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 1bg3_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIAAQLLAYY FTELKDDQVK KIDKYLYAMR LSDEILIDIL TRFKKEMKNG DATA SEQUENCE LSRDYNPTAS VKMLPTFVRS IPDGSEKGDF IALDLGGSSF RILRVQVXXX DATA SEQUENCE XXXNVSMESE IYDTPENIVH GSGTQLFDHV ADCLGDFMEK XXXKDKKLPV DATA SEQUENCE GFTFSFPCRQ SKIDEAVLIT WTKRFKASGV EGADVVKLLN KAIKKRGDYD DATA SEQUENCE ANIVAVVNDT VGTMMTCGYD DQQCEVGLII GTGTNACYME ELRHIDLVEG DATA SEQUENCE DEGRMCINTE WGAFGDDGSL EDIRTEFDRE LDRGSLNPGK QLFEKMVSGM DATA SEQUENCE YMGELVRLIL VKMAKEGLLF EGRITPELLT RGKFNTSDVS AIEKDKEGIQ DATA SEQUENCE NAKEILTRLG VEPSDVDCVS VQHICTIVSF RSANLVAATL GAILNRLRDN DATA SEQUENCE KGTPRLRTTV GVDGSLYKMH PQYSRRFHKT LRRLVPDSDV RFLLSESGTG DATA SEQUENCE KGAAMVTAVA YRLAEQHRQI EETLAHFRLS KQTLMEVKKR LRTEMEMGLR DATA SEQUENCE KETNSKATVK MLPSFVRSIP DGTEHGDFLA LDLGGTNFRV LLVKIRSGKK DATA SEQUENCE RTVEMHNKIY SIPLEIMQGT GDELFDHIVS CISDFLDYMG IKGPRMPLGF DATA SEQUENCE TFSFPCHQTN LDCGILISWT KGFKATDCEG HDVASLLRDA VKRREEFDLD DATA SEQUENCE VVAVVNDTVG TMMTCAYEEP TCEIGLIVGT GTNACYMEEM KNVEMVEGNQ DATA SEQUENCE GQMCINMEWG AFGDNGCLDD IRTDFDKVVD EYSLNSGKQR FEKMISGMYL DATA SEQUENCE GEIVRNILID FTKKGFLFRG QISEPLKTRG IFETKFLSQI ESDRLALLQV DATA SEQUENCE RAILQQLGLN STCDDSILVK TVCGVVSKRA AQLCGAGMAA VVEKIRENRG DATA SEQUENCE LDHLNVTVGV DGTLYKLHPH FSRIMHQTVK ELSPKCTVSF LLSEDGSGKG DATA SEQUENCE AALITAVGVR L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.009 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.605 32.600 0.009 0.000 1.302 2 I N 0.572 121.146 120.570 0.006 0.000 2.530 2 I HA 0.356 4.525 4.170 -0.001 0.000 0.257 2 I C 2.467 178.586 176.117 0.004 0.000 1.179 2 I CA 2.912 64.215 61.300 0.005 0.000 1.440 2 I CB -1.901 36.100 38.000 0.002 0.000 1.087 2 I HN 1.291 nan 8.210 nan 0.000 0.440 3 A N 0.433 123.254 122.820 0.001 0.000 1.832 3 A HA 0.178 4.497 4.320 -0.001 0.000 0.214 3 A C 2.816 180.404 177.584 0.006 0.000 1.200 3 A CA 2.183 54.218 52.037 -0.004 0.000 0.610 3 A CB -1.328 17.669 19.000 -0.006 0.000 0.842 3 A HN 1.365 nan 8.150 nan 0.000 0.444 4 A N -1.382 121.448 122.820 0.017 0.000 1.883 4 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 4 A C 2.475 180.087 177.584 0.047 0.000 1.186 4 A CA 3.083 55.141 52.037 0.035 0.000 0.624 4 A CB -1.366 17.655 19.000 0.035 0.000 0.822 4 A HN 0.922 nan 8.150 nan 0.000 0.444 5 Q N -0.503 119.318 119.800 0.035 0.000 2.045 5 Q HA -0.163 4.176 4.340 -0.001 0.000 0.206 5 Q C 2.181 178.207 176.000 0.044 0.000 0.991 5 Q CA 1.832 57.657 55.803 0.037 0.000 0.851 5 Q CB -1.096 27.657 28.738 0.024 0.000 0.911 5 Q HN 0.536 nan 8.270 nan 0.000 0.418 6 L N -0.167 121.074 121.223 0.031 0.000 2.043 6 L HA -0.165 4.174 4.340 -0.001 0.000 0.212 6 L C 2.585 179.486 176.870 0.051 0.000 1.075 6 L CA 2.306 57.162 54.840 0.027 0.000 0.752 6 L CB -0.983 41.076 42.059 0.000 0.000 0.891 6 L HN 0.593 nan 8.230 nan 0.000 0.432 7 L N -0.116 121.141 121.223 0.056 0.000 2.056 7 L HA -0.066 4.274 4.340 -0.001 0.000 0.207 7 L C 2.605 179.586 176.870 0.185 0.000 1.078 7 L CA 1.947 56.846 54.840 0.098 0.000 0.749 7 L CB -0.783 41.324 42.059 0.080 0.000 0.901 7 L HN 0.197 nan 8.230 nan 0.000 0.433 8 A N -1.382 121.535 122.820 0.162 0.000 1.940 8 A HA -0.263 4.056 4.320 -0.001 0.000 0.219 8 A C 2.526 180.190 177.584 0.134 0.000 1.176 8 A CA 2.285 54.426 52.037 0.172 0.000 0.631 8 A CB -1.709 17.355 19.000 0.107 0.000 0.814 8 A HN 0.649 nan 8.150 nan 0.000 0.446 9 Y N -2.373 117.987 120.300 0.100 0.000 2.571 9 Y HA 0.044 4.593 4.550 -0.001 0.000 0.294 9 Y C 2.124 178.075 175.900 0.084 0.000 1.141 9 Y CA 1.436 59.580 58.100 0.073 0.000 1.308 9 Y CB -0.994 37.499 38.460 0.055 0.000 1.002 9 Y HN 0.642 nan 8.280 nan 0.000 0.551 10 Y N -1.666 118.613 120.300 -0.035 0.000 2.301 10 Y HA 0.065 4.614 4.550 -0.001 0.000 0.295 10 Y C 1.881 177.730 175.900 -0.086 0.000 1.126 10 Y CA 0.678 58.712 58.100 -0.109 0.000 1.154 10 Y CB -0.921 37.405 38.460 -0.224 0.000 1.075 10 Y HN 0.161 nan 8.280 nan 0.000 0.534 11 F N 1.203 120.938 119.950 -0.358 0.000 2.171 11 F HA -0.145 4.381 4.527 -0.001 0.000 0.300 11 F C 2.448 178.090 175.800 -0.264 0.000 1.090 11 F CA 1.984 59.733 58.000 -0.418 0.000 1.293 11 F CB -1.068 37.823 39.000 -0.182 0.000 1.013 11 F HN 0.043 nan 8.300 nan 0.000 0.486 12 T N -0.765 113.812 114.554 0.038 0.000 2.684 12 T HA -0.261 4.088 4.350 -0.001 0.000 0.267 12 T C 1.788 176.463 174.700 -0.042 0.000 1.036 12 T CA 1.707 63.806 62.100 -0.002 0.000 1.148 12 T CB -0.340 68.533 68.868 0.008 0.000 0.863 12 T HN 0.164 nan 8.240 nan 0.000 0.436 13 E N 1.093 121.258 120.200 -0.059 0.000 2.023 13 E HA -0.119 4.230 4.350 -0.001 0.000 0.196 13 E C 2.045 178.588 176.600 -0.095 0.000 1.003 13 E CA 0.978 57.341 56.400 -0.062 0.000 0.809 13 E CB -0.743 28.932 29.700 -0.041 0.000 0.755 13 E HN 0.284 nan 8.360 nan 0.000 0.449 14 L N 1.006 122.116 121.223 -0.189 0.000 2.043 14 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 14 L C 2.374 179.190 176.870 -0.090 0.000 1.075 14 L CA 2.172 56.902 54.840 -0.183 0.000 0.752 14 L CB -0.604 41.229 42.059 -0.377 0.000 0.891 14 L HN 0.169 nan 8.230 nan 0.000 0.432 15 K N -0.736 119.622 120.400 -0.070 0.000 1.973 15 K HA -0.212 4.107 4.320 -0.001 0.000 0.212 15 K C 1.790 178.328 176.600 -0.102 0.000 1.047 15 K CA 1.850 58.089 56.287 -0.079 0.000 0.937 15 K CB -0.318 32.134 32.500 -0.079 0.000 0.721 15 K HN 0.248 nan 8.250 nan 0.000 0.440 16 D N 0.710 121.057 120.400 -0.088 0.000 2.303 16 D HA -0.280 4.359 4.640 -0.001 0.000 0.190 16 D C 1.919 178.174 176.300 -0.075 0.000 1.011 16 D CA 2.446 56.397 54.000 -0.081 0.000 0.860 16 D CB -0.965 39.803 40.800 -0.054 0.000 0.961 16 D HN 0.595 nan 8.370 nan 0.000 0.453 17 D N 0.146 120.512 120.400 -0.058 0.000 2.133 17 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 17 D C 1.968 178.238 176.300 -0.049 0.000 0.997 17 D CA 1.686 55.659 54.000 -0.044 0.000 0.840 17 D CB -0.496 40.282 40.800 -0.035 0.000 0.947 17 D HN 0.134 nan 8.370 nan 0.000 0.452 18 Q N -0.294 119.467 119.800 -0.065 0.000 2.083 18 Q HA -0.017 4.322 4.340 -0.001 0.000 0.198 18 Q C 2.833 178.789 176.000 -0.073 0.000 0.969 18 Q CA 0.919 56.682 55.803 -0.065 0.000 0.838 18 Q CB -0.376 28.322 28.738 -0.067 0.000 0.900 18 Q HN 0.537 nan 8.270 nan 0.000 0.436 19 V N 2.078 121.905 119.914 -0.145 0.000 2.278 19 V HA -0.369 3.751 4.120 -0.001 0.000 0.251 19 V C 2.832 178.897 176.094 -0.048 0.000 1.062 19 V CA 2.912 65.075 62.300 -0.228 0.000 1.038 19 V CB -1.172 30.386 31.823 -0.441 0.000 0.646 19 V HN 0.498 nan 8.190 nan 0.000 0.447 20 K N 0.212 120.592 120.400 -0.035 0.000 2.001 20 K HA -0.318 4.001 4.320 -0.001 0.000 0.214 20 K C 2.378 179.001 176.600 0.038 0.000 1.050 20 K CA 3.047 59.340 56.287 0.009 0.000 0.934 20 K CB -1.475 31.024 32.500 -0.001 0.000 0.718 20 K HN 0.607 nan 8.250 nan 0.000 0.443 21 K N 0.906 121.321 120.400 0.024 0.000 2.044 21 K HA -0.056 4.263 4.320 -0.001 0.000 0.210 21 K C 2.370 179.019 176.600 0.082 0.000 1.049 21 K CA 1.925 58.236 56.287 0.040 0.000 0.927 21 K CB -0.903 31.600 32.500 0.005 0.000 0.713 21 K HN 0.593 nan 8.250 nan 0.000 0.443 22 I N 0.914 121.533 120.570 0.082 0.000 2.252 22 I HA -0.196 3.973 4.170 -0.001 0.000 0.245 22 I C 1.990 178.213 176.117 0.176 0.000 1.102 22 I CA 1.243 62.620 61.300 0.129 0.000 1.385 22 I CB -0.382 37.712 38.000 0.157 0.000 1.064 22 I HN 0.280 nan 8.210 nan 0.000 0.414 23 D N 1.536 122.041 120.400 0.175 0.000 2.182 23 D HA -0.191 4.448 4.640 -0.001 0.000 0.201 23 D C 2.356 178.717 176.300 0.101 0.000 0.986 23 D CA 1.884 55.967 54.000 0.138 0.000 0.847 23 D CB -0.129 40.755 40.800 0.140 0.000 0.942 23 D HN 0.395 nan 8.370 nan 0.000 0.467 24 K N -0.198 120.266 120.400 0.107 0.000 2.365 24 K HA -0.069 4.251 4.320 -0.001 0.000 0.197 24 K C 1.897 178.562 176.600 0.109 0.000 1.042 24 K CA 0.530 56.869 56.287 0.086 0.000 0.987 24 K CB -0.869 31.675 32.500 0.074 0.000 0.779 24 K HN 0.294 nan 8.250 nan 0.000 0.484 25 Y N 0.238 120.553 120.300 0.025 0.000 2.231 25 Y HA 0.265 4.814 4.550 -0.001 0.000 0.294 25 Y C 1.271 177.200 175.900 0.048 0.000 1.120 25 Y CA 0.965 59.084 58.100 0.033 0.000 1.141 25 Y CB 0.484 38.959 38.460 0.024 0.000 1.022 25 Y HN 0.051 nan 8.280 nan 0.000 0.523 26 L N 0.255 121.577 121.223 0.166 0.000 3.036 26 L HA 0.144 4.483 4.340 -0.001 0.000 0.237 26 L C 1.788 178.675 176.870 0.028 0.000 1.319 26 L CA 0.007 54.895 54.840 0.080 0.000 1.112 26 L CB -1.177 40.927 42.059 0.074 0.000 1.480 26 L HN 0.392 nan 8.230 nan 0.000 0.506 27 Y N 0.125 120.430 120.300 0.009 0.000 2.274 27 Y HA -0.158 4.392 4.550 -0.001 0.000 0.290 27 Y C 2.378 178.268 175.900 -0.015 0.000 1.145 27 Y CA 1.472 59.570 58.100 -0.003 0.000 1.203 27 Y CB -0.526 37.928 38.460 -0.010 0.000 0.984 27 Y HN 0.513 nan 8.280 nan 0.000 0.533 28 A N -0.408 122.404 122.820 -0.013 0.000 2.070 28 A HA -0.059 4.260 4.320 -0.001 0.000 0.220 28 A C 1.871 179.449 177.584 -0.011 0.000 1.159 28 A CA 1.591 53.621 52.037 -0.011 0.000 0.656 28 A CB -0.533 18.470 19.000 0.004 0.000 0.800 28 A HN 0.726 nan 8.150 nan 0.000 0.453 29 M N -0.225 119.368 119.600 -0.011 0.000 2.655 29 M HA 0.149 4.628 4.480 -0.001 0.000 0.311 29 M C 0.662 176.927 176.300 -0.059 0.000 1.229 29 M CA 0.098 55.379 55.300 -0.032 0.000 0.972 29 M CB 0.306 32.887 32.600 -0.032 0.000 1.366 29 M HN 0.322 nan 8.290 nan 0.000 0.500 30 R N 1.787 122.251 120.500 -0.060 0.000 2.402 30 R HA 0.600 4.939 4.340 -0.001 0.000 0.290 30 R C -0.913 175.329 176.300 -0.096 0.000 1.321 30 R CA -0.318 55.731 56.100 -0.086 0.000 1.283 30 R CB -0.354 29.914 30.300 -0.054 0.000 1.111 30 R HN 0.389 nan 8.270 nan 0.000 0.578 31 L N 2.453 123.601 121.223 -0.126 0.000 2.407 31 L HA 0.259 4.598 4.340 -0.001 0.000 0.282 31 L C 1.153 177.946 176.870 -0.129 0.000 1.110 31 L CA -0.381 54.392 54.840 -0.112 0.000 0.863 31 L CB 1.304 43.301 42.059 -0.104 0.000 1.207 31 L HN 0.689 nan 8.230 nan 0.000 0.454 32 S N 1.742 117.387 115.700 -0.091 0.000 2.576 32 S HA -0.033 4.436 4.470 -0.001 0.000 0.272 32 S C 0.971 175.525 174.600 -0.077 0.000 1.352 32 S CA -0.382 57.770 58.200 -0.081 0.000 1.021 32 S CB 0.833 64.002 63.200 -0.053 0.000 0.887 32 S HN 0.655 nan 8.310 nan 0.000 0.542 33 D N 1.274 121.633 120.400 -0.069 0.000 2.149 33 D HA -0.128 4.511 4.640 -0.001 0.000 0.198 33 D C 2.089 178.367 176.300 -0.037 0.000 0.990 33 D CA 1.836 55.803 54.000 -0.055 0.000 0.839 33 D CB -0.191 40.583 40.800 -0.044 0.000 0.948 33 D HN 0.862 nan 8.370 nan 0.000 0.460 34 E N 0.704 120.885 120.200 -0.032 0.000 2.085 34 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 34 E C 2.154 178.742 176.600 -0.020 0.000 0.994 34 E CA 0.927 57.313 56.400 -0.022 0.000 0.801 34 E CB -0.533 29.155 29.700 -0.020 0.000 0.743 34 E HN 0.324 nan 8.360 nan 0.000 0.453 35 I N 1.152 121.706 120.570 -0.026 0.000 2.315 35 I HA -0.223 3.946 4.170 -0.001 0.000 0.248 35 I C 2.622 178.730 176.117 -0.013 0.000 1.117 35 I CA 0.858 62.146 61.300 -0.021 0.000 1.404 35 I CB -0.255 37.726 38.000 -0.032 0.000 1.071 35 I HN 0.125 nan 8.210 nan 0.000 0.419 36 L N 0.246 121.455 121.223 -0.025 0.000 2.131 36 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 36 L C 2.520 179.390 176.870 -0.000 0.000 1.092 36 L CA 0.884 55.714 54.840 -0.016 0.000 0.759 36 L CB -0.418 41.619 42.059 -0.036 0.000 0.903 36 L HN 0.256 nan 8.230 nan 0.000 0.435 37 I N -0.041 120.526 120.570 -0.005 0.000 2.286 37 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 37 I C 2.356 178.479 176.117 0.011 0.000 1.104 37 I CA 1.347 62.647 61.300 0.000 0.000 1.397 37 I CB -1.034 36.962 38.000 -0.006 0.000 1.072 37 I HN 0.309 nan 8.210 nan 0.000 0.417 38 D N 1.369 121.775 120.400 0.011 0.000 2.104 38 D HA -0.181 4.459 4.640 -0.001 0.000 0.194 38 D C 2.232 178.562 176.300 0.050 0.000 0.994 38 D CA 1.411 55.424 54.000 0.021 0.000 0.830 38 D CB -0.075 40.733 40.800 0.013 0.000 0.959 38 D HN 0.349 nan 8.370 nan 0.000 0.452 39 I N 0.464 121.071 120.570 0.061 0.000 2.315 39 I HA -0.190 3.979 4.170 -0.001 0.000 0.248 39 I C 2.681 178.867 176.117 0.116 0.000 1.117 39 I CA 0.386 61.760 61.300 0.122 0.000 1.404 39 I CB -0.226 37.840 38.000 0.111 0.000 1.071 39 I HN 0.077 nan 8.210 nan 0.000 0.419 40 L N 0.286 121.544 121.223 0.060 0.000 2.046 40 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 40 L C 2.524 179.424 176.870 0.050 0.000 1.077 40 L CA 1.709 56.579 54.840 0.051 0.000 0.747 40 L CB -0.341 41.734 42.059 0.027 0.000 0.896 40 L HN 0.182 nan 8.230 nan 0.000 0.432 41 T N -0.424 114.148 114.554 0.031 0.000 2.821 41 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 41 T C 1.912 176.612 174.700 -0.000 0.000 1.046 41 T CA 1.231 63.334 62.100 0.005 0.000 1.139 41 T CB -0.125 68.743 68.868 -0.001 0.000 0.871 41 T HN 0.384 nan 8.240 nan 0.000 0.454 42 R N -0.041 120.489 120.500 0.050 0.000 2.092 42 R HA 0.011 4.350 4.340 -0.001 0.000 0.231 42 R C 2.139 178.418 176.300 -0.036 0.000 1.119 42 R CA 1.076 57.216 56.100 0.067 0.000 0.970 42 R CB -0.474 29.957 30.300 0.218 0.000 0.864 42 R HN 0.301 nan 8.270 nan 0.000 0.440 43 F N 2.225 121.997 119.950 -0.297 0.000 2.134 43 F HA -0.151 4.375 4.527 -0.001 0.000 0.299 43 F C 2.205 177.787 175.800 -0.364 0.000 1.097 43 F CA 1.424 59.052 58.000 -0.619 0.000 1.264 43 F CB -0.145 38.477 39.000 -0.629 0.000 1.001 43 F HN -0.207 nan 8.300 nan 0.000 0.479 44 K N 0.315 120.564 120.400 -0.252 0.000 2.103 44 K HA -0.233 4.087 4.320 -0.001 0.000 0.207 44 K C 2.377 178.809 176.600 -0.281 0.000 1.048 44 K CA 1.418 57.546 56.287 -0.266 0.000 0.930 44 K CB -0.190 32.231 32.500 -0.131 0.000 0.716 44 K HN 0.130 nan 8.250 nan 0.000 0.444 45 K N 0.732 120.994 120.400 -0.230 0.000 2.025 45 K HA -0.152 4.167 4.320 -0.001 0.000 0.207 45 K C 1.523 177.971 176.600 -0.254 0.000 1.049 45 K CA 1.357 57.522 56.287 -0.203 0.000 0.933 45 K CB 0.097 32.514 32.500 -0.137 0.000 0.714 45 K HN 0.131 nan 8.250 nan 0.000 0.438 46 E N 0.475 120.481 120.200 -0.324 0.000 2.204 46 E HA -0.152 4.197 4.350 -0.001 0.000 0.195 46 E C 2.044 178.420 176.600 -0.374 0.000 0.990 46 E CA 0.995 57.200 56.400 -0.325 0.000 0.821 46 E CB -0.104 29.361 29.700 -0.390 0.000 0.750 46 E HN 0.451 nan 8.360 nan 0.000 0.477 47 M N 0.339 119.626 119.600 -0.522 0.000 2.156 47 M HA -0.133 4.346 4.480 -0.001 0.000 0.264 47 M C 2.433 178.602 176.300 -0.220 0.000 1.067 47 M CA 1.089 56.139 55.300 -0.416 0.000 1.131 47 M CB -0.074 32.230 32.600 -0.495 0.000 1.368 47 M HN -0.135 nan 8.290 nan 0.000 0.416 48 K N 0.401 120.675 120.400 -0.210 0.000 2.032 48 K HA -0.106 4.213 4.320 -0.001 0.000 0.209 48 K C 1.554 178.109 176.600 -0.074 0.000 1.048 48 K CA 1.590 57.796 56.287 -0.135 0.000 0.927 48 K CB -1.115 31.297 32.500 -0.146 0.000 0.712 48 K HN 0.428 nan 8.250 nan 0.000 0.441 49 N N 0.224 118.863 118.700 -0.102 0.000 2.205 49 N HA -0.075 4.665 4.740 -0.001 0.000 0.186 49 N C 1.855 177.389 175.510 0.041 0.000 1.015 49 N CA 1.453 54.496 53.050 -0.012 0.000 0.862 49 N CB -0.763 37.680 38.487 -0.074 0.000 0.986 49 N HN 0.491 nan 8.380 nan 0.000 0.429 50 G N 0.092 108.880 108.800 -0.020 0.000 2.430 50 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.216 50 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.216 50 G C 1.554 176.458 174.900 0.007 0.000 1.146 50 G CA 0.154 45.253 45.100 -0.002 0.000 0.793 50 G HN 0.224 nan 8.290 nan 0.000 0.537 51 L N 0.618 121.840 121.223 -0.002 0.000 2.131 51 L HA 0.121 4.460 4.340 -0.001 0.000 0.206 51 L C 1.814 178.702 176.870 0.031 0.000 1.087 51 L CA 0.154 54.998 54.840 0.007 0.000 0.767 51 L CB -0.212 41.848 42.059 0.002 0.000 0.917 51 L HN 0.197 nan 8.230 nan 0.000 0.441 52 S N 0.230 115.966 115.700 0.060 0.000 2.515 52 S HA 0.140 4.609 4.470 -0.001 0.000 0.285 52 S C 1.412 176.045 174.600 0.056 0.000 1.265 52 S CA 0.299 58.554 58.200 0.093 0.000 1.079 52 S CB 1.221 64.558 63.200 0.228 0.000 0.877 52 S HN 0.295 nan 8.310 nan 0.000 0.493 53 R N 3.948 124.453 120.500 0.009 0.000 2.152 53 R HA -0.074 4.265 4.340 -0.001 0.000 0.232 53 R C 1.644 177.897 176.300 -0.079 0.000 1.117 53 R CA 1.992 58.079 56.100 -0.022 0.000 0.981 53 R CB -1.496 28.789 30.300 -0.025 0.000 0.870 53 R HN 0.858 nan 8.270 nan 0.000 0.451 54 D N -0.824 119.476 120.400 -0.167 0.000 2.117 54 D HA -0.096 4.543 4.640 -0.001 0.000 0.198 54 D C 1.125 177.131 176.300 -0.490 0.000 0.982 54 D CA 1.526 55.282 54.000 -0.407 0.000 0.828 54 D CB 0.036 40.413 40.800 -0.705 0.000 0.967 54 D HN 0.657 nan 8.370 nan 0.000 0.464 55 Y N 0.261 120.557 120.300 -0.008 0.000 2.481 55 Y HA 0.110 4.659 4.550 -0.001 0.000 0.258 55 Y C 1.861 177.758 175.900 -0.006 0.000 1.103 55 Y CA -0.312 57.783 58.100 -0.008 0.000 1.287 55 Y CB -0.402 38.049 38.460 -0.015 0.000 1.108 55 Y HN -0.076 nan 8.280 nan 0.000 0.529 56 N N 1.648 120.414 118.700 0.110 0.000 2.137 56 N HA -0.168 4.572 4.740 -0.001 0.000 0.190 56 N C -1.115 174.427 175.510 0.054 0.000 1.017 56 N CA 1.472 54.563 53.050 0.069 0.000 0.859 56 N CB -0.775 37.736 38.487 0.039 0.000 1.002 56 N HN 0.218 nan 8.380 nan 0.000 0.428 57 P HA -0.056 nan 4.420 nan 0.000 0.219 57 P C 0.605 177.933 177.300 0.046 0.000 1.146 57 P CA 1.575 64.695 63.100 0.033 0.000 0.808 57 P CB -0.159 31.551 31.700 0.016 0.000 0.779 58 T N -5.252 109.340 114.554 0.064 0.000 3.132 58 T HA 0.539 4.888 4.350 -0.001 0.000 0.274 58 T C 0.590 175.335 174.700 0.075 0.000 1.011 58 T CA -0.478 61.662 62.100 0.068 0.000 0.899 58 T CB -0.113 68.799 68.868 0.073 0.000 1.089 58 T HN -0.011 nan 8.240 nan 0.000 0.543 59 A N 1.027 123.892 122.820 0.075 0.000 2.362 59 A HA 0.642 4.961 4.320 -0.001 0.000 0.276 59 A C 1.360 178.988 177.584 0.072 0.000 1.153 59 A CA -0.521 51.556 52.037 0.066 0.000 0.813 59 A CB 0.422 19.455 19.000 0.054 0.000 1.081 59 A HN 0.274 nan 8.150 nan 0.000 0.507 60 S N 1.109 116.863 115.700 0.090 0.000 2.395 60 S HA -0.041 4.429 4.470 -0.001 0.000 0.225 60 S C 0.771 175.453 174.600 0.137 0.000 1.027 60 S CA 0.767 59.041 58.200 0.123 0.000 0.965 60 S CB -0.036 63.262 63.200 0.164 0.000 0.812 60 S HN 0.571 nan 8.310 nan 0.000 0.482 61 V N 3.517 123.497 119.914 0.111 0.000 2.338 61 V HA 0.168 4.287 4.120 -0.001 0.000 0.255 61 V C 0.999 177.127 176.094 0.056 0.000 1.082 61 V CA -0.116 62.245 62.300 0.101 0.000 0.951 61 V CB 0.434 32.250 31.823 -0.011 0.000 1.102 61 V HN 0.314 nan 8.190 nan 0.000 0.489 62 K N 3.499 123.946 120.400 0.079 0.000 2.160 62 K HA -0.130 4.190 4.320 -0.001 0.000 0.206 62 K C 1.009 177.627 176.600 0.031 0.000 1.047 62 K CA 1.034 57.353 56.287 0.054 0.000 0.930 62 K CB -0.127 32.410 32.500 0.061 0.000 0.720 62 K HN 0.586 nan 8.250 nan 0.000 0.450 63 M N 0.001 119.619 119.600 0.030 0.000 2.253 63 M HA -0.210 4.269 4.480 -0.001 0.000 0.199 63 M C -0.819 175.472 176.300 -0.014 0.000 0.342 63 M CA 0.752 56.059 55.300 0.012 0.000 0.417 63 M CB -2.440 30.157 32.600 -0.004 0.000 1.338 63 M HN 0.126 nan 8.290 nan 0.000 0.920 64 L N 1.365 122.584 121.223 -0.005 0.000 2.540 64 L HA 0.038 4.377 4.340 -0.001 0.000 0.276 64 L C -1.542 175.290 176.870 -0.064 0.000 1.212 64 L CA -0.995 53.836 54.840 -0.016 0.000 0.893 64 L CB 0.001 42.064 42.059 0.006 0.000 1.138 64 L HN 0.051 nan 8.230 nan 0.000 0.491 65 P HA 0.133 nan 4.420 nan 0.000 0.287 65 P C -0.376 176.803 177.300 -0.201 0.000 1.294 65 P CA -0.438 62.534 63.100 -0.214 0.000 0.776 65 P CB 1.069 32.603 31.700 -0.276 0.000 0.889 66 T N -0.294 114.131 114.554 -0.216 0.000 2.862 66 T HA 0.414 4.763 4.350 -0.001 0.000 0.276 66 T C 0.031 174.591 174.700 -0.233 0.000 0.974 66 T CA -0.340 61.709 62.100 -0.086 0.000 0.966 66 T CB 0.370 69.197 68.868 -0.069 0.000 1.072 66 T HN 0.039 nan 8.240 nan 0.000 0.538 67 F N 0.574 120.493 119.950 -0.053 0.000 2.983 67 F HA 0.424 4.951 4.527 -0.001 0.000 0.307 67 F C -0.222 175.548 175.800 -0.051 0.000 1.218 67 F CA -0.734 57.234 58.000 -0.053 0.000 1.323 67 F CB 0.424 39.391 39.000 -0.054 0.000 0.989 67 F HN 0.250 nan 8.300 nan 0.000 0.509 68 V N 0.993 120.888 119.914 -0.031 0.000 2.370 68 V HA 0.340 4.459 4.120 -0.001 0.000 0.283 68 V C 0.921 176.972 176.094 -0.071 0.000 1.023 68 V CA -0.549 61.735 62.300 -0.028 0.000 0.857 68 V CB 1.734 33.537 31.823 -0.032 0.000 0.985 68 V HN 0.338 nan 8.190 nan 0.000 0.443 69 R N 2.293 122.766 120.500 -0.045 0.000 2.362 69 R HA 0.274 4.613 4.340 -0.001 0.000 0.227 69 R C 0.220 176.494 176.300 -0.044 0.000 0.905 69 R CA 0.391 56.457 56.100 -0.057 0.000 1.067 69 R CB 0.764 31.041 30.300 -0.038 0.000 1.078 69 R HN 0.813 nan 8.270 nan 0.000 0.516 70 S N -0.196 115.486 115.700 -0.030 0.000 2.586 70 S HA 0.281 4.751 4.470 -0.001 0.000 0.277 70 S C -0.271 174.324 174.600 -0.009 0.000 1.131 70 S CA -1.251 56.937 58.200 -0.020 0.000 0.848 70 S CB 0.859 64.052 63.200 -0.012 0.000 1.091 70 S HN 0.242 nan 8.310 nan 0.000 0.453 71 I N -0.997 119.571 120.570 -0.004 0.000 2.945 71 I HA 0.567 4.736 4.170 -0.001 0.000 0.292 71 I C -2.601 173.531 176.117 0.024 0.000 1.093 71 I CA -2.207 59.099 61.300 0.012 0.000 1.336 71 I CB -0.439 37.567 38.000 0.011 0.000 1.435 71 I HN 0.355 nan 8.210 nan 0.000 0.593 72 P HA -0.031 nan 4.420 nan 0.000 0.264 72 P C -0.552 176.764 177.300 0.027 0.000 1.179 72 P CA 0.273 63.423 63.100 0.084 0.000 0.763 72 P CB 0.302 32.139 31.700 0.227 0.000 0.806 73 D N 1.546 121.963 120.400 0.027 0.000 2.503 73 D HA 0.116 4.755 4.640 -0.001 0.000 0.218 73 D C 1.066 177.360 176.300 -0.010 0.000 1.183 73 D CA 0.260 54.256 54.000 -0.007 0.000 0.827 73 D CB 0.219 41.021 40.800 0.003 0.000 1.034 73 D HN 0.583 nan 8.370 nan 0.000 0.510 74 G N 1.658 110.473 108.800 0.024 0.000 2.195 74 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.246 74 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.246 74 G C 1.169 176.115 174.900 0.076 0.000 0.984 74 G CA 0.588 45.713 45.100 0.042 0.000 0.633 74 G HN 0.532 nan 8.290 nan 0.000 0.525 75 S N -0.097 115.645 115.700 0.071 0.000 2.555 75 S HA 0.242 4.711 4.470 -0.001 0.000 0.230 75 S C 0.644 175.307 174.600 0.106 0.000 0.978 75 S CA 1.124 59.370 58.200 0.076 0.000 0.934 75 S CB 0.186 63.423 63.200 0.062 0.000 0.766 75 S HN 0.575 nan 8.310 nan 0.000 0.533 76 E N 2.080 122.357 120.200 0.128 0.000 2.344 76 E HA 0.604 4.953 4.350 -0.001 0.000 0.270 76 E C -0.000 176.712 176.600 0.187 0.000 1.021 76 E CA 0.301 56.795 56.400 0.157 0.000 0.887 76 E CB 0.599 30.381 29.700 0.137 0.000 0.997 76 E HN 0.523 nan 8.360 nan 0.000 0.429 77 K N 0.888 121.428 120.400 0.233 0.000 2.542 77 K HA 0.799 5.118 4.320 -0.001 0.000 0.259 77 K C -0.151 176.592 176.600 0.239 0.000 0.932 77 K CA -0.481 55.931 56.287 0.209 0.000 0.820 77 K CB 1.562 34.145 32.500 0.137 0.000 1.345 77 K HN 1.001 nan 8.250 nan 0.000 0.432 78 G N 1.127 109.992 108.800 0.110 0.000 2.392 78 G HA2 0.365 4.324 3.960 -0.001 0.000 0.677 78 G HA3 0.365 4.324 3.960 -0.001 0.000 0.677 78 G C -1.793 172.848 174.900 -0.433 0.000 1.334 78 G CA -0.095 44.882 45.100 -0.205 0.000 0.961 78 G HN 1.641 nan 8.290 nan 0.000 0.616 79 D N -0.554 119.489 120.400 -0.595 0.000 2.280 79 D HA 0.723 5.362 4.640 -0.001 0.000 0.236 79 D C -0.230 175.641 176.300 -0.715 0.000 1.082 79 D CA -0.557 53.180 54.000 -0.438 0.000 0.834 79 D CB 0.975 41.662 40.800 -0.187 0.000 1.100 79 D HN 0.349 nan 8.370 nan 0.000 0.486 80 F N 0.447 120.379 119.950 -0.029 0.000 2.639 80 F HA 0.597 5.123 4.527 -0.002 0.000 0.339 80 F C 0.178 175.974 175.800 -0.006 0.000 1.071 80 F CA -1.409 56.570 58.000 -0.034 0.000 0.994 80 F CB 1.113 40.093 39.000 -0.034 0.000 1.341 80 F HN 0.153 nan 8.300 nan 0.000 0.498 81 I N 1.010 121.697 120.570 0.196 0.000 2.509 81 I HA 0.695 4.864 4.170 -0.001 0.000 0.293 81 I C -0.811 175.334 176.117 0.046 0.000 1.020 81 I CA -0.905 60.447 61.300 0.087 0.000 1.088 81 I CB 1.891 39.920 38.000 0.048 0.000 1.267 81 I HN 0.668 nan 8.210 nan 0.000 0.430 82 A N 7.184 129.980 122.820 -0.040 0.000 2.356 82 A HA 0.821 5.140 4.320 -0.001 0.000 0.310 82 A C -1.062 176.471 177.584 -0.086 0.000 1.075 82 A CA -0.504 51.517 52.037 -0.026 0.000 0.746 82 A CB 1.185 20.178 19.000 -0.012 0.000 1.221 82 A HN 0.656 nan 8.150 nan 0.000 0.443 83 L N 2.045 123.275 121.223 0.011 0.000 2.307 83 L HA 0.480 4.819 4.340 -0.001 0.000 0.284 83 L C -0.889 176.136 176.870 0.259 0.000 1.023 83 L CA -0.687 54.187 54.840 0.056 0.000 0.810 83 L CB 1.796 43.826 42.059 -0.048 0.000 1.231 83 L HN 0.664 nan 8.230 nan 0.000 0.423 84 D N 4.089 124.642 120.400 0.254 0.000 2.549 84 D HA 0.518 5.157 4.640 -0.001 0.000 0.251 84 D C -1.562 175.015 176.300 0.461 0.000 1.153 84 D CA -0.254 53.915 54.000 0.282 0.000 0.861 84 D CB 2.028 42.904 40.800 0.127 0.000 1.207 84 D HN 0.245 nan 8.370 nan 0.000 0.543 85 L N 3.021 124.530 121.223 0.476 0.000 2.470 85 L HA 0.702 5.041 4.340 -0.001 0.000 0.268 85 L C 0.598 177.545 176.870 0.129 0.000 0.964 85 L CA 0.257 55.370 54.840 0.455 0.000 0.839 85 L CB 1.901 44.293 42.059 0.556 0.000 1.276 85 L HN 0.567 nan 8.230 nan 0.000 0.403 86 G N 2.305 111.130 108.800 0.041 0.000 2.421 86 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.188 86 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.188 86 G C 0.394 175.211 174.900 -0.138 0.000 1.001 86 G CA 0.042 44.945 45.100 -0.328 0.000 0.693 86 G HN 1.139 nan 8.290 nan 0.000 0.479 87 G N 0.796 109.593 108.800 -0.005 0.000 2.873 87 G HA2 0.450 4.410 3.960 -0.001 0.000 0.170 87 G HA3 0.450 4.410 3.960 -0.001 0.000 0.170 87 G C 1.662 176.615 174.900 0.089 0.000 1.608 87 G CA 1.646 46.751 45.100 0.010 0.000 1.084 87 G HN 1.200 nan 8.290 nan 0.000 0.563 88 S N -1.770 113.974 115.700 0.074 0.000 2.458 88 S HA 0.311 4.780 4.470 -0.001 0.000 0.223 88 S C 0.880 175.548 174.600 0.113 0.000 1.019 88 S CA 0.473 58.718 58.200 0.076 0.000 0.937 88 S CB 0.183 63.407 63.200 0.039 0.000 0.788 88 S HN 0.320 nan 8.310 nan 0.000 0.511 89 S N 0.668 116.451 115.700 0.140 0.000 2.595 89 S HA 0.628 5.097 4.470 -0.001 0.000 0.281 89 S C -1.678 173.089 174.600 0.278 0.000 1.117 89 S CA -0.680 57.628 58.200 0.181 0.000 0.873 89 S CB 1.468 64.735 63.200 0.112 0.000 1.108 89 S HN 0.338 nan 8.310 nan 0.000 0.477 90 F N 3.236 123.282 119.950 0.161 0.000 2.303 90 F HA 0.536 5.062 4.527 -0.002 0.000 0.368 90 F C 0.011 175.916 175.800 0.175 0.000 1.105 90 F CA -0.851 57.255 58.000 0.177 0.000 1.153 90 F CB -0.105 39.015 39.000 0.200 0.000 1.362 90 F HN 0.419 nan 8.300 nan 0.000 0.511 91 R N 5.589 126.009 120.500 -0.134 0.000 2.598 91 R HA 0.707 5.046 4.340 -0.001 0.000 0.279 91 R C -0.987 175.059 176.300 -0.424 0.000 0.984 91 R CA -0.847 55.117 56.100 -0.227 0.000 0.999 91 R CB 2.018 32.269 30.300 -0.082 0.000 1.114 91 R HN 0.586 nan 8.270 nan 0.000 0.493 92 I N 4.216 124.511 120.570 -0.458 0.000 2.468 92 I HA 0.272 4.441 4.170 -0.001 0.000 0.285 92 I C -1.094 174.542 176.117 -0.801 0.000 1.039 92 I CA -0.751 60.115 61.300 -0.722 0.000 1.074 92 I CB 1.399 38.775 38.000 -1.041 0.000 1.228 92 I HN 0.244 nan 8.210 nan 0.000 0.436 93 L N 5.879 126.794 121.223 -0.512 0.000 2.298 93 L HA 0.675 5.014 4.340 -0.001 0.000 0.268 93 L C 0.070 176.880 176.870 -0.099 0.000 1.010 93 L CA -0.725 53.977 54.840 -0.230 0.000 0.812 93 L CB 0.764 42.779 42.059 -0.074 0.000 1.331 93 L HN 0.452 nan 8.230 nan 0.000 0.450 94 R N 0.802 121.392 120.500 0.150 0.000 2.625 94 R HA 0.524 4.863 4.340 -0.001 0.000 0.286 94 R C -1.909 174.474 176.300 0.139 0.000 1.406 94 R CA -0.273 55.955 56.100 0.212 0.000 1.052 94 R CB 1.184 31.694 30.300 0.350 0.000 1.203 94 R HN 0.487 nan 8.270 nan 0.000 0.502 95 V N 3.898 123.896 119.914 0.139 0.000 2.686 95 V HA 0.377 4.496 4.120 -0.001 0.000 0.295 95 V C 0.247 176.442 176.094 0.167 0.000 1.057 95 V CA -0.451 61.928 62.300 0.132 0.000 1.012 95 V CB 1.674 33.571 31.823 0.124 0.000 1.006 95 V HN 0.596 nan 8.190 nan 0.000 0.477 96 Q N 2.125 121.993 119.800 0.114 0.000 2.292 96 Q HA 0.621 4.960 4.340 -0.001 0.000 0.270 96 Q C -1.313 174.750 176.000 0.104 0.000 1.024 96 Q CA -0.476 55.376 55.803 0.083 0.000 0.768 96 Q CB 2.530 31.286 28.738 0.031 0.000 1.250 96 Q HN 0.594 nan 8.270 nan 0.000 0.447 105 V N 2.200 122.145 119.914 0.051 0.000 2.432 105 V HA 0.744 4.863 4.120 -0.001 0.000 0.271 105 V C 0.572 176.667 176.094 0.002 0.000 1.046 105 V CA 0.250 62.535 62.300 -0.024 0.000 0.945 105 V CB 0.405 32.113 31.823 -0.191 0.000 0.992 105 V HN 1.060 nan 8.190 nan 0.000 0.471 106 S N 6.993 122.704 115.700 0.018 0.000 2.566 106 S HA 0.832 5.301 4.470 -0.001 0.000 0.324 106 S C -0.304 174.314 174.600 0.030 0.000 1.081 106 S CA -0.802 57.412 58.200 0.024 0.000 1.105 106 S CB 0.714 63.930 63.200 0.027 0.000 0.981 106 S HN 0.749 nan 8.310 nan 0.000 0.464 107 M N 0.453 120.070 119.600 0.027 0.000 2.535 107 M HA 0.936 5.415 4.480 -0.001 0.000 0.314 107 M C -0.478 175.854 176.300 0.054 0.000 1.153 107 M CA -0.854 54.471 55.300 0.041 0.000 0.924 107 M CB 1.432 34.044 32.600 0.021 0.000 1.710 107 M HN 0.486 nan 8.290 nan 0.000 0.451 108 E N 1.209 121.464 120.200 0.091 0.000 2.220 108 E HA 0.681 5.030 4.350 -0.001 0.000 0.256 108 E C -0.782 175.921 176.600 0.172 0.000 0.881 108 E CA -0.278 56.195 56.400 0.121 0.000 0.766 108 E CB 1.300 31.078 29.700 0.130 0.000 1.187 108 E HN 1.043 nan 8.360 nan 0.000 0.419 109 S N 0.870 116.633 115.700 0.106 0.000 2.707 109 S HA 0.835 5.304 4.470 -0.001 0.000 0.276 109 S C 0.156 174.827 174.600 0.119 0.000 1.179 109 S CA -0.419 57.820 58.200 0.066 0.000 0.992 109 S CB 0.968 64.176 63.200 0.013 0.000 1.030 109 S HN 0.540 nan 8.310 nan 0.000 0.554 110 E N 0.220 120.446 120.200 0.043 0.000 2.397 110 E HA 0.467 4.816 4.350 -0.001 0.000 0.293 110 E C -1.800 174.749 176.600 -0.084 0.000 0.930 110 E CA -0.297 56.119 56.400 0.027 0.000 0.793 110 E CB 0.841 30.715 29.700 0.291 0.000 1.259 110 E HN 0.537 nan 8.360 nan 0.000 0.406 111 I N 4.253 124.715 120.570 -0.180 0.000 2.392 111 I HA 0.384 4.553 4.170 -0.001 0.000 0.295 111 I C -0.689 175.258 176.117 -0.283 0.000 0.985 111 I CA -0.881 60.345 61.300 -0.124 0.000 1.221 111 I CB 0.828 38.799 38.000 -0.049 0.000 1.366 111 I HN 0.498 nan 8.210 nan 0.000 0.467 112 Y N 2.734 123.024 120.300 -0.017 0.000 2.361 112 Y HA 0.277 4.826 4.550 -0.001 0.000 0.337 112 Y C -0.316 175.751 175.900 0.279 0.000 0.965 112 Y CA -1.135 57.046 58.100 0.135 0.000 1.091 112 Y CB 1.189 39.745 38.460 0.160 0.000 1.182 112 Y HN 0.540 nan 8.280 nan 0.000 0.450 113 D N 1.276 121.871 120.400 0.325 0.000 2.424 113 D HA 0.242 4.881 4.640 -0.001 0.000 0.244 113 D C -0.406 176.099 176.300 0.340 0.000 1.134 113 D CA 0.419 54.568 54.000 0.249 0.000 0.881 113 D CB 0.684 41.557 40.800 0.121 0.000 1.191 113 D HN 0.401 nan 8.370 nan 0.000 0.445 114 T N 3.333 118.032 114.554 0.241 0.000 3.241 114 T HA 0.256 4.605 4.350 -0.001 0.000 0.387 114 T C -2.373 172.287 174.700 -0.066 0.000 1.451 114 T CA -1.307 60.887 62.100 0.156 0.000 1.363 114 T CB 0.653 69.674 68.868 0.254 0.000 1.074 114 T HN 0.263 nan 8.240 nan 0.000 0.598 115 P HA 0.134 nan 4.420 nan 0.000 0.266 115 P C 1.074 178.278 177.300 -0.161 0.000 1.186 115 P CA 0.348 63.377 63.100 -0.118 0.000 0.767 115 P CB 0.654 32.285 31.700 -0.113 0.000 0.820 116 E N 1.997 122.129 120.200 -0.115 0.000 2.393 116 E HA -0.228 4.121 4.350 -0.001 0.000 0.201 116 E C 1.310 177.893 176.600 -0.028 0.000 1.025 116 E CA 1.514 57.863 56.400 -0.084 0.000 0.856 116 E CB -0.974 28.751 29.700 0.041 0.000 0.771 116 E HN 0.600 nan 8.360 nan 0.000 0.526 117 N N -1.210 117.447 118.700 -0.072 0.000 2.214 117 N HA 0.271 5.010 4.740 -0.001 0.000 0.214 117 N C 1.057 176.501 175.510 -0.110 0.000 1.132 117 N CA 0.054 53.072 53.050 -0.054 0.000 0.856 117 N CB 0.451 38.919 38.487 -0.032 0.000 1.020 117 N HN 0.406 nan 8.380 nan 0.000 0.509 118 I N -0.493 119.966 120.570 -0.185 0.000 3.172 118 I HA -0.036 4.133 4.170 -0.001 0.000 0.278 118 I C 1.917 177.862 176.117 -0.287 0.000 1.174 118 I CA 0.428 61.610 61.300 -0.197 0.000 1.445 118 I CB 0.271 38.129 38.000 -0.237 0.000 1.175 118 I HN -0.119 nan 8.210 nan 0.000 0.447 119 V N 0.534 120.174 119.914 -0.457 0.000 2.379 119 V HA -0.246 3.873 4.120 -0.001 0.000 0.245 119 V C 1.553 177.194 176.094 -0.755 0.000 1.044 119 V CA 1.882 63.682 62.300 -0.833 0.000 1.036 119 V CB -0.802 30.342 31.823 -1.131 0.000 0.664 119 V HN 0.457 nan 8.190 nan 0.000 0.453 120 H N -0.701 118.164 119.070 -0.343 0.000 2.519 120 H HA 0.387 4.942 4.556 -0.001 0.000 0.289 120 H C 1.299 176.522 175.328 -0.176 0.000 1.040 120 H CA 0.268 56.161 56.048 -0.258 0.000 1.165 120 H CB 0.079 29.730 29.762 -0.186 0.000 1.462 120 H HN 0.458 nan 8.280 nan 0.000 0.555 121 G N 0.015 108.752 108.800 -0.105 0.000 3.086 121 G HA2 0.446 4.405 3.960 -0.001 0.000 0.159 121 G HA3 0.446 4.405 3.960 -0.001 0.000 0.159 121 G C 0.282 175.171 174.900 -0.019 0.000 1.654 121 G CA 0.164 45.232 45.100 -0.053 0.000 1.078 121 G HN 0.448 nan 8.290 nan 0.000 0.558 122 S N -1.345 114.357 115.700 0.004 0.000 2.593 122 S HA 0.570 5.039 4.470 -0.001 0.000 0.297 122 S C 1.290 175.939 174.600 0.081 0.000 1.112 122 S CA 0.111 58.344 58.200 0.055 0.000 1.043 122 S CB 1.485 64.719 63.200 0.057 0.000 1.054 122 S HN 1.013 nan 8.310 nan 0.000 0.516 123 G N 0.832 109.729 108.800 0.162 0.000 2.450 123 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.220 123 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.220 123 G C 1.287 176.369 174.900 0.305 0.000 1.130 123 G CA 1.944 47.201 45.100 0.262 0.000 0.760 123 G HN 0.693 nan 8.290 nan 0.000 0.557 124 T N 0.301 114.985 114.554 0.216 0.000 2.701 124 T HA -0.156 4.193 4.350 -0.001 0.000 0.263 124 T C 2.235 177.027 174.700 0.153 0.000 1.040 124 T CA 1.458 63.673 62.100 0.191 0.000 1.147 124 T CB -0.353 68.585 68.868 0.117 0.000 0.865 124 T HN 0.391 nan 8.240 nan 0.000 0.426 125 Q N 0.497 120.353 119.800 0.093 0.000 2.096 125 Q HA -0.104 4.236 4.340 -0.001 0.000 0.204 125 Q C 2.338 178.373 176.000 0.058 0.000 0.982 125 Q CA 1.198 57.037 55.803 0.060 0.000 0.850 125 Q CB -0.325 28.426 28.738 0.021 0.000 0.901 125 Q HN 0.502 nan 8.270 nan 0.000 0.422 126 L N -0.222 121.003 121.223 0.003 0.000 1.970 126 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 126 L C 2.128 178.937 176.870 -0.102 0.000 1.071 126 L CA 1.630 56.411 54.840 -0.098 0.000 0.751 126 L CB -0.332 41.576 42.059 -0.251 0.000 0.889 126 L HN 0.290 nan 8.230 nan 0.000 0.432 127 F N 0.222 120.222 119.950 0.083 0.000 2.365 127 F HA -0.200 4.326 4.527 -0.001 0.000 0.300 127 F C 2.351 178.166 175.800 0.025 0.000 1.090 127 F CA 1.020 59.044 58.000 0.040 0.000 1.408 127 F CB -0.545 38.480 39.000 0.042 0.000 1.060 127 F HN 0.219 nan 8.300 nan 0.000 0.534 128 D N -1.303 119.218 120.400 0.202 0.000 2.149 128 D HA -0.181 4.458 4.640 -0.001 0.000 0.201 128 D C 2.096 178.489 176.300 0.155 0.000 0.972 128 D CA 1.232 55.322 54.000 0.149 0.000 0.835 128 D CB -0.325 40.547 40.800 0.120 0.000 0.966 128 D HN 0.303 nan 8.370 nan 0.000 0.476 129 H N 0.937 120.027 119.070 0.035 0.000 2.326 129 H HA -0.040 4.516 4.556 -0.001 0.000 0.301 129 H C 1.992 177.332 175.328 0.021 0.000 1.081 129 H CA 1.244 57.304 56.048 0.019 0.000 1.334 129 H CB -0.404 29.336 29.762 -0.037 0.000 1.385 129 H HN -0.130 nan 8.280 nan 0.000 0.504 130 V N 0.997 120.766 119.914 -0.242 0.000 2.332 130 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 130 V C 2.813 178.896 176.094 -0.018 0.000 1.055 130 V CA 1.811 63.950 62.300 -0.268 0.000 1.038 130 V CB -1.414 30.298 31.823 -0.186 0.000 0.651 130 V HN 0.674 nan 8.190 nan 0.000 0.450 131 A N 0.382 123.240 122.820 0.063 0.000 1.873 131 A HA -0.272 4.047 4.320 -0.001 0.000 0.215 131 A C 2.068 179.757 177.584 0.175 0.000 1.186 131 A CA 2.016 54.141 52.037 0.145 0.000 0.616 131 A CB -0.716 18.358 19.000 0.124 0.000 0.823 131 A HN 0.616 nan 8.150 nan 0.000 0.442 132 D N -0.261 120.217 120.400 0.129 0.000 2.092 132 D HA -0.188 4.451 4.640 -0.001 0.000 0.193 132 D C 1.845 178.186 176.300 0.067 0.000 0.994 132 D CA 2.086 56.168 54.000 0.137 0.000 0.828 132 D CB -0.697 40.202 40.800 0.166 0.000 0.963 132 D HN 0.381 nan 8.370 nan 0.000 0.450 133 C N -0.177 119.098 119.300 -0.040 0.000 2.413 133 C HA -0.085 4.374 4.460 -0.001 0.000 0.276 133 C C 2.670 177.419 174.990 -0.402 0.000 1.248 133 C CA 0.710 59.513 59.018 -0.358 0.000 1.742 133 C CB -1.352 26.023 27.740 -0.608 0.000 2.017 133 C HN 0.504 nan 8.230 nan 0.000 0.481 134 L N 2.010 123.104 121.223 -0.214 0.000 2.046 134 L HA 0.054 4.393 4.340 -0.001 0.000 0.208 134 L C 2.416 179.137 176.870 -0.250 0.000 1.077 134 L CA 2.446 57.178 54.840 -0.179 0.000 0.747 134 L CB -1.411 40.616 42.059 -0.053 0.000 0.896 134 L HN 0.315 nan 8.230 nan 0.000 0.432 135 G N -0.949 107.723 108.800 -0.213 0.000 2.418 135 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.217 135 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.217 135 G C 1.425 176.255 174.900 -0.117 0.000 1.158 135 G CA 0.775 45.699 45.100 -0.293 0.000 0.771 135 G HN 0.537 nan 8.290 nan 0.000 0.545 136 D N -0.105 120.301 120.400 0.010 0.000 2.092 136 D HA -0.170 4.469 4.640 -0.001 0.000 0.193 136 D C 2.122 178.492 176.300 0.117 0.000 0.994 136 D CA 0.832 54.896 54.000 0.106 0.000 0.828 136 D CB -0.214 40.745 40.800 0.265 0.000 0.963 136 D HN 0.220 nan 8.370 nan 0.000 0.450 137 F N 1.232 121.176 119.950 -0.009 0.000 2.043 137 F HA -0.190 4.336 4.527 -0.002 0.000 0.297 137 F C 2.661 178.415 175.800 -0.077 0.000 1.121 137 F CA 1.718 59.722 58.000 0.006 0.000 1.199 137 F CB -0.500 38.465 39.000 -0.058 0.000 0.968 137 F HN -0.084 nan 8.300 nan 0.000 0.478 138 M N 0.194 119.756 119.600 -0.065 0.000 2.202 138 M HA -0.181 4.298 4.480 -0.001 0.000 0.262 138 M C 2.297 178.482 176.300 -0.192 0.000 1.063 138 M CA 2.018 57.207 55.300 -0.184 0.000 1.097 138 M CB -1.029 31.410 32.600 -0.267 0.000 1.382 138 M HN 0.410 nan 8.290 nan 0.000 0.413 139 E N 1.289 121.401 120.200 -0.147 0.000 2.001 139 E HA -0.074 4.276 4.350 -0.001 0.000 0.193 139 E C 1.243 177.767 176.600 -0.127 0.000 0.994 139 E CA 1.174 57.514 56.400 -0.100 0.000 0.815 139 E CB -0.530 29.142 29.700 -0.047 0.000 0.770 139 E HN 0.479 nan 8.360 nan 0.000 0.453 145 D N 1.435 121.793 120.400 -0.070 0.000 2.525 145 D HA 0.175 4.815 4.640 -0.001 0.000 0.229 145 D C 0.652 176.941 176.300 -0.018 0.000 1.202 145 D CA 0.420 54.394 54.000 -0.045 0.000 0.828 145 D CB 1.074 41.856 40.800 -0.031 0.000 1.008 145 D HN 0.769 nan 8.370 nan 0.000 0.493 146 K N 0.243 120.623 120.400 -0.032 0.000 2.098 146 K HA 0.560 4.879 4.320 -0.001 0.000 0.244 146 K C 0.368 176.951 176.600 -0.028 0.000 1.014 146 K CA -0.489 55.780 56.287 -0.029 0.000 0.917 146 K CB -0.198 32.275 32.500 -0.046 0.000 1.072 146 K HN 0.115 nan 8.250 nan 0.000 0.477 147 K N 2.283 122.666 120.400 -0.028 0.000 2.294 147 K HA 0.501 4.820 4.320 -0.001 0.000 0.288 147 K C -0.139 176.407 176.600 -0.091 0.000 1.072 147 K CA 0.006 56.273 56.287 -0.032 0.000 0.960 147 K CB -1.052 31.439 32.500 -0.016 0.000 1.043 147 K HN 0.503 nan 8.250 nan 0.000 0.455 148 L N 3.397 124.566 121.223 -0.088 0.000 2.342 148 L HA 0.491 4.830 4.340 -0.001 0.000 0.271 148 L C -2.450 174.356 176.870 -0.107 0.000 1.008 148 L CA -2.511 52.238 54.840 -0.151 0.000 0.818 148 L CB 2.440 44.428 42.059 -0.119 0.000 1.296 148 L HN 0.394 nan 8.230 nan 0.000 0.427 149 P HA 0.161 nan 4.420 nan 0.000 0.276 149 P C -0.868 176.500 177.300 0.113 0.000 1.230 149 P CA -0.245 62.850 63.100 -0.008 0.000 0.776 149 P CB 1.050 32.763 31.700 0.022 0.000 0.888 150 V N 3.347 123.316 119.914 0.092 0.000 2.435 150 V HA 0.671 4.790 4.120 -0.001 0.000 0.290 150 V C 0.775 176.925 176.094 0.093 0.000 1.030 150 V CA -0.334 62.013 62.300 0.079 0.000 0.881 150 V CB 1.615 33.458 31.823 0.033 0.000 0.983 150 V HN 0.723 nan 8.190 nan 0.000 0.445 151 G N 3.141 111.996 108.800 0.091 0.000 2.416 151 G HA2 0.621 4.580 3.960 -0.001 0.000 0.329 151 G HA3 0.621 4.580 3.960 -0.001 0.000 0.329 151 G C -1.433 173.587 174.900 0.200 0.000 1.173 151 G CA -0.288 44.879 45.100 0.112 0.000 0.929 151 G HN 0.396 nan 8.290 nan 0.000 0.475 152 F N 2.295 122.276 119.950 0.052 0.000 2.434 152 F HA 0.461 4.987 4.527 -0.002 0.000 0.355 152 F C 0.158 176.035 175.800 0.129 0.000 1.115 152 F CA -1.380 56.676 58.000 0.094 0.000 1.010 152 F CB 1.612 40.656 39.000 0.074 0.000 1.234 152 F HN 0.248 nan 8.300 nan 0.000 0.439 153 T N 7.360 122.208 114.554 0.491 0.000 2.863 153 T HA 0.176 4.525 4.350 -0.001 0.000 0.299 153 T C -0.675 174.150 174.700 0.207 0.000 0.973 153 T CA 0.087 62.325 62.100 0.229 0.000 0.994 153 T CB -0.648 68.314 68.868 0.158 0.000 0.961 153 T HN 0.324 nan 8.240 nan 0.000 0.552 154 F N 3.239 123.040 119.950 -0.249 0.000 2.332 154 F HA 0.314 4.841 4.527 -0.001 0.000 0.368 154 F C 0.747 176.446 175.800 -0.168 0.000 1.110 154 F CA -1.458 56.338 58.000 -0.340 0.000 1.087 154 F CB 0.843 39.410 39.000 -0.723 0.000 1.235 154 F HN 0.343 nan 8.300 nan 0.000 0.470 155 S N 6.541 121.937 115.700 -0.507 0.000 3.305 155 S HA 0.213 4.682 4.470 -0.001 0.000 0.248 155 S C -0.593 173.306 174.600 -1.168 0.000 1.288 155 S CA 0.115 57.885 58.200 -0.717 0.000 1.249 155 S CB -1.122 61.652 63.200 -0.711 0.000 1.116 155 S HN 0.407 nan 8.310 nan 0.000 0.465 156 F N 0.243 119.922 119.950 -0.451 0.000 2.692 156 F HA 0.484 5.010 4.527 -0.001 0.000 0.320 156 F C -2.820 172.894 175.800 -0.144 0.000 1.123 156 F CA -2.860 54.947 58.000 -0.323 0.000 0.961 156 F CB 0.783 39.465 39.000 -0.531 0.000 1.383 156 F HN -0.185 nan 8.300 nan 0.000 0.483 157 P HA 0.305 nan 4.420 nan 0.000 0.281 157 P C -1.213 176.125 177.300 0.063 0.000 1.286 157 P CA -0.155 62.987 63.100 0.069 0.000 0.772 157 P CB 0.395 32.139 31.700 0.075 0.000 0.862 158 C N 2.737 122.074 119.300 0.062 0.000 2.707 158 C HA 0.886 5.346 4.460 -0.001 0.000 0.313 158 C C 0.629 175.639 174.990 0.033 0.000 1.209 158 C CA -0.609 58.438 59.018 0.047 0.000 1.635 158 C CB 1.734 29.516 27.740 0.070 0.000 2.206 158 C HN 0.537 nan 8.230 nan 0.000 0.485 159 R N 1.305 121.815 120.500 0.017 0.000 2.295 159 R HA 0.713 5.052 4.340 -0.001 0.000 0.324 159 R C -0.730 175.586 176.300 0.026 0.000 0.968 159 R CA -0.325 55.792 56.100 0.028 0.000 0.837 159 R CB 0.287 30.596 30.300 0.015 0.000 1.133 159 R HN 0.884 nan 8.270 nan 0.000 0.450 160 Q N 1.144 120.991 119.800 0.077 0.000 2.340 160 Q HA 0.590 4.929 4.340 -0.001 0.000 0.268 160 Q C 0.597 176.640 176.000 0.073 0.000 1.031 160 Q CA 0.033 55.867 55.803 0.052 0.000 0.804 160 Q CB 2.347 31.151 28.738 0.111 0.000 1.286 160 Q HN 0.812 nan 8.270 nan 0.000 0.448 161 S N 1.072 116.657 115.700 -0.191 0.000 2.506 161 S HA 0.254 4.724 4.470 -0.001 0.000 0.230 161 S C 0.940 174.945 174.600 -0.993 0.000 1.066 161 S CA 0.822 58.808 58.200 -0.356 0.000 0.940 161 S CB 0.233 63.315 63.200 -0.197 0.000 0.818 161 S HN 0.456 nan 8.310 nan 0.000 0.518 162 K N 0.611 120.613 120.400 -0.665 0.000 2.238 162 K HA 0.791 5.110 4.320 -0.001 0.000 0.239 162 K C 0.429 176.754 176.600 -0.459 0.000 0.987 162 K CA -0.336 55.569 56.287 -0.637 0.000 0.857 162 K CB 0.184 32.469 32.500 -0.359 0.000 1.154 162 K HN 0.228 nan 8.250 nan 0.000 0.439 163 I N 0.395 120.783 120.570 -0.304 0.000 2.676 163 I HA -0.116 4.054 4.170 -0.001 0.000 0.259 163 I C 0.675 176.749 176.117 -0.073 0.000 1.194 163 I CA 1.407 62.650 61.300 -0.095 0.000 1.473 163 I CB 0.328 38.320 38.000 -0.013 0.000 1.096 163 I HN 0.872 nan 8.210 nan 0.000 0.443 164 D N -0.041 120.293 120.400 -0.109 0.000 2.561 164 D HA 0.056 4.695 4.640 -0.001 0.000 0.232 164 D C 0.290 176.536 176.300 -0.090 0.000 1.198 164 D CA -0.083 53.874 54.000 -0.071 0.000 0.826 164 D CB -0.142 40.621 40.800 -0.060 0.000 0.992 164 D HN 0.280 nan 8.370 nan 0.000 0.490 165 E N 0.140 120.276 120.200 -0.107 0.000 2.312 165 E HA 0.644 4.993 4.350 -0.001 0.000 0.267 165 E C -1.528 175.020 176.600 -0.085 0.000 0.894 165 E CA -1.304 55.031 56.400 -0.109 0.000 0.773 165 E CB 1.954 31.571 29.700 -0.139 0.000 1.241 165 E HN 0.050 nan 8.360 nan 0.000 0.432 166 A N 3.443 126.208 122.820 -0.092 0.000 2.913 166 A HA 0.243 4.562 4.320 -0.001 0.000 0.284 166 A C -1.228 176.298 177.584 -0.097 0.000 1.273 166 A CA -0.510 51.475 52.037 -0.086 0.000 0.899 166 A CB 0.090 19.012 19.000 -0.130 0.000 1.444 166 A HN 0.240 nan 8.150 nan 0.000 0.586 167 V N 2.474 122.347 119.914 -0.067 0.000 2.415 167 V HA 0.148 4.267 4.120 -0.001 0.000 0.267 167 V C 0.658 176.716 176.094 -0.060 0.000 1.042 167 V CA -0.189 62.069 62.300 -0.070 0.000 1.000 167 V CB 0.731 32.522 31.823 -0.053 0.000 1.015 167 V HN 0.751 nan 8.190 nan 0.000 0.478 168 L N 6.260 127.427 121.223 -0.093 0.000 2.499 168 L HA 0.163 4.502 4.340 -0.001 0.000 0.273 168 L C 0.827 177.624 176.870 -0.121 0.000 1.195 168 L CA 1.027 55.793 54.840 -0.124 0.000 0.882 168 L CB 0.297 42.190 42.059 -0.276 0.000 1.133 168 L HN 0.568 nan 8.230 nan 0.000 0.483 169 I N 1.964 122.480 120.570 -0.090 0.000 2.729 169 I HA 0.132 4.301 4.170 -0.001 0.000 0.256 169 I C 0.675 176.754 176.117 -0.063 0.000 1.115 169 I CA 0.486 61.756 61.300 -0.050 0.000 1.446 169 I CB 0.115 38.115 38.000 -0.001 0.000 1.176 169 I HN 0.672 nan 8.210 nan 0.000 0.446 170 T N -1.024 113.486 114.554 -0.074 0.000 2.942 170 T HA 0.296 4.645 4.350 -0.001 0.000 0.327 170 T C -2.201 172.500 174.700 0.001 0.000 1.360 170 T CA -0.553 61.531 62.100 -0.027 0.000 1.055 170 T CB 0.802 69.716 68.868 0.077 0.000 1.261 170 T HN 0.097 nan 8.240 nan 0.000 0.485 171 W N 1.931 123.277 121.300 0.077 0.000 2.202 171 W HA 0.531 5.190 4.660 -0.001 0.000 0.332 171 W C 0.620 177.264 176.519 0.208 0.000 1.263 171 W CA -0.224 57.160 57.345 0.064 0.000 1.223 171 W CB 1.191 30.673 29.460 0.036 0.000 1.128 171 W HN 0.485 nan 8.180 nan 0.000 0.573 172 T N 2.511 117.526 114.554 0.769 0.000 2.906 172 T HA 0.348 4.697 4.350 -0.001 0.000 0.295 172 T C -0.114 174.909 174.700 0.539 0.000 1.075 172 T CA -0.742 61.684 62.100 0.543 0.000 1.005 172 T CB 2.167 71.273 68.868 0.398 0.000 1.136 172 T HN 0.562 nan 8.240 nan 0.000 0.498 173 K N 0.270 120.902 120.400 0.387 0.000 2.409 173 K HA -0.274 4.045 4.320 -0.001 0.000 0.157 173 K C 1.283 178.068 176.600 0.308 0.000 0.912 173 K CA 1.505 57.992 56.287 0.334 0.000 0.367 173 K CB -0.704 31.923 32.500 0.212 0.000 0.739 173 K HN 0.495 nan 8.250 nan 0.000 0.746 174 R N 0.091 120.769 120.500 0.297 0.000 2.282 174 R HA 0.215 4.554 4.340 -0.001 0.000 0.195 174 R C 0.166 176.429 176.300 -0.061 0.000 0.909 174 R CA -0.076 56.108 56.100 0.141 0.000 1.039 174 R CB 0.209 30.521 30.300 0.020 0.000 1.015 174 R HN 0.047 nan 8.270 nan 0.000 0.513 175 F N 1.493 121.320 119.950 -0.204 0.000 2.389 175 F HA 0.239 4.765 4.527 -0.002 0.000 0.337 175 F C 0.677 175.921 175.800 -0.926 0.000 1.112 175 F CA -0.106 57.465 58.000 -0.715 0.000 1.192 175 F CB 0.815 39.174 39.000 -1.068 0.000 1.185 175 F HN -0.290 nan 8.300 nan 0.000 0.552 176 K N 1.984 121.793 120.400 -0.985 0.000 3.009 176 K HA 0.542 4.861 4.320 -0.001 0.000 0.228 176 K C -1.652 174.642 176.600 -0.510 0.000 1.307 176 K CA -0.100 55.706 56.287 -0.803 0.000 0.882 176 K CB 0.301 32.724 32.500 -0.130 0.000 1.275 176 K HN 0.684 nan 8.250 nan 0.000 0.551 177 A N 1.578 124.045 122.820 -0.588 0.000 2.274 177 A HA 0.552 4.871 4.320 -0.001 0.000 0.309 177 A C -0.123 177.616 177.584 0.258 0.000 1.226 177 A CA -0.404 51.593 52.037 -0.067 0.000 0.853 177 A CB 0.915 19.893 19.000 -0.037 0.000 1.146 177 A HN 0.463 nan 8.150 nan 0.000 0.518 178 S N 1.025 116.825 115.700 0.166 0.000 2.549 178 S HA 0.410 4.880 4.470 -0.001 0.000 0.286 178 S C 1.222 175.942 174.600 0.200 0.000 1.314 178 S CA 0.847 59.157 58.200 0.183 0.000 1.062 178 S CB 0.508 63.775 63.200 0.112 0.000 0.865 178 S HN 2.214 nan 8.310 nan 0.000 0.498 179 G N 1.265 110.175 108.800 0.183 0.000 2.256 179 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.272 179 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.272 179 G C 0.230 175.235 174.900 0.175 0.000 1.076 179 G CA 0.130 45.318 45.100 0.148 0.000 0.882 179 G HN 0.680 nan 8.290 nan 0.000 0.497 180 V N -1.221 118.808 119.914 0.192 0.000 3.159 180 V HA 0.194 4.314 4.120 -0.001 0.000 0.234 180 V C 1.286 177.349 176.094 -0.051 0.000 1.313 180 V CA 0.756 63.149 62.300 0.154 0.000 1.271 180 V CB 0.040 32.053 31.823 0.317 0.000 1.053 180 V HN 0.458 nan 8.190 nan 0.000 0.476 181 E N 1.323 121.453 120.200 -0.116 0.000 2.480 181 E HA 0.320 4.669 4.350 -0.001 0.000 0.258 181 E C 1.263 177.817 176.600 -0.078 0.000 0.984 181 E CA 0.997 57.288 56.400 -0.181 0.000 0.930 181 E CB 0.358 29.981 29.700 -0.128 0.000 0.936 181 E HN 0.531 nan 8.360 nan 0.000 0.466 182 G N 2.127 110.876 108.800 -0.086 0.000 2.299 182 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.237 182 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.237 182 G C 0.391 175.259 174.900 -0.054 0.000 1.027 182 G CA -0.040 45.029 45.100 -0.051 0.000 0.619 182 G HN 0.817 nan 8.290 nan 0.000 0.513 183 A N 0.014 122.797 122.820 -0.061 0.000 2.271 183 A HA 0.599 4.919 4.320 -0.001 0.000 0.288 183 A C -0.077 177.448 177.584 -0.099 0.000 1.094 183 A CA 0.489 52.487 52.037 -0.066 0.000 0.828 183 A CB 0.661 19.633 19.000 -0.046 0.000 1.091 183 A HN 0.389 nan 8.150 nan 0.000 0.493 184 D N 1.462 121.794 120.400 -0.113 0.000 2.422 184 D HA 0.266 4.905 4.640 -0.001 0.000 0.227 184 D C 1.168 177.344 176.300 -0.206 0.000 1.190 184 D CA -0.147 53.769 54.000 -0.141 0.000 0.905 184 D CB 0.544 41.272 40.800 -0.121 0.000 1.034 184 D HN 0.082 nan 8.370 nan 0.000 0.507 185 V N 3.804 123.568 119.914 -0.250 0.000 2.363 185 V HA -0.309 3.810 4.120 -0.001 0.000 0.254 185 V C 2.344 178.213 176.094 -0.375 0.000 1.074 185 V CA 1.671 63.746 62.300 -0.374 0.000 1.069 185 V CB -0.352 31.165 31.823 -0.511 0.000 0.659 185 V HN 0.536 nan 8.190 nan 0.000 0.455 186 V N 0.031 119.815 119.914 -0.217 0.000 2.261 186 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 186 V C 2.883 178.861 176.094 -0.194 0.000 1.047 186 V CA 2.661 64.882 62.300 -0.132 0.000 1.015 186 V CB -1.388 30.388 31.823 -0.079 0.000 0.642 186 V HN 0.655 nan 8.190 nan 0.000 0.446 187 K N 0.202 120.486 120.400 -0.193 0.000 2.032 187 K HA -0.142 4.177 4.320 -0.001 0.000 0.209 187 K C 2.095 178.548 176.600 -0.245 0.000 1.048 187 K CA 2.122 58.301 56.287 -0.180 0.000 0.927 187 K CB -1.115 31.297 32.500 -0.146 0.000 0.712 187 K HN 0.504 nan 8.250 nan 0.000 0.441 188 L N -0.414 120.589 121.223 -0.367 0.000 2.042 188 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 188 L C 2.746 179.234 176.870 -0.638 0.000 1.076 188 L CA 1.108 55.636 54.840 -0.521 0.000 0.749 188 L CB -0.369 41.212 42.059 -0.796 0.000 0.893 188 L HN 0.409 nan 8.230 nan 0.000 0.432 189 L N 0.126 120.929 121.223 -0.700 0.000 2.093 189 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 189 L C 1.901 178.641 176.870 -0.216 0.000 1.085 189 L CA 1.871 56.453 54.840 -0.431 0.000 0.755 189 L CB -0.776 41.117 42.059 -0.277 0.000 0.904 189 L HN 0.227 nan 8.230 nan 0.000 0.435 190 N N -0.566 118.015 118.700 -0.198 0.000 2.188 190 N HA -0.213 4.526 4.740 -0.001 0.000 0.184 190 N C 1.760 177.192 175.510 -0.129 0.000 1.018 190 N CA 1.286 54.252 53.050 -0.141 0.000 0.858 190 N CB -0.218 38.198 38.487 -0.119 0.000 0.989 190 N HN 0.353 nan 8.380 nan 0.000 0.426 191 K N 1.052 121.372 120.400 -0.132 0.000 2.063 191 K HA -0.099 4.220 4.320 -0.001 0.000 0.208 191 K C 1.980 178.538 176.600 -0.069 0.000 1.048 191 K CA 1.286 57.517 56.287 -0.093 0.000 0.928 191 K CB -0.107 32.343 32.500 -0.083 0.000 0.713 191 K HN 0.159 nan 8.250 nan 0.000 0.442 192 A N 1.452 124.237 122.820 -0.057 0.000 1.877 192 A HA -0.121 4.198 4.320 -0.001 0.000 0.216 192 A C 2.068 179.621 177.584 -0.052 0.000 1.186 192 A CA 1.579 53.612 52.037 -0.006 0.000 0.620 192 A CB -0.591 18.451 19.000 0.070 0.000 0.822 192 A HN 0.373 nan 8.150 nan 0.000 0.443 193 I N -0.255 120.251 120.570 -0.107 0.000 2.454 193 I HA -0.207 3.962 4.170 -0.001 0.000 0.254 193 I C 2.924 178.885 176.117 -0.259 0.000 1.156 193 I CA 1.505 62.659 61.300 -0.243 0.000 1.433 193 I CB -0.347 37.474 38.000 -0.297 0.000 1.082 193 I HN 0.443 nan 8.210 nan 0.000 0.432 194 K N 1.341 121.644 120.400 -0.162 0.000 2.211 194 K HA -0.058 4.261 4.320 -0.001 0.000 0.201 194 K C 2.064 178.609 176.600 -0.092 0.000 1.052 194 K CA 1.024 57.232 56.287 -0.131 0.000 0.973 194 K CB -0.449 31.991 32.500 -0.100 0.000 0.766 194 K HN 0.334 nan 8.250 nan 0.000 0.466 195 K N 0.405 120.763 120.400 -0.069 0.000 2.057 195 K HA -0.186 4.134 4.320 -0.001 0.000 0.207 195 K C 2.658 179.236 176.600 -0.038 0.000 1.049 195 K CA 1.785 58.048 56.287 -0.038 0.000 0.931 195 K CB -0.272 32.218 32.500 -0.016 0.000 0.714 195 K HN 0.311 nan 8.250 nan 0.000 0.440 196 R N 0.586 121.054 120.500 -0.053 0.000 2.092 196 R HA -0.007 4.332 4.340 -0.001 0.000 0.231 196 R C 1.956 178.215 176.300 -0.067 0.000 1.119 196 R CA 1.646 57.721 56.100 -0.043 0.000 0.970 196 R CB -1.885 28.390 30.300 -0.042 0.000 0.864 196 R HN 0.609 nan 8.270 nan 0.000 0.440 197 G N 0.717 109.444 108.800 -0.122 0.000 2.402 197 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.300 197 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.300 197 G C 0.699 175.545 174.900 -0.090 0.000 0.987 197 G CA 0.886 45.917 45.100 -0.115 0.000 0.881 197 G HN 0.618 nan 8.290 nan 0.000 0.512 198 D N -0.731 119.596 120.400 -0.121 0.000 2.202 198 D HA 0.093 4.733 4.640 -0.001 0.000 0.214 198 D C 1.118 177.467 176.300 0.083 0.000 0.967 198 D CA 1.509 55.525 54.000 0.026 0.000 0.871 198 D CB 0.192 41.101 40.800 0.181 0.000 1.020 198 D HN 0.667 nan 8.370 nan 0.000 0.474 199 Y N -1.143 119.158 120.300 0.000 0.000 2.669 199 Y HA 0.636 5.186 4.550 -0.001 0.000 0.335 199 Y C -1.172 174.724 175.900 -0.007 0.000 1.116 199 Y CA -1.516 56.583 58.100 -0.003 0.000 1.081 199 Y CB 0.562 39.022 38.460 -0.000 0.000 1.297 199 Y HN -0.377 nan 8.280 nan 0.000 0.484 200 D N 0.990 121.460 120.400 0.116 0.000 2.233 200 D HA 0.675 5.314 4.640 -0.001 0.000 0.240 200 D C -1.090 175.293 176.300 0.139 0.000 1.074 200 D CA 0.083 54.108 54.000 0.042 0.000 0.838 200 D CB 1.583 42.408 40.800 0.041 0.000 1.124 200 D HN 0.926 nan 8.370 nan 0.000 0.475 201 A N 2.696 125.554 122.820 0.063 0.000 2.455 201 A HA 0.562 4.881 4.320 -0.001 0.000 0.300 201 A C -1.190 176.416 177.584 0.036 0.000 1.040 201 A CA -0.993 51.106 52.037 0.104 0.000 0.697 201 A CB 1.157 20.284 19.000 0.210 0.000 1.265 201 A HN 0.534 nan 8.150 nan 0.000 0.407 202 N N 2.516 121.241 118.700 0.041 0.000 2.524 202 N HA 0.264 5.003 4.740 -0.001 0.000 0.261 202 N C -1.002 174.534 175.510 0.042 0.000 0.998 202 N CA -0.547 52.523 53.050 0.034 0.000 0.915 202 N CB 1.085 39.602 38.487 0.050 0.000 1.187 202 N HN 0.362 nan 8.380 nan 0.000 0.507 203 I N 2.985 123.571 120.570 0.027 0.000 2.357 203 I HA -0.043 4.126 4.170 -0.001 0.000 0.300 203 I C 1.840 177.989 176.117 0.054 0.000 1.159 203 I CA -0.291 61.034 61.300 0.042 0.000 1.339 203 I CB -0.067 37.952 38.000 0.032 0.000 1.458 203 I HN 0.477 nan 8.210 nan 0.000 0.577 204 V N 3.624 123.587 119.914 0.081 0.000 2.951 204 V HA 0.373 4.492 4.120 -0.001 0.000 0.255 204 V C 0.867 176.997 176.094 0.060 0.000 1.088 204 V CA 0.825 63.178 62.300 0.087 0.000 1.109 204 V CB -0.017 31.910 31.823 0.174 0.000 0.724 204 V HN 0.665 nan 8.190 nan 0.000 0.471 205 A N -0.748 122.116 122.820 0.074 0.000 2.539 205 A HA 0.831 5.150 4.320 -0.001 0.000 0.296 205 A C -1.151 176.496 177.584 0.105 0.000 1.073 205 A CA -0.442 51.633 52.037 0.063 0.000 0.700 205 A CB 2.375 21.402 19.000 0.046 0.000 1.296 205 A HN 0.549 nan 8.150 nan 0.000 0.405 206 V N 1.778 121.739 119.914 0.079 0.000 2.532 206 V HA 0.571 4.691 4.120 -0.001 0.000 0.294 206 V C -0.603 175.521 176.094 0.049 0.000 1.036 206 V CA -0.406 61.944 62.300 0.082 0.000 0.876 206 V CB 1.404 33.238 31.823 0.019 0.000 1.012 206 V HN 1.251 nan 8.190 nan 0.000 0.432 207 V N 1.506 121.453 119.914 0.054 0.000 2.962 207 V HA 0.637 4.757 4.120 -0.001 0.000 0.313 207 V C -0.014 176.090 176.094 0.015 0.000 1.099 207 V CA -0.901 61.418 62.300 0.031 0.000 0.971 207 V CB 1.966 33.803 31.823 0.023 0.000 1.028 207 V HN 0.765 nan 8.190 nan 0.000 0.430 208 N N 1.376 120.070 118.700 -0.010 0.000 2.354 208 N HA 0.049 4.788 4.740 -0.001 0.000 0.246 208 N C 0.353 175.832 175.510 -0.052 0.000 1.285 208 N CA 0.252 53.274 53.050 -0.047 0.000 0.925 208 N CB 1.313 39.763 38.487 -0.060 0.000 1.174 208 N HN 1.009 nan 8.380 nan 0.000 0.478 209 D N -0.540 119.809 120.400 -0.085 0.000 2.317 209 D HA -0.125 4.514 4.640 -0.001 0.000 0.211 209 D C 1.625 177.887 176.300 -0.065 0.000 0.966 209 D CA 1.127 55.087 54.000 -0.067 0.000 0.876 209 D CB -0.554 40.196 40.800 -0.083 0.000 0.927 209 D HN 0.638 nan 8.370 nan 0.000 0.519 210 T N -1.594 112.911 114.554 -0.083 0.000 2.896 210 T HA -0.037 4.312 4.350 -0.001 0.000 0.263 210 T C 2.125 176.789 174.700 -0.060 0.000 1.050 210 T CA 0.879 62.928 62.100 -0.085 0.000 1.140 210 T CB -0.739 68.053 68.868 -0.126 0.000 0.877 210 T HN 0.037 nan 8.240 nan 0.000 0.457 211 V N 1.999 121.880 119.914 -0.055 0.000 2.358 211 V HA 0.057 4.176 4.120 -0.001 0.000 0.246 211 V C 3.105 179.182 176.094 -0.028 0.000 1.047 211 V CA 1.789 64.064 62.300 -0.042 0.000 1.035 211 V CB -1.483 30.317 31.823 -0.037 0.000 0.658 211 V HN 0.656 nan 8.190 nan 0.000 0.452 212 G N -0.431 108.354 108.800 -0.025 0.000 2.418 212 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 212 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 212 G C 1.704 176.595 174.900 -0.015 0.000 1.158 212 G CA 1.498 46.588 45.100 -0.017 0.000 0.771 212 G HN 0.458 nan 8.290 nan 0.000 0.545 213 T N 0.785 115.328 114.554 -0.019 0.000 2.777 213 T HA -0.083 4.267 4.350 -0.001 0.000 0.266 213 T C 2.251 176.951 174.700 -0.001 0.000 1.040 213 T CA 1.273 63.367 62.100 -0.010 0.000 1.141 213 T CB -0.175 68.681 68.868 -0.020 0.000 0.868 213 T HN 0.251 nan 8.240 nan 0.000 0.444 214 M N 0.255 119.849 119.600 -0.009 0.000 2.175 214 M HA -0.072 4.407 4.480 -0.001 0.000 0.264 214 M C 1.923 178.230 176.300 0.012 0.000 1.063 214 M CA 1.479 56.778 55.300 -0.002 0.000 1.119 214 M CB -0.166 32.426 32.600 -0.013 0.000 1.377 214 M HN 0.131 nan 8.290 nan 0.000 0.415 215 M N -0.257 119.348 119.600 0.007 0.000 2.175 215 M HA -0.115 4.364 4.480 -0.001 0.000 0.264 215 M C 2.044 178.375 176.300 0.052 0.000 1.063 215 M CA 1.605 56.919 55.300 0.022 0.000 1.119 215 M CB -1.645 30.955 32.600 0.001 0.000 1.377 215 M HN 0.288 nan 8.290 nan 0.000 0.415 216 T N 0.501 115.073 114.554 0.031 0.000 2.674 216 T HA -0.157 4.192 4.350 -0.001 0.000 0.265 216 T C 2.051 176.810 174.700 0.097 0.000 1.039 216 T CA 1.731 63.854 62.100 0.038 0.000 1.150 216 T CB -0.516 68.360 68.868 0.012 0.000 0.864 216 T HN 0.415 nan 8.240 nan 0.000 0.427 217 C N 1.421 120.766 119.300 0.074 0.000 2.446 217 C HA 0.102 4.561 4.460 -0.001 0.000 0.277 217 C C 3.131 178.172 174.990 0.085 0.000 1.275 217 C CA 0.227 59.293 59.018 0.080 0.000 1.727 217 C CB -1.617 26.156 27.740 0.054 0.000 2.010 217 C HN 0.732 nan 8.230 nan 0.000 0.486 218 G N -1.066 107.776 108.800 0.071 0.000 2.462 218 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.220 218 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.220 218 G C 1.357 176.298 174.900 0.069 0.000 1.121 218 G CA 0.948 46.080 45.100 0.053 0.000 0.758 218 G HN 0.630 nan 8.290 nan 0.000 0.559 219 Y N 1.387 121.688 120.300 0.001 0.000 2.224 219 Y HA -0.108 4.441 4.550 -0.001 0.000 0.289 219 Y C 2.220 178.127 175.900 0.012 0.000 1.146 219 Y CA 2.054 60.158 58.100 0.006 0.000 1.182 219 Y CB 0.179 38.642 38.460 0.006 0.000 0.983 219 Y HN 0.181 nan 8.280 nan 0.000 0.524 220 D N -0.798 119.670 120.400 0.112 0.000 2.216 220 D HA -0.029 4.610 4.640 -0.001 0.000 0.208 220 D C -0.121 176.176 176.300 -0.004 0.000 0.960 220 D CA 1.085 55.114 54.000 0.048 0.000 0.861 220 D CB -0.027 40.845 40.800 0.119 0.000 0.985 220 D HN 0.275 nan 8.370 nan 0.000 0.493 221 D N -0.463 119.944 120.400 0.012 0.000 2.440 221 D HA 0.260 4.899 4.640 -0.001 0.000 0.252 221 D C 0.858 177.152 176.300 -0.010 0.000 1.180 221 D CA -0.163 53.837 54.000 -0.000 0.000 0.894 221 D CB 0.840 41.649 40.800 0.015 0.000 1.111 221 D HN -0.075 nan 8.370 nan 0.000 0.544 222 Q N 2.519 122.303 119.800 -0.028 0.000 2.515 222 Q HA -0.153 4.186 4.340 -0.001 0.000 0.215 222 Q C 1.377 177.366 176.000 -0.019 0.000 0.983 222 Q CA 1.488 57.275 55.803 -0.028 0.000 0.905 222 Q CB -0.672 28.043 28.738 -0.038 0.000 0.961 222 Q HN 0.739 nan 8.270 nan 0.000 0.503 223 Q N -1.337 118.452 119.800 -0.018 0.000 2.403 223 Q HA 0.160 4.499 4.340 -0.001 0.000 0.203 223 Q C 0.503 176.489 176.000 -0.024 0.000 0.932 223 Q CA -0.324 55.466 55.803 -0.021 0.000 0.945 223 Q CB 0.064 28.787 28.738 -0.025 0.000 1.045 223 Q HN 0.675 nan 8.270 nan 0.000 0.511 224 C N 1.585 120.875 119.300 -0.018 0.000 2.651 224 C HA 0.007 4.466 4.460 -0.001 0.000 0.410 224 C C 1.055 176.038 174.990 -0.011 0.000 1.372 224 C CA 0.396 59.404 59.018 -0.017 0.000 1.707 224 C CB -0.345 27.393 27.740 -0.002 0.000 2.501 224 C HN 0.502 nan 8.230 nan 0.000 0.598 225 E N 2.482 122.675 120.200 -0.011 0.000 2.639 225 E HA 0.205 4.554 4.350 -0.001 0.000 0.225 225 E C -0.437 176.190 176.600 0.043 0.000 0.921 225 E CA 0.072 56.481 56.400 0.014 0.000 1.184 225 E CB 1.031 30.745 29.700 0.024 0.000 1.160 225 E HN 0.559 nan 8.360 nan 0.000 0.547 226 V N -0.113 119.811 119.914 0.017 0.000 3.074 226 V HA 0.754 4.873 4.120 -0.001 0.000 0.314 226 V C -0.097 175.998 176.094 0.001 0.000 1.117 226 V CA -1.001 61.319 62.300 0.033 0.000 1.014 226 V CB 2.081 33.910 31.823 0.010 0.000 1.057 226 V HN 0.108 nan 8.190 nan 0.000 0.438 227 G N 1.606 110.400 108.800 -0.011 0.000 2.723 227 G HA2 0.640 4.600 3.960 -0.001 0.000 0.295 227 G HA3 0.640 4.600 3.960 -0.001 0.000 0.295 227 G C -1.951 172.908 174.900 -0.067 0.000 1.464 227 G CA -0.365 44.715 45.100 -0.033 0.000 1.012 227 G HN 0.541 nan 8.290 nan 0.000 0.522 228 L N 2.948 124.147 121.223 -0.040 0.000 2.362 228 L HA 0.799 5.138 4.340 -0.001 0.000 0.271 228 L C -0.984 175.847 176.870 -0.065 0.000 1.002 228 L CA -1.028 53.784 54.840 -0.046 0.000 0.818 228 L CB 1.719 43.825 42.059 0.079 0.000 1.298 228 L HN 0.386 nan 8.230 nan 0.000 0.420 229 I N 6.338 126.875 120.570 -0.056 0.000 2.512 229 I HA 0.365 4.534 4.170 -0.001 0.000 0.287 229 I C -1.060 175.062 176.117 0.009 0.000 1.069 229 I CA -0.191 61.082 61.300 -0.046 0.000 1.056 229 I CB 2.009 39.973 38.000 -0.061 0.000 1.229 229 I HN 0.567 nan 8.210 nan 0.000 0.429 230 I N 5.763 126.320 120.570 -0.022 0.000 2.623 230 I HA 0.510 4.679 4.170 -0.001 0.000 0.275 230 I C 0.479 176.563 176.117 -0.054 0.000 1.108 230 I CA 0.027 61.312 61.300 -0.025 0.000 1.120 230 I CB 1.559 39.520 38.000 -0.065 0.000 1.249 230 I HN 0.728 nan 8.210 nan 0.000 0.500 231 G N 1.984 110.761 108.800 -0.038 0.000 3.418 231 G HA2 0.124 4.083 3.960 -0.001 0.000 0.179 231 G HA3 0.124 4.083 3.960 -0.001 0.000 0.179 231 G C 0.604 175.476 174.900 -0.046 0.000 1.212 231 G CA 0.105 45.177 45.100 -0.046 0.000 0.935 231 G HN 0.205 nan 8.290 nan 0.000 0.716 232 T N 0.509 115.038 114.554 -0.042 0.000 2.897 232 T HA 0.269 4.618 4.350 -0.001 0.000 0.271 232 T C 0.875 175.564 174.700 -0.018 0.000 1.084 232 T CA 1.566 63.632 62.100 -0.056 0.000 1.123 232 T CB -0.285 68.563 68.868 -0.034 0.000 0.865 232 T HN 0.900 nan 8.240 nan 0.000 0.496 233 G N -0.642 108.168 108.800 0.017 0.000 2.692 233 G HA2 0.522 4.481 3.960 -0.001 0.000 0.291 233 G HA3 0.522 4.481 3.960 -0.001 0.000 0.291 233 G C -1.504 173.450 174.900 0.090 0.000 1.423 233 G CA -0.492 44.664 45.100 0.093 0.000 0.843 233 G HN -0.002 nan 8.290 nan 0.000 0.486 234 T N -0.414 114.249 114.554 0.182 0.000 2.856 234 T HA 0.698 5.047 4.350 -0.001 0.000 0.283 234 T C -0.693 174.218 174.700 0.352 0.000 1.008 234 T CA -0.572 61.696 62.100 0.280 0.000 0.997 234 T CB 1.479 70.564 68.868 0.361 0.000 0.992 234 T HN 0.776 nan 8.240 nan 0.000 0.454 235 N N 1.276 120.045 118.700 0.117 0.000 3.127 235 N HA 0.688 5.427 4.740 -0.001 0.000 0.239 235 N C -2.047 173.024 175.510 -0.732 0.000 1.407 235 N CA -0.235 52.572 53.050 -0.405 0.000 0.891 235 N CB 1.839 40.212 38.487 -0.190 0.000 1.447 235 N HN 0.925 nan 8.380 nan 0.000 0.507 236 A N 0.201 122.373 122.820 -1.081 0.000 2.549 236 A HA 0.751 5.070 4.320 -0.001 0.000 0.297 236 A C -0.807 176.546 177.584 -0.385 0.000 1.061 236 A CA -0.468 51.100 52.037 -0.782 0.000 0.690 236 A CB 0.137 18.385 19.000 -1.253 0.000 1.287 236 A HN 1.285 nan 8.150 nan 0.000 0.402 237 C N -0.060 119.147 119.300 -0.155 0.000 2.994 237 C HA 1.061 5.520 4.460 -0.001 0.000 0.304 237 C C -1.139 173.947 174.990 0.159 0.000 1.273 237 C CA -0.861 58.163 59.018 0.011 0.000 1.537 237 C CB 0.809 28.514 27.740 -0.058 0.000 2.001 237 C HN 1.861 nan 8.230 nan 0.000 0.471 238 Y N -0.100 120.148 120.300 -0.086 0.000 2.656 238 Y HA 0.725 5.274 4.550 -0.001 0.000 0.334 238 Y C -1.034 174.833 175.900 -0.055 0.000 1.179 238 Y CA -2.045 56.018 58.100 -0.061 0.000 1.050 238 Y CB 0.605 39.040 38.460 -0.042 0.000 1.308 238 Y HN 0.649 nan 8.280 nan 0.000 0.456 239 M N 2.944 122.486 119.600 -0.097 0.000 2.194 239 M HA 0.269 4.749 4.480 -0.001 0.000 0.347 239 M C -0.378 175.785 176.300 -0.228 0.000 1.439 239 M CA 0.233 55.426 55.300 -0.179 0.000 1.131 239 M CB -0.019 32.548 32.600 -0.054 0.000 1.733 239 M HN 0.863 nan 8.290 nan 0.000 0.467 240 E N 2.676 122.650 120.200 -0.376 0.000 2.221 240 E HA 0.330 4.679 4.350 -0.001 0.000 0.268 240 E C -0.873 175.664 176.600 -0.104 0.000 0.933 240 E CA -0.526 55.733 56.400 -0.236 0.000 0.809 240 E CB 1.226 30.697 29.700 -0.382 0.000 1.190 240 E HN 0.382 nan 8.360 nan 0.000 0.406 241 E N 3.779 123.985 120.200 0.010 0.000 2.324 241 E HA 0.020 4.369 4.350 -0.001 0.000 0.271 241 E C 0.862 177.411 176.600 -0.085 0.000 1.028 241 E CA 0.097 56.476 56.400 -0.035 0.000 0.890 241 E CB 0.796 30.472 29.700 -0.040 0.000 1.004 241 E HN 0.682 nan 8.360 nan 0.000 0.431 242 L N 2.896 124.053 121.223 -0.109 0.000 2.043 242 L HA -0.362 3.977 4.340 -0.001 0.000 0.212 242 L C 2.864 179.664 176.870 -0.116 0.000 1.075 242 L CA 2.345 57.119 54.840 -0.109 0.000 0.752 242 L CB -0.408 41.594 42.059 -0.095 0.000 0.891 242 L HN 0.643 nan 8.230 nan 0.000 0.432 243 R N -0.392 119.997 120.500 -0.185 0.000 2.154 243 R HA -0.243 4.096 4.340 -0.001 0.000 0.248 243 R C 1.732 177.909 176.300 -0.205 0.000 1.155 243 R CA 2.343 58.298 56.100 -0.242 0.000 0.979 243 R CB -1.885 28.185 30.300 -0.382 0.000 0.869 243 R HN 0.650 nan 8.270 nan 0.000 0.452 244 H N -1.284 117.764 119.070 -0.036 0.000 2.595 244 H HA 0.374 4.929 4.556 -0.001 0.000 0.265 244 H C 0.381 175.685 175.328 -0.041 0.000 0.953 244 H CA -0.031 55.999 56.048 -0.030 0.000 1.197 244 H CB 0.490 30.239 29.762 -0.021 0.000 1.438 244 H HN 0.323 nan 8.280 nan 0.000 0.531 245 I N 2.671 123.263 120.570 0.037 0.000 2.278 245 I HA -0.072 4.097 4.170 -0.001 0.000 0.300 245 I C 0.320 176.426 176.117 -0.018 0.000 1.174 245 I CA -0.208 61.080 61.300 -0.020 0.000 1.347 245 I CB 0.578 38.523 38.000 -0.091 0.000 1.473 245 I HN 0.224 nan 8.210 nan 0.000 0.595 246 D N 4.122 124.526 120.400 0.006 0.000 2.158 246 D HA -0.178 4.461 4.640 -0.001 0.000 0.197 246 D C 2.070 178.367 176.300 -0.003 0.000 0.995 246 D CA 1.550 55.553 54.000 0.004 0.000 0.846 246 D CB 0.074 40.881 40.800 0.013 0.000 0.941 246 D HN 0.510 nan 8.370 nan 0.000 0.456 247 L N 0.023 121.242 121.223 -0.007 0.000 2.362 247 L HA -0.033 4.306 4.340 -0.001 0.000 0.219 247 L C 0.584 177.461 176.870 0.011 0.000 1.134 247 L CA 0.306 55.147 54.840 0.002 0.000 0.807 247 L CB -0.010 42.051 42.059 0.003 0.000 0.927 247 L HN -0.174 nan 8.230 nan 0.000 0.447 248 V N -0.175 119.730 119.914 -0.015 0.000 2.459 248 V HA 0.162 4.281 4.120 -0.001 0.000 0.295 248 V C 0.126 176.218 176.094 -0.004 0.000 1.029 248 V CA -0.763 61.534 62.300 -0.005 0.000 0.874 248 V CB 1.812 33.578 31.823 -0.094 0.000 0.985 248 V HN 0.076 nan 8.190 nan 0.000 0.438 249 E N 3.254 123.466 120.200 0.019 0.000 1.932 249 E HA 0.508 4.857 4.350 -0.001 0.000 0.275 249 E C 0.263 176.864 176.600 0.002 0.000 1.159 249 E CA -0.032 56.373 56.400 0.008 0.000 0.905 249 E CB 0.875 30.584 29.700 0.016 0.000 1.059 249 E HN 0.887 nan 8.360 nan 0.000 0.400 250 G N 2.276 111.066 108.800 -0.018 0.000 2.708 250 G HA2 0.243 4.202 3.960 -0.001 0.000 0.289 250 G HA3 0.243 4.202 3.960 -0.001 0.000 0.289 250 G C -0.531 174.345 174.900 -0.040 0.000 1.416 250 G CA -0.362 44.722 45.100 -0.026 0.000 0.829 250 G HN 0.346 nan 8.290 nan 0.000 0.480 251 D N -0.777 119.598 120.400 -0.042 0.000 2.880 251 D HA 0.307 4.946 4.640 -0.001 0.000 0.168 251 D C 1.132 177.395 176.300 -0.061 0.000 1.452 251 D CA 0.743 54.711 54.000 -0.054 0.000 1.553 251 D CB -0.131 40.647 40.800 -0.037 0.000 1.386 251 D HN 0.647 nan 8.370 nan 0.000 0.208 252 E N 0.648 120.822 120.200 -0.043 0.000 2.398 252 E HA 0.468 4.817 4.350 -0.001 0.000 0.263 252 E C 0.730 177.305 176.600 -0.043 0.000 1.046 252 E CA 0.286 56.662 56.400 -0.041 0.000 0.908 252 E CB -0.091 29.595 29.700 -0.024 0.000 0.963 252 E HN 0.642 nan 8.360 nan 0.000 0.431 253 G N 0.813 109.586 108.800 -0.045 0.000 2.712 253 G HA2 0.036 3.995 3.960 -0.001 0.000 0.683 253 G HA3 0.036 3.995 3.960 -0.001 0.000 0.683 253 G C -0.115 174.747 174.900 -0.063 0.000 1.320 253 G CA -0.137 44.936 45.100 -0.046 0.000 0.847 253 G HN 1.050 nan 8.290 nan 0.000 0.553 254 R N -0.894 119.567 120.500 -0.064 0.000 2.923 254 R HA 0.911 5.250 4.340 -0.001 0.000 0.252 254 R C 0.124 176.359 176.300 -0.110 0.000 1.130 254 R CA -1.001 55.048 56.100 -0.085 0.000 1.043 254 R CB 1.613 31.870 30.300 -0.072 0.000 1.205 254 R HN 0.787 nan 8.270 nan 0.000 0.495 255 M N 0.352 119.860 119.600 -0.154 0.000 2.413 255 M HA 0.278 4.757 4.480 -0.001 0.000 0.287 255 M C -1.529 174.624 176.300 -0.245 0.000 1.186 255 M CA -0.728 54.455 55.300 -0.194 0.000 0.927 255 M CB 2.270 34.723 32.600 -0.245 0.000 1.715 255 M HN 0.819 nan 8.290 nan 0.000 0.478 256 C N 5.510 124.676 119.300 -0.224 0.000 2.629 256 C HA 0.423 4.882 4.460 -0.001 0.000 0.410 256 C C -0.197 174.622 174.990 -0.286 0.000 1.339 256 C CA -0.327 58.545 59.018 -0.244 0.000 1.810 256 C CB -0.826 26.822 27.740 -0.154 0.000 2.549 256 C HN 0.614 nan 8.230 nan 0.000 0.589 257 I N 7.003 127.339 120.570 -0.389 0.000 2.330 257 I HA 0.210 4.379 4.170 -0.001 0.000 0.289 257 I C 0.194 176.217 176.117 -0.158 0.000 1.001 257 I CA 0.037 61.149 61.300 -0.314 0.000 1.193 257 I CB 0.961 38.700 38.000 -0.436 0.000 1.345 257 I HN 0.713 nan 8.210 nan 0.000 0.461 258 N N 4.968 123.610 118.700 -0.097 0.000 2.399 258 N HA 0.076 4.815 4.740 -0.001 0.000 0.259 258 N C 0.918 176.419 175.510 -0.014 0.000 1.160 258 N CA 0.281 53.297 53.050 -0.056 0.000 0.946 258 N CB 0.871 39.329 38.487 -0.050 0.000 1.156 258 N HN 0.499 nan 8.380 nan 0.000 0.489 259 T N 2.326 116.884 114.554 0.008 0.000 2.674 259 T HA -0.116 4.233 4.350 -0.001 0.000 0.265 259 T C -0.154 174.604 174.700 0.096 0.000 1.039 259 T CA 0.914 63.059 62.100 0.074 0.000 1.150 259 T CB -0.215 68.705 68.868 0.087 0.000 0.864 259 T HN 0.662 nan 8.240 nan 0.000 0.427 260 E N 0.186 120.412 120.200 0.044 0.000 2.340 260 E HA -0.147 4.203 4.350 -0.001 0.000 0.240 260 E C 0.290 177.068 176.600 0.297 0.000 1.154 260 E CA 0.606 57.078 56.400 0.120 0.000 0.717 260 E CB -1.692 28.073 29.700 0.109 0.000 1.250 260 E HN 0.885 nan 8.360 nan 0.000 0.386 261 W N -0.769 120.656 121.300 0.209 0.000 2.825 261 W HA 0.256 4.916 4.660 -0.001 0.000 0.243 261 W C 1.528 178.235 176.519 0.314 0.000 1.293 261 W CA 0.533 58.024 57.345 0.244 0.000 1.403 261 W CB -1.193 28.340 29.460 0.122 0.000 1.134 261 W HN 0.140 nan 8.180 nan 0.000 0.666 262 G N 1.086 110.328 108.800 0.737 0.000 2.470 262 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.220 262 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.220 262 G C 1.682 176.833 174.900 0.419 0.000 1.121 262 G CA 1.256 46.708 45.100 0.586 0.000 0.766 262 G HN 0.446 nan 8.290 nan 0.000 0.553 263 A N 0.047 123.086 122.820 0.365 0.000 2.208 263 A HA 0.368 4.687 4.320 -0.001 0.000 0.209 263 A C 0.846 178.618 177.584 0.314 0.000 1.161 263 A CA -0.525 51.677 52.037 0.276 0.000 0.782 263 A CB -0.337 18.796 19.000 0.222 0.000 0.816 263 A HN 0.274 nan 8.150 nan 0.000 0.477 264 F N 1.348 121.405 119.950 0.178 0.000 2.623 264 F HA 0.351 4.877 4.527 -0.001 0.000 0.383 264 F C 1.340 177.196 175.800 0.092 0.000 1.077 264 F CA 0.881 58.936 58.000 0.092 0.000 1.268 264 F CB -0.283 38.642 39.000 -0.125 0.000 1.053 264 F HN 0.419 nan 8.300 nan 0.000 0.571 265 G N 4.401 113.228 108.800 0.046 0.000 2.217 265 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.246 265 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.246 265 G C 0.982 175.875 174.900 -0.012 0.000 0.990 265 G CA 0.338 45.340 45.100 -0.164 0.000 0.627 265 G HN 0.588 nan 8.290 nan 0.000 0.522 266 D N 1.537 121.977 120.400 0.067 0.000 2.182 266 D HA -0.019 4.620 4.640 -0.001 0.000 0.201 266 D C 2.091 178.423 176.300 0.053 0.000 0.986 266 D CA 1.648 55.686 54.000 0.063 0.000 0.847 266 D CB -0.297 40.559 40.800 0.095 0.000 0.942 266 D HN 0.673 nan 8.370 nan 0.000 0.467 267 D N -1.350 119.091 120.400 0.068 0.000 2.348 267 D HA 0.077 4.717 4.640 -0.001 0.000 0.216 267 D C 1.532 177.852 176.300 0.034 0.000 0.970 267 D CA 0.998 55.032 54.000 0.057 0.000 0.889 267 D CB -0.214 40.629 40.800 0.072 0.000 0.912 267 D HN 0.267 nan 8.370 nan 0.000 0.524 268 G N -0.247 108.563 108.800 0.017 0.000 2.192 268 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.193 268 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.193 268 G C 1.151 176.042 174.900 -0.016 0.000 0.999 268 G CA 0.478 45.575 45.100 -0.004 0.000 0.659 268 G HN 0.466 nan 8.290 nan 0.000 0.503 269 S N -0.281 115.416 115.700 -0.004 0.000 2.440 269 S HA 0.108 4.577 4.470 -0.001 0.000 0.238 269 S C 1.588 176.136 174.600 -0.086 0.000 1.010 269 S CA 1.338 59.540 58.200 0.003 0.000 0.972 269 S CB -0.116 63.165 63.200 0.135 0.000 0.774 269 S HN 0.579 nan 8.310 nan 0.000 0.501 270 L N 0.430 121.552 121.223 -0.167 0.000 3.110 270 L HA 0.437 4.777 4.340 -0.001 0.000 0.266 270 L C 1.419 178.222 176.870 -0.112 0.000 1.257 270 L CA -0.080 54.645 54.840 -0.192 0.000 1.038 270 L CB 0.310 42.165 42.059 -0.341 0.000 1.395 270 L HN 0.080 nan 8.230 nan 0.000 0.566 271 E N 1.020 121.175 120.200 -0.075 0.000 2.418 271 E HA -0.168 4.181 4.350 -0.001 0.000 0.197 271 E C 1.589 178.159 176.600 -0.050 0.000 1.026 271 E CA 0.886 57.253 56.400 -0.055 0.000 0.862 271 E CB 0.188 29.864 29.700 -0.039 0.000 0.799 271 E HN 0.521 nan 8.360 nan 0.000 0.518 272 D N -0.918 119.452 120.400 -0.049 0.000 2.367 272 D HA -0.070 4.569 4.640 -0.001 0.000 0.207 272 D C 1.418 177.691 176.300 -0.044 0.000 1.034 272 D CA 0.179 54.154 54.000 -0.041 0.000 0.861 272 D CB 0.170 40.951 40.800 -0.031 0.000 0.943 272 D HN 0.144 nan 8.370 nan 0.000 0.515 273 I N 0.717 121.254 120.570 -0.055 0.000 2.499 273 I HA 0.090 4.259 4.170 -0.001 0.000 0.243 273 I C 1.136 177.223 176.117 -0.051 0.000 1.085 273 I CA 0.039 61.307 61.300 -0.054 0.000 1.422 273 I CB -0.980 36.980 38.000 -0.067 0.000 1.165 273 I HN -0.132 nan 8.210 nan 0.000 0.440 274 R N 1.910 122.374 120.500 -0.060 0.000 2.566 274 R HA 0.021 4.361 4.340 -0.001 0.000 0.273 274 R C 0.504 176.782 176.300 -0.036 0.000 0.981 274 R CA 0.398 56.468 56.100 -0.050 0.000 1.091 274 R CB 0.024 30.288 30.300 -0.060 0.000 0.924 274 R HN 0.437 nan 8.270 nan 0.000 0.411 275 T N -1.873 112.675 114.554 -0.011 0.000 2.937 275 T HA 0.135 4.485 4.350 -0.001 0.000 0.283 275 T C 1.203 175.870 174.700 -0.055 0.000 1.012 275 T CA -0.862 61.234 62.100 -0.007 0.000 0.997 275 T CB 1.459 70.396 68.868 0.114 0.000 1.136 275 T HN 0.681 nan 8.240 nan 0.000 0.551 276 E N 0.096 120.186 120.200 -0.184 0.000 2.204 276 E HA -0.110 4.239 4.350 -0.001 0.000 0.195 276 E C 1.185 177.621 176.600 -0.272 0.000 0.990 276 E CA 1.174 57.404 56.400 -0.285 0.000 0.821 276 E CB -0.649 28.786 29.700 -0.442 0.000 0.750 276 E HN 0.649 nan 8.360 nan 0.000 0.477 277 F N 2.124 122.056 119.950 -0.030 0.000 2.234 277 F HA -0.030 4.496 4.527 -0.001 0.000 0.296 277 F C 2.006 177.792 175.800 -0.023 0.000 1.089 277 F CA 1.034 59.022 58.000 -0.020 0.000 1.343 277 F CB -0.218 38.771 39.000 -0.018 0.000 1.040 277 F HN -0.064 nan 8.300 nan 0.000 0.498 278 D N 0.183 120.668 120.400 0.143 0.000 2.178 278 D HA -0.108 4.531 4.640 -0.001 0.000 0.202 278 D C 2.261 178.566 176.300 0.009 0.000 0.974 278 D CA 0.900 54.930 54.000 0.050 0.000 0.841 278 D CB -0.266 40.539 40.800 0.007 0.000 0.953 278 D HN 0.320 nan 8.370 nan 0.000 0.478 279 R N 0.654 121.150 120.500 -0.008 0.000 2.075 279 R HA -0.077 4.262 4.340 -0.001 0.000 0.232 279 R C 2.229 178.523 176.300 -0.010 0.000 1.126 279 R CA 0.825 56.910 56.100 -0.024 0.000 0.963 279 R CB -0.128 30.143 30.300 -0.048 0.000 0.858 279 R HN 0.244 nan 8.270 nan 0.000 0.435 280 E N 0.830 121.030 120.200 0.000 0.000 2.107 280 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 280 E C 1.873 178.498 176.600 0.042 0.000 0.982 280 E CA 0.433 56.843 56.400 0.017 0.000 0.809 280 E CB 0.084 29.798 29.700 0.023 0.000 0.756 280 E HN 0.072 nan 8.360 nan 0.000 0.459 281 L N 1.668 122.927 121.223 0.060 0.000 2.127 281 L HA -0.163 4.176 4.340 -0.001 0.000 0.211 281 L C 1.604 178.503 176.870 0.048 0.000 1.089 281 L CA 2.145 57.028 54.840 0.072 0.000 0.757 281 L CB -0.978 41.130 42.059 0.082 0.000 0.899 281 L HN 0.165 nan 8.230 nan 0.000 0.434 282 D N -0.416 119.992 120.400 0.013 0.000 2.103 282 D HA -0.152 4.487 4.640 -0.001 0.000 0.199 282 D C 2.192 178.502 176.300 0.017 0.000 0.978 282 D CA 1.100 55.098 54.000 -0.003 0.000 0.829 282 D CB 0.029 40.815 40.800 -0.023 0.000 0.981 282 D HN 0.299 nan 8.370 nan 0.000 0.464 283 R N -0.773 119.737 120.500 0.016 0.000 2.303 283 R HA 0.016 4.355 4.340 -0.001 0.000 0.225 283 R C 1.488 177.804 176.300 0.027 0.000 1.114 283 R CA 1.075 57.186 56.100 0.018 0.000 1.007 283 R CB -0.065 30.242 30.300 0.011 0.000 0.861 283 R HN 0.144 nan 8.270 nan 0.000 0.471 284 G N 0.171 108.994 108.800 0.038 0.000 3.774 284 G HA2 0.043 4.002 3.960 -0.001 0.000 0.287 284 G HA3 0.043 4.002 3.960 -0.001 0.000 0.287 284 G C -0.086 174.851 174.900 0.061 0.000 1.030 284 G CA -0.290 44.835 45.100 0.043 0.000 0.824 284 G HN 0.221 nan 8.290 nan 0.000 0.518 285 S N -0.561 115.181 115.700 0.071 0.000 2.687 285 S HA 0.453 4.922 4.470 -0.001 0.000 0.283 285 S C 1.066 175.724 174.600 0.096 0.000 1.170 285 S CA -0.675 57.591 58.200 0.109 0.000 1.008 285 S CB 1.782 65.054 63.200 0.119 0.000 1.026 285 S HN -0.021 nan 8.310 nan 0.000 0.541 286 L N 0.800 122.101 121.223 0.130 0.000 2.275 286 L HA 0.121 4.460 4.340 -0.001 0.000 0.215 286 L C 0.410 177.355 176.870 0.127 0.000 1.119 286 L CA 1.354 56.266 54.840 0.119 0.000 0.790 286 L CB -0.809 41.349 42.059 0.165 0.000 0.919 286 L HN 0.914 nan 8.230 nan 0.000 0.443 287 N N -0.847 117.932 118.700 0.132 0.000 2.765 287 N HA 0.277 5.016 4.740 -0.001 0.000 0.277 287 N C -2.973 172.584 175.510 0.078 0.000 1.750 287 N CA -1.831 51.292 53.050 0.122 0.000 0.827 287 N CB -0.121 38.461 38.487 0.158 0.000 1.200 287 N HN 0.066 nan 8.380 nan 0.000 0.494 288 P HA 0.092 nan 4.420 nan 0.000 0.265 288 P C 1.049 178.370 177.300 0.035 0.000 1.187 288 P CA 1.090 64.213 63.100 0.038 0.000 0.766 288 P CB 0.523 32.244 31.700 0.035 0.000 0.820 289 G N 0.201 109.011 108.800 0.018 0.000 2.189 289 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.267 289 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.267 289 G C 0.363 175.281 174.900 0.029 0.000 0.975 289 G CA 0.843 45.954 45.100 0.018 0.000 0.644 289 G HN 0.947 nan 8.290 nan 0.000 0.537 290 K N -0.494 119.928 120.400 0.038 0.000 2.258 290 K HA 0.796 5.115 4.320 -0.001 0.000 0.236 290 K C 1.066 177.692 176.600 0.042 0.000 1.008 290 K CA 0.311 56.634 56.287 0.060 0.000 0.869 290 K CB 0.156 32.712 32.500 0.092 0.000 1.171 290 K HN 0.832 nan 8.250 nan 0.000 0.447 291 Q N 0.029 119.878 119.800 0.082 0.000 2.408 291 Q HA -0.208 4.131 4.340 -0.001 0.000 0.290 291 Q C 1.167 177.178 176.000 0.018 0.000 1.221 291 Q CA 0.843 56.698 55.803 0.087 0.000 0.895 291 Q CB -2.265 26.524 28.738 0.084 0.000 1.241 291 Q HN 0.720 nan 8.270 nan 0.000 0.494 292 L N -1.409 119.827 121.223 0.022 0.000 2.043 292 L HA -0.204 4.135 4.340 -0.001 0.000 0.212 292 L C 2.076 178.933 176.870 -0.021 0.000 1.075 292 L CA 2.027 56.850 54.840 -0.029 0.000 0.752 292 L CB -0.513 41.530 42.059 -0.027 0.000 0.891 292 L HN 0.328 nan 8.230 nan 0.000 0.432 293 F N 1.023 120.906 119.950 -0.112 0.000 2.186 293 F HA -0.213 4.313 4.527 -0.001 0.000 0.299 293 F C 2.546 178.297 175.800 -0.082 0.000 1.090 293 F CA 1.817 59.731 58.000 -0.144 0.000 1.307 293 F CB -0.190 38.747 39.000 -0.106 0.000 1.019 293 F HN 0.108 nan 8.300 nan 0.000 0.489 294 E N 0.490 120.692 120.200 0.003 0.000 2.110 294 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 294 E C 1.861 178.376 176.600 -0.142 0.000 0.988 294 E CA 1.425 57.804 56.400 -0.034 0.000 0.804 294 E CB -0.168 29.613 29.700 0.136 0.000 0.745 294 E HN 0.436 nan 8.360 nan 0.000 0.458 295 K N -0.432 119.784 120.400 -0.307 0.000 2.504 295 K HA -0.011 4.308 4.320 -0.001 0.000 0.195 295 K C 1.652 178.146 176.600 -0.177 0.000 1.036 295 K CA 0.778 56.778 56.287 -0.477 0.000 0.984 295 K CB 0.114 32.232 32.500 -0.636 0.000 0.788 295 K HN 0.299 nan 8.250 nan 0.000 0.488 296 M N -0.774 118.705 119.600 -0.201 0.000 2.461 296 M HA 0.011 4.490 4.480 -0.001 0.000 0.255 296 M C 1.349 177.535 176.300 -0.190 0.000 1.137 296 M CA 0.450 55.644 55.300 -0.176 0.000 1.086 296 M CB 0.876 33.339 32.600 -0.228 0.000 1.356 296 M HN -0.094 nan 8.290 nan 0.000 0.487 297 V N -1.651 118.116 119.914 -0.245 0.000 2.911 297 V HA 0.110 4.229 4.120 -0.001 0.000 0.237 297 V C 1.089 177.144 176.094 -0.064 0.000 1.156 297 V CA 0.242 62.423 62.300 -0.198 0.000 1.180 297 V CB 0.569 32.144 31.823 -0.414 0.000 0.932 297 V HN 0.273 nan 8.190 nan 0.000 0.483 298 S N 1.007 116.716 115.700 0.015 0.000 2.550 298 S HA 0.131 4.601 4.470 -0.001 0.000 0.285 298 S C 1.134 175.745 174.600 0.019 0.000 1.326 298 S CA 0.520 58.770 58.200 0.082 0.000 1.037 298 S CB 0.794 64.173 63.200 0.298 0.000 0.838 298 S HN 0.588 nan 8.310 nan 0.000 0.519 299 G N 3.139 111.902 108.800 -0.060 0.000 3.562 299 G HA2 0.329 4.289 3.960 -0.001 0.000 0.279 299 G HA3 0.329 4.289 3.960 -0.001 0.000 0.279 299 G C 0.432 175.261 174.900 -0.118 0.000 1.314 299 G CA -0.061 44.985 45.100 -0.090 0.000 1.189 299 G HN 0.770 nan 8.290 nan 0.000 0.562 300 M N -2.283 117.187 119.600 -0.217 0.000 2.260 300 M HA 0.362 4.842 4.480 -0.001 0.000 0.295 300 M C 0.573 176.554 176.300 -0.532 0.000 1.042 300 M CA 0.266 55.315 55.300 -0.419 0.000 1.116 300 M CB 0.741 32.960 32.600 -0.635 0.000 1.796 300 M HN 0.092 nan 8.290 nan 0.000 0.617 301 Y N -0.363 119.943 120.300 0.009 0.000 2.462 301 Y HA 0.312 4.861 4.550 -0.001 0.000 0.253 301 Y C 2.089 177.991 175.900 0.005 0.000 1.095 301 Y CA 0.301 58.407 58.100 0.011 0.000 1.283 301 Y CB -0.229 38.231 38.460 0.001 0.000 1.138 301 Y HN 0.174 nan 8.280 nan 0.000 0.522 302 M N 0.286 119.942 119.600 0.093 0.000 2.115 302 M HA -0.180 4.299 4.480 -0.001 0.000 0.258 302 M C 2.454 178.791 176.300 0.061 0.000 1.071 302 M CA 2.473 57.809 55.300 0.060 0.000 1.100 302 M CB -0.672 31.949 32.600 0.035 0.000 1.292 302 M HN 0.398 nan 8.290 nan 0.000 0.415 303 G N -0.785 108.076 108.800 0.102 0.000 2.469 303 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.219 303 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.219 303 G C 1.199 176.164 174.900 0.108 0.000 1.150 303 G CA 1.468 46.685 45.100 0.195 0.000 0.763 303 G HN 0.581 nan 8.290 nan 0.000 0.561 304 E N -0.079 120.176 120.200 0.092 0.000 2.204 304 E HA -0.074 4.275 4.350 -0.001 0.000 0.195 304 E C 2.208 178.825 176.600 0.028 0.000 0.990 304 E CA 0.569 57.012 56.400 0.073 0.000 0.821 304 E CB -0.350 29.407 29.700 0.095 0.000 0.750 304 E HN 0.320 nan 8.360 nan 0.000 0.477 305 L N -0.575 120.657 121.223 0.014 0.000 2.109 305 L HA -0.016 4.323 4.340 -0.001 0.000 0.207 305 L C 2.134 178.916 176.870 -0.148 0.000 1.086 305 L CA 1.105 55.931 54.840 -0.023 0.000 0.760 305 L CB -0.343 41.714 42.059 -0.003 0.000 0.910 305 L HN 0.103 nan 8.230 nan 0.000 0.437 306 V N -0.199 119.585 119.914 -0.216 0.000 2.358 306 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 306 V C 2.738 178.567 176.094 -0.441 0.000 1.047 306 V CA 1.941 64.004 62.300 -0.395 0.000 1.035 306 V CB -0.710 30.756 31.823 -0.595 0.000 0.658 306 V HN 0.482 nan 8.190 nan 0.000 0.452 307 R N -0.161 120.104 120.500 -0.392 0.000 2.091 307 R HA -0.164 4.175 4.340 -0.001 0.000 0.238 307 R C 2.239 178.491 176.300 -0.080 0.000 1.136 307 R CA 1.689 57.659 56.100 -0.216 0.000 0.959 307 R CB -0.298 29.985 30.300 -0.027 0.000 0.856 307 R HN 0.455 nan 8.270 nan 0.000 0.437 308 L N 0.186 121.384 121.223 -0.040 0.000 2.201 308 L HA -0.137 4.202 4.340 -0.001 0.000 0.212 308 L C 2.256 179.176 176.870 0.083 0.000 1.105 308 L CA 0.905 55.789 54.840 0.072 0.000 0.775 308 L CB -0.187 41.963 42.059 0.151 0.000 0.913 308 L HN 0.244 nan 8.230 nan 0.000 0.440 309 I N -0.632 119.837 120.570 -0.170 0.000 2.277 309 I HA -0.252 3.917 4.170 -0.001 0.000 0.243 309 I C 2.346 178.412 176.117 -0.085 0.000 1.094 309 I CA 0.986 62.089 61.300 -0.329 0.000 1.393 309 I CB -0.248 37.401 38.000 -0.585 0.000 1.078 309 I HN 0.138 nan 8.210 nan 0.000 0.417 310 L N 0.229 121.390 121.223 -0.103 0.000 1.997 310 L HA -0.254 4.085 4.340 -0.001 0.000 0.216 310 L C 2.676 179.604 176.870 0.097 0.000 1.074 310 L CA 1.351 56.191 54.840 0.000 0.000 0.763 310 L CB -0.986 41.105 42.059 0.052 0.000 0.890 310 L HN 0.118 nan 8.230 nan 0.000 0.434 311 V N 0.195 120.170 119.914 0.102 0.000 2.287 311 V HA -0.323 3.796 4.120 -0.001 0.000 0.248 311 V C 2.613 178.786 176.094 0.132 0.000 1.053 311 V CA 2.283 64.659 62.300 0.126 0.000 1.027 311 V CB -0.626 31.260 31.823 0.105 0.000 0.646 311 V HN 0.432 nan 8.190 nan 0.000 0.447 312 K N 0.244 120.748 120.400 0.173 0.000 2.032 312 K HA -0.185 4.134 4.320 -0.001 0.000 0.209 312 K C 2.027 178.728 176.600 0.168 0.000 1.048 312 K CA 2.067 58.488 56.287 0.223 0.000 0.927 312 K CB -0.385 32.382 32.500 0.445 0.000 0.712 312 K HN 0.437 nan 8.250 nan 0.000 0.441 313 M N -0.246 119.408 119.600 0.089 0.000 2.098 313 M HA -0.026 4.453 4.480 -0.001 0.000 0.262 313 M C 2.350 178.610 176.300 -0.066 0.000 1.072 313 M CA 1.534 56.790 55.300 -0.074 0.000 1.133 313 M CB -0.484 31.957 32.600 -0.266 0.000 1.344 313 M HN 0.289 nan 8.290 nan 0.000 0.414 314 A N 1.035 123.846 122.820 -0.015 0.000 1.884 314 A HA -0.238 4.082 4.320 -0.001 0.000 0.219 314 A C 2.139 179.765 177.584 0.070 0.000 1.197 314 A CA 2.158 54.234 52.037 0.065 0.000 0.637 314 A CB -0.791 18.385 19.000 0.293 0.000 0.827 314 A HN 0.440 nan 8.150 nan 0.000 0.450 315 K N -0.530 119.920 120.400 0.083 0.000 2.113 315 K HA -0.182 4.137 4.320 -0.001 0.000 0.208 315 K C 1.754 178.386 176.600 0.054 0.000 1.047 315 K CA 1.689 58.019 56.287 0.072 0.000 0.928 315 K CB -0.172 32.374 32.500 0.077 0.000 0.716 315 K HN 0.634 nan 8.250 nan 0.000 0.446 316 E N -0.889 119.340 120.200 0.048 0.000 2.481 316 E HA -0.024 4.326 4.350 -0.001 0.000 0.195 316 E C 0.873 177.478 176.600 0.008 0.000 1.047 316 E CA 0.470 56.894 56.400 0.040 0.000 0.867 316 E CB 0.381 30.122 29.700 0.069 0.000 0.858 316 E HN 0.526 nan 8.360 nan 0.000 0.513 317 G N 1.288 110.084 108.800 -0.007 0.000 2.141 317 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.242 317 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.242 317 G C 0.766 175.621 174.900 -0.075 0.000 0.982 317 G CA 0.209 45.296 45.100 -0.021 0.000 0.662 317 G HN 0.259 nan 8.290 nan 0.000 0.527 318 L N -0.464 120.682 121.223 -0.129 0.000 2.591 318 L HA 0.502 4.841 4.340 -0.001 0.000 0.228 318 L C 0.910 177.601 176.870 -0.298 0.000 1.133 318 L CA 0.598 55.313 54.840 -0.207 0.000 0.880 318 L CB 0.173 42.055 42.059 -0.295 0.000 1.033 318 L HN 0.272 nan 8.230 nan 0.000 0.450 319 L N -1.347 119.663 121.223 -0.354 0.000 2.482 319 L HA 0.294 4.633 4.340 -0.001 0.000 0.263 319 L C -0.723 175.760 176.870 -0.645 0.000 0.957 319 L CA -0.985 53.418 54.840 -0.728 0.000 0.836 319 L CB 1.942 43.295 42.059 -1.176 0.000 1.324 319 L HN -0.072 nan 8.230 nan 0.000 0.406 320 F N 0.385 120.332 119.950 -0.004 0.000 3.093 320 F HA -0.244 4.282 4.527 -0.001 0.000 0.287 320 F C 1.235 177.039 175.800 0.007 0.000 0.882 320 F CA 1.172 59.176 58.000 0.008 0.000 1.063 320 F CB -2.659 36.348 39.000 0.013 0.000 1.097 320 F HN 0.897 nan 8.300 nan 0.000 0.604 321 E N -2.055 118.183 120.200 0.063 0.000 2.586 321 E HA 0.146 4.495 4.350 -0.001 0.000 0.259 321 E C 2.452 179.088 176.600 0.060 0.000 1.107 321 E CA 1.500 57.928 56.400 0.046 0.000 0.754 321 E CB -2.138 27.596 29.700 0.058 0.000 1.335 321 E HN 2.570 nan 8.360 nan 0.000 0.411 322 G N -1.165 107.674 108.800 0.065 0.000 2.148 322 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.254 322 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.254 322 G C 0.356 175.327 174.900 0.118 0.000 0.981 322 G CA 1.183 46.328 45.100 0.076 0.000 0.670 322 G HN 1.893 nan 8.290 nan 0.000 0.528 323 R N -0.185 120.417 120.500 0.169 0.000 2.234 323 R HA 0.661 5.000 4.340 -0.001 0.000 0.324 323 R C -0.379 176.000 176.300 0.132 0.000 1.054 323 R CA -0.659 55.519 56.100 0.130 0.000 0.912 323 R CB 0.556 30.916 30.300 0.101 0.000 1.030 323 R HN 0.113 nan 8.270 nan 0.000 0.455 324 I N 2.385 123.001 120.570 0.077 0.000 2.525 324 I HA 0.327 4.496 4.170 -0.001 0.000 0.301 324 I C 0.355 176.476 176.117 0.005 0.000 0.992 324 I CA -0.317 61.013 61.300 0.051 0.000 1.162 324 I CB 2.205 40.242 38.000 0.062 0.000 1.332 324 I HN 0.788 nan 8.210 nan 0.000 0.458 325 T N 4.035 118.576 114.554 -0.021 0.000 2.916 325 T HA 0.518 4.868 4.350 -0.001 0.000 0.292 325 T C -2.349 172.343 174.700 -0.014 0.000 1.055 325 T CA -2.077 60.005 62.100 -0.031 0.000 1.009 325 T CB 1.901 70.728 68.868 -0.069 0.000 1.118 325 T HN 0.255 nan 8.240 nan 0.000 0.497 326 P HA 0.136 nan 4.420 nan 0.000 0.229 326 P C 0.636 177.936 177.300 -0.000 0.000 1.160 326 P CA 0.585 63.685 63.100 -0.001 0.000 0.777 326 P CB 0.267 31.965 31.700 -0.003 0.000 0.814 327 E N -1.110 119.084 120.200 -0.010 0.000 2.230 327 E HA -0.038 4.311 4.350 -0.001 0.000 0.192 327 E C 1.599 178.207 176.600 0.013 0.000 0.987 327 E CA 0.351 56.749 56.400 -0.004 0.000 0.841 327 E CB -0.779 28.910 29.700 -0.018 0.000 0.783 327 E HN 0.096 nan 8.360 nan 0.000 0.481 328 L N 0.126 121.350 121.223 0.002 0.000 2.217 328 L HA -0.012 4.328 4.340 -0.001 0.000 0.211 328 L C 1.442 178.339 176.870 0.045 0.000 1.107 328 L CA 1.375 56.228 54.840 0.023 0.000 0.783 328 L CB 0.093 42.148 42.059 -0.006 0.000 0.919 328 L HN 0.148 nan 8.230 nan 0.000 0.442 329 L N -1.778 119.465 121.223 0.034 0.000 2.416 329 L HA 0.097 4.437 4.340 -0.001 0.000 0.216 329 L C 0.572 177.464 176.870 0.036 0.000 1.098 329 L CA -0.027 54.836 54.840 0.039 0.000 0.840 329 L CB -0.721 41.358 42.059 0.032 0.000 0.981 329 L HN 0.018 nan 8.230 nan 0.000 0.462 330 T N 2.387 116.959 114.554 0.031 0.000 2.817 330 T HA 0.023 4.372 4.350 -0.001 0.000 0.295 330 T C 0.593 175.316 174.700 0.039 0.000 0.958 330 T CA -0.103 62.014 62.100 0.027 0.000 1.157 330 T CB 0.547 69.426 68.868 0.018 0.000 0.898 330 T HN 0.157 nan 8.240 nan 0.000 0.536 331 R N 2.372 122.894 120.500 0.036 0.000 2.522 331 R HA 0.236 4.575 4.340 -0.001 0.000 0.284 331 R C 1.249 177.575 176.300 0.043 0.000 1.032 331 R CA 1.172 57.298 56.100 0.044 0.000 1.049 331 R CB -0.345 29.977 30.300 0.037 0.000 0.956 331 R HN 1.023 nan 8.270 nan 0.000 0.422 332 G N 3.884 112.720 108.800 0.061 0.000 2.159 332 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.256 332 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.256 332 G C 0.814 175.748 174.900 0.056 0.000 0.977 332 G CA 0.266 45.400 45.100 0.056 0.000 0.652 332 G HN 0.604 nan 8.290 nan 0.000 0.531 333 K N -0.829 119.614 120.400 0.071 0.000 2.155 333 K HA 0.146 4.465 4.320 -0.001 0.000 0.203 333 K C 0.589 177.230 176.600 0.070 0.000 1.052 333 K CA 0.414 56.733 56.287 0.053 0.000 0.948 333 K CB -0.076 32.455 32.500 0.051 0.000 0.728 333 K HN 0.440 nan 8.250 nan 0.000 0.448 334 F N 2.399 122.345 119.950 -0.008 0.000 2.388 334 F HA 0.178 4.705 4.527 -0.001 0.000 0.358 334 F C 0.110 175.906 175.800 -0.006 0.000 1.122 334 F CA -1.597 56.400 58.000 -0.006 0.000 1.056 334 F CB 0.393 39.395 39.000 0.004 0.000 1.155 334 F HN 0.049 nan 8.300 nan 0.000 0.461 335 N N 1.274 120.031 118.700 0.095 0.000 2.619 335 N HA 0.332 5.071 4.740 -0.001 0.000 0.294 335 N C 0.438 176.024 175.510 0.128 0.000 1.279 335 N CA -0.550 52.568 53.050 0.112 0.000 0.867 335 N CB 0.566 39.060 38.487 0.012 0.000 1.329 335 N HN 0.299 nan 8.380 nan 0.000 0.557 336 T N -0.632 113.974 114.554 0.086 0.000 2.803 336 T HA -0.110 4.239 4.350 -0.001 0.000 0.269 336 T C 1.387 176.117 174.700 0.050 0.000 1.052 336 T CA 1.662 63.813 62.100 0.085 0.000 1.136 336 T CB -0.538 68.350 68.868 0.034 0.000 0.864 336 T HN 0.576 nan 8.240 nan 0.000 0.467 337 S N 1.504 117.198 115.700 -0.011 0.000 2.423 337 S HA -0.101 4.368 4.470 -0.001 0.000 0.231 337 S C 1.688 176.236 174.600 -0.088 0.000 1.014 337 S CA 0.878 59.048 58.200 -0.050 0.000 0.965 337 S CB -0.289 62.872 63.200 -0.066 0.000 0.785 337 S HN 0.502 nan 8.310 nan 0.000 0.495 338 D N 1.401 121.718 120.400 -0.139 0.000 2.103 338 D HA -0.023 4.617 4.640 -0.001 0.000 0.199 338 D C 2.111 178.366 176.300 -0.076 0.000 0.978 338 D CA 0.652 54.486 54.000 -0.276 0.000 0.829 338 D CB -0.633 39.687 40.800 -0.799 0.000 0.981 338 D HN 0.193 nan 8.370 nan 0.000 0.464 339 V N 1.068 121.061 119.914 0.132 0.000 2.255 339 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 339 V C 2.503 178.642 176.094 0.075 0.000 1.051 339 V CA 1.911 64.349 62.300 0.231 0.000 1.018 339 V CB -0.699 31.293 31.823 0.282 0.000 0.641 339 V HN 0.147 nan 8.190 nan 0.000 0.445 340 S N 0.175 115.862 115.700 -0.022 0.000 2.365 340 S HA -0.236 4.233 4.470 -0.001 0.000 0.225 340 S C 2.190 176.626 174.600 -0.273 0.000 1.039 340 S CA 1.619 59.624 58.200 -0.324 0.000 1.033 340 S CB -0.595 62.477 63.200 -0.213 0.000 0.887 340 S HN 0.675 nan 8.310 nan 0.000 0.447 341 A N 1.518 124.246 122.820 -0.153 0.000 1.855 341 A HA -0.004 4.316 4.320 -0.001 0.000 0.215 341 A C 2.077 179.598 177.584 -0.104 0.000 1.191 341 A CA 1.226 53.187 52.037 -0.127 0.000 0.613 341 A CB -0.799 18.135 19.000 -0.110 0.000 0.829 341 A HN 0.473 nan 8.150 nan 0.000 0.442 342 I N -0.176 120.353 120.570 -0.069 0.000 2.399 342 I HA -0.245 3.924 4.170 -0.001 0.000 0.254 342 I C 1.724 177.815 176.117 -0.043 0.000 1.146 342 I CA 1.400 62.681 61.300 -0.031 0.000 1.412 342 I CB -0.321 37.708 38.000 0.049 0.000 1.076 342 I HN 0.423 nan 8.210 nan 0.000 0.432 343 E N 0.536 120.693 120.200 -0.072 0.000 2.437 343 E HA 0.022 4.371 4.350 -0.001 0.000 0.189 343 E C 0.373 176.901 176.600 -0.119 0.000 1.054 343 E CA -0.140 56.214 56.400 -0.077 0.000 0.874 343 E CB 0.276 29.951 29.700 -0.042 0.000 1.011 343 E HN 0.212 nan 8.360 nan 0.000 0.474 344 K N 1.220 121.546 120.400 -0.124 0.000 2.326 344 K HA -0.007 4.312 4.320 -0.001 0.000 0.275 344 K C 0.197 176.745 176.600 -0.087 0.000 1.018 344 K CA 0.035 56.253 56.287 -0.115 0.000 0.962 344 K CB 0.711 33.148 32.500 -0.104 0.000 0.953 344 K HN -0.093 nan 8.250 nan 0.000 0.475 345 D N 2.296 122.650 120.400 -0.078 0.000 2.327 345 D HA -0.244 4.395 4.640 -0.001 0.000 0.205 345 D C 1.104 177.371 176.300 -0.056 0.000 1.036 345 D CA 2.046 56.008 54.000 -0.062 0.000 0.897 345 D CB 0.058 40.826 40.800 -0.053 0.000 1.117 345 D HN 0.467 nan 8.370 nan 0.000 0.471 346 K N -0.014 120.358 120.400 -0.045 0.000 1.967 346 K HA -0.050 4.269 4.320 -0.001 0.000 0.212 346 K C 2.622 179.195 176.600 -0.044 0.000 1.044 346 K CA 1.594 57.861 56.287 -0.034 0.000 0.942 346 K CB -0.538 31.950 32.500 -0.021 0.000 0.726 346 K HN 0.268 nan 8.250 nan 0.000 0.440 347 E N 1.389 121.562 120.200 -0.044 0.000 2.219 347 E HA -0.140 4.209 4.350 -0.001 0.000 0.198 347 E C 2.084 178.644 176.600 -0.067 0.000 0.998 347 E CA 1.555 57.927 56.400 -0.047 0.000 0.818 347 E CB -1.658 28.015 29.700 -0.046 0.000 0.741 347 E HN 0.494 nan 8.360 nan 0.000 0.477 348 G N 1.601 110.353 108.800 -0.081 0.000 2.783 348 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.225 348 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.225 348 G C 1.814 176.652 174.900 -0.104 0.000 1.191 348 G CA 2.053 47.098 45.100 -0.091 0.000 0.774 348 G HN 0.720 nan 8.290 nan 0.000 0.632 349 I N 0.108 120.579 120.570 -0.165 0.000 2.454 349 I HA -0.122 4.047 4.170 -0.001 0.000 0.254 349 I C 2.664 178.704 176.117 -0.128 0.000 1.156 349 I CA 1.574 62.736 61.300 -0.231 0.000 1.433 349 I CB -0.425 37.239 38.000 -0.562 0.000 1.082 349 I HN 0.226 nan 8.210 nan 0.000 0.432 350 Q N 2.042 121.796 119.800 -0.077 0.000 2.020 350 Q HA -0.151 4.188 4.340 -0.001 0.000 0.198 350 Q C 1.989 177.975 176.000 -0.023 0.000 0.974 350 Q CA 1.782 57.574 55.803 -0.019 0.000 0.829 350 Q CB -0.254 28.482 28.738 -0.004 0.000 0.894 350 Q HN 0.385 nan 8.270 nan 0.000 0.433 351 N N 0.384 119.059 118.700 -0.042 0.000 2.094 351 N HA -0.172 4.567 4.740 -0.001 0.000 0.191 351 N C 1.522 177.005 175.510 -0.045 0.000 1.023 351 N CA 1.549 54.569 53.050 -0.051 0.000 0.857 351 N CB -0.629 37.819 38.487 -0.065 0.000 1.013 351 N HN 0.418 nan 8.380 nan 0.000 0.426 352 A N 1.136 123.937 122.820 -0.031 0.000 1.883 352 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 352 A C 2.471 180.069 177.584 0.022 0.000 1.186 352 A CA 3.004 55.045 52.037 0.006 0.000 0.624 352 A CB -1.001 18.005 19.000 0.010 0.000 0.822 352 A HN 0.448 nan 8.150 nan 0.000 0.444 353 K N -0.040 120.373 120.400 0.020 0.000 2.025 353 K HA -0.137 4.182 4.320 -0.001 0.000 0.207 353 K C 1.818 178.426 176.600 0.013 0.000 1.049 353 K CA 1.775 58.086 56.287 0.039 0.000 0.933 353 K CB -0.905 31.631 32.500 0.061 0.000 0.714 353 K HN 0.755 nan 8.250 nan 0.000 0.438 354 E N 0.108 120.305 120.200 -0.006 0.000 2.038 354 E HA -0.124 4.225 4.350 -0.001 0.000 0.195 354 E C 2.154 178.727 176.600 -0.043 0.000 1.000 354 E CA 1.491 57.877 56.400 -0.022 0.000 0.803 354 E CB -0.372 29.310 29.700 -0.031 0.000 0.750 354 E HN 0.556 nan 8.360 nan 0.000 0.448 355 I N 0.943 121.474 120.570 -0.065 0.000 2.127 355 I HA -0.297 3.872 4.170 -0.001 0.000 0.241 355 I C 2.437 178.503 176.117 -0.085 0.000 1.075 355 I CA 1.103 62.337 61.300 -0.110 0.000 1.334 355 I CB -0.245 37.646 38.000 -0.182 0.000 1.040 355 I HN 0.110 nan 8.210 nan 0.000 0.405 356 L N 0.087 121.291 121.223 -0.033 0.000 2.191 356 L HA -0.199 4.140 4.340 -0.001 0.000 0.212 356 L C 2.488 179.317 176.870 -0.068 0.000 1.103 356 L CA 1.416 56.248 54.840 -0.014 0.000 0.769 356 L CB -0.684 41.416 42.059 0.068 0.000 0.908 356 L HN 0.332 nan 8.230 nan 0.000 0.438 357 T N -1.419 113.107 114.554 -0.046 0.000 2.896 357 T HA -0.079 4.271 4.350 -0.001 0.000 0.263 357 T C 1.913 176.578 174.700 -0.058 0.000 1.050 357 T CA 0.617 62.687 62.100 -0.050 0.000 1.140 357 T CB -0.100 68.754 68.868 -0.023 0.000 0.877 357 T HN 0.297 nan 8.240 nan 0.000 0.457 358 R N 1.018 121.483 120.500 -0.058 0.000 2.159 358 R HA 0.084 4.424 4.340 -0.001 0.000 0.237 358 R C 1.974 178.236 176.300 -0.064 0.000 1.131 358 R CA 0.829 56.894 56.100 -0.058 0.000 0.982 358 R CB -0.544 29.716 30.300 -0.065 0.000 0.868 358 R HN 0.355 nan 8.270 nan 0.000 0.453 359 L N -0.106 121.072 121.223 -0.076 0.000 2.622 359 L HA 0.035 4.374 4.340 -0.001 0.000 0.233 359 L C 1.382 178.191 176.870 -0.101 0.000 1.156 359 L CA 0.820 55.613 54.840 -0.079 0.000 0.866 359 L CB -0.341 41.672 42.059 -0.077 0.000 0.980 359 L HN 0.560 nan 8.230 nan 0.000 0.448 360 G N 0.089 108.832 108.800 -0.096 0.000 2.253 360 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.251 360 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.251 360 G C 0.474 175.302 174.900 -0.119 0.000 0.998 360 G CA 0.268 45.315 45.100 -0.089 0.000 0.621 360 G HN 0.253 nan 8.290 nan 0.000 0.524 361 V N -1.194 118.593 119.914 -0.212 0.000 2.649 361 V HA 0.755 4.874 4.120 -0.001 0.000 0.292 361 V C 0.253 176.264 176.094 -0.138 0.000 1.055 361 V CA -0.859 61.282 62.300 -0.265 0.000 1.023 361 V CB 1.638 33.016 31.823 -0.742 0.000 0.992 361 V HN 0.214 nan 8.190 nan 0.000 0.480 362 E N 5.630 125.806 120.200 -0.040 0.000 1.941 362 E HA 0.363 4.712 4.350 -0.001 0.000 0.275 362 E C -2.485 174.166 176.600 0.085 0.000 1.113 362 E CA -1.504 54.907 56.400 0.018 0.000 0.878 362 E CB 0.408 30.128 29.700 0.034 0.000 1.070 362 E HN 0.706 nan 8.360 nan 0.000 0.399 363 P HA 0.036 nan 4.420 nan 0.000 0.276 363 P C -0.597 176.800 177.300 0.161 0.000 1.230 363 P CA -0.375 62.841 63.100 0.194 0.000 0.776 363 P CB 1.207 33.005 31.700 0.164 0.000 0.888 364 S N 1.202 117.006 115.700 0.175 0.000 2.686 364 S HA 0.235 4.704 4.470 -0.001 0.000 0.270 364 S C 0.779 175.483 174.600 0.174 0.000 1.194 364 S CA -0.480 57.806 58.200 0.144 0.000 0.990 364 S CB 0.480 63.750 63.200 0.117 0.000 1.029 364 S HN 0.298 nan 8.310 nan 0.000 0.560 365 D N 0.159 120.686 120.400 0.211 0.000 2.264 365 D HA -0.030 4.609 4.640 -0.001 0.000 0.208 365 D C 1.870 178.340 176.300 0.282 0.000 0.966 365 D CA 0.499 54.707 54.000 0.347 0.000 0.864 365 D CB -0.349 40.690 40.800 0.398 0.000 0.933 365 D HN 0.284 nan 8.370 nan 0.000 0.499 366 V N 1.267 121.276 119.914 0.159 0.000 2.283 366 V HA -0.192 3.927 4.120 -0.001 0.000 0.243 366 V C 1.906 178.029 176.094 0.048 0.000 1.039 366 V CA 1.565 63.913 62.300 0.080 0.000 1.016 366 V CB -0.268 31.577 31.823 0.037 0.000 0.650 366 V HN 0.072 nan 8.190 nan 0.000 0.449 367 D N -0.290 120.147 120.400 0.062 0.000 2.116 367 D HA -0.200 4.439 4.640 -0.001 0.000 0.193 367 D C 2.205 178.557 176.300 0.088 0.000 0.998 367 D CA 1.943 55.976 54.000 0.055 0.000 0.836 367 D CB -0.524 40.393 40.800 0.195 0.000 0.951 367 D HN 0.465 nan 8.370 nan 0.000 0.449 368 C N 0.330 119.693 119.300 0.106 0.000 2.413 368 C HA -0.096 4.363 4.460 -0.001 0.000 0.276 368 C C 2.957 177.937 174.990 -0.017 0.000 1.236 368 C CA 0.169 59.220 59.018 0.055 0.000 1.735 368 C CB -0.945 26.814 27.740 0.032 0.000 2.031 368 C HN 0.176 nan 8.230 nan 0.000 0.474 369 V N 0.567 120.459 119.914 -0.037 0.000 2.490 369 V HA -0.181 3.939 4.120 -0.001 0.000 0.250 369 V C 2.478 178.556 176.094 -0.028 0.000 1.061 369 V CA 2.300 64.552 62.300 -0.080 0.000 1.064 369 V CB -0.400 31.394 31.823 -0.048 0.000 0.670 369 V HN 0.601 nan 8.190 nan 0.000 0.461 370 S N -0.551 115.142 115.700 -0.012 0.000 2.336 370 S HA -0.109 4.360 4.470 -0.001 0.000 0.216 370 S C 1.863 176.473 174.600 0.016 0.000 1.032 370 S CA 1.300 59.494 58.200 -0.010 0.000 0.973 370 S CB -0.080 63.075 63.200 -0.075 0.000 0.888 370 S HN 0.377 nan 8.310 nan 0.000 0.455 371 V N 2.162 122.088 119.914 0.021 0.000 2.982 371 V HA -0.166 3.953 4.120 -0.001 0.000 0.265 371 V C 2.349 178.483 176.094 0.067 0.000 1.122 371 V CA 1.496 63.828 62.300 0.053 0.000 1.143 371 V CB -0.662 31.254 31.823 0.155 0.000 0.726 371 V HN 0.476 nan 8.190 nan 0.000 0.507 372 Q N -0.801 119.033 119.800 0.057 0.000 2.204 372 Q HA -0.162 4.177 4.340 -0.001 0.000 0.198 372 Q C 2.241 178.291 176.000 0.084 0.000 0.946 372 Q CA 1.027 56.863 55.803 0.054 0.000 0.859 372 Q CB 0.059 28.800 28.738 0.005 0.000 0.946 372 Q HN 0.750 nan 8.270 nan 0.000 0.474 373 H N 0.566 119.621 119.070 -0.026 0.000 2.395 373 H HA 0.029 4.584 4.556 -0.001 0.000 0.299 373 H C 1.794 177.115 175.328 -0.012 0.000 1.070 373 H CA 1.438 57.475 56.048 -0.018 0.000 1.356 373 H CB -0.033 29.714 29.762 -0.025 0.000 1.401 373 H HN 0.215 nan 8.280 nan 0.000 0.524 374 I N -0.995 119.560 120.570 -0.024 0.000 2.361 374 I HA -0.312 3.857 4.170 -0.001 0.000 0.251 374 I C 2.194 178.250 176.117 -0.102 0.000 1.133 374 I CA 0.837 62.076 61.300 -0.102 0.000 1.413 374 I CB -0.367 37.567 38.000 -0.110 0.000 1.073 374 I HN 0.342 nan 8.210 nan 0.000 0.424 375 C N 0.365 119.643 119.300 -0.037 0.000 2.446 375 C HA -0.096 4.363 4.460 -0.001 0.000 0.279 375 C C 2.991 177.989 174.990 0.014 0.000 1.366 375 C CA 1.208 60.235 59.018 0.015 0.000 1.763 375 C CB -0.965 26.833 27.740 0.097 0.000 1.929 375 C HN 0.511 nan 8.230 nan 0.000 0.509 376 T N 1.420 115.951 114.554 -0.038 0.000 2.732 376 T HA -0.044 4.305 4.350 -0.001 0.000 0.261 376 T C 1.676 176.361 174.700 -0.026 0.000 1.040 376 T CA 1.234 63.306 62.100 -0.046 0.000 1.145 376 T CB -0.220 68.600 68.868 -0.081 0.000 0.866 376 T HN 0.448 nan 8.240 nan 0.000 0.427 377 I N 1.107 121.601 120.570 -0.127 0.000 2.151 377 I HA -0.186 3.983 4.170 -0.001 0.000 0.243 377 I C 2.444 178.550 176.117 -0.018 0.000 1.080 377 I CA 1.183 62.438 61.300 -0.075 0.000 1.339 377 I CB -0.566 37.347 38.000 -0.145 0.000 1.039 377 I HN 0.100 nan 8.210 nan 0.000 0.409 378 V N 0.695 120.584 119.914 -0.042 0.000 2.453 378 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 378 V C 2.508 178.611 176.094 0.016 0.000 1.048 378 V CA 2.068 64.349 62.300 -0.031 0.000 1.049 378 V CB -0.531 31.252 31.823 -0.068 0.000 0.672 378 V HN 0.589 nan 8.190 nan 0.000 0.457 379 S N -0.977 114.742 115.700 0.032 0.000 2.470 379 S HA -0.023 4.446 4.470 -0.001 0.000 0.225 379 S C 1.906 176.560 174.600 0.090 0.000 1.006 379 S CA 0.518 58.735 58.200 0.030 0.000 0.934 379 S CB -0.342 62.784 63.200 -0.123 0.000 0.778 379 S HN 0.401 nan 8.310 nan 0.000 0.517 380 F N 3.112 123.001 119.950 -0.102 0.000 2.219 380 F HA 0.342 4.868 4.527 -0.001 0.000 0.294 380 F C 2.494 178.226 175.800 -0.114 0.000 1.086 380 F CA 0.162 58.082 58.000 -0.132 0.000 1.330 380 F CB -0.678 38.259 39.000 -0.106 0.000 1.047 380 F HN 0.217 nan 8.300 nan 0.000 0.495 381 R N -0.398 120.128 120.500 0.044 0.000 2.120 381 R HA -0.148 4.191 4.340 -0.001 0.000 0.234 381 R C 2.459 178.734 176.300 -0.041 0.000 1.123 381 R CA 1.536 57.597 56.100 -0.064 0.000 0.975 381 R CB -0.467 29.796 30.300 -0.060 0.000 0.866 381 R HN 0.275 nan 8.270 nan 0.000 0.446 382 S N -0.006 115.707 115.700 0.021 0.000 2.343 382 S HA -0.134 4.335 4.470 -0.001 0.000 0.219 382 S C 2.041 176.688 174.600 0.077 0.000 1.033 382 S CA 1.371 59.606 58.200 0.058 0.000 1.014 382 S CB -0.307 63.014 63.200 0.203 0.000 0.915 382 S HN 0.540 nan 8.310 nan 0.000 0.435 383 A N 1.302 124.084 122.820 -0.063 0.000 1.978 383 A HA -0.123 4.196 4.320 -0.001 0.000 0.220 383 A C 1.983 179.612 177.584 0.075 0.000 1.170 383 A CA 1.827 53.687 52.037 -0.295 0.000 0.636 383 A CB -1.059 17.502 19.000 -0.733 0.000 0.810 383 A HN 0.792 nan 8.150 nan 0.000 0.448 384 N N -0.480 118.231 118.700 0.018 0.000 2.216 384 N HA -0.023 4.717 4.740 -0.001 0.000 0.183 384 N C 1.582 177.104 175.510 0.019 0.000 1.017 384 N CA 1.026 54.063 53.050 -0.021 0.000 0.861 384 N CB -0.197 38.178 38.487 -0.188 0.000 0.986 384 N HN 0.424 nan 8.380 nan 0.000 0.428 385 L N 0.567 121.792 121.223 0.003 0.000 2.141 385 L HA -0.093 4.247 4.340 -0.001 0.000 0.209 385 L C 2.015 178.939 176.870 0.090 0.000 1.094 385 L CA 0.635 55.500 54.840 0.041 0.000 0.763 385 L CB -0.104 41.919 42.059 -0.060 0.000 0.908 385 L HN 0.061 nan 8.230 nan 0.000 0.437 386 V N -0.485 119.474 119.914 0.075 0.000 2.591 386 V HA -0.124 3.995 4.120 -0.001 0.000 0.249 386 V C 2.654 178.920 176.094 0.287 0.000 1.053 386 V CA 1.363 63.713 62.300 0.083 0.000 1.068 386 V CB -0.613 31.286 31.823 0.127 0.000 0.689 386 V HN 0.424 nan 8.190 nan 0.000 0.462 387 A N 0.426 123.481 122.820 0.391 0.000 1.902 387 A HA -0.104 4.216 4.320 -0.001 0.000 0.217 387 A C 2.434 180.087 177.584 0.114 0.000 1.181 387 A CA 2.064 54.270 52.037 0.282 0.000 0.623 387 A CB -0.710 18.358 19.000 0.113 0.000 0.818 387 A HN 0.536 nan 8.150 nan 0.000 0.443 388 A N -0.177 122.673 122.820 0.049 0.000 1.858 388 A HA -0.120 4.200 4.320 -0.001 0.000 0.216 388 A C 2.508 180.050 177.584 -0.070 0.000 1.190 388 A CA 2.774 54.809 52.037 -0.004 0.000 0.617 388 A CB -1.508 17.492 19.000 -0.000 0.000 0.827 388 A HN 0.777 nan 8.150 nan 0.000 0.443 389 T N -1.806 112.578 114.554 -0.284 0.000 2.777 389 T HA -0.121 4.228 4.350 -0.001 0.000 0.266 389 T C 1.780 176.445 174.700 -0.059 0.000 1.040 389 T CA 1.499 63.215 62.100 -0.639 0.000 1.141 389 T CB -0.526 67.260 68.868 -1.803 0.000 0.868 389 T HN 0.233 nan 8.240 nan 0.000 0.444 390 L N 2.101 123.410 121.223 0.144 0.000 2.141 390 L HA 0.279 4.618 4.340 -0.001 0.000 0.209 390 L C 2.621 179.619 176.870 0.214 0.000 1.094 390 L CA 1.768 56.857 54.840 0.414 0.000 0.763 390 L CB -1.139 41.250 42.059 0.549 0.000 0.908 390 L HN 0.386 nan 8.230 nan 0.000 0.437 391 G N -0.853 108.027 108.800 0.133 0.000 2.440 391 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.218 391 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.218 391 G C 1.611 176.547 174.900 0.060 0.000 1.154 391 G CA 0.814 45.958 45.100 0.072 0.000 0.767 391 G HN 0.614 nan 8.290 nan 0.000 0.552 392 A N 0.757 123.635 122.820 0.097 0.000 1.902 392 A HA 0.046 4.365 4.320 -0.001 0.000 0.217 392 A C 2.408 179.998 177.584 0.010 0.000 1.181 392 A CA 1.272 53.359 52.037 0.083 0.000 0.623 392 A CB -0.363 18.769 19.000 0.219 0.000 0.818 392 A HN 0.372 nan 8.150 nan 0.000 0.443 393 I N -0.280 120.314 120.570 0.041 0.000 2.208 393 I HA -0.278 3.891 4.170 -0.001 0.000 0.245 393 I C 2.374 178.397 176.117 -0.156 0.000 1.097 393 I CA 1.252 62.441 61.300 -0.184 0.000 1.363 393 I CB -0.367 37.540 38.000 -0.155 0.000 1.051 393 I HN 0.323 nan 8.210 nan 0.000 0.413 394 L N 0.193 121.389 121.223 -0.045 0.000 2.083 394 L HA -0.235 4.104 4.340 -0.001 0.000 0.209 394 L C 2.179 179.026 176.870 -0.037 0.000 1.083 394 L CA 1.644 56.462 54.840 -0.036 0.000 0.752 394 L CB -0.771 41.281 42.059 -0.011 0.000 0.899 394 L HN 0.358 nan 8.230 nan 0.000 0.433 395 N N -0.092 118.588 118.700 -0.034 0.000 2.106 395 N HA -0.226 4.513 4.740 -0.001 0.000 0.188 395 N C 1.958 177.442 175.510 -0.043 0.000 1.029 395 N CA 0.918 53.948 53.050 -0.033 0.000 0.848 395 N CB -0.048 38.421 38.487 -0.030 0.000 1.007 395 N HN 0.187 nan 8.380 nan 0.000 0.423 396 R N 1.469 121.926 120.500 -0.073 0.000 2.105 396 R HA -0.062 4.277 4.340 -0.001 0.000 0.239 396 R C 2.034 178.327 176.300 -0.012 0.000 1.135 396 R CA 1.018 57.076 56.100 -0.070 0.000 0.967 396 R CB -0.263 29.956 30.300 -0.135 0.000 0.861 396 R HN 0.223 nan 8.270 nan 0.000 0.442 397 L N -0.220 120.995 121.223 -0.013 0.000 2.072 397 L HA -0.072 4.268 4.340 -0.001 0.000 0.205 397 L C 2.824 179.707 176.870 0.021 0.000 1.079 397 L CA 1.338 56.199 54.840 0.035 0.000 0.752 397 L CB -0.396 41.680 42.059 0.028 0.000 0.906 397 L HN 0.272 nan 8.230 nan 0.000 0.436 398 R N 0.196 120.696 120.500 -0.000 0.000 2.073 398 R HA -0.191 4.148 4.340 -0.001 0.000 0.234 398 R C 1.815 178.117 176.300 0.005 0.000 1.134 398 R CA 2.006 58.105 56.100 -0.001 0.000 0.952 398 R CB -0.115 30.180 30.300 -0.010 0.000 0.850 398 R HN 0.306 nan 8.270 nan 0.000 0.433 399 D N 0.212 120.612 120.400 0.001 0.000 2.097 399 D HA -0.136 4.504 4.640 -0.001 0.000 0.195 399 D C 1.594 177.911 176.300 0.029 0.000 0.989 399 D CA 1.124 55.127 54.000 0.004 0.000 0.827 399 D CB -0.448 40.343 40.800 -0.015 0.000 0.966 399 D HN 0.220 nan 8.370 nan 0.000 0.456 400 N N 0.692 119.420 118.700 0.048 0.000 2.120 400 N HA -0.100 4.639 4.740 -0.001 0.000 0.188 400 N C 1.431 176.975 175.510 0.057 0.000 1.024 400 N CA 0.829 53.931 53.050 0.086 0.000 0.852 400 N CB -0.111 38.444 38.487 0.113 0.000 1.003 400 N HN 0.274 nan 8.380 nan 0.000 0.424 401 K N -0.193 120.230 120.400 0.038 0.000 2.439 401 K HA 0.069 4.388 4.320 -0.001 0.000 0.197 401 K C 1.096 177.706 176.600 0.017 0.000 1.041 401 K CA 0.590 56.891 56.287 0.023 0.000 0.970 401 K CB -0.061 32.448 32.500 0.016 0.000 0.773 401 K HN 0.247 nan 8.250 nan 0.000 0.479 402 G N 2.072 110.883 108.800 0.019 0.000 2.219 402 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.271 402 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.271 402 G C 0.394 175.298 174.900 0.007 0.000 0.991 402 G CA 1.221 46.329 45.100 0.013 0.000 0.685 402 G HN 0.418 nan 8.290 nan 0.000 0.531 403 T N 0.794 115.351 114.554 0.005 0.000 2.899 403 T HA 0.481 4.830 4.350 -0.001 0.000 0.295 403 T C 0.358 175.057 174.700 -0.001 0.000 1.033 403 T CA -0.618 61.482 62.100 0.001 0.000 1.084 403 T CB 1.188 70.056 68.868 -0.000 0.000 0.979 403 T HN 0.097 nan 8.240 nan 0.000 0.532 404 P HA 0.040 nan 4.420 nan 0.000 0.214 404 P C 0.292 177.589 177.300 -0.005 0.000 1.167 404 P CA 0.648 63.746 63.100 -0.003 0.000 0.882 404 P CB 0.251 31.949 31.700 -0.003 0.000 0.777 405 R N 0.759 121.256 120.500 -0.005 0.000 2.233 405 R HA 0.307 4.646 4.340 -0.001 0.000 0.334 405 R C -0.379 175.915 176.300 -0.010 0.000 1.037 405 R CA -0.883 55.213 56.100 -0.007 0.000 0.920 405 R CB -0.155 30.142 30.300 -0.006 0.000 1.137 405 R HN -0.011 nan 8.270 nan 0.000 0.492 406 L N 4.052 125.268 121.223 -0.013 0.000 2.499 406 L HA 0.109 4.448 4.340 -0.001 0.000 0.273 406 L C -0.368 176.488 176.870 -0.023 0.000 1.195 406 L CA 0.980 55.809 54.840 -0.017 0.000 0.882 406 L CB 0.351 42.398 42.059 -0.021 0.000 1.133 406 L HN 0.611 nan 8.230 nan 0.000 0.483 407 R N 3.735 124.221 120.500 -0.024 0.000 2.435 407 R HA 0.552 4.891 4.340 -0.001 0.000 0.308 407 R C -0.984 175.293 176.300 -0.037 0.000 0.975 407 R CA -0.223 55.859 56.100 -0.029 0.000 0.867 407 R CB 1.175 31.463 30.300 -0.020 0.000 1.171 407 R HN 0.873 nan 8.270 nan 0.000 0.470 408 T N 0.975 115.493 114.554 -0.060 0.000 2.754 408 T HA 0.529 4.878 4.350 -0.001 0.000 0.296 408 T C -1.422 173.210 174.700 -0.114 0.000 1.205 408 T CA -0.311 61.746 62.100 -0.072 0.000 1.009 408 T CB 2.044 70.871 68.868 -0.069 0.000 1.368 408 T HN 0.443 nan 8.240 nan 0.000 0.509 409 T N 1.470 115.951 114.554 -0.121 0.000 2.928 409 T HA 0.573 4.922 4.350 -0.001 0.000 0.296 409 T C -1.118 173.474 174.700 -0.181 0.000 1.000 409 T CA -0.430 61.574 62.100 -0.161 0.000 0.989 409 T CB 1.334 70.154 68.868 -0.081 0.000 1.005 409 T HN 0.459 nan 8.240 nan 0.000 0.442 410 V N 2.609 122.327 119.914 -0.326 0.000 2.370 410 V HA 0.694 4.813 4.120 -0.001 0.000 0.283 410 V C 0.825 176.874 176.094 -0.074 0.000 1.023 410 V CA -0.744 61.417 62.300 -0.232 0.000 0.857 410 V CB 1.566 33.142 31.823 -0.411 0.000 0.985 410 V HN 1.030 nan 8.190 nan 0.000 0.443 411 G N 4.231 113.030 108.800 -0.002 0.000 2.327 411 G HA2 0.561 4.520 3.960 -0.001 0.000 0.302 411 G HA3 0.561 4.520 3.960 -0.001 0.000 0.302 411 G C -0.467 174.458 174.900 0.042 0.000 1.113 411 G CA -0.258 44.867 45.100 0.042 0.000 0.921 411 G HN 0.605 nan 8.290 nan 0.000 0.425 412 V N 1.875 121.816 119.914 0.046 0.000 2.966 412 V HA 0.734 4.853 4.120 -0.001 0.000 0.317 412 V C -0.258 175.792 176.094 -0.073 0.000 1.070 412 V CA -0.950 61.297 62.300 -0.089 0.000 1.008 412 V CB 2.012 33.584 31.823 -0.419 0.000 1.070 412 V HN 0.666 nan 8.190 nan 0.000 0.457 413 D N -1.048 119.289 120.400 -0.105 0.000 2.671 413 D HA 0.590 5.229 4.640 -0.001 0.000 0.273 413 D C -0.544 175.740 176.300 -0.027 0.000 1.264 413 D CA 0.842 54.828 54.000 -0.024 0.000 0.788 413 D CB 2.189 42.983 40.800 -0.010 0.000 1.324 413 D HN 1.263 nan 8.370 nan 0.000 0.424 414 G N 0.158 108.969 108.800 0.018 0.000 3.014 414 G HA2 0.015 3.974 3.960 -0.001 0.000 0.683 414 G HA3 0.015 3.974 3.960 -0.001 0.000 0.683 414 G C 0.617 175.546 174.900 0.048 0.000 1.271 414 G CA 0.290 45.398 45.100 0.014 0.000 0.843 414 G HN 0.318 nan 8.290 nan 0.000 0.612 415 S N 0.836 116.544 115.700 0.014 0.000 2.365 415 S HA -0.188 4.281 4.470 -0.001 0.000 0.221 415 S C 2.618 177.210 174.600 -0.014 0.000 1.037 415 S CA 1.917 60.121 58.200 0.006 0.000 1.060 415 S CB -0.358 62.834 63.200 -0.013 0.000 0.974 415 S HN 1.274 nan 8.310 nan 0.000 0.427 416 L N 0.746 121.922 121.223 -0.079 0.000 2.034 416 L HA -0.211 4.128 4.340 -0.001 0.000 0.217 416 L C 2.034 178.782 176.870 -0.204 0.000 1.077 416 L CA 2.019 56.743 54.840 -0.193 0.000 0.769 416 L CB -1.019 40.812 42.059 -0.379 0.000 0.890 416 L HN 0.448 nan 8.230 nan 0.000 0.435 417 Y N 0.197 120.338 120.300 -0.265 0.000 2.109 417 Y HA -0.259 4.290 4.550 -0.001 0.000 0.285 417 Y C 2.717 178.608 175.900 -0.016 0.000 1.131 417 Y CA 2.340 60.370 58.100 -0.117 0.000 1.121 417 Y CB -0.262 38.157 38.460 -0.068 0.000 0.987 417 Y HN 0.189 nan 8.280 nan 0.000 0.495 418 K N -0.825 119.692 120.400 0.195 0.000 2.360 418 K HA -0.121 4.198 4.320 -0.001 0.000 0.201 418 K C 1.367 177.970 176.600 0.005 0.000 1.046 418 K CA 1.340 57.695 56.287 0.114 0.000 0.945 418 K CB 0.050 32.644 32.500 0.156 0.000 0.750 418 K HN 0.363 nan 8.250 nan 0.000 0.464 419 M N -1.197 118.398 119.600 -0.008 0.000 2.564 419 M HA 0.042 4.521 4.480 -0.001 0.000 0.254 419 M C 0.353 176.635 176.300 -0.030 0.000 1.299 419 M CA 0.123 55.409 55.300 -0.023 0.000 1.143 419 M CB -0.094 32.495 32.600 -0.018 0.000 1.427 419 M HN 0.054 nan 8.290 nan 0.000 0.538 420 H N 4.393 123.409 119.070 -0.091 0.000 2.886 420 H HA 0.091 4.646 4.556 -0.001 0.000 0.329 420 H C -1.652 173.635 175.328 -0.068 0.000 1.044 420 H CA -0.661 55.350 56.048 -0.062 0.000 1.456 420 H CB 1.433 31.174 29.762 -0.036 0.000 1.464 420 H HN 0.017 nan 8.280 nan 0.000 0.573 421 P HA -0.109 nan 4.420 nan 0.000 0.223 421 P C 0.582 177.864 177.300 -0.031 0.000 1.151 421 P CA 1.008 64.032 63.100 -0.126 0.000 0.787 421 P CB 0.671 32.255 31.700 -0.195 0.000 0.788 422 Q N -2.426 117.467 119.800 0.155 0.000 2.322 422 Q HA 0.055 4.394 4.340 -0.001 0.000 0.250 422 Q C 2.026 178.026 176.000 0.001 0.000 0.853 422 Q CA 0.067 55.904 55.803 0.057 0.000 0.951 422 Q CB -0.703 28.062 28.738 0.045 0.000 1.114 422 Q HN 0.234 nan 8.270 nan 0.000 0.523 423 Y N 2.328 122.640 120.300 0.021 0.000 2.053 423 Y HA -0.339 4.210 4.550 -0.001 0.000 0.277 423 Y C 2.832 178.640 175.900 -0.152 0.000 1.159 423 Y CA 2.380 60.388 58.100 -0.154 0.000 1.125 423 Y CB -0.287 38.047 38.460 -0.210 0.000 0.969 423 Y HN 0.158 nan 8.280 nan 0.000 0.492 424 S N 0.017 115.624 115.700 -0.156 0.000 2.377 424 S HA -0.321 4.148 4.470 -0.001 0.000 0.224 424 S C 2.063 176.384 174.600 -0.466 0.000 1.042 424 S CA 2.293 60.208 58.200 -0.475 0.000 1.086 424 S CB -0.381 62.376 63.200 -0.739 0.000 0.995 424 S HN 0.569 nan 8.310 nan 0.000 0.428 425 R N 1.286 121.583 120.500 -0.337 0.000 2.092 425 R HA 0.159 4.499 4.340 -0.001 0.000 0.231 425 R C 2.404 178.634 176.300 -0.116 0.000 1.119 425 R CA 1.296 57.257 56.100 -0.231 0.000 0.970 425 R CB -0.928 29.282 30.300 -0.150 0.000 0.864 425 R HN 0.442 nan 8.270 nan 0.000 0.440 426 R N -0.092 120.319 120.500 -0.147 0.000 2.081 426 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 426 R C 2.086 178.441 176.300 0.091 0.000 1.131 426 R CA 1.617 57.672 56.100 -0.076 0.000 0.960 426 R CB -0.605 29.480 30.300 -0.360 0.000 0.856 426 R HN 0.268 nan 8.270 nan 0.000 0.436 427 F N 1.518 121.386 119.950 -0.135 0.000 2.075 427 F HA -0.211 4.315 4.527 -0.001 0.000 0.297 427 F C 2.136 178.014 175.800 0.131 0.000 1.113 427 F CA 1.685 59.662 58.000 -0.038 0.000 1.218 427 F CB -0.415 38.545 39.000 -0.066 0.000 0.984 427 F HN -0.019 nan 8.300 nan 0.000 0.472 428 H N 0.619 119.520 119.070 -0.282 0.000 2.267 428 H HA -0.113 4.443 4.556 -0.001 0.000 0.297 428 H C 2.248 177.454 175.328 -0.204 0.000 1.080 428 H CA 1.976 57.808 56.048 -0.360 0.000 1.278 428 H CB -0.834 28.821 29.762 -0.179 0.000 1.365 428 H HN 0.209 nan 8.280 nan 0.000 0.489 429 K N -0.323 120.101 120.400 0.041 0.000 1.987 429 K HA -0.155 4.164 4.320 -0.001 0.000 0.216 429 K C 2.305 178.905 176.600 -0.000 0.000 1.051 429 K CA 2.321 58.625 56.287 0.028 0.000 0.942 429 K CB -0.439 32.090 32.500 0.047 0.000 0.722 429 K HN 0.240 nan 8.250 nan 0.000 0.444 430 T N 1.670 116.229 114.554 0.010 0.000 2.699 430 T HA -0.189 4.160 4.350 -0.001 0.000 0.268 430 T C 1.747 176.409 174.700 -0.063 0.000 1.036 430 T CA 1.502 63.595 62.100 -0.012 0.000 1.147 430 T CB -0.315 68.562 68.868 0.014 0.000 0.862 430 T HN 0.132 nan 8.240 nan 0.000 0.446 431 L N 1.188 122.318 121.223 -0.155 0.000 2.012 431 L HA -0.074 4.265 4.340 -0.001 0.000 0.210 431 L C 2.548 179.372 176.870 -0.078 0.000 1.073 431 L CA 1.739 56.480 54.840 -0.165 0.000 0.748 431 L CB -0.338 41.517 42.059 -0.341 0.000 0.891 431 L HN 0.042 nan 8.230 nan 0.000 0.431 432 R N -0.669 119.791 120.500 -0.067 0.000 2.200 432 R HA -0.141 4.198 4.340 -0.001 0.000 0.234 432 R C 2.285 178.577 176.300 -0.015 0.000 1.127 432 R CA 1.329 57.414 56.100 -0.025 0.000 0.989 432 R CB -0.280 30.016 30.300 -0.006 0.000 0.869 432 R HN 0.480 nan 8.270 nan 0.000 0.459 433 R N -0.119 120.371 120.500 -0.018 0.000 2.156 433 R HA 0.123 4.462 4.340 -0.001 0.000 0.207 433 R C 2.225 178.517 176.300 -0.014 0.000 1.040 433 R CA 0.409 56.502 56.100 -0.012 0.000 1.013 433 R CB 0.093 30.387 30.300 -0.009 0.000 0.931 433 R HN 0.141 nan 8.270 nan 0.000 0.465 434 L N 0.188 121.399 121.223 -0.019 0.000 2.179 434 L HA 0.015 4.354 4.340 -0.001 0.000 0.208 434 L C 0.461 177.325 176.870 -0.011 0.000 1.096 434 L CA 0.724 55.555 54.840 -0.015 0.000 0.779 434 L CB 0.363 42.413 42.059 -0.014 0.000 0.922 434 L HN -0.075 nan 8.230 nan 0.000 0.443 435 V N 0.714 120.621 119.914 -0.012 0.000 2.384 435 V HA 0.269 4.388 4.120 -0.001 0.000 0.257 435 V C -2.284 173.804 176.094 -0.010 0.000 0.969 435 V CA -1.149 61.146 62.300 -0.010 0.000 0.910 435 V CB 0.522 32.341 31.823 -0.007 0.000 1.150 435 V HN 0.041 nan 8.190 nan 0.000 0.481 436 P HA 0.404 nan 4.420 nan 0.000 0.279 436 P C -0.131 177.166 177.300 -0.005 0.000 1.276 436 P CA -0.023 63.074 63.100 -0.005 0.000 0.801 436 P CB 0.560 32.258 31.700 -0.004 0.000 1.127 437 D N -2.000 118.399 120.400 -0.002 0.000 2.723 437 D HA -0.102 4.538 4.640 -0.001 0.000 0.236 437 D C -0.675 175.622 176.300 -0.005 0.000 1.138 437 D CA 1.126 55.124 54.000 -0.002 0.000 0.676 437 D CB -1.737 39.062 40.800 -0.002 0.000 1.069 437 D HN 0.265 nan 8.370 nan 0.000 0.430 438 S N -0.186 115.510 115.700 -0.007 0.000 2.569 438 S HA 0.371 4.841 4.470 -0.001 0.000 0.280 438 S C -0.392 174.200 174.600 -0.014 0.000 1.111 438 S CA -0.854 57.339 58.200 -0.013 0.000 0.887 438 S CB 2.321 65.510 63.200 -0.018 0.000 1.095 438 S HN -0.034 nan 8.310 nan 0.000 0.476 439 D N 2.174 122.562 120.400 -0.020 0.000 2.970 439 D HA 0.279 4.918 4.640 -0.001 0.000 0.282 439 D C -0.514 175.758 176.300 -0.046 0.000 1.291 439 D CA -0.020 53.967 54.000 -0.021 0.000 0.967 439 D CB 0.398 41.190 40.800 -0.014 0.000 1.017 439 D HN 0.130 nan 8.370 nan 0.000 0.512 440 V N 1.233 121.106 119.914 -0.068 0.000 2.461 440 V HA 0.287 4.406 4.120 -0.001 0.000 0.275 440 V C 0.643 176.644 176.094 -0.154 0.000 1.047 440 V CA -0.636 61.572 62.300 -0.153 0.000 0.955 440 V CB 1.455 33.145 31.823 -0.221 0.000 0.988 440 V HN 0.176 nan 8.190 nan 0.000 0.471 441 R N 3.886 124.276 120.500 -0.184 0.000 2.445 441 R HA 0.569 4.908 4.340 -0.001 0.000 0.308 441 R C -1.480 174.713 176.300 -0.177 0.000 0.961 441 R CA -0.490 55.562 56.100 -0.080 0.000 0.862 441 R CB 1.026 31.312 30.300 -0.023 0.000 1.144 441 R HN 0.499 nan 8.270 nan 0.000 0.447 442 F N 4.290 124.259 119.950 0.032 0.000 2.421 442 F HA 0.425 4.951 4.527 -0.001 0.000 0.337 442 F C -0.373 175.493 175.800 0.111 0.000 1.105 442 F CA -0.799 57.246 58.000 0.076 0.000 1.049 442 F CB 1.686 40.768 39.000 0.136 0.000 1.139 442 F HN 0.321 nan 8.300 nan 0.000 0.479 443 L N 5.142 126.512 121.223 0.245 0.000 2.376 443 L HA 0.561 4.900 4.340 -0.001 0.000 0.275 443 L C -1.495 175.484 176.870 0.182 0.000 0.987 443 L CA -0.772 54.179 54.840 0.184 0.000 0.828 443 L CB 1.364 43.487 42.059 0.108 0.000 1.249 443 L HN 0.549 nan 8.230 nan 0.000 0.409 444 L N 3.899 125.241 121.223 0.199 0.000 2.319 444 L HA 0.431 4.770 4.340 -0.001 0.000 0.280 444 L C 0.354 177.295 176.870 0.119 0.000 1.099 444 L CA 0.580 55.526 54.840 0.176 0.000 0.828 444 L CB 1.374 43.572 42.059 0.232 0.000 1.150 444 L HN 0.770 nan 8.230 nan 0.000 0.442 445 S N 3.576 119.327 115.700 0.085 0.000 2.498 445 S HA 0.135 4.604 4.470 -0.001 0.000 0.314 445 S C 0.989 175.627 174.600 0.065 0.000 1.141 445 S CA -0.188 58.050 58.200 0.064 0.000 1.087 445 S CB -0.059 63.164 63.200 0.040 0.000 1.178 445 S HN 0.894 nan 8.310 nan 0.000 0.533 446 E N 3.840 124.080 120.200 0.067 0.000 2.028 446 E HA -0.058 4.292 4.350 -0.001 0.000 0.190 446 E C 2.317 178.943 176.600 0.043 0.000 0.984 446 E CA 1.198 57.634 56.400 0.060 0.000 0.800 446 E CB -0.238 29.500 29.700 0.062 0.000 0.758 446 E HN 0.844 nan 8.360 nan 0.000 0.448 447 S N 0.745 116.466 115.700 0.036 0.000 2.653 447 S HA 0.175 4.644 4.470 -0.001 0.000 0.233 447 S C 0.983 175.591 174.600 0.014 0.000 0.970 447 S CA 0.766 58.979 58.200 0.022 0.000 0.947 447 S CB -0.678 62.530 63.200 0.014 0.000 0.771 447 S HN 0.367 nan 8.310 nan 0.000 0.538 448 G N -0.665 108.146 108.800 0.019 0.000 2.782 448 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.228 448 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.228 448 G C 0.667 175.570 174.900 0.004 0.000 1.372 448 G CA 0.094 45.201 45.100 0.013 0.000 0.862 448 G HN 0.456 nan 8.290 nan 0.000 0.547 449 T N 1.052 115.607 114.554 0.002 0.000 2.857 449 T HA 0.093 4.442 4.350 -0.001 0.000 0.266 449 T C 2.750 177.443 174.700 -0.012 0.000 1.048 449 T CA 2.284 64.382 62.100 -0.003 0.000 1.139 449 T CB -0.842 68.027 68.868 0.002 0.000 0.874 449 T HN 1.653 nan 8.240 nan 0.000 0.455 450 G N 2.268 111.063 108.800 -0.009 0.000 2.703 450 G HA2 -0.422 3.537 3.960 -0.001 0.000 0.222 450 G HA3 -0.422 3.537 3.960 -0.001 0.000 0.222 450 G C 1.419 176.291 174.900 -0.046 0.000 1.183 450 G CA 1.766 46.854 45.100 -0.020 0.000 0.775 450 G HN 0.537 nan 8.290 nan 0.000 0.615 451 K N 0.457 120.819 120.400 -0.062 0.000 2.074 451 K HA -0.075 4.244 4.320 -0.001 0.000 0.209 451 K C 2.573 179.086 176.600 -0.145 0.000 1.048 451 K CA 1.850 58.066 56.287 -0.118 0.000 0.926 451 K CB -0.688 31.727 32.500 -0.142 0.000 0.713 451 K HN 0.291 nan 8.250 nan 0.000 0.444 452 G N -0.108 108.636 108.800 -0.093 0.000 2.421 452 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.217 452 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.217 452 G C 1.549 176.401 174.900 -0.080 0.000 1.143 452 G CA 0.630 45.687 45.100 -0.072 0.000 0.784 452 G HN 0.433 nan 8.290 nan 0.000 0.541 453 A N 1.183 123.962 122.820 -0.069 0.000 1.930 453 A HA 0.317 4.636 4.320 -0.001 0.000 0.217 453 A C 2.763 180.261 177.584 -0.145 0.000 1.175 453 A CA 2.051 54.051 52.037 -0.061 0.000 0.627 453 A CB -0.632 18.363 19.000 -0.008 0.000 0.815 453 A HN 0.657 nan 8.150 nan 0.000 0.443 454 A N -0.793 121.904 122.820 -0.205 0.000 1.898 454 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 454 A C 2.096 179.345 177.584 -0.558 0.000 1.181 454 A CA 1.873 53.640 52.037 -0.451 0.000 0.620 454 A CB -0.482 18.336 19.000 -0.303 0.000 0.819 454 A HN 0.395 nan 8.150 nan 0.000 0.442 455 M N -0.361 119.058 119.600 -0.302 0.000 2.267 455 M HA -0.102 4.377 4.480 -0.001 0.000 0.263 455 M C 2.062 178.268 176.300 -0.157 0.000 1.063 455 M CA 1.177 56.361 55.300 -0.193 0.000 1.090 455 M CB -1.257 31.298 32.600 -0.075 0.000 1.392 455 M HN 0.251 nan 8.290 nan 0.000 0.422 456 V N -0.679 119.145 119.914 -0.149 0.000 2.446 456 V HA -0.141 3.979 4.120 -0.001 0.000 0.244 456 V C 2.224 178.256 176.094 -0.103 0.000 1.039 456 V CA 1.675 63.923 62.300 -0.087 0.000 1.045 456 V CB -0.715 31.080 31.823 -0.046 0.000 0.681 456 V HN 0.403 nan 8.190 nan 0.000 0.459 457 T N 0.584 115.025 114.554 -0.188 0.000 2.881 457 T HA -0.123 4.226 4.350 -0.001 0.000 0.270 457 T C 2.008 176.645 174.700 -0.105 0.000 1.068 457 T CA 1.416 63.431 62.100 -0.141 0.000 1.131 457 T CB -0.302 68.454 68.868 -0.185 0.000 0.871 457 T HN 0.534 nan 8.240 nan 0.000 0.479 458 A N 0.892 123.494 122.820 -0.363 0.000 1.877 458 A HA -0.032 4.287 4.320 -0.001 0.000 0.216 458 A C 2.567 180.249 177.584 0.162 0.000 1.186 458 A CA 1.298 53.317 52.037 -0.031 0.000 0.620 458 A CB -0.934 17.994 19.000 -0.119 0.000 0.822 458 A HN 0.355 nan 8.150 nan 0.000 0.443 459 V N -0.253 119.692 119.914 0.051 0.000 2.323 459 V HA -0.173 3.946 4.120 -0.001 0.000 0.244 459 V C 3.066 179.192 176.094 0.054 0.000 1.041 459 V CA 1.759 64.094 62.300 0.058 0.000 1.025 459 V CB -1.141 30.698 31.823 0.026 0.000 0.656 459 V HN 0.606 nan 8.190 nan 0.000 0.451 460 A N -0.822 122.026 122.820 0.047 0.000 1.940 460 A HA -0.304 4.015 4.320 -0.001 0.000 0.219 460 A C 2.160 179.775 177.584 0.051 0.000 1.176 460 A CA 2.322 54.377 52.037 0.029 0.000 0.631 460 A CB -0.774 18.246 19.000 0.032 0.000 0.814 460 A HN 0.656 nan 8.150 nan 0.000 0.446 461 Y N 0.593 120.912 120.300 0.033 0.000 2.133 461 Y HA -0.144 4.405 4.550 -0.002 0.000 0.287 461 Y C 2.874 178.801 175.900 0.045 0.000 1.134 461 Y CA 2.637 60.773 58.100 0.060 0.000 1.133 461 Y CB -0.906 37.645 38.460 0.151 0.000 0.987 461 Y HN 0.394 nan 8.280 nan 0.000 0.502 462 R N 1.073 121.505 120.500 -0.113 0.000 2.115 462 R HA -0.185 4.154 4.340 -0.001 0.000 0.239 462 R C 2.420 178.612 176.300 -0.179 0.000 1.133 462 R CA 2.309 58.310 56.100 -0.166 0.000 0.935 462 R CB -1.891 28.412 30.300 0.004 0.000 0.853 462 R HN 0.592 nan 8.270 nan 0.000 0.433 463 L N -0.033 121.135 121.223 -0.092 0.000 2.012 463 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 463 L C 3.211 180.049 176.870 -0.054 0.000 1.073 463 L CA 1.510 56.332 54.840 -0.031 0.000 0.748 463 L CB -0.866 41.172 42.059 -0.036 0.000 0.891 463 L HN 0.569 nan 8.230 nan 0.000 0.431 464 A N -0.100 122.603 122.820 -0.196 0.000 1.986 464 A HA -0.275 4.044 4.320 -0.001 0.000 0.220 464 A C 2.180 179.646 177.584 -0.197 0.000 1.171 464 A CA 2.135 54.045 52.037 -0.212 0.000 0.640 464 A CB -0.433 18.472 19.000 -0.158 0.000 0.811 464 A HN 0.434 nan 8.150 nan 0.000 0.451 465 E N 0.157 120.170 120.200 -0.311 0.000 2.076 465 E HA -0.198 4.151 4.350 -0.001 0.000 0.190 465 E C 2.264 178.728 176.600 -0.226 0.000 0.979 465 E CA 1.512 57.740 56.400 -0.287 0.000 0.807 465 E CB -0.375 29.084 29.700 -0.402 0.000 0.761 465 E HN 0.833 nan 8.360 nan 0.000 0.454 466 Q N -1.101 118.542 119.800 -0.261 0.000 2.167 466 Q HA -0.183 4.156 4.340 -0.001 0.000 0.202 466 Q C 1.485 177.085 176.000 -0.668 0.000 0.970 466 Q CA 1.714 57.205 55.803 -0.521 0.000 0.855 466 Q CB -0.466 27.929 28.738 -0.572 0.000 0.911 466 Q HN 0.379 nan 8.270 nan 0.000 0.438 467 H N 0.232 119.024 119.070 -0.463 0.000 2.521 467 H HA 0.053 4.608 4.556 -0.002 0.000 0.286 467 H C 1.914 177.065 175.328 -0.296 0.000 1.034 467 H CA 1.379 57.196 56.048 -0.386 0.000 1.278 467 H CB 0.094 29.694 29.762 -0.269 0.000 1.386 467 H HN 0.288 nan 8.280 nan 0.000 0.567 468 R N 0.682 121.098 120.500 -0.141 0.000 2.075 468 R HA -0.086 4.253 4.340 -0.001 0.000 0.226 468 R C 1.536 177.781 176.300 -0.092 0.000 1.114 468 R CA 1.161 57.204 56.100 -0.096 0.000 0.972 468 R CB 0.157 30.412 30.300 -0.076 0.000 0.869 468 R HN 0.412 nan 8.270 nan 0.000 0.437 469 Q N 0.322 120.043 119.800 -0.132 0.000 2.079 469 Q HA -0.102 4.237 4.340 -0.001 0.000 0.200 469 Q C 2.245 178.251 176.000 0.010 0.000 0.974 469 Q CA 1.480 57.276 55.803 -0.011 0.000 0.840 469 Q CB -0.059 28.740 28.738 0.101 0.000 0.898 469 Q HN 0.382 nan 8.270 nan 0.000 0.430 470 I N 0.876 121.294 120.570 -0.254 0.000 2.208 470 I HA -0.275 3.894 4.170 -0.001 0.000 0.245 470 I C 2.370 178.486 176.117 -0.001 0.000 1.097 470 I CA 1.157 62.262 61.300 -0.326 0.000 1.363 470 I CB -0.107 37.468 38.000 -0.709 0.000 1.051 470 I HN 0.191 nan 8.210 nan 0.000 0.413 471 E N 1.066 121.234 120.200 -0.054 0.000 2.204 471 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 471 E C 1.881 178.498 176.600 0.027 0.000 0.989 471 E CA 1.218 57.618 56.400 0.000 0.000 0.824 471 E CB -0.043 29.637 29.700 -0.033 0.000 0.756 471 E HN 0.392 nan 8.360 nan 0.000 0.477 472 E N -1.211 119.014 120.200 0.042 0.000 2.274 472 E HA -0.080 4.269 4.350 -0.001 0.000 0.194 472 E C 1.413 178.057 176.600 0.074 0.000 0.996 472 E CA 1.280 57.697 56.400 0.028 0.000 0.840 472 E CB 0.181 29.919 29.700 0.064 0.000 0.772 472 E HN 0.233 nan 8.360 nan 0.000 0.491 473 T N 0.703 115.410 114.554 0.255 0.000 2.755 473 T HA -0.018 4.331 4.350 -0.001 0.000 0.251 473 T C 1.821 176.799 174.700 0.463 0.000 1.044 473 T CA 0.547 62.926 62.100 0.464 0.000 1.154 473 T CB -0.191 69.080 68.868 0.672 0.000 0.866 473 T HN 0.098 nan 8.240 nan 0.000 0.416 474 L N 1.369 122.809 121.223 0.362 0.000 2.189 474 L HA -0.128 4.211 4.340 -0.001 0.000 0.214 474 L C 3.015 180.051 176.870 0.276 0.000 1.097 474 L CA 0.996 56.019 54.840 0.304 0.000 0.764 474 L CB -0.976 41.179 42.059 0.160 0.000 0.900 474 L HN 0.257 nan 8.230 nan 0.000 0.436 475 A N 0.005 122.886 122.820 0.102 0.000 1.986 475 A HA -0.264 4.055 4.320 -0.001 0.000 0.220 475 A C 1.918 179.483 177.584 -0.032 0.000 1.171 475 A CA 1.964 53.979 52.037 -0.036 0.000 0.640 475 A CB -0.878 18.011 19.000 -0.184 0.000 0.811 475 A HN 0.534 nan 8.150 nan 0.000 0.451 476 H N -2.584 116.575 119.070 0.149 0.000 2.462 476 H HA 0.028 4.582 4.556 -0.003 0.000 0.292 476 H C 0.531 175.756 175.328 -0.172 0.000 1.049 476 H CA 1.101 57.119 56.048 -0.051 0.000 1.334 476 H CB -0.060 29.593 29.762 -0.183 0.000 1.404 476 H HN 0.566 nan 8.280 nan 0.000 0.544 477 F N 0.801 120.836 119.950 0.142 0.000 2.663 477 F HA 0.224 4.751 4.527 0.000 0.000 0.299 477 F C 0.237 176.058 175.800 0.035 0.000 1.143 477 F CA -0.040 58.008 58.000 0.080 0.000 1.387 477 F CB 0.102 39.143 39.000 0.068 0.000 1.019 477 F HN -0.098 nan 8.300 nan 0.000 0.523 478 R N 1.473 122.058 120.500 0.141 0.000 2.312 478 R HA 0.500 4.840 4.340 -0.001 0.000 0.310 478 R C -0.999 175.321 176.300 0.033 0.000 1.064 478 R CA -0.405 55.740 56.100 0.074 0.000 0.983 478 R CB 1.276 31.610 30.300 0.057 0.000 1.139 478 R HN 0.181 nan 8.270 nan 0.000 0.536 479 L N 1.940 123.175 121.223 0.020 0.000 2.325 479 L HA 0.395 4.734 4.340 -0.001 0.000 0.279 479 L C 0.770 177.641 176.870 0.002 0.000 1.054 479 L CA -0.702 54.141 54.840 0.006 0.000 0.804 479 L CB 1.568 43.628 42.059 0.002 0.000 1.200 479 L HN 0.571 nan 8.230 nan 0.000 0.436 480 S N 0.698 116.398 115.700 0.000 0.000 2.632 480 S HA 0.187 4.656 4.470 -0.001 0.000 0.271 480 S C 0.782 175.382 174.600 0.001 0.000 1.260 480 S CA -0.852 57.347 58.200 -0.001 0.000 1.010 480 S CB 1.730 64.929 63.200 -0.002 0.000 0.965 480 S HN 0.729 nan 8.310 nan 0.000 0.534 481 K N 0.447 120.847 120.400 0.000 0.000 2.218 481 K HA -0.222 4.097 4.320 -0.001 0.000 0.205 481 K C 2.088 178.691 176.600 0.005 0.000 1.046 481 K CA 1.566 57.855 56.287 0.003 0.000 0.933 481 K CB -0.192 32.310 32.500 0.003 0.000 0.728 481 K HN 0.756 nan 8.250 nan 0.000 0.454 482 Q N -0.479 119.323 119.800 0.003 0.000 2.123 482 Q HA -0.105 4.235 4.340 -0.001 0.000 0.199 482 Q C 1.537 177.540 176.000 0.005 0.000 0.966 482 Q CA 1.725 57.530 55.803 0.003 0.000 0.845 482 Q CB 0.175 28.913 28.738 0.001 0.000 0.907 482 Q HN 0.356 nan 8.270 nan 0.000 0.439 483 T N 1.022 115.578 114.554 0.004 0.000 2.851 483 T HA 0.001 4.350 4.350 -0.001 0.000 0.262 483 T C 1.736 176.446 174.700 0.016 0.000 1.043 483 T CA 0.585 62.689 62.100 0.006 0.000 1.140 483 T CB -0.026 68.842 68.868 0.000 0.000 0.872 483 T HN 0.225 nan 8.240 nan 0.000 0.446 484 L N 0.140 121.373 121.223 0.017 0.000 2.275 484 L HA -0.021 4.318 4.340 -0.001 0.000 0.215 484 L C 2.429 179.315 176.870 0.028 0.000 1.119 484 L CA 0.718 55.574 54.840 0.027 0.000 0.790 484 L CB -0.417 41.653 42.059 0.019 0.000 0.919 484 L HN 0.278 nan 8.230 nan 0.000 0.443 485 M N -0.618 118.993 119.600 0.019 0.000 2.287 485 M HA -0.088 4.391 4.480 -0.001 0.000 0.266 485 M C 2.141 178.450 176.300 0.016 0.000 1.079 485 M CA 1.547 56.856 55.300 0.015 0.000 1.146 485 M CB -0.257 32.349 32.600 0.009 0.000 1.374 485 M HN 0.022 nan 8.290 nan 0.000 0.435 486 E N -0.652 119.559 120.200 0.018 0.000 2.072 486 E HA -0.092 4.257 4.350 -0.001 0.000 0.190 486 E C 2.040 178.667 176.600 0.045 0.000 0.982 486 E CA 1.092 57.505 56.400 0.022 0.000 0.803 486 E CB -0.272 29.437 29.700 0.014 0.000 0.755 486 E HN 0.282 nan 8.360 nan 0.000 0.453 487 V N 1.987 121.937 119.914 0.060 0.000 2.392 487 V HA -0.281 3.838 4.120 -0.001 0.000 0.249 487 V C 2.610 178.774 176.094 0.116 0.000 1.059 487 V CA 2.120 64.494 62.300 0.123 0.000 1.051 487 V CB -0.455 31.441 31.823 0.122 0.000 0.658 487 V HN 0.256 nan 8.190 nan 0.000 0.455 488 K N 0.797 121.223 120.400 0.044 0.000 2.002 488 K HA -0.220 4.099 4.320 -0.001 0.000 0.209 488 K C 2.343 178.915 176.600 -0.047 0.000 1.048 488 K CA 2.120 58.398 56.287 -0.014 0.000 0.930 488 K CB -0.317 32.181 32.500 -0.004 0.000 0.714 488 K HN 0.413 nan 8.250 nan 0.000 0.438 489 K N 0.488 120.878 120.400 -0.016 0.000 2.209 489 K HA -0.123 4.196 4.320 -0.001 0.000 0.204 489 K C 2.332 178.918 176.600 -0.023 0.000 1.048 489 K CA 1.882 58.155 56.287 -0.023 0.000 0.940 489 K CB -1.212 31.284 32.500 -0.006 0.000 0.729 489 K HN 0.536 nan 8.250 nan 0.000 0.451 490 R N 0.099 120.613 120.500 0.023 0.000 2.127 490 R HA 0.332 4.671 4.340 -0.001 0.000 0.217 490 R C 2.339 178.582 176.300 -0.096 0.000 1.074 490 R CA 1.270 57.414 56.100 0.074 0.000 0.991 490 R CB -0.991 29.452 30.300 0.239 0.000 0.895 490 R HN 0.435 nan 8.270 nan 0.000 0.450 491 L N 0.763 121.755 121.223 -0.386 0.000 1.994 491 L HA -0.064 4.276 4.340 -0.001 0.000 0.208 491 L C 2.571 179.188 176.870 -0.422 0.000 1.071 491 L CA 2.533 56.832 54.840 -0.902 0.000 0.745 491 L CB -0.507 40.987 42.059 -0.941 0.000 0.892 491 L HN 0.387 nan 8.230 nan 0.000 0.431 492 R N -0.785 119.565 120.500 -0.249 0.000 2.117 492 R HA -0.169 4.171 4.340 -0.001 0.000 0.243 492 R C 2.005 178.238 176.300 -0.112 0.000 1.143 492 R CA 2.392 58.400 56.100 -0.155 0.000 0.968 492 R CB -1.188 29.047 30.300 -0.109 0.000 0.863 492 R HN 0.458 nan 8.270 nan 0.000 0.444 493 T N 1.015 115.512 114.554 -0.095 0.000 2.737 493 T HA -0.071 4.278 4.350 -0.001 0.000 0.265 493 T C 1.394 176.062 174.700 -0.052 0.000 1.038 493 T CA 1.378 63.447 62.100 -0.051 0.000 1.144 493 T CB -0.212 68.644 68.868 -0.021 0.000 0.866 493 T HN 0.275 nan 8.240 nan 0.000 0.434 494 E N 0.964 121.113 120.200 -0.085 0.000 2.118 494 E HA -0.059 4.291 4.350 -0.001 0.000 0.195 494 E C 2.155 178.718 176.600 -0.062 0.000 0.992 494 E CA 0.981 57.340 56.400 -0.068 0.000 0.804 494 E CB -0.348 29.286 29.700 -0.109 0.000 0.741 494 E HN 0.542 nan 8.360 nan 0.000 0.458 495 M N 0.167 119.712 119.600 -0.092 0.000 2.159 495 M HA -0.184 4.295 4.480 -0.001 0.000 0.263 495 M C 2.098 178.394 176.300 -0.008 0.000 1.063 495 M CA 1.335 56.612 55.300 -0.039 0.000 1.110 495 M CB -0.116 32.453 32.600 -0.051 0.000 1.374 495 M HN -0.064 nan 8.290 nan 0.000 0.411 496 E N 0.195 120.383 120.200 -0.020 0.000 2.072 496 E HA -0.113 4.236 4.350 -0.001 0.000 0.191 496 E C 1.882 178.480 176.600 -0.002 0.000 0.985 496 E CA 1.254 57.649 56.400 -0.008 0.000 0.801 496 E CB -0.061 29.631 29.700 -0.014 0.000 0.750 496 E HN 0.409 nan 8.360 nan 0.000 0.452 497 M N -1.014 118.584 119.600 -0.003 0.000 2.358 497 M HA -0.064 4.415 4.480 -0.001 0.000 0.264 497 M C 1.770 178.077 176.300 0.011 0.000 1.064 497 M CA 1.377 56.680 55.300 0.006 0.000 1.093 497 M CB 0.040 32.647 32.600 0.011 0.000 1.401 497 M HN 0.199 nan 8.290 nan 0.000 0.440 498 G N -0.949 107.857 108.800 0.010 0.000 2.986 498 G HA2 0.131 4.090 3.960 -0.001 0.000 0.213 498 G HA3 0.131 4.090 3.960 -0.001 0.000 0.213 498 G C 1.352 176.253 174.900 0.001 0.000 1.156 498 G CA -0.150 44.957 45.100 0.013 0.000 0.763 498 G HN 0.298 nan 8.290 nan 0.000 0.547 499 L N -0.351 120.871 121.223 -0.001 0.000 2.162 499 L HA 0.256 4.596 4.340 -0.001 0.000 0.205 499 L C 1.572 178.436 176.870 -0.010 0.000 1.086 499 L CA 0.244 55.076 54.840 -0.013 0.000 0.778 499 L CB -0.029 42.026 42.059 -0.007 0.000 0.928 499 L HN 0.004 nan 8.230 nan 0.000 0.446 500 R N 0.465 120.964 120.500 -0.002 0.000 2.539 500 R HA 0.079 4.418 4.340 -0.001 0.000 0.275 500 R C 1.020 177.325 176.300 0.007 0.000 1.077 500 R CA -0.313 55.788 56.100 0.001 0.000 1.097 500 R CB 0.929 31.230 30.300 0.003 0.000 1.018 500 R HN 0.061 nan 8.270 nan 0.000 0.483 501 K N 1.084 121.490 120.400 0.009 0.000 2.057 501 K HA -0.179 4.140 4.320 -0.001 0.000 0.206 501 K C 1.921 178.532 176.600 0.018 0.000 1.050 501 K CA 1.392 57.689 56.287 0.017 0.000 0.935 501 K CB 0.006 32.516 32.500 0.017 0.000 0.715 501 K HN 0.456 nan 8.250 nan 0.000 0.439 502 E N 0.694 120.902 120.200 0.013 0.000 2.130 502 E HA -0.161 4.188 4.350 -0.001 0.000 0.196 502 E C 1.907 178.516 176.600 0.014 0.000 0.998 502 E CA 1.961 58.369 56.400 0.013 0.000 0.806 502 E CB -0.369 29.337 29.700 0.009 0.000 0.738 502 E HN 0.690 nan 8.360 nan 0.000 0.459 503 T N -2.479 112.083 114.554 0.015 0.000 2.990 503 T HA 0.076 4.425 4.350 -0.001 0.000 0.249 503 T C 1.825 176.538 174.700 0.022 0.000 1.039 503 T CA 0.542 62.651 62.100 0.016 0.000 1.036 503 T CB -0.414 68.462 68.868 0.013 0.000 0.994 503 T HN 0.203 nan 8.240 nan 0.000 0.489 504 N N 2.507 121.221 118.700 0.023 0.000 2.064 504 N HA -0.196 4.543 4.740 -0.001 0.000 0.200 504 N C 1.742 177.276 175.510 0.039 0.000 1.028 504 N CA 2.205 55.273 53.050 0.030 0.000 0.880 504 N CB -0.639 37.867 38.487 0.033 0.000 1.062 504 N HN 0.441 nan 8.380 nan 0.000 0.454 505 S N 0.230 115.954 115.700 0.039 0.000 2.469 505 S HA -0.085 4.384 4.470 -0.001 0.000 0.238 505 S C 2.156 176.778 174.600 0.036 0.000 0.998 505 S CA 1.726 59.950 58.200 0.041 0.000 0.957 505 S CB -0.207 63.014 63.200 0.035 0.000 0.764 505 S HN 0.729 nan 8.310 nan 0.000 0.514 506 K N 1.217 121.636 120.400 0.032 0.000 2.242 506 K HA 0.579 4.898 4.320 -0.001 0.000 0.200 506 K C 0.978 177.600 176.600 0.036 0.000 1.050 506 K CA 0.728 57.033 56.287 0.030 0.000 0.981 506 K CB -0.808 31.706 32.500 0.024 0.000 0.795 506 K HN 0.461 nan 8.250 nan 0.000 0.477 507 A N 2.309 125.151 122.820 0.037 0.000 2.545 507 A HA 0.304 4.623 4.320 -0.001 0.000 0.253 507 A C 1.543 179.161 177.584 0.057 0.000 1.074 507 A CA 0.535 52.598 52.037 0.043 0.000 0.760 507 A CB -0.368 18.653 19.000 0.035 0.000 1.005 507 A HN 0.620 nan 8.150 nan 0.000 0.506 508 T N 0.657 115.253 114.554 0.071 0.000 2.942 508 T HA 0.018 4.367 4.350 -0.001 0.000 0.265 508 T C 0.612 175.376 174.700 0.107 0.000 1.062 508 T CA 0.872 63.025 62.100 0.089 0.000 1.139 508 T CB -0.227 68.700 68.868 0.097 0.000 0.883 508 T HN 0.267 nan 8.240 nan 0.000 0.468 509 V N 3.548 123.521 119.914 0.099 0.000 2.322 509 V HA 0.216 4.336 4.120 -0.001 0.000 0.258 509 V C 0.156 176.289 176.094 0.065 0.000 1.074 509 V CA -0.833 61.523 62.300 0.093 0.000 0.909 509 V CB 0.155 32.001 31.823 0.039 0.000 1.090 509 V HN 0.358 nan 8.190 nan 0.000 0.486 510 K N 5.792 126.234 120.400 0.070 0.000 2.298 510 K HA 0.436 4.755 4.320 -0.001 0.000 0.280 510 K C -0.364 176.254 176.600 0.031 0.000 1.032 510 K CA -0.363 55.954 56.287 0.049 0.000 0.958 510 K CB 1.092 33.626 32.500 0.057 0.000 0.978 510 K HN 0.398 nan 8.250 nan 0.000 0.472 511 M N 4.497 124.101 119.600 0.007 0.000 2.628 511 M HA 0.241 4.720 4.480 -0.001 0.000 0.327 511 M C -0.343 175.918 176.300 -0.065 0.000 1.223 511 M CA -0.475 54.815 55.300 -0.017 0.000 1.221 511 M CB -0.283 32.311 32.600 -0.009 0.000 1.202 511 M HN 0.358 nan 8.290 nan 0.000 0.473 512 L N 4.798 125.980 121.223 -0.068 0.000 2.462 512 L HA 0.156 4.495 4.340 -0.001 0.000 0.272 512 L C -1.958 174.811 176.870 -0.169 0.000 1.166 512 L CA -1.466 53.312 54.840 -0.103 0.000 0.880 512 L CB 0.004 42.025 42.059 -0.065 0.000 1.142 512 L HN 0.204 nan 8.230 nan 0.000 0.473 513 P HA 0.094 nan 4.420 nan 0.000 0.287 513 P C -0.799 176.299 177.300 -0.337 0.000 1.307 513 P CA -0.369 62.505 63.100 -0.377 0.000 0.777 513 P CB 1.120 32.519 31.700 -0.502 0.000 0.883 514 S N 2.839 118.362 115.700 -0.295 0.000 2.462 514 S HA 0.425 4.894 4.470 -0.001 0.000 0.294 514 S C -0.027 174.451 174.600 -0.204 0.000 1.144 514 S CA -0.582 57.544 58.200 -0.123 0.000 1.088 514 S CB 0.115 63.256 63.200 -0.098 0.000 1.009 514 S HN 0.122 nan 8.310 nan 0.000 0.484 515 F N 2.730 122.647 119.950 -0.055 0.000 2.869 515 F HA 0.259 4.785 4.527 -0.000 0.000 0.298 515 F C 0.170 175.943 175.800 -0.044 0.000 1.235 515 F CA -0.379 57.592 58.000 -0.048 0.000 1.402 515 F CB -0.193 38.786 39.000 -0.034 0.000 1.142 515 F HN 0.361 nan 8.300 nan 0.000 0.529 516 V N 1.342 121.256 119.914 0.001 0.000 2.318 516 V HA 0.236 4.355 4.120 -0.001 0.000 0.271 516 V C 0.976 177.038 176.094 -0.055 0.000 1.030 516 V CA -0.411 61.883 62.300 -0.010 0.000 0.844 516 V CB 1.169 32.974 31.823 -0.031 0.000 1.015 516 V HN 0.373 nan 8.190 nan 0.000 0.460 517 R N 2.287 122.771 120.500 -0.027 0.000 2.334 517 R HA 0.337 4.676 4.340 -0.001 0.000 0.216 517 R C 0.467 176.743 176.300 -0.040 0.000 0.905 517 R CA 0.108 56.180 56.100 -0.047 0.000 1.064 517 R CB 0.763 31.049 30.300 -0.022 0.000 1.046 517 R HN 0.594 nan 8.270 nan 0.000 0.508 518 S N 0.161 115.843 115.700 -0.030 0.000 2.567 518 S HA 0.359 4.828 4.470 -0.001 0.000 0.270 518 S C -1.007 173.581 174.600 -0.019 0.000 1.152 518 S CA -0.998 57.187 58.200 -0.025 0.000 0.835 518 S CB 0.981 64.173 63.200 -0.014 0.000 1.115 518 S HN 0.270 nan 8.310 nan 0.000 0.459 519 I N 0.839 121.399 120.570 -0.018 0.000 2.581 519 I HA 0.545 4.715 4.170 -0.001 0.000 0.288 519 I C -2.467 173.652 176.117 0.003 0.000 1.047 519 I CA -2.113 59.182 61.300 -0.008 0.000 1.374 519 I CB -0.011 37.981 38.000 -0.014 0.000 1.423 519 I HN 0.351 nan 8.210 nan 0.000 0.549 520 P HA -0.117 nan 4.420 nan 0.000 0.260 520 P C -0.699 176.604 177.300 0.004 0.000 1.147 520 P CA 0.662 63.789 63.100 0.046 0.000 0.758 520 P CB 0.200 31.981 31.700 0.136 0.000 0.744 521 D N 2.226 122.633 120.400 0.012 0.000 2.336 521 D HA 0.138 4.778 4.640 -0.001 0.000 0.228 521 D C 1.362 177.659 176.300 -0.006 0.000 1.120 521 D CA 0.103 54.102 54.000 -0.002 0.000 0.839 521 D CB -0.719 40.087 40.800 0.009 0.000 0.932 521 D HN 0.473 nan 8.370 nan 0.000 0.509 522 G N 0.566 109.357 108.800 -0.015 0.000 2.200 522 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.267 522 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.267 522 G C 1.013 175.935 174.900 0.037 0.000 0.993 522 G CA 1.175 46.261 45.100 -0.023 0.000 0.701 522 G HN 0.712 nan 8.290 nan 0.000 0.524 523 T N -2.891 111.702 114.554 0.064 0.000 3.040 523 T HA 0.469 4.818 4.350 -0.001 0.000 0.266 523 T C 0.548 175.334 174.700 0.144 0.000 1.005 523 T CA 0.547 62.701 62.100 0.091 0.000 0.906 523 T CB 0.747 69.651 68.868 0.060 0.000 1.082 523 T HN 0.295 nan 8.240 nan 0.000 0.531 524 E N 1.692 121.983 120.200 0.153 0.000 2.415 524 E HA 0.497 4.847 4.350 -0.001 0.000 0.262 524 E C -0.475 176.297 176.600 0.288 0.000 1.038 524 E CA 0.302 56.817 56.400 0.192 0.000 0.921 524 E CB 0.334 30.118 29.700 0.140 0.000 0.950 524 E HN 0.629 nan 8.360 nan 0.000 0.438 525 H N -0.388 118.816 119.070 0.224 0.000 3.079 525 H HA 0.606 5.161 4.556 -0.001 0.000 0.356 525 H C -0.276 175.225 175.328 0.287 0.000 1.221 525 H CA 0.250 56.425 56.048 0.212 0.000 1.185 525 H CB 1.427 31.265 29.762 0.127 0.000 1.882 525 H HN 0.650 nan 8.280 nan 0.000 0.543 526 G N 2.031 110.950 108.800 0.199 0.000 2.347 526 G HA2 0.153 4.112 3.960 -0.001 0.000 0.341 526 G HA3 0.153 4.112 3.960 -0.001 0.000 0.341 526 G C -1.949 172.806 174.900 -0.242 0.000 1.287 526 G CA -0.741 44.310 45.100 -0.082 0.000 0.984 526 G HN 0.567 nan 8.290 nan 0.000 0.526 527 D N 0.224 120.289 120.400 -0.558 0.000 2.471 527 D HA 0.681 5.321 4.640 -0.001 0.000 0.245 527 D C -0.784 175.198 176.300 -0.530 0.000 1.116 527 D CA 0.114 53.928 54.000 -0.310 0.000 0.853 527 D CB 1.017 41.719 40.800 -0.163 0.000 1.123 527 D HN 0.308 nan 8.370 nan 0.000 0.540 528 F N 0.774 120.763 119.950 0.065 0.000 2.563 528 F HA 0.483 5.009 4.527 -0.001 0.000 0.316 528 F C 0.190 176.045 175.800 0.091 0.000 1.076 528 F CA -1.042 57.001 58.000 0.072 0.000 0.921 528 F CB 1.382 40.421 39.000 0.064 0.000 1.209 528 F HN -0.037 nan 8.300 nan 0.000 0.462 529 L N 2.332 123.717 121.223 0.269 0.000 2.379 529 L HA 0.849 5.188 4.340 -0.001 0.000 0.269 529 L C -0.255 176.735 176.870 0.199 0.000 1.084 529 L CA -0.813 54.156 54.840 0.215 0.000 0.802 529 L CB 1.573 43.732 42.059 0.168 0.000 1.175 529 L HN 0.820 nan 8.230 nan 0.000 0.448 530 A N 3.748 126.655 122.820 0.145 0.000 2.488 530 A HA 0.689 5.008 4.320 -0.001 0.000 0.295 530 A C -1.202 176.446 177.584 0.106 0.000 1.045 530 A CA -0.509 51.607 52.037 0.133 0.000 0.703 530 A CB 1.292 20.355 19.000 0.106 0.000 1.271 530 A HN 0.579 nan 8.150 nan 0.000 0.400 531 L N 1.454 122.808 121.223 0.219 0.000 2.334 531 L HA 0.580 4.919 4.340 -0.001 0.000 0.275 531 L C -0.744 176.334 176.870 0.348 0.000 1.036 531 L CA -0.755 54.277 54.840 0.320 0.000 0.807 531 L CB 1.836 44.218 42.059 0.538 0.000 1.231 531 L HN 0.700 nan 8.230 nan 0.000 0.438 532 D N 3.078 123.673 120.400 0.324 0.000 2.389 532 D HA 0.431 5.070 4.640 -0.001 0.000 0.256 532 D C -1.477 175.084 176.300 0.434 0.000 1.239 532 D CA -0.246 53.908 54.000 0.256 0.000 0.925 532 D CB 1.480 42.339 40.800 0.099 0.000 1.145 532 D HN 0.174 nan 8.370 nan 0.000 0.542 533 L N 2.402 123.865 121.223 0.400 0.000 2.333 533 L HA 0.834 5.173 4.340 -0.001 0.000 0.269 533 L C 1.155 178.065 176.870 0.066 0.000 1.010 533 L CA 0.484 55.548 54.840 0.373 0.000 0.818 533 L CB 1.993 44.302 42.059 0.415 0.000 1.306 533 L HN 0.547 nan 8.230 nan 0.000 0.430 534 G N 1.978 110.762 108.800 -0.026 0.000 2.491 534 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.203 534 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.203 534 G C 0.517 175.317 174.900 -0.167 0.000 1.052 534 G CA 0.161 45.037 45.100 -0.374 0.000 0.675 534 G HN 1.167 nan 8.290 nan 0.000 0.504 535 G N -0.044 108.727 108.800 -0.050 0.000 2.711 535 G HA2 0.410 4.369 3.960 -0.001 0.000 0.186 535 G HA3 0.410 4.369 3.960 -0.001 0.000 0.186 535 G C 1.604 176.543 174.900 0.065 0.000 1.635 535 G CA 2.536 47.627 45.100 -0.014 0.000 1.065 535 G HN 1.311 nan 8.290 nan 0.000 0.545 536 T N -2.272 112.311 114.554 0.048 0.000 2.983 536 T HA 0.096 4.445 4.350 -0.001 0.000 0.250 536 T C 0.828 175.582 174.700 0.089 0.000 1.037 536 T CA 0.475 62.607 62.100 0.053 0.000 1.142 536 T CB -0.133 68.738 68.868 0.006 0.000 0.876 536 T HN 0.300 nan 8.240 nan 0.000 0.455 537 N N 1.131 119.883 118.700 0.087 0.000 2.424 537 N HA 0.485 5.224 4.740 -0.001 0.000 0.271 537 N C -1.668 173.950 175.510 0.181 0.000 0.985 537 N CA -0.792 52.322 53.050 0.106 0.000 0.921 537 N CB 1.190 39.697 38.487 0.034 0.000 1.149 537 N HN 0.290 nan 8.380 nan 0.000 0.492 538 F N 4.254 124.277 119.950 0.121 0.000 2.420 538 F HA 0.395 4.921 4.527 -0.002 0.000 0.352 538 F C 0.156 176.039 175.800 0.138 0.000 1.108 538 F CA -0.790 57.304 58.000 0.157 0.000 1.162 538 F CB 0.331 39.467 39.000 0.226 0.000 1.118 538 F HN 0.436 nan 8.300 nan 0.000 0.510 539 R N 4.861 125.040 120.500 -0.535 0.000 2.771 539 R HA 0.823 5.162 4.340 -0.001 0.000 0.274 539 R C -2.256 173.635 176.300 -0.682 0.000 0.987 539 R CA -1.100 54.639 56.100 -0.603 0.000 0.908 539 R CB 1.597 31.739 30.300 -0.264 0.000 1.213 539 R HN 0.402 nan 8.270 nan 0.000 0.468 540 V N 2.739 122.241 119.914 -0.686 0.000 2.483 540 V HA 0.515 4.634 4.120 -0.001 0.000 0.295 540 V C -0.566 174.983 176.094 -0.908 0.000 1.035 540 V CA -0.813 61.056 62.300 -0.718 0.000 0.896 540 V CB 1.237 32.562 31.823 -0.829 0.000 0.986 540 V HN 0.555 nan 8.190 nan 0.000 0.447 541 L N 4.554 125.488 121.223 -0.482 0.000 2.309 541 L HA 0.733 5.072 4.340 -0.001 0.000 0.261 541 L C -0.829 176.158 176.870 0.195 0.000 1.021 541 L CA -0.642 54.095 54.840 -0.170 0.000 0.823 541 L CB 1.893 43.933 42.059 -0.032 0.000 1.366 541 L HN 0.544 nan 8.230 nan 0.000 0.423 542 L N 1.463 122.926 121.223 0.400 0.000 2.404 542 L HA 0.798 5.137 4.340 -0.001 0.000 0.272 542 L C -1.440 175.594 176.870 0.273 0.000 0.980 542 L CA -0.295 54.777 54.840 0.388 0.000 0.836 542 L CB 1.835 44.147 42.059 0.423 0.000 1.238 542 L HN 0.313 nan 8.230 nan 0.000 0.408 543 V N 4.460 124.506 119.914 0.220 0.000 2.407 543 V HA 0.466 4.585 4.120 -0.001 0.000 0.291 543 V C -0.235 175.977 176.094 0.197 0.000 1.018 543 V CA -0.763 61.633 62.300 0.161 0.000 0.842 543 V CB 1.386 33.283 31.823 0.122 0.000 0.996 543 V HN 0.622 nan 8.190 nan 0.000 0.426 544 K N 5.596 126.067 120.400 0.118 0.000 2.296 544 K HA 0.558 4.877 4.320 -0.001 0.000 0.257 544 K C -0.559 176.071 176.600 0.050 0.000 1.088 544 K CA -0.197 56.139 56.287 0.081 0.000 0.980 544 K CB 0.975 33.505 32.500 0.051 0.000 1.430 544 K HN 0.587 nan 8.250 nan 0.000 0.441 545 I N 1.973 122.613 120.570 0.117 0.000 2.662 545 I HA 0.252 4.421 4.170 -0.001 0.000 0.291 545 I C 0.222 176.249 176.117 -0.150 0.000 1.046 545 I CA -0.532 60.802 61.300 0.057 0.000 1.361 545 I CB 0.863 38.974 38.000 0.184 0.000 1.429 545 I HN 0.320 nan 8.210 nan 0.000 0.558 546 R N 2.757 123.125 120.500 -0.219 0.000 2.912 546 R HA 0.273 4.612 4.340 -0.001 0.000 0.278 546 R C -1.562 174.646 176.300 -0.153 0.000 1.533 546 R CA -0.260 55.505 56.100 -0.560 0.000 1.061 546 R CB 1.466 31.566 30.300 -0.334 0.000 1.313 546 R HN 0.535 nan 8.270 nan 0.000 0.443 547 S N 1.064 116.809 115.700 0.075 0.000 2.429 547 S HA 0.814 5.283 4.470 -0.001 0.000 0.302 547 S C 0.098 174.846 174.600 0.246 0.000 1.115 547 S CA 0.024 58.337 58.200 0.188 0.000 1.095 547 S CB 1.686 65.000 63.200 0.191 0.000 0.987 547 S HN 0.739 nan 8.310 nan 0.000 0.474 548 G N 1.716 110.601 108.800 0.142 0.000 3.255 548 G HA2 0.501 4.460 3.960 -0.001 0.000 0.161 548 G HA3 0.501 4.460 3.960 -0.001 0.000 0.161 548 G C 0.808 175.749 174.900 0.067 0.000 1.173 548 G CA 0.093 45.264 45.100 0.117 0.000 1.106 548 G HN 0.602 nan 8.290 nan 0.000 0.650 549 K N -0.555 119.877 120.400 0.054 0.000 2.097 549 K HA 0.444 4.763 4.320 -0.001 0.000 0.205 549 K C 1.879 178.497 176.600 0.030 0.000 1.050 549 K CA 2.479 58.787 56.287 0.035 0.000 0.938 549 K CB -1.084 31.434 32.500 0.030 0.000 0.718 549 K HN 0.994 nan 8.250 nan 0.000 0.442 550 K N -1.020 119.403 120.400 0.037 0.000 3.169 550 K HA 0.851 5.171 4.320 -0.001 0.000 0.251 550 K C 0.574 177.199 176.600 0.042 0.000 0.992 550 K CA 0.842 57.148 56.287 0.032 0.000 1.643 550 K CB -0.311 32.208 32.500 0.033 0.000 2.979 550 K HN 1.356 nan 8.250 nan 0.000 0.905 551 R N -1.337 119.194 120.500 0.052 0.000 3.466 551 R HA 0.592 4.932 4.340 -0.001 0.000 0.262 551 R C -1.004 175.346 176.300 0.084 0.000 0.997 551 R CA 0.027 56.172 56.100 0.075 0.000 0.978 551 R CB 0.024 30.373 30.300 0.082 0.000 1.256 551 R HN 1.004 nan 8.270 nan 0.000 0.536 552 T N 0.970 115.571 114.554 0.079 0.000 3.041 552 T HA 0.607 4.956 4.350 -0.001 0.000 0.321 552 T C -1.437 173.279 174.700 0.027 0.000 1.184 552 T CA -0.442 61.689 62.100 0.052 0.000 1.050 552 T CB 1.851 70.727 68.868 0.013 0.000 1.159 552 T HN 0.951 nan 8.240 nan 0.000 0.469 553 V N 2.922 122.833 119.914 -0.004 0.000 2.443 553 V HA 0.483 4.602 4.120 -0.001 0.000 0.293 553 V C -0.079 175.972 176.094 -0.072 0.000 1.021 553 V CA -0.743 61.516 62.300 -0.069 0.000 0.848 553 V CB 1.592 33.291 31.823 -0.206 0.000 0.998 553 V HN 0.873 nan 8.190 nan 0.000 0.424 554 E N 4.900 125.064 120.200 -0.059 0.000 2.175 554 E HA 0.683 5.032 4.350 -0.001 0.000 0.278 554 E C -1.065 175.445 176.600 -0.149 0.000 0.969 554 E CA -0.584 55.755 56.400 -0.101 0.000 0.796 554 E CB 1.605 31.279 29.700 -0.042 0.000 1.104 554 E HN 0.648 nan 8.360 nan 0.000 0.395 555 M N 2.842 122.270 119.600 -0.287 0.000 2.662 555 M HA 0.424 4.903 4.480 -0.001 0.000 0.310 555 M C -1.357 174.625 176.300 -0.529 0.000 1.204 555 M CA -0.626 54.523 55.300 -0.252 0.000 0.891 555 M CB 2.019 34.538 32.600 -0.135 0.000 1.732 555 M HN 0.549 nan 8.290 nan 0.000 0.467 556 H N 1.371 120.515 119.070 0.122 0.000 3.085 556 H HA 0.509 5.064 4.556 -0.001 0.000 0.356 556 H C -1.741 173.739 175.328 0.252 0.000 1.178 556 H CA -0.987 55.181 56.048 0.201 0.000 1.214 556 H CB 1.789 31.698 29.762 0.245 0.000 1.881 556 H HN 0.808 nan 8.280 nan 0.000 0.538 557 N N 0.611 119.523 118.700 0.353 0.000 2.961 557 N HA 0.394 5.133 4.740 -0.001 0.000 0.245 557 N C -1.635 173.948 175.510 0.121 0.000 1.404 557 N CA -0.994 52.119 53.050 0.105 0.000 0.880 557 N CB 2.780 41.241 38.487 -0.043 0.000 1.461 557 N HN 0.424 nan 8.380 nan 0.000 0.510 558 K N 0.802 121.141 120.400 -0.102 0.000 2.553 558 K HA 0.462 4.781 4.320 -0.001 0.000 0.250 558 K C -1.409 175.013 176.600 -0.298 0.000 0.953 558 K CA -0.619 55.565 56.287 -0.173 0.000 0.800 558 K CB 1.521 33.913 32.500 -0.181 0.000 1.243 558 K HN 0.647 nan 8.250 nan 0.000 0.435 559 I N 4.125 124.507 120.570 -0.313 0.000 2.529 559 I HA 0.148 4.317 4.170 -0.001 0.000 0.284 559 I C -0.769 175.117 176.117 -0.385 0.000 1.082 559 I CA -0.274 60.876 61.300 -0.249 0.000 1.406 559 I CB 0.375 38.287 38.000 -0.146 0.000 1.405 559 I HN 0.499 nan 8.210 nan 0.000 0.548 560 Y N 3.661 123.872 120.300 -0.148 0.000 2.326 560 Y HA 0.239 4.788 4.550 -0.002 0.000 0.329 560 Y C 0.361 176.400 175.900 0.232 0.000 0.973 560 Y CA -0.850 57.269 58.100 0.031 0.000 1.162 560 Y CB 1.837 40.325 38.460 0.047 0.000 1.147 560 Y HN 0.531 nan 8.280 nan 0.000 0.456 561 S N 3.606 119.472 115.700 0.277 0.000 2.565 561 S HA 0.633 5.103 4.470 -0.001 0.000 0.276 561 S C -0.440 174.333 174.600 0.288 0.000 1.326 561 S CA -0.609 57.731 58.200 0.233 0.000 1.045 561 S CB 0.689 63.949 63.200 0.101 0.000 0.918 561 S HN 0.530 nan 8.310 nan 0.000 0.505 562 I N 2.816 123.483 120.570 0.161 0.000 2.355 562 I HA 0.339 4.508 4.170 -0.001 0.000 0.288 562 I C -2.401 173.608 176.117 -0.180 0.000 0.999 562 I CA -2.451 58.806 61.300 -0.071 0.000 1.163 562 I CB 1.287 39.252 38.000 -0.059 0.000 1.316 562 I HN 0.379 nan 8.210 nan 0.000 0.454 563 P HA -0.045 nan 4.420 nan 0.000 0.267 563 P C 0.679 177.842 177.300 -0.228 0.000 1.201 563 P CA -0.330 62.658 63.100 -0.187 0.000 0.775 563 P CB 0.726 32.319 31.700 -0.178 0.000 0.854 564 L N 3.603 124.713 121.223 -0.189 0.000 2.079 564 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 564 L C 2.405 179.146 176.870 -0.216 0.000 1.081 564 L CA 2.642 57.353 54.840 -0.216 0.000 0.752 564 L CB -1.668 40.300 42.059 -0.153 0.000 0.896 564 L HN 0.544 nan 8.230 nan 0.000 0.433 565 E N -0.168 119.932 120.200 -0.166 0.000 2.031 565 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 565 E C 2.156 178.663 176.600 -0.156 0.000 0.994 565 E CA 2.094 58.413 56.400 -0.136 0.000 0.800 565 E CB -0.994 28.647 29.700 -0.098 0.000 0.752 565 E HN 0.643 nan 8.360 nan 0.000 0.447 566 I N -0.267 120.185 120.570 -0.196 0.000 2.202 566 I HA -0.199 3.970 4.170 -0.001 0.000 0.242 566 I C 2.925 178.903 176.117 -0.232 0.000 1.091 566 I CA 1.699 62.880 61.300 -0.199 0.000 1.368 566 I CB -0.124 37.694 38.000 -0.302 0.000 1.058 566 I HN 0.359 nan 8.210 nan 0.000 0.410 567 M N 0.124 119.507 119.600 -0.361 0.000 2.195 567 M HA -0.279 4.201 4.480 -0.001 0.000 0.260 567 M C 1.221 177.217 176.300 -0.508 0.000 1.066 567 M CA 1.929 56.873 55.300 -0.595 0.000 1.089 567 M CB 0.027 32.139 32.600 -0.814 0.000 1.377 567 M HN 0.263 nan 8.290 nan 0.000 0.411 568 Q N -0.369 119.231 119.800 -0.333 0.000 2.175 568 Q HA 0.245 4.584 4.340 -0.001 0.000 0.225 568 Q C 0.503 176.432 176.000 -0.118 0.000 0.837 568 Q CA -0.269 55.393 55.803 -0.236 0.000 1.032 568 Q CB 0.977 29.595 28.738 -0.199 0.000 1.137 568 Q HN 0.550 nan 8.270 nan 0.000 0.483 569 G N 0.988 109.732 108.800 -0.094 0.000 2.714 569 G HA2 0.228 4.188 3.960 -0.001 0.000 0.197 569 G HA3 0.228 4.188 3.960 -0.001 0.000 0.197 569 G C 0.170 175.098 174.900 0.046 0.000 1.449 569 G CA -0.138 44.947 45.100 -0.024 0.000 1.065 569 G HN 0.226 nan 8.290 nan 0.000 0.575 570 T N -2.716 111.883 114.554 0.075 0.000 2.899 570 T HA 0.453 4.802 4.350 -0.001 0.000 0.284 570 T C 1.655 176.477 174.700 0.204 0.000 1.004 570 T CA 0.404 62.578 62.100 0.124 0.000 1.043 570 T CB 1.319 70.248 68.868 0.101 0.000 1.013 570 T HN 0.691 nan 8.240 nan 0.000 0.518 571 G N 0.507 109.456 108.800 0.249 0.000 2.450 571 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.220 571 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.220 571 G C 1.079 176.221 174.900 0.403 0.000 1.130 571 G CA 0.571 45.901 45.100 0.384 0.000 0.760 571 G HN 0.779 nan 8.290 nan 0.000 0.557 572 D N 0.634 121.175 120.400 0.235 0.000 2.085 572 D HA -0.036 4.603 4.640 -0.001 0.000 0.199 572 D C 2.465 178.882 176.300 0.195 0.000 0.981 572 D CA 0.869 54.984 54.000 0.193 0.000 0.834 572 D CB -0.324 40.545 40.800 0.115 0.000 0.992 572 D HN 0.415 nan 8.370 nan 0.000 0.457 573 E N 0.381 120.669 120.200 0.146 0.000 2.070 573 E HA -0.199 4.150 4.350 -0.001 0.000 0.197 573 E C 2.112 178.787 176.600 0.124 0.000 1.004 573 E CA 0.603 57.069 56.400 0.111 0.000 0.805 573 E CB -0.148 29.589 29.700 0.061 0.000 0.744 573 E HN 0.089 nan 8.360 nan 0.000 0.451 574 L N 0.304 121.606 121.223 0.130 0.000 1.994 574 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 574 L C 2.025 178.897 176.870 0.004 0.000 1.071 574 L CA 1.785 56.655 54.840 0.049 0.000 0.745 574 L CB -0.604 41.489 42.059 0.057 0.000 0.892 574 L HN 0.014 nan 8.230 nan 0.000 0.431 575 F N -0.154 119.872 119.950 0.126 0.000 2.325 575 F HA -0.117 4.409 4.527 -0.002 0.000 0.299 575 F C 2.301 178.137 175.800 0.059 0.000 1.090 575 F CA 1.172 59.222 58.000 0.083 0.000 1.392 575 F CB -0.554 38.483 39.000 0.062 0.000 1.053 575 F HN 0.179 nan 8.300 nan 0.000 0.521 576 D N -1.008 119.523 120.400 0.218 0.000 2.117 576 D HA -0.200 4.439 4.640 -0.001 0.000 0.198 576 D C 2.034 178.406 176.300 0.119 0.000 0.982 576 D CA 1.331 55.418 54.000 0.144 0.000 0.828 576 D CB -0.405 40.470 40.800 0.125 0.000 0.967 576 D HN 0.315 nan 8.370 nan 0.000 0.464 577 H N 0.560 119.656 119.070 0.044 0.000 2.352 577 H HA -0.023 4.532 4.556 -0.001 0.000 0.299 577 H C 2.144 177.482 175.328 0.016 0.000 1.097 577 H CA 1.348 57.411 56.048 0.025 0.000 1.311 577 H CB -0.268 29.490 29.762 -0.006 0.000 1.377 577 H HN 0.093 nan 8.280 nan 0.000 0.504 578 I N -0.594 119.935 120.570 -0.068 0.000 2.226 578 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 578 I C 2.191 178.300 176.117 -0.014 0.000 1.100 578 I CA 1.107 62.339 61.300 -0.114 0.000 1.374 578 I CB -0.276 37.621 38.000 -0.171 0.000 1.057 578 I HN 0.181 nan 8.210 nan 0.000 0.413 579 V N 0.336 120.280 119.914 0.049 0.000 2.407 579 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 579 V C 2.500 178.685 176.094 0.151 0.000 1.055 579 V CA 2.034 64.435 62.300 0.168 0.000 1.049 579 V CB -0.530 31.392 31.823 0.165 0.000 0.662 579 V HN 0.382 nan 8.190 nan 0.000 0.455 580 S N -0.991 114.725 115.700 0.027 0.000 2.383 580 S HA -0.205 4.264 4.470 -0.001 0.000 0.227 580 S C 2.026 176.558 174.600 -0.113 0.000 1.026 580 S CA 1.671 59.867 58.200 -0.007 0.000 0.981 580 S CB -0.500 62.680 63.200 -0.032 0.000 0.818 580 S HN 0.648 nan 8.310 nan 0.000 0.472 581 C N 1.485 120.626 119.300 -0.265 0.000 2.446 581 C HA 0.093 4.552 4.460 -0.001 0.000 0.277 581 C C 2.454 177.124 174.990 -0.533 0.000 1.275 581 C CA 0.128 58.784 59.018 -0.603 0.000 1.727 581 C CB -1.323 25.997 27.740 -0.701 0.000 2.010 581 C HN 0.560 nan 8.230 nan 0.000 0.486 582 I N 0.693 121.113 120.570 -0.249 0.000 2.226 582 I HA -0.194 3.975 4.170 -0.001 0.000 0.245 582 I C 2.715 178.655 176.117 -0.294 0.000 1.100 582 I CA 1.644 62.832 61.300 -0.188 0.000 1.374 582 I CB -0.691 37.266 38.000 -0.072 0.000 1.057 582 I HN 0.307 nan 8.210 nan 0.000 0.413 583 S N 0.539 116.087 115.700 -0.253 0.000 2.359 583 S HA -0.299 4.171 4.470 -0.001 0.000 0.224 583 S C 1.999 176.523 174.600 -0.127 0.000 1.035 583 S CA 2.086 60.139 58.200 -0.245 0.000 1.018 583 S CB -0.405 62.843 63.200 0.079 0.000 0.876 583 S HN 0.474 nan 8.310 nan 0.000 0.448 584 D N -0.778 119.596 120.400 -0.044 0.000 2.117 584 D HA -0.128 4.511 4.640 -0.001 0.000 0.197 584 D C 1.823 178.207 176.300 0.140 0.000 0.987 584 D CA 1.022 55.063 54.000 0.067 0.000 0.829 584 D CB -0.246 40.648 40.800 0.157 0.000 0.961 584 D HN 0.478 nan 8.370 nan 0.000 0.460 585 F N 1.394 121.315 119.950 -0.047 0.000 2.134 585 F HA -0.084 4.443 4.527 -0.001 0.000 0.299 585 F C 2.317 178.137 175.800 0.034 0.000 1.097 585 F CA 0.876 58.910 58.000 0.056 0.000 1.264 585 F CB -0.445 38.538 39.000 -0.028 0.000 1.001 585 F HN -0.079 nan 8.300 nan 0.000 0.479 586 L N -0.334 120.809 121.223 -0.134 0.000 2.012 586 L HA -0.262 4.077 4.340 -0.001 0.000 0.210 586 L C 2.325 179.075 176.870 -0.200 0.000 1.073 586 L CA 1.602 56.307 54.840 -0.224 0.000 0.748 586 L CB -0.884 41.015 42.059 -0.266 0.000 0.891 586 L HN 0.066 nan 8.230 nan 0.000 0.431 587 D N -0.649 119.680 120.400 -0.118 0.000 2.103 587 D HA -0.273 4.367 4.640 -0.001 0.000 0.190 587 D C 1.955 178.210 176.300 -0.074 0.000 0.997 587 D CA 1.560 55.520 54.000 -0.066 0.000 0.833 587 D CB -0.359 40.440 40.800 -0.002 0.000 0.961 587 D HN 0.258 nan 8.370 nan 0.000 0.447 588 Y N 0.575 120.764 120.300 -0.186 0.000 2.181 588 Y HA -0.238 4.311 4.550 -0.001 0.000 0.284 588 Y C 2.178 177.881 175.900 -0.328 0.000 1.179 588 Y CA 1.514 59.489 58.100 -0.208 0.000 1.179 588 Y CB -0.088 38.285 38.460 -0.145 0.000 0.973 588 Y HN -0.052 nan 8.280 nan 0.000 0.519 589 M N -1.456 117.869 119.600 -0.458 0.000 2.435 589 M HA 0.195 4.674 4.480 -0.001 0.000 0.265 589 M C 1.837 177.930 176.300 -0.345 0.000 1.104 589 M CA 1.233 56.218 55.300 -0.524 0.000 1.140 589 M CB -0.922 31.302 32.600 -0.627 0.000 1.372 589 M HN 0.451 nan 8.290 nan 0.000 0.456 590 G N 1.774 110.422 108.800 -0.253 0.000 2.132 590 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.234 590 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.234 590 G C 0.561 175.376 174.900 -0.141 0.000 0.989 590 G CA 0.433 45.428 45.100 -0.175 0.000 0.676 590 G HN 0.592 nan 8.290 nan 0.000 0.522 591 I N -1.913 118.564 120.570 -0.155 0.000 3.889 591 I HA 0.512 4.681 4.170 -0.001 0.000 0.332 591 I C 0.663 176.724 176.117 -0.093 0.000 1.493 591 I CA -0.576 60.657 61.300 -0.111 0.000 1.158 591 I CB 0.321 38.257 38.000 -0.106 0.000 1.117 591 I HN 0.007 nan 8.210 nan 0.000 0.411 592 K N 2.771 123.113 120.400 -0.096 0.000 2.294 592 K HA 0.527 4.846 4.320 -0.001 0.000 0.288 592 K C 0.382 176.966 176.600 -0.027 0.000 1.072 592 K CA 0.762 57.005 56.287 -0.073 0.000 0.960 592 K CB 0.158 32.617 32.500 -0.068 0.000 1.043 592 K HN 0.542 nan 8.250 nan 0.000 0.455 593 G N 4.112 112.911 108.800 -0.000 0.000 2.684 593 G HA2 0.011 3.970 3.960 -0.001 0.000 0.107 593 G HA3 0.011 3.970 3.960 -0.001 0.000 0.107 593 G C -2.151 172.768 174.900 0.031 0.000 1.201 593 G CA -0.408 44.702 45.100 0.017 0.000 1.113 593 G HN 0.617 nan 8.290 nan 0.000 0.356 594 P HA 0.226 nan 4.420 nan 0.000 0.266 594 P C -0.462 176.859 177.300 0.035 0.000 1.193 594 P CA -0.094 63.015 63.100 0.015 0.000 0.770 594 P CB 0.700 32.397 31.700 -0.005 0.000 0.836 595 R N 2.754 123.276 120.500 0.037 0.000 2.370 595 R HA 0.273 4.612 4.340 -0.001 0.000 0.309 595 R C -0.066 176.259 176.300 0.041 0.000 1.059 595 R CA 0.017 56.150 56.100 0.053 0.000 0.981 595 R CB 0.033 30.356 30.300 0.039 0.000 0.972 595 R HN 0.508 nan 8.270 nan 0.000 0.437 596 M N 5.881 125.518 119.600 0.061 0.000 2.508 596 M HA 0.389 4.869 4.480 -0.001 0.000 0.327 596 M C -2.212 174.134 176.300 0.077 0.000 1.160 596 M CA -2.259 53.068 55.300 0.045 0.000 0.980 596 M CB 2.393 35.017 32.600 0.041 0.000 1.693 596 M HN 0.367 nan 8.290 nan 0.000 0.452 597 P HA 0.277 nan 4.420 nan 0.000 0.280 597 P C -1.347 176.090 177.300 0.227 0.000 1.300 597 P CA -0.239 62.958 63.100 0.162 0.000 0.785 597 P CB 0.305 32.129 31.700 0.207 0.000 0.874 598 L N 2.970 124.305 121.223 0.186 0.000 2.331 598 L HA 0.869 5.208 4.340 -0.001 0.000 0.275 598 L C -0.030 176.953 176.870 0.187 0.000 1.022 598 L CA -0.543 54.407 54.840 0.184 0.000 0.812 598 L CB 1.568 43.707 42.059 0.133 0.000 1.257 598 L HN 0.430 nan 8.230 nan 0.000 0.435 599 G N 3.267 112.182 108.800 0.192 0.000 2.588 599 G HA2 0.332 4.291 3.960 -0.001 0.000 0.312 599 G HA3 0.332 4.291 3.960 -0.001 0.000 0.312 599 G C -1.209 173.859 174.900 0.279 0.000 1.257 599 G CA -0.321 44.889 45.100 0.184 0.000 0.994 599 G HN 0.414 nan 8.290 nan 0.000 0.498 600 F N 3.394 123.412 119.950 0.114 0.000 2.438 600 F HA 0.386 4.913 4.527 -0.001 0.000 0.360 600 F C 0.509 176.409 175.800 0.166 0.000 1.118 600 F CA -0.833 57.256 58.000 0.148 0.000 1.164 600 F CB 0.957 40.039 39.000 0.136 0.000 1.131 600 F HN 0.193 nan 8.300 nan 0.000 0.527 601 T N 8.312 123.045 114.554 0.298 0.000 2.891 601 T HA 0.164 4.514 4.350 -0.001 0.000 0.315 601 T C -0.697 173.999 174.700 -0.006 0.000 1.054 601 T CA -0.081 62.075 62.100 0.094 0.000 0.958 601 T CB -0.571 68.353 68.868 0.094 0.000 1.008 601 T HN 0.342 nan 8.240 nan 0.000 0.521 602 F N 3.385 123.100 119.950 -0.392 0.000 2.308 602 F HA 0.367 4.894 4.527 -0.001 0.000 0.370 602 F C 0.404 176.085 175.800 -0.198 0.000 1.100 602 F CA -1.405 56.341 58.000 -0.423 0.000 1.108 602 F CB 0.785 39.367 39.000 -0.698 0.000 1.293 602 F HN 0.291 nan 8.300 nan 0.000 0.478 603 S N 7.135 122.527 115.700 -0.514 0.000 4.175 603 S HA 0.340 4.809 4.470 -0.001 0.000 0.193 603 S C -0.825 172.981 174.600 -1.324 0.000 1.373 603 S CA 0.107 57.869 58.200 -0.729 0.000 0.908 603 S CB -1.028 61.783 63.200 -0.647 0.000 1.547 603 S HN 0.441 nan 8.310 nan 0.000 0.440 604 F N 0.318 119.922 119.950 -0.576 0.000 2.686 604 F HA 0.425 4.951 4.527 -0.001 0.000 0.311 604 F C -2.792 172.891 175.800 -0.195 0.000 1.128 604 F CA -2.589 55.139 58.000 -0.454 0.000 0.946 604 F CB 0.903 39.420 39.000 -0.804 0.000 1.336 604 F HN -0.066 nan 8.300 nan 0.000 0.457 605 P HA 0.247 nan 4.420 nan 0.000 0.270 605 P C -1.154 176.225 177.300 0.132 0.000 1.242 605 P CA 0.053 63.214 63.100 0.101 0.000 0.768 605 P CB 0.314 32.082 31.700 0.113 0.000 0.820 606 C N 3.347 122.725 119.300 0.131 0.000 2.547 606 C HA 0.343 4.802 4.460 -0.001 0.000 0.313 606 C C -0.211 174.864 174.990 0.142 0.000 1.191 606 C CA -0.507 58.608 59.018 0.162 0.000 1.474 606 C CB 1.133 28.999 27.740 0.210 0.000 2.081 606 C HN 0.588 nan 8.230 nan 0.000 0.476 607 H N 3.381 122.492 119.070 0.068 0.000 2.652 607 H HA 0.348 4.903 4.556 -0.001 0.000 0.298 607 H C -0.526 174.851 175.328 0.081 0.000 1.076 607 H CA 0.559 56.647 56.048 0.067 0.000 1.360 607 H CB 0.685 30.476 29.762 0.048 0.000 1.421 607 H HN 0.705 nan 8.280 nan 0.000 0.464 608 Q N 2.271 122.065 119.800 -0.010 0.000 2.351 608 Q HA 0.261 4.600 4.340 -0.001 0.000 0.273 608 Q C 0.397 176.475 176.000 0.131 0.000 1.077 608 Q CA -0.821 55.049 55.803 0.112 0.000 0.843 608 Q CB 2.185 31.032 28.738 0.182 0.000 1.367 608 Q HN 0.759 nan 8.270 nan 0.000 0.449 609 T N -3.164 111.416 114.554 0.044 0.000 3.087 609 T HA 0.249 4.598 4.350 -0.001 0.000 0.283 609 T C -0.057 174.206 174.700 -0.728 0.000 0.956 609 T CA -0.181 61.867 62.100 -0.087 0.000 0.894 609 T CB 0.231 69.095 68.868 -0.006 0.000 1.160 609 T HN 0.493 nan 8.240 nan 0.000 0.532 610 N N -0.582 117.689 118.700 -0.715 0.000 3.322 610 N HA 0.324 5.063 4.740 -0.001 0.000 0.233 610 N C 0.216 175.564 175.510 -0.270 0.000 1.399 610 N CA -0.709 51.838 53.050 -0.838 0.000 0.894 610 N CB 0.329 38.535 38.487 -0.468 0.000 1.440 610 N HN -0.029 nan 8.380 nan 0.000 0.503 611 L N 0.482 121.629 121.223 -0.127 0.000 1.990 611 L HA -0.217 4.122 4.340 -0.001 0.000 0.213 611 L C 0.935 177.823 176.870 0.030 0.000 1.072 611 L CA 2.502 57.361 54.840 0.032 0.000 0.755 611 L CB -0.571 41.516 42.059 0.046 0.000 0.889 611 L HN 0.750 nan 8.230 nan 0.000 0.432 612 D N -1.333 119.065 120.400 -0.003 0.000 2.392 612 D HA -0.072 4.568 4.640 -0.001 0.000 0.228 612 D C 0.676 176.989 176.300 0.022 0.000 1.003 612 D CA 0.344 54.356 54.000 0.020 0.000 0.917 612 D CB -0.465 40.339 40.800 0.007 0.000 0.890 612 D HN 0.411 nan 8.370 nan 0.000 0.532 613 C N -1.800 117.506 119.300 0.009 0.000 2.719 613 C HA 0.960 5.419 4.460 -0.001 0.000 0.327 613 C C 0.125 175.148 174.990 0.056 0.000 1.238 613 C CA -0.354 58.678 59.018 0.022 0.000 1.727 613 C CB 1.415 29.155 27.740 0.001 0.000 2.256 613 C HN 0.283 nan 8.230 nan 0.000 0.489 614 G N 1.847 110.683 108.800 0.059 0.000 2.167 614 G HA2 0.447 4.406 3.960 -0.001 0.000 0.300 614 G HA3 0.447 4.406 3.960 -0.001 0.000 0.300 614 G C -1.160 173.778 174.900 0.062 0.000 1.842 614 G CA -0.426 44.723 45.100 0.083 0.000 1.035 614 G HN 0.913 nan 8.290 nan 0.000 0.489 615 I N 2.571 123.199 120.570 0.096 0.000 2.396 615 I HA 0.150 4.319 4.170 -0.001 0.000 0.289 615 I C 0.499 176.656 176.117 0.067 0.000 1.056 615 I CA -0.727 60.610 61.300 0.061 0.000 1.365 615 I CB 1.532 39.567 38.000 0.060 0.000 1.407 615 I HN 0.371 nan 8.210 nan 0.000 0.509 616 L N 8.569 129.792 121.223 -0.001 0.000 2.597 616 L HA 0.072 4.411 4.340 -0.001 0.000 0.271 616 L C 0.801 177.640 176.870 -0.052 0.000 1.157 616 L CA 0.825 55.653 54.840 -0.019 0.000 0.928 616 L CB -0.029 41.886 42.059 -0.239 0.000 1.216 616 L HN 0.545 nan 8.230 nan 0.000 0.481 617 I N 2.454 123.039 120.570 0.025 0.000 2.090 617 I HA -0.149 4.020 4.170 -0.001 0.000 0.236 617 I C 0.677 176.788 176.117 -0.010 0.000 1.064 617 I CA 1.423 62.742 61.300 0.032 0.000 1.324 617 I CB -0.279 37.771 38.000 0.084 0.000 1.044 617 I HN 0.856 nan 8.210 nan 0.000 0.399 618 S N -2.232 113.471 115.700 0.005 0.000 2.542 618 S HA 0.289 4.759 4.470 -0.001 0.000 0.276 618 S C -1.333 173.346 174.600 0.132 0.000 1.148 618 S CA -1.000 57.217 58.200 0.030 0.000 0.886 618 S CB 0.250 63.504 63.200 0.090 0.000 1.109 618 S HN 0.229 nan 8.310 nan 0.000 0.458 619 W N 2.102 123.436 121.300 0.057 0.000 2.158 619 W HA 0.461 5.120 4.660 -0.002 0.000 0.339 619 W C 1.104 177.724 176.519 0.167 0.000 1.294 619 W CA 0.344 57.711 57.345 0.037 0.000 1.231 619 W CB 1.200 30.662 29.460 0.004 0.000 1.143 619 W HN 0.920 nan 8.180 nan 0.000 0.571 620 T N -0.257 114.667 114.554 0.617 0.000 2.887 620 T HA 0.618 4.967 4.350 -0.001 0.000 0.292 620 T C -0.192 174.773 174.700 0.443 0.000 1.087 620 T CA -0.903 61.460 62.100 0.437 0.000 1.009 620 T CB 2.269 71.344 68.868 0.344 0.000 1.203 620 T HN 0.628 nan 8.240 nan 0.000 0.518 621 K N -0.527 120.086 120.400 0.354 0.000 1.860 621 K HA -0.206 4.113 4.320 -0.001 0.000 0.320 621 K C 1.376 178.119 176.600 0.238 0.000 1.716 621 K CA 1.082 57.547 56.287 0.297 0.000 0.609 621 K CB -1.786 30.857 32.500 0.239 0.000 0.915 621 K HN 0.955 nan 8.250 nan 0.000 0.766 622 G N 0.253 109.178 108.800 0.208 0.000 2.813 622 G HA2 0.130 4.089 3.960 -0.001 0.000 0.209 622 G HA3 0.130 4.089 3.960 -0.001 0.000 0.209 622 G C -0.003 174.851 174.900 -0.078 0.000 1.150 622 G CA 0.093 45.231 45.100 0.063 0.000 0.785 622 G HN 0.179 nan 8.290 nan 0.000 0.535 623 F N -0.088 119.691 119.950 -0.285 0.000 2.427 623 F HA 0.590 5.116 4.527 -0.001 0.000 0.352 623 F C 0.808 176.005 175.800 -1.006 0.000 1.100 623 F CA -0.504 57.022 58.000 -0.790 0.000 1.191 623 F CB 1.977 40.131 39.000 -1.409 0.000 1.128 623 F HN -0.178 nan 8.300 nan 0.000 0.533 624 K N 2.220 122.163 120.400 -0.761 0.000 3.307 624 K HA 0.445 4.764 4.320 -0.001 0.000 0.188 624 K C -0.838 175.650 176.600 -0.188 0.000 1.063 624 K CA -0.074 55.950 56.287 -0.438 0.000 0.949 624 K CB 0.546 32.961 32.500 -0.141 0.000 0.707 624 K HN 0.546 nan 8.250 nan 0.000 0.441 625 A N 1.093 123.794 122.820 -0.198 0.000 2.454 625 A HA 0.349 4.668 4.320 -0.001 0.000 0.260 625 A C 0.248 178.072 177.584 0.401 0.000 1.106 625 A CA 0.035 52.173 52.037 0.168 0.000 0.780 625 A CB -0.272 18.893 19.000 0.274 0.000 1.044 625 A HN 0.441 nan 8.150 nan 0.000 0.498 626 T N 1.977 116.663 114.554 0.220 0.000 2.906 626 T HA 0.173 4.523 4.350 -0.001 0.000 0.320 626 T C 0.056 174.853 174.700 0.162 0.000 1.088 626 T CA 0.469 62.674 62.100 0.175 0.000 1.120 626 T CB 0.089 69.021 68.868 0.106 0.000 1.000 626 T HN 0.745 nan 8.240 nan 0.000 0.550 627 D N 0.047 120.490 120.400 0.071 0.000 2.697 627 D HA -0.164 4.475 4.640 -0.001 0.000 0.235 627 D C 0.410 176.627 176.300 -0.138 0.000 1.167 627 D CA 0.390 54.368 54.000 -0.036 0.000 0.656 627 D CB -1.397 39.447 40.800 0.073 0.000 1.025 627 D HN 0.705 nan 8.370 nan 0.000 0.419 628 C N -0.332 118.865 119.300 -0.171 0.000 3.095 628 C HA 0.031 4.490 4.460 -0.001 0.000 0.472 628 C C 1.140 175.833 174.990 -0.495 0.000 1.348 628 C CA -0.196 58.685 59.018 -0.228 0.000 2.206 628 C CB 0.396 28.190 27.740 0.090 0.000 3.088 628 C HN 0.294 nan 8.230 nan 0.000 0.599 629 E N 0.717 120.638 120.200 -0.466 0.000 2.384 629 E HA 0.388 4.737 4.350 -0.001 0.000 0.266 629 E C 1.072 177.465 176.600 -0.346 0.000 1.012 629 E CA 0.949 57.112 56.400 -0.394 0.000 0.901 629 E CB 0.276 29.828 29.700 -0.247 0.000 0.967 629 E HN 0.584 nan 8.360 nan 0.000 0.435 630 G N 2.543 111.224 108.800 -0.199 0.000 2.195 630 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.246 630 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.246 630 G C -0.088 174.875 174.900 0.104 0.000 0.984 630 G CA -0.090 44.972 45.100 -0.064 0.000 0.633 630 G HN 0.576 nan 8.290 nan 0.000 0.525 631 H N 0.415 119.411 119.070 -0.124 0.000 2.567 631 H HA 0.600 5.155 4.556 -0.001 0.000 0.345 631 H C -0.504 174.736 175.328 -0.146 0.000 1.169 631 H CA -1.268 54.698 56.048 -0.138 0.000 1.227 631 H CB 1.414 31.071 29.762 -0.175 0.000 1.607 631 H HN 0.162 nan 8.280 nan 0.000 0.534 632 D N 1.647 122.042 120.400 -0.008 0.000 2.339 632 D HA 0.008 4.647 4.640 -0.001 0.000 0.256 632 D C 1.339 177.569 176.300 -0.116 0.000 1.214 632 D CA -0.271 53.700 54.000 -0.048 0.000 0.877 632 D CB 0.819 41.590 40.800 -0.047 0.000 1.111 632 D HN 0.349 nan 8.370 nan 0.000 0.478 633 V N 3.143 122.969 119.914 -0.145 0.000 2.594 633 V HA -0.131 3.988 4.120 -0.001 0.000 0.253 633 V C 2.079 178.155 176.094 -0.030 0.000 1.069 633 V CA 1.614 63.791 62.300 -0.204 0.000 1.082 633 V CB -1.123 30.447 31.823 -0.422 0.000 0.680 633 V HN 0.516 nan 8.190 nan 0.000 0.469 634 A N 0.320 123.161 122.820 0.034 0.000 1.933 634 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 634 A C 2.561 180.119 177.584 -0.044 0.000 1.175 634 A CA 2.314 54.389 52.037 0.063 0.000 0.628 634 A CB -0.989 18.050 19.000 0.065 0.000 0.814 634 A HN 0.608 nan 8.150 nan 0.000 0.444 635 S N -0.375 115.270 115.700 -0.091 0.000 2.345 635 S HA -0.102 4.368 4.470 -0.001 0.000 0.220 635 S C 1.951 176.436 174.600 -0.193 0.000 1.031 635 S CA 1.424 59.547 58.200 -0.128 0.000 0.996 635 S CB -0.534 62.585 63.200 -0.135 0.000 0.882 635 S HN 0.487 nan 8.310 nan 0.000 0.445 636 L N 1.127 122.158 121.223 -0.320 0.000 2.081 636 L HA -0.142 4.198 4.340 -0.001 0.000 0.212 636 L C 2.510 179.163 176.870 -0.361 0.000 1.080 636 L CA 1.081 55.610 54.840 -0.519 0.000 0.754 636 L CB -0.660 40.683 42.059 -1.193 0.000 0.893 636 L HN 0.368 nan 8.230 nan 0.000 0.433 637 L N -0.174 120.916 121.223 -0.222 0.000 2.131 637 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 637 L C 2.633 179.464 176.870 -0.065 0.000 1.092 637 L CA 1.655 56.469 54.840 -0.043 0.000 0.759 637 L CB -0.530 41.445 42.059 -0.140 0.000 0.903 637 L HN 0.088 nan 8.230 nan 0.000 0.435 638 R N -0.559 119.885 120.500 -0.094 0.000 2.073 638 R HA -0.092 4.247 4.340 -0.001 0.000 0.229 638 R C 1.841 178.084 176.300 -0.096 0.000 1.120 638 R CA 1.323 57.370 56.100 -0.088 0.000 0.967 638 R CB -0.322 29.931 30.300 -0.079 0.000 0.862 638 R HN 0.427 nan 8.270 nan 0.000 0.436 639 D N 0.768 121.108 120.400 -0.101 0.000 2.144 639 D HA -0.132 4.507 4.640 -0.001 0.000 0.199 639 D C 1.749 178.009 176.300 -0.067 0.000 0.984 639 D CA 1.404 55.351 54.000 -0.088 0.000 0.834 639 D CB -0.274 40.468 40.800 -0.095 0.000 0.955 639 D HN 0.219 nan 8.370 nan 0.000 0.465 640 A N 0.729 123.523 122.820 -0.042 0.000 1.933 640 A HA -0.131 4.188 4.320 -0.001 0.000 0.218 640 A C 2.516 180.063 177.584 -0.062 0.000 1.175 640 A CA 1.122 53.159 52.037 0.000 0.000 0.628 640 A CB -0.700 18.354 19.000 0.089 0.000 0.814 640 A HN 0.153 nan 8.150 nan 0.000 0.444 641 V N -0.129 119.709 119.914 -0.127 0.000 2.358 641 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 641 V C 2.546 178.471 176.094 -0.281 0.000 1.047 641 V CA 2.353 64.471 62.300 -0.303 0.000 1.035 641 V CB -0.624 30.986 31.823 -0.355 0.000 0.658 641 V HN 0.418 nan 8.190 nan 0.000 0.452 642 K N 0.526 120.819 120.400 -0.177 0.000 1.969 642 K HA -0.155 4.165 4.320 -0.001 0.000 0.216 642 K C 2.186 178.720 176.600 -0.109 0.000 1.048 642 K CA 1.605 57.811 56.287 -0.135 0.000 0.948 642 K CB -0.672 31.770 32.500 -0.096 0.000 0.726 642 K HN 0.296 nan 8.250 nan 0.000 0.442 643 R N -0.037 120.417 120.500 -0.077 0.000 2.165 643 R HA -0.251 4.088 4.340 -0.001 0.000 0.254 643 R C 2.438 178.710 176.300 -0.046 0.000 1.153 643 R CA 2.158 58.230 56.100 -0.047 0.000 0.971 643 R CB -0.360 29.927 30.300 -0.022 0.000 0.878 643 R HN 0.230 nan 8.270 nan 0.000 0.449 644 R N 0.884 121.341 120.500 -0.072 0.000 2.090 644 R HA -0.102 4.238 4.340 -0.001 0.000 0.228 644 R C 0.546 176.807 176.300 -0.065 0.000 1.110 644 R CA 1.628 57.694 56.100 -0.057 0.000 0.973 644 R CB 0.041 30.305 30.300 -0.060 0.000 0.869 644 R HN 0.233 nan 8.270 nan 0.000 0.440 645 E N 0.395 120.525 120.200 -0.117 0.000 2.320 645 E HA -0.267 4.082 4.350 -0.001 0.000 0.234 645 E C 0.133 176.701 176.600 -0.054 0.000 1.183 645 E CA 1.499 57.845 56.400 -0.090 0.000 0.713 645 E CB -2.613 27.060 29.700 -0.046 0.000 1.226 645 E HN 0.851 nan 8.360 nan 0.000 0.382 646 E N -2.435 117.712 120.200 -0.087 0.000 2.500 646 E HA 0.461 4.810 4.350 -0.001 0.000 0.217 646 E C 0.428 177.173 176.600 0.241 0.000 0.848 646 E CA 0.582 57.042 56.400 0.101 0.000 1.217 646 E CB 0.661 30.518 29.700 0.262 0.000 1.217 646 E HN 0.916 nan 8.360 nan 0.000 0.573 647 F N -1.791 118.159 119.950 0.001 0.000 3.052 647 F HA 0.656 5.182 4.527 -0.001 0.000 0.323 647 F C -1.267 174.533 175.800 -0.001 0.000 1.178 647 F CA -0.874 57.127 58.000 0.001 0.000 0.892 647 F CB 0.627 39.630 39.000 0.005 0.000 1.416 647 F HN -0.244 nan 8.300 nan 0.000 0.488 648 D N 0.365 120.870 120.400 0.175 0.000 2.857 648 D HA 0.771 5.410 4.640 -0.001 0.000 0.227 648 D C -1.769 174.638 176.300 0.180 0.000 1.192 648 D CA -0.563 53.476 54.000 0.065 0.000 0.857 648 D CB 2.307 43.127 40.800 0.033 0.000 1.645 648 D HN 1.137 nan 8.370 nan 0.000 0.482 649 L N -2.926 118.373 121.223 0.126 0.000 2.506 649 L HA 0.804 5.143 4.340 -0.001 0.000 0.257 649 L C -0.251 176.665 176.870 0.077 0.000 0.964 649 L CA -1.421 53.499 54.840 0.134 0.000 0.836 649 L CB 1.332 43.510 42.059 0.199 0.000 1.384 649 L HN 0.519 nan 8.230 nan 0.000 0.410 650 D N 0.998 121.443 120.400 0.076 0.000 2.428 650 D HA 0.551 5.190 4.640 -0.001 0.000 0.221 650 D C 0.065 176.412 176.300 0.077 0.000 1.123 650 D CA -0.523 53.514 54.000 0.062 0.000 0.869 650 D CB 1.226 42.062 40.800 0.060 0.000 1.032 650 D HN 0.631 nan 8.370 nan 0.000 0.506 651 V N 3.774 123.725 119.914 0.061 0.000 2.304 651 V HA -0.049 4.070 4.120 -0.001 0.000 0.239 651 V C 1.953 178.100 176.094 0.088 0.000 1.201 651 V CA -0.062 62.283 62.300 0.075 0.000 1.254 651 V CB -0.251 31.602 31.823 0.050 0.000 1.335 651 V HN 0.674 nan 8.190 nan 0.000 0.491 652 V N 3.097 123.076 119.914 0.109 0.000 2.358 652 V HA 0.005 4.124 4.120 -0.001 0.000 0.246 652 V C 1.176 177.326 176.094 0.093 0.000 1.047 652 V CA 1.872 64.233 62.300 0.102 0.000 1.035 652 V CB -0.304 31.599 31.823 0.134 0.000 0.658 652 V HN 0.877 nan 8.190 nan 0.000 0.452 653 A N -1.206 121.685 122.820 0.118 0.000 2.556 653 A HA 0.726 5.045 4.320 -0.001 0.000 0.294 653 A C -1.364 176.318 177.584 0.164 0.000 1.091 653 A CA -0.366 51.739 52.037 0.113 0.000 0.704 653 A CB 2.190 21.240 19.000 0.085 0.000 1.300 653 A HN -0.034 nan 8.150 nan 0.000 0.406 654 V N 2.186 122.185 119.914 0.142 0.000 2.340 654 V HA 0.496 4.615 4.120 -0.001 0.000 0.277 654 V C -0.134 176.020 176.094 0.099 0.000 1.017 654 V CA -0.404 61.987 62.300 0.151 0.000 0.820 654 V CB 0.871 32.774 31.823 0.134 0.000 1.028 654 V HN 1.164 nan 8.190 nan 0.000 0.436 655 V N 1.984 121.947 119.914 0.081 0.000 2.732 655 V HA 0.667 4.786 4.120 -0.001 0.000 0.310 655 V C -0.054 176.044 176.094 0.007 0.000 1.053 655 V CA -0.687 61.638 62.300 0.040 0.000 0.957 655 V CB 2.018 33.858 31.823 0.029 0.000 1.018 655 V HN 0.711 nan 8.190 nan 0.000 0.452 656 N N 2.197 120.882 118.700 -0.023 0.000 2.508 656 N HA 0.115 4.854 4.740 -0.001 0.000 0.285 656 N C 0.589 176.048 175.510 -0.086 0.000 1.144 656 N CA 0.232 53.239 53.050 -0.071 0.000 0.978 656 N CB 1.892 40.330 38.487 -0.082 0.000 1.180 656 N HN 0.976 nan 8.380 nan 0.000 0.484 657 D N 0.968 121.295 120.400 -0.123 0.000 2.218 657 D HA -0.190 4.449 4.640 -0.001 0.000 0.204 657 D C 1.568 177.803 176.300 -0.108 0.000 0.976 657 D CA 1.847 55.781 54.000 -0.110 0.000 0.853 657 D CB -0.735 39.984 40.800 -0.134 0.000 0.939 657 D HN 0.695 nan 8.370 nan 0.000 0.481 658 T N -1.087 113.390 114.554 -0.127 0.000 2.737 658 T HA -0.104 4.245 4.350 -0.001 0.000 0.265 658 T C 2.255 176.889 174.700 -0.110 0.000 1.038 658 T CA 1.381 63.400 62.100 -0.135 0.000 1.144 658 T CB -0.960 67.806 68.868 -0.170 0.000 0.866 658 T HN 0.067 nan 8.240 nan 0.000 0.434 659 V N 2.168 122.023 119.914 -0.100 0.000 2.343 659 V HA -0.021 4.098 4.120 -0.001 0.000 0.247 659 V C 3.118 179.173 176.094 -0.064 0.000 1.051 659 V CA 1.925 64.176 62.300 -0.082 0.000 1.036 659 V CB -1.566 30.214 31.823 -0.072 0.000 0.654 659 V HN 0.703 nan 8.190 nan 0.000 0.451 660 G N -0.617 108.148 108.800 -0.059 0.000 2.418 660 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 660 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 660 G C 1.703 176.572 174.900 -0.052 0.000 1.158 660 G CA 1.480 46.552 45.100 -0.048 0.000 0.771 660 G HN 0.461 nan 8.290 nan 0.000 0.545 661 T N 0.956 115.473 114.554 -0.062 0.000 2.746 661 T HA -0.126 4.224 4.350 -0.001 0.000 0.267 661 T C 2.253 176.920 174.700 -0.055 0.000 1.039 661 T CA 1.308 63.371 62.100 -0.061 0.000 1.142 661 T CB -0.217 68.605 68.868 -0.076 0.000 0.866 661 T HN 0.223 nan 8.240 nan 0.000 0.444 662 M N 0.280 119.842 119.600 -0.064 0.000 2.108 662 M HA -0.122 4.357 4.480 -0.001 0.000 0.261 662 M C 1.993 178.273 176.300 -0.032 0.000 1.066 662 M CA 1.661 56.926 55.300 -0.057 0.000 1.107 662 M CB -0.223 32.336 32.600 -0.068 0.000 1.356 662 M HN 0.178 nan 8.290 nan 0.000 0.406 663 M N -0.608 118.976 119.600 -0.027 0.000 2.156 663 M HA -0.109 4.370 4.480 -0.001 0.000 0.264 663 M C 2.063 178.379 176.300 0.025 0.000 1.067 663 M CA 1.646 56.945 55.300 -0.002 0.000 1.131 663 M CB -1.595 30.995 32.600 -0.016 0.000 1.368 663 M HN 0.275 nan 8.290 nan 0.000 0.416 664 T N 0.424 114.972 114.554 -0.010 0.000 2.737 664 T HA -0.173 4.176 4.350 -0.001 0.000 0.269 664 T C 2.021 176.743 174.700 0.037 0.000 1.040 664 T CA 1.534 63.621 62.100 -0.022 0.000 1.142 664 T CB -0.413 68.428 68.868 -0.045 0.000 0.861 664 T HN 0.408 nan 8.240 nan 0.000 0.456 665 C N 1.222 120.541 119.300 0.031 0.000 2.522 665 C HA 0.360 4.819 4.460 -0.001 0.000 0.280 665 C C 3.245 178.273 174.990 0.063 0.000 1.303 665 C CA -0.071 58.973 59.018 0.043 0.000 1.709 665 C CB -1.317 26.427 27.740 0.007 0.000 2.071 665 C HN 0.641 nan 8.230 nan 0.000 0.492 666 A N -0.195 122.652 122.820 0.044 0.000 1.986 666 A HA -0.272 4.047 4.320 -0.001 0.000 0.220 666 A C 1.927 179.548 177.584 0.062 0.000 1.171 666 A CA 1.946 54.002 52.037 0.033 0.000 0.640 666 A CB -1.039 17.969 19.000 0.013 0.000 0.811 666 A HN 0.725 nan 8.150 nan 0.000 0.451 667 Y N 1.570 121.856 120.300 -0.025 0.000 2.114 667 Y HA -0.324 4.226 4.550 -0.002 0.000 0.282 667 Y C 2.371 178.263 175.900 -0.012 0.000 1.165 667 Y CA 2.615 60.704 58.100 -0.019 0.000 1.148 667 Y CB -0.252 38.196 38.460 -0.020 0.000 0.972 667 Y HN 0.636 nan 8.280 nan 0.000 0.504 668 E N -0.519 119.778 120.200 0.161 0.000 2.122 668 E HA -0.079 4.271 4.350 -0.001 0.000 0.190 668 E C 0.418 177.017 176.600 -0.002 0.000 0.977 668 E CA 0.876 57.314 56.400 0.064 0.000 0.820 668 E CB -0.051 29.737 29.700 0.147 0.000 0.770 668 E HN 0.261 nan 8.360 nan 0.000 0.462 669 E N 1.796 122.004 120.200 0.013 0.000 2.255 669 E HA 0.152 4.501 4.350 -0.001 0.000 0.245 669 E C -1.956 174.635 176.600 -0.016 0.000 0.909 669 E CA -3.113 53.284 56.400 -0.005 0.000 0.747 669 E CB 1.331 31.034 29.700 0.005 0.000 1.215 669 E HN -0.127 nan 8.360 nan 0.000 0.424 670 P HA -0.219 nan 4.420 nan 0.000 0.218 670 P C 0.692 177.977 177.300 -0.025 0.000 1.146 670 P CA 1.419 64.500 63.100 -0.031 0.000 0.820 670 P CB 0.047 31.726 31.700 -0.034 0.000 0.778 671 T N -3.705 110.835 114.554 -0.023 0.000 3.160 671 T HA 0.008 4.358 4.350 -0.001 0.000 0.257 671 T C 1.073 175.750 174.700 -0.037 0.000 1.147 671 T CA -0.175 61.909 62.100 -0.026 0.000 1.064 671 T CB -1.357 67.498 68.868 -0.021 0.000 0.949 671 T HN 0.124 nan 8.240 nan 0.000 0.526 672 C N 2.755 122.033 119.300 -0.037 0.000 2.442 672 C HA 0.378 4.837 4.460 -0.001 0.000 0.362 672 C C 0.950 175.912 174.990 -0.046 0.000 1.242 672 C CA -0.397 58.591 59.018 -0.051 0.000 1.741 672 C CB -1.038 26.678 27.740 -0.040 0.000 2.378 672 C HN 0.611 nan 8.230 nan 0.000 0.549 673 E N 4.062 124.231 120.200 -0.051 0.000 2.715 673 E HA 0.312 4.661 4.350 -0.001 0.000 0.224 673 E C -0.550 176.036 176.600 -0.023 0.000 0.962 673 E CA 0.081 56.460 56.400 -0.034 0.000 1.145 673 E CB 0.615 30.305 29.700 -0.016 0.000 1.083 673 E HN 0.723 nan 8.360 nan 0.000 0.506 674 I N 0.303 120.839 120.570 -0.055 0.000 2.608 674 I HA 0.509 4.678 4.170 -0.001 0.000 0.295 674 I C -0.024 176.031 176.117 -0.104 0.000 1.049 674 I CA -1.135 60.130 61.300 -0.058 0.000 1.063 674 I CB 2.280 40.221 38.000 -0.097 0.000 1.248 674 I HN -0.107 nan 8.210 nan 0.000 0.424 675 G N 5.099 113.832 108.800 -0.111 0.000 2.609 675 G HA2 0.662 4.621 3.960 -0.001 0.000 0.308 675 G HA3 0.662 4.621 3.960 -0.001 0.000 0.308 675 G C -1.828 172.973 174.900 -0.166 0.000 1.369 675 G CA -0.382 44.641 45.100 -0.128 0.000 0.958 675 G HN 0.385 nan 8.290 nan 0.000 0.499 676 L N 3.049 124.182 121.223 -0.149 0.000 2.365 676 L HA 0.762 5.101 4.340 -0.001 0.000 0.273 676 L C -1.108 175.684 176.870 -0.131 0.000 1.000 676 L CA -1.000 53.755 54.840 -0.143 0.000 0.819 676 L CB 1.699 43.747 42.059 -0.019 0.000 1.284 676 L HN 0.334 nan 8.230 nan 0.000 0.418 677 I N 5.974 126.475 120.570 -0.115 0.000 2.447 677 I HA 0.416 4.585 4.170 -0.001 0.000 0.287 677 I C -0.999 175.108 176.117 -0.017 0.000 1.023 677 I CA -0.475 60.772 61.300 -0.089 0.000 1.083 677 I CB 1.998 39.935 38.000 -0.105 0.000 1.245 677 I HN 0.337 nan 8.210 nan 0.000 0.434 678 V N 6.015 125.908 119.914 -0.035 0.000 2.443 678 V HA 0.735 4.854 4.120 -0.001 0.000 0.272 678 V C 0.386 176.434 176.094 -0.076 0.000 1.002 678 V CA -0.236 62.044 62.300 -0.034 0.000 0.840 678 V CB 0.950 32.707 31.823 -0.109 0.000 1.042 678 V HN 0.971 nan 8.190 nan 0.000 0.446 679 G N 2.040 110.811 108.800 -0.049 0.000 3.418 679 G HA2 0.272 4.231 3.960 -0.001 0.000 0.179 679 G HA3 0.272 4.231 3.960 -0.001 0.000 0.179 679 G C 0.854 175.729 174.900 -0.042 0.000 1.212 679 G CA 0.718 45.786 45.100 -0.053 0.000 0.935 679 G HN 0.288 nan 8.290 nan 0.000 0.716 680 T N 0.561 115.089 114.554 -0.044 0.000 2.699 680 T HA 0.157 4.506 4.350 -0.001 0.000 0.268 680 T C 1.121 175.811 174.700 -0.015 0.000 1.036 680 T CA 1.739 63.807 62.100 -0.054 0.000 1.147 680 T CB -0.439 68.404 68.868 -0.042 0.000 0.862 680 T HN 0.797 nan 8.240 nan 0.000 0.446 681 G N -0.892 107.922 108.800 0.024 0.000 2.818 681 G HA2 0.570 4.529 3.960 -0.001 0.000 0.286 681 G HA3 0.570 4.529 3.960 -0.001 0.000 0.286 681 G C -1.405 173.561 174.900 0.111 0.000 1.364 681 G CA -0.432 44.738 45.100 0.115 0.000 0.938 681 G HN 0.104 nan 8.290 nan 0.000 0.490 682 T N -0.919 113.752 114.554 0.195 0.000 2.900 682 T HA 0.670 5.019 4.350 -0.001 0.000 0.295 682 T C -0.912 173.969 174.700 0.301 0.000 1.044 682 T CA -0.572 61.690 62.100 0.270 0.000 0.995 682 T CB 1.725 70.838 68.868 0.409 0.000 1.072 682 T HN 0.825 nan 8.240 nan 0.000 0.473 683 N N 0.867 119.592 118.700 0.043 0.000 3.348 683 N HA 0.708 5.448 4.740 -0.001 0.000 0.233 683 N C -2.014 173.019 175.510 -0.794 0.000 1.440 683 N CA -0.120 52.661 53.050 -0.449 0.000 0.887 683 N CB 1.585 39.951 38.487 -0.202 0.000 1.410 683 N HN 0.961 nan 8.380 nan 0.000 0.502 684 A N -0.278 121.953 122.820 -0.980 0.000 2.602 684 A HA 0.811 5.130 4.320 -0.001 0.000 0.290 684 A C -1.149 176.199 177.584 -0.393 0.000 1.114 684 A CA -0.320 51.276 52.037 -0.734 0.000 0.683 684 A CB 0.189 18.522 19.000 -1.112 0.000 1.281 684 A HN 1.427 nan 8.150 nan 0.000 0.416 685 C N -1.064 118.109 119.300 -0.211 0.000 3.173 685 C HA 1.008 5.467 4.460 -0.001 0.000 0.310 685 C C -1.364 173.652 174.990 0.043 0.000 1.306 685 C CA -0.795 58.173 59.018 -0.083 0.000 1.426 685 C CB 0.628 28.287 27.740 -0.136 0.000 1.800 685 C HN 1.978 nan 8.230 nan 0.000 0.470 686 Y N 0.323 120.538 120.300 -0.141 0.000 2.609 686 Y HA 0.757 5.308 4.550 0.000 0.000 0.336 686 Y C -0.783 175.056 175.900 -0.102 0.000 1.129 686 Y CA -2.009 56.020 58.100 -0.118 0.000 1.040 686 Y CB 0.805 39.201 38.460 -0.106 0.000 1.310 686 Y HN 0.602 nan 8.280 nan 0.000 0.460 687 M N 3.058 122.580 119.600 -0.130 0.000 2.685 687 M HA 0.181 4.660 4.480 -0.001 0.000 0.316 687 M C -0.293 175.883 176.300 -0.207 0.000 1.523 687 M CA 0.197 55.387 55.300 -0.183 0.000 1.472 687 M CB -0.939 31.617 32.600 -0.073 0.000 1.525 687 M HN 0.826 nan 8.290 nan 0.000 0.471 688 E N 2.635 122.570 120.200 -0.441 0.000 2.313 688 E HA 0.194 4.544 4.350 -0.001 0.000 0.272 688 E C -0.456 176.054 176.600 -0.150 0.000 1.038 688 E CA -0.249 55.970 56.400 -0.301 0.000 0.863 688 E CB 0.872 30.286 29.700 -0.476 0.000 1.060 688 E HN 0.316 nan 8.360 nan 0.000 0.402 689 E N 4.272 124.433 120.200 -0.065 0.000 2.360 689 E HA -0.013 4.336 4.350 -0.001 0.000 0.269 689 E C 0.895 177.454 176.600 -0.069 0.000 1.022 689 E CA -0.093 56.276 56.400 -0.053 0.000 0.887 689 E CB 0.586 30.273 29.700 -0.021 0.000 0.990 689 E HN 0.697 nan 8.360 nan 0.000 0.426 690 M N 2.700 122.261 119.600 -0.065 0.000 2.108 690 M HA -0.227 4.253 4.480 -0.001 0.000 0.261 690 M C 2.259 178.530 176.300 -0.048 0.000 1.066 690 M CA 2.284 57.544 55.300 -0.066 0.000 1.107 690 M CB -1.058 31.511 32.600 -0.051 0.000 1.356 690 M HN 0.607 nan 8.290 nan 0.000 0.406 691 K N 0.568 120.949 120.400 -0.033 0.000 2.113 691 K HA -0.175 4.144 4.320 -0.001 0.000 0.208 691 K C 1.475 178.061 176.600 -0.023 0.000 1.047 691 K CA 1.902 58.176 56.287 -0.022 0.000 0.928 691 K CB -1.303 31.188 32.500 -0.015 0.000 0.716 691 K HN 0.543 nan 8.250 nan 0.000 0.446 692 N N 0.182 118.866 118.700 -0.027 0.000 2.376 692 N HA -0.018 4.721 4.740 -0.001 0.000 0.177 692 N C 0.237 175.725 175.510 -0.036 0.000 1.024 692 N CA 0.848 53.884 53.050 -0.023 0.000 0.893 692 N CB 0.194 38.675 38.487 -0.010 0.000 0.980 692 N HN 0.250 nan 8.380 nan 0.000 0.439 693 V N 2.715 122.593 119.914 -0.060 0.000 2.302 693 V HA 0.013 4.132 4.120 -0.001 0.000 0.244 693 V C 1.511 177.571 176.094 -0.057 0.000 1.160 693 V CA 0.201 62.453 62.300 -0.081 0.000 1.127 693 V CB 0.072 31.817 31.823 -0.131 0.000 1.253 693 V HN 0.217 nan 8.190 nan 0.000 0.496 694 E N 3.167 123.345 120.200 -0.037 0.000 2.358 694 E HA -0.098 4.251 4.350 -0.001 0.000 0.195 694 E C 1.694 178.285 176.600 -0.014 0.000 1.010 694 E CA 0.469 56.857 56.400 -0.020 0.000 0.856 694 E CB 0.205 29.899 29.700 -0.010 0.000 0.795 694 E HN 0.596 nan 8.360 nan 0.000 0.504 695 M N 0.224 119.808 119.600 -0.027 0.000 2.492 695 M HA 0.066 4.545 4.480 -0.001 0.000 0.262 695 M C 0.461 176.760 176.300 -0.001 0.000 1.090 695 M CA 0.488 55.781 55.300 -0.012 0.000 1.110 695 M CB 0.269 32.852 32.600 -0.027 0.000 1.407 695 M HN -0.197 nan 8.290 nan 0.000 0.470 696 V N 1.192 121.091 119.914 -0.025 0.000 2.409 696 V HA 0.418 4.537 4.120 -0.001 0.000 0.291 696 V C 0.251 176.354 176.094 0.014 0.000 1.020 696 V CA -0.946 61.358 62.300 0.007 0.000 0.848 696 V CB 1.276 33.050 31.823 -0.082 0.000 0.990 696 V HN 0.376 nan 8.190 nan 0.000 0.430 697 E N 2.743 122.969 120.200 0.045 0.000 2.373 697 E HA 0.657 5.007 4.350 -0.001 0.000 0.267 697 E C 0.428 177.049 176.600 0.034 0.000 1.032 697 E CA 0.234 56.653 56.400 0.032 0.000 0.889 697 E CB 1.264 30.986 29.700 0.036 0.000 0.984 697 E HN 1.824 nan 8.360 nan 0.000 0.425 698 G N 0.892 109.703 108.800 0.018 0.000 2.312 698 G HA2 0.276 4.236 3.960 -0.001 0.000 0.347 698 G HA3 0.276 4.236 3.960 -0.001 0.000 0.347 698 G C -0.016 174.885 174.900 0.001 0.000 1.564 698 G CA 0.255 45.364 45.100 0.015 0.000 0.981 698 G HN 1.118 nan 8.290 nan 0.000 0.678 699 N N -1.794 116.905 118.700 -0.001 0.000 2.360 699 N HA 0.390 5.129 4.740 -0.001 0.000 0.211 699 N C 0.895 176.398 175.510 -0.011 0.000 1.147 699 N CA 1.358 54.404 53.050 -0.007 0.000 0.866 699 N CB 0.017 38.502 38.487 -0.004 0.000 1.206 699 N HN 1.296 nan 8.380 nan 0.000 0.478 700 Q N 0.724 120.519 119.800 -0.008 0.000 2.260 700 Q HA 0.664 5.003 4.340 -0.001 0.000 0.242 700 Q C 1.043 177.033 176.000 -0.017 0.000 0.932 700 Q CA -0.286 55.511 55.803 -0.010 0.000 0.891 700 Q CB -0.238 28.497 28.738 -0.005 0.000 1.222 700 Q HN 0.807 nan 8.270 nan 0.000 0.453 701 G N 0.115 108.903 108.800 -0.019 0.000 2.601 701 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.252 701 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.252 701 G C 0.024 174.898 174.900 -0.043 0.000 1.294 701 G CA 0.435 45.519 45.100 -0.027 0.000 0.912 701 G HN 1.072 nan 8.290 nan 0.000 0.574 702 Q N -1.713 118.053 119.800 -0.057 0.000 2.962 702 Q HA 0.868 5.207 4.340 -0.001 0.000 0.282 702 Q C -0.103 175.827 176.000 -0.117 0.000 1.058 702 Q CA -0.713 55.037 55.803 -0.088 0.000 0.854 702 Q CB 1.899 30.584 28.738 -0.088 0.000 1.441 702 Q HN 1.036 nan 8.270 nan 0.000 0.497 703 M N -0.013 119.484 119.600 -0.171 0.000 2.325 703 M HA 0.365 4.844 4.480 -0.001 0.000 0.285 703 M C -2.094 174.044 176.300 -0.270 0.000 1.119 703 M CA -0.350 54.817 55.300 -0.221 0.000 0.959 703 M CB 1.793 34.228 32.600 -0.275 0.000 1.737 703 M HN 0.735 nan 8.290 nan 0.000 0.486 704 C N 6.258 125.410 119.300 -0.246 0.000 2.555 704 C HA 0.485 4.945 4.460 -0.001 0.000 0.385 704 C C -0.120 174.683 174.990 -0.311 0.000 1.296 704 C CA -0.489 58.370 59.018 -0.265 0.000 1.757 704 C CB -1.228 26.405 27.740 -0.179 0.000 2.445 704 C HN 0.658 nan 8.230 nan 0.000 0.571 705 I N 6.291 126.610 120.570 -0.418 0.000 2.304 705 I HA 0.130 4.300 4.170 -0.001 0.000 0.291 705 I C 0.375 176.345 176.117 -0.244 0.000 1.018 705 I CA 0.280 61.363 61.300 -0.360 0.000 1.260 705 I CB 0.665 38.393 38.000 -0.452 0.000 1.390 705 I HN 0.693 nan 8.210 nan 0.000 0.475 706 N N 7.624 126.222 118.700 -0.170 0.000 2.508 706 N HA 0.082 4.821 4.740 -0.001 0.000 0.253 706 N C -0.080 175.381 175.510 -0.082 0.000 1.145 706 N CA -0.143 52.833 53.050 -0.123 0.000 0.973 706 N CB 0.370 38.796 38.487 -0.101 0.000 1.305 706 N HN 0.550 nan 8.380 nan 0.000 0.506 707 M N 2.290 121.853 119.600 -0.062 0.000 2.350 707 M HA 0.055 4.534 4.480 -0.001 0.000 0.338 707 M C 0.039 176.331 176.300 -0.014 0.000 1.559 707 M CA -0.142 55.160 55.300 0.004 0.000 1.217 707 M CB 0.312 32.944 32.600 0.055 0.000 1.808 707 M HN 0.331 nan 8.290 nan 0.000 0.458 708 E N 5.920 126.150 120.200 0.049 0.000 2.148 708 E HA -0.012 4.337 4.350 -0.001 0.000 0.308 708 E C 0.340 177.082 176.600 0.238 0.000 1.278 708 E CA 0.075 56.531 56.400 0.093 0.000 1.368 708 E CB -0.251 29.504 29.700 0.091 0.000 1.229 708 E HN 0.728 nan 8.360 nan 0.000 0.494 709 W N 1.687 123.050 121.300 0.105 0.000 2.611 709 W HA 0.169 4.829 4.660 0.000 0.000 0.251 709 W C 1.133 177.836 176.519 0.307 0.000 1.265 709 W CA 0.616 58.047 57.345 0.143 0.000 1.295 709 W CB -1.060 28.465 29.460 0.108 0.000 1.129 709 W HN 0.286 nan 8.180 nan 0.000 0.630 710 G N 0.867 110.127 108.800 0.768 0.000 2.535 710 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.218 710 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.218 710 G C 1.619 176.750 174.900 0.386 0.000 1.122 710 G CA 1.109 46.556 45.100 0.578 0.000 0.769 710 G HN 0.470 nan 8.290 nan 0.000 0.549 711 A N 0.044 123.062 122.820 0.331 0.000 2.195 711 A HA 0.414 4.733 4.320 -0.001 0.000 0.210 711 A C 0.780 178.500 177.584 0.228 0.000 1.165 711 A CA -0.626 51.547 52.037 0.227 0.000 0.806 711 A CB -0.217 18.893 19.000 0.182 0.000 0.847 711 A HN 0.260 nan 8.150 nan 0.000 0.482 712 F N 1.859 121.841 119.950 0.053 0.000 2.514 712 F HA 0.326 4.850 4.527 -0.005 0.000 0.399 712 F C 1.283 177.052 175.800 -0.052 0.000 1.011 712 F CA 0.955 58.891 58.000 -0.107 0.000 1.109 712 F CB -0.559 38.159 39.000 -0.470 0.000 0.980 712 F HN 0.401 nan 8.300 nan 0.000 0.538 713 G N 4.341 113.055 108.800 -0.145 0.000 2.201 713 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.212 713 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.212 713 G C 0.765 175.612 174.900 -0.089 0.000 0.994 713 G CA 0.138 45.084 45.100 -0.257 0.000 0.644 713 G HN 0.552 nan 8.290 nan 0.000 0.508 714 D N 1.020 121.416 120.400 -0.007 0.000 2.350 714 D HA -0.027 4.612 4.640 -0.001 0.000 0.216 714 D C 2.193 178.495 176.300 0.004 0.000 0.968 714 D CA 1.255 55.261 54.000 0.010 0.000 0.894 714 D CB -0.037 40.790 40.800 0.046 0.000 0.909 714 D HN 0.697 nan 8.370 nan 0.000 0.520 715 N N -0.658 118.042 118.700 -0.000 0.000 2.368 715 N HA 0.032 4.772 4.740 -0.001 0.000 0.178 715 N C 1.486 176.983 175.510 -0.022 0.000 1.076 715 N CA 1.063 54.114 53.050 0.001 0.000 0.889 715 N CB 0.673 39.172 38.487 0.020 0.000 1.040 715 N HN 0.185 nan 8.380 nan 0.000 0.463 716 G N 0.361 109.131 108.800 -0.050 0.000 2.296 716 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.188 716 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.188 716 G C 1.024 175.870 174.900 -0.090 0.000 1.000 716 G CA 0.013 45.073 45.100 -0.066 0.000 0.672 716 G HN 0.548 nan 8.290 nan 0.000 0.483 717 C N 0.363 119.605 119.300 -0.096 0.000 2.460 717 C HA 0.537 4.997 4.460 -0.001 0.000 0.291 717 C C 1.996 176.858 174.990 -0.213 0.000 1.493 717 C CA 0.837 59.793 59.018 -0.104 0.000 1.748 717 C CB -1.328 26.401 27.740 -0.017 0.000 1.656 717 C HN 0.373 nan 8.230 nan 0.000 0.576 718 L N 0.088 121.147 121.223 -0.272 0.000 2.966 718 L HA 0.203 4.542 4.340 -0.001 0.000 0.262 718 L C 0.965 177.727 176.870 -0.179 0.000 1.165 718 L CA 0.181 54.844 54.840 -0.295 0.000 0.978 718 L CB -0.138 41.664 42.059 -0.429 0.000 1.337 718 L HN 0.087 nan 8.230 nan 0.000 0.563 719 D N 0.712 121.028 120.400 -0.141 0.000 2.392 719 D HA -0.141 4.498 4.640 -0.001 0.000 0.228 719 D C 1.218 177.455 176.300 -0.106 0.000 1.003 719 D CA 0.837 54.770 54.000 -0.113 0.000 0.917 719 D CB 0.082 40.827 40.800 -0.092 0.000 0.890 719 D HN 0.535 nan 8.370 nan 0.000 0.532 720 D N -0.372 119.967 120.400 -0.102 0.000 2.346 720 D HA -0.037 4.602 4.640 -0.001 0.000 0.206 720 D C 1.845 178.086 176.300 -0.099 0.000 1.001 720 D CA 0.217 54.164 54.000 -0.088 0.000 0.871 720 D CB -0.294 40.466 40.800 -0.066 0.000 0.943 720 D HN 0.422 nan 8.370 nan 0.000 0.518 721 I N -2.828 117.674 120.570 -0.113 0.000 4.070 721 I HA 0.296 4.465 4.170 -0.001 0.000 0.328 721 I C 0.183 176.199 176.117 -0.168 0.000 1.298 721 I CA -0.652 60.574 61.300 -0.123 0.000 1.173 721 I CB 0.228 38.173 38.000 -0.092 0.000 1.051 721 I HN -0.291 nan 8.210 nan 0.000 0.409 722 R N 3.022 123.426 120.500 -0.160 0.000 2.389 722 R HA 0.279 4.618 4.340 -0.001 0.000 0.295 722 R C 0.378 176.545 176.300 -0.221 0.000 1.075 722 R CA 0.183 56.184 56.100 -0.164 0.000 1.005 722 R CB 0.916 31.142 30.300 -0.124 0.000 0.987 722 R HN 0.383 nan 8.270 nan 0.000 0.452 723 T N -2.081 112.317 114.554 -0.260 0.000 2.897 723 T HA 0.130 4.479 4.350 -0.001 0.000 0.278 723 T C 0.745 175.298 174.700 -0.244 0.000 0.981 723 T CA -0.988 60.909 62.100 -0.339 0.000 0.973 723 T CB 1.169 69.761 68.868 -0.459 0.000 1.092 723 T HN 0.410 nan 8.240 nan 0.000 0.543 724 D N -0.218 119.964 120.400 -0.363 0.000 2.264 724 D HA -0.024 4.616 4.640 -0.001 0.000 0.208 724 D C 1.406 177.547 176.300 -0.265 0.000 0.966 724 D CA 0.929 54.727 54.000 -0.337 0.000 0.864 724 D CB -0.131 40.405 40.800 -0.439 0.000 0.933 724 D HN 0.466 nan 8.370 nan 0.000 0.499 725 F N 1.656 121.637 119.950 0.052 0.000 2.187 725 F HA -0.040 4.486 4.527 -0.002 0.000 0.295 725 F C 2.193 178.044 175.800 0.086 0.000 1.091 725 F CA 0.412 58.472 58.000 0.101 0.000 1.308 725 F CB -0.487 38.637 39.000 0.207 0.000 1.030 725 F HN -0.147 nan 8.300 nan 0.000 0.487 726 D N 0.401 120.928 120.400 0.210 0.000 2.144 726 D HA -0.159 4.480 4.640 -0.001 0.000 0.199 726 D C 2.014 178.351 176.300 0.062 0.000 0.984 726 D CA 1.106 55.175 54.000 0.115 0.000 0.834 726 D CB -0.278 40.540 40.800 0.029 0.000 0.955 726 D HN 0.297 nan 8.370 nan 0.000 0.465 727 K N 0.416 120.830 120.400 0.024 0.000 2.283 727 K HA -0.036 4.284 4.320 -0.001 0.000 0.202 727 K C 2.059 178.697 176.600 0.063 0.000 1.048 727 K CA 0.186 56.479 56.287 0.010 0.000 0.948 727 K CB 0.326 32.804 32.500 -0.035 0.000 0.742 727 K HN -0.005 nan 8.250 nan 0.000 0.458 728 V N 0.335 120.323 119.914 0.124 0.000 2.379 728 V HA -0.173 3.946 4.120 -0.001 0.000 0.243 728 V C 2.150 178.390 176.094 0.244 0.000 1.035 728 V CA 1.087 63.511 62.300 0.207 0.000 1.035 728 V CB 0.037 32.005 31.823 0.241 0.000 0.673 728 V HN 0.015 nan 8.190 nan 0.000 0.457 729 V N 0.805 120.837 119.914 0.197 0.000 2.252 729 V HA -0.352 3.767 4.120 -0.001 0.000 0.249 729 V C 2.272 178.472 176.094 0.177 0.000 1.056 729 V CA 2.701 65.117 62.300 0.193 0.000 1.022 729 V CB -0.720 31.208 31.823 0.174 0.000 0.641 729 V HN 0.719 nan 8.190 nan 0.000 0.445 730 D N -0.057 120.403 120.400 0.099 0.000 2.077 730 D HA -0.243 4.396 4.640 -0.001 0.000 0.193 730 D C 2.248 178.588 176.300 0.066 0.000 0.989 730 D CA 1.702 55.729 54.000 0.045 0.000 0.831 730 D CB -0.322 40.477 40.800 -0.003 0.000 0.979 730 D HN 0.477 nan 8.370 nan 0.000 0.449 731 E N -1.644 118.586 120.200 0.051 0.000 2.273 731 E HA -0.231 4.118 4.350 -0.001 0.000 0.198 731 E C 0.976 177.546 176.600 -0.050 0.000 1.002 731 E CA 0.820 57.210 56.400 -0.015 0.000 0.828 731 E CB -0.098 29.577 29.700 -0.042 0.000 0.747 731 E HN 0.495 nan 8.360 nan 0.000 0.491 732 Y N 0.030 120.360 120.300 0.051 0.000 2.458 732 Y HA 0.085 4.634 4.550 -0.002 0.000 0.256 732 Y C 1.099 177.042 175.900 0.072 0.000 1.159 732 Y CA 0.102 58.237 58.100 0.059 0.000 1.261 732 Y CB 0.537 39.035 38.460 0.063 0.000 1.119 732 Y HN -0.000 nan 8.280 nan 0.000 0.524 733 S N -1.204 114.624 115.700 0.214 0.000 2.652 733 S HA 0.196 4.665 4.470 -0.001 0.000 0.267 733 S C 1.264 175.951 174.600 0.144 0.000 1.201 733 S CA -0.602 57.717 58.200 0.198 0.000 0.996 733 S CB 0.578 63.904 63.200 0.210 0.000 1.054 733 S HN 0.248 nan 8.310 nan 0.000 0.561 734 L N 0.784 122.095 121.223 0.145 0.000 1.961 734 L HA -0.044 4.295 4.340 -0.001 0.000 0.209 734 L C 1.044 177.978 176.870 0.107 0.000 1.075 734 L CA 1.226 56.132 54.840 0.111 0.000 0.749 734 L CB -0.920 41.203 42.059 0.106 0.000 0.890 734 L HN 0.784 nan 8.230 nan 0.000 0.433 735 N N 0.759 119.536 118.700 0.129 0.000 2.895 735 N HA -0.017 4.722 4.740 -0.001 0.000 0.277 735 N C -0.713 174.844 175.510 0.078 0.000 1.185 735 N CA -0.051 53.067 53.050 0.114 0.000 1.106 735 N CB -0.110 38.464 38.487 0.145 0.000 1.422 735 N HN 0.032 nan 8.380 nan 0.000 0.521 736 S N 0.164 115.899 115.700 0.058 0.000 2.443 736 S HA 0.470 4.939 4.470 -0.001 0.000 0.284 736 S C 1.486 176.099 174.600 0.021 0.000 1.206 736 S CA -0.137 58.082 58.200 0.031 0.000 1.074 736 S CB 0.383 63.589 63.200 0.010 0.000 0.963 736 S HN 0.861 nan 8.310 nan 0.000 0.501 737 G N 0.958 109.764 108.800 0.011 0.000 2.218 737 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.216 737 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.216 737 G C 0.084 174.994 174.900 0.017 0.000 0.994 737 G CA -0.061 45.043 45.100 0.007 0.000 0.637 737 G HN 1.046 nan 8.290 nan 0.000 0.505 738 K N 0.178 120.598 120.400 0.032 0.000 2.123 738 K HA 0.779 5.098 4.320 -0.001 0.000 0.248 738 K C 0.999 177.622 176.600 0.038 0.000 0.969 738 K CA 0.279 56.597 56.287 0.053 0.000 0.882 738 K CB 0.156 32.707 32.500 0.085 0.000 1.080 738 K HN 0.972 nan 8.250 nan 0.000 0.441 739 Q N -0.082 119.761 119.800 0.072 0.000 2.453 739 Q HA -0.220 4.119 4.340 -0.001 0.000 0.294 739 Q C 0.993 176.996 176.000 0.004 0.000 1.295 739 Q CA 1.091 56.939 55.803 0.075 0.000 0.853 739 Q CB -1.851 26.932 28.738 0.075 0.000 1.193 739 Q HN 0.845 nan 8.270 nan 0.000 0.461 740 R N -0.605 119.908 120.500 0.022 0.000 2.073 740 R HA -0.089 4.250 4.340 -0.001 0.000 0.234 740 R C 1.940 178.257 176.300 0.029 0.000 1.134 740 R CA 1.554 57.644 56.100 -0.016 0.000 0.952 740 R CB -0.322 29.963 30.300 -0.025 0.000 0.850 740 R HN 0.296 nan 8.270 nan 0.000 0.433 741 F N 2.161 122.068 119.950 -0.073 0.000 2.216 741 F HA -0.173 4.354 4.527 -0.002 0.000 0.300 741 F C 2.308 178.101 175.800 -0.012 0.000 1.085 741 F CA 1.607 59.563 58.000 -0.073 0.000 1.326 741 F CB -0.109 38.879 39.000 -0.020 0.000 1.027 741 F HN 0.044 nan 8.300 nan 0.000 0.497 742 E N 0.142 120.399 120.200 0.095 0.000 2.107 742 E HA -0.190 4.159 4.350 -0.001 0.000 0.191 742 E C 1.990 178.581 176.600 -0.016 0.000 0.982 742 E CA 0.819 57.260 56.400 0.069 0.000 0.809 742 E CB -0.133 29.689 29.700 0.204 0.000 0.756 742 E HN 0.362 nan 8.360 nan 0.000 0.459 743 K N 0.121 120.394 120.400 -0.211 0.000 2.442 743 K HA -0.070 4.249 4.320 -0.001 0.000 0.198 743 K C 1.573 178.118 176.600 -0.092 0.000 1.042 743 K CA 1.207 57.226 56.287 -0.447 0.000 0.958 743 K CB 0.006 32.175 32.500 -0.552 0.000 0.766 743 K HN 0.376 nan 8.250 nan 0.000 0.474 744 M N -2.006 117.558 119.600 -0.060 0.000 2.496 744 M HA 0.298 4.777 4.480 -0.001 0.000 0.330 744 M C 0.540 176.830 176.300 -0.017 0.000 1.133 744 M CA 0.372 55.667 55.300 -0.009 0.000 0.964 744 M CB 0.518 33.099 32.600 -0.032 0.000 1.401 744 M HN -0.072 nan 8.290 nan 0.000 0.520 745 I N -0.642 119.937 120.570 0.014 0.000 4.547 745 I HA 0.109 4.278 4.170 -0.001 0.000 0.303 745 I C 0.681 176.893 176.117 0.157 0.000 1.188 745 I CA -0.024 61.319 61.300 0.071 0.000 1.320 745 I CB 0.723 38.689 38.000 -0.057 0.000 1.495 745 I HN 0.308 nan 8.210 nan 0.000 0.462 746 S N 1.291 117.100 115.700 0.182 0.000 2.592 746 S HA 0.280 4.749 4.470 -0.001 0.000 0.271 746 S C 1.306 175.961 174.600 0.093 0.000 1.326 746 S CA 0.080 58.369 58.200 0.148 0.000 1.024 746 S CB 1.325 64.648 63.200 0.205 0.000 0.921 746 S HN 0.352 nan 8.310 nan 0.000 0.527 747 G N 0.870 109.669 108.800 -0.002 0.000 2.527 747 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.219 747 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.219 747 G C 0.975 175.830 174.900 -0.075 0.000 1.117 747 G CA 0.751 45.835 45.100 -0.026 0.000 0.759 747 G HN 0.786 nan 8.290 nan 0.000 0.556 748 M N -1.358 118.126 119.600 -0.193 0.000 2.509 748 M HA 0.280 4.759 4.480 -0.001 0.000 0.250 748 M C 1.253 177.227 176.300 -0.542 0.000 1.132 748 M CA 0.628 55.675 55.300 -0.421 0.000 1.080 748 M CB 0.413 32.614 32.600 -0.666 0.000 1.408 748 M HN 0.267 nan 8.290 nan 0.000 0.484 749 Y N -1.034 119.299 120.300 0.055 0.000 2.638 749 Y HA 0.216 4.766 4.550 -0.001 0.000 0.275 749 Y C 1.711 177.646 175.900 0.058 0.000 1.122 749 Y CA -0.037 58.099 58.100 0.061 0.000 1.266 749 Y CB -0.285 38.213 38.460 0.063 0.000 1.317 749 Y HN -0.018 nan 8.280 nan 0.000 0.501 750 L N -0.124 121.209 121.223 0.183 0.000 2.021 750 L HA -0.232 4.107 4.340 -0.001 0.000 0.215 750 L C 2.562 179.474 176.870 0.070 0.000 1.074 750 L CA 1.818 56.729 54.840 0.118 0.000 0.760 750 L CB -1.164 40.958 42.059 0.106 0.000 0.889 750 L HN 0.411 nan 8.230 nan 0.000 0.433 751 G N -0.693 108.161 108.800 0.090 0.000 2.442 751 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.219 751 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.219 751 G C 1.482 176.435 174.900 0.088 0.000 1.141 751 G CA 0.412 45.580 45.100 0.113 0.000 0.763 751 G HN 0.283 nan 8.290 nan 0.000 0.554 752 E N 0.284 120.546 120.200 0.103 0.000 2.204 752 E HA -0.004 4.345 4.350 -0.001 0.000 0.194 752 E C 2.584 179.209 176.600 0.040 0.000 0.989 752 E CA 0.270 56.727 56.400 0.096 0.000 0.824 752 E CB -0.062 29.722 29.700 0.140 0.000 0.756 752 E HN 0.547 nan 8.360 nan 0.000 0.477 753 I N 0.126 120.714 120.570 0.030 0.000 2.193 753 I HA -0.202 3.967 4.170 -0.001 0.000 0.240 753 I C 2.339 178.324 176.117 -0.219 0.000 1.084 753 I CA 0.609 61.901 61.300 -0.013 0.000 1.365 753 I CB -0.390 37.647 38.000 0.062 0.000 1.064 753 I HN -0.081 nan 8.210 nan 0.000 0.410 754 V N 1.156 120.914 119.914 -0.259 0.000 2.332 754 V HA -0.308 3.811 4.120 -0.001 0.000 0.248 754 V C 2.649 178.462 176.094 -0.467 0.000 1.055 754 V CA 2.051 64.090 62.300 -0.436 0.000 1.038 754 V CB -0.884 30.643 31.823 -0.493 0.000 0.651 754 V HN 0.426 nan 8.190 nan 0.000 0.450 755 R N 0.194 120.520 120.500 -0.289 0.000 2.115 755 R HA -0.118 4.221 4.340 -0.001 0.000 0.230 755 R C 2.100 178.316 176.300 -0.140 0.000 1.111 755 R CA 1.537 57.578 56.100 -0.098 0.000 0.976 755 R CB -0.205 30.195 30.300 0.167 0.000 0.870 755 R HN 0.568 nan 8.270 nan 0.000 0.445 756 N N 0.264 118.842 118.700 -0.203 0.000 2.409 756 N HA -0.067 4.672 4.740 -0.001 0.000 0.179 756 N C 1.725 176.896 175.510 -0.564 0.000 1.032 756 N CA 0.927 53.843 53.050 -0.224 0.000 0.898 756 N CB 0.148 38.606 38.487 -0.047 0.000 0.971 756 N HN 0.307 nan 8.380 nan 0.000 0.441 757 I N 1.181 121.222 120.570 -0.882 0.000 2.233 757 I HA -0.194 3.975 4.170 -0.001 0.000 0.243 757 I C 2.185 177.764 176.117 -0.897 0.000 1.093 757 I CA 0.766 61.292 61.300 -1.290 0.000 1.380 757 I CB -0.210 37.056 38.000 -1.223 0.000 1.067 757 I HN 0.024 nan 8.210 nan 0.000 0.413 758 L N 0.587 121.481 121.223 -0.550 0.000 2.042 758 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 758 L C 2.582 179.404 176.870 -0.081 0.000 1.076 758 L CA 1.571 56.267 54.840 -0.240 0.000 0.749 758 L CB -0.620 41.416 42.059 -0.039 0.000 0.893 758 L HN 0.251 nan 8.230 nan 0.000 0.432 759 I N 0.099 120.619 120.570 -0.084 0.000 2.264 759 I HA -0.323 3.846 4.170 -0.001 0.000 0.248 759 I C 2.205 178.316 176.117 -0.010 0.000 1.111 759 I CA 1.579 62.877 61.300 -0.003 0.000 1.382 759 I CB -0.351 37.644 38.000 -0.009 0.000 1.060 759 I HN 0.329 nan 8.210 nan 0.000 0.418 760 D N 0.852 121.204 120.400 -0.080 0.000 2.078 760 D HA -0.210 4.430 4.640 -0.001 0.000 0.193 760 D C 2.113 178.456 176.300 0.072 0.000 0.990 760 D CA 1.568 55.574 54.000 0.011 0.000 0.827 760 D CB -0.036 40.786 40.800 0.036 0.000 0.975 760 D HN 0.084 nan 8.370 nan 0.000 0.451 761 F N 0.853 120.737 119.950 -0.110 0.000 2.154 761 F HA -0.150 4.376 4.527 -0.002 0.000 0.301 761 F C 2.709 178.382 175.800 -0.212 0.000 1.087 761 F CA 1.179 59.083 58.000 -0.160 0.000 1.274 761 F CB -1.425 37.565 39.000 -0.017 0.000 1.009 761 F HN 0.050 nan 8.300 nan 0.000 0.485 762 T N -0.173 114.439 114.554 0.096 0.000 2.746 762 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 762 T C 2.367 177.067 174.700 -0.001 0.000 1.039 762 T CA 2.300 64.441 62.100 0.069 0.000 1.142 762 T CB -0.477 68.494 68.868 0.172 0.000 0.866 762 T HN 0.354 nan 8.240 nan 0.000 0.444 763 K N 1.646 122.036 120.400 -0.016 0.000 2.152 763 K HA -0.052 4.268 4.320 -0.001 0.000 0.206 763 K C 1.918 178.449 176.600 -0.115 0.000 1.048 763 K CA 1.495 57.759 56.287 -0.038 0.000 0.933 763 K CB -0.638 31.854 32.500 -0.015 0.000 0.721 763 K HN 0.413 nan 8.250 nan 0.000 0.447 764 K N -1.481 118.758 120.400 -0.269 0.000 2.444 764 K HA 0.190 4.509 4.320 -0.001 0.000 0.193 764 K C 1.103 177.444 176.600 -0.431 0.000 1.024 764 K CA 0.398 56.369 56.287 -0.527 0.000 1.077 764 K CB 0.225 31.998 32.500 -1.211 0.000 0.833 764 K HN 0.547 nan 8.250 nan 0.000 0.517 765 G N 1.019 109.711 108.800 -0.179 0.000 2.189 765 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.267 765 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.267 765 G C 0.577 175.550 174.900 0.122 0.000 0.975 765 G CA 0.199 45.295 45.100 -0.007 0.000 0.644 765 G HN 0.280 nan 8.290 nan 0.000 0.537 766 F N -0.672 119.225 119.950 -0.088 0.000 2.604 766 F HA 0.545 5.071 4.527 -0.002 0.000 0.298 766 F C 1.229 176.908 175.800 -0.202 0.000 1.131 766 F CA 0.366 58.249 58.000 -0.195 0.000 1.457 766 F CB -0.275 38.511 39.000 -0.356 0.000 1.095 766 F HN 0.319 nan 8.300 nan 0.000 0.574 767 L N -2.519 118.715 121.223 0.018 0.000 2.469 767 L HA 0.475 4.814 4.340 -0.001 0.000 0.256 767 L C -0.760 176.039 176.870 -0.118 0.000 1.006 767 L CA -0.784 53.935 54.840 -0.200 0.000 0.832 767 L CB 0.994 42.851 42.059 -0.337 0.000 1.421 767 L HN -0.094 nan 8.230 nan 0.000 0.410 768 F N 1.738 121.719 119.950 0.052 0.000 3.019 768 F HA -0.193 4.334 4.527 -0.001 0.000 0.259 768 F C 1.450 177.266 175.800 0.026 0.000 0.976 768 F CA 1.635 59.655 58.000 0.034 0.000 0.876 768 F CB -2.422 36.596 39.000 0.032 0.000 0.784 768 F HN 0.883 nan 8.300 nan 0.000 0.786 769 R N -1.628 118.956 120.500 0.139 0.000 3.322 769 R HA 0.108 4.448 4.340 -0.001 0.000 0.253 769 R C 2.062 178.415 176.300 0.088 0.000 0.987 769 R CA 1.671 57.827 56.100 0.094 0.000 0.666 769 R CB -2.611 27.739 30.300 0.083 0.000 1.072 769 R HN 2.397 nan 8.270 nan 0.000 0.447 770 G N -4.097 104.755 108.800 0.086 0.000 2.200 770 G HA2 0.139 4.098 3.960 -0.001 0.000 0.267 770 G HA3 0.139 4.098 3.960 -0.001 0.000 0.267 770 G C 0.423 175.365 174.900 0.069 0.000 0.993 770 G CA 1.670 46.806 45.100 0.061 0.000 0.701 770 G HN 2.539 nan 8.290 nan 0.000 0.524 771 Q N -0.274 119.586 119.800 0.099 0.000 2.325 771 Q HA 0.772 5.111 4.340 -0.001 0.000 0.262 771 Q C 0.189 176.237 176.000 0.080 0.000 0.968 771 Q CA -0.634 55.212 55.803 0.071 0.000 0.877 771 Q CB 0.870 29.638 28.738 0.051 0.000 1.253 771 Q HN 0.807 nan 8.270 nan 0.000 0.448 772 I N 3.338 123.938 120.570 0.050 0.000 2.278 772 I HA 0.169 4.338 4.170 -0.001 0.000 0.296 772 I C 0.706 176.818 176.117 -0.008 0.000 1.121 772 I CA -0.430 60.892 61.300 0.037 0.000 1.267 772 I CB 0.590 38.608 38.000 0.030 0.000 1.447 772 I HN 0.759 nan 8.210 nan 0.000 0.509 773 S N 3.163 118.835 115.700 -0.048 0.000 2.585 773 S HA 0.117 4.586 4.470 -0.001 0.000 0.273 773 S C 1.000 175.555 174.600 -0.075 0.000 1.339 773 S CA -0.659 57.491 58.200 -0.083 0.000 1.028 773 S CB 1.769 64.876 63.200 -0.155 0.000 0.906 773 S HN 0.602 nan 8.310 nan 0.000 0.528 774 E N 2.108 122.265 120.200 -0.071 0.000 2.070 774 E HA -0.090 4.259 4.350 -0.001 0.000 0.197 774 E C -0.723 175.827 176.600 -0.083 0.000 1.004 774 E CA 1.917 58.278 56.400 -0.065 0.000 0.805 774 E CB -1.134 28.530 29.700 -0.060 0.000 0.744 774 E HN 0.666 nan 8.360 nan 0.000 0.451 775 P HA -0.174 nan 4.420 nan 0.000 0.218 775 P C 1.470 178.689 177.300 -0.134 0.000 1.148 775 P CA 0.913 63.928 63.100 -0.142 0.000 0.822 775 P CB 0.042 31.629 31.700 -0.188 0.000 0.784 776 L N 0.415 121.568 121.223 -0.116 0.000 2.131 776 L HA -0.094 4.245 4.340 -0.001 0.000 0.210 776 L C 2.058 178.923 176.870 -0.007 0.000 1.092 776 L CA 1.901 56.717 54.840 -0.040 0.000 0.759 776 L CB -0.990 41.057 42.059 -0.021 0.000 0.903 776 L HN -0.135 nan 8.230 nan 0.000 0.435 777 K N -1.355 119.023 120.400 -0.036 0.000 2.459 777 K HA 0.089 4.408 4.320 -0.001 0.000 0.193 777 K C 0.295 176.866 176.600 -0.047 0.000 1.030 777 K CA 0.199 56.463 56.287 -0.038 0.000 1.026 777 K CB -0.329 32.146 32.500 -0.041 0.000 0.809 777 K HN 0.261 nan 8.250 nan 0.000 0.504 778 T N 2.933 117.455 114.554 -0.053 0.000 2.752 778 T HA 0.122 4.472 4.350 -0.001 0.000 0.295 778 T C 0.233 174.911 174.700 -0.037 0.000 0.923 778 T CA -0.195 61.872 62.100 -0.055 0.000 1.112 778 T CB 0.518 69.341 68.868 -0.076 0.000 0.884 778 T HN 0.110 nan 8.240 nan 0.000 0.525 779 R N 1.945 122.426 120.500 -0.032 0.000 2.585 779 R HA 0.297 4.636 4.340 -0.001 0.000 0.275 779 R C 1.547 177.845 176.300 -0.003 0.000 1.018 779 R CA 0.740 56.833 56.100 -0.011 0.000 1.072 779 R CB 0.071 30.363 30.300 -0.014 0.000 0.953 779 R HN 1.023 nan 8.270 nan 0.000 0.419 780 G N 2.543 111.359 108.800 0.027 0.000 2.166 780 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.260 780 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.260 780 G C 0.653 175.564 174.900 0.018 0.000 0.986 780 G CA 0.406 45.522 45.100 0.028 0.000 0.683 780 G HN 0.647 nan 8.290 nan 0.000 0.527 781 I N -0.580 119.976 120.570 -0.023 0.000 2.423 781 I HA 0.148 4.317 4.170 -0.001 0.000 0.254 781 I C 0.926 176.899 176.117 -0.241 0.000 1.151 781 I CA 0.674 61.873 61.300 -0.169 0.000 1.421 781 I CB -0.139 37.678 38.000 -0.304 0.000 1.079 781 I HN 0.175 nan 8.210 nan 0.000 0.431 782 F N 2.004 122.001 119.950 0.079 0.000 2.395 782 F HA 0.322 4.848 4.527 -0.000 0.000 0.347 782 F C 0.909 176.769 175.800 0.101 0.000 1.157 782 F CA -0.680 57.393 58.000 0.122 0.000 1.272 782 F CB -0.467 38.575 39.000 0.070 0.000 1.607 782 F HN -0.007 nan 8.300 nan 0.000 0.571 783 E N 0.078 120.401 120.200 0.204 0.000 2.409 783 E HA 0.036 4.385 4.350 -0.001 0.000 0.257 783 E C 1.101 177.703 176.600 0.002 0.000 1.150 783 E CA -0.015 56.398 56.400 0.022 0.000 0.942 783 E CB 0.730 30.326 29.700 -0.174 0.000 0.979 783 E HN 0.362 nan 8.360 nan 0.000 0.447 784 T N 1.371 115.894 114.554 -0.052 0.000 2.759 784 T HA -0.221 4.128 4.350 -0.001 0.000 0.269 784 T C 2.116 176.761 174.700 -0.092 0.000 1.042 784 T CA 2.020 64.101 62.100 -0.031 0.000 1.140 784 T CB -0.265 68.575 68.868 -0.045 0.000 0.864 784 T HN 0.575 nan 8.240 nan 0.000 0.455 785 K N 0.948 121.199 120.400 -0.247 0.000 2.063 785 K HA -0.082 4.237 4.320 -0.001 0.000 0.208 785 K C 1.864 178.306 176.600 -0.263 0.000 1.048 785 K CA 1.777 57.854 56.287 -0.350 0.000 0.928 785 K CB -1.275 30.863 32.500 -0.604 0.000 0.713 785 K HN 0.416 nan 8.250 nan 0.000 0.442 786 F N 0.615 120.567 119.950 0.004 0.000 2.179 786 F HA 0.198 4.724 4.527 -0.002 0.000 0.292 786 F C 2.233 178.059 175.800 0.044 0.000 1.089 786 F CA 0.095 58.108 58.000 0.021 0.000 1.295 786 F CB -0.769 38.251 39.000 0.032 0.000 1.041 786 F HN -0.032 nan 8.300 nan 0.000 0.487 787 L N -0.522 120.850 121.223 0.249 0.000 2.013 787 L HA -0.296 4.043 4.340 -0.001 0.000 0.212 787 L C 2.477 179.350 176.870 0.005 0.000 1.073 787 L CA 1.734 56.676 54.840 0.170 0.000 0.753 787 L CB -1.051 41.119 42.059 0.185 0.000 0.890 787 L HN 0.126 nan 8.230 nan 0.000 0.432 788 S N -0.845 114.805 115.700 -0.083 0.000 2.383 788 S HA -0.248 4.221 4.470 -0.001 0.000 0.229 788 S C 1.900 176.376 174.600 -0.208 0.000 1.030 788 S CA 1.331 59.349 58.200 -0.304 0.000 1.002 788 S CB -0.206 62.871 63.200 -0.204 0.000 0.829 788 S HN 0.458 nan 8.310 nan 0.000 0.467 789 Q N 0.360 120.132 119.800 -0.046 0.000 2.020 789 Q HA 0.016 4.356 4.340 -0.001 0.000 0.198 789 Q C 2.254 178.256 176.000 0.003 0.000 0.974 789 Q CA 1.125 56.928 55.803 -0.000 0.000 0.829 789 Q CB -0.336 28.465 28.738 0.104 0.000 0.894 789 Q HN 0.475 nan 8.270 nan 0.000 0.433 790 I N 1.254 121.855 120.570 0.051 0.000 2.087 790 I HA -0.335 3.834 4.170 -0.001 0.000 0.240 790 I C 1.887 178.017 176.117 0.022 0.000 1.054 790 I CA 1.583 62.916 61.300 0.055 0.000 1.311 790 I CB -0.273 37.790 38.000 0.104 0.000 1.024 790 I HN 0.255 nan 8.210 nan 0.000 0.402 791 E N -0.030 120.161 120.200 -0.014 0.000 2.478 791 E HA -0.062 4.288 4.350 -0.001 0.000 0.198 791 E C 0.958 177.535 176.600 -0.039 0.000 1.046 791 E CA 0.036 56.439 56.400 0.005 0.000 0.870 791 E CB -0.026 29.665 29.700 -0.014 0.000 0.818 791 E HN 0.278 nan 8.360 nan 0.000 0.527 792 S N 0.970 116.603 115.700 -0.113 0.000 2.549 792 S HA -0.032 4.437 4.470 -0.001 0.000 0.283 792 S C 0.422 175.018 174.600 -0.007 0.000 1.320 792 S CA -0.467 57.659 58.200 -0.123 0.000 1.058 792 S CB 0.685 63.819 63.200 -0.110 0.000 0.882 792 S HN -0.016 nan 8.310 nan 0.000 0.498 793 D N 3.274 123.694 120.400 0.033 0.000 2.349 793 D HA 0.141 4.780 4.640 -0.001 0.000 0.215 793 D C 2.228 178.543 176.300 0.025 0.000 1.016 793 D CA 0.467 54.505 54.000 0.062 0.000 0.870 793 D CB 0.029 40.896 40.800 0.113 0.000 0.917 793 D HN 0.620 nan 8.370 nan 0.000 0.524 794 R N 0.265 120.767 120.500 0.003 0.000 2.236 794 R HA 0.140 4.479 4.340 -0.001 0.000 0.208 794 R C 1.181 177.481 176.300 -0.001 0.000 1.036 794 R CA 0.439 56.538 56.100 -0.002 0.000 1.001 794 R CB -1.083 29.210 30.300 -0.012 0.000 0.896 794 R HN 0.199 nan 8.270 nan 0.000 0.464 795 L N 1.302 122.525 121.223 0.001 0.000 2.326 795 L HA 0.564 4.903 4.340 -0.001 0.000 0.278 795 L C 0.670 177.545 176.870 0.007 0.000 1.092 795 L CA -0.836 54.005 54.840 0.003 0.000 0.810 795 L CB 1.512 43.574 42.059 0.005 0.000 1.153 795 L HN 0.357 nan 8.230 nan 0.000 0.439 796 A N 2.433 125.256 122.820 0.005 0.000 2.351 796 A HA 0.196 4.515 4.320 -0.001 0.000 0.257 796 A C 0.836 178.424 177.584 0.008 0.000 1.087 796 A CA -0.474 51.566 52.037 0.005 0.000 0.798 796 A CB 0.489 19.490 19.000 0.001 0.000 1.033 796 A HN 0.809 nan 8.150 nan 0.000 0.488 797 L N 1.917 123.146 121.223 0.010 0.000 2.261 797 L HA -0.170 4.170 4.340 -0.001 0.000 0.216 797 L C 2.083 178.959 176.870 0.010 0.000 1.114 797 L CA 1.797 56.644 54.840 0.013 0.000 0.777 797 L CB -0.481 41.586 42.059 0.014 0.000 0.910 797 L HN 0.833 nan 8.230 nan 0.000 0.440 798 L N -1.155 120.070 121.223 0.004 0.000 2.042 798 L HA -0.304 4.035 4.340 -0.001 0.000 0.210 798 L C 2.345 179.214 176.870 -0.002 0.000 1.076 798 L CA 1.753 56.593 54.840 -0.001 0.000 0.749 798 L CB -0.178 41.878 42.059 -0.005 0.000 0.893 798 L HN 0.435 nan 8.230 nan 0.000 0.432 799 Q N -1.181 118.618 119.800 -0.001 0.000 2.187 799 Q HA -0.110 4.229 4.340 -0.001 0.000 0.199 799 Q C 2.210 178.209 176.000 -0.001 0.000 0.957 799 Q CA 1.269 57.070 55.803 -0.003 0.000 0.857 799 Q CB 0.070 28.808 28.738 -0.000 0.000 0.929 799 Q HN 0.453 nan 8.270 nan 0.000 0.453 800 V N 1.310 121.230 119.914 0.009 0.000 2.407 800 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 800 V C 2.357 178.462 176.094 0.019 0.000 1.055 800 V CA 1.735 64.047 62.300 0.020 0.000 1.049 800 V CB -0.606 31.236 31.823 0.031 0.000 0.662 800 V HN 0.336 nan 8.190 nan 0.000 0.455 801 R N 0.293 120.803 120.500 0.018 0.000 2.096 801 R HA -0.148 4.191 4.340 -0.001 0.000 0.235 801 R C 2.243 178.539 176.300 -0.006 0.000 1.127 801 R CA 1.652 57.765 56.100 0.022 0.000 0.968 801 R CB -0.345 29.966 30.300 0.019 0.000 0.861 801 R HN 0.496 nan 8.270 nan 0.000 0.440 802 A N 1.254 124.060 122.820 -0.023 0.000 1.873 802 A HA -0.114 4.205 4.320 -0.001 0.000 0.215 802 A C 2.220 179.749 177.584 -0.090 0.000 1.186 802 A CA 1.211 53.219 52.037 -0.048 0.000 0.616 802 A CB -0.480 18.497 19.000 -0.038 0.000 0.823 802 A HN 0.309 nan 8.150 nan 0.000 0.442 803 I N -0.386 120.123 120.570 -0.100 0.000 2.151 803 I HA -0.305 3.865 4.170 -0.001 0.000 0.243 803 I C 2.431 178.393 176.117 -0.258 0.000 1.080 803 I CA 1.406 62.583 61.300 -0.205 0.000 1.339 803 I CB -0.351 37.559 38.000 -0.150 0.000 1.039 803 I HN 0.289 nan 8.210 nan 0.000 0.409 804 L N -0.148 120.996 121.223 -0.131 0.000 2.131 804 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 804 L C 2.622 179.403 176.870 -0.148 0.000 1.092 804 L CA 1.424 56.204 54.840 -0.100 0.000 0.759 804 L CB -0.426 41.667 42.059 0.058 0.000 0.903 804 L HN 0.332 nan 8.230 nan 0.000 0.435 805 Q N -0.951 118.779 119.800 -0.118 0.000 2.172 805 Q HA -0.205 4.134 4.340 -0.001 0.000 0.200 805 Q C 2.551 178.457 176.000 -0.155 0.000 0.964 805 Q CA 1.554 57.285 55.803 -0.120 0.000 0.855 805 Q CB -0.136 28.557 28.738 -0.076 0.000 0.918 805 Q HN 0.676 nan 8.270 nan 0.000 0.444 806 Q N 0.952 120.642 119.800 -0.184 0.000 2.167 806 Q HA -0.043 4.296 4.340 -0.001 0.000 0.202 806 Q C 1.834 177.679 176.000 -0.259 0.000 0.970 806 Q CA 1.007 56.688 55.803 -0.202 0.000 0.855 806 Q CB -0.757 27.850 28.738 -0.219 0.000 0.911 806 Q HN 0.409 nan 8.270 nan 0.000 0.438 807 L N -1.025 119.992 121.223 -0.343 0.000 2.549 807 L HA 0.159 4.498 4.340 -0.001 0.000 0.229 807 L C 1.897 178.599 176.870 -0.281 0.000 1.158 807 L CA 0.801 55.416 54.840 -0.375 0.000 0.842 807 L CB -0.228 41.532 42.059 -0.498 0.000 0.952 807 L HN 0.669 nan 8.230 nan 0.000 0.452 808 G N 0.115 108.775 108.800 -0.233 0.000 2.176 808 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.232 808 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.232 808 G C 0.207 174.970 174.900 -0.230 0.000 0.986 808 G CA -0.400 44.582 45.100 -0.198 0.000 0.643 808 G HN 0.211 nan 8.290 nan 0.000 0.522 809 L N 1.343 122.391 121.223 -0.292 0.000 2.313 809 L HA 0.334 4.673 4.340 -0.001 0.000 0.282 809 L C 0.701 177.381 176.870 -0.316 0.000 1.092 809 L CA -0.686 53.896 54.840 -0.430 0.000 0.831 809 L CB 1.033 42.724 42.059 -0.614 0.000 1.159 809 L HN 0.211 nan 8.230 nan 0.000 0.442 810 N N 3.049 121.586 118.700 -0.271 0.000 2.671 810 N HA 0.121 4.860 4.740 -0.001 0.000 0.274 810 N C -0.010 175.508 175.510 0.013 0.000 1.188 810 N CA 0.075 53.060 53.050 -0.108 0.000 1.065 810 N CB 0.299 38.747 38.487 -0.066 0.000 1.415 810 N HN 0.762 nan 8.380 nan 0.000 0.511 811 S N 1.177 116.921 115.700 0.074 0.000 2.554 811 S HA 0.447 4.916 4.470 -0.001 0.000 0.278 811 S C 0.708 175.400 174.600 0.154 0.000 1.242 811 S CA -0.503 57.867 58.200 0.283 0.000 1.051 811 S CB 0.320 63.739 63.200 0.365 0.000 0.986 811 S HN 0.597 nan 8.310 nan 0.000 0.502 812 T N -1.735 112.909 114.554 0.149 0.000 2.884 812 T HA 0.268 4.618 4.350 -0.001 0.000 0.277 812 T C 1.122 175.854 174.700 0.054 0.000 0.976 812 T CA -0.344 61.800 62.100 0.074 0.000 0.956 812 T CB 0.358 69.260 68.868 0.057 0.000 1.113 812 T HN 0.546 nan 8.240 nan 0.000 0.554 813 C N 0.382 119.700 119.300 0.030 0.000 2.432 813 C HA 0.014 4.473 4.460 -0.001 0.000 0.282 813 C C 2.289 177.290 174.990 0.018 0.000 1.388 813 C CA 0.782 59.813 59.018 0.022 0.000 1.777 813 C CB -1.529 26.218 27.740 0.012 0.000 1.882 813 C HN 0.888 nan 8.230 nan 0.000 0.520 814 D N 0.520 120.927 120.400 0.011 0.000 2.162 814 D HA -0.063 4.576 4.640 -0.001 0.000 0.205 814 D C 1.855 178.131 176.300 -0.041 0.000 0.964 814 D CA 1.060 55.055 54.000 -0.008 0.000 0.847 814 D CB -0.388 40.407 40.800 -0.009 0.000 0.988 814 D HN 0.428 nan 8.370 nan 0.000 0.480 815 D N 0.166 120.538 120.400 -0.045 0.000 2.104 815 D HA -0.100 4.539 4.640 -0.001 0.000 0.194 815 D C 2.034 178.303 176.300 -0.052 0.000 0.994 815 D CA 0.986 54.909 54.000 -0.128 0.000 0.830 815 D CB -0.306 40.447 40.800 -0.078 0.000 0.959 815 D HN 0.069 nan 8.370 nan 0.000 0.452 816 S N 0.662 116.383 115.700 0.035 0.000 2.400 816 S HA -0.129 4.340 4.470 -0.001 0.000 0.232 816 S C 2.234 176.846 174.600 0.020 0.000 1.025 816 S CA 0.550 58.783 58.200 0.054 0.000 0.993 816 S CB -0.171 63.063 63.200 0.057 0.000 0.808 816 S HN 0.295 nan 8.310 nan 0.000 0.478 817 I N 0.688 121.257 120.570 -0.002 0.000 2.202 817 I HA -0.144 4.025 4.170 -0.001 0.000 0.242 817 I C 2.353 178.454 176.117 -0.026 0.000 1.091 817 I CA 0.849 62.143 61.300 -0.009 0.000 1.368 817 I CB -0.288 37.706 38.000 -0.010 0.000 1.058 817 I HN 0.249 nan 8.210 nan 0.000 0.410 818 L N 0.568 121.757 121.223 -0.056 0.000 2.017 818 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 818 L C 2.414 179.259 176.870 -0.041 0.000 1.073 818 L CA 1.752 56.553 54.840 -0.065 0.000 0.745 818 L CB -0.589 41.401 42.059 -0.114 0.000 0.894 818 L HN -0.026 nan 8.230 nan 0.000 0.432 819 V N 0.376 120.260 119.914 -0.049 0.000 2.231 819 V HA -0.397 3.723 4.120 -0.001 0.000 0.248 819 V C 2.663 178.733 176.094 -0.039 0.000 1.054 819 V CA 2.424 64.702 62.300 -0.037 0.000 1.015 819 V CB -0.925 30.937 31.823 0.065 0.000 0.638 819 V HN 0.596 nan 8.190 nan 0.000 0.444 820 K N -0.405 119.993 120.400 -0.002 0.000 2.074 820 K HA -0.240 4.079 4.320 -0.001 0.000 0.209 820 K C 2.179 178.773 176.600 -0.009 0.000 1.048 820 K CA 2.203 58.495 56.287 0.007 0.000 0.926 820 K CB -0.435 32.079 32.500 0.023 0.000 0.713 820 K HN 0.527 nan 8.250 nan 0.000 0.444 821 T N 0.762 115.305 114.554 -0.018 0.000 2.684 821 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 821 T C 1.856 176.531 174.700 -0.042 0.000 1.036 821 T CA 1.665 63.752 62.100 -0.021 0.000 1.148 821 T CB -0.228 68.629 68.868 -0.019 0.000 0.863 821 T HN 0.050 nan 8.240 nan 0.000 0.436 822 V N 0.993 120.866 119.914 -0.069 0.000 2.287 822 V HA -0.238 3.881 4.120 -0.001 0.000 0.248 822 V C 2.842 178.825 176.094 -0.186 0.000 1.053 822 V CA 1.581 63.786 62.300 -0.158 0.000 1.027 822 V CB -0.916 30.772 31.823 -0.225 0.000 0.646 822 V HN 0.622 nan 8.190 nan 0.000 0.447 823 C N 0.849 120.066 119.300 -0.138 0.000 2.411 823 C HA -0.074 4.385 4.460 -0.001 0.000 0.279 823 C C 2.850 177.840 174.990 0.001 0.000 1.288 823 C CA 0.854 59.822 59.018 -0.083 0.000 1.764 823 C CB -1.725 25.998 27.740 -0.028 0.000 1.974 823 C HN 0.705 nan 8.230 nan 0.000 0.498 824 G N -0.006 108.801 108.800 0.013 0.000 2.464 824 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.217 824 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.217 824 G C 1.568 176.471 174.900 0.005 0.000 1.138 824 G CA 1.030 46.160 45.100 0.050 0.000 0.793 824 G HN 0.423 nan 8.290 nan 0.000 0.539 825 V N 0.615 120.506 119.914 -0.037 0.000 2.379 825 V HA -0.124 3.996 4.120 -0.001 0.000 0.245 825 V C 2.916 179.006 176.094 -0.007 0.000 1.044 825 V CA 1.248 63.533 62.300 -0.026 0.000 1.036 825 V CB -0.309 31.472 31.823 -0.071 0.000 0.664 825 V HN 0.226 nan 8.190 nan 0.000 0.453 826 V N 1.228 121.095 119.914 -0.078 0.000 2.270 826 V HA -0.205 3.914 4.120 -0.001 0.000 0.245 826 V C 2.754 178.859 176.094 0.018 0.000 1.043 826 V CA 2.291 64.575 62.300 -0.026 0.000 1.014 826 V CB -0.865 30.893 31.823 -0.107 0.000 0.645 826 V HN 0.738 nan 8.190 nan 0.000 0.447 827 S N 0.012 115.718 115.700 0.010 0.000 2.419 827 S HA -0.250 4.219 4.470 -0.001 0.000 0.233 827 S C 1.982 176.511 174.600 -0.119 0.000 1.016 827 S CA 1.719 59.901 58.200 -0.029 0.000 0.974 827 S CB -0.382 62.791 63.200 -0.045 0.000 0.786 827 S HN 0.624 nan 8.310 nan 0.000 0.492 828 K N 1.381 121.737 120.400 -0.074 0.000 2.031 828 K HA 0.010 4.330 4.320 -0.001 0.000 0.205 828 K C 2.603 179.129 176.600 -0.124 0.000 1.049 828 K CA 0.539 56.756 56.287 -0.116 0.000 0.939 828 K CB -0.255 32.209 32.500 -0.061 0.000 0.717 828 K HN 0.228 nan 8.250 nan 0.000 0.438 829 R N 0.595 121.073 120.500 -0.038 0.000 2.105 829 R HA -0.140 4.199 4.340 -0.001 0.000 0.239 829 R C 1.989 178.244 176.300 -0.076 0.000 1.135 829 R CA 1.512 57.607 56.100 -0.009 0.000 0.967 829 R CB -0.300 30.064 30.300 0.105 0.000 0.861 829 R HN 0.315 nan 8.270 nan 0.000 0.442 830 A N 0.461 123.224 122.820 -0.095 0.000 1.854 830 A HA -0.023 4.296 4.320 -0.001 0.000 0.214 830 A C 2.342 179.703 177.584 -0.371 0.000 1.192 830 A CA 1.529 53.501 52.037 -0.108 0.000 0.611 830 A CB -0.723 18.334 19.000 0.096 0.000 0.832 830 A HN 0.441 nan 8.150 nan 0.000 0.442 831 A N -0.792 121.560 122.820 -0.780 0.000 2.024 831 A HA -0.203 4.117 4.320 -0.001 0.000 0.220 831 A C 2.112 179.387 177.584 -0.514 0.000 1.164 831 A CA 1.648 52.946 52.037 -1.232 0.000 0.643 831 A CB -0.475 17.891 19.000 -1.056 0.000 0.806 831 A HN 0.677 nan 8.150 nan 0.000 0.451 832 Q N -0.739 118.882 119.800 -0.299 0.000 2.096 832 Q HA 0.035 4.374 4.340 -0.001 0.000 0.197 832 Q C 2.103 178.056 176.000 -0.079 0.000 0.964 832 Q CA 1.036 56.753 55.803 -0.143 0.000 0.838 832 Q CB -0.206 28.477 28.738 -0.091 0.000 0.906 832 Q HN 0.669 nan 8.270 nan 0.000 0.444 833 L N 0.106 121.273 121.223 -0.093 0.000 2.056 833 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 833 L C 2.771 179.625 176.870 -0.027 0.000 1.078 833 L CA 0.712 55.533 54.840 -0.033 0.000 0.749 833 L CB -0.470 41.506 42.059 -0.139 0.000 0.901 833 L HN 0.408 nan 8.230 nan 0.000 0.433 834 C N 0.323 119.558 119.300 -0.109 0.000 2.422 834 C HA -0.086 4.374 4.460 -0.001 0.000 0.279 834 C C 2.802 177.876 174.990 0.140 0.000 1.305 834 C CA 0.911 59.942 59.018 0.021 0.000 1.757 834 C CB -1.255 26.651 27.740 0.276 0.000 1.962 834 C HN 0.631 nan 8.230 nan 0.000 0.499 835 G N -0.234 108.616 108.800 0.083 0.000 2.422 835 G HA2 0.101 4.060 3.960 -0.001 0.000 0.218 835 G HA3 0.101 4.060 3.960 -0.001 0.000 0.218 835 G C 1.931 176.902 174.900 0.119 0.000 1.140 835 G CA 0.955 46.131 45.100 0.127 0.000 0.775 835 G HN 0.732 nan 8.290 nan 0.000 0.545 836 A N 0.985 123.856 122.820 0.087 0.000 1.873 836 A HA 0.223 4.542 4.320 -0.001 0.000 0.215 836 A C 2.689 180.302 177.584 0.048 0.000 1.186 836 A CA 1.968 54.049 52.037 0.073 0.000 0.616 836 A CB -1.083 17.972 19.000 0.091 0.000 0.823 836 A HN 0.450 nan 8.150 nan 0.000 0.442 837 G N -0.536 108.277 108.800 0.021 0.000 2.459 837 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.217 837 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.217 837 G C 1.527 176.537 174.900 0.182 0.000 1.183 837 G CA 1.649 46.673 45.100 -0.127 0.000 0.776 837 G HN 0.422 nan 8.290 nan 0.000 0.552 838 M N 1.720 121.535 119.600 0.358 0.000 2.202 838 M HA 0.113 4.592 4.480 -0.001 0.000 0.262 838 M C 2.540 178.950 176.300 0.184 0.000 1.063 838 M CA 1.342 56.883 55.300 0.401 0.000 1.097 838 M CB -0.490 32.395 32.600 0.475 0.000 1.382 838 M HN 0.250 nan 8.290 nan 0.000 0.413 839 A N -0.582 122.318 122.820 0.134 0.000 1.930 839 A HA 0.126 4.445 4.320 -0.001 0.000 0.217 839 A C 2.359 179.944 177.584 0.002 0.000 1.175 839 A CA 1.766 53.842 52.037 0.065 0.000 0.627 839 A CB -1.289 17.746 19.000 0.059 0.000 0.815 839 A HN 0.610 nan 8.150 nan 0.000 0.443 840 A N -0.467 122.344 122.820 -0.015 0.000 1.902 840 A HA 0.005 4.324 4.320 -0.001 0.000 0.217 840 A C 2.214 179.725 177.584 -0.122 0.000 1.181 840 A CA 1.723 53.714 52.037 -0.075 0.000 0.623 840 A CB -0.948 17.982 19.000 -0.117 0.000 0.818 840 A HN 0.366 nan 8.150 nan 0.000 0.443 841 V N 0.505 120.348 119.914 -0.118 0.000 2.287 841 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 841 V C 2.675 178.604 176.094 -0.276 0.000 1.053 841 V CA 2.176 64.302 62.300 -0.288 0.000 1.027 841 V CB -0.956 30.728 31.823 -0.231 0.000 0.646 841 V HN 0.593 nan 8.190 nan 0.000 0.447 842 V N -1.968 117.857 119.914 -0.149 0.000 2.970 842 V HA -0.154 3.965 4.120 -0.001 0.000 0.260 842 V C 2.101 178.124 176.094 -0.118 0.000 1.100 842 V CA 1.899 64.123 62.300 -0.127 0.000 1.122 842 V CB -0.690 31.081 31.823 -0.085 0.000 0.721 842 V HN 0.624 nan 8.190 nan 0.000 0.483 843 E N 1.115 121.248 120.200 -0.111 0.000 2.028 843 E HA -0.229 4.120 4.350 -0.001 0.000 0.190 843 E C 2.222 178.764 176.600 -0.098 0.000 0.984 843 E CA 1.361 57.706 56.400 -0.091 0.000 0.800 843 E CB -0.056 29.597 29.700 -0.078 0.000 0.758 843 E HN 0.605 nan 8.360 nan 0.000 0.448 844 K N 0.718 121.040 120.400 -0.129 0.000 2.034 844 K HA -0.195 4.124 4.320 -0.001 0.000 0.214 844 K C 2.043 178.595 176.600 -0.079 0.000 1.051 844 K CA 1.881 58.098 56.287 -0.116 0.000 0.931 844 K CB -0.268 32.114 32.500 -0.197 0.000 0.715 844 K HN 0.142 nan 8.250 nan 0.000 0.446 845 I N 0.106 120.613 120.570 -0.105 0.000 2.179 845 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 845 I C 2.724 178.815 176.117 -0.044 0.000 1.088 845 I CA 1.367 62.642 61.300 -0.042 0.000 1.357 845 I CB -0.324 37.650 38.000 -0.043 0.000 1.051 845 I HN 0.263 nan 8.210 nan 0.000 0.409 846 R N 0.959 121.418 120.500 -0.069 0.000 2.105 846 R HA -0.204 4.135 4.340 -0.001 0.000 0.239 846 R C 2.093 178.365 176.300 -0.047 0.000 1.135 846 R CA 1.740 57.798 56.100 -0.069 0.000 0.967 846 R CB -0.047 30.193 30.300 -0.100 0.000 0.861 846 R HN 0.450 nan 8.270 nan 0.000 0.442 847 E N -0.512 119.661 120.200 -0.044 0.000 2.112 847 E HA -0.092 4.258 4.350 -0.001 0.000 0.190 847 E C 1.729 178.318 176.600 -0.018 0.000 0.979 847 E CA 0.635 57.016 56.400 -0.030 0.000 0.814 847 E CB 0.006 29.686 29.700 -0.034 0.000 0.762 847 E HN 0.326 nan 8.360 nan 0.000 0.460 848 N N 0.892 119.584 118.700 -0.012 0.000 2.142 848 N HA -0.105 4.634 4.740 -0.001 0.000 0.186 848 N C 1.678 177.188 175.510 0.000 0.000 1.023 848 N CA 0.922 53.974 53.050 0.003 0.000 0.852 848 N CB -0.067 38.437 38.487 0.028 0.000 0.998 848 N HN -0.055 nan 8.380 nan 0.000 0.424 849 R N -0.080 120.417 120.500 -0.004 0.000 2.236 849 R HA 0.166 4.505 4.340 -0.001 0.000 0.208 849 R C 0.640 176.936 176.300 -0.007 0.000 1.036 849 R CA 0.538 56.635 56.100 -0.005 0.000 1.001 849 R CB -0.544 29.752 30.300 -0.008 0.000 0.896 849 R HN 0.281 nan 8.270 nan 0.000 0.464 850 G N 0.648 109.442 108.800 -0.010 0.000 2.324 850 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.292 850 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.292 850 G C -0.363 174.533 174.900 -0.006 0.000 1.079 850 G CA 0.029 45.124 45.100 -0.008 0.000 1.026 850 G HN 0.182 nan 8.290 nan 0.000 0.506 851 L N -0.771 120.445 121.223 -0.012 0.000 2.352 851 L HA 0.572 4.911 4.340 -0.001 0.000 0.269 851 L C 1.098 177.967 176.870 -0.002 0.000 1.034 851 L CA -0.988 53.849 54.840 -0.006 0.000 0.806 851 L CB 1.158 43.208 42.059 -0.016 0.000 1.244 851 L HN 0.061 nan 8.230 nan 0.000 0.447 852 D N -1.572 118.842 120.400 0.023 0.000 2.277 852 D HA 0.027 4.666 4.640 -0.001 0.000 0.209 852 D C -0.079 176.272 176.300 0.086 0.000 0.970 852 D CA 1.133 55.159 54.000 0.044 0.000 0.874 852 D CB 0.389 41.220 40.800 0.051 0.000 0.982 852 D HN 0.229 nan 8.370 nan 0.000 0.504 853 H N -0.120 118.948 119.070 -0.003 0.000 3.149 853 H HA 0.254 4.809 4.556 -0.002 0.000 0.334 853 H C -1.625 173.700 175.328 -0.005 0.000 1.000 853 H CA -0.773 55.273 56.048 -0.002 0.000 1.415 853 H CB 0.958 30.720 29.762 -0.000 0.000 1.819 853 H HN -0.050 nan 8.280 nan 0.000 0.486 854 L N 5.133 126.140 121.223 -0.360 0.000 2.307 854 L HA 0.428 4.767 4.340 -0.001 0.000 0.282 854 L C -1.027 175.770 176.870 -0.121 0.000 1.051 854 L CA -0.281 54.458 54.840 -0.169 0.000 0.804 854 L CB 0.950 42.915 42.059 -0.157 0.000 1.197 854 L HN 0.505 nan 8.230 nan 0.000 0.431 855 N N 4.357 123.055 118.700 -0.004 0.000 2.399 855 N HA 0.671 5.410 4.740 -0.001 0.000 0.284 855 N C -1.406 174.096 175.510 -0.014 0.000 1.025 855 N CA -0.390 52.676 53.050 0.028 0.000 0.885 855 N CB 2.321 40.853 38.487 0.075 0.000 1.339 855 N HN 0.482 nan 8.380 nan 0.000 0.487 856 V N 0.806 120.696 119.914 -0.040 0.000 3.147 856 V HA 0.652 4.771 4.120 -0.001 0.000 0.306 856 V C -0.918 175.115 176.094 -0.102 0.000 1.209 856 V CA -0.375 61.886 62.300 -0.066 0.000 1.023 856 V CB 2.453 34.228 31.823 -0.080 0.000 1.059 856 V HN 0.721 nan 8.190 nan 0.000 0.435 857 T N 3.545 118.033 114.554 -0.110 0.000 2.895 857 T HA 0.730 5.079 4.350 -0.001 0.000 0.283 857 T C -0.874 173.696 174.700 -0.217 0.000 1.014 857 T CA -0.432 61.579 62.100 -0.148 0.000 1.037 857 T CB 1.680 70.501 68.868 -0.080 0.000 1.006 857 T HN 0.571 nan 8.240 nan 0.000 0.468 858 V N 1.556 121.267 119.914 -0.338 0.000 2.540 858 V HA 0.682 4.802 4.120 -0.001 0.000 0.302 858 V C 0.606 176.572 176.094 -0.214 0.000 1.035 858 V CA -0.934 61.143 62.300 -0.372 0.000 0.873 858 V CB 1.853 33.212 31.823 -0.774 0.000 0.992 858 V HN 1.074 nan 8.190 nan 0.000 0.428 859 G N 3.510 112.228 108.800 -0.137 0.000 2.339 859 G HA2 0.583 4.542 3.960 -0.001 0.000 0.287 859 G HA3 0.583 4.542 3.960 -0.001 0.000 0.287 859 G C -0.705 174.139 174.900 -0.094 0.000 1.163 859 G CA -0.242 44.810 45.100 -0.080 0.000 0.872 859 G HN 0.654 nan 8.290 nan 0.000 0.464 860 V N 1.767 121.628 119.914 -0.089 0.000 2.823 860 V HA 0.739 4.858 4.120 -0.001 0.000 0.312 860 V C -0.793 175.197 176.094 -0.174 0.000 1.072 860 V CA -1.008 61.164 62.300 -0.213 0.000 0.937 860 V CB 2.168 33.679 31.823 -0.520 0.000 1.013 860 V HN 0.708 nan 8.190 nan 0.000 0.430 861 D N 0.379 120.668 120.400 -0.185 0.000 2.623 861 D HA 0.683 5.322 4.640 -0.001 0.000 0.241 861 D C -0.508 175.753 176.300 -0.066 0.000 1.241 861 D CA 0.743 54.696 54.000 -0.078 0.000 0.788 861 D CB 2.434 43.201 40.800 -0.055 0.000 1.413 861 D HN 1.232 nan 8.370 nan 0.000 0.429 862 G N 0.014 108.809 108.800 -0.009 0.000 2.521 862 G HA2 0.098 4.057 3.960 -0.001 0.000 0.589 862 G HA3 0.098 4.057 3.960 -0.001 0.000 0.589 862 G C 0.759 175.672 174.900 0.021 0.000 1.501 862 G CA 0.374 45.468 45.100 -0.010 0.000 0.887 862 G HN 0.493 nan 8.290 nan 0.000 0.654 863 T N 0.710 115.258 114.554 -0.010 0.000 2.665 863 T HA -0.215 4.135 4.350 -0.001 0.000 0.268 863 T C 2.444 177.129 174.700 -0.025 0.000 1.035 863 T CA 2.033 64.123 62.100 -0.018 0.000 1.151 863 T CB -0.183 68.661 68.868 -0.039 0.000 0.862 863 T HN 1.062 nan 8.240 nan 0.000 0.438 864 L N 0.232 121.419 121.223 -0.059 0.000 1.989 864 L HA 0.005 4.344 4.340 -0.001 0.000 0.211 864 L C 2.410 179.199 176.870 -0.135 0.000 1.071 864 L CA 1.696 56.473 54.840 -0.105 0.000 0.749 864 L CB -1.229 40.707 42.059 -0.206 0.000 0.890 864 L HN 0.375 nan 8.230 nan 0.000 0.431 865 Y N 0.171 120.293 120.300 -0.296 0.000 2.165 865 Y HA -0.289 4.259 4.550 -0.002 0.000 0.286 865 Y C 2.488 178.349 175.900 -0.065 0.000 1.155 865 Y CA 2.197 60.161 58.100 -0.227 0.000 1.164 865 Y CB -0.066 38.306 38.460 -0.146 0.000 0.978 865 Y HN 0.196 nan 8.280 nan 0.000 0.513 866 K N -0.434 120.023 120.400 0.095 0.000 2.103 866 K HA -0.063 4.256 4.320 -0.001 0.000 0.204 866 K C 1.881 178.464 176.600 -0.030 0.000 1.052 866 K CA 1.519 57.835 56.287 0.048 0.000 0.945 866 K CB -0.066 32.481 32.500 0.080 0.000 0.722 866 K HN 0.342 nan 8.250 nan 0.000 0.443 867 L N -0.592 120.611 121.223 -0.034 0.000 2.221 867 L HA 0.019 4.358 4.340 -0.001 0.000 0.202 867 L C 1.336 178.160 176.870 -0.078 0.000 1.074 867 L CA -0.041 54.766 54.840 -0.056 0.000 0.795 867 L CB -0.296 41.727 42.059 -0.059 0.000 0.960 867 L HN 0.272 nan 8.230 nan 0.000 0.458 868 H N 2.053 121.053 119.070 -0.117 0.000 3.064 868 H HA -0.026 4.529 4.556 -0.001 0.000 0.329 868 H C -1.684 173.532 175.328 -0.185 0.000 1.020 868 H CA -0.798 55.180 56.048 -0.116 0.000 1.402 868 H CB 1.510 31.250 29.762 -0.038 0.000 1.379 868 H HN -0.062 nan 8.280 nan 0.000 0.594 869 P HA -0.057 nan 4.420 nan 0.000 0.225 869 P C 0.599 177.708 177.300 -0.318 0.000 1.156 869 P CA 1.172 63.998 63.100 -0.455 0.000 0.787 869 P CB 0.501 31.721 31.700 -0.800 0.000 0.802 870 H N -3.113 116.135 119.070 0.296 0.000 2.426 870 H HA 0.174 4.729 4.556 -0.001 0.000 0.286 870 H C 1.669 177.016 175.328 0.032 0.000 0.990 870 H CA -0.239 55.895 56.048 0.143 0.000 1.237 870 H CB -1.098 28.747 29.762 0.139 0.000 1.466 870 H HN -0.069 nan 8.280 nan 0.000 0.525 871 F N 3.047 122.983 119.950 -0.023 0.000 2.138 871 F HA -0.434 4.093 4.527 0.000 0.000 0.290 871 F C 2.670 178.321 175.800 -0.248 0.000 1.133 871 F CA 2.886 60.759 58.000 -0.212 0.000 1.280 871 F CB -0.652 38.174 39.000 -0.290 0.000 0.924 871 F HN 0.226 nan 8.300 nan 0.000 0.528 872 S N 0.310 115.986 115.700 -0.040 0.000 2.365 872 S HA -0.323 4.146 4.470 -0.001 0.000 0.225 872 S C 2.199 176.324 174.600 -0.792 0.000 1.039 872 S CA 1.502 59.396 58.200 -0.510 0.000 1.033 872 S CB -0.939 61.688 63.200 -0.953 0.000 0.887 872 S HN 0.557 nan 8.310 nan 0.000 0.447 873 R N 1.162 121.381 120.500 -0.469 0.000 2.070 873 R HA -0.016 4.323 4.340 -0.001 0.000 0.233 873 R C 2.394 178.571 176.300 -0.204 0.000 1.137 873 R CA 1.828 57.739 56.100 -0.315 0.000 0.945 873 R CB -0.558 29.672 30.300 -0.118 0.000 0.845 873 R HN 0.531 nan 8.270 nan 0.000 0.430 874 I N 0.641 121.105 120.570 -0.177 0.000 2.179 874 I HA -0.327 3.842 4.170 -0.001 0.000 0.242 874 I C 2.814 178.841 176.117 -0.150 0.000 1.088 874 I CA 1.145 62.355 61.300 -0.150 0.000 1.357 874 I CB -0.315 37.574 38.000 -0.186 0.000 1.051 874 I HN 0.307 nan 8.210 nan 0.000 0.409 875 M N 0.469 119.934 119.600 -0.226 0.000 2.108 875 M HA -0.263 4.216 4.480 -0.001 0.000 0.261 875 M C 2.355 178.676 176.300 0.034 0.000 1.066 875 M CA 2.157 57.384 55.300 -0.123 0.000 1.107 875 M CB -0.812 31.731 32.600 -0.094 0.000 1.356 875 M HN 0.361 nan 8.290 nan 0.000 0.406 876 H N -0.524 118.448 119.070 -0.163 0.000 2.353 876 H HA -0.169 4.385 4.556 -0.002 0.000 0.300 876 H C 2.336 177.661 175.328 -0.006 0.000 1.090 876 H CA 1.651 57.616 56.048 -0.139 0.000 1.327 876 H CB -0.183 29.481 29.762 -0.163 0.000 1.383 876 H HN 0.638 nan 8.280 nan 0.000 0.508 877 Q N 1.016 120.877 119.800 0.102 0.000 2.050 877 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 877 Q C 2.380 178.414 176.000 0.057 0.000 0.980 877 Q CA 1.966 57.808 55.803 0.065 0.000 0.840 877 Q CB -1.418 27.333 28.738 0.020 0.000 0.898 877 Q HN 0.495 nan 8.270 nan 0.000 0.424 878 T N 0.468 115.044 114.554 0.037 0.000 2.684 878 T HA -0.155 4.195 4.350 -0.001 0.000 0.267 878 T C 2.060 176.804 174.700 0.072 0.000 1.036 878 T CA 1.629 63.751 62.100 0.036 0.000 1.148 878 T CB -0.520 68.353 68.868 0.009 0.000 0.863 878 T HN 0.350 nan 8.240 nan 0.000 0.436 879 V N 1.615 121.601 119.914 0.119 0.000 2.332 879 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 879 V C 2.528 178.691 176.094 0.115 0.000 1.055 879 V CA 1.825 64.214 62.300 0.148 0.000 1.038 879 V CB -0.566 31.414 31.823 0.262 0.000 0.651 879 V HN 0.472 nan 8.190 nan 0.000 0.450 880 K N 0.659 121.129 120.400 0.116 0.000 2.002 880 K HA -0.249 4.070 4.320 -0.001 0.000 0.209 880 K C 2.227 178.868 176.600 0.068 0.000 1.048 880 K CA 2.040 58.384 56.287 0.095 0.000 0.930 880 K CB -0.202 32.356 32.500 0.097 0.000 0.714 880 K HN 0.752 nan 8.250 nan 0.000 0.438 881 E N 0.509 120.743 120.200 0.056 0.000 2.208 881 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 881 E C 2.015 178.636 176.600 0.035 0.000 0.988 881 E CA 0.726 57.150 56.400 0.040 0.000 0.828 881 E CB -0.172 29.545 29.700 0.029 0.000 0.763 881 E HN 0.335 nan 8.360 nan 0.000 0.478 882 L N 0.649 121.895 121.223 0.039 0.000 2.179 882 L HA 0.065 4.404 4.340 -0.001 0.000 0.208 882 L C 0.600 177.485 176.870 0.024 0.000 1.096 882 L CA 0.446 55.304 54.840 0.030 0.000 0.779 882 L CB 0.188 42.268 42.059 0.035 0.000 0.922 882 L HN -0.009 nan 8.230 nan 0.000 0.443 883 S N -0.499 115.218 115.700 0.030 0.000 2.542 883 S HA 0.284 4.753 4.470 -0.001 0.000 0.245 883 S C -1.947 172.665 174.600 0.020 0.000 1.325 883 S CA -0.822 57.385 58.200 0.012 0.000 1.176 883 S CB 1.614 64.813 63.200 -0.002 0.000 1.045 883 S HN -0.061 nan 8.310 nan 0.000 0.481 884 P HA 0.008 nan 4.420 nan 0.000 0.222 884 P C 1.175 178.528 177.300 0.088 0.000 1.153 884 P CA 0.504 63.641 63.100 0.061 0.000 0.798 884 P CB 0.220 31.951 31.700 0.052 0.000 0.796 885 K N -1.258 119.146 120.400 0.006 0.000 2.522 885 K HA 0.126 4.446 4.320 -0.001 0.000 0.194 885 K C 0.209 176.489 176.600 -0.532 0.000 1.026 885 K CA 0.140 56.372 56.287 -0.092 0.000 1.119 885 K CB -1.489 30.968 32.500 -0.071 0.000 0.856 885 K HN 0.260 nan 8.250 nan 0.000 0.513 886 C N -1.080 118.041 119.300 -0.298 0.000 2.898 886 C HA 0.576 5.035 4.460 -0.001 0.000 0.304 886 C C 0.120 175.107 174.990 -0.004 0.000 1.237 886 C CA -0.941 57.905 59.018 -0.287 0.000 1.529 886 C CB 2.137 29.789 27.740 -0.146 0.000 2.021 886 C HN 0.276 nan 8.230 nan 0.000 0.474 887 T N 1.901 116.495 114.554 0.066 0.000 3.241 887 T HA 0.326 4.676 4.350 -0.001 0.000 0.387 887 T C -0.170 174.564 174.700 0.056 0.000 1.451 887 T CA -0.179 61.998 62.100 0.128 0.000 1.363 887 T CB 0.283 69.270 68.868 0.197 0.000 1.074 887 T HN 0.467 nan 8.240 nan 0.000 0.598 888 V N 2.491 122.429 119.914 0.041 0.000 2.614 888 V HA 0.396 4.516 4.120 -0.001 0.000 0.291 888 V C 0.541 176.642 176.094 0.011 0.000 1.049 888 V CA -0.314 61.970 62.300 -0.026 0.000 1.038 888 V CB 1.242 33.041 31.823 -0.040 0.000 0.980 888 V HN 0.769 nan 8.190 nan 0.000 0.481 889 S N 3.937 119.590 115.700 -0.078 0.000 2.482 889 S HA 0.736 5.206 4.470 -0.001 0.000 0.303 889 S C -0.878 173.668 174.600 -0.089 0.000 1.091 889 S CA -0.340 57.862 58.200 0.003 0.000 1.057 889 S CB 1.104 64.306 63.200 0.002 0.000 1.031 889 S HN 0.430 nan 8.310 nan 0.000 0.485 890 F N 2.045 121.933 119.950 -0.103 0.000 2.436 890 F HA 0.615 5.140 4.527 -0.003 0.000 0.340 890 F C -0.300 175.513 175.800 0.021 0.000 1.113 890 F CA -0.855 57.109 58.000 -0.059 0.000 1.022 890 F CB 1.219 40.158 39.000 -0.102 0.000 1.128 890 F HN 0.288 nan 8.300 nan 0.000 0.466 891 L N 4.448 125.764 121.223 0.156 0.000 2.356 891 L HA 0.557 4.896 4.340 -0.001 0.000 0.277 891 L C -1.211 175.732 176.870 0.123 0.000 0.996 891 L CA -0.775 54.137 54.840 0.120 0.000 0.822 891 L CB 1.537 43.626 42.059 0.050 0.000 1.256 891 L HN 0.527 nan 8.230 nan 0.000 0.413 892 L N 3.548 124.863 121.223 0.153 0.000 2.319 892 L HA 0.428 4.767 4.340 -0.001 0.000 0.280 892 L C 0.248 177.164 176.870 0.077 0.000 1.099 892 L CA 0.572 55.496 54.840 0.141 0.000 0.828 892 L CB 1.356 43.533 42.059 0.197 0.000 1.150 892 L HN 0.693 nan 8.230 nan 0.000 0.442 893 S N 3.572 119.296 115.700 0.041 0.000 2.422 893 S HA 0.203 4.672 4.470 -0.001 0.000 0.283 893 S C 0.736 175.350 174.600 0.022 0.000 1.163 893 S CA -0.199 58.010 58.200 0.016 0.000 1.054 893 S CB 0.161 63.353 63.200 -0.013 0.000 0.967 893 S HN 0.863 nan 8.310 nan 0.000 0.499 894 E N 2.656 122.869 120.200 0.020 0.000 2.476 894 E HA 0.066 4.415 4.350 -0.001 0.000 0.199 894 E C 0.041 176.640 176.600 -0.002 0.000 1.021 894 E CA 0.110 56.520 56.400 0.016 0.000 0.907 894 E CB 0.367 30.081 29.700 0.024 0.000 0.974 894 E HN 0.632 nan 8.360 nan 0.000 0.489 895 D N 0.042 120.432 120.400 -0.016 0.000 2.398 895 D HA 0.155 4.794 4.640 -0.001 0.000 0.210 895 D C 0.703 176.981 176.300 -0.036 0.000 1.094 895 D CA 0.506 54.486 54.000 -0.034 0.000 0.839 895 D CB 0.925 41.691 40.800 -0.057 0.000 0.963 895 D HN 0.182 nan 8.370 nan 0.000 0.506 896 G N 0.577 109.360 108.800 -0.028 0.000 2.828 896 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.463 896 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.463 896 G C 0.871 175.749 174.900 -0.036 0.000 1.394 896 G CA -0.076 45.007 45.100 -0.029 0.000 0.862 896 G HN 0.056 nan 8.290 nan 0.000 0.540 897 S N 0.426 116.106 115.700 -0.032 0.000 2.453 897 S HA 0.048 4.518 4.470 -0.001 0.000 0.231 897 S C 2.634 177.217 174.600 -0.029 0.000 1.005 897 S CA 1.882 60.062 58.200 -0.034 0.000 0.949 897 S CB -0.401 62.781 63.200 -0.030 0.000 0.774 897 S HN 1.607 nan 8.310 nan 0.000 0.510 898 G N 2.430 111.216 108.800 -0.023 0.000 2.491 898 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.218 898 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.218 898 G C 1.310 176.185 174.900 -0.042 0.000 1.180 898 G CA 1.196 46.286 45.100 -0.017 0.000 0.774 898 G HN 0.473 nan 8.290 nan 0.000 0.562 899 K N 0.492 120.849 120.400 -0.072 0.000 2.044 899 K HA -0.086 4.233 4.320 -0.001 0.000 0.210 899 K C 2.644 179.163 176.600 -0.135 0.000 1.049 899 K CA 1.678 57.889 56.287 -0.125 0.000 0.927 899 K CB -0.735 31.658 32.500 -0.179 0.000 0.713 899 K HN 0.262 nan 8.250 nan 0.000 0.443 900 G N 0.314 109.054 108.800 -0.100 0.000 2.418 900 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.217 900 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.217 900 G C 1.558 176.413 174.900 -0.076 0.000 1.158 900 G CA 0.890 45.943 45.100 -0.079 0.000 0.771 900 G HN 0.454 nan 8.290 nan 0.000 0.545 901 A N 0.774 123.560 122.820 -0.056 0.000 2.067 901 A HA 0.376 4.695 4.320 -0.001 0.000 0.219 901 A C 2.665 180.195 177.584 -0.089 0.000 1.158 901 A CA 1.961 53.976 52.037 -0.036 0.000 0.661 901 A CB -0.409 18.601 19.000 0.016 0.000 0.801 901 A HN 0.652 nan 8.150 nan 0.000 0.452 902 A N -0.226 122.510 122.820 -0.140 0.000 1.898 902 A HA 0.123 4.443 4.320 -0.001 0.000 0.214 902 A C 2.036 179.311 177.584 -0.516 0.000 1.183 902 A CA 1.109 52.968 52.037 -0.297 0.000 0.622 902 A CB -0.498 18.405 19.000 -0.162 0.000 0.824 902 A HN 0.428 nan 8.150 nan 0.000 0.444 903 L N -0.363 120.687 121.223 -0.289 0.000 2.131 903 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 903 L C 2.328 179.086 176.870 -0.186 0.000 1.092 903 L CA 0.966 55.680 54.840 -0.210 0.000 0.759 903 L CB -0.433 41.585 42.059 -0.068 0.000 0.903 903 L HN 0.378 nan 8.230 nan 0.000 0.435 904 I N -0.867 119.608 120.570 -0.158 0.000 2.286 904 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 904 I C 2.386 178.435 176.117 -0.114 0.000 1.104 904 I CA 1.213 62.457 61.300 -0.092 0.000 1.397 904 I CB -0.339 37.633 38.000 -0.047 0.000 1.072 904 I HN 0.206 nan 8.210 nan 0.000 0.417 905 T N 0.911 115.340 114.554 -0.208 0.000 2.867 905 T HA -0.106 4.243 4.350 -0.001 0.000 0.268 905 T C 2.071 176.658 174.700 -0.188 0.000 1.057 905 T CA 1.223 63.222 62.100 -0.168 0.000 1.136 905 T CB -0.252 68.516 68.868 -0.168 0.000 0.874 905 T HN 0.443 nan 8.240 nan 0.000 0.466 906 A N 1.014 123.533 122.820 -0.503 0.000 1.883 906 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 906 A C 2.571 180.189 177.584 0.058 0.000 1.186 906 A CA 1.495 53.438 52.037 -0.157 0.000 0.624 906 A CB -1.069 17.827 19.000 -0.173 0.000 0.822 906 A HN 0.358 nan 8.150 nan 0.000 0.444 907 V N -0.388 119.526 119.914 -0.001 0.000 2.548 907 V HA -0.095 4.024 4.120 -0.001 0.000 0.249 907 V C 2.674 178.796 176.094 0.046 0.000 1.055 907 V CA 1.753 64.073 62.300 0.033 0.000 1.065 907 V CB -0.914 30.919 31.823 0.018 0.000 0.681 907 V HN 0.639 nan 8.190 nan 0.000 0.462 908 G N -1.129 107.695 108.800 0.041 0.000 2.448 908 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.218 908 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.218 908 G C 1.554 176.498 174.900 0.074 0.000 1.135 908 G CA 0.929 46.060 45.100 0.052 0.000 0.784 908 G HN 0.391 nan 8.290 nan 0.000 0.543 909 V N 0.642 120.624 119.914 0.114 0.000 3.573 909 V HA 0.207 4.326 4.120 -0.001 0.000 0.270 909 V C 2.956 179.112 176.094 0.104 0.000 1.221 909 V CA 1.819 64.201 62.300 0.138 0.000 1.163 909 V CB -0.261 31.706 31.823 0.240 0.000 0.847 909 V HN 0.482 nan 8.190 nan 0.000 0.468 910 R N 0.068 120.619 120.500 0.084 0.000 2.112 910 R HA 0.333 4.672 4.340 -0.001 0.000 0.216 910 R C 1.155 177.482 176.300 0.044 0.000 1.080 910 R CA 1.100 57.238 56.100 0.063 0.000 0.996 910 R CB -0.694 29.641 30.300 0.058 0.000 0.902 910 R HN 0.632 nan 8.270 nan 0.000 0.449 911 L N 0.000 121.247 121.223 0.040 0.000 2.949 911 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 911 L CA 0.000 54.855 54.840 0.024 0.000 0.813 911 L CB 0.000 42.069 42.059 0.017 0.000 0.961 911 L HN 0.000 nan 8.230 nan 0.000 0.502