 F N -0.055 119.835 119.950 -0.100 0.000 2.374 1018 F HA 0.101 4.630 4.527 0.003 0.000 0.291 1018 F C 1.666 177.304 175.800 -0.270 0.000 1.084 1018 F CA 0.141 57.970 58.000 -0.285 0.000 1.413 1018 F CB -0.203 38.417 39.000 -0.633 0.000 1.099 1018 F HN -0.081 nan 8.300 nan 0.000 0.534 1019 L N 0.110 121.230 121.223 -0.171 0.000 2.450 1019 L HA -0.030 4.312 4.340 0.003 0.000 0.224 1019 L C 1.618 178.336 176.870 -0.253 0.000 1.149 1019 L CA 1.216 55.914 54.840 -0.237 0.000 0.816 1019 L CB -0.781 41.256 42.059 -0.037 0.000 0.932 1019 L HN 0.100 nan 8.230 nan 0.000 0.449 1020 V N -1.247 118.540 119.914 -0.211 0.000 2.599 1020 V HA -0.143 3.979 4.120 0.003 0.000 0.245 1020 V C 2.303 178.264 176.094 -0.222 0.000 1.046 1020 V CA 1.212 63.411 62.300 -0.169 0.000 1.065 1020 V CB -0.263 31.502 31.823 -0.096 0.000 0.703 1020 V HN 0.468 nan 8.190 nan 0.000 0.464 1021 Q N 0.284 119.904 119.800 -0.299 0.000 2.123 1021 Q HA -0.073 4.269 4.340 0.003 0.000 0.199 1021 Q C 2.227 178.041 176.000 -0.309 0.000 0.966 1021 Q CA 1.859 57.495 55.803 -0.278 0.000 0.845 1021 Q CB -0.244 28.327 28.738 -0.278 0.000 0.907 1021 Q HN 0.829 nan 8.270 nan 0.000 0.439 1022 I N -1.879 118.372 120.570 -0.533 0.000 3.001 1022 I HA -0.092 4.081 4.170 0.003 0.000 0.268 1022 I C 1.254 177.281 176.117 -0.149 0.000 1.267 1022 I CA 0.978 62.027 61.300 -0.419 0.000 1.472 1022 I CB -0.014 37.389 38.000 -0.994 0.000 1.089 1022 I HN -0.055 nan 8.210 nan 0.000 0.468 1023 K N 1.784 122.052 120.400 -0.221 0.000 2.426 1023 K HA 0.085 4.407 4.320 0.003 0.000 0.193 1023 K C 0.008 176.429 176.600 -0.299 0.000 1.028 1023 K CA 0.325 56.487 56.287 -0.209 0.000 1.047 1023 K CB 0.139 32.530 32.500 -0.182 0.000 0.821 1023 K HN 0.666 nan 8.250 nan 0.000 0.513 1024 E N 0.012 120.051 120.200 -0.268 0.000 2.293 1024 E HA 0.222 4.574 4.350 0.003 0.000 0.270 1024 E C -1.044 175.462 176.600 -0.156 0.000 0.879 1024 E CA -0.916 55.291 56.400 -0.322 0.000 0.756 1024 E CB 0.911 30.503 29.700 -0.181 0.000 1.208 1024 E HN -0.225 nan 8.360 nan 0.000 0.428 1025 F N 1.789 121.632 119.950 -0.178 0.000 2.600 1025 F HA 0.285 4.814 4.527 0.003 0.000 0.345 1025 F C 1.242 177.033 175.800 -0.016 0.000 1.271 1025 F CA -1.050 56.888 58.000 -0.104 0.000 1.138 1025 F CB 0.143 39.084 39.000 -0.098 0.000 1.449 1025 F HN 0.781 nan 8.300 nan 0.000 0.645 1026 A N 2.388 125.317 122.820 0.183 0.000 2.264 1026 A HA 0.375 4.697 4.320 0.003 0.000 0.207 1026 A C 1.538 179.185 177.584 0.105 0.000 1.196 1026 A CA 0.649 52.752 52.037 0.109 0.000 0.778 1026 A CB -1.323 17.722 19.000 0.075 0.000 0.779 1026 A HN 1.083 nan 8.150 nan 0.000 0.483 1027 G N -1.042 107.832 108.800 0.124 0.000 2.846 1027 G HA2 -0.227 3.735 3.960 0.003 0.000 0.660 1027 G HA3 -0.227 3.735 3.960 0.003 0.000 0.660 1027 G C 0.292 175.230 174.900 0.063 0.000 1.464 1027 G CA 0.080 45.228 45.100 0.080 0.000 0.891 1027 G HN 0.395 nan 8.290 nan 0.000 0.552 1028 E N 0.219 120.443 120.200 0.040 0.000 2.051 1028 E HA -0.028 4.324 4.350 0.003 0.000 0.192 1028 E C 0.211 176.834 176.600 0.039 0.000 0.991 1028 E CA 1.522 57.942 56.400 0.032 0.000 0.799 1028 E CB 0.053 29.764 29.700 0.017 0.000 0.748 1028 E HN 0.524 nan 8.360 nan 0.000 0.449 1029 D N -1.978 118.446 120.400 0.040 0.000 2.934 1029 D HA 0.249 4.891 4.640 0.003 0.000 0.230 1029 D C -0.247 176.087 176.300 0.056 0.000 1.204 1029 D CA -0.146 53.882 54.000 0.046 0.000 0.873 1029 D CB 2.224 43.047 40.800 0.039 0.000 1.645 1029 D HN -0.150 nan 8.370 nan 0.000 0.502 1030 T N -1.276 113.318 114.554 0.067 0.000 3.421 1030 T HA -0.006 4.346 4.350 0.003 0.000 0.277 1030 T C 0.438 175.196 174.700 0.096 0.000 0.867 1030 T CA 0.387 62.539 62.100 0.086 0.000 0.957 1030 T CB 0.119 69.041 68.868 0.090 0.000 1.225 1030 T HN 0.388 nan 8.240 nan 0.000 0.544 1031 S N 1.635 117.386 115.700 0.085 0.000 3.797 1031 S HA -0.174 4.298 4.470 0.003 0.000 0.374 1031 S C -0.136 174.555 174.600 0.151 0.000 0.970 1031 S CA 1.008 59.271 58.200 0.105 0.000 1.177 1031 S CB -1.300 61.960 63.200 0.099 0.000 0.891 1031 S HN 0.493 nan 8.310 nan 0.000 0.491 1032 D N 0.210 120.652 120.400 0.070 0.000 2.441 1032 D HA 0.221 4.863 4.640 0.003 0.000 0.210 1032 D C 1.392 177.420 176.300 -0.454 0.000 1.102 1032 D CA 0.016 53.975 54.000 -0.068 0.000 0.840 1032 D CB 0.114 40.884 40.800 -0.051 0.000 0.990 1032 D HN 0.474 nan 8.370 nan 0.000 0.505 1033 L N 0.332 121.452 121.223 -0.171 0.000 2.549 1033 L HA 0.127 4.469 4.340 0.003 0.000 0.229 1033 L C -0.211 176.628 176.870 -0.052 0.000 1.158 1033 L CA 0.813 55.559 54.840 -0.157 0.000 0.842 1033 L CB -1.064 40.993 42.059 -0.003 0.000 0.952 1033 L HN 0.056 nan 8.230 nan 0.000 0.452 1034 F N -1.723 118.234 119.950 0.012 0.000 2.688 1034 F HA -0.316 4.213 4.527 0.003 0.000 0.276 1034 F C 1.301 177.105 175.800 0.007 0.000 1.034 1034 F CA -0.149 57.845 58.000 -0.011 0.000 0.991 1034 F CB -1.708 37.272 39.000 -0.034 0.000 1.119 1034 F HN 0.080 nan 8.300 nan 0.000 0.837 1035 L N 0.439 121.775 121.223 0.188 0.000 1.971 1035 L HA -0.251 4.091 4.340 0.003 0.000 0.215 1035 L C 2.172 179.095 176.870 0.089 0.000 1.072 1035 L CA 2.282 57.192 54.840 0.116 0.000 0.758 1035 L CB -0.511 41.601 42.059 0.088 0.000 0.889 1035 L HN 0.425 nan 8.230 nan 0.000 0.433 1036 E N -0.147 120.093 120.200 0.067 0.000 2.396 1036 E HA -0.218 4.134 4.350 0.003 0.000 0.200 1036 E C 1.865 178.485 176.600 0.033 0.000 1.023 1036 E CA 0.989 57.409 56.400 0.033 0.000 0.857 1036 E CB -0.019 29.684 29.700 0.005 0.000 0.775 1036 E HN 0.552 nan 8.360 nan 0.000 0.525 1037 E N 0.128 120.367 120.200 0.066 0.000 2.162 1037 E HA -0.014 4.338 4.350 0.003 0.000 0.193 1037 E C 1.833 178.479 176.600 0.077 0.000 0.953 1037 E CA 0.416 56.858 56.400 0.069 0.000 0.849 1037 E CB 0.097 29.861 29.700 0.106 0.000 0.810 1037 E HN -0.094 nan 8.360 nan 0.000 0.470 1038 R N 0.930 121.489 120.500 0.098 0.000 2.236 1038 R HA 0.046 4.388 4.340 0.003 0.000 0.208 1038 R C 1.783 178.106 176.300 0.039 0.000 1.036 1038 R CA 0.981 57.127 56.100 0.076 0.000 1.001 1038 R CB 0.108 30.469 30.300 0.103 0.000 0.896 1038 R HN 0.194 nan 8.270 nan 0.000 0.464 1039 E N -1.033 119.191 120.200 0.040 0.000 2.075 1039 E HA -0.082 4.270 4.350 0.003 0.000 0.190 1039 E C 0.883 177.487 176.600 0.007 0.000 0.969 1039 E CA 1.387 57.798 56.400 0.019 0.000 0.815 1039 E CB 0.121 29.836 29.700 0.026 0.000 0.776 1039 E HN 0.417 nan 8.360 nan 0.000 0.457 1040 T N -1.878 112.683 114.554 0.013 0.000 3.227 1040 T HA 0.184 4.536 4.350 0.003 0.000 0.257 1040 T C 1.269 175.973 174.700 0.007 0.000 1.162 1040 T CA 0.572 62.677 62.100 0.008 0.000 1.051 1040 T CB 0.426 69.299 68.868 0.008 0.000 0.953 1040 T HN 0.170 nan 8.240 nan 0.000 0.535 1041 A N 0.699 123.522 122.820 0.005 0.000 2.085 1041 A HA 0.513 4.835 4.320 0.003 0.000 0.208 1041 A C 2.108 179.676 177.584 -0.027 0.000 1.191 1041 A CA -0.081 51.956 52.037 -0.001 0.000 0.799 1041 A CB -0.149 18.858 19.000 0.011 0.000 0.877 1041 A HN 0.495 nan 8.150 nan 0.000 0.473 1042 L N -0.887 120.309 121.223 -0.045 0.000 2.209 1042 L HA 0.066 4.408 4.340 0.003 0.000 0.207 1042 L C 2.583 179.428 176.870 -0.041 0.000 1.094 1042 L CA 1.145 55.939 54.840 -0.078 0.000 0.790 1042 L CB -0.341 41.651 42.059 -0.111 0.000 0.932 1042 L HN 0.453 nan 8.230 nan 0.000 0.447 1043 R N -0.017 120.471 120.500 -0.020 0.000 2.153 1043 R HA -0.115 4.227 4.340 0.003 0.000 0.218 1043 R C 2.247 178.550 176.300 0.006 0.000 1.072 1043 R CA 0.773 56.870 56.100 -0.005 0.000 0.990 1043 R CB 0.021 30.319 30.300 -0.002 0.000 0.889 1043 R HN 0.229 nan 8.270 nan 0.000 0.452 1044 Q N -0.134 119.668 119.800 0.003 0.000 2.369 1044 Q HA -0.010 4.332 4.340 0.003 0.000 0.206 1044 Q C 1.303 177.314 176.000 0.017 0.000 0.963 1044 Q CA 1.322 57.132 55.803 0.012 0.000 0.894 1044 Q CB 0.499 29.244 28.738 0.012 0.000 0.965 1044 Q HN 0.495 nan 8.270 nan 0.000 0.475 1045 A N -0.406 122.418 122.820 0.006 0.000 1.942 1045 A HA -0.069 4.253 4.320 0.003 0.000 0.209 1045 A C 1.891 179.489 177.584 0.024 0.000 1.214 1045 A CA 0.790 52.833 52.037 0.011 0.000 0.686 1045 A CB -0.222 18.769 19.000 -0.016 0.000 0.871 1045 A HN 0.252 nan 8.150 nan 0.000 0.460 1046 Q N 0.272 120.082 119.800 0.017 0.000 2.226 1046 Q HA -0.124 4.218 4.340 0.003 0.000 0.204 1046 Q C 1.584 177.626 176.000 0.071 0.000 0.975 1046 Q CA 1.735 57.559 55.803 0.035 0.000 0.866 1046 Q CB -0.140 28.611 28.738 0.022 0.000 0.915 1046 Q HN 0.555 nan 8.270 nan 0.000 0.440 1047 E N -0.464 119.779 120.200 0.072 0.000 2.479 1047 E HA -0.044 4.308 4.350 0.003 0.000 0.193 1047 E C 0.460 177.142 176.600 0.136 0.000 1.049 1047 E CA 0.166 56.633 56.400 0.110 0.000 0.870 1047 E CB 0.421 30.156 29.700 0.057 0.000 0.944 1047 E HN 0.369 nan 8.360 nan 0.000 0.492 1048 E N -0.059 120.200 120.200 0.099 0.000 2.472 1048 E HA 0.049 4.401 4.350 0.003 0.000 0.196 1048 E C 0.857 177.507 176.600 0.083 0.000 1.033 1048 E CA 0.058 56.511 56.400 0.089 0.000 0.886 1048 E CB 0.275 30.010 29.700 0.058 0.000 0.944 1048 E HN 0.143 nan 8.360 nan 0.000 0.492 1049 K N 0.586 121.021 120.400 0.059 0.000 2.611 1049 K HA -0.004 4.318 4.320 0.003 0.000 0.193 1049 K C 0.551 177.063 176.600 -0.146 0.000 1.026 1049 K CA 0.422 56.690 56.287 -0.032 0.000 1.063 1049 K CB 0.126 32.589 32.500 -0.062 0.000 0.839 1049 K HN 0.171 nan 8.250 nan 0.000 0.505 1050 H N 0.000 119.088 119.070 0.030 0.000 2.539 1050 H HA 0.000 4.558 4.556 0.003 0.000 0.296 1050 H CA 0.000 56.064 56.048 0.026 0.000 1.023 1050 H CB 0.000 29.774 29.762 0.021 0.000 1.292 1050 H HN 0.000 nan 8.280 nan 0.000 0.496