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 1eqr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRTEYCGQLR LSHVGQQVTL CGWVNRRRDL GSLIFIDMRD REGIVQVFFD DATA SEQUENCE PDRADALKLA SELRNEFCIQ VTGTVRARDE KNINRDMATG EIEVLASSLT DATA SEQUENCE IINRADVLPL DSNHVNTEEA RLKYRYLDLR RPEMAQRLKT RAKITSLVRR DATA SEQUENCE FMDDHGFLDI ETPMLTKATP EGARDYLVPS RVHKGKFYAL PQSPQLFKQL DATA SEQUENCE LMMSGFDRYY QIVKCFRDED LRADRQPEFT QIDVETSFMT APQVREVMEA DATA SEQUENCE LVRHLWLEVK GVDLGDFPVM TFAEAERRYG SDKPDLRNPM ELTDVADLLK DATA SEQUENCE SVEFAVFAGP ANDPKGRVAA LRVPGGASLT RKQIDEYGNF VKIYGAKGLA DATA SEQUENCE YIKVNERAKG LEGINSPVAK FLNAEIIEDI LDRTAAQDGD MIFFGADNKK DATA SEQUENCE IVADAMGALR LKVGKDLGLT DESKWAPLWV IDFPMFEDDG EGGLTAMHHP DATA SEQUENCE FTSPKDMTAA ELKAAPENAV ANAYDMVING YEVGGGSVRI HNGDMQQTVF DATA SEQUENCE GILGINEEEQ REKFGFLLDA LKYGTPPHAG LAFGLDRLTM LLTGTDNIRD DATA SEQUENCE VIAFPKTTAA ACLMTEAPSF ANPTALAELS IQVVKKAENN 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 0.000 176.248 176.300 -0.086 0.000 1.140 1 M CA 0.000 55.261 55.300 -0.065 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.046 0.000 1.302 2 R N -0.152 120.273 120.500 -0.124 0.000 2.801 2 R HA 0.531 4.922 4.340 0.085 0.000 0.273 2 R C -0.153 176.065 176.300 -0.137 0.000 1.080 2 R CA -0.025 55.979 56.100 -0.161 0.000 1.197 2 R CB 0.339 30.473 30.300 -0.276 0.000 1.109 2 R HN 0.530 nan 8.270 nan 0.000 0.535 3 T N -0.833 113.644 114.554 -0.129 0.000 2.958 3 T HA 0.187 4.588 4.350 0.085 0.000 0.256 3 T C -0.715 173.938 174.700 -0.079 0.000 0.983 3 T CA 0.195 62.248 62.100 -0.079 0.000 0.924 3 T CB 0.212 69.050 68.868 -0.049 0.000 1.136 3 T HN 0.675 nan 8.240 nan 0.000 0.506 4 E N -0.715 119.399 120.200 -0.142 0.000 2.416 4 E HA 0.414 4.815 4.350 0.085 0.000 0.280 4 E C -2.025 174.442 176.600 -0.221 0.000 1.055 4 E CA -0.693 55.638 56.400 -0.114 0.000 0.825 4 E CB 1.504 31.176 29.700 -0.046 0.000 1.312 4 E HN 0.099 nan 8.360 nan 0.000 0.452 5 Y N 0.657 120.951 120.300 -0.011 0.000 2.313 5 Y HA 0.149 4.751 4.550 0.086 0.000 0.332 5 Y C 1.166 177.053 175.900 -0.022 0.000 1.071 5 Y CA -0.508 57.593 58.100 0.001 0.000 1.169 5 Y CB 0.774 39.244 38.460 0.017 0.000 1.192 5 Y HN 0.685 nan 8.280 nan 0.000 0.487 6 C N 1.562 120.944 119.300 0.136 0.000 2.385 6 C HA -0.261 4.250 4.460 0.085 0.000 0.275 6 C C 2.606 177.632 174.990 0.060 0.000 1.199 6 C CA 1.926 60.990 59.018 0.076 0.000 1.782 6 C CB -1.334 26.467 27.740 0.102 0.000 2.068 6 C HN 1.194 nan 8.230 nan 0.000 0.471 7 G N -0.283 108.573 108.800 0.094 0.000 2.813 7 G HA2 -0.059 3.953 3.960 0.085 0.000 0.209 7 G HA3 -0.059 3.953 3.960 0.085 0.000 0.209 7 G C 1.553 176.469 174.900 0.027 0.000 1.150 7 G CA 0.659 45.790 45.100 0.051 0.000 0.785 7 G HN 0.833 nan 8.290 nan 0.000 0.535 8 Q N -0.052 119.766 119.800 0.029 0.000 2.250 8 Q HA 0.195 4.586 4.340 0.085 0.000 0.200 8 Q C 0.823 176.773 176.000 -0.083 0.000 0.941 8 Q CA -0.190 55.620 55.803 0.011 0.000 0.872 8 Q CB -0.453 28.326 28.738 0.068 0.000 0.965 8 Q HN 0.296 nan 8.270 nan 0.000 0.480 9 L N 2.923 124.005 121.223 -0.236 0.000 2.640 9 L HA -0.033 4.358 4.340 0.085 0.000 0.280 9 L C 0.426 177.236 176.870 -0.101 0.000 1.229 9 L CA 0.333 54.911 54.840 -0.436 0.000 0.919 9 L CB -0.104 41.787 42.059 -0.281 0.000 1.168 9 L HN 0.245 nan 8.230 nan 0.000 0.496 10 R N 2.072 122.642 120.500 0.117 0.000 2.987 10 R HA 0.306 4.698 4.340 0.085 0.000 0.248 10 R C 0.634 177.046 176.300 0.186 0.000 1.264 10 R CA -1.042 55.153 56.100 0.158 0.000 1.026 10 R CB 0.256 30.655 30.300 0.164 0.000 1.286 10 R HN 0.299 nan 8.270 nan 0.000 0.483 11 L N 1.717 123.006 121.223 0.111 0.000 2.079 11 L HA -0.188 4.203 4.340 0.085 0.000 0.210 11 L C 2.152 179.073 176.870 0.084 0.000 1.081 11 L CA 2.344 57.234 54.840 0.083 0.000 0.752 11 L CB -0.961 41.128 42.059 0.050 0.000 0.896 11 L HN 0.842 nan 8.230 nan 0.000 0.433 12 S N -2.096 113.648 115.700 0.074 0.000 2.440 12 S HA -0.254 4.267 4.470 0.085 0.000 0.240 12 S C 1.684 176.235 174.600 -0.082 0.000 1.014 12 S CA 1.482 59.670 58.200 -0.019 0.000 0.980 12 S CB -0.876 62.279 63.200 -0.075 0.000 0.775 12 S HN 0.639 nan 8.310 nan 0.000 0.499 13 H N 0.254 119.333 119.070 0.015 0.000 2.553 13 H HA 0.414 5.021 4.556 0.085 0.000 0.265 13 H C 0.208 175.542 175.328 0.011 0.000 0.964 13 H CA -0.015 56.041 56.048 0.013 0.000 1.156 13 H CB -0.091 29.681 29.762 0.016 0.000 1.411 13 H HN 0.195 nan 8.280 nan 0.000 0.558 14 V N 1.176 121.158 119.914 0.113 0.000 2.539 14 V HA 0.081 4.252 4.120 0.085 0.000 0.300 14 V C 1.484 177.607 176.094 0.048 0.000 1.019 14 V CA 1.733 64.076 62.300 0.071 0.000 1.160 14 V CB 0.077 31.930 31.823 0.050 0.000 0.901 14 V HN 0.875 nan 8.190 nan 0.000 0.481 15 G N 3.610 112.436 108.800 0.044 0.000 2.391 15 G HA2 -0.152 3.859 3.960 0.085 0.000 0.204 15 G HA3 -0.152 3.859 3.960 0.085 0.000 0.204 15 G C 0.121 175.037 174.900 0.026 0.000 1.012 15 G CA -0.058 45.058 45.100 0.027 0.000 0.651 15 G HN 0.643 nan 8.290 nan 0.000 0.494 16 Q N 0.824 120.649 119.800 0.042 0.000 2.354 16 Q HA 0.535 4.926 4.340 0.085 0.000 0.244 16 Q C 0.045 176.058 176.000 0.023 0.000 0.969 16 Q CA -0.002 55.822 55.803 0.037 0.000 0.885 16 Q CB 0.917 29.693 28.738 0.063 0.000 1.241 16 Q HN 0.439 nan 8.270 nan 0.000 0.461 17 Q N 1.624 121.429 119.800 0.008 0.000 2.274 17 Q HA 0.417 4.808 4.340 0.085 0.000 0.256 17 Q C -1.112 174.883 176.000 -0.008 0.000 0.927 17 Q CA -0.555 55.243 55.803 -0.009 0.000 0.939 17 Q CB 1.211 29.939 28.738 -0.016 0.000 1.201 17 Q HN 0.560 nan 8.270 nan 0.000 0.426 18 V N 0.641 120.542 119.914 -0.022 0.000 2.960 18 V HA 0.710 4.881 4.120 0.085 0.000 0.315 18 V C -0.552 175.512 176.094 -0.050 0.000 1.087 18 V CA -0.670 61.613 62.300 -0.029 0.000 0.982 18 V CB 2.181 33.985 31.823 -0.031 0.000 1.039 18 V HN 0.679 nan 8.190 nan 0.000 0.437 19 T N 5.033 119.551 114.554 -0.060 0.000 2.809 19 T HA 0.634 5.035 4.350 0.085 0.000 0.296 19 T C -0.382 174.263 174.700 -0.092 0.000 1.015 19 T CA -0.212 61.845 62.100 -0.071 0.000 0.954 19 T CB 0.559 69.387 68.868 -0.067 0.000 0.950 19 T HN 0.634 nan 8.240 nan 0.000 0.450 20 L N 2.320 123.491 121.223 -0.085 0.000 2.334 20 L HA 0.686 5.077 4.340 0.085 0.000 0.275 20 L C -0.246 176.565 176.870 -0.098 0.000 1.036 20 L CA -0.886 53.899 54.840 -0.090 0.000 0.807 20 L CB 1.351 43.375 42.059 -0.057 0.000 1.231 20 L HN 0.589 nan 8.230 nan 0.000 0.438 21 C N 1.592 120.820 119.300 -0.119 0.000 2.626 21 C HA 0.978 5.489 4.460 0.085 0.000 0.310 21 C C 0.570 175.470 174.990 -0.150 0.000 1.191 21 C CA -0.161 58.763 59.018 -0.156 0.000 1.517 21 C CB 1.094 28.733 27.740 -0.168 0.000 2.102 21 C HN 1.083 nan 8.230 nan 0.000 0.479 22 G N 1.391 110.003 108.800 -0.314 0.000 2.368 22 G HA2 0.271 4.283 3.960 0.085 0.000 0.269 22 G HA3 0.271 4.283 3.960 0.085 0.000 0.269 22 G C -2.012 172.610 174.900 -0.463 0.000 1.291 22 G CA -0.539 44.392 45.100 -0.280 0.000 0.903 22 G HN 0.637 nan 8.290 nan 0.000 0.483 23 W N -0.130 121.224 121.300 0.089 0.000 2.781 23 W HA 0.573 5.284 4.660 0.085 0.000 0.345 23 W C -0.248 176.331 176.519 0.101 0.000 1.085 23 W CA -0.739 56.667 57.345 0.102 0.000 1.198 23 W CB 2.079 31.594 29.460 0.093 0.000 1.423 23 W HN 0.333 nan 8.180 nan 0.000 0.532 24 V N 2.796 122.890 119.914 0.300 0.000 2.415 24 V HA -0.129 4.043 4.120 0.085 0.000 0.267 24 V C 0.809 177.014 176.094 0.186 0.000 1.042 24 V CA 0.568 62.985 62.300 0.194 0.000 1.000 24 V CB 0.543 32.431 31.823 0.108 0.000 1.015 24 V HN 0.567 nan 8.190 nan 0.000 0.478 25 N N 4.711 123.502 118.700 0.151 0.000 2.197 25 N HA 0.044 4.835 4.740 0.085 0.000 0.184 25 N C 0.903 176.452 175.510 0.065 0.000 1.030 25 N CA 0.932 54.046 53.050 0.107 0.000 0.851 25 N CB 0.310 38.853 38.487 0.094 0.000 1.003 25 N HN 0.712 nan 8.380 nan 0.000 0.430 26 R N -0.699 119.839 120.500 0.063 0.000 2.855 26 R HA 0.473 4.864 4.340 0.085 0.000 0.266 26 R C -1.556 174.773 176.300 0.048 0.000 1.034 26 R CA -0.840 55.284 56.100 0.041 0.000 0.944 26 R CB 1.425 31.747 30.300 0.036 0.000 1.219 26 R HN 0.089 nan 8.270 nan 0.000 0.474 27 R N 1.607 122.127 120.500 0.033 0.000 2.584 27 R HA 0.401 4.792 4.340 0.085 0.000 0.276 27 R C -1.681 174.653 176.300 0.056 0.000 1.046 27 R CA -0.765 55.359 56.100 0.042 0.000 0.906 27 R CB 1.653 31.937 30.300 -0.027 0.000 1.215 27 R HN 0.494 nan 8.270 nan 0.000 0.449 28 R N 3.447 124.017 120.500 0.116 0.000 2.510 28 R HA 0.246 4.637 4.340 0.085 0.000 0.294 28 R C -1.672 174.743 176.300 0.193 0.000 1.056 28 R CA -0.537 55.633 56.100 0.117 0.000 0.918 28 R CB 1.475 31.826 30.300 0.085 0.000 1.187 28 R HN 0.736 nan 8.270 nan 0.000 0.437 29 D N 3.373 123.846 120.400 0.122 0.000 2.304 29 D HA 0.211 4.902 4.640 0.085 0.000 0.250 29 D C -0.246 176.148 176.300 0.157 0.000 1.107 29 D CA -0.006 54.073 54.000 0.132 0.000 0.885 29 D CB 1.376 42.212 40.800 0.060 0.000 1.192 29 D HN 0.262 nan 8.370 nan 0.000 0.436 30 L N 2.956 124.310 121.223 0.219 0.000 2.481 30 L HA 0.420 4.811 4.340 0.085 0.000 0.255 30 L C 0.633 177.597 176.870 0.156 0.000 1.192 30 L CA 0.092 55.046 54.840 0.190 0.000 0.924 30 L CB -0.251 41.987 42.059 0.298 0.000 1.179 30 L HN 0.675 nan 8.230 nan 0.000 0.491 31 G N 2.385 111.243 108.800 0.097 0.000 2.523 31 G HA2 -0.321 3.690 3.960 0.085 0.000 0.271 31 G HA3 -0.321 3.690 3.960 0.085 0.000 0.271 31 G C 0.520 175.462 174.900 0.071 0.000 1.146 31 G CA 0.344 45.489 45.100 0.075 0.000 0.961 31 G HN 0.474 nan 8.290 nan 0.000 0.549 32 S N 0.757 116.499 115.700 0.071 0.000 2.575 32 S HA 0.377 4.898 4.470 0.085 0.000 0.215 32 S C 1.023 175.663 174.600 0.067 0.000 0.966 32 S CA 0.058 58.289 58.200 0.053 0.000 0.911 32 S CB -0.090 63.135 63.200 0.042 0.000 0.780 32 S HN 0.466 nan 8.310 nan 0.000 0.514 33 L N 2.290 123.582 121.223 0.116 0.000 2.305 33 L HA 0.447 4.839 4.340 0.085 0.000 0.281 33 L C -0.346 176.570 176.870 0.077 0.000 1.085 33 L CA -0.069 54.856 54.840 0.142 0.000 0.813 33 L CB 0.822 43.026 42.059 0.242 0.000 1.157 33 L HN 0.121 nan 8.230 nan 0.000 0.436 34 I N 3.150 123.715 120.570 -0.010 0.000 2.389 34 I HA 0.333 4.554 4.170 0.085 0.000 0.288 34 I C -0.820 175.290 176.117 -0.012 0.000 0.999 34 I CA -0.326 60.965 61.300 -0.015 0.000 1.129 34 I CB 1.494 39.402 38.000 -0.154 0.000 1.288 34 I HN 0.341 nan 8.210 nan 0.000 0.444 35 F N 6.607 126.694 119.950 0.227 0.000 2.458 35 F HA 0.552 5.130 4.527 0.085 0.000 0.336 35 F C -0.151 175.768 175.800 0.197 0.000 1.114 35 F CA -0.665 57.491 58.000 0.260 0.000 0.987 35 F CB 1.665 40.747 39.000 0.137 0.000 1.130 35 F HN 0.185 nan 8.300 nan 0.000 0.458 36 I N 2.544 123.378 120.570 0.440 0.000 2.545 36 I HA 0.271 4.493 4.170 0.085 0.000 0.292 36 I C -0.950 175.316 176.117 0.248 0.000 1.040 36 I CA -0.728 60.753 61.300 0.301 0.000 1.068 36 I CB 1.759 39.968 38.000 0.349 0.000 1.251 36 I HN 0.365 nan 8.210 nan 0.000 0.424 37 D N 6.869 127.373 120.400 0.173 0.000 2.456 37 D HA 0.306 4.998 4.640 0.085 0.000 0.219 37 D C -0.159 176.224 176.300 0.138 0.000 1.126 37 D CA -0.037 54.044 54.000 0.136 0.000 0.890 37 D CB 0.639 41.498 40.800 0.097 0.000 1.025 37 D HN 0.365 nan 8.370 nan 0.000 0.511 38 M N 2.495 122.180 119.600 0.142 0.000 2.211 38 M HA 0.263 4.794 4.480 0.085 0.000 0.356 38 M C -0.198 176.193 176.300 0.151 0.000 1.216 38 M CA -0.227 55.161 55.300 0.147 0.000 1.134 38 M CB 0.849 33.521 32.600 0.120 0.000 1.564 38 M HN 0.120 nan 8.290 nan 0.000 0.463 39 R N 3.161 123.786 120.500 0.208 0.000 2.740 39 R HA 0.547 4.938 4.340 0.085 0.000 0.282 39 R C -1.950 174.558 176.300 0.347 0.000 0.969 39 R CA -0.521 55.719 56.100 0.233 0.000 0.918 39 R CB 1.488 31.913 30.300 0.209 0.000 1.175 39 R HN 0.893 nan 8.270 nan 0.000 0.464 40 D N 0.985 121.560 120.400 0.292 0.000 2.639 40 D HA 0.086 4.777 4.640 0.085 0.000 0.271 40 D C 0.358 176.789 176.300 0.218 0.000 1.254 40 D CA -0.884 53.336 54.000 0.367 0.000 0.810 40 D CB 0.732 41.779 40.800 0.412 0.000 1.351 40 D HN 0.589 nan 8.370 nan 0.000 0.427 41 R N -0.050 120.553 120.500 0.172 0.000 2.228 41 R HA -0.218 4.173 4.340 0.085 0.000 0.259 41 R C 0.721 177.000 176.300 -0.035 0.000 1.183 41 R CA 1.564 57.675 56.100 0.020 0.000 1.002 41 R CB -0.573 29.701 30.300 -0.044 0.000 0.879 41 R HN 0.352 nan 8.270 nan 0.000 0.467 42 E N 0.511 120.700 120.200 -0.019 0.000 2.371 42 E HA 0.153 4.554 4.350 0.085 0.000 0.194 42 E C 0.993 177.604 176.600 0.018 0.000 1.012 42 E CA 0.999 57.380 56.400 -0.032 0.000 0.860 42 E CB 0.634 30.327 29.700 -0.010 0.000 0.811 42 E HN 0.607 nan 8.360 nan 0.000 0.502 43 G N 0.111 108.944 108.800 0.055 0.000 2.302 43 G HA2 0.010 4.021 3.960 0.085 0.000 0.276 43 G HA3 0.010 4.021 3.960 0.085 0.000 0.276 43 G C -1.212 173.733 174.900 0.074 0.000 1.316 43 G CA -0.747 44.382 45.100 0.048 0.000 0.988 43 G HN 0.017 nan 8.290 nan 0.000 0.479 44 I N 0.258 120.863 120.570 0.057 0.000 2.441 44 I HA 0.652 4.873 4.170 0.085 0.000 0.295 44 I C -0.268 175.883 176.117 0.057 0.000 0.994 44 I CA -1.117 60.224 61.300 0.067 0.000 1.144 44 I CB 1.742 39.777 38.000 0.058 0.000 1.314 44 I HN 0.447 nan 8.210 nan 0.000 0.445 45 V N 6.189 126.143 119.914 0.067 0.000 2.709 45 V HA 0.309 4.481 4.120 0.085 0.000 0.308 45 V C -0.498 175.644 176.094 0.080 0.000 1.062 45 V CA -0.440 61.893 62.300 0.055 0.000 0.901 45 V CB 2.169 34.013 31.823 0.034 0.000 1.003 45 V HN 0.865 nan 8.190 nan 0.000 0.425 46 Q N 4.267 124.118 119.800 0.086 0.000 2.296 46 Q HA 0.546 4.937 4.340 0.085 0.000 0.262 46 Q C -1.495 174.600 176.000 0.158 0.000 0.981 46 Q CA -0.191 55.697 55.803 0.140 0.000 0.905 46 Q CB 1.515 30.332 28.738 0.132 0.000 1.186 46 Q HN 0.635 nan 8.270 nan 0.000 0.399 47 V N 5.836 125.868 119.914 0.197 0.000 2.417 47 V HA 0.360 4.531 4.120 0.085 0.000 0.291 47 V C -0.804 175.381 176.094 0.152 0.000 1.024 47 V CA -0.723 61.626 62.300 0.082 0.000 0.861 47 V CB 1.104 32.914 31.823 -0.021 0.000 0.985 47 V HN 0.731 nan 8.190 nan 0.000 0.436 48 F N 6.438 126.275 119.950 -0.187 0.000 2.415 48 F HA 0.716 5.294 4.527 0.085 0.000 0.348 48 F C -0.983 174.562 175.800 -0.426 0.000 1.119 48 F CA -1.964 55.849 58.000 -0.311 0.000 1.069 48 F CB 1.020 39.918 39.000 -0.170 0.000 1.124 48 F HN 0.322 nan 8.300 nan 0.000 0.472 49 F N 5.407 125.084 119.950 -0.455 0.000 2.388 49 F HA 0.271 4.849 4.527 0.085 0.000 0.358 49 F C 0.030 175.347 175.800 -0.805 0.000 1.122 49 F CA -1.074 56.604 58.000 -0.537 0.000 1.056 49 F CB 0.753 39.596 39.000 -0.261 0.000 1.155 49 F HN 0.405 nan 8.300 nan 0.000 0.461 50 D N 3.387 123.328 120.400 -0.764 0.000 2.210 50 D HA 0.229 4.920 4.640 0.085 0.000 0.249 50 D C -2.454 173.715 176.300 -0.218 0.000 1.062 50 D CA -2.196 51.456 54.000 -0.579 0.000 0.891 50 D CB 1.786 42.259 40.800 -0.544 0.000 1.186 50 D HN 0.212 nan 8.370 nan 0.000 0.432 51 P HA -0.011 nan 4.420 nan 0.000 0.237 51 P C 0.366 177.635 177.300 -0.051 0.000 1.178 51 P CA 0.506 63.575 63.100 -0.052 0.000 0.766 51 P CB 0.300 31.991 31.700 -0.014 0.000 0.876 52 D N -0.652 119.705 120.400 -0.072 0.000 2.219 52 D HA -0.064 4.627 4.640 0.085 0.000 0.205 52 D C 0.812 177.077 176.300 -0.057 0.000 0.970 52 D CA 0.985 54.951 54.000 -0.057 0.000 0.851 52 D CB -0.158 40.603 40.800 -0.065 0.000 0.943 52 D HN 0.088 nan 8.370 nan 0.000 0.488 53 R N -0.014 120.443 120.500 -0.071 0.000 3.050 53 R HA 0.450 4.841 4.340 0.085 0.000 0.275 53 R C 1.046 177.326 176.300 -0.033 0.000 1.373 53 R CA -0.245 55.823 56.100 -0.053 0.000 1.612 53 R CB 0.834 31.093 30.300 -0.068 0.000 1.218 53 R HN -0.061 nan 8.270 nan 0.000 0.621 54 A N 1.537 124.341 122.820 -0.028 0.000 1.957 54 A HA -0.319 4.052 4.320 0.085 0.000 0.224 54 A C 1.486 179.061 177.584 -0.015 0.000 1.287 54 A CA 2.175 54.200 52.037 -0.021 0.000 0.682 54 A CB -0.207 18.783 19.000 -0.018 0.000 0.833 54 A HN 0.562 nan 8.150 nan 0.000 0.482 55 D N -0.818 119.576 120.400 -0.011 0.000 2.183 55 D HA 0.075 4.767 4.640 0.085 0.000 0.203 55 D C 2.232 178.536 176.300 0.007 0.000 0.969 55 D CA 1.269 55.266 54.000 -0.005 0.000 0.842 55 D CB -0.281 40.516 40.800 -0.005 0.000 0.957 55 D HN 0.518 nan 8.370 nan 0.000 0.484 56 A N 1.207 124.043 122.820 0.028 0.000 1.929 56 A HA -0.039 4.332 4.320 0.085 0.000 0.216 56 A C 2.185 179.820 177.584 0.086 0.000 1.176 56 A CA 0.441 52.533 52.037 0.091 0.000 0.628 56 A CB -0.589 18.488 19.000 0.127 0.000 0.816 56 A HN 0.221 nan 8.150 nan 0.000 0.444 57 L N -0.950 120.298 121.223 0.041 0.000 2.291 57 L HA -0.081 4.310 4.340 0.085 0.000 0.214 57 L C 2.345 179.164 176.870 -0.085 0.000 1.120 57 L CA 1.774 56.592 54.840 -0.036 0.000 0.799 57 L CB -0.276 41.768 42.059 -0.025 0.000 0.925 57 L HN 0.490 nan 8.230 nan 0.000 0.446 58 K N 0.142 120.513 120.400 -0.048 0.000 2.001 58 K HA -0.160 4.211 4.320 0.085 0.000 0.208 58 K C 2.099 178.661 176.600 -0.063 0.000 1.048 58 K CA 1.306 57.564 56.287 -0.048 0.000 0.932 58 K CB -0.082 32.402 32.500 -0.026 0.000 0.715 58 K HN 0.288 nan 8.250 nan 0.000 0.437 59 L N 0.465 121.656 121.223 -0.053 0.000 2.093 59 L HA -0.110 4.282 4.340 0.085 0.000 0.208 59 L C 2.434 179.233 176.870 -0.119 0.000 1.085 59 L CA 1.045 55.856 54.840 -0.049 0.000 0.755 59 L CB -0.462 41.590 42.059 -0.011 0.000 0.904 59 L HN 0.332 nan 8.230 nan 0.000 0.435 60 A N -0.182 122.492 122.820 -0.243 0.000 2.125 60 A HA -0.156 4.215 4.320 0.085 0.000 0.219 60 A C 2.282 179.646 177.584 -0.367 0.000 1.156 60 A CA 1.559 53.300 52.037 -0.495 0.000 0.671 60 A CB -0.460 17.869 19.000 -1.117 0.000 0.794 60 A HN 0.533 nan 8.150 nan 0.000 0.459 61 S N -0.524 115.039 115.700 -0.227 0.000 2.603 61 S HA 0.045 4.567 4.470 0.085 0.000 0.220 61 S C 0.895 175.412 174.600 -0.138 0.000 0.967 61 S CA 0.621 58.722 58.200 -0.165 0.000 0.920 61 S CB -0.159 62.977 63.200 -0.108 0.000 0.773 61 S HN 0.718 nan 8.310 nan 0.000 0.529 62 E N 0.753 120.870 120.200 -0.139 0.000 2.489 62 E HA 0.263 4.664 4.350 0.085 0.000 0.204 62 E C -0.279 176.152 176.600 -0.282 0.000 1.006 62 E CA -0.258 56.081 56.400 -0.102 0.000 0.936 62 E CB 0.172 29.890 29.700 0.031 0.000 1.002 62 E HN 0.498 nan 8.360 nan 0.000 0.488 63 L N 2.339 123.337 121.223 -0.376 0.000 2.462 63 L HA 0.172 4.564 4.340 0.085 0.000 0.272 63 L C 0.472 176.901 176.870 -0.735 0.000 1.166 63 L CA 0.398 54.836 54.840 -0.671 0.000 0.880 63 L CB 0.169 42.007 42.059 -0.368 0.000 1.142 63 L HN -0.081 nan 8.230 nan 0.000 0.473 64 R N 1.902 121.662 120.500 -1.233 0.000 2.919 64 R HA 0.355 4.746 4.340 0.085 0.000 0.260 64 R C -0.421 175.673 176.300 -0.344 0.000 1.067 64 R CA -0.930 54.805 56.100 -0.608 0.000 1.003 64 R CB 1.337 31.373 30.300 -0.439 0.000 1.192 64 R HN 0.576 nan 8.270 nan 0.000 0.488 65 N N 2.056 120.701 118.700 -0.091 0.000 2.407 65 N HA -0.083 4.708 4.740 0.085 0.000 0.250 65 N C -0.480 175.139 175.510 0.182 0.000 1.236 65 N CA 0.446 53.521 53.050 0.041 0.000 0.879 65 N CB 0.348 38.856 38.487 0.035 0.000 1.088 65 N HN 0.551 nan 8.380 nan 0.000 0.450 66 E N -0.485 119.865 120.200 0.251 0.000 3.801 66 E HA -0.228 4.174 4.350 0.085 0.000 0.319 66 E C -0.618 176.317 176.600 0.559 0.000 0.784 66 E CA 0.864 57.497 56.400 0.389 0.000 1.183 66 E CB -1.389 28.468 29.700 0.261 0.000 1.601 66 E HN 0.391 nan 8.360 nan 0.000 0.441 67 F N 0.679 120.735 119.950 0.177 0.000 2.563 67 F HA 0.057 4.635 4.527 0.085 0.000 0.363 67 F C 1.384 177.196 175.800 0.021 0.000 1.123 67 F CA -0.664 57.395 58.000 0.097 0.000 1.307 67 F CB 0.477 39.498 39.000 0.036 0.000 1.115 67 F HN 0.057 nan 8.300 nan 0.000 0.592 68 C N 7.658 126.954 119.300 -0.007 0.000 2.325 68 C HA 0.734 5.245 4.460 0.085 0.000 0.347 68 C C 0.070 174.930 174.990 -0.217 0.000 1.263 68 C CA -0.543 58.256 59.018 -0.364 0.000 1.806 68 C CB -2.106 25.414 27.740 -0.367 0.000 2.405 68 C HN 0.649 nan 8.230 nan 0.000 0.537 69 I N 3.351 123.780 120.570 -0.235 0.000 3.239 69 I HA 0.659 4.880 4.170 0.085 0.000 0.314 69 I C -1.101 174.938 176.117 -0.129 0.000 1.126 69 I CA -0.731 60.510 61.300 -0.099 0.000 0.973 69 I CB 1.901 39.917 38.000 0.028 0.000 1.252 69 I HN 0.604 nan 8.210 nan 0.000 0.463 70 Q N 2.290 122.053 119.800 -0.062 0.000 2.305 70 Q HA 0.690 5.082 4.340 0.085 0.000 0.271 70 Q C -2.020 173.968 176.000 -0.020 0.000 1.046 70 Q CA -0.787 54.977 55.803 -0.065 0.000 0.798 70 Q CB 3.162 31.857 28.738 -0.073 0.000 1.286 70 Q HN 0.863 nan 8.270 nan 0.000 0.435 71 V N 1.076 120.971 119.914 -0.031 0.000 2.733 71 V HA 0.729 4.900 4.120 0.085 0.000 0.306 71 V C -1.185 174.868 176.094 -0.068 0.000 1.084 71 V CA -0.127 62.152 62.300 -0.034 0.000 0.905 71 V CB 1.844 33.642 31.823 -0.043 0.000 1.010 71 V HN 0.810 nan 8.190 nan 0.000 0.424 72 T N 3.976 118.487 114.554 -0.072 0.000 2.794 72 T HA 0.902 5.303 4.350 0.085 0.000 0.280 72 T C 0.157 174.798 174.700 -0.100 0.000 0.987 72 T CA 0.525 62.580 62.100 -0.074 0.000 0.993 72 T CB 0.675 69.509 68.868 -0.057 0.000 0.939 72 T HN 1.805 nan 8.240 nan 0.000 0.449 73 G N 2.227 110.968 108.800 -0.099 0.000 2.815 73 G HA2 0.632 4.644 3.960 0.085 0.000 0.305 73 G HA3 0.632 4.644 3.960 0.085 0.000 0.305 73 G C -1.185 173.670 174.900 -0.075 0.000 1.277 73 G CA -0.705 44.325 45.100 -0.116 0.000 0.795 73 G HN 0.763 nan 8.290 nan 0.000 0.528 74 T N 0.331 114.844 114.554 -0.068 0.000 2.807 74 T HA 0.549 4.950 4.350 0.085 0.000 0.279 74 T C -0.142 174.551 174.700 -0.011 0.000 0.993 74 T CA -0.266 61.816 62.100 -0.031 0.000 0.970 74 T CB 1.819 70.672 68.868 -0.025 0.000 0.950 74 T HN 0.393 nan 8.240 nan 0.000 0.441 75 V N 4.687 124.608 119.914 0.010 0.000 2.686 75 V HA 0.597 4.769 4.120 0.085 0.000 0.295 75 V C 0.450 176.568 176.094 0.041 0.000 1.055 75 V CA -0.223 62.094 62.300 0.028 0.000 1.050 75 V CB 0.753 32.607 31.823 0.050 0.000 0.984 75 V HN 0.907 nan 8.190 nan 0.000 0.482 76 R N 3.394 123.924 120.500 0.049 0.000 2.663 76 R HA 0.772 5.163 4.340 0.085 0.000 0.267 76 R C -0.909 175.423 176.300 0.052 0.000 1.038 76 R CA -0.707 55.425 56.100 0.052 0.000 0.886 76 R CB 1.630 31.965 30.300 0.060 0.000 1.249 76 R HN 0.706 nan 8.270 nan 0.000 0.463 77 A N 2.706 125.552 122.820 0.045 0.000 2.477 77 A HA 0.306 4.677 4.320 0.085 0.000 0.246 77 A C -0.019 177.585 177.584 0.034 0.000 1.078 77 A CA -0.270 51.789 52.037 0.037 0.000 0.770 77 A CB 0.217 19.234 19.000 0.029 0.000 1.011 77 A HN 0.718 nan 8.150 nan 0.000 0.494 78 R N 1.016 121.530 120.500 0.025 0.000 2.649 78 R HA 0.223 4.615 4.340 0.085 0.000 0.270 78 R C -0.496 175.806 176.300 0.003 0.000 1.105 78 R CA -0.538 55.569 56.100 0.011 0.000 1.193 78 R CB 0.392 30.691 30.300 -0.002 0.000 1.120 78 R HN 0.725 nan 8.270 nan 0.000 0.561 79 D N 0.826 121.220 120.400 -0.011 0.000 2.344 79 D HA -0.050 4.641 4.640 0.085 0.000 0.244 79 D C 1.044 177.336 176.300 -0.014 0.000 1.134 79 D CA -0.026 53.968 54.000 -0.010 0.000 0.930 79 D CB 0.923 41.713 40.800 -0.017 0.000 1.175 79 D HN 0.481 nan 8.370 nan 0.000 0.437 80 E N 1.460 121.654 120.200 -0.010 0.000 2.097 80 E HA -0.246 4.155 4.350 0.085 0.000 0.196 80 E C 1.595 178.184 176.600 -0.018 0.000 1.000 80 E CA 1.835 58.228 56.400 -0.011 0.000 0.804 80 E CB -0.087 29.608 29.700 -0.007 0.000 0.740 80 E HN 0.545 nan 8.360 nan 0.000 0.454 81 K N -0.733 119.653 120.400 -0.023 0.000 2.442 81 K HA -0.039 4.333 4.320 0.085 0.000 0.198 81 K C 0.695 177.268 176.600 -0.044 0.000 1.042 81 K CA 1.250 57.518 56.287 -0.031 0.000 0.958 81 K CB 0.021 32.502 32.500 -0.031 0.000 0.766 81 K HN 0.006 nan 8.250 nan 0.000 0.474 82 N N 0.772 119.442 118.700 -0.049 0.000 2.205 82 N HA 0.182 4.973 4.740 0.085 0.000 0.201 82 N C -0.082 175.395 175.510 -0.054 0.000 1.128 82 N CA -0.109 52.899 53.050 -0.070 0.000 0.867 82 N CB 0.440 38.872 38.487 -0.091 0.000 0.996 82 N HN 0.161 nan 8.380 nan 0.000 0.503 83 I N 1.550 122.099 120.570 -0.035 0.000 2.648 83 I HA -0.059 4.162 4.170 0.085 0.000 0.284 83 I C 0.620 176.721 176.117 -0.027 0.000 1.153 83 I CA 0.177 61.462 61.300 -0.023 0.000 1.426 83 I CB 0.339 38.331 38.000 -0.013 0.000 1.381 83 I HN -0.088 nan 8.210 nan 0.000 0.571 84 N N 6.593 125.280 118.700 -0.023 0.000 2.707 84 N HA 0.202 4.993 4.740 0.085 0.000 0.235 84 N C 0.635 176.137 175.510 -0.013 0.000 1.028 84 N CA -0.415 52.621 53.050 -0.023 0.000 0.906 84 N CB 0.657 39.128 38.487 -0.026 0.000 1.131 84 N HN 0.435 nan 8.380 nan 0.000 0.509 85 R N 0.902 121.395 120.500 -0.012 0.000 2.341 85 R HA -0.034 4.357 4.340 0.085 0.000 0.213 85 R C -0.346 175.951 176.300 -0.006 0.000 1.082 85 R CA 0.720 56.816 56.100 -0.007 0.000 1.017 85 R CB 0.304 30.600 30.300 -0.007 0.000 0.860 85 R HN 0.424 nan 8.270 nan 0.000 0.473 86 D N -0.078 120.317 120.400 -0.009 0.000 2.369 86 D HA 0.132 4.823 4.640 0.085 0.000 0.211 86 D C 0.286 176.583 176.300 -0.005 0.000 1.077 86 D CA 0.456 54.452 54.000 -0.008 0.000 0.842 86 D CB 0.420 41.213 40.800 -0.010 0.000 0.947 86 D HN 0.139 nan 8.370 nan 0.000 0.509 87 M N -0.106 119.492 119.600 -0.003 0.000 2.436 87 M HA 0.461 4.992 4.480 0.085 0.000 0.331 87 M C 1.100 177.403 176.300 0.005 0.000 1.135 87 M CA -0.699 54.602 55.300 0.002 0.000 0.987 87 M CB 2.526 35.129 32.600 0.004 0.000 1.687 87 M HN -0.224 nan 8.290 nan 0.000 0.445 88 A N 0.822 123.646 122.820 0.007 0.000 1.972 88 A HA -0.100 4.271 4.320 0.085 0.000 0.219 88 A C 1.754 179.347 177.584 0.014 0.000 1.169 88 A CA 2.186 54.228 52.037 0.010 0.000 0.635 88 A CB -0.884 18.122 19.000 0.010 0.000 0.810 88 A HN 0.907 nan 8.150 nan 0.000 0.446 89 T N -3.688 110.875 114.554 0.014 0.000 3.206 89 T HA 0.323 4.724 4.350 0.085 0.000 0.253 89 T C 1.430 176.139 174.700 0.015 0.000 1.042 89 T CA 0.696 62.805 62.100 0.014 0.000 0.931 89 T CB 0.081 68.956 68.868 0.011 0.000 1.029 89 T HN 0.348 nan 8.240 nan 0.000 0.564 90 G N 1.645 110.452 108.800 0.011 0.000 2.564 90 G HA2 -0.138 3.873 3.960 0.085 0.000 0.217 90 G HA3 -0.138 3.873 3.960 0.085 0.000 0.217 90 G C 1.134 176.037 174.900 0.005 0.000 1.120 90 G CA 0.392 45.495 45.100 0.005 0.000 0.752 90 G HN 0.668 nan 8.290 nan 0.000 0.558 91 E N -0.885 119.323 120.200 0.014 0.000 2.498 91 E HA 0.256 4.657 4.350 0.085 0.000 0.203 91 E C 0.238 176.852 176.600 0.023 0.000 1.013 91 E CA -0.331 56.079 56.400 0.016 0.000 0.927 91 E CB 0.457 30.169 29.700 0.020 0.000 1.012 91 E HN 0.632 nan 8.360 nan 0.000 0.482 92 I N -2.102 118.485 120.570 0.027 0.000 3.343 92 I HA 0.520 4.742 4.170 0.085 0.000 0.315 92 I C -0.918 175.225 176.117 0.043 0.000 1.153 92 I CA -1.289 60.033 61.300 0.037 0.000 0.952 92 I CB 1.732 39.757 38.000 0.041 0.000 1.287 92 I HN -0.121 nan 8.210 nan 0.000 0.472 93 E N 0.193 120.428 120.200 0.058 0.000 2.437 93 E HA 0.677 5.078 4.350 0.085 0.000 0.280 93 E C -1.929 174.713 176.600 0.070 0.000 1.044 93 E CA -1.069 55.381 56.400 0.083 0.000 0.826 93 E CB 2.256 32.037 29.700 0.135 0.000 1.358 93 E HN 0.443 nan 8.360 nan 0.000 0.459 94 V N 2.025 121.972 119.914 0.055 0.000 2.378 94 V HA 0.223 4.394 4.120 0.085 0.000 0.288 94 V C -0.490 175.579 176.094 -0.042 0.000 1.016 94 V CA -0.829 61.468 62.300 -0.006 0.000 0.840 94 V CB 1.139 32.931 31.823 -0.051 0.000 0.994 94 V HN 0.633 nan 8.190 nan 0.000 0.431 95 L N 6.441 127.644 121.223 -0.034 0.000 2.433 95 L HA 0.602 4.993 4.340 0.085 0.000 0.284 95 L C 0.813 177.531 176.870 -0.252 0.000 1.120 95 L CA 0.324 55.093 54.840 -0.119 0.000 0.879 95 L CB 0.031 42.062 42.059 -0.046 0.000 1.232 95 L HN 0.746 nan 8.230 nan 0.000 0.454 96 A N 3.669 126.223 122.820 -0.443 0.000 2.448 96 A HA 0.446 4.817 4.320 0.085 0.000 0.239 96 A C 1.029 178.425 177.584 -0.314 0.000 1.080 96 A CA 0.450 52.206 52.037 -0.469 0.000 0.779 96 A CB 0.155 18.598 19.000 -0.929 0.000 1.026 96 A HN 1.109 nan 8.150 nan 0.000 0.499 97 S N -1.517 114.061 115.700 -0.204 0.000 2.661 97 S HA 0.406 4.928 4.470 0.085 0.000 0.275 97 S C 0.175 174.729 174.600 -0.077 0.000 1.075 97 S CA 0.593 58.717 58.200 -0.127 0.000 1.251 97 S CB -0.269 62.872 63.200 -0.098 0.000 1.167 97 S HN 1.906 nan 8.310 nan 0.000 0.648 98 S N 0.333 115.991 115.700 -0.071 0.000 2.535 98 S HA 0.733 5.254 4.470 0.085 0.000 0.272 98 S C -2.188 172.423 174.600 0.019 0.000 1.149 98 S CA -0.580 57.609 58.200 -0.019 0.000 0.888 98 S CB 1.608 64.791 63.200 -0.029 0.000 1.110 98 S HN 0.771 nan 8.310 nan 0.000 0.463 99 L N 2.805 124.068 121.223 0.066 0.000 2.445 99 L HA 0.859 5.250 4.340 0.085 0.000 0.262 99 L C -1.064 175.839 176.870 0.054 0.000 0.974 99 L CA 0.246 55.151 54.840 0.108 0.000 0.822 99 L CB 2.264 44.467 42.059 0.239 0.000 1.339 99 L HN 0.745 nan 8.230 nan 0.000 0.409 100 T N 5.725 120.300 114.554 0.036 0.000 2.937 100 T HA 0.552 4.953 4.350 0.085 0.000 0.297 100 T C -0.448 174.257 174.700 0.008 0.000 0.991 100 T CA -0.203 61.904 62.100 0.010 0.000 0.990 100 T CB 0.821 69.680 68.868 -0.014 0.000 0.991 100 T HN 0.450 nan 8.240 nan 0.000 0.440 101 I N 5.279 125.859 120.570 0.016 0.000 2.347 101 I HA 0.203 4.425 4.170 0.085 0.000 0.294 101 I C 1.345 177.433 176.117 -0.049 0.000 1.090 101 I CA -0.101 61.209 61.300 0.017 0.000 1.314 101 I CB 0.691 38.726 38.000 0.059 0.000 1.423 101 I HN 0.715 nan 8.210 nan 0.000 0.503 102 I N 5.179 125.700 120.570 -0.082 0.000 2.406 102 I HA -0.079 4.142 4.170 0.085 0.000 0.249 102 I C 0.580 176.624 176.117 -0.122 0.000 1.122 102 I CA 1.079 62.317 61.300 -0.102 0.000 1.431 102 I CB -0.042 37.880 38.000 -0.130 0.000 1.087 102 I HN 0.664 nan 8.210 nan 0.000 0.424 103 N N -0.481 118.116 118.700 -0.172 0.000 2.521 103 N HA 0.268 5.059 4.740 0.085 0.000 0.269 103 N C -0.859 174.385 175.510 -0.444 0.000 1.079 103 N CA -0.679 52.238 53.050 -0.221 0.000 0.980 103 N CB 1.847 40.263 38.487 -0.120 0.000 1.667 103 N HN -0.049 nan 8.380 nan 0.000 0.498 104 R N 0.845 120.968 120.500 -0.629 0.000 2.652 104 R HA 0.713 5.104 4.340 0.085 0.000 0.271 104 R C -0.530 175.458 176.300 -0.520 0.000 1.129 104 R CA -0.368 54.995 56.100 -1.227 0.000 1.200 104 R CB 0.597 30.411 30.300 -0.809 0.000 1.146 104 R HN 0.459 nan 8.270 nan 0.000 0.581 105 A N 1.094 123.762 122.820 -0.253 0.000 2.455 105 A HA 0.332 4.703 4.320 0.085 0.000 0.300 105 A C -1.320 176.345 177.584 0.136 0.000 1.040 105 A CA -0.910 51.166 52.037 0.065 0.000 0.697 105 A CB 1.369 20.493 19.000 0.208 0.000 1.265 105 A HN 0.593 nan 8.150 nan 0.000 0.407 106 D N 0.474 120.927 120.400 0.088 0.000 2.362 106 D HA 0.314 5.005 4.640 0.085 0.000 0.238 106 D C 0.471 176.821 176.300 0.083 0.000 1.212 106 D CA 0.230 54.278 54.000 0.080 0.000 0.902 106 D CB 0.688 41.522 40.800 0.057 0.000 1.180 106 D HN 0.255 nan 8.370 nan 0.000 0.445 107 V N 1.922 121.872 119.914 0.060 0.000 2.585 107 V HA -0.022 4.149 4.120 0.085 0.000 0.296 107 V C 0.373 176.466 176.094 -0.001 0.000 1.035 107 V CA -0.513 61.810 62.300 0.038 0.000 1.084 107 V CB 0.536 32.375 31.823 0.027 0.000 0.953 107 V HN 0.295 nan 8.190 nan 0.000 0.483 108 L N 9.044 130.255 121.223 -0.021 0.000 2.455 108 L HA 0.209 4.600 4.340 0.085 0.000 0.272 108 L C -0.698 176.077 176.870 -0.159 0.000 1.174 108 L CA -0.914 53.874 54.840 -0.088 0.000 0.869 108 L CB 0.302 42.311 42.059 -0.084 0.000 1.130 108 L HN 0.508 nan 8.230 nan 0.000 0.474 109 P HA -0.026 nan 4.420 nan 0.000 0.245 109 P C 0.012 177.076 177.300 -0.394 0.000 1.212 109 P CA 0.261 63.126 63.100 -0.391 0.000 0.774 109 P CB 0.443 31.743 31.700 -0.666 0.000 0.999 110 L N 1.085 122.101 121.223 -0.345 0.000 2.313 110 L HA 0.379 4.770 4.340 0.085 0.000 0.273 110 L C -0.696 176.102 176.870 -0.120 0.000 1.028 110 L CA -0.766 53.953 54.840 -0.201 0.000 0.871 110 L CB 0.480 42.423 42.059 -0.193 0.000 1.242 110 L HN -0.315 nan 8.230 nan 0.000 0.434 111 D N 1.057 121.422 120.400 -0.059 0.000 2.455 111 D HA 0.131 4.822 4.640 0.085 0.000 0.241 111 D C 0.981 177.184 176.300 -0.162 0.000 1.138 111 D CA 0.842 54.803 54.000 -0.064 0.000 0.877 111 D CB 1.123 42.013 40.800 0.150 0.000 1.187 111 D HN 0.643 nan 8.370 nan 0.000 0.451 112 S N 1.312 116.853 115.700 -0.264 0.000 2.502 112 S HA -0.038 4.484 4.470 0.085 0.000 0.228 112 S C 1.332 175.735 174.600 -0.327 0.000 1.061 112 S CA -0.237 57.821 58.200 -0.237 0.000 0.935 112 S CB -0.031 63.077 63.200 -0.154 0.000 0.809 112 S HN 0.299 nan 8.310 nan 0.000 0.510 113 N N 1.931 120.294 118.700 -0.561 0.000 2.609 113 N HA 0.050 4.841 4.740 0.085 0.000 0.190 113 N C -0.142 175.168 175.510 -0.333 0.000 1.157 113 N CA 0.630 53.419 53.050 -0.434 0.000 0.918 113 N CB -0.073 38.226 38.487 -0.312 0.000 0.978 113 N HN 0.646 nan 8.380 nan 0.000 0.448 114 H N -2.391 116.670 119.070 -0.016 0.000 2.907 114 H HA 0.415 5.022 4.556 0.085 0.000 0.361 114 H C -0.317 175.001 175.328 -0.015 0.000 1.194 114 H CA -0.987 55.053 56.048 -0.014 0.000 1.152 114 H CB 0.385 30.139 29.762 -0.013 0.000 1.867 114 H HN -0.363 nan 8.280 nan 0.000 0.561 115 V N 1.758 121.739 119.914 0.111 0.000 2.785 115 V HA 0.179 4.350 4.120 0.085 0.000 0.300 115 V C 0.440 176.565 176.094 0.053 0.000 1.062 115 V CA -0.586 61.743 62.300 0.049 0.000 1.029 115 V CB 0.924 32.768 31.823 0.034 0.000 1.024 115 V HN 0.648 nan 8.190 nan 0.000 0.477 116 N N 0.485 119.202 118.700 0.028 0.000 2.453 116 N HA 0.479 5.271 4.740 0.085 0.000 0.290 116 N C -0.426 175.098 175.510 0.022 0.000 1.250 116 N CA -0.475 52.593 53.050 0.030 0.000 0.815 116 N CB 2.118 40.619 38.487 0.024 0.000 1.381 116 N HN 0.804 nan 8.380 nan 0.000 0.510 117 T N -2.551 112.020 114.554 0.027 0.000 2.869 117 T HA 0.142 4.543 4.350 0.085 0.000 0.295 117 T C 1.098 175.808 174.700 0.017 0.000 0.987 117 T CA -0.508 61.604 62.100 0.021 0.000 1.109 117 T CB 1.481 70.363 68.868 0.024 0.000 0.932 117 T HN 0.582 nan 8.240 nan 0.000 0.518 118 E N 1.077 121.282 120.200 0.009 0.000 2.233 118 E HA -0.298 4.103 4.350 0.085 0.000 0.199 118 E C 1.789 178.392 176.600 0.005 0.000 1.004 118 E CA 1.677 58.079 56.400 0.003 0.000 0.819 118 E CB 0.036 29.737 29.700 0.001 0.000 0.738 118 E HN 0.904 nan 8.360 nan 0.000 0.478 119 E N -0.164 120.042 120.200 0.010 0.000 2.015 119 E HA -0.204 4.198 4.350 0.085 0.000 0.191 119 E C 2.004 178.611 176.600 0.011 0.000 0.991 119 E CA 1.054 57.458 56.400 0.007 0.000 0.802 119 E CB -0.219 29.488 29.700 0.010 0.000 0.759 119 E HN 0.323 nan 8.360 nan 0.000 0.447 120 A N 1.283 124.129 122.820 0.042 0.000 1.972 120 A HA -0.173 4.198 4.320 0.085 0.000 0.219 120 A C 2.191 179.849 177.584 0.124 0.000 1.169 120 A CA 1.464 53.562 52.037 0.103 0.000 0.635 120 A CB -0.473 18.603 19.000 0.126 0.000 0.810 120 A HN 0.212 nan 8.150 nan 0.000 0.446 121 R N -0.578 119.956 120.500 0.058 0.000 2.075 121 R HA -0.001 4.391 4.340 0.085 0.000 0.232 121 R C 1.956 178.254 176.300 -0.002 0.000 1.126 121 R CA 1.447 57.564 56.100 0.029 0.000 0.963 121 R CB -0.487 29.812 30.300 -0.002 0.000 0.858 121 R HN 0.498 nan 8.270 nan 0.000 0.435 122 L N 0.867 122.082 121.223 -0.012 0.000 2.201 122 L HA -0.129 4.262 4.340 0.085 0.000 0.212 122 L C 2.607 179.441 176.870 -0.059 0.000 1.105 122 L CA 0.937 55.766 54.840 -0.018 0.000 0.775 122 L CB -0.350 41.706 42.059 -0.006 0.000 0.913 122 L HN 0.091 nan 8.230 nan 0.000 0.440 123 K N 0.267 120.577 120.400 -0.149 0.000 2.155 123 K HA -0.124 4.247 4.320 0.085 0.000 0.203 123 K C 0.535 176.814 176.600 -0.535 0.000 1.052 123 K CA 1.312 57.392 56.287 -0.347 0.000 0.948 123 K CB 0.143 32.334 32.500 -0.514 0.000 0.728 123 K HN 0.274 nan 8.250 nan 0.000 0.448 124 Y N 0.552 120.740 120.300 -0.186 0.000 2.774 124 Y HA 0.232 4.833 4.550 0.085 0.000 0.305 124 Y C 1.303 176.849 175.900 -0.589 0.000 1.067 124 Y CA -0.582 57.179 58.100 -0.564 0.000 1.304 124 Y CB 0.551 38.756 38.460 -0.424 0.000 1.209 124 Y HN -0.079 nan 8.280 nan 0.000 0.543 125 R N 1.063 121.462 120.500 -0.168 0.000 2.134 125 R HA -0.289 4.102 4.340 0.085 0.000 0.248 125 R C 1.638 177.940 176.300 0.004 0.000 1.143 125 R CA 2.569 58.664 56.100 -0.010 0.000 0.957 125 R CB -1.098 29.322 30.300 0.199 0.000 0.867 125 R HN 0.602 nan 8.270 nan 0.000 0.441 126 Y N -1.652 118.761 120.300 0.187 0.000 2.151 126 Y HA -0.161 4.440 4.550 0.085 0.000 0.284 126 Y C 1.904 177.837 175.900 0.055 0.000 1.166 126 Y CA 0.675 58.867 58.100 0.154 0.000 1.163 126 Y CB -0.947 37.603 38.460 0.151 0.000 0.974 126 Y HN -0.042 nan 8.280 nan 0.000 0.511 127 L N 0.986 122.045 121.223 -0.275 0.000 2.056 127 L HA -0.143 4.248 4.340 0.085 0.000 0.207 127 L C 2.047 178.839 176.870 -0.128 0.000 1.078 127 L CA 1.989 56.732 54.840 -0.162 0.000 0.749 127 L CB -1.535 40.383 42.059 -0.234 0.000 0.901 127 L HN 0.353 nan 8.230 nan 0.000 0.433 128 D N -0.708 119.615 120.400 -0.128 0.000 2.263 128 D HA -0.181 4.510 4.640 0.085 0.000 0.208 128 D C 2.203 178.444 176.300 -0.099 0.000 0.971 128 D CA 0.743 54.685 54.000 -0.096 0.000 0.867 128 D CB 0.055 40.809 40.800 -0.076 0.000 0.929 128 D HN 0.282 nan 8.370 nan 0.000 0.492 129 L N -0.404 120.759 121.223 -0.101 0.000 2.554 129 L HA 0.124 4.515 4.340 0.085 0.000 0.226 129 L C 2.159 178.958 176.870 -0.118 0.000 1.137 129 L CA 0.221 54.992 54.840 -0.116 0.000 0.863 129 L CB -0.047 41.934 42.059 -0.130 0.000 0.985 129 L HN -0.031 nan 8.230 nan 0.000 0.451 130 R N -0.160 120.263 120.500 -0.129 0.000 2.276 130 R HA 0.028 4.419 4.340 0.085 0.000 0.203 130 R C 0.472 176.696 176.300 -0.126 0.000 1.017 130 R CA 0.085 56.084 56.100 -0.168 0.000 1.010 130 R CB 0.033 30.202 30.300 -0.218 0.000 0.900 130 R HN 0.307 nan 8.270 nan 0.000 0.469 131 R N 1.284 121.722 120.500 -0.102 0.000 2.543 131 R HA 0.044 4.435 4.340 0.085 0.000 0.277 131 R C -1.482 174.775 176.300 -0.072 0.000 1.074 131 R CA -1.355 54.697 56.100 -0.080 0.000 1.076 131 R CB 0.377 30.633 30.300 -0.074 0.000 0.993 131 R HN -0.024 nan 8.270 nan 0.000 0.459 132 P HA -0.249 nan 4.420 nan 0.000 0.214 132 P C 0.899 178.166 177.300 -0.054 0.000 1.162 132 P CA 1.377 64.447 63.100 -0.050 0.000 0.879 132 P CB 0.138 31.817 31.700 -0.035 0.000 0.786 133 E N -0.846 119.323 120.200 -0.051 0.000 2.086 133 E HA -0.204 4.198 4.350 0.085 0.000 0.200 133 E C 2.045 178.608 176.600 -0.062 0.000 1.012 133 E CA 1.572 57.941 56.400 -0.052 0.000 0.812 133 E CB -0.253 29.420 29.700 -0.046 0.000 0.743 133 E HN -0.014 nan 8.360 nan 0.000 0.453 134 M N 0.349 119.907 119.600 -0.070 0.000 2.062 134 M HA -0.092 4.439 4.480 0.085 0.000 0.259 134 M C 2.556 178.801 176.300 -0.092 0.000 1.076 134 M CA 1.646 56.896 55.300 -0.084 0.000 1.122 134 M CB -1.440 31.105 32.600 -0.092 0.000 1.312 134 M HN 0.242 nan 8.290 nan 0.000 0.412 135 A N -0.537 122.228 122.820 -0.091 0.000 2.024 135 A HA -0.224 4.147 4.320 0.085 0.000 0.220 135 A C 2.098 179.633 177.584 -0.083 0.000 1.164 135 A CA 1.934 53.916 52.037 -0.091 0.000 0.643 135 A CB -0.706 18.243 19.000 -0.085 0.000 0.806 135 A HN 0.562 nan 8.150 nan 0.000 0.451 136 Q N -0.004 119.751 119.800 -0.076 0.000 2.172 136 Q HA -0.065 4.327 4.340 0.085 0.000 0.200 136 Q C 2.125 178.076 176.000 -0.082 0.000 0.964 136 Q CA 1.370 57.129 55.803 -0.074 0.000 0.855 136 Q CB -0.207 28.492 28.738 -0.065 0.000 0.918 136 Q HN 0.665 nan 8.270 nan 0.000 0.444 137 R N -0.291 120.158 120.500 -0.084 0.000 2.075 137 R HA -0.061 4.330 4.340 0.085 0.000 0.232 137 R C 2.249 178.493 176.300 -0.094 0.000 1.126 137 R CA 1.368 57.414 56.100 -0.090 0.000 0.963 137 R CB -0.518 29.730 30.300 -0.088 0.000 0.858 137 R HN 0.334 nan 8.270 nan 0.000 0.435 138 L N 0.820 121.985 121.223 -0.097 0.000 2.109 138 L HA -0.120 4.272 4.340 0.085 0.000 0.207 138 L C 2.364 179.185 176.870 -0.083 0.000 1.086 138 L CA 1.278 56.061 54.840 -0.095 0.000 0.760 138 L CB -0.331 41.662 42.059 -0.110 0.000 0.910 138 L HN 0.162 nan 8.230 nan 0.000 0.437 139 K N -0.551 119.800 120.400 -0.082 0.000 2.155 139 K HA -0.077 4.294 4.320 0.085 0.000 0.203 139 K C 1.991 178.542 176.600 -0.082 0.000 1.052 139 K CA 1.446 57.687 56.287 -0.077 0.000 0.948 139 K CB -0.100 32.353 32.500 -0.079 0.000 0.728 139 K HN 0.248 nan 8.250 nan 0.000 0.448 140 T N 0.748 115.247 114.554 -0.093 0.000 2.985 140 T HA -0.067 4.334 4.350 0.085 0.000 0.266 140 T C 1.736 176.370 174.700 -0.110 0.000 1.076 140 T CA 0.718 62.753 62.100 -0.108 0.000 1.135 140 T CB 0.013 68.806 68.868 -0.125 0.000 0.890 140 T HN 0.258 nan 8.240 nan 0.000 0.480 141 R N 1.050 121.493 120.500 -0.097 0.000 2.092 141 R HA 0.029 4.420 4.340 0.085 0.000 0.231 141 R C 2.502 178.760 176.300 -0.069 0.000 1.119 141 R CA 1.282 57.330 56.100 -0.087 0.000 0.970 141 R CB -0.341 29.915 30.300 -0.075 0.000 0.864 141 R HN 0.345 nan 8.270 nan 0.000 0.440 142 A N 1.402 124.186 122.820 -0.062 0.000 1.898 142 A HA -0.172 4.199 4.320 0.085 0.000 0.216 142 A C 2.088 179.644 177.584 -0.047 0.000 1.181 142 A CA 1.499 53.509 52.037 -0.044 0.000 0.620 142 A CB -0.478 18.499 19.000 -0.039 0.000 0.819 142 A HN 0.388 nan 8.150 nan 0.000 0.442 143 K N -0.177 120.185 120.400 -0.064 0.000 2.032 143 K HA -0.147 4.225 4.320 0.085 0.000 0.209 143 K C 1.825 178.378 176.600 -0.079 0.000 1.048 143 K CA 1.840 58.085 56.287 -0.069 0.000 0.927 143 K CB -0.365 32.082 32.500 -0.088 0.000 0.712 143 K HN 0.495 nan 8.250 nan 0.000 0.441 144 I N 1.168 121.676 120.570 -0.104 0.000 2.179 144 I HA -0.292 3.929 4.170 0.085 0.000 0.242 144 I C 2.499 178.570 176.117 -0.077 0.000 1.088 144 I CA 1.862 63.089 61.300 -0.121 0.000 1.357 144 I CB -0.658 37.249 38.000 -0.154 0.000 1.051 144 I HN 0.431 nan 8.210 nan 0.000 0.409 145 T N -2.490 112.036 114.554 -0.047 0.000 2.833 145 T HA -0.188 4.213 4.350 0.085 0.000 0.269 145 T C 1.999 176.708 174.700 0.014 0.000 1.054 145 T CA 1.472 63.566 62.100 -0.010 0.000 1.135 145 T CB -0.508 68.364 68.868 0.005 0.000 0.869 145 T HN 0.338 nan 8.240 nan 0.000 0.466 146 S N 1.002 116.705 115.700 0.005 0.000 2.383 146 S HA 0.073 4.595 4.470 0.085 0.000 0.227 146 S C 2.030 176.657 174.600 0.045 0.000 1.026 146 S CA 0.666 58.881 58.200 0.026 0.000 0.981 146 S CB -0.628 62.579 63.200 0.012 0.000 0.818 146 S HN 0.581 nan 8.310 nan 0.000 0.472 147 L N 0.874 122.111 121.223 0.023 0.000 2.217 147 L HA 0.013 4.404 4.340 0.085 0.000 0.211 147 L C 2.478 179.430 176.870 0.136 0.000 1.107 147 L CA 0.515 55.402 54.840 0.079 0.000 0.783 147 L CB -0.379 41.655 42.059 -0.041 0.000 0.919 147 L HN 0.240 nan 8.230 nan 0.000 0.442 148 V N -0.243 119.693 119.914 0.037 0.000 2.283 148 V HA -0.255 3.916 4.120 0.085 0.000 0.243 148 V C 2.626 178.720 176.094 -0.001 0.000 1.039 148 V CA 1.637 63.929 62.300 -0.013 0.000 1.016 148 V CB -0.388 31.394 31.823 -0.067 0.000 0.650 148 V HN 0.346 nan 8.190 nan 0.000 0.449 149 R N -0.313 120.206 120.500 0.032 0.000 2.096 149 R HA -0.163 4.228 4.340 0.085 0.000 0.240 149 R C 2.518 178.854 176.300 0.060 0.000 1.139 149 R CA 1.877 58.013 56.100 0.061 0.000 0.952 149 R CB -0.348 30.043 30.300 0.152 0.000 0.854 149 R HN 0.423 nan 8.270 nan 0.000 0.436 150 R N -1.045 119.513 120.500 0.096 0.000 2.096 150 R HA -0.156 4.235 4.340 0.085 0.000 0.235 150 R C 2.126 178.480 176.300 0.091 0.000 1.127 150 R CA 1.531 57.687 56.100 0.094 0.000 0.968 150 R CB -0.396 29.967 30.300 0.104 0.000 0.861 150 R HN 0.211 nan 8.270 nan 0.000 0.440 151 F N 1.253 121.191 119.950 -0.021 0.000 2.075 151 F HA -0.238 4.334 4.527 0.076 0.000 0.297 151 F C 2.265 178.061 175.800 -0.007 0.000 1.113 151 F CA 1.524 59.505 58.000 -0.032 0.000 1.218 151 F CB -0.071 38.863 39.000 -0.110 0.000 0.984 151 F HN -0.125 nan 8.300 nan 0.000 0.472 152 M N 0.261 119.891 119.600 0.049 0.000 2.108 152 M HA -0.216 4.316 4.480 0.085 0.000 0.261 152 M C 1.797 178.167 176.300 0.117 0.000 1.066 152 M CA 1.590 56.796 55.300 -0.157 0.000 1.107 152 M CB -1.439 30.480 32.600 -1.135 0.000 1.356 152 M HN 0.142 nan 8.290 nan 0.000 0.406 153 D N 0.773 121.212 120.400 0.065 0.000 2.084 153 D HA -0.147 4.545 4.640 0.085 0.000 0.194 153 D C 1.595 177.939 176.300 0.073 0.000 0.990 153 D CA 1.261 55.338 54.000 0.128 0.000 0.826 153 D CB -0.412 40.453 40.800 0.109 0.000 0.971 153 D HN 0.281 nan 8.370 nan 0.000 0.453 154 D N -0.276 120.119 120.400 -0.007 0.000 2.190 154 D HA -0.139 4.552 4.640 0.085 0.000 0.200 154 D C 1.374 177.566 176.300 -0.180 0.000 0.992 154 D CA 1.052 54.980 54.000 -0.121 0.000 0.854 154 D CB -0.358 40.308 40.800 -0.223 0.000 0.936 154 D HN 0.416 nan 8.370 nan 0.000 0.462 155 H N -1.296 117.702 119.070 -0.119 0.000 2.526 155 H HA 0.349 4.954 4.556 0.082 0.000 0.274 155 H C 1.399 176.770 175.328 0.071 0.000 0.999 155 H CA 0.556 56.608 56.048 0.005 0.000 1.157 155 H CB 0.436 30.270 29.762 0.121 0.000 1.407 155 H HN 0.167 nan 8.280 nan 0.000 0.568 156 G N -0.106 108.795 108.800 0.169 0.000 2.136 156 G HA2 -0.275 3.736 3.960 0.085 0.000 0.242 156 G HA3 -0.275 3.736 3.960 0.085 0.000 0.242 156 G C -0.254 174.665 174.900 0.031 0.000 0.989 156 G CA -0.322 44.812 45.100 0.058 0.000 0.682 156 G HN 0.203 nan 8.290 nan 0.000 0.522 157 F N 0.557 120.613 119.950 0.177 0.000 2.410 157 F HA 0.625 5.201 4.527 0.083 0.000 0.348 157 F C 1.138 177.148 175.800 0.350 0.000 1.106 157 F CA -0.814 57.350 58.000 0.272 0.000 1.163 157 F CB 0.922 40.088 39.000 0.277 0.000 1.129 157 F HN -0.036 nan 8.300 nan 0.000 0.516 158 L N 2.921 124.378 121.223 0.390 0.000 2.350 158 L HA 0.269 4.661 4.340 0.085 0.000 0.275 158 L C -0.030 176.846 176.870 0.009 0.000 1.099 158 L CA -0.661 54.311 54.840 0.221 0.000 0.808 158 L CB 0.736 42.881 42.059 0.143 0.000 1.149 158 L HN 0.476 nan 8.230 nan 0.000 0.442 159 D N 4.382 124.679 120.400 -0.173 0.000 2.411 159 D HA 0.368 5.060 4.640 0.085 0.000 0.225 159 D C -0.636 175.491 176.300 -0.288 0.000 1.156 159 D CA -0.049 53.620 54.000 -0.552 0.000 0.874 159 D CB 0.402 40.892 40.800 -0.517 0.000 1.034 159 D HN 0.251 nan 8.370 nan 0.000 0.502 160 I N 2.845 123.276 120.570 -0.230 0.000 2.433 160 I HA 0.223 4.444 4.170 0.085 0.000 0.292 160 I C 0.582 176.688 176.117 -0.018 0.000 1.001 160 I CA -0.911 60.330 61.300 -0.099 0.000 1.119 160 I CB 1.877 39.842 38.000 -0.058 0.000 1.289 160 I HN 0.148 nan 8.210 nan 0.000 0.438 161 E N 3.907 124.063 120.200 -0.074 0.000 2.343 161 E HA 0.321 4.722 4.350 0.085 0.000 0.269 161 E C -0.336 176.211 176.600 -0.088 0.000 1.047 161 E CA -0.325 56.036 56.400 -0.065 0.000 0.874 161 E CB 1.227 30.874 29.700 -0.089 0.000 1.033 161 E HN 0.629 nan 8.360 nan 0.000 0.409 162 T N -0.496 114.001 114.554 -0.095 0.000 2.932 162 T HA 0.537 4.938 4.350 0.085 0.000 0.289 162 T C -2.437 172.089 174.700 -0.291 0.000 1.039 162 T CA -2.048 59.902 62.100 -0.250 0.000 1.024 162 T CB 1.442 70.225 68.868 -0.141 0.000 1.090 162 T HN 0.206 nan 8.240 nan 0.000 0.496 163 P HA 0.300 nan 4.420 nan 0.000 0.275 163 P C 0.117 177.326 177.300 -0.152 0.000 1.228 163 P CA -0.572 62.333 63.100 -0.324 0.000 0.786 163 P CB 0.959 32.417 31.700 -0.403 0.000 0.927 164 M N 1.406 120.940 119.600 -0.110 0.000 2.466 164 M HA 0.160 4.691 4.480 0.085 0.000 0.265 164 M C 0.804 177.045 176.300 -0.099 0.000 1.122 164 M CA 0.942 56.201 55.300 -0.067 0.000 1.157 164 M CB -0.336 32.226 32.600 -0.063 0.000 1.352 164 M HN 0.243 nan 8.290 nan 0.000 0.464 165 L N 0.853 121.985 121.223 -0.152 0.000 2.356 165 L HA 0.184 4.575 4.340 0.085 0.000 0.282 165 L C 0.138 176.995 176.870 -0.021 0.000 1.132 165 L CA -0.261 54.455 54.840 -0.208 0.000 0.923 165 L CB -0.318 41.410 42.059 -0.550 0.000 1.278 165 L HN 0.074 nan 8.230 nan 0.000 0.436 166 T N 2.309 116.938 114.554 0.126 0.000 2.893 166 T HA 0.281 4.683 4.350 0.085 0.000 0.279 166 T C -0.139 174.705 174.700 0.240 0.000 0.991 166 T CA -0.608 61.625 62.100 0.222 0.000 0.950 166 T CB 1.674 70.674 68.868 0.220 0.000 1.223 166 T HN 0.305 nan 8.240 nan 0.000 0.585 167 K N 1.201 121.696 120.400 0.159 0.000 2.235 167 K HA 0.575 4.946 4.320 0.085 0.000 0.266 167 K C -0.703 175.933 176.600 0.060 0.000 0.980 167 K CA -0.594 55.742 56.287 0.083 0.000 0.849 167 K CB 1.185 33.682 32.500 -0.005 0.000 1.098 167 K HN 0.686 nan 8.250 nan 0.000 0.445 168 A N 3.692 126.539 122.820 0.045 0.000 2.505 168 A HA 0.127 4.498 4.320 0.085 0.000 0.271 168 A C 0.272 177.846 177.584 -0.017 0.000 1.112 168 A CA 0.088 52.139 52.037 0.023 0.000 0.781 168 A CB -0.545 18.454 19.000 -0.002 0.000 1.059 168 A HN 0.755 nan 8.150 nan 0.000 0.508 169 T N 1.687 116.242 114.554 0.002 0.000 2.952 169 T HA 0.744 5.146 4.350 0.085 0.000 0.286 169 T C -2.511 172.166 174.700 -0.038 0.000 1.024 169 T CA -1.816 60.249 62.100 -0.058 0.000 1.029 169 T CB 1.371 70.253 68.868 0.022 0.000 1.094 169 T HN 0.520 nan 8.240 nan 0.000 0.515 170 P HA 0.361 nan 4.420 nan 0.000 0.276 170 P C 0.157 177.516 177.300 0.098 0.000 1.230 170 P CA 0.095 63.170 63.100 -0.042 0.000 0.776 170 P CB 0.712 32.327 31.700 -0.141 0.000 0.888 171 E N 1.740 121.983 120.200 0.071 0.000 3.545 171 E HA -0.205 4.197 4.350 0.085 0.000 0.217 171 E C 0.999 177.668 176.600 0.115 0.000 1.410 171 E CA 1.956 58.411 56.400 0.092 0.000 2.126 171 E CB -1.767 28.001 29.700 0.112 0.000 2.100 171 E HN 0.825 nan 8.360 nan 0.000 0.518 172 G N -0.759 108.117 108.800 0.127 0.000 4.430 172 G HA2 -0.025 3.987 3.960 0.085 0.000 0.332 172 G HA3 -0.025 3.987 3.960 0.085 0.000 0.332 172 G C 0.647 175.612 174.900 0.109 0.000 1.338 172 G CA 2.477 47.662 45.100 0.142 0.000 1.024 172 G HN 1.823 nan 8.290 nan 0.000 0.750 173 A N -1.925 120.956 122.820 0.102 0.000 5.650 173 A HA 0.762 5.134 4.320 0.085 0.000 0.194 173 A C -0.584 177.032 177.584 0.052 0.000 0.895 173 A CA 0.808 52.891 52.037 0.076 0.000 0.804 173 A CB 0.280 19.336 19.000 0.093 0.000 2.103 173 A HN 1.008 nan 8.150 nan 0.000 1.022 174 R N 1.395 121.919 120.500 0.040 0.000 2.460 174 R HA 0.526 4.917 4.340 0.085 0.000 0.303 174 R C -1.599 174.695 176.300 -0.011 0.000 0.968 174 R CA -0.298 55.796 56.100 -0.011 0.000 0.889 174 R CB 0.926 31.194 30.300 -0.053 0.000 1.123 174 R HN 0.822 nan 8.270 nan 0.000 0.455 175 D N 1.967 122.344 120.400 -0.038 0.000 2.392 175 D HA 0.219 4.910 4.640 0.085 0.000 0.246 175 D C -0.528 175.699 176.300 -0.123 0.000 1.013 175 D CA -0.382 53.620 54.000 0.003 0.000 0.993 175 D CB 1.009 41.845 40.800 0.061 0.000 1.219 175 D HN 0.324 nan 8.370 nan 0.000 0.538 176 Y N 0.320 120.641 120.300 0.035 0.000 2.341 176 Y HA 0.268 4.869 4.550 0.085 0.000 0.340 176 Y C 0.506 176.411 175.900 0.009 0.000 0.997 176 Y CA -0.482 57.628 58.100 0.017 0.000 1.149 176 Y CB 0.888 39.345 38.460 -0.005 0.000 1.171 176 Y HN -0.018 nan 8.280 nan 0.000 0.494 177 L N 3.992 125.285 121.223 0.116 0.000 2.421 177 L HA 0.572 4.963 4.340 0.085 0.000 0.263 177 L C -0.599 176.439 176.870 0.281 0.000 1.122 177 L CA -1.067 53.857 54.840 0.139 0.000 0.804 177 L CB 1.043 43.039 42.059 -0.104 0.000 1.150 177 L HN 0.264 nan 8.230 nan 0.000 0.457 178 V N 2.154 122.308 119.914 0.400 0.000 2.398 178 V HA 0.262 4.433 4.120 0.085 0.000 0.282 178 V C -2.282 173.985 176.094 0.288 0.000 1.014 178 V CA -1.520 60.980 62.300 0.335 0.000 0.838 178 V CB 1.534 33.532 31.823 0.290 0.000 1.018 178 V HN 0.599 nan 8.190 nan 0.000 0.432 179 P HA 0.142 nan 4.420 nan 0.000 0.270 179 P C -0.310 176.852 177.300 -0.229 0.000 1.223 179 P CA 0.204 63.018 63.100 -0.477 0.000 0.785 179 P CB 0.626 32.127 31.700 -0.332 0.000 0.923 180 S N 0.753 116.253 115.700 -0.332 0.000 2.454 180 S HA 0.293 4.814 4.470 0.085 0.000 0.306 180 S C 0.928 175.459 174.600 -0.114 0.000 1.100 180 S CA -0.721 57.412 58.200 -0.112 0.000 1.087 180 S CB 0.495 63.633 63.200 -0.103 0.000 1.019 180 S HN 0.420 nan 8.310 nan 0.000 0.480 181 R N 3.412 123.876 120.500 -0.060 0.000 2.240 181 R HA 0.125 4.517 4.340 0.085 0.000 0.203 181 R C 0.778 177.016 176.300 -0.103 0.000 1.011 181 R CA 0.929 56.986 56.100 -0.071 0.000 1.007 181 R CB -0.083 30.191 30.300 -0.044 0.000 0.911 181 R HN 0.606 nan 8.270 nan 0.000 0.468 182 V N -0.363 119.465 119.914 -0.144 0.000 2.795 182 V HA 0.029 4.200 4.120 0.085 0.000 0.243 182 V C 0.528 176.361 176.094 -0.436 0.000 1.069 182 V CA 0.757 62.883 62.300 -0.291 0.000 1.089 182 V CB -0.016 31.583 31.823 -0.373 0.000 0.756 182 V HN 0.289 nan 8.190 nan 0.000 0.471 183 H N 1.533 120.557 119.070 -0.077 0.000 2.486 183 H HA 0.369 4.976 4.556 0.085 0.000 0.239 183 H C -0.138 175.097 175.328 -0.154 0.000 1.480 183 H CA -0.483 55.502 56.048 -0.106 0.000 1.324 183 H CB 0.087 29.773 29.762 -0.127 0.000 1.486 183 H HN 0.379 nan 8.280 nan 0.000 0.544 184 K N 0.685 121.048 120.400 -0.062 0.000 2.430 184 K HA 0.150 4.522 4.320 0.085 0.000 0.280 184 K C 0.980 177.522 176.600 -0.097 0.000 1.063 184 K CA 0.797 57.025 56.287 -0.098 0.000 1.071 184 K CB 0.467 32.925 32.500 -0.070 0.000 0.899 184 K HN 0.912 nan 8.250 nan 0.000 0.473 185 G N 2.715 111.407 108.800 -0.179 0.000 2.184 185 G HA2 -0.218 3.794 3.960 0.085 0.000 0.206 185 G HA3 -0.218 3.794 3.960 0.085 0.000 0.206 185 G C -0.310 174.500 174.900 -0.149 0.000 0.995 185 G CA -0.382 44.647 45.100 -0.119 0.000 0.651 185 G HN 0.510 nan 8.290 nan 0.000 0.511 186 K N -0.529 119.674 120.400 -0.328 0.000 2.328 186 K HA 0.806 5.177 4.320 0.085 0.000 0.246 186 K C -0.987 175.266 176.600 -0.578 0.000 0.955 186 K CA -0.851 55.285 56.287 -0.253 0.000 0.817 186 K CB 1.670 34.065 32.500 -0.175 0.000 1.208 186 K HN 0.020 nan 8.250 nan 0.000 0.432 187 F N 0.056 119.874 119.950 -0.221 0.000 2.631 187 F HA 0.500 5.078 4.527 0.085 0.000 0.328 187 F C -0.247 175.333 175.800 -0.367 0.000 1.067 187 F CA -0.851 57.008 58.000 -0.235 0.000 0.969 187 F CB 0.747 39.700 39.000 -0.078 0.000 1.332 187 F HN 0.364 nan 8.300 nan 0.000 0.490 188 Y N -0.204 120.222 120.300 0.210 0.000 2.730 188 Y HA 0.817 5.419 4.550 0.085 0.000 0.325 188 Y C -0.256 175.710 175.900 0.110 0.000 1.132 188 Y CA -1.530 56.636 58.100 0.110 0.000 1.206 188 Y CB 1.360 39.855 38.460 0.058 0.000 1.390 188 Y HN 0.649 nan 8.280 nan 0.000 0.555 189 A N 0.692 123.663 122.820 0.251 0.000 2.455 189 A HA 0.636 5.007 4.320 0.085 0.000 0.300 189 A C -1.504 176.125 177.584 0.074 0.000 1.040 189 A CA -0.769 51.356 52.037 0.147 0.000 0.697 189 A CB 0.796 19.868 19.000 0.119 0.000 1.265 189 A HN 0.682 nan 8.150 nan 0.000 0.407 190 L N 3.471 124.679 121.223 -0.024 0.000 2.456 190 L HA 0.281 4.673 4.340 0.085 0.000 0.272 190 L C -1.757 175.108 176.870 -0.008 0.000 1.189 190 L CA -1.358 53.316 54.840 -0.276 0.000 0.846 190 L CB 0.625 42.153 42.059 -0.886 0.000 1.111 190 L HN 0.518 nan 8.230 nan 0.000 0.475 191 P HA 0.055 nan 4.420 nan 0.000 0.275 191 P C -0.527 176.948 177.300 0.291 0.000 1.227 191 P CA -0.398 62.824 63.100 0.203 0.000 0.781 191 P CB 1.093 32.913 31.700 0.201 0.000 0.906 192 Q N 0.880 120.831 119.800 0.252 0.000 2.187 192 Q HA 0.052 4.443 4.340 0.085 0.000 0.199 192 Q C 0.743 176.852 176.000 0.181 0.000 0.957 192 Q CA 1.162 57.123 55.803 0.264 0.000 0.857 192 Q CB -0.052 28.840 28.738 0.255 0.000 0.929 192 Q HN 0.735 nan 8.270 nan 0.000 0.453 193 S N -1.894 113.913 115.700 0.177 0.000 2.633 193 S HA 0.269 4.790 4.470 0.085 0.000 0.271 193 S C -2.910 171.795 174.600 0.175 0.000 1.112 193 S CA -1.097 57.191 58.200 0.146 0.000 0.828 193 S CB 1.271 64.561 63.200 0.151 0.000 1.086 193 S HN -0.243 nan 8.310 nan 0.000 0.461 194 P HA 0.059 nan 4.420 nan 0.000 0.258 194 P C 1.252 178.634 177.300 0.138 0.000 1.319 194 P CA 0.292 63.520 63.100 0.213 0.000 0.785 194 P CB -0.384 31.440 31.700 0.207 0.000 1.252 195 Q N -0.599 119.257 119.800 0.093 0.000 2.028 195 Q HA -0.249 4.142 4.340 0.085 0.000 0.213 195 Q C 1.474 177.395 176.000 -0.130 0.000 1.017 195 Q CA 1.632 57.427 55.803 -0.014 0.000 0.875 195 Q CB -1.364 27.365 28.738 -0.014 0.000 0.962 195 Q HN 0.202 nan 8.270 nan 0.000 0.413 196 L N -1.029 120.091 121.223 -0.173 0.000 2.270 196 L HA 0.101 4.492 4.340 0.085 0.000 0.210 196 L C 1.986 178.737 176.870 -0.197 0.000 1.104 196 L CA 1.103 55.764 54.840 -0.299 0.000 0.804 196 L CB -0.283 41.599 42.059 -0.296 0.000 0.937 196 L HN 0.170 nan 8.230 nan 0.000 0.450 197 F N 0.543 120.471 119.950 -0.036 0.000 2.234 197 F HA -0.187 4.391 4.527 0.085 0.000 0.299 197 F C 2.363 178.069 175.800 -0.158 0.000 1.087 197 F CA 1.495 59.461 58.000 -0.057 0.000 1.340 197 F CB -0.536 38.429 39.000 -0.057 0.000 1.031 197 F HN 0.187 nan 8.300 nan 0.000 0.500 198 K N -0.028 120.319 120.400 -0.088 0.000 2.167 198 K HA -0.126 4.246 4.320 0.085 0.000 0.203 198 K C 1.711 178.216 176.600 -0.158 0.000 1.052 198 K CA 1.194 57.247 56.287 -0.390 0.000 0.956 198 K CB -0.556 31.560 32.500 -0.640 0.000 0.735 198 K HN 0.300 nan 8.250 nan 0.000 0.451 199 Q N 0.443 120.208 119.800 -0.059 0.000 2.123 199 Q HA -0.038 4.353 4.340 0.085 0.000 0.199 199 Q C 1.974 177.944 176.000 -0.051 0.000 0.966 199 Q CA 0.712 56.522 55.803 0.012 0.000 0.845 199 Q CB -0.012 28.756 28.738 0.051 0.000 0.907 199 Q HN 0.168 nan 8.270 nan 0.000 0.439 200 L N 0.475 121.693 121.223 -0.007 0.000 2.191 200 L HA -0.145 4.246 4.340 0.085 0.000 0.212 200 L C 1.913 178.828 176.870 0.075 0.000 1.103 200 L CA 1.526 56.397 54.840 0.052 0.000 0.769 200 L CB -0.520 41.618 42.059 0.132 0.000 0.908 200 L HN 0.239 nan 8.230 nan 0.000 0.438 201 L N -2.021 119.243 121.223 0.067 0.000 2.313 201 L HA -0.128 4.263 4.340 0.085 0.000 0.214 201 L C 2.219 179.192 176.870 0.172 0.000 1.119 201 L CA 0.383 55.326 54.840 0.171 0.000 0.809 201 L CB -0.324 41.785 42.059 0.084 0.000 0.933 201 L HN 0.220 nan 8.230 nan 0.000 0.449 202 M N -1.096 118.513 119.600 0.016 0.000 2.419 202 M HA -0.058 4.474 4.480 0.085 0.000 0.264 202 M C 2.027 178.239 176.300 -0.147 0.000 1.082 202 M CA 1.476 56.735 55.300 -0.067 0.000 1.119 202 M CB -0.521 31.962 32.600 -0.195 0.000 1.398 202 M HN 0.306 nan 8.290 nan 0.000 0.453 203 M N -1.208 118.313 119.600 -0.130 0.000 2.514 203 M HA 0.002 4.534 4.480 0.085 0.000 0.258 203 M C 1.520 177.804 176.300 -0.026 0.000 1.119 203 M CA 0.595 55.834 55.300 -0.101 0.000 1.111 203 M CB -0.112 32.443 32.600 -0.074 0.000 1.390 203 M HN 0.035 nan 8.290 nan 0.000 0.475 204 S N -0.021 115.690 115.700 0.018 0.000 2.603 204 S HA 0.210 4.731 4.470 0.085 0.000 0.220 204 S C 1.488 175.962 174.600 -0.209 0.000 0.967 204 S CA 0.744 58.941 58.200 -0.005 0.000 0.920 204 S CB 0.105 63.407 63.200 0.171 0.000 0.773 204 S HN 0.759 nan 8.310 nan 0.000 0.529 205 G N 0.934 109.634 108.800 -0.166 0.000 2.284 205 G HA2 -0.227 3.784 3.960 0.085 0.000 0.216 205 G HA3 -0.227 3.784 3.960 0.085 0.000 0.216 205 G C 0.063 174.813 174.900 -0.250 0.000 1.009 205 G CA -0.578 44.379 45.100 -0.238 0.000 0.625 205 G HN 0.403 nan 8.290 nan 0.000 0.501 206 F N 1.582 121.565 119.950 0.055 0.000 2.595 206 F HA 0.453 5.030 4.527 0.084 0.000 0.359 206 F C 1.450 177.296 175.800 0.077 0.000 1.147 206 F CA 0.804 58.849 58.000 0.076 0.000 1.341 206 F CB 0.697 39.755 39.000 0.096 0.000 1.104 206 F HN 0.172 nan 8.300 nan 0.000 0.603 207 D N 0.255 120.793 120.400 0.230 0.000 2.422 207 D HA 0.137 4.829 4.640 0.085 0.000 0.218 207 D C -0.102 176.274 176.300 0.126 0.000 1.047 207 D CA 0.366 54.461 54.000 0.159 0.000 0.885 207 D CB 0.442 41.329 40.800 0.146 0.000 1.035 207 D HN 0.449 nan 8.370 nan 0.000 0.502 208 R N 0.030 120.606 120.500 0.127 0.000 2.515 208 R HA 0.305 4.696 4.340 0.085 0.000 0.291 208 R C -1.731 174.765 176.300 0.327 0.000 1.046 208 R CA -0.863 55.274 56.100 0.061 0.000 0.914 208 R CB 1.715 31.700 30.300 -0.524 0.000 1.191 208 R HN 0.101 nan 8.270 nan 0.000 0.435 209 Y N 3.775 124.291 120.300 0.360 0.000 2.524 209 Y HA 0.655 5.256 4.550 0.085 0.000 0.344 209 Y C -1.553 174.668 175.900 0.535 0.000 1.012 209 Y CA -1.215 57.100 58.100 0.359 0.000 1.068 209 Y CB 1.509 40.093 38.460 0.207 0.000 1.249 209 Y HN 0.617 nan 8.280 nan 0.000 0.468 210 Y N 1.738 121.591 120.300 -0.746 0.000 2.656 210 Y HA 0.708 5.312 4.550 0.090 0.000 0.334 210 Y C -1.951 173.424 175.900 -0.875 0.000 1.179 210 Y CA -1.030 56.642 58.100 -0.713 0.000 1.050 210 Y CB 1.580 39.929 38.460 -0.185 0.000 1.308 210 Y HN 0.871 nan 8.280 nan 0.000 0.456 211 Q N 2.190 121.611 119.800 -0.632 0.000 2.479 211 Q HA 0.529 4.920 4.340 0.085 0.000 0.276 211 Q C -2.157 173.795 176.000 -0.079 0.000 0.989 211 Q CA -0.735 54.788 55.803 -0.467 0.000 0.864 211 Q CB 2.508 31.090 28.738 -0.259 0.000 1.444 211 Q HN 0.891 nan 8.270 nan 0.000 0.388 212 I N 3.416 123.960 120.570 -0.042 0.000 2.337 212 I HA 0.384 4.605 4.170 0.085 0.000 0.285 212 I C -0.476 175.642 176.117 0.001 0.000 1.041 212 I CA -0.534 60.790 61.300 0.040 0.000 1.199 212 I CB 1.385 39.427 38.000 0.070 0.000 1.370 212 I HN 0.305 nan 8.210 nan 0.000 0.470 213 V N 6.916 126.834 119.914 0.007 0.000 3.074 213 V HA 0.528 4.699 4.120 0.085 0.000 0.314 213 V C -0.548 175.499 176.094 -0.078 0.000 1.117 213 V CA -0.723 61.569 62.300 -0.013 0.000 1.014 213 V CB 2.647 34.487 31.823 0.028 0.000 1.057 213 V HN 0.463 nan 8.190 nan 0.000 0.438 214 K N 2.128 122.472 120.400 -0.093 0.000 2.143 214 K HA 0.573 4.945 4.320 0.085 0.000 0.272 214 K C -1.022 175.407 176.600 -0.286 0.000 1.001 214 K CA -0.107 56.020 56.287 -0.267 0.000 0.915 214 K CB 1.167 33.518 32.500 -0.249 0.000 1.047 214 K HN 0.802 nan 8.250 nan 0.000 0.458 215 C N 2.411 121.285 119.300 -0.711 0.000 2.712 215 C HA 0.644 5.155 4.460 0.085 0.000 0.308 215 C C -0.987 173.604 174.990 -0.665 0.000 1.201 215 C CA -0.913 57.760 59.018 -0.575 0.000 1.554 215 C CB 0.325 27.456 27.740 -1.017 0.000 2.117 215 C HN 0.634 nan 8.230 nan 0.000 0.480 216 F N 1.977 121.920 119.950 -0.012 0.000 2.507 216 F HA 0.579 5.158 4.527 0.086 0.000 0.328 216 F C 0.405 176.466 175.800 0.435 0.000 1.136 216 F CA -0.828 57.308 58.000 0.227 0.000 0.930 216 F CB 1.067 40.159 39.000 0.153 0.000 1.166 216 F HN 0.500 nan 8.300 nan 0.000 0.436 217 R N 0.589 121.489 120.500 0.666 0.000 2.288 217 R HA 0.410 4.801 4.340 0.085 0.000 0.326 217 R C -0.807 175.732 176.300 0.398 0.000 0.959 217 R CA -0.521 55.856 56.100 0.461 0.000 0.834 217 R CB 1.419 31.927 30.300 0.347 0.000 1.157 217 R HN 0.508 nan 8.270 nan 0.000 0.470 218 D N 2.305 122.766 120.400 0.102 0.000 2.413 218 D HA 0.044 4.735 4.640 0.085 0.000 0.237 218 D C -0.529 175.718 176.300 -0.088 0.000 1.171 218 D CA 0.003 53.844 54.000 -0.265 0.000 0.839 218 D CB 0.278 40.513 40.800 -0.942 0.000 0.950 218 D HN 0.547 nan 8.370 nan 0.000 0.499 219 E N -0.067 120.148 120.200 0.025 0.000 2.312 219 E HA 0.241 4.642 4.350 0.085 0.000 0.259 219 E C -0.547 176.074 176.600 0.036 0.000 1.122 219 E CA -0.573 55.839 56.400 0.019 0.000 0.922 219 E CB 0.645 30.366 29.700 0.034 0.000 1.109 219 E HN 0.043 nan 8.360 nan 0.000 0.442 220 D N 0.466 120.880 120.400 0.023 0.000 2.488 220 D HA 0.036 4.728 4.640 0.085 0.000 0.238 220 D C -0.569 175.752 176.300 0.035 0.000 1.138 220 D CA 0.431 54.448 54.000 0.028 0.000 0.873 220 D CB 0.330 41.140 40.800 0.016 0.000 1.183 220 D HN 0.201 nan 8.370 nan 0.000 0.458 221 L N 3.857 125.105 121.223 0.042 0.000 2.278 221 L HA 0.320 4.711 4.340 0.085 0.000 0.287 221 L C 1.352 178.236 176.870 0.023 0.000 1.072 221 L CA -0.743 54.120 54.840 0.038 0.000 0.819 221 L CB 0.456 42.546 42.059 0.052 0.000 1.176 221 L HN 0.219 nan 8.230 nan 0.000 0.435 222 R N 2.037 122.545 120.500 0.014 0.000 2.716 222 R HA 0.387 4.779 4.340 0.085 0.000 0.202 222 R C 1.294 177.603 176.300 0.015 0.000 1.114 222 R CA 0.291 56.399 56.100 0.014 0.000 1.084 222 R CB -0.148 30.160 30.300 0.013 0.000 1.282 222 R HN 0.723 nan 8.270 nan 0.000 0.506 223 A N 1.156 123.988 122.820 0.020 0.000 1.830 223 A HA -0.148 4.223 4.320 0.085 0.000 0.214 223 A C 0.593 178.186 177.584 0.014 0.000 1.218 223 A CA 1.606 53.657 52.037 0.023 0.000 0.628 223 A CB -0.637 18.386 19.000 0.039 0.000 0.860 223 A HN 0.563 nan 8.150 nan 0.000 0.454 224 D N 0.712 121.120 120.400 0.012 0.000 3.057 224 D HA 0.218 4.910 4.640 0.085 0.000 0.246 224 D C -0.459 175.824 176.300 -0.028 0.000 1.238 224 D CA 0.158 54.153 54.000 -0.008 0.000 0.949 224 D CB 0.007 40.797 40.800 -0.017 0.000 1.086 224 D HN 0.125 nan 8.370 nan 0.000 0.487 225 R N 1.590 122.078 120.500 -0.020 0.000 2.422 225 R HA 0.253 4.644 4.340 0.085 0.000 0.307 225 R C 0.062 176.361 176.300 -0.001 0.000 1.004 225 R CA -0.591 55.486 56.100 -0.037 0.000 0.882 225 R CB 1.820 32.102 30.300 -0.029 0.000 1.164 225 R HN 0.116 nan 8.270 nan 0.000 0.489 226 Q N 3.039 122.844 119.800 0.007 0.000 2.205 226 Q HA 0.323 4.715 4.340 0.085 0.000 0.249 226 Q C -1.494 174.576 176.000 0.117 0.000 0.948 226 Q CA -1.929 53.909 55.803 0.058 0.000 0.895 226 Q CB 1.495 30.270 28.738 0.061 0.000 1.249 226 Q HN 0.218 nan 8.270 nan 0.000 0.458 227 P HA -0.097 nan 4.420 nan 0.000 0.221 227 P C -0.498 176.920 177.300 0.197 0.000 1.150 227 P CA 1.143 64.379 63.100 0.226 0.000 0.800 227 P CB 0.690 32.515 31.700 0.209 0.000 0.787 228 E N -0.042 120.185 120.200 0.045 0.000 2.227 228 E HA 0.543 4.944 4.350 0.085 0.000 0.268 228 E C -0.574 176.070 176.600 0.074 0.000 0.907 228 E CA -0.815 55.449 56.400 -0.227 0.000 0.786 228 E CB 1.525 30.980 29.700 -0.408 0.000 1.191 228 E HN 0.041 nan 8.360 nan 0.000 0.411 229 F N -2.052 117.743 119.950 -0.258 0.000 2.686 229 F HA 0.588 5.166 4.527 0.084 0.000 0.311 229 F C -0.955 174.775 175.800 -0.118 0.000 1.128 229 F CA -1.074 56.849 58.000 -0.128 0.000 0.946 229 F CB 1.154 40.122 39.000 -0.054 0.000 1.336 229 F HN 0.091 nan 8.300 nan 0.000 0.457 230 T N 2.097 116.677 114.554 0.043 0.000 2.797 230 T HA 0.494 4.895 4.350 0.085 0.000 0.279 230 T C -0.891 173.853 174.700 0.073 0.000 0.991 230 T CA -0.706 61.369 62.100 -0.041 0.000 0.979 230 T CB 1.496 70.359 68.868 -0.008 0.000 0.943 230 T HN 0.544 nan 8.240 nan 0.000 0.444 231 Q N 1.988 121.806 119.800 0.029 0.000 2.301 231 Q HA 0.526 4.917 4.340 0.085 0.000 0.267 231 Q C -0.581 175.509 176.000 0.151 0.000 1.035 231 Q CA -0.852 55.035 55.803 0.141 0.000 0.856 231 Q CB 2.589 31.408 28.738 0.136 0.000 1.337 231 Q HN 0.618 nan 8.270 nan 0.000 0.450 232 I N 1.950 122.659 120.570 0.231 0.000 2.276 232 I HA 0.090 4.312 4.170 0.085 0.000 0.290 232 I C -0.259 176.018 176.117 0.267 0.000 1.109 232 I CA -0.468 60.981 61.300 0.248 0.000 1.229 232 I CB 0.451 38.630 38.000 0.298 0.000 1.452 232 I HN 0.399 nan 8.210 nan 0.000 0.497 233 D N 5.750 126.280 120.400 0.216 0.000 2.312 233 D HA 0.380 5.071 4.640 0.085 0.000 0.252 233 D C -0.690 175.782 176.300 0.286 0.000 1.150 233 D CA 0.164 54.319 54.000 0.258 0.000 0.870 233 D CB 1.263 42.246 40.800 0.303 0.000 1.153 233 D HN 0.083 nan 8.370 nan 0.000 0.457 234 V N 2.900 123.014 119.914 0.332 0.000 2.789 234 V HA 0.609 4.781 4.120 0.085 0.000 0.311 234 V C -0.420 175.968 176.094 0.489 0.000 1.073 234 V CA -0.842 61.685 62.300 0.379 0.000 0.921 234 V CB 2.010 33.972 31.823 0.232 0.000 1.009 234 V HN 0.492 nan 8.190 nan 0.000 0.426 235 E N 1.775 122.353 120.200 0.631 0.000 2.304 235 E HA 0.690 5.091 4.350 0.085 0.000 0.277 235 E C -0.751 176.124 176.600 0.458 0.000 0.898 235 E CA -0.320 56.370 56.400 0.485 0.000 0.764 235 E CB 2.218 32.150 29.700 0.388 0.000 1.216 235 E HN 0.957 nan 8.360 nan 0.000 0.419 236 T N -0.126 114.631 114.554 0.338 0.000 2.916 236 T HA 0.869 5.270 4.350 0.085 0.000 0.292 236 T C -0.325 174.472 174.700 0.161 0.000 1.064 236 T CA -0.705 61.543 62.100 0.247 0.000 1.011 236 T CB 1.609 70.623 68.868 0.243 0.000 1.152 236 T HN 0.176 nan 8.240 nan 0.000 0.510 237 S N -0.216 115.532 115.700 0.080 0.000 2.677 237 S HA 0.652 5.173 4.470 0.085 0.000 0.304 237 S C -0.820 173.779 174.600 -0.002 0.000 1.108 237 S CA -0.810 57.333 58.200 -0.095 0.000 0.944 237 S CB 0.374 63.401 63.200 -0.289 0.000 1.127 237 S HN 0.809 nan 8.310 nan 0.000 0.511 238 F N -0.362 119.619 119.950 0.052 0.000 3.056 238 F HA -0.211 4.366 4.527 0.083 0.000 0.266 238 F C 0.162 175.975 175.800 0.023 0.000 0.957 238 F CA 0.660 58.672 58.000 0.020 0.000 0.894 238 F CB -1.641 37.358 39.000 -0.001 0.000 0.832 238 F HN 0.332 nan 8.300 nan 0.000 0.745 239 M N -0.719 118.956 119.600 0.126 0.000 2.446 239 M HA 0.376 4.907 4.480 0.085 0.000 0.294 239 M C 0.446 176.772 176.300 0.044 0.000 1.158 239 M CA -0.617 54.736 55.300 0.087 0.000 0.899 239 M CB 2.596 35.249 32.600 0.088 0.000 1.687 239 M HN 0.117 nan 8.290 nan 0.000 0.455 240 T N -0.796 113.764 114.554 0.010 0.000 2.788 240 T HA 0.537 4.938 4.350 0.085 0.000 0.280 240 T C 1.077 175.717 174.700 -0.100 0.000 0.984 240 T CA -0.125 61.958 62.100 -0.030 0.000 0.972 240 T CB 1.135 69.978 68.868 -0.042 0.000 1.039 240 T HN 0.722 nan 8.240 nan 0.000 0.530 241 A N 0.785 123.506 122.820 -0.164 0.000 1.898 241 A HA 0.162 4.533 4.320 0.085 0.000 0.216 241 A C -0.129 177.161 177.584 -0.490 0.000 1.181 241 A CA 0.904 52.711 52.037 -0.383 0.000 0.620 241 A CB -1.922 16.855 19.000 -0.371 0.000 0.819 241 A HN 0.722 nan 8.150 nan 0.000 0.442 242 P HA -0.175 nan 4.420 nan 0.000 0.216 242 P C 1.384 178.521 177.300 -0.272 0.000 1.150 242 P CA 1.440 64.347 63.100 -0.322 0.000 0.837 242 P CB -0.102 31.484 31.700 -0.191 0.000 0.786 243 Q N -0.881 118.812 119.800 -0.179 0.000 2.119 243 Q HA -0.079 4.312 4.340 0.085 0.000 0.201 243 Q C 2.093 178.036 176.000 -0.094 0.000 0.972 243 Q CA 1.144 56.889 55.803 -0.097 0.000 0.847 243 Q CB -0.705 28.013 28.738 -0.033 0.000 0.903 243 Q HN 0.119 nan 8.270 nan 0.000 0.433 244 V N 0.995 120.818 119.914 -0.152 0.000 2.343 244 V HA -0.257 3.915 4.120 0.085 0.000 0.247 244 V C 2.156 178.136 176.094 -0.191 0.000 1.051 244 V CA 1.792 64.030 62.300 -0.103 0.000 1.036 244 V CB -0.468 31.276 31.823 -0.131 0.000 0.654 244 V HN 0.279 nan 8.190 nan 0.000 0.451 245 R N -0.372 119.825 120.500 -0.505 0.000 2.115 245 R HA -0.173 4.218 4.340 0.085 0.000 0.230 245 R C 2.357 178.495 176.300 -0.269 0.000 1.111 245 R CA 1.524 57.183 56.100 -0.735 0.000 0.976 245 R CB -0.239 29.140 30.300 -1.536 0.000 0.870 245 R HN 0.653 nan 8.270 nan 0.000 0.445 246 E N 0.446 120.521 120.200 -0.209 0.000 2.012 246 E HA -0.207 4.194 4.350 0.085 0.000 0.197 246 E C 1.945 178.558 176.600 0.022 0.000 1.007 246 E CA 1.704 58.059 56.400 -0.075 0.000 0.816 246 E CB -0.075 29.594 29.700 -0.051 0.000 0.762 246 E HN 0.168 nan 8.360 nan 0.000 0.451 247 V N 0.550 120.508 119.914 0.074 0.000 2.490 247 V HA -0.225 3.947 4.120 0.085 0.000 0.250 247 V C 2.091 178.247 176.094 0.103 0.000 1.061 247 V CA 1.633 64.018 62.300 0.142 0.000 1.064 247 V CB -0.259 31.700 31.823 0.226 0.000 0.670 247 V HN 0.356 nan 8.190 nan 0.000 0.461 248 M N -0.084 119.600 119.600 0.139 0.000 2.229 248 M HA -0.088 4.443 4.480 0.085 0.000 0.264 248 M C 2.150 178.591 176.300 0.236 0.000 1.063 248 M CA 2.017 57.466 55.300 0.248 0.000 1.114 248 M CB -1.271 31.573 32.600 0.406 0.000 1.387 248 M HN 0.624 nan 8.290 nan 0.000 0.420 249 E N -0.093 120.216 120.200 0.181 0.000 2.347 249 E HA -0.043 4.358 4.350 0.085 0.000 0.196 249 E C 1.817 178.287 176.600 -0.217 0.000 1.008 249 E CA 0.809 57.119 56.400 -0.149 0.000 0.852 249 E CB 0.250 29.804 29.700 -0.243 0.000 0.783 249 E HN 0.420 nan 8.360 nan 0.000 0.505 250 A N 1.200 123.969 122.820 -0.085 0.000 1.898 250 A HA -0.048 4.323 4.320 0.085 0.000 0.214 250 A C 2.120 179.573 177.584 -0.218 0.000 1.183 250 A CA 0.389 52.410 52.037 -0.026 0.000 0.622 250 A CB -0.493 18.614 19.000 0.178 0.000 0.824 250 A HN 0.400 nan 8.150 nan 0.000 0.444 251 L N 0.093 120.937 121.223 -0.633 0.000 2.046 251 L HA -0.132 4.259 4.340 0.085 0.000 0.208 251 L C 2.331 178.933 176.870 -0.447 0.000 1.077 251 L CA 1.716 55.886 54.840 -1.116 0.000 0.747 251 L CB -0.300 41.080 42.059 -1.132 0.000 0.896 251 L HN 0.262 nan 8.230 nan 0.000 0.432 252 V N 0.240 119.992 119.914 -0.269 0.000 2.379 252 V HA -0.231 3.940 4.120 0.085 0.000 0.245 252 V C 2.652 178.795 176.094 0.082 0.000 1.044 252 V CA 1.641 63.887 62.300 -0.090 0.000 1.036 252 V CB -0.532 31.257 31.823 -0.057 0.000 0.664 252 V HN 0.475 nan 8.190 nan 0.000 0.453 253 R N -0.493 120.046 120.500 0.064 0.000 2.091 253 R HA -0.228 4.164 4.340 0.085 0.000 0.238 253 R C 2.336 178.729 176.300 0.154 0.000 1.136 253 R CA 1.956 58.134 56.100 0.129 0.000 0.959 253 R CB -0.653 29.717 30.300 0.117 0.000 0.856 253 R HN 0.636 nan 8.270 nan 0.000 0.437 254 H N 1.123 120.202 119.070 0.016 0.000 2.352 254 H HA -0.075 4.529 4.556 0.079 0.000 0.299 254 H C 1.851 177.184 175.328 0.007 0.000 1.097 254 H CA 1.673 57.739 56.048 0.030 0.000 1.311 254 H CB -0.220 29.563 29.762 0.034 0.000 1.377 254 H HN 0.078 nan 8.280 nan 0.000 0.504 255 L N -1.189 119.971 121.223 -0.106 0.000 2.046 255 L HA -0.204 4.188 4.340 0.085 0.000 0.208 255 L C 2.399 179.152 176.870 -0.194 0.000 1.077 255 L CA 1.101 55.815 54.840 -0.209 0.000 0.747 255 L CB -0.539 41.447 42.059 -0.122 0.000 0.896 255 L HN 0.473 nan 8.230 nan 0.000 0.432 256 W N -0.181 120.957 121.300 -0.269 0.000 2.519 256 W HA -0.102 4.616 4.660 0.096 0.000 0.266 256 W C 2.256 178.633 176.519 -0.237 0.000 1.253 256 W CA 0.821 57.979 57.345 -0.311 0.000 1.274 256 W CB 0.174 29.402 29.460 -0.387 0.000 1.114 256 W HN 0.231 nan 8.180 nan 0.000 0.596 257 L N -0.101 121.127 121.223 0.008 0.000 2.127 257 L HA -0.128 4.263 4.340 0.085 0.000 0.203 257 L C 2.412 179.230 176.870 -0.088 0.000 1.080 257 L CA 1.094 55.926 54.840 -0.013 0.000 0.768 257 L CB -0.328 41.758 42.059 0.045 0.000 0.924 257 L HN -0.244 nan 8.230 nan 0.000 0.444 258 E N -0.489 119.601 120.200 -0.182 0.000 2.107 258 E HA -0.127 4.274 4.350 0.085 0.000 0.191 258 E C 2.122 178.606 176.600 -0.193 0.000 0.982 258 E CA 0.975 57.253 56.400 -0.204 0.000 0.809 258 E CB -0.055 29.438 29.700 -0.346 0.000 0.756 258 E HN 0.299 nan 8.360 nan 0.000 0.459 259 V N 1.226 120.986 119.914 -0.256 0.000 2.326 259 V HA -0.078 4.093 4.120 0.085 0.000 0.238 259 V C 1.858 177.804 176.094 -0.247 0.000 1.038 259 V CA 1.176 63.311 62.300 -0.274 0.000 1.032 259 V CB -0.123 31.467 31.823 -0.389 0.000 0.675 259 V HN 0.060 nan 8.190 nan 0.000 0.467 260 K N 0.199 120.410 120.400 -0.314 0.000 2.393 260 K HA 0.251 4.622 4.320 0.085 0.000 0.193 260 K C 1.350 177.886 176.600 -0.107 0.000 1.026 260 K CA 0.769 56.926 56.287 -0.216 0.000 1.064 260 K CB 0.055 32.378 32.500 -0.296 0.000 0.833 260 K HN 0.587 nan 8.250 nan 0.000 0.521 261 G N 2.214 110.950 108.800 -0.106 0.000 2.246 261 G HA2 -0.244 3.768 3.960 0.085 0.000 0.273 261 G HA3 -0.244 3.768 3.960 0.085 0.000 0.273 261 G C 0.190 175.091 174.900 0.002 0.000 1.055 261 G CA 0.570 45.646 45.100 -0.040 0.000 0.851 261 G HN 0.248 nan 8.290 nan 0.000 0.500 262 V N -2.890 117.027 119.914 0.005 0.000 2.769 262 V HA 0.892 5.064 4.120 0.085 0.000 0.312 262 V C -0.141 175.980 176.094 0.044 0.000 1.058 262 V CA -0.961 61.364 62.300 0.042 0.000 0.952 262 V CB 2.314 34.154 31.823 0.029 0.000 1.019 262 V HN 0.252 nan 8.190 nan 0.000 0.445 263 D N 1.439 121.868 120.400 0.048 0.000 2.185 263 D HA 0.575 5.266 4.640 0.085 0.000 0.247 263 D C 0.425 176.740 176.300 0.024 0.000 1.027 263 D CA -0.471 53.559 54.000 0.051 0.000 0.861 263 D CB 1.944 42.781 40.800 0.062 0.000 1.202 263 D HN 0.570 nan 8.370 nan 0.000 0.453 264 L N 2.045 123.281 121.223 0.022 0.000 2.575 264 L HA 0.450 4.842 4.340 0.085 0.000 0.228 264 L C 1.284 178.191 176.870 0.062 0.000 1.075 264 L CA 0.275 55.100 54.840 -0.025 0.000 0.867 264 L CB -0.325 41.645 42.059 -0.149 0.000 1.097 264 L HN 0.724 nan 8.230 nan 0.000 0.485 265 G N 0.620 109.496 108.800 0.127 0.000 2.796 265 G HA2 -0.237 3.775 3.960 0.085 0.000 0.571 265 G HA3 -0.237 3.775 3.960 0.085 0.000 0.571 265 G C -0.898 174.147 174.900 0.241 0.000 1.370 265 G CA -0.717 44.467 45.100 0.140 0.000 0.856 265 G HN 0.101 nan 8.290 nan 0.000 0.538 266 D N -0.070 120.450 120.400 0.200 0.000 2.417 266 D HA 0.456 5.147 4.640 0.085 0.000 0.250 266 D C 0.739 177.268 176.300 0.382 0.000 1.166 266 D CA 0.082 54.224 54.000 0.237 0.000 0.881 266 D CB 0.033 40.920 40.800 0.146 0.000 1.164 266 D HN 0.297 nan 8.370 nan 0.000 0.467 267 F N 4.598 124.612 119.950 0.107 0.000 2.538 267 F HA 0.189 4.746 4.527 0.049 0.000 0.371 267 F C -1.199 174.690 175.800 0.148 0.000 1.087 267 F CA -2.541 55.514 58.000 0.092 0.000 1.250 267 F CB -0.480 38.566 39.000 0.077 0.000 1.110 267 F HN 0.222 nan 8.300 nan 0.000 0.570 268 P HA 0.180 nan 4.420 nan 0.000 0.271 268 P C -0.859 176.603 177.300 0.270 0.000 1.244 268 P CA -0.149 63.071 63.100 0.201 0.000 0.793 268 P CB 1.149 32.917 31.700 0.112 0.000 0.984 269 V N 1.622 121.669 119.914 0.221 0.000 2.482 269 V HA 0.397 4.568 4.120 0.085 0.000 0.295 269 V C 0.111 176.314 176.094 0.181 0.000 1.026 269 V CA -0.322 62.129 62.300 0.251 0.000 0.856 269 V CB 1.385 33.333 31.823 0.208 0.000 1.001 269 V HN 0.564 nan 8.190 nan 0.000 0.424 270 M N 3.684 123.401 119.600 0.194 0.000 2.598 270 M HA 0.631 5.162 4.480 0.085 0.000 0.317 270 M C 0.241 176.619 176.300 0.131 0.000 1.179 270 M CA -0.355 55.029 55.300 0.140 0.000 0.936 270 M CB 2.582 35.263 32.600 0.135 0.000 1.713 270 M HN 0.842 nan 8.290 nan 0.000 0.460 271 T N -0.610 113.993 114.554 0.081 0.000 2.902 271 T HA 0.278 4.679 4.350 0.085 0.000 0.280 271 T C 0.686 175.392 174.700 0.010 0.000 0.992 271 T CA -0.617 61.524 62.100 0.069 0.000 1.015 271 T CB 0.779 69.684 68.868 0.061 0.000 1.044 271 T HN 0.632 nan 8.240 nan 0.000 0.520 272 F N 1.712 121.507 119.950 -0.258 0.000 2.120 272 F HA -0.043 4.534 4.527 0.084 0.000 0.300 272 F C 2.524 178.199 175.800 -0.209 0.000 1.095 272 F CA 2.098 59.840 58.000 -0.429 0.000 1.249 272 F CB -0.889 37.736 39.000 -0.625 0.000 0.995 272 F HN 0.780 nan 8.300 nan 0.000 0.480 273 A N 0.250 123.115 122.820 0.076 0.000 1.865 273 A HA -0.237 4.135 4.320 0.085 0.000 0.217 273 A C 2.114 179.641 177.584 -0.095 0.000 1.191 273 A CA 1.992 54.031 52.037 0.003 0.000 0.623 273 A CB -1.050 17.982 19.000 0.053 0.000 0.826 273 A HN 0.574 nan 8.150 nan 0.000 0.444 274 E N -0.234 119.929 120.200 -0.062 0.000 2.058 274 E HA -0.179 4.223 4.350 0.085 0.000 0.194 274 E C 2.340 178.870 176.600 -0.116 0.000 0.997 274 E CA 1.059 57.412 56.400 -0.078 0.000 0.801 274 E CB -0.396 29.288 29.700 -0.026 0.000 0.746 274 E HN 0.611 nan 8.360 nan 0.000 0.450 275 A N 1.690 124.459 122.820 -0.085 0.000 1.917 275 A HA -0.265 4.107 4.320 0.085 0.000 0.219 275 A C 2.028 179.543 177.584 -0.115 0.000 1.182 275 A CA 1.617 53.642 52.037 -0.020 0.000 0.633 275 A CB -0.347 18.591 19.000 -0.103 0.000 0.819 275 A HN 0.150 nan 8.150 nan 0.000 0.448 276 E N -0.963 119.065 120.200 -0.287 0.000 2.086 276 E HA -0.114 4.287 4.350 0.085 0.000 0.190 276 E C 2.267 178.748 176.600 -0.198 0.000 0.975 276 E CA 0.657 56.888 56.400 -0.281 0.000 0.813 276 E CB -0.336 29.124 29.700 -0.400 0.000 0.768 276 E HN 0.648 nan 8.360 nan 0.000 0.457 277 R N 1.153 121.540 120.500 -0.188 0.000 2.083 277 R HA -0.111 4.280 4.340 0.085 0.000 0.237 277 R C 2.131 178.292 176.300 -0.232 0.000 1.137 277 R CA 1.439 57.438 56.100 -0.168 0.000 0.951 277 R CB 0.077 30.293 30.300 -0.141 0.000 0.851 277 R HN 0.027 nan 8.270 nan 0.000 0.434 278 R N -1.746 118.540 120.500 -0.356 0.000 2.254 278 R HA -0.005 4.386 4.340 0.085 0.000 0.195 278 R C 0.600 176.439 176.300 -0.769 0.000 0.957 278 R CA 0.752 56.469 56.100 -0.637 0.000 1.024 278 R CB 0.462 30.171 30.300 -0.986 0.000 0.952 278 R HN 0.334 nan 8.270 nan 0.000 0.484 279 Y N -1.816 118.413 120.300 -0.119 0.000 2.590 279 Y HA 0.301 4.901 4.550 0.085 0.000 0.263 279 Y C 1.218 177.040 175.900 -0.129 0.000 1.069 279 Y CA -0.009 58.020 58.100 -0.118 0.000 1.242 279 Y CB 0.965 39.356 38.460 -0.115 0.000 1.357 279 Y HN 0.128 nan 8.280 nan 0.000 0.556 280 G N 1.477 110.259 108.800 -0.031 0.000 2.153 280 G HA2 -0.197 3.814 3.960 0.085 0.000 0.252 280 G HA3 -0.197 3.814 3.960 0.085 0.000 0.252 280 G C 0.118 174.974 174.900 -0.074 0.000 0.994 280 G CA 0.633 45.691 45.100 -0.069 0.000 0.698 280 G HN 0.758 nan 8.290 nan 0.000 0.521 281 S N -1.454 114.202 115.700 -0.074 0.000 2.565 281 S HA 0.570 5.091 4.470 0.085 0.000 0.269 281 S C -0.107 174.417 174.600 -0.128 0.000 1.153 281 S CA 0.275 58.425 58.200 -0.084 0.000 0.835 281 S CB 1.774 64.944 63.200 -0.050 0.000 1.122 281 S HN 0.516 nan 8.310 nan 0.000 0.462 282 D N 0.011 120.355 120.400 -0.094 0.000 2.336 282 D HA 0.140 4.831 4.640 0.085 0.000 0.228 282 D C 0.259 176.618 176.300 0.097 0.000 1.120 282 D CA -0.226 53.741 54.000 -0.056 0.000 0.839 282 D CB -0.460 40.435 40.800 0.158 0.000 0.932 282 D HN 0.761 nan 8.370 nan 0.000 0.509 283 K N -0.409 120.006 120.400 0.025 0.000 3.350 283 K HA 0.302 4.674 4.320 0.085 0.000 0.167 283 K C -2.963 173.582 176.600 -0.092 0.000 1.058 283 K CA -1.245 55.049 56.287 0.012 0.000 0.783 283 K CB 0.953 33.474 32.500 0.036 0.000 0.872 283 K HN -0.160 nan 8.250 nan 0.000 0.561 284 P HA -0.073 nan 4.420 nan 0.000 0.268 284 P C -0.836 176.257 177.300 -0.345 0.000 1.208 284 P CA 0.245 63.152 63.100 -0.322 0.000 0.777 284 P CB 0.696 32.047 31.700 -0.581 0.000 0.875 285 D N 2.705 122.878 120.400 -0.379 0.000 2.454 285 D HA 0.114 4.805 4.640 0.085 0.000 0.225 285 D C 0.589 176.675 176.300 -0.357 0.000 1.081 285 D CA -0.474 53.339 54.000 -0.311 0.000 0.864 285 D CB 0.255 40.898 40.800 -0.261 0.000 1.040 285 D HN -0.018 nan 8.370 nan 0.000 0.517 286 L N 3.870 124.898 121.223 -0.326 0.000 2.627 286 L HA 0.159 4.550 4.340 0.085 0.000 0.233 286 L C 2.108 178.874 176.870 -0.173 0.000 1.144 286 L CA 0.500 55.172 54.840 -0.280 0.000 0.892 286 L CB -0.717 41.212 42.059 -0.218 0.000 1.039 286 L HN 0.342 nan 8.230 nan 0.000 0.442 287 R N -0.466 119.930 120.500 -0.173 0.000 2.148 287 R HA -0.025 4.367 4.340 0.085 0.000 0.223 287 R C 0.744 176.976 176.300 -0.113 0.000 1.088 287 R CA 0.214 56.230 56.100 -0.140 0.000 0.985 287 R CB 0.039 30.244 30.300 -0.159 0.000 0.880 287 R HN 0.244 nan 8.270 nan 0.000 0.451 288 N N 1.390 120.018 118.700 -0.120 0.000 2.439 288 N HA 0.052 4.843 4.740 0.085 0.000 0.249 288 N C -1.778 173.707 175.510 -0.042 0.000 1.003 288 N CA -2.022 50.979 53.050 -0.082 0.000 0.942 288 N CB 1.520 39.953 38.487 -0.089 0.000 1.115 288 N HN -0.090 nan 8.380 nan 0.000 0.505 289 P HA -0.094 nan 4.420 nan 0.000 0.223 289 P C 0.539 177.860 177.300 0.035 0.000 1.151 289 P CA 0.825 63.930 63.100 0.008 0.000 0.787 289 P CB 0.390 32.085 31.700 -0.009 0.000 0.788 290 M N 0.672 120.286 119.600 0.023 0.000 2.232 290 M HA 0.124 4.655 4.480 0.085 0.000 0.321 290 M C 0.773 177.112 176.300 0.065 0.000 1.101 290 M CA 0.874 56.185 55.300 0.018 0.000 1.181 290 M CB 0.154 32.749 32.600 -0.010 0.000 1.432 290 M HN 0.002 nan 8.290 nan 0.000 0.457 291 E N 0.945 121.136 120.200 -0.015 0.000 2.375 291 E HA 0.523 4.924 4.350 0.085 0.000 0.280 291 E C -1.731 174.784 176.600 -0.142 0.000 0.972 291 E CA -0.868 55.473 56.400 -0.099 0.000 0.782 291 E CB 1.197 30.764 29.700 -0.221 0.000 1.229 291 E HN 0.552 nan 8.360 nan 0.000 0.439 292 L N 1.267 122.382 121.223 -0.180 0.000 2.464 292 L HA 0.408 4.799 4.340 0.085 0.000 0.264 292 L C 0.123 176.893 176.870 -0.167 0.000 1.199 292 L CA -0.015 54.729 54.840 -0.159 0.000 0.818 292 L CB 0.955 42.926 42.059 -0.146 0.000 1.102 292 L HN 0.660 nan 8.230 nan 0.000 0.473 293 T N -0.360 114.106 114.554 -0.147 0.000 2.909 293 T HA 0.293 4.694 4.350 0.085 0.000 0.299 293 T C -1.175 173.465 174.700 -0.100 0.000 1.073 293 T CA -0.657 61.369 62.100 -0.124 0.000 0.999 293 T CB 1.824 70.622 68.868 -0.116 0.000 1.098 293 T HN 0.374 nan 8.240 nan 0.000 0.477 294 D N 1.600 121.954 120.400 -0.077 0.000 2.168 294 D HA 0.451 5.142 4.640 0.085 0.000 0.246 294 D C 0.827 177.106 176.300 -0.035 0.000 1.050 294 D CA -0.256 53.711 54.000 -0.055 0.000 0.857 294 D CB 1.890 42.658 40.800 -0.052 0.000 1.169 294 D HN 0.376 nan 8.370 nan 0.000 0.453 295 V N -0.367 119.533 119.914 -0.024 0.000 3.392 295 V HA 0.331 4.502 4.120 0.085 0.000 0.294 295 V C 1.648 177.717 176.094 -0.042 0.000 1.561 295 V CA 0.457 62.748 62.300 -0.016 0.000 1.056 295 V CB 0.199 32.041 31.823 0.032 0.000 0.882 295 V HN 0.434 nan 8.190 nan 0.000 0.440 296 A N 2.782 125.574 122.820 -0.047 0.000 1.940 296 A HA -0.318 4.054 4.320 0.085 0.000 0.221 296 A C 1.987 179.557 177.584 -0.023 0.000 1.190 296 A CA 2.633 54.644 52.037 -0.044 0.000 0.647 296 A CB -0.879 18.105 19.000 -0.028 0.000 0.821 296 A HN 0.853 nan 8.150 nan 0.000 0.457 297 D N -0.668 119.723 120.400 -0.016 0.000 2.265 297 D HA -0.137 4.554 4.640 0.085 0.000 0.208 297 D C 1.362 177.662 176.300 -0.000 0.000 0.977 297 D CA 1.050 55.046 54.000 -0.006 0.000 0.871 297 D CB -0.316 40.480 40.800 -0.006 0.000 0.925 297 D HN 0.339 nan 8.370 nan 0.000 0.485 298 L N -0.255 120.965 121.223 -0.005 0.000 2.509 298 L HA 0.205 4.596 4.340 0.085 0.000 0.222 298 L C 1.692 178.570 176.870 0.014 0.000 1.123 298 L CA 0.603 55.446 54.840 0.005 0.000 0.856 298 L CB -0.230 41.831 42.059 0.004 0.000 0.985 298 L HN 0.072 nan 8.230 nan 0.000 0.456 299 L N -1.906 119.321 121.223 0.008 0.000 3.202 299 L HA 0.178 4.570 4.340 0.085 0.000 0.278 299 L C 1.674 178.583 176.870 0.065 0.000 1.268 299 L CA -0.085 54.784 54.840 0.049 0.000 1.034 299 L CB 0.073 42.134 42.059 0.005 0.000 1.407 299 L HN 0.018 nan 8.230 nan 0.000 0.581 300 K N 0.204 120.628 120.400 0.040 0.000 2.103 300 K HA 0.034 4.405 4.320 0.085 0.000 0.204 300 K C 1.322 177.947 176.600 0.042 0.000 1.052 300 K CA 1.010 57.319 56.287 0.035 0.000 0.945 300 K CB 0.173 32.686 32.500 0.021 0.000 0.722 300 K HN 0.195 nan 8.250 nan 0.000 0.443 301 S N 1.265 116.994 115.700 0.048 0.000 2.614 301 S HA 0.050 4.571 4.470 0.085 0.000 0.230 301 S C 0.447 175.087 174.600 0.067 0.000 0.952 301 S CA -0.503 57.726 58.200 0.048 0.000 0.949 301 S CB -0.129 63.094 63.200 0.039 0.000 0.786 301 S HN 0.148 nan 8.310 nan 0.000 0.478 302 V N 0.564 120.534 119.914 0.093 0.000 2.953 302 V HA 0.362 4.533 4.120 0.085 0.000 0.304 302 V C 1.185 177.344 176.094 0.109 0.000 1.073 302 V CA -0.654 61.723 62.300 0.128 0.000 1.064 302 V CB 0.970 32.918 31.823 0.208 0.000 1.047 302 V HN 0.432 nan 8.190 nan 0.000 0.478 303 E N 2.445 122.725 120.200 0.134 0.000 2.076 303 E HA -0.065 4.336 4.350 0.085 0.000 0.190 303 E C 0.804 177.455 176.600 0.085 0.000 0.979 303 E CA 0.107 56.575 56.400 0.114 0.000 0.807 303 E CB -0.191 29.603 29.700 0.157 0.000 0.761 303 E HN 0.546 nan 8.360 nan 0.000 0.454 304 F N 2.440 122.293 119.950 -0.163 0.000 2.477 304 F HA 0.042 4.620 4.527 0.085 0.000 0.392 304 F C 1.312 176.919 175.800 -0.321 0.000 1.028 304 F CA -0.512 57.200 58.000 -0.480 0.000 1.069 304 F CB 0.426 38.949 39.000 -0.795 0.000 0.970 304 F HN 0.105 nan 8.300 nan 0.000 0.540 305 A N 5.191 127.702 122.820 -0.516 0.000 1.972 305 A HA -0.125 4.246 4.320 0.085 0.000 0.219 305 A C 2.159 179.410 177.584 -0.556 0.000 1.169 305 A CA 1.714 53.495 52.037 -0.427 0.000 0.635 305 A CB -0.878 17.943 19.000 -0.298 0.000 0.810 305 A HN 0.597 nan 8.150 nan 0.000 0.446 306 V N -1.064 118.195 119.914 -1.091 0.000 2.594 306 V HA -0.202 3.969 4.120 0.085 0.000 0.253 306 V C 2.151 178.065 176.094 -0.300 0.000 1.069 306 V CA 1.763 63.571 62.300 -0.819 0.000 1.082 306 V CB -0.833 30.282 31.823 -1.181 0.000 0.680 306 V HN 0.551 nan 8.190 nan 0.000 0.469 307 F N -0.014 119.664 119.950 -0.453 0.000 2.287 307 F HA 0.344 4.923 4.527 0.086 0.000 0.276 307 F C 2.434 178.161 175.800 -0.122 0.000 1.047 307 F CA 0.236 58.136 58.000 -0.167 0.000 1.194 307 F CB -1.704 37.270 39.000 -0.043 0.000 1.118 307 F HN 0.060 nan 8.300 nan 0.000 0.556 308 A N 0.933 123.823 122.820 0.117 0.000 1.909 308 A HA -0.272 4.099 4.320 0.085 0.000 0.221 308 A C 2.486 180.074 177.584 0.005 0.000 1.223 308 A CA 2.701 54.765 52.037 0.045 0.000 0.658 308 A CB -1.660 17.346 19.000 0.011 0.000 0.831 308 A HN 0.455 nan 8.150 nan 0.000 0.462 309 G N -0.035 108.742 108.800 -0.037 0.000 2.639 309 G HA2 -0.224 3.788 3.960 0.085 0.000 0.216 309 G HA3 -0.224 3.788 3.960 0.085 0.000 0.216 309 G C 0.017 174.909 174.900 -0.014 0.000 1.267 309 G CA 1.410 46.487 45.100 -0.038 0.000 0.801 309 G HN 0.571 nan 8.290 nan 0.000 0.592 310 P HA 0.008 nan 4.420 nan 0.000 0.228 310 P C 1.455 178.759 177.300 0.007 0.000 1.151 310 P CA 1.656 64.759 63.100 0.005 0.000 0.770 310 P CB -0.023 31.688 31.700 0.017 0.000 0.786 311 A N -0.229 122.599 122.820 0.013 0.000 2.123 311 A HA 0.015 4.386 4.320 0.085 0.000 0.214 311 A C 1.920 179.508 177.584 0.006 0.000 1.152 311 A CA 0.657 52.698 52.037 0.007 0.000 0.728 311 A CB -0.590 18.419 19.000 0.015 0.000 0.814 311 A HN 0.124 nan 8.150 nan 0.000 0.464 312 N N 0.140 118.843 118.700 0.005 0.000 2.205 312 N HA 0.016 4.807 4.740 0.085 0.000 0.201 312 N C -0.681 174.829 175.510 0.001 0.000 1.128 312 N CA 0.044 53.096 53.050 0.003 0.000 0.867 312 N CB 0.435 38.923 38.487 0.003 0.000 0.996 312 N HN 0.416 nan 8.380 nan 0.000 0.503 313 D N 1.395 121.795 120.400 0.000 0.000 2.277 313 D HA 0.190 4.881 4.640 0.085 0.000 0.249 313 D C -1.667 174.635 176.300 0.002 0.000 1.134 313 D CA -1.992 52.008 54.000 -0.000 0.000 0.863 313 D CB 1.935 42.734 40.800 -0.001 0.000 1.143 313 D HN -0.075 nan 8.370 nan 0.000 0.458 314 P HA -0.081 nan 4.420 nan 0.000 0.218 314 P C 0.163 177.468 177.300 0.009 0.000 1.148 314 P CA 1.242 64.346 63.100 0.006 0.000 0.822 314 P CB 0.228 31.932 31.700 0.006 0.000 0.784 315 K N -0.585 119.820 120.400 0.009 0.000 2.493 315 K HA 0.331 4.702 4.320 0.085 0.000 0.207 315 K C 0.821 177.427 176.600 0.010 0.000 1.033 315 K CA -0.309 55.986 56.287 0.013 0.000 1.161 315 K CB 0.490 32.999 32.500 0.015 0.000 0.873 315 K HN 0.097 nan 8.250 nan 0.000 0.491 316 G N 1.360 110.164 108.800 0.006 0.000 2.600 316 G HA2 0.625 4.636 3.960 0.085 0.000 0.303 316 G HA3 0.625 4.636 3.960 0.085 0.000 0.303 316 G C -1.169 173.731 174.900 0.000 0.000 1.253 316 G CA -0.792 44.310 45.100 0.004 0.000 0.974 316 G HN 0.238 nan 8.290 nan 0.000 0.483 317 R N -1.330 119.169 120.500 -0.002 0.000 2.663 317 R HA 0.598 4.989 4.340 0.085 0.000 0.267 317 R C -2.183 174.112 176.300 -0.008 0.000 1.038 317 R CA -0.822 55.272 56.100 -0.010 0.000 0.886 317 R CB 1.768 32.057 30.300 -0.018 0.000 1.249 317 R HN 0.352 nan 8.270 nan 0.000 0.463 318 V N 1.775 121.676 119.914 -0.022 0.000 2.326 318 V HA 0.594 4.766 4.120 0.085 0.000 0.281 318 V C -0.102 175.988 176.094 -0.007 0.000 1.015 318 V CA -0.550 61.738 62.300 -0.021 0.000 0.823 318 V CB 1.047 32.794 31.823 -0.127 0.000 1.009 318 V HN 0.892 nan 8.190 nan 0.000 0.436 319 A N 4.283 127.104 122.820 0.001 0.000 2.290 319 A HA 0.887 5.258 4.320 0.085 0.000 0.310 319 A C 0.299 177.825 177.584 -0.098 0.000 1.202 319 A CA -0.220 51.789 52.037 -0.046 0.000 0.837 319 A CB 0.984 19.949 19.000 -0.058 0.000 1.139 319 A HN 1.156 nan 8.150 nan 0.000 0.509 320 A N 1.975 124.667 122.820 -0.214 0.000 2.305 320 A HA 0.640 5.011 4.320 0.085 0.000 0.322 320 A C -0.775 176.617 177.584 -0.320 0.000 1.187 320 A CA -0.421 51.308 52.037 -0.514 0.000 0.825 320 A CB 0.649 19.271 19.000 -0.630 0.000 1.164 320 A HN 1.437 nan 8.150 nan 0.000 0.498 321 L N 3.300 124.345 121.223 -0.296 0.000 2.353 321 L HA 0.394 4.785 4.340 0.085 0.000 0.270 321 L C 0.253 177.030 176.870 -0.156 0.000 1.003 321 L CA -0.443 54.305 54.840 -0.153 0.000 0.862 321 L CB 1.006 43.038 42.059 -0.046 0.000 1.221 321 L HN 0.734 nan 8.230 nan 0.000 0.430 322 R N 4.590 124.997 120.500 -0.154 0.000 2.288 322 R HA 0.279 4.670 4.340 0.085 0.000 0.330 322 R C -1.408 174.834 176.300 -0.096 0.000 1.069 322 R CA -0.079 55.938 56.100 -0.138 0.000 0.941 322 R CB 0.748 30.979 30.300 -0.114 0.000 0.998 322 R HN 0.498 nan 8.270 nan 0.000 0.452 323 V N 6.879 126.731 119.914 -0.103 0.000 2.294 323 V HA 0.409 4.580 4.120 0.085 0.000 0.272 323 V C -2.459 173.597 176.094 -0.064 0.000 1.027 323 V CA -2.621 59.640 62.300 -0.064 0.000 0.823 323 V CB 1.337 33.145 31.823 -0.025 0.000 1.030 323 V HN 0.675 nan 8.190 nan 0.000 0.457 324 P HA 0.214 nan 4.420 nan 0.000 0.261 324 P C 1.006 178.288 177.300 -0.030 0.000 1.173 324 P CA 1.779 64.856 63.100 -0.038 0.000 0.760 324 P CB 0.633 32.316 31.700 -0.030 0.000 0.783 325 G N 2.925 111.708 108.800 -0.030 0.000 2.166 325 G HA2 -0.292 3.719 3.960 0.085 0.000 0.260 325 G HA3 -0.292 3.719 3.960 0.085 0.000 0.260 325 G C 1.206 176.094 174.900 -0.021 0.000 0.986 325 G CA 0.298 45.385 45.100 -0.021 0.000 0.683 325 G HN 0.747 nan 8.290 nan 0.000 0.527 326 G N 0.058 108.834 108.800 -0.041 0.000 2.484 326 G HA2 0.290 4.301 3.960 0.085 0.000 0.218 326 G HA3 0.290 4.301 3.960 0.085 0.000 0.218 326 G C 1.877 176.733 174.900 -0.073 0.000 1.130 326 G CA 1.956 47.026 45.100 -0.050 0.000 0.784 326 G HN 1.503 nan 8.290 nan 0.000 0.543 327 A N 1.273 124.050 122.820 -0.070 0.000 1.978 327 A HA -0.040 4.331 4.320 0.085 0.000 0.220 327 A C 2.580 180.139 177.584 -0.042 0.000 1.170 327 A CA 2.087 54.086 52.037 -0.063 0.000 0.636 327 A CB -0.566 18.414 19.000 -0.033 0.000 0.810 327 A HN 0.317 nan 8.150 nan 0.000 0.448 328 S N -0.421 115.265 115.700 -0.022 0.000 2.493 328 S HA -0.003 4.518 4.470 0.085 0.000 0.243 328 S C 0.548 175.146 174.600 -0.003 0.000 0.991 328 S CA 0.206 58.401 58.200 -0.009 0.000 0.957 328 S CB -0.605 62.594 63.200 -0.002 0.000 0.756 328 S HN 0.345 nan 8.310 nan 0.000 0.521 329 L N 2.390 123.614 121.223 0.001 0.000 2.499 329 L HA 0.125 4.516 4.340 0.085 0.000 0.281 329 L C 0.964 177.829 176.870 -0.008 0.000 1.234 329 L CA 0.830 55.685 54.840 0.025 0.000 0.839 329 L CB -0.167 41.951 42.059 0.099 0.000 1.104 329 L HN 0.068 nan 8.230 nan 0.000 0.500 330 T N 1.387 115.937 114.554 -0.007 0.000 2.923 330 T HA 0.362 4.764 4.350 0.085 0.000 0.281 330 T C 1.323 176.016 174.700 -0.012 0.000 0.995 330 T CA -0.753 61.339 62.100 -0.013 0.000 0.985 330 T CB 1.162 70.018 68.868 -0.019 0.000 1.114 330 T HN 0.421 nan 8.240 nan 0.000 0.548 331 R N 0.378 120.880 120.500 0.003 0.000 2.066 331 R HA -0.056 4.335 4.340 0.085 0.000 0.232 331 R C 2.471 178.774 176.300 0.005 0.000 1.131 331 R CA 1.247 57.361 56.100 0.024 0.000 0.955 331 R CB -0.189 30.135 30.300 0.040 0.000 0.851 331 R HN 0.560 nan 8.270 nan 0.000 0.432 332 K N 0.614 121.004 120.400 -0.017 0.000 2.103 332 K HA -0.250 4.121 4.320 0.085 0.000 0.207 332 K C 2.031 178.575 176.600 -0.094 0.000 1.048 332 K CA 1.607 57.870 56.287 -0.040 0.000 0.930 332 K CB 0.095 32.571 32.500 -0.042 0.000 0.716 332 K HN -0.020 nan 8.250 nan 0.000 0.444 333 Q N 1.033 120.763 119.800 -0.116 0.000 1.990 333 Q HA -0.034 4.357 4.340 0.085 0.000 0.200 333 Q C 1.981 177.798 176.000 -0.305 0.000 0.980 333 Q CA 1.803 57.462 55.803 -0.240 0.000 0.832 333 Q CB -0.153 28.500 28.738 -0.141 0.000 0.897 333 Q HN 0.388 nan 8.270 nan 0.000 0.427 334 I N 0.859 121.394 120.570 -0.057 0.000 2.423 334 I HA -0.285 3.936 4.170 0.085 0.000 0.254 334 I C 1.342 177.498 176.117 0.066 0.000 1.151 334 I CA 1.199 62.564 61.300 0.108 0.000 1.421 334 I CB -0.310 37.763 38.000 0.122 0.000 1.079 334 I HN 0.254 nan 8.210 nan 0.000 0.431 335 D N 0.712 121.117 120.400 0.008 0.000 2.162 335 D HA -0.145 4.546 4.640 0.085 0.000 0.203 335 D C 2.006 178.304 176.300 -0.003 0.000 0.967 335 D CA 1.219 55.238 54.000 0.031 0.000 0.840 335 D CB -0.069 40.748 40.800 0.030 0.000 0.972 335 D HN 0.587 nan 8.370 nan 0.000 0.482 336 E N 0.545 120.679 120.200 -0.111 0.000 2.038 336 E HA -0.240 4.161 4.350 0.085 0.000 0.195 336 E C 1.915 178.530 176.600 0.024 0.000 1.000 336 E CA 1.019 57.359 56.400 -0.099 0.000 0.803 336 E CB -0.742 28.812 29.700 -0.245 0.000 0.750 336 E HN 0.239 nan 8.360 nan 0.000 0.448 337 Y N 1.694 121.987 120.300 -0.013 0.000 2.114 337 Y HA -0.115 4.487 4.550 0.086 0.000 0.282 337 Y C 2.894 178.807 175.900 0.022 0.000 1.165 337 Y CA 1.161 59.237 58.100 -0.041 0.000 1.148 337 Y CB -1.342 36.918 38.460 -0.333 0.000 0.972 337 Y HN 0.247 nan 8.280 nan 0.000 0.504 338 G N -0.405 108.490 108.800 0.159 0.000 2.469 338 G HA2 -0.324 3.687 3.960 0.085 0.000 0.219 338 G HA3 -0.324 3.687 3.960 0.085 0.000 0.219 338 G C 1.490 176.465 174.900 0.124 0.000 1.150 338 G CA 1.413 46.593 45.100 0.132 0.000 0.763 338 G HN 0.437 nan 8.290 nan 0.000 0.561 339 N N -0.410 118.366 118.700 0.125 0.000 2.216 339 N HA -0.012 4.779 4.740 0.085 0.000 0.183 339 N C 1.688 177.281 175.510 0.138 0.000 1.017 339 N CA 0.729 53.842 53.050 0.105 0.000 0.861 339 N CB -0.301 38.238 38.487 0.086 0.000 0.986 339 N HN 0.294 nan 8.380 nan 0.000 0.428 340 F N 2.077 122.073 119.950 0.075 0.000 2.065 340 F HA -0.226 4.352 4.527 0.085 0.000 0.298 340 F C 2.122 178.028 175.800 0.176 0.000 1.112 340 F CA 1.367 59.439 58.000 0.120 0.000 1.212 340 F CB -0.815 38.271 39.000 0.144 0.000 0.975 340 F HN -0.040 nan 8.300 nan 0.000 0.476 341 V N -0.585 119.283 119.914 -0.077 0.000 2.720 341 V HA -0.227 3.944 4.120 0.085 0.000 0.256 341 V C 2.411 178.477 176.094 -0.047 0.000 1.082 341 V CA 2.113 64.334 62.300 -0.132 0.000 1.101 341 V CB -1.092 30.722 31.823 -0.015 0.000 0.693 341 V HN 0.424 nan 8.190 nan 0.000 0.479 342 K N 0.745 121.130 120.400 -0.025 0.000 2.097 342 K HA -0.126 4.245 4.320 0.085 0.000 0.206 342 K C 1.925 178.484 176.600 -0.068 0.000 1.049 342 K CA 1.900 58.176 56.287 -0.020 0.000 0.933 342 K CB -0.453 32.047 32.500 0.001 0.000 0.717 342 K HN 0.536 nan 8.250 nan 0.000 0.442 343 I N 0.793 121.281 120.570 -0.136 0.000 2.248 343 I HA -0.272 3.949 4.170 0.085 0.000 0.248 343 I C 1.335 177.222 176.117 -0.384 0.000 1.107 343 I CA 1.344 62.479 61.300 -0.275 0.000 1.373 343 I CB -0.546 37.209 38.000 -0.410 0.000 1.055 343 I HN 0.105 nan 8.210 nan 0.000 0.418 344 Y N 0.687 120.853 120.300 -0.224 0.000 2.537 344 Y HA 0.403 5.005 4.550 0.086 0.000 0.303 344 Y C 1.753 177.591 175.900 -0.104 0.000 1.176 344 Y CA 0.098 58.101 58.100 -0.163 0.000 1.273 344 Y CB -0.504 37.836 38.460 -0.201 0.000 1.110 344 Y HN 0.235 nan 8.280 nan 0.000 0.518 345 G N -0.105 108.688 108.800 -0.012 0.000 2.153 345 G HA2 -0.212 3.800 3.960 0.085 0.000 0.252 345 G HA3 -0.212 3.800 3.960 0.085 0.000 0.252 345 G C 0.371 175.277 174.900 0.011 0.000 0.994 345 G CA 0.091 45.188 45.100 -0.005 0.000 0.698 345 G HN 0.683 nan 8.290 nan 0.000 0.521 346 A N -0.448 122.384 122.820 0.019 0.000 2.264 346 A HA 0.822 5.193 4.320 0.085 0.000 0.304 346 A C 1.225 178.823 177.584 0.023 0.000 1.100 346 A CA 0.511 52.562 52.037 0.023 0.000 0.839 346 A CB 0.686 19.702 19.000 0.027 0.000 1.121 346 A HN 0.759 nan 8.150 nan 0.000 0.496 347 K N 0.661 121.079 120.400 0.030 0.000 2.051 347 K HA 0.316 4.687 4.320 0.085 0.000 0.212 347 K C 1.147 177.778 176.600 0.052 0.000 1.032 347 K CA 0.711 57.015 56.287 0.029 0.000 0.982 347 K CB -0.538 31.972 32.500 0.017 0.000 1.002 347 K HN 0.618 nan 8.250 nan 0.000 0.452 348 G N 0.185 109.032 108.800 0.079 0.000 3.410 348 G HA2 0.474 4.486 3.960 0.085 0.000 0.189 348 G HA3 0.474 4.486 3.960 0.085 0.000 0.189 348 G C -1.022 173.972 174.900 0.157 0.000 1.404 348 G CA -0.455 44.713 45.100 0.114 0.000 0.898 348 G HN 0.271 nan 8.290 nan 0.000 0.650 349 L N 0.016 121.377 121.223 0.229 0.000 2.434 349 L HA 0.587 4.978 4.340 0.085 0.000 0.255 349 L C 0.424 177.587 176.870 0.488 0.000 1.248 349 L CA -0.165 54.861 54.840 0.309 0.000 0.870 349 L CB 0.125 42.298 42.059 0.190 0.000 1.029 349 L HN 0.811 nan 8.230 nan 0.000 0.514 350 A N 1.939 125.054 122.820 0.492 0.000 2.521 350 A HA 0.463 4.835 4.320 0.085 0.000 0.237 350 A C -0.567 177.444 177.584 0.712 0.000 1.087 350 A CA 1.141 53.467 52.037 0.482 0.000 0.777 350 A CB 0.057 19.336 19.000 0.465 0.000 1.035 350 A HN 1.230 nan 8.150 nan 0.000 0.510 351 Y N -2.776 117.802 120.300 0.462 0.000 2.713 351 Y HA 0.753 5.354 4.550 0.085 0.000 0.335 351 Y C -1.335 174.716 175.900 0.251 0.000 1.222 351 Y CA -1.840 56.487 58.100 0.379 0.000 1.061 351 Y CB 0.852 39.442 38.460 0.217 0.000 1.314 351 Y HN 0.542 nan 8.280 nan 0.000 0.453 352 I N 2.403 123.258 120.570 0.474 0.000 2.571 352 I HA 0.368 4.590 4.170 0.085 0.000 0.289 352 I C -1.201 175.056 176.117 0.233 0.000 1.115 352 I CA -0.998 60.484 61.300 0.302 0.000 1.045 352 I CB 2.433 40.587 38.000 0.255 0.000 1.238 352 I HN 0.558 nan 8.210 nan 0.000 0.424 353 K N 5.056 125.586 120.400 0.216 0.000 2.234 353 K HA 0.519 4.890 4.320 0.085 0.000 0.277 353 K C -0.887 175.750 176.600 0.062 0.000 1.038 353 K CA -0.544 55.802 56.287 0.099 0.000 0.888 353 K CB 2.038 34.601 32.500 0.105 0.000 1.091 353 K HN 0.280 nan 8.250 nan 0.000 0.467 354 V N 4.623 124.552 119.914 0.025 0.000 2.304 354 V HA 0.077 4.248 4.120 0.085 0.000 0.269 354 V C 0.403 176.502 176.094 0.008 0.000 1.036 354 V CA -0.589 61.722 62.300 0.019 0.000 0.840 354 V CB 0.708 32.536 31.823 0.008 0.000 1.036 354 V HN 0.753 nan 8.190 nan 0.000 0.466 355 N N 3.293 122.001 118.700 0.012 0.000 2.402 355 N HA 0.068 4.859 4.740 0.085 0.000 0.174 355 N C 0.510 176.023 175.510 0.004 0.000 1.027 355 N CA 0.335 53.389 53.050 0.007 0.000 0.891 355 N CB 0.905 39.398 38.487 0.011 0.000 1.016 355 N HN 0.793 nan 8.380 nan 0.000 0.439 356 E N 0.027 120.231 120.200 0.005 0.000 2.642 356 E HA 0.139 4.540 4.350 0.085 0.000 0.374 356 E C -0.403 176.199 176.600 0.004 0.000 0.961 356 E CA -0.163 56.239 56.400 0.003 0.000 0.748 356 E CB 0.582 30.283 29.700 0.002 0.000 1.516 356 E HN -0.039 nan 8.360 nan 0.000 0.388 357 R N 1.821 122.324 120.500 0.004 0.000 2.377 357 R HA -0.028 4.364 4.340 0.085 0.000 0.207 357 R C 1.265 177.566 176.300 0.003 0.000 1.075 357 R CA 0.976 57.079 56.100 0.004 0.000 1.035 357 R CB 0.036 30.338 30.300 0.004 0.000 0.857 357 R HN 0.272 nan 8.270 nan 0.000 0.475 358 A N 0.873 123.694 122.820 0.001 0.000 2.278 358 A HA 0.056 4.427 4.320 0.085 0.000 0.212 358 A C 0.751 178.335 177.584 -0.000 0.000 1.213 358 A CA 0.374 52.411 52.037 0.000 0.000 0.840 358 A CB 0.338 19.338 19.000 -0.000 0.000 0.866 358 A HN -0.026 nan 8.150 nan 0.000 0.489 359 K N -0.554 119.847 120.400 0.000 0.000 2.619 359 K HA 0.287 4.658 4.320 0.085 0.000 0.201 359 K C 1.098 177.697 176.600 -0.001 0.000 1.090 359 K CA 0.350 56.636 56.287 -0.001 0.000 1.063 359 K CB -0.085 32.414 32.500 -0.001 0.000 0.810 359 K HN 0.450 nan 8.250 nan 0.000 0.506 360 G N 2.303 111.103 108.800 0.001 0.000 2.672 360 G HA2 -0.375 3.636 3.960 0.085 0.000 0.324 360 G HA3 -0.375 3.636 3.960 0.085 0.000 0.324 360 G C 0.892 175.792 174.900 0.001 0.000 1.286 360 G CA 0.422 45.522 45.100 0.001 0.000 1.004 360 G HN 0.288 nan 8.290 nan 0.000 0.548 361 L N 1.943 123.164 121.223 -0.004 0.000 2.131 361 L HA -0.025 4.367 4.340 0.085 0.000 0.210 361 L C 2.849 179.714 176.870 -0.009 0.000 1.092 361 L CA 3.139 57.974 54.840 -0.008 0.000 0.759 361 L CB -1.386 40.662 42.059 -0.018 0.000 0.903 361 L HN 0.691 nan 8.230 nan 0.000 0.435 362 E N -0.563 119.632 120.200 -0.008 0.000 2.268 362 E HA -0.096 4.305 4.350 0.085 0.000 0.195 362 E C 1.975 178.574 176.600 -0.002 0.000 0.995 362 E CA 1.001 57.397 56.400 -0.008 0.000 0.836 362 E CB -0.603 29.093 29.700 -0.008 0.000 0.763 362 E HN 0.539 nan 8.360 nan 0.000 0.491 363 G N 1.386 110.187 108.800 0.002 0.000 2.985 363 G HA2 0.228 4.239 3.960 0.085 0.000 0.209 363 G HA3 0.228 4.239 3.960 0.085 0.000 0.209 363 G C 0.675 175.582 174.900 0.012 0.000 1.165 363 G CA 0.107 45.211 45.100 0.006 0.000 0.776 363 G HN 0.294 nan 8.290 nan 0.000 0.541 364 I N -2.299 118.279 120.570 0.014 0.000 2.569 364 I HA 0.649 4.870 4.170 0.085 0.000 0.296 364 I C -1.177 174.955 176.117 0.023 0.000 1.028 364 I CA -2.000 59.315 61.300 0.026 0.000 1.082 364 I CB 2.203 40.222 38.000 0.031 0.000 1.264 364 I HN -0.111 nan 8.210 nan 0.000 0.429 365 N N 3.358 122.087 118.700 0.047 0.000 2.342 365 N HA 0.787 5.578 4.740 0.085 0.000 0.293 365 N C -1.318 174.223 175.510 0.051 0.000 1.026 365 N CA -0.144 52.935 53.050 0.047 0.000 0.857 365 N CB 1.490 40.023 38.487 0.077 0.000 1.256 365 N HN 0.894 nan 8.380 nan 0.000 0.484 366 S N 2.727 118.407 115.700 -0.033 0.000 2.579 366 S HA 0.353 4.875 4.470 0.085 0.000 0.290 366 S C -2.479 171.986 174.600 -0.226 0.000 1.123 366 S CA -0.887 57.218 58.200 -0.159 0.000 0.894 366 S CB 1.175 64.300 63.200 -0.124 0.000 1.095 366 S HN 0.483 nan 8.310 nan 0.000 0.450 367 P HA -0.005 nan 4.420 nan 0.000 0.228 367 P C 0.870 178.044 177.300 -0.211 0.000 1.151 367 P CA 1.017 63.974 63.100 -0.238 0.000 0.770 367 P CB 0.060 31.607 31.700 -0.255 0.000 0.786 368 V N -6.347 113.427 119.914 -0.234 0.000 3.330 368 V HA 0.519 4.690 4.120 0.085 0.000 0.309 368 V C 1.675 177.662 176.094 -0.178 0.000 1.481 368 V CA 0.416 62.611 62.300 -0.176 0.000 1.068 368 V CB -0.520 31.121 31.823 -0.304 0.000 0.935 368 V HN -0.072 nan 8.190 nan 0.000 0.453 369 A N 2.710 125.412 122.820 -0.196 0.000 1.940 369 A HA -0.185 4.187 4.320 0.085 0.000 0.219 369 A C 2.191 179.653 177.584 -0.203 0.000 1.176 369 A CA 2.338 54.285 52.037 -0.149 0.000 0.631 369 A CB -0.458 18.470 19.000 -0.120 0.000 0.814 369 A HN 0.814 nan 8.150 nan 0.000 0.446 370 K N -1.730 118.451 120.400 -0.366 0.000 2.283 370 K HA -0.073 4.299 4.320 0.085 0.000 0.202 370 K C 1.323 177.648 176.600 -0.458 0.000 1.048 370 K CA 1.449 57.472 56.287 -0.439 0.000 0.948 370 K CB -0.411 31.737 32.500 -0.586 0.000 0.742 370 K HN 0.372 nan 8.250 nan 0.000 0.458 371 F N 1.314 121.117 119.950 -0.244 0.000 2.270 371 F HA 0.069 4.647 4.527 0.085 0.000 0.295 371 F C 1.471 177.210 175.800 -0.103 0.000 1.087 371 F CA 0.102 57.966 58.000 -0.227 0.000 1.365 371 F CB -0.264 38.438 39.000 -0.496 0.000 1.056 371 F HN -0.131 nan 8.300 nan 0.000 0.506 372 L N 0.153 121.422 121.223 0.076 0.000 2.788 372 L HA 0.228 4.619 4.340 0.085 0.000 0.151 372 L C 0.452 177.336 176.870 0.024 0.000 1.548 372 L CA -0.056 54.829 54.840 0.074 0.000 2.184 372 L CB -0.918 41.179 42.059 0.063 0.000 2.730 372 L HN 0.270 nan 8.230 nan 0.000 0.588 373 N N -2.640 116.069 118.700 0.015 0.000 3.356 373 N HA 0.122 4.913 4.740 0.085 0.000 0.246 373 N C 0.211 175.722 175.510 0.003 0.000 1.480 373 N CA 0.110 53.160 53.050 -0.000 0.000 0.877 373 N CB 1.052 39.544 38.487 0.007 0.000 1.431 373 N HN 0.318 nan 8.380 nan 0.000 0.500 374 A N 0.564 123.382 122.820 -0.003 0.000 1.903 374 A HA -0.271 4.101 4.320 0.085 0.000 0.219 374 A C 1.923 179.512 177.584 0.008 0.000 1.191 374 A CA 2.504 54.541 52.037 0.000 0.000 0.638 374 A CB -1.060 17.938 19.000 -0.003 0.000 0.823 374 A HN 0.855 nan 8.150 nan 0.000 0.451 375 E N -0.388 119.818 120.200 0.010 0.000 2.015 375 E HA -0.147 4.254 4.350 0.085 0.000 0.191 375 E C 1.938 178.550 176.600 0.019 0.000 0.991 375 E CA 1.242 57.649 56.400 0.013 0.000 0.802 375 E CB -0.277 29.431 29.700 0.013 0.000 0.759 375 E HN 0.614 nan 8.360 nan 0.000 0.447 376 I N 1.149 121.734 120.570 0.024 0.000 2.248 376 I HA -0.305 3.917 4.170 0.085 0.000 0.248 376 I C 2.342 178.481 176.117 0.036 0.000 1.107 376 I CA 1.105 62.424 61.300 0.031 0.000 1.373 376 I CB -0.257 37.768 38.000 0.042 0.000 1.055 376 I HN 0.298 nan 8.210 nan 0.000 0.418 377 I N 0.074 120.664 120.570 0.034 0.000 2.546 377 I HA -0.201 4.020 4.170 0.085 0.000 0.255 377 I C 2.465 178.607 176.117 0.041 0.000 1.163 377 I CA 0.831 62.156 61.300 0.043 0.000 1.457 377 I CB -0.265 37.754 38.000 0.032 0.000 1.092 377 I HN 0.193 nan 8.210 nan 0.000 0.434 378 E N 1.398 121.615 120.200 0.028 0.000 2.072 378 E HA -0.192 4.209 4.350 0.085 0.000 0.190 378 E C 1.682 178.296 176.600 0.023 0.000 0.982 378 E CA 1.344 57.758 56.400 0.022 0.000 0.803 378 E CB -0.057 29.652 29.700 0.014 0.000 0.755 378 E HN 0.327 nan 8.360 nan 0.000 0.453 379 D N -0.158 120.257 120.400 0.024 0.000 2.144 379 D HA -0.099 4.592 4.640 0.085 0.000 0.200 379 D C 2.021 178.338 176.300 0.029 0.000 0.978 379 D CA 0.784 54.797 54.000 0.021 0.000 0.833 379 D CB -0.054 40.757 40.800 0.019 0.000 0.961 379 D HN 0.305 nan 8.370 nan 0.000 0.470 380 I N 0.653 121.253 120.570 0.051 0.000 2.315 380 I HA -0.203 4.018 4.170 0.085 0.000 0.248 380 I C 2.377 178.531 176.117 0.062 0.000 1.117 380 I CA 0.612 61.962 61.300 0.082 0.000 1.404 380 I CB -0.035 38.058 38.000 0.156 0.000 1.071 380 I HN -0.034 nan 8.210 nan 0.000 0.419 381 L N -0.069 121.185 121.223 0.050 0.000 2.044 381 L HA -0.175 4.217 4.340 0.085 0.000 0.205 381 L C 2.123 178.999 176.870 0.009 0.000 1.075 381 L CA 1.199 56.056 54.840 0.029 0.000 0.747 381 L CB -0.673 41.403 42.059 0.028 0.000 0.903 381 L HN 0.177 nan 8.230 nan 0.000 0.435 382 D N 0.145 120.551 120.400 0.009 0.000 2.087 382 D HA -0.216 4.476 4.640 0.085 0.000 0.192 382 D C 2.205 178.501 176.300 -0.007 0.000 0.993 382 D CA 1.185 55.185 54.000 0.000 0.000 0.828 382 D CB -0.090 40.711 40.800 0.002 0.000 0.968 382 D HN 0.001 nan 8.370 nan 0.000 0.448 383 R N -0.175 120.322 120.500 -0.004 0.000 2.133 383 R HA -0.132 4.259 4.340 0.085 0.000 0.247 383 R C 1.808 178.090 176.300 -0.030 0.000 1.151 383 R CA 2.052 58.143 56.100 -0.015 0.000 0.971 383 R CB -0.360 29.934 30.300 -0.009 0.000 0.866 383 R HN 0.360 nan 8.270 nan 0.000 0.447 384 T N -3.286 111.250 114.554 -0.029 0.000 3.081 384 T HA 0.347 4.749 4.350 0.085 0.000 0.250 384 T C 0.806 175.480 174.700 -0.043 0.000 1.100 384 T CA 0.241 62.310 62.100 -0.051 0.000 1.038 384 T CB 0.297 69.124 68.868 -0.069 0.000 0.962 384 T HN 0.322 nan 8.240 nan 0.000 0.516 385 A N 0.872 123.675 122.820 -0.028 0.000 2.640 385 A HA 0.116 4.487 4.320 0.085 0.000 0.300 385 A C 0.833 178.402 177.584 -0.026 0.000 1.499 385 A CA 0.373 52.396 52.037 -0.024 0.000 0.759 385 A CB -2.395 16.590 19.000 -0.026 0.000 1.048 385 A HN 1.610 nan 8.150 nan 0.000 0.450 386 A N 0.392 123.198 122.820 -0.024 0.000 2.483 386 A HA 0.494 4.865 4.320 0.085 0.000 0.238 386 A C 0.665 178.237 177.584 -0.020 0.000 1.070 386 A CA 0.295 52.317 52.037 -0.026 0.000 0.770 386 A CB 0.187 19.177 19.000 -0.017 0.000 1.008 386 A HN 0.748 nan 8.150 nan 0.000 0.497 387 Q N 0.944 120.729 119.800 -0.024 0.000 2.257 387 Q HA 0.326 4.718 4.340 0.085 0.000 0.262 387 Q C -1.234 174.756 176.000 -0.016 0.000 0.997 387 Q CA -0.787 55.005 55.803 -0.018 0.000 0.873 387 Q CB 1.143 29.869 28.738 -0.020 0.000 1.312 387 Q HN 0.721 nan 8.270 nan 0.000 0.450 388 D N 0.395 120.788 120.400 -0.011 0.000 2.450 388 D HA 0.331 5.023 4.640 0.085 0.000 0.247 388 D C 0.979 177.272 176.300 -0.012 0.000 1.162 388 D CA 1.315 55.310 54.000 -0.009 0.000 0.879 388 D CB 0.263 41.060 40.800 -0.006 0.000 1.163 388 D HN 0.791 nan 8.370 nan 0.000 0.472 389 G N 1.600 110.392 108.800 -0.013 0.000 2.131 389 G HA2 -0.211 3.800 3.960 0.085 0.000 0.223 389 G HA3 -0.211 3.800 3.960 0.085 0.000 0.223 389 G C -0.404 174.479 174.900 -0.030 0.000 0.990 389 G CA -0.493 44.596 45.100 -0.018 0.000 0.671 389 G HN 0.504 nan 8.290 nan 0.000 0.521 390 D N -0.172 120.206 120.400 -0.036 0.000 2.198 390 D HA 0.715 5.407 4.640 0.085 0.000 0.247 390 D C 0.291 176.538 176.300 -0.087 0.000 1.010 390 D CA -0.338 53.627 54.000 -0.058 0.000 0.880 390 D CB 1.475 42.243 40.800 -0.053 0.000 1.209 390 D HN 0.217 nan 8.370 nan 0.000 0.451 391 M N 1.930 121.439 119.600 -0.151 0.000 2.472 391 M HA 0.553 5.084 4.480 0.085 0.000 0.331 391 M C -1.652 174.449 176.300 -0.331 0.000 1.170 391 M CA -0.347 54.790 55.300 -0.273 0.000 1.009 391 M CB 1.203 33.541 32.600 -0.436 0.000 1.672 391 M HN 0.328 nan 8.290 nan 0.000 0.453 392 I N 4.890 125.261 120.570 -0.332 0.000 2.476 392 I HA 0.330 4.551 4.170 0.085 0.000 0.281 392 I C -1.353 174.575 176.117 -0.314 0.000 1.040 392 I CA -0.458 60.651 61.300 -0.319 0.000 1.094 392 I CB 0.860 38.752 38.000 -0.181 0.000 1.219 392 I HN 0.511 nan 8.210 nan 0.000 0.450 393 F N 5.288 125.167 119.950 -0.119 0.000 2.378 393 F HA 0.571 5.149 4.527 0.085 0.000 0.325 393 F C -0.160 175.505 175.800 -0.225 0.000 1.097 393 F CA -0.394 57.621 58.000 0.026 0.000 1.079 393 F CB 0.939 39.946 39.000 0.011 0.000 1.240 393 F HN 0.136 nan 8.300 nan 0.000 0.519 394 F N 0.084 120.244 119.950 0.350 0.000 2.556 394 F HA 0.629 5.208 4.527 0.087 0.000 0.314 394 F C 0.293 176.209 175.800 0.193 0.000 1.106 394 F CA -1.221 56.900 58.000 0.201 0.000 0.911 394 F CB 2.079 41.194 39.000 0.192 0.000 1.190 394 F HN 0.474 nan 8.300 nan 0.000 0.448 395 G N 1.438 110.388 108.800 0.251 0.000 2.574 395 G HA2 0.668 4.679 3.960 0.085 0.000 0.306 395 G HA3 0.668 4.679 3.960 0.085 0.000 0.306 395 G C -1.608 173.379 174.900 0.145 0.000 1.334 395 G CA -0.788 44.412 45.100 0.167 0.000 0.954 395 G HN 0.858 nan 8.290 nan 0.000 0.500 396 A N 2.862 125.780 122.820 0.163 0.000 2.332 396 A HA 0.853 5.224 4.320 0.085 0.000 0.300 396 A C -0.619 177.010 177.584 0.075 0.000 1.153 396 A CA -0.508 51.603 52.037 0.123 0.000 0.764 396 A CB 1.659 20.793 19.000 0.224 0.000 1.174 396 A HN 0.637 nan 8.150 nan 0.000 0.467 397 D N 0.188 120.613 120.400 0.041 0.000 4.216 397 D HA 0.017 4.708 4.640 0.085 0.000 0.363 397 D C -1.046 175.262 176.300 0.014 0.000 1.625 397 D CA -0.382 53.631 54.000 0.022 0.000 0.968 397 D CB 0.386 41.200 40.800 0.023 0.000 1.502 397 D HN 0.590 nan 8.370 nan 0.000 0.617 398 N N 0.905 119.612 118.700 0.011 0.000 2.520 398 N HA 0.088 4.879 4.740 0.085 0.000 0.273 398 N C 0.783 176.300 175.510 0.011 0.000 1.155 398 N CA 0.318 53.374 53.050 0.011 0.000 0.967 398 N CB 1.016 39.511 38.487 0.012 0.000 1.092 398 N HN 0.236 nan 8.380 nan 0.000 0.457 399 K N 2.092 122.499 120.400 0.011 0.000 2.077 399 K HA -0.297 4.074 4.320 0.085 0.000 0.213 399 K C 1.469 178.074 176.600 0.007 0.000 1.051 399 K CA 1.886 58.177 56.287 0.007 0.000 0.929 399 K CB -0.088 32.421 32.500 0.014 0.000 0.715 399 K HN 0.664 nan 8.250 nan 0.000 0.451 400 K N 0.738 121.150 120.400 0.019 0.000 2.097 400 K HA -0.110 4.261 4.320 0.085 0.000 0.205 400 K C 1.931 178.542 176.600 0.019 0.000 1.050 400 K CA 0.979 57.280 56.287 0.024 0.000 0.938 400 K CB 0.130 32.653 32.500 0.037 0.000 0.718 400 K HN -0.016 nan 8.250 nan 0.000 0.442 401 I N 1.113 121.694 120.570 0.019 0.000 2.286 401 I HA -0.175 4.046 4.170 0.085 0.000 0.245 401 I C 2.325 178.444 176.117 0.004 0.000 1.104 401 I CA 0.805 62.119 61.300 0.023 0.000 1.397 401 I CB -0.965 37.048 38.000 0.022 0.000 1.072 401 I HN 0.021 nan 8.210 nan 0.000 0.417 402 V N 1.563 121.475 119.914 -0.003 0.000 2.261 402 V HA -0.239 3.932 4.120 0.085 0.000 0.246 402 V C 2.897 178.964 176.094 -0.046 0.000 1.047 402 V CA 1.892 64.182 62.300 -0.017 0.000 1.015 402 V CB -1.141 30.677 31.823 -0.009 0.000 0.642 402 V HN 0.435 nan 8.190 nan 0.000 0.446 403 A N -0.064 122.730 122.820 -0.044 0.000 1.865 403 A HA -0.307 4.064 4.320 0.085 0.000 0.217 403 A C 1.994 179.527 177.584 -0.084 0.000 1.191 403 A CA 2.358 54.356 52.037 -0.063 0.000 0.623 403 A CB -0.845 18.122 19.000 -0.056 0.000 0.826 403 A HN 0.544 nan 8.150 nan 0.000 0.444 404 D N -0.280 120.085 120.400 -0.059 0.000 2.103 404 D HA -0.093 4.598 4.640 0.085 0.000 0.190 404 D C 2.245 178.367 176.300 -0.298 0.000 0.997 404 D CA 2.038 55.993 54.000 -0.075 0.000 0.833 404 D CB -0.421 40.413 40.800 0.057 0.000 0.961 404 D HN 0.419 nan 8.370 nan 0.000 0.447 405 A N -0.053 122.626 122.820 -0.235 0.000 1.930 405 A HA -0.052 4.319 4.320 0.085 0.000 0.215 405 A C 2.051 179.459 177.584 -0.294 0.000 1.176 405 A CA 0.954 52.761 52.037 -0.383 0.000 0.632 405 A CB -0.233 18.691 19.000 -0.127 0.000 0.819 405 A HN 0.087 nan 8.150 nan 0.000 0.445 406 M N -0.382 119.123 119.600 -0.159 0.000 2.319 406 M HA -0.002 4.529 4.480 0.085 0.000 0.265 406 M C 2.126 178.363 176.300 -0.105 0.000 1.068 406 M CA 1.170 56.410 55.300 -0.101 0.000 1.118 406 M CB -1.573 30.988 32.600 -0.065 0.000 1.395 406 M HN 0.456 nan 8.290 nan 0.000 0.435 407 G N -0.700 108.021 108.800 -0.133 0.000 2.572 407 G HA2 0.135 4.146 3.960 0.085 0.000 0.216 407 G HA3 0.135 4.146 3.960 0.085 0.000 0.216 407 G C 1.582 176.408 174.900 -0.123 0.000 1.133 407 G CA 0.850 45.890 45.100 -0.099 0.000 0.791 407 G HN 0.506 nan 8.290 nan 0.000 0.538 408 A N 0.627 123.315 122.820 -0.220 0.000 1.878 408 A HA 0.267 4.639 4.320 0.085 0.000 0.213 408 A C 2.152 179.822 177.584 0.143 0.000 1.192 408 A CA 0.860 52.797 52.037 -0.167 0.000 0.619 408 A CB -0.407 18.114 19.000 -0.799 0.000 0.837 408 A HN 0.307 nan 8.150 nan 0.000 0.446 409 L N 0.270 121.606 121.223 0.188 0.000 2.201 409 L HA -0.085 4.306 4.340 0.085 0.000 0.212 409 L C 2.278 179.097 176.870 -0.085 0.000 1.105 409 L CA 2.103 57.034 54.840 0.152 0.000 0.775 409 L CB -0.886 41.208 42.059 0.059 0.000 0.913 409 L HN 0.580 nan 8.230 nan 0.000 0.440 410 R N -0.363 120.099 120.500 -0.064 0.000 2.092 410 R HA -0.123 4.268 4.340 0.085 0.000 0.231 410 R C 2.298 178.552 176.300 -0.077 0.000 1.119 410 R CA 1.178 57.237 56.100 -0.069 0.000 0.970 410 R CB -0.067 30.211 30.300 -0.036 0.000 0.864 410 R HN 0.425 nan 8.270 nan 0.000 0.440 411 L N 0.471 121.650 121.223 -0.073 0.000 2.095 411 L HA -0.056 4.336 4.340 0.085 0.000 0.204 411 L C 2.712 179.518 176.870 -0.107 0.000 1.080 411 L CA 1.189 55.978 54.840 -0.085 0.000 0.759 411 L CB -0.405 41.608 42.059 -0.077 0.000 0.914 411 L HN 0.189 nan 8.230 nan 0.000 0.439 412 K N 0.253 120.564 120.400 -0.148 0.000 2.026 412 K HA -0.154 4.217 4.320 0.085 0.000 0.208 412 K C 1.944 178.447 176.600 -0.160 0.000 1.048 412 K CA 1.322 57.475 56.287 -0.223 0.000 0.929 412 K CB -0.011 32.172 32.500 -0.530 0.000 0.713 412 K HN 0.040 nan 8.250 nan 0.000 0.439 413 V N 0.683 120.475 119.914 -0.204 0.000 2.867 413 V HA -0.168 4.003 4.120 0.085 0.000 0.260 413 V C 2.171 178.215 176.094 -0.083 0.000 1.099 413 V CA 1.920 64.114 62.300 -0.177 0.000 1.122 413 V CB -0.543 31.108 31.823 -0.286 0.000 0.708 413 V HN 0.588 nan 8.190 nan 0.000 0.490 414 G N -0.063 108.685 108.800 -0.086 0.000 2.394 414 G HA2 -0.160 3.851 3.960 0.085 0.000 0.215 414 G HA3 -0.160 3.851 3.960 0.085 0.000 0.215 414 G C 1.650 176.517 174.900 -0.055 0.000 1.165 414 G CA 0.484 45.545 45.100 -0.066 0.000 0.784 414 G HN 0.490 nan 8.290 nan 0.000 0.535 415 K N 0.463 120.827 120.400 -0.060 0.000 2.007 415 K HA -0.003 4.368 4.320 0.085 0.000 0.206 415 K C 2.127 178.708 176.600 -0.032 0.000 1.047 415 K CA 1.131 57.387 56.287 -0.051 0.000 0.937 415 K CB -0.229 32.236 32.500 -0.058 0.000 0.718 415 K HN 0.058 nan 8.250 nan 0.000 0.438 416 D N 1.683 122.073 120.400 -0.018 0.000 2.156 416 D HA -0.193 4.499 4.640 0.085 0.000 0.190 416 D C 1.689 177.998 176.300 0.016 0.000 0.998 416 D CA 1.244 55.251 54.000 0.013 0.000 0.842 416 D CB -0.456 40.393 40.800 0.081 0.000 0.974 416 D HN 0.072 nan 8.370 nan 0.000 0.447 417 L N 0.113 121.352 121.223 0.026 0.000 2.700 417 L HA 0.076 4.467 4.340 0.085 0.000 0.240 417 L C 1.062 177.929 176.870 -0.005 0.000 1.162 417 L CA 0.521 55.372 54.840 0.017 0.000 0.874 417 L CB -1.300 40.772 42.059 0.021 0.000 1.001 417 L HN 0.198 nan 8.230 nan 0.000 0.447 418 G N 0.964 109.756 108.800 -0.015 0.000 2.366 418 G HA2 -0.285 3.727 3.960 0.085 0.000 0.299 418 G HA3 -0.285 3.727 3.960 0.085 0.000 0.299 418 G C 0.670 175.553 174.900 -0.028 0.000 1.020 418 G CA 0.302 45.388 45.100 -0.024 0.000 1.026 418 G HN 0.455 nan 8.290 nan 0.000 0.512 419 L N -0.722 120.482 121.223 -0.032 0.000 2.609 419 L HA 0.192 4.583 4.340 0.085 0.000 0.230 419 L C 1.290 178.133 176.870 -0.044 0.000 1.087 419 L CA 0.615 55.435 54.840 -0.034 0.000 0.874 419 L CB 0.387 42.427 42.059 -0.032 0.000 1.114 419 L HN 0.259 nan 8.230 nan 0.000 0.488 420 T N -0.380 114.142 114.554 -0.054 0.000 2.806 420 T HA 0.118 4.519 4.350 0.085 0.000 0.290 420 T C -0.422 174.234 174.700 -0.074 0.000 0.966 420 T CA -0.296 61.762 62.100 -0.070 0.000 1.060 420 T CB 1.631 70.449 68.868 -0.083 0.000 0.927 420 T HN -0.079 nan 8.240 nan 0.000 0.485 421 D N 2.408 122.757 120.400 -0.084 0.000 2.524 421 D HA 0.115 4.806 4.640 0.085 0.000 0.222 421 D C 1.274 177.498 176.300 -0.127 0.000 1.142 421 D CA -0.395 53.551 54.000 -0.090 0.000 0.973 421 D CB 0.354 41.107 40.800 -0.077 0.000 1.025 421 D HN 0.403 nan 8.370 nan 0.000 0.519 422 E N 0.914 121.039 120.200 -0.126 0.000 2.339 422 E HA -0.159 4.243 4.350 0.085 0.000 0.201 422 E C 1.108 177.573 176.600 -0.225 0.000 1.015 422 E CA 0.688 56.992 56.400 -0.160 0.000 0.841 422 E CB 0.146 29.774 29.700 -0.120 0.000 0.754 422 E HN 0.383 nan 8.360 nan 0.000 0.508 423 S N -0.051 115.534 115.700 -0.192 0.000 2.496 423 S HA -0.004 4.517 4.470 0.085 0.000 0.224 423 S C 0.980 175.398 174.600 -0.304 0.000 0.996 423 S CA 0.366 58.439 58.200 -0.212 0.000 0.927 423 S CB 0.314 63.447 63.200 -0.112 0.000 0.774 423 S HN 0.044 nan 8.310 nan 0.000 0.524 424 K N 0.328 120.561 120.400 -0.279 0.000 2.098 424 K HA 0.271 4.643 4.320 0.085 0.000 0.244 424 K C -1.207 175.123 176.600 -0.449 0.000 1.014 424 K CA -0.321 55.813 56.287 -0.254 0.000 0.917 424 K CB 0.599 33.026 32.500 -0.121 0.000 1.072 424 K HN 0.175 nan 8.250 nan 0.000 0.477 425 W N 0.020 121.285 121.300 -0.058 0.000 2.475 425 W HA 0.474 5.187 4.660 0.088 0.000 0.317 425 W C -0.334 176.072 176.519 -0.189 0.000 1.046 425 W CA -0.697 56.581 57.345 -0.112 0.000 1.215 425 W CB 1.596 30.975 29.460 -0.135 0.000 1.335 425 W HN 0.506 nan 8.180 nan 0.000 0.471 426 A N 6.057 128.864 122.820 -0.022 0.000 2.664 426 A HA 0.529 4.900 4.320 0.085 0.000 0.338 426 A C -2.644 174.796 177.584 -0.239 0.000 1.280 426 A CA -1.471 50.486 52.037 -0.134 0.000 0.809 426 A CB 0.197 19.110 19.000 -0.146 0.000 1.114 426 A HN 0.287 nan 8.150 nan 0.000 0.479 427 P HA 0.741 nan 4.420 nan 0.000 0.287 427 P C -0.700 176.246 177.300 -0.589 0.000 1.270 427 P CA -0.407 62.252 63.100 -0.735 0.000 0.844 427 P CB 1.951 32.746 31.700 -1.509 0.000 1.068 428 L N -1.749 119.223 121.223 -0.418 0.000 2.940 428 L HA 0.653 5.044 4.340 0.085 0.000 0.270 428 L C -2.025 174.812 176.870 -0.054 0.000 1.030 428 L CA -1.021 53.760 54.840 -0.098 0.000 0.928 428 L CB 1.511 43.554 42.059 -0.027 0.000 1.506 428 L HN 0.239 nan 8.230 nan 0.000 0.405 429 W N 1.065 122.504 121.300 0.231 0.000 2.417 429 W HA 0.730 5.423 4.660 0.056 0.000 0.315 429 W C -0.863 175.787 176.519 0.219 0.000 1.045 429 W CA -0.738 56.754 57.345 0.244 0.000 1.221 429 W CB 2.215 31.802 29.460 0.212 0.000 1.309 429 W HN 0.238 nan 8.180 nan 0.000 0.453 430 V N 6.683 126.912 119.914 0.525 0.000 2.347 430 V HA 0.440 4.611 4.120 0.085 0.000 0.280 430 V C 0.299 176.768 176.094 0.625 0.000 1.021 430 V CA -0.732 61.828 62.300 0.433 0.000 0.847 430 V CB 0.257 32.304 31.823 0.374 0.000 0.990 430 V HN 0.493 nan 8.190 nan 0.000 0.444 431 I N 0.366 121.191 120.570 0.424 0.000 3.294 431 I HA 0.756 4.977 4.170 0.085 0.000 0.311 431 I C -0.319 175.975 176.117 0.294 0.000 1.111 431 I CA -0.837 60.728 61.300 0.442 0.000 0.976 431 I CB 2.199 40.367 38.000 0.280 0.000 1.260 431 I HN 0.475 nan 8.210 nan 0.000 0.474 432 D N 1.073 121.633 120.400 0.267 0.000 2.739 432 D HA -0.166 4.525 4.640 0.085 0.000 0.240 432 D C -0.864 175.496 176.300 0.100 0.000 1.114 432 D CA 0.883 54.968 54.000 0.141 0.000 0.695 432 D CB -1.209 39.643 40.800 0.087 0.000 1.078 432 D HN 0.408 nan 8.370 nan 0.000 0.434 433 F N 0.299 120.223 119.950 -0.043 0.000 2.403 433 F HA 0.384 4.960 4.527 0.082 0.000 0.320 433 F C -1.184 174.405 175.800 -0.350 0.000 1.176 433 F CA -1.444 56.402 58.000 -0.256 0.000 1.206 433 F CB 0.272 39.200 39.000 -0.119 0.000 1.235 433 F HN -0.147 nan 8.300 nan 0.000 0.565 434 P HA 0.105 nan 4.420 nan 0.000 0.279 434 P C 0.160 177.297 177.300 -0.272 0.000 1.252 434 P CA -0.274 62.665 63.100 -0.268 0.000 0.811 434 P CB 0.960 32.480 31.700 -0.300 0.000 1.035 435 M N -0.123 119.226 119.600 -0.418 0.000 2.156 435 M HA 0.047 4.578 4.480 0.085 0.000 0.264 435 M C 0.441 176.163 176.300 -0.963 0.000 1.067 435 M CA 1.780 56.595 55.300 -0.809 0.000 1.131 435 M CB -0.578 31.249 32.600 -1.290 0.000 1.368 435 M HN 0.275 nan 8.290 nan 0.000 0.416 436 F N 0.254 120.168 119.950 -0.061 0.000 2.631 436 F HA 0.428 5.007 4.527 0.087 0.000 0.328 436 F C 0.189 175.968 175.800 -0.036 0.000 1.067 436 F CA -1.492 56.481 58.000 -0.044 0.000 0.969 436 F CB 1.052 40.030 39.000 -0.037 0.000 1.332 436 F HN -0.017 nan 8.300 nan 0.000 0.490 437 E N -0.091 120.223 120.200 0.190 0.000 2.340 437 E HA 0.299 4.701 4.350 0.085 0.000 0.273 437 E C -1.860 174.804 176.600 0.106 0.000 0.891 437 E CA -0.980 55.487 56.400 0.112 0.000 0.757 437 E CB 2.322 32.071 29.700 0.082 0.000 1.231 437 E HN 0.493 nan 8.360 nan 0.000 0.439 438 D N 1.937 122.385 120.400 0.079 0.000 2.493 438 D HA -0.083 4.609 4.640 0.085 0.000 0.240 438 D C 0.291 176.620 176.300 0.048 0.000 1.142 438 D CA 0.170 54.202 54.000 0.054 0.000 0.872 438 D CB 0.876 41.703 40.800 0.044 0.000 1.173 438 D HN 0.522 nan 8.370 nan 0.000 0.467 439 D N 2.296 122.716 120.400 0.034 0.000 2.328 439 D HA 0.144 4.835 4.640 0.085 0.000 0.221 439 D C 1.545 177.858 176.300 0.022 0.000 1.072 439 D CA 0.331 54.350 54.000 0.031 0.000 0.850 439 D CB -0.331 40.485 40.800 0.026 0.000 0.922 439 D HN 0.599 nan 8.370 nan 0.000 0.516 440 G N 0.465 109.277 108.800 0.020 0.000 2.196 440 G HA2 -0.380 3.632 3.960 0.085 0.000 0.268 440 G HA3 -0.380 3.632 3.960 0.085 0.000 0.268 440 G C 0.652 175.557 174.900 0.008 0.000 0.975 440 G CA 0.569 45.678 45.100 0.014 0.000 0.648 440 G HN 0.488 nan 8.290 nan 0.000 0.538 441 E N -1.149 119.053 120.200 0.005 0.000 2.758 441 E HA 0.447 4.848 4.350 0.085 0.000 0.215 441 E C 1.563 178.160 176.600 -0.005 0.000 0.985 441 E CA 0.543 56.943 56.400 -0.000 0.000 1.102 441 E CB 0.506 30.206 29.700 -0.000 0.000 1.042 441 E HN 1.146 nan 8.360 nan 0.000 0.480 442 G N 0.126 108.923 108.800 -0.006 0.000 2.376 442 G HA2 -0.222 3.789 3.960 0.085 0.000 0.208 442 G HA3 -0.222 3.789 3.960 0.085 0.000 0.208 442 G C 0.650 175.537 174.900 -0.021 0.000 1.032 442 G CA -0.330 44.762 45.100 -0.012 0.000 0.641 442 G HN 0.474 nan 8.290 nan 0.000 0.503 443 G N -0.511 108.276 108.800 -0.023 0.000 2.890 443 G HA2 0.735 4.746 3.960 0.085 0.000 0.189 443 G HA3 0.735 4.746 3.960 0.085 0.000 0.189 443 G C -0.532 174.344 174.900 -0.039 0.000 1.342 443 G CA -0.669 44.406 45.100 -0.041 0.000 1.026 443 G HN 0.715 nan 8.290 nan 0.000 0.579 444 L N 0.020 121.201 121.223 -0.070 0.000 2.370 444 L HA 0.607 4.998 4.340 0.085 0.000 0.266 444 L C -0.122 176.760 176.870 0.019 0.000 1.002 444 L CA -0.840 53.971 54.840 -0.048 0.000 0.818 444 L CB 2.716 44.636 42.059 -0.231 0.000 1.325 444 L HN 0.709 nan 8.230 nan 0.000 0.418 445 T N -1.127 113.501 114.554 0.122 0.000 2.907 445 T HA 0.732 5.133 4.350 0.085 0.000 0.292 445 T C -0.270 174.576 174.700 0.243 0.000 1.043 445 T CA -0.846 61.342 62.100 0.147 0.000 1.003 445 T CB 1.919 70.841 68.868 0.090 0.000 1.084 445 T HN 0.647 nan 8.240 nan 0.000 0.483 446 A N 3.611 126.546 122.820 0.192 0.000 2.492 446 A HA 0.392 4.763 4.320 0.085 0.000 0.254 446 A C 1.566 179.151 177.584 0.001 0.000 1.091 446 A CA -0.617 51.473 52.037 0.088 0.000 0.768 446 A CB -0.204 18.812 19.000 0.027 0.000 1.028 446 A HN 0.941 nan 8.150 nan 0.000 0.498 447 M N 1.202 120.758 119.600 -0.074 0.000 2.065 447 M HA -0.155 4.376 4.480 0.085 0.000 0.259 447 M C 1.566 177.775 176.300 -0.153 0.000 1.069 447 M CA 2.201 57.456 55.300 -0.075 0.000 1.110 447 M CB -1.050 31.513 32.600 -0.063 0.000 1.328 447 M HN 1.004 nan 8.290 nan 0.000 0.405 448 H N -1.484 117.427 119.070 -0.265 0.000 2.334 448 H HA 0.153 4.760 4.556 0.085 0.000 0.315 448 H C 0.382 175.615 175.328 -0.158 0.000 1.056 448 H CA 1.088 56.954 56.048 -0.303 0.000 1.418 448 H CB 0.291 29.728 29.762 -0.543 0.000 1.464 448 H HN 0.449 nan 8.280 nan 0.000 0.587 449 H N -4.301 114.775 119.070 0.010 0.000 2.951 449 H HA 0.084 4.691 4.556 0.085 0.000 0.292 449 H C -2.677 172.510 175.328 -0.236 0.000 1.412 449 H CA -1.569 54.450 56.048 -0.049 0.000 1.206 449 H CB 1.207 31.017 29.762 0.081 0.000 1.862 449 H HN -0.119 nan 8.280 nan 0.000 0.502 450 P HA -0.106 nan 4.420 nan 0.000 0.218 450 P C 0.481 177.347 177.300 -0.723 0.000 1.146 450 P CA 1.451 64.186 63.100 -0.610 0.000 0.813 450 P CB -0.139 31.025 31.700 -0.895 0.000 0.778 451 F N -2.049 118.044 119.950 0.238 0.000 2.645 451 F HA 0.203 4.780 4.527 0.084 0.000 0.300 451 F C 0.792 176.601 175.800 0.015 0.000 1.115 451 F CA -0.204 57.831 58.000 0.059 0.000 1.355 451 F CB -1.297 37.700 39.000 -0.005 0.000 1.026 451 F HN -0.330 nan 8.300 nan 0.000 0.536 452 T N 0.302 114.812 114.554 -0.073 0.000 2.832 452 T HA 0.192 4.593 4.350 0.085 0.000 0.296 452 T C 0.359 174.921 174.700 -0.231 0.000 0.968 452 T CA -0.289 61.662 62.100 -0.250 0.000 1.107 452 T CB 1.224 69.816 68.868 -0.460 0.000 0.916 452 T HN 0.179 nan 8.240 nan 0.000 0.517 453 S N 4.261 119.837 115.700 -0.206 0.000 2.584 453 S HA 0.378 4.899 4.470 0.085 0.000 0.273 453 S C -2.421 172.069 174.600 -0.183 0.000 1.311 453 S CA -1.557 56.528 58.200 -0.192 0.000 1.034 453 S CB 0.372 63.465 63.200 -0.178 0.000 0.939 453 S HN 0.419 nan 8.310 nan 0.000 0.513 454 P HA 0.250 nan 4.420 nan 0.000 0.292 454 P C 0.105 177.349 177.300 -0.094 0.000 1.287 454 P CA -0.509 62.510 63.100 -0.136 0.000 0.800 454 P CB 1.268 32.901 31.700 -0.111 0.000 0.945 455 K N 3.413 123.767 120.400 -0.077 0.000 2.032 455 K HA -0.234 4.137 4.320 0.085 0.000 0.218 455 K C 0.580 177.158 176.600 -0.037 0.000 1.054 455 K CA 2.878 59.137 56.287 -0.046 0.000 0.941 455 K CB -0.115 32.367 32.500 -0.029 0.000 0.720 455 K HN 0.584 nan 8.250 nan 0.000 0.449 456 D N -2.548 117.831 120.400 -0.034 0.000 2.583 456 D HA 0.083 4.774 4.640 0.085 0.000 0.282 456 D C -0.040 176.247 176.300 -0.022 0.000 1.485 456 D CA -0.270 53.715 54.000 -0.024 0.000 0.834 456 D CB -0.302 40.489 40.800 -0.015 0.000 1.258 456 D HN 0.094 nan 8.370 nan 0.000 0.470 457 M N 1.113 120.697 119.600 -0.026 0.000 2.235 457 M HA 0.359 4.890 4.480 0.085 0.000 0.351 457 M C -0.363 175.924 176.300 -0.022 0.000 1.178 457 M CA 0.095 55.385 55.300 -0.018 0.000 1.143 457 M CB 1.357 33.950 32.600 -0.011 0.000 1.530 457 M HN -0.084 nan 8.290 nan 0.000 0.461 458 T N 2.809 117.353 114.554 -0.016 0.000 2.899 458 T HA 0.397 4.798 4.350 0.085 0.000 0.284 458 T C 1.080 175.769 174.700 -0.018 0.000 1.004 458 T CA 0.195 62.283 62.100 -0.019 0.000 1.043 458 T CB 1.458 70.318 68.868 -0.013 0.000 1.013 458 T HN 0.827 nan 8.240 nan 0.000 0.518 459 A N 2.011 124.815 122.820 -0.026 0.000 1.927 459 A HA -0.085 4.286 4.320 0.085 0.000 0.220 459 A C 2.480 180.055 177.584 -0.015 0.000 1.185 459 A CA 2.334 54.356 52.037 -0.025 0.000 0.639 459 A CB -1.210 17.770 19.000 -0.034 0.000 0.820 459 A HN 0.928 nan 8.150 nan 0.000 0.451 460 A N -0.271 122.540 122.820 -0.014 0.000 1.845 460 A HA -0.192 4.179 4.320 0.085 0.000 0.215 460 A C 1.888 179.468 177.584 -0.006 0.000 1.195 460 A CA 1.733 53.764 52.037 -0.010 0.000 0.616 460 A CB -0.719 18.276 19.000 -0.009 0.000 0.832 460 A HN 0.622 nan 8.150 nan 0.000 0.443 461 E N -0.741 119.457 120.200 -0.004 0.000 2.160 461 E HA -0.199 4.203 4.350 0.085 0.000 0.195 461 E C 1.847 178.453 176.600 0.009 0.000 0.991 461 E CA 1.167 57.568 56.400 0.001 0.000 0.810 461 E CB -0.250 29.451 29.700 0.001 0.000 0.742 461 E HN 0.505 nan 8.360 nan 0.000 0.466 462 L N 1.246 122.477 121.223 0.013 0.000 2.093 462 L HA -0.134 4.257 4.340 0.085 0.000 0.208 462 L C 1.806 178.686 176.870 0.015 0.000 1.085 462 L CA 1.739 56.601 54.840 0.037 0.000 0.755 462 L CB -0.007 42.080 42.059 0.047 0.000 0.904 462 L HN -0.125 nan 8.230 nan 0.000 0.435 463 K N -0.733 119.664 120.400 -0.005 0.000 2.097 463 K HA -0.075 4.296 4.320 0.085 0.000 0.205 463 K C 2.096 178.683 176.600 -0.022 0.000 1.050 463 K CA 1.191 57.465 56.287 -0.023 0.000 0.938 463 K CB -0.308 32.179 32.500 -0.020 0.000 0.718 463 K HN 0.464 nan 8.250 nan 0.000 0.442 464 A N 1.109 123.923 122.820 -0.011 0.000 1.855 464 A HA 0.018 4.389 4.320 0.085 0.000 0.215 464 A C 1.378 178.959 177.584 -0.006 0.000 1.191 464 A CA 1.686 53.718 52.037 -0.008 0.000 0.613 464 A CB -0.135 18.862 19.000 -0.004 0.000 0.829 464 A HN 0.267 nan 8.150 nan 0.000 0.442 465 A N -1.118 121.704 122.820 0.004 0.000 3.317 465 A HA 0.559 4.930 4.320 0.085 0.000 0.307 465 A C -1.550 176.057 177.584 0.038 0.000 1.003 465 A CA -0.672 51.373 52.037 0.013 0.000 0.882 465 A CB 0.482 19.491 19.000 0.016 0.000 1.136 465 A HN 0.229 nan 8.150 nan 0.000 0.488 466 P HA -0.200 nan 4.420 nan 0.000 0.216 466 P C 0.737 178.165 177.300 0.212 0.000 1.150 466 P CA 1.546 64.709 63.100 0.104 0.000 0.837 466 P CB 0.319 31.936 31.700 -0.139 0.000 0.786 467 E N 0.804 121.066 120.200 0.104 0.000 2.171 467 E HA -0.192 4.209 4.350 0.085 0.000 0.197 467 E C 1.381 178.043 176.600 0.102 0.000 0.997 467 E CA 1.482 57.950 56.400 0.114 0.000 0.810 467 E CB -1.331 28.401 29.700 0.054 0.000 0.738 467 E HN 0.457 nan 8.360 nan 0.000 0.467 468 N N 0.294 119.040 118.700 0.077 0.000 2.353 468 N HA 0.177 4.969 4.740 0.085 0.000 0.185 468 N C -0.228 175.302 175.510 0.034 0.000 1.098 468 N CA 0.584 53.662 53.050 0.047 0.000 0.872 468 N CB 0.322 38.828 38.487 0.033 0.000 0.970 468 N HN 0.173 nan 8.380 nan 0.000 0.467 469 A N 0.779 123.634 122.820 0.058 0.000 2.520 469 A HA 0.271 4.643 4.320 0.085 0.000 0.245 469 A C 0.182 177.727 177.584 -0.065 0.000 1.072 469 A CA -0.170 51.873 52.037 0.010 0.000 0.761 469 A CB 0.178 19.208 19.000 0.050 0.000 1.004 469 A HN 0.028 nan 8.150 nan 0.000 0.499 470 V N 2.277 122.152 119.914 -0.065 0.000 2.567 470 V HA 0.546 4.718 4.120 0.085 0.000 0.289 470 V C 0.876 176.904 176.094 -0.111 0.000 1.049 470 V CA 0.063 62.315 62.300 -0.079 0.000 0.969 470 V CB 1.212 33.013 31.823 -0.038 0.000 0.995 470 V HN 1.147 nan 8.190 nan 0.000 0.471 471 A N 3.288 126.033 122.820 -0.125 0.000 2.282 471 A HA 0.528 4.899 4.320 0.085 0.000 0.319 471 A C 0.298 177.824 177.584 -0.097 0.000 1.121 471 A CA -0.614 51.326 52.037 -0.162 0.000 0.836 471 A CB 0.452 19.307 19.000 -0.241 0.000 1.146 471 A HN 0.714 nan 8.150 nan 0.000 0.494 472 N N 0.746 119.373 118.700 -0.123 0.000 3.188 472 N HA 0.466 5.257 4.740 0.085 0.000 0.279 472 N C -0.713 174.752 175.510 -0.075 0.000 1.213 472 N CA 0.347 53.374 53.050 -0.039 0.000 1.138 472 N CB 0.267 38.731 38.487 -0.038 0.000 1.417 472 N HN 0.760 nan 8.380 nan 0.000 0.526 473 A N 1.879 124.634 122.820 -0.107 0.000 2.435 473 A HA 0.736 5.107 4.320 0.085 0.000 0.304 473 A C -1.643 175.889 177.584 -0.087 0.000 1.064 473 A CA -0.612 51.123 52.037 -0.503 0.000 0.727 473 A CB 1.075 19.425 19.000 -1.083 0.000 1.284 473 A HN 0.370 nan 8.150 nan 0.000 0.415 474 Y N -0.800 119.410 120.300 -0.149 0.000 2.544 474 Y HA 0.772 5.375 4.550 0.089 0.000 0.342 474 Y C -1.329 174.741 175.900 0.284 0.000 1.062 474 Y CA -1.659 56.560 58.100 0.199 0.000 1.023 474 Y CB 1.200 39.743 38.460 0.139 0.000 1.308 474 Y HN 0.458 nan 8.280 nan 0.000 0.457 475 D N 2.481 123.236 120.400 0.592 0.000 2.575 475 D HA 0.407 5.098 4.640 0.085 0.000 0.236 475 D C -1.197 175.327 176.300 0.373 0.000 1.075 475 D CA -0.584 53.656 54.000 0.400 0.000 0.860 475 D CB 2.399 43.403 40.800 0.339 0.000 1.475 475 D HN 0.782 nan 8.370 nan 0.000 0.474 476 M N 2.565 122.190 119.600 0.041 0.000 2.101 476 M HA 0.432 4.963 4.480 0.085 0.000 0.340 476 M C -1.659 174.583 176.300 -0.096 0.000 1.057 476 M CA -0.603 54.487 55.300 -0.350 0.000 0.984 476 M CB 0.840 33.106 32.600 -0.557 0.000 1.560 476 M HN 0.037 nan 8.290 nan 0.000 0.435 477 V N 6.645 126.502 119.914 -0.095 0.000 2.581 477 V HA 0.570 4.741 4.120 0.085 0.000 0.303 477 V C -0.262 175.758 176.094 -0.125 0.000 1.041 477 V CA -0.601 61.675 62.300 -0.041 0.000 0.907 477 V CB 2.010 33.825 31.823 -0.013 0.000 0.994 477 V HN 0.779 nan 8.190 nan 0.000 0.442 478 I N 3.895 124.437 120.570 -0.046 0.000 2.503 478 I HA 0.424 4.646 4.170 0.085 0.000 0.282 478 I C -0.107 176.050 176.117 0.067 0.000 1.059 478 I CA -0.565 60.693 61.300 -0.070 0.000 1.081 478 I CB 1.588 39.530 38.000 -0.096 0.000 1.210 478 I HN 0.706 nan 8.210 nan 0.000 0.450 479 N N 4.417 123.097 118.700 -0.034 0.000 2.747 479 N HA -0.184 4.607 4.740 0.085 0.000 0.249 479 N C 0.776 176.166 175.510 -0.200 0.000 1.107 479 N CA 1.529 54.538 53.050 -0.070 0.000 0.707 479 N CB -1.016 37.496 38.487 0.042 0.000 1.054 479 N HN 1.144 nan 8.380 nan 0.000 0.555 480 G N -2.964 105.705 108.800 -0.218 0.000 2.157 480 G HA2 -0.326 3.686 3.960 0.085 0.000 0.248 480 G HA3 -0.326 3.686 3.960 0.085 0.000 0.248 480 G C -0.396 174.264 174.900 -0.400 0.000 0.979 480 G CA 0.310 45.211 45.100 -0.332 0.000 0.650 480 G HN 0.423 nan 8.290 nan 0.000 0.529 481 Y N 0.057 120.351 120.300 -0.009 0.000 2.446 481 Y HA 0.586 5.186 4.550 0.083 0.000 0.345 481 Y C 0.394 176.311 175.900 0.028 0.000 0.984 481 Y CA -1.348 56.764 58.100 0.020 0.000 1.058 481 Y CB 1.539 40.027 38.460 0.046 0.000 1.220 481 Y HN 0.143 nan 8.280 nan 0.000 0.455 482 E N 2.626 122.955 120.200 0.215 0.000 2.003 482 E HA 0.207 4.608 4.350 0.085 0.000 0.279 482 E C 0.460 177.157 176.600 0.161 0.000 1.132 482 E CA -0.195 56.295 56.400 0.149 0.000 0.888 482 E CB 0.652 30.422 29.700 0.116 0.000 1.056 482 E HN 0.725 nan 8.360 nan 0.000 0.399 483 V N 1.785 121.799 119.914 0.168 0.000 2.725 483 V HA 0.382 4.553 4.120 0.085 0.000 0.247 483 V C 0.804 177.073 176.094 0.292 0.000 1.058 483 V CA 0.893 63.330 62.300 0.228 0.000 1.080 483 V CB 0.050 32.020 31.823 0.245 0.000 0.713 483 V HN 0.530 nan 8.190 nan 0.000 0.465 484 G N -2.095 106.807 108.800 0.170 0.000 2.559 484 G HA2 0.691 4.702 3.960 0.085 0.000 0.291 484 G HA3 0.691 4.702 3.960 0.085 0.000 0.291 484 G C -0.718 174.165 174.900 -0.029 0.000 1.424 484 G CA -0.078 45.019 45.100 -0.006 0.000 0.786 484 G HN 1.137 nan 8.290 nan 0.000 0.485 485 G N -2.198 106.554 108.800 -0.080 0.000 2.368 485 G HA2 0.881 4.892 3.960 0.085 0.000 0.293 485 G HA3 0.881 4.892 3.960 0.085 0.000 0.293 485 G C -0.327 174.513 174.900 -0.100 0.000 1.467 485 G CA 0.697 45.792 45.100 -0.009 0.000 0.804 485 G HN 2.185 nan 8.290 nan 0.000 0.535 486 G N -1.281 107.296 108.800 -0.372 0.000 2.341 486 G HA2 0.927 4.938 3.960 0.085 0.000 0.299 486 G HA3 0.927 4.938 3.960 0.085 0.000 0.299 486 G C -0.548 173.684 174.900 -1.114 0.000 1.274 486 G CA 1.064 45.906 45.100 -0.430 0.000 0.853 486 G HN 2.262 nan 8.290 nan 0.000 0.493 487 S N -2.092 113.229 115.700 -0.631 0.000 2.615 487 S HA 0.696 5.217 4.470 0.085 0.000 0.269 487 S C -1.152 173.435 174.600 -0.022 0.000 1.161 487 S CA -0.622 57.273 58.200 -0.509 0.000 0.817 487 S CB 1.402 64.256 63.200 -0.576 0.000 1.131 487 S HN 1.286 nan 8.310 nan 0.000 0.467 488 V N 3.001 122.944 119.914 0.047 0.000 2.488 488 V HA 0.442 4.613 4.120 0.085 0.000 0.277 488 V C 0.425 176.453 176.094 -0.110 0.000 1.046 488 V CA -0.619 61.686 62.300 0.008 0.000 0.986 488 V CB 0.354 32.184 31.823 0.013 0.000 0.989 488 V HN 0.771 nan 8.190 nan 0.000 0.475 489 R N 4.067 124.437 120.500 -0.218 0.000 2.580 489 R HA 0.513 4.904 4.340 0.085 0.000 0.267 489 R C -0.308 175.825 176.300 -0.278 0.000 1.125 489 R CA -0.787 55.149 56.100 -0.274 0.000 1.188 489 R CB 0.550 30.529 30.300 -0.535 0.000 1.155 489 R HN 0.544 nan 8.270 nan 0.000 0.586 490 I N 2.854 123.300 120.570 -0.206 0.000 2.342 490 I HA 0.089 4.310 4.170 0.085 0.000 0.291 490 I C 1.523 177.539 176.117 -0.168 0.000 1.010 490 I CA -0.141 61.007 61.300 -0.253 0.000 1.308 490 I CB 0.674 38.554 38.000 -0.201 0.000 1.400 490 I HN 0.628 nan 8.210 nan 0.000 0.488 491 H N 4.402 123.464 119.070 -0.013 0.000 2.594 491 H HA 0.241 4.848 4.556 0.085 0.000 0.279 491 H C -0.276 175.052 175.328 -0.000 0.000 1.042 491 H CA -0.415 55.670 56.048 0.061 0.000 1.177 491 H CB 0.206 30.028 29.762 0.101 0.000 1.524 491 H HN 0.610 nan 8.280 nan 0.000 0.537 492 N N 0.629 119.280 118.700 -0.082 0.000 2.392 492 N HA 0.183 4.974 4.740 0.085 0.000 0.283 492 N C 1.015 176.471 175.510 -0.089 0.000 1.003 492 N CA -0.223 52.801 53.050 -0.043 0.000 0.892 492 N CB 1.892 40.337 38.487 -0.070 0.000 1.193 492 N HN 0.184 nan 8.380 nan 0.000 0.487 493 G N 2.368 111.124 108.800 -0.072 0.000 2.446 493 G HA2 -0.305 3.706 3.960 0.085 0.000 0.217 493 G HA3 -0.305 3.706 3.960 0.085 0.000 0.217 493 G C 1.033 175.875 174.900 -0.096 0.000 1.168 493 G CA 0.610 45.656 45.100 -0.090 0.000 0.771 493 G HN 0.792 nan 8.290 nan 0.000 0.551 494 D N 0.024 120.379 120.400 -0.074 0.000 2.123 494 D HA -0.145 4.546 4.640 0.085 0.000 0.196 494 D C 2.373 178.617 176.300 -0.094 0.000 0.992 494 D CA 1.270 55.231 54.000 -0.066 0.000 0.833 494 D CB -0.096 40.676 40.800 -0.047 0.000 0.954 494 D HN 0.204 nan 8.370 nan 0.000 0.455 495 M N 0.806 120.338 119.600 -0.114 0.000 2.086 495 M HA -0.177 4.354 4.480 0.085 0.000 0.261 495 M C 2.095 178.271 176.300 -0.206 0.000 1.067 495 M CA 1.602 56.819 55.300 -0.139 0.000 1.116 495 M CB -0.896 31.611 32.600 -0.156 0.000 1.348 495 M HN -0.092 nan 8.290 nan 0.000 0.407 496 Q N -0.056 119.583 119.800 -0.269 0.000 2.084 496 Q HA -0.170 4.221 4.340 0.085 0.000 0.202 496 Q C 2.020 177.651 176.000 -0.614 0.000 0.978 496 Q CA 2.057 57.567 55.803 -0.489 0.000 0.844 496 Q CB -0.295 28.169 28.738 -0.457 0.000 0.898 496 Q HN 0.725 nan 8.270 nan 0.000 0.426 497 Q N -1.073 118.549 119.800 -0.297 0.000 2.050 497 Q HA -0.130 4.261 4.340 0.085 0.000 0.202 497 Q C 2.076 178.036 176.000 -0.067 0.000 0.980 497 Q CA 1.906 57.643 55.803 -0.109 0.000 0.840 497 Q CB -0.170 28.555 28.738 -0.021 0.000 0.898 497 Q HN 0.419 nan 8.270 nan 0.000 0.424 498 T N 0.849 115.350 114.554 -0.088 0.000 2.665 498 T HA -0.155 4.246 4.350 0.085 0.000 0.268 498 T C 2.035 176.710 174.700 -0.042 0.000 1.035 498 T CA 1.548 63.617 62.100 -0.051 0.000 1.151 498 T CB -0.346 68.491 68.868 -0.052 0.000 0.862 498 T HN 0.057 nan 8.240 nan 0.000 0.438 499 V N 0.796 120.657 119.914 -0.088 0.000 2.427 499 V HA -0.103 4.068 4.120 0.085 0.000 0.248 499 V C 2.228 178.362 176.094 0.067 0.000 1.051 499 V CA 1.379 63.671 62.300 -0.014 0.000 1.048 499 V CB -0.797 30.985 31.823 -0.070 0.000 0.666 499 V HN 0.350 nan 8.190 nan 0.000 0.456 500 F N 1.591 121.502 119.950 -0.065 0.000 2.216 500 F HA -0.046 4.532 4.527 0.085 0.000 0.300 500 F C 2.315 178.096 175.800 -0.032 0.000 1.085 500 F CA 1.014 58.985 58.000 -0.048 0.000 1.326 500 F CB -1.559 37.433 39.000 -0.013 0.000 1.027 500 F HN 0.203 nan 8.300 nan 0.000 0.497 501 G N 0.410 109.299 108.800 0.149 0.000 2.464 501 G HA2 -0.213 3.798 3.960 0.085 0.000 0.214 501 G HA3 -0.213 3.798 3.960 0.085 0.000 0.214 501 G C 1.869 176.758 174.900 -0.019 0.000 1.218 501 G CA 0.894 46.025 45.100 0.052 0.000 0.794 501 G HN 0.329 nan 8.290 nan 0.000 0.542 502 I N 0.292 120.812 120.570 -0.083 0.000 2.248 502 I HA -0.163 4.059 4.170 0.085 0.000 0.248 502 I C 2.246 178.236 176.117 -0.213 0.000 1.107 502 I CA 0.499 61.667 61.300 -0.220 0.000 1.373 502 I CB -0.158 37.580 38.000 -0.437 0.000 1.055 502 I HN 0.050 nan 8.210 nan 0.000 0.418 503 L N 0.767 121.928 121.223 -0.102 0.000 2.622 503 L HA 0.044 4.435 4.340 0.085 0.000 0.233 503 L C 1.661 178.522 176.870 -0.016 0.000 1.156 503 L CA 1.205 56.024 54.840 -0.034 0.000 0.866 503 L CB -1.258 40.850 42.059 0.082 0.000 0.980 503 L HN 0.450 nan 8.230 nan 0.000 0.448 504 G N 0.179 108.964 108.800 -0.024 0.000 2.147 504 G HA2 -0.306 3.706 3.960 0.085 0.000 0.244 504 G HA3 -0.306 3.706 3.960 0.085 0.000 0.244 504 G C 0.372 175.273 174.900 0.001 0.000 1.005 504 G CA 0.425 45.515 45.100 -0.017 0.000 0.713 504 G HN 0.415 nan 8.290 nan 0.000 0.515 505 I N 0.721 121.304 120.570 0.022 0.000 2.354 505 I HA 0.507 4.728 4.170 0.085 0.000 0.292 505 I C 0.386 176.519 176.117 0.028 0.000 0.989 505 I CA -1.171 60.134 61.300 0.008 0.000 1.188 505 I CB 0.712 38.698 38.000 -0.023 0.000 1.342 505 I HN 0.342 nan 8.210 nan 0.000 0.457 506 N N 4.273 122.980 118.700 0.012 0.000 2.483 506 N HA 0.015 4.806 4.740 0.085 0.000 0.269 506 N C 0.681 176.212 175.510 0.035 0.000 1.209 506 N CA -0.394 52.670 53.050 0.023 0.000 0.969 506 N CB 1.204 39.697 38.487 0.009 0.000 1.173 506 N HN 0.795 nan 8.380 nan 0.000 0.475 507 E N 0.884 121.111 120.200 0.046 0.000 2.113 507 E HA -0.367 4.034 4.350 0.085 0.000 0.210 507 E C 1.517 178.143 176.600 0.043 0.000 1.040 507 E CA 2.258 58.692 56.400 0.056 0.000 0.847 507 E CB -0.317 29.409 29.700 0.043 0.000 0.755 507 E HN 0.795 nan 8.360 nan 0.000 0.459 508 E N -0.319 119.895 120.200 0.023 0.000 2.085 508 E HA -0.243 4.159 4.350 0.085 0.000 0.194 508 E C 2.065 178.663 176.600 -0.003 0.000 0.994 508 E CA 1.570 57.977 56.400 0.011 0.000 0.801 508 E CB -0.091 29.611 29.700 0.003 0.000 0.743 508 E HN 0.510 nan 8.360 nan 0.000 0.453 509 E N 0.114 120.304 120.200 -0.016 0.000 2.072 509 E HA -0.201 4.200 4.350 0.085 0.000 0.191 509 E C 2.266 178.821 176.600 -0.074 0.000 0.985 509 E CA 0.833 57.200 56.400 -0.055 0.000 0.801 509 E CB -0.064 29.598 29.700 -0.062 0.000 0.750 509 E HN 0.317 nan 8.360 nan 0.000 0.452 510 Q N 0.472 120.262 119.800 -0.017 0.000 2.061 510 Q HA -0.170 4.221 4.340 0.085 0.000 0.204 510 Q C 2.345 178.391 176.000 0.076 0.000 0.984 510 Q CA 0.979 56.808 55.803 0.044 0.000 0.846 510 Q CB -0.050 28.794 28.738 0.176 0.000 0.902 510 Q HN 0.060 nan 8.270 nan 0.000 0.421 511 R N 0.876 121.415 120.500 0.065 0.000 2.097 511 R HA -0.165 4.226 4.340 0.085 0.000 0.236 511 R C 2.005 178.333 176.300 0.046 0.000 1.135 511 R CA 1.511 57.650 56.100 0.066 0.000 0.934 511 R CB -0.691 29.638 30.300 0.049 0.000 0.846 511 R HN 0.394 nan 8.270 nan 0.000 0.431 512 E N 0.156 120.357 120.200 0.002 0.000 2.347 512 E HA -0.126 4.275 4.350 0.085 0.000 0.196 512 E C 1.091 177.653 176.600 -0.064 0.000 1.008 512 E CA 0.830 57.220 56.400 -0.016 0.000 0.852 512 E CB 0.325 30.005 29.700 -0.034 0.000 0.783 512 E HN 0.050 nan 8.360 nan 0.000 0.505 513 K N -0.629 119.669 120.400 -0.170 0.000 2.287 513 K HA 0.066 4.437 4.320 0.085 0.000 0.199 513 K C 0.689 177.002 176.600 -0.479 0.000 1.061 513 K CA 0.441 56.475 56.287 -0.421 0.000 0.976 513 K CB 0.305 32.357 32.500 -0.747 0.000 0.898 513 K HN 0.075 nan 8.250 nan 0.000 0.492 514 F N -0.340 119.592 119.950 -0.031 0.000 2.791 514 F HA 0.290 4.869 4.527 0.086 0.000 0.316 514 F C 1.563 177.257 175.800 -0.176 0.000 1.134 514 F CA -0.579 57.334 58.000 -0.144 0.000 1.222 514 F CB 0.188 39.153 39.000 -0.059 0.000 1.034 514 F HN -0.050 nan 8.300 nan 0.000 0.516 515 G N 1.244 110.120 108.800 0.127 0.000 2.446 515 G HA2 -0.347 3.664 3.960 0.085 0.000 0.217 515 G HA3 -0.347 3.664 3.960 0.085 0.000 0.217 515 G C 1.646 176.605 174.900 0.099 0.000 1.168 515 G CA 1.496 46.673 45.100 0.128 0.000 0.771 515 G HN 0.429 nan 8.290 nan 0.000 0.551 516 F N 0.596 120.610 119.950 0.106 0.000 2.216 516 F HA 0.105 4.683 4.527 0.085 0.000 0.300 516 F C 2.055 177.917 175.800 0.103 0.000 1.085 516 F CA 0.864 58.918 58.000 0.090 0.000 1.326 516 F CB -0.856 38.175 39.000 0.052 0.000 1.027 516 F HN 0.121 nan 8.300 nan 0.000 0.497 517 L N 0.847 121.520 121.223 -0.917 0.000 2.072 517 L HA 0.043 4.434 4.340 0.085 0.000 0.205 517 L C 2.055 178.822 176.870 -0.171 0.000 1.079 517 L CA 1.496 56.005 54.840 -0.552 0.000 0.752 517 L CB -0.869 40.823 42.059 -0.613 0.000 0.906 517 L HN 0.260 nan 8.230 nan 0.000 0.436 518 L N -0.479 120.701 121.223 -0.071 0.000 2.131 518 L HA -0.182 4.209 4.340 0.085 0.000 0.210 518 L C 2.104 178.963 176.870 -0.019 0.000 1.092 518 L CA 1.076 55.916 54.840 -0.001 0.000 0.759 518 L CB -0.747 41.361 42.059 0.081 0.000 0.903 518 L HN 0.306 nan 8.230 nan 0.000 0.435 519 D N 0.226 120.637 120.400 0.019 0.000 2.120 519 D HA -0.089 4.602 4.640 0.085 0.000 0.202 519 D C 2.286 178.601 176.300 0.025 0.000 0.972 519 D CA 1.382 55.409 54.000 0.044 0.000 0.837 519 D CB -0.065 40.833 40.800 0.163 0.000 0.989 519 D HN 0.247 nan 8.370 nan 0.000 0.469 520 A N 0.881 123.768 122.820 0.112 0.000 2.024 520 A HA -0.127 4.245 4.320 0.085 0.000 0.220 520 A C 2.225 179.827 177.584 0.030 0.000 1.164 520 A CA 0.843 52.982 52.037 0.170 0.000 0.643 520 A CB -0.803 18.276 19.000 0.132 0.000 0.806 520 A HN 0.231 nan 8.150 nan 0.000 0.451 521 L N -1.117 120.071 121.223 -0.057 0.000 2.551 521 L HA -0.071 4.320 4.340 0.085 0.000 0.228 521 L C 1.890 178.662 176.870 -0.163 0.000 1.153 521 L CA 0.774 55.571 54.840 -0.071 0.000 0.851 521 L CB -0.180 41.844 42.059 -0.058 0.000 0.959 521 L HN 0.359 nan 8.230 nan 0.000 0.451 522 K N -0.716 119.455 120.400 -0.382 0.000 2.400 522 K HA 0.017 4.388 4.320 0.085 0.000 0.194 522 K C -0.312 175.896 176.600 -0.654 0.000 1.033 522 K CA 0.368 56.309 56.287 -0.577 0.000 1.021 522 K CB 0.311 32.347 32.500 -0.774 0.000 0.808 522 K HN 0.174 nan 8.250 nan 0.000 0.505 523 Y N 0.937 121.244 120.300 0.012 0.000 2.850 523 Y HA 0.291 4.892 4.550 0.085 0.000 0.360 523 Y C 0.851 176.751 175.900 0.001 0.000 1.174 523 Y CA -1.171 56.934 58.100 0.008 0.000 1.373 523 Y CB 0.394 38.859 38.460 0.009 0.000 1.487 523 Y HN 0.173 nan 8.280 nan 0.000 0.553 524 G N 0.867 109.713 108.800 0.076 0.000 2.295 524 G HA2 -0.322 3.689 3.960 0.085 0.000 0.287 524 G HA3 -0.322 3.689 3.960 0.085 0.000 0.287 524 G C 0.376 175.288 174.900 0.019 0.000 1.055 524 G CA 0.484 45.615 45.100 0.051 0.000 0.922 524 G HN 0.682 nan 8.290 nan 0.000 0.503 525 T N 1.199 115.754 114.554 0.001 0.000 2.867 525 T HA 0.471 4.872 4.350 0.085 0.000 0.297 525 T C -0.925 173.716 174.700 -0.097 0.000 0.989 525 T CA -0.231 61.846 62.100 -0.038 0.000 1.159 525 T CB 1.067 69.944 68.868 0.015 0.000 0.928 525 T HN 0.364 nan 8.240 nan 0.000 0.538 526 P HA 0.424 nan 4.420 nan 0.000 0.281 526 P C -2.838 174.298 177.300 -0.273 0.000 1.264 526 P CA -2.220 60.662 63.100 -0.363 0.000 0.824 526 P CB 0.400 31.644 31.700 -0.761 0.000 1.092 527 P HA 0.097 nan 4.420 nan 0.000 0.271 527 P C -0.673 176.674 177.300 0.079 0.000 1.216 527 P CA 0.788 63.842 63.100 -0.077 0.000 0.776 527 P CB 0.238 31.863 31.700 -0.125 0.000 0.881 528 H N 0.333 119.397 119.070 -0.010 0.000 3.085 528 H HA 0.751 5.358 4.556 0.085 0.000 0.356 528 H C -1.950 173.418 175.328 0.066 0.000 1.178 528 H CA -1.146 54.894 56.048 -0.014 0.000 1.214 528 H CB 1.047 30.786 29.762 -0.039 0.000 1.881 528 H HN 0.564 nan 8.280 nan 0.000 0.538 529 A N 1.401 124.292 122.820 0.118 0.000 2.469 529 A HA 0.926 5.298 4.320 0.085 0.000 0.299 529 A C -0.248 177.457 177.584 0.202 0.000 1.098 529 A CA -0.284 51.822 52.037 0.116 0.000 0.737 529 A CB 2.082 21.162 19.000 0.134 0.000 1.312 529 A HN 1.175 nan 8.150 nan 0.000 0.414 530 G N -1.147 107.788 108.800 0.225 0.000 2.870 530 G HA2 0.761 4.772 3.960 0.085 0.000 0.299 530 G HA3 0.761 4.772 3.960 0.085 0.000 0.299 530 G C -1.572 173.470 174.900 0.237 0.000 1.324 530 G CA -0.194 45.057 45.100 0.252 0.000 0.808 530 G HN 1.765 nan 8.290 nan 0.000 0.535 531 L N -1.307 120.026 121.223 0.184 0.000 2.765 531 L HA 0.685 5.077 4.340 0.085 0.000 0.254 531 L C -1.159 175.716 176.870 0.008 0.000 0.939 531 L CA -0.600 54.286 54.840 0.076 0.000 0.949 531 L CB 1.495 43.621 42.059 0.112 0.000 1.521 531 L HN 1.259 nan 8.230 nan 0.000 0.434 532 A N 3.109 125.904 122.820 -0.042 0.000 2.355 532 A HA 0.877 5.248 4.320 0.085 0.000 0.324 532 A C -1.580 175.935 177.584 -0.114 0.000 1.117 532 A CA -0.336 51.706 52.037 0.009 0.000 0.785 532 A CB 1.043 20.119 19.000 0.127 0.000 1.254 532 A HN 0.485 nan 8.150 nan 0.000 0.453 533 F N 0.484 120.524 119.950 0.150 0.000 2.458 533 F HA 0.560 5.135 4.527 0.080 0.000 0.330 533 F C 1.135 177.018 175.800 0.137 0.000 1.082 533 F CA -0.452 57.623 58.000 0.125 0.000 0.995 533 F CB 2.155 41.208 39.000 0.088 0.000 1.170 533 F HN 0.634 nan 8.300 nan 0.000 0.478 534 G N 3.331 112.351 108.800 0.366 0.000 2.530 534 G HA2 0.303 4.315 3.960 0.085 0.000 0.313 534 G HA3 0.303 4.315 3.960 0.085 0.000 0.313 534 G C 0.769 175.789 174.900 0.200 0.000 0.971 534 G CA -0.210 45.045 45.100 0.258 0.000 1.237 534 G HN 0.676 nan 8.290 nan 0.000 0.446 535 L N 2.419 123.751 121.223 0.181 0.000 1.971 535 L HA -0.129 4.262 4.340 0.085 0.000 0.215 535 L C 2.246 179.145 176.870 0.049 0.000 1.072 535 L CA 2.158 57.054 54.840 0.093 0.000 0.758 535 L CB -0.441 41.661 42.059 0.073 0.000 0.889 535 L HN 0.571 nan 8.230 nan 0.000 0.433 536 D N -0.757 119.680 120.400 0.062 0.000 2.106 536 D HA -0.309 4.383 4.640 0.085 0.000 0.191 536 D C 2.166 178.455 176.300 -0.018 0.000 0.997 536 D CA 1.879 55.889 54.000 0.017 0.000 0.834 536 D CB -0.191 40.630 40.800 0.035 0.000 0.956 536 D HN 0.303 nan 8.370 nan 0.000 0.448 537 R N 0.549 121.043 120.500 -0.009 0.000 2.091 537 R HA -0.150 4.241 4.340 0.085 0.000 0.238 537 R C 2.350 178.630 176.300 -0.033 0.000 1.136 537 R CA 0.794 56.856 56.100 -0.064 0.000 0.959 537 R CB -0.524 29.747 30.300 -0.049 0.000 0.856 537 R HN 0.045 nan 8.270 nan 0.000 0.437 538 L N 0.268 121.506 121.223 0.024 0.000 2.042 538 L HA -0.147 4.244 4.340 0.085 0.000 0.210 538 L C 2.067 178.887 176.870 -0.084 0.000 1.076 538 L CA 2.187 57.044 54.840 0.030 0.000 0.749 538 L CB -0.948 41.115 42.059 0.006 0.000 0.893 538 L HN 0.301 nan 8.230 nan 0.000 0.432 539 T N -1.205 113.296 114.554 -0.090 0.000 2.821 539 T HA -0.182 4.219 4.350 0.085 0.000 0.267 539 T C 1.958 176.588 174.700 -0.117 0.000 1.046 539 T CA 1.434 63.459 62.100 -0.125 0.000 1.139 539 T CB -0.143 68.668 68.868 -0.094 0.000 0.871 539 T HN 0.226 nan 8.240 nan 0.000 0.454 540 M N 0.690 120.234 119.600 -0.093 0.000 2.065 540 M HA -0.047 4.484 4.480 0.085 0.000 0.259 540 M C 2.336 178.599 176.300 -0.062 0.000 1.071 540 M CA 1.749 56.995 55.300 -0.091 0.000 1.109 540 M CB -0.799 31.724 32.600 -0.128 0.000 1.313 540 M HN 0.176 nan 8.290 nan 0.000 0.408 541 L N 0.019 121.225 121.223 -0.028 0.000 2.081 541 L HA -0.238 4.153 4.340 0.085 0.000 0.212 541 L C 2.275 179.173 176.870 0.048 0.000 1.080 541 L CA 1.199 56.118 54.840 0.132 0.000 0.754 541 L CB -0.575 41.692 42.059 0.345 0.000 0.893 541 L HN 0.383 nan 8.230 nan 0.000 0.433 542 L N -0.946 120.143 121.223 -0.223 0.000 2.446 542 L HA -0.030 4.361 4.340 0.085 0.000 0.219 542 L C 1.910 178.644 176.870 -0.227 0.000 1.116 542 L CA 0.908 55.497 54.840 -0.418 0.000 0.844 542 L CB -0.258 41.415 42.059 -0.643 0.000 0.970 542 L HN 0.369 nan 8.230 nan 0.000 0.457 543 T N -3.877 110.595 114.554 -0.136 0.000 3.176 543 T HA 0.237 4.638 4.350 0.085 0.000 0.263 543 T C 1.203 175.874 174.700 -0.048 0.000 1.021 543 T CA 0.172 62.214 62.100 -0.098 0.000 0.905 543 T CB 0.297 69.107 68.868 -0.096 0.000 1.057 543 T HN 0.291 nan 8.240 nan 0.000 0.558 544 G N 1.533 110.329 108.800 -0.006 0.000 2.395 544 G HA2 -0.185 3.826 3.960 0.085 0.000 0.292 544 G HA3 -0.185 3.826 3.960 0.085 0.000 0.292 544 G C -0.052 174.845 174.900 -0.005 0.000 0.953 544 G CA 0.483 45.598 45.100 0.025 0.000 1.207 544 G HN 0.694 nan 8.290 nan 0.000 0.503 545 T N -0.567 113.976 114.554 -0.018 0.000 2.907 545 T HA 0.547 4.948 4.350 0.085 0.000 0.292 545 T C 0.472 175.153 174.700 -0.031 0.000 1.043 545 T CA 0.005 62.087 62.100 -0.029 0.000 1.003 545 T CB 1.564 70.406 68.868 -0.044 0.000 1.084 545 T HN 0.198 nan 8.240 nan 0.000 0.483 546 D N 0.003 120.390 120.400 -0.022 0.000 2.441 546 D HA 0.118 4.809 4.640 0.085 0.000 0.210 546 D C 0.206 176.494 176.300 -0.019 0.000 1.102 546 D CA -0.218 53.774 54.000 -0.013 0.000 0.840 546 D CB 0.172 40.983 40.800 0.019 0.000 0.990 546 D HN 0.217 nan 8.370 nan 0.000 0.505 547 N N 1.420 120.105 118.700 -0.026 0.000 2.609 547 N HA 0.158 4.949 4.740 0.085 0.000 0.234 547 N C 0.649 176.137 175.510 -0.037 0.000 1.001 547 N CA -0.399 52.637 53.050 -0.024 0.000 0.926 547 N CB 0.518 38.993 38.487 -0.020 0.000 1.130 547 N HN 0.073 nan 8.380 nan 0.000 0.510 548 I N 2.904 123.450 120.570 -0.039 0.000 2.300 548 I HA -0.291 3.930 4.170 0.085 0.000 0.252 548 I C 1.457 177.553 176.117 -0.035 0.000 1.119 548 I CA 1.331 62.605 61.300 -0.043 0.000 1.384 548 I CB 0.245 38.222 38.000 -0.038 0.000 1.062 548 I HN 0.493 nan 8.210 nan 0.000 0.426 549 R N 0.288 120.772 120.500 -0.028 0.000 2.285 549 R HA -0.108 4.283 4.340 0.085 0.000 0.213 549 R C 1.076 177.348 176.300 -0.047 0.000 1.068 549 R CA 0.891 56.974 56.100 -0.028 0.000 1.004 549 R CB -0.247 30.043 30.300 -0.016 0.000 0.873 549 R HN 0.408 nan 8.270 nan 0.000 0.467 550 D N -0.020 120.350 120.400 -0.050 0.000 2.349 550 D HA -0.052 4.639 4.640 0.085 0.000 0.224 550 D C 1.315 177.570 176.300 -0.075 0.000 1.029 550 D CA 0.681 54.644 54.000 -0.062 0.000 0.879 550 D CB 0.662 41.430 40.800 -0.054 0.000 0.906 550 D HN 0.178 nan 8.370 nan 0.000 0.528 551 V N -2.090 117.781 119.914 -0.071 0.000 3.380 551 V HA 0.376 4.547 4.120 0.085 0.000 0.307 551 V C 0.357 176.404 176.094 -0.078 0.000 1.434 551 V CA -0.365 61.889 62.300 -0.077 0.000 1.075 551 V CB -0.125 31.657 31.823 -0.069 0.000 0.954 551 V HN -0.151 nan 8.190 nan 0.000 0.444 552 I N 0.863 121.382 120.570 -0.084 0.000 2.433 552 I HA 0.700 4.922 4.170 0.085 0.000 0.292 552 I C 1.564 177.580 176.117 -0.168 0.000 1.001 552 I CA -0.260 60.989 61.300 -0.085 0.000 1.119 552 I CB 1.952 39.929 38.000 -0.038 0.000 1.289 552 I HN 0.080 nan 8.210 nan 0.000 0.438 553 A N 6.149 128.828 122.820 -0.235 0.000 1.841 553 A HA -0.066 4.306 4.320 0.085 0.000 0.216 553 A C 0.683 177.779 177.584 -0.815 0.000 1.199 553 A CA 1.699 53.380 52.037 -0.592 0.000 0.621 553 A CB -0.278 18.323 19.000 -0.665 0.000 0.835 553 A HN 0.590 nan 8.150 nan 0.000 0.445 554 F N 0.983 120.933 119.950 -0.000 0.000 2.453 554 F HA 0.367 4.946 4.527 0.086 0.000 0.358 554 F C -2.231 173.568 175.800 -0.002 0.000 1.129 554 F CA -2.608 55.395 58.000 0.004 0.000 1.200 554 F CB 0.877 39.885 39.000 0.013 0.000 1.431 554 F HN 0.111 nan 8.300 nan 0.000 0.503 555 P HA 0.342 nan 4.420 nan 0.000 0.277 555 P C -0.706 176.635 177.300 0.067 0.000 1.271 555 P CA -0.532 62.605 63.100 0.061 0.000 0.795 555 P CB 1.718 33.429 31.700 0.018 0.000 1.101 556 K N -0.720 119.710 120.400 0.051 0.000 2.185 556 K HA 0.432 4.804 4.320 0.085 0.000 0.240 556 K C 0.585 177.205 176.600 0.034 0.000 0.983 556 K CA -0.595 55.719 56.287 0.045 0.000 0.873 556 K CB 1.091 33.620 32.500 0.048 0.000 1.118 556 K HN 0.517 nan 8.250 nan 0.000 0.441 557 T N -2.090 112.481 114.554 0.029 0.000 2.732 557 T HA 0.024 4.426 4.350 0.085 0.000 0.287 557 T C 1.192 175.908 174.700 0.027 0.000 0.993 557 T CA -0.349 61.765 62.100 0.022 0.000 0.966 557 T CB 0.638 69.516 68.868 0.016 0.000 1.047 557 T HN 0.489 nan 8.240 nan 0.000 0.527 558 T N 0.683 115.250 114.554 0.023 0.000 2.977 558 T HA 0.061 4.462 4.350 0.085 0.000 0.271 558 T C 1.701 176.419 174.700 0.031 0.000 1.105 558 T CA 1.052 63.167 62.100 0.025 0.000 1.116 558 T CB -0.559 68.321 68.868 0.019 0.000 0.878 558 T HN 0.813 nan 8.240 nan 0.000 0.509 559 A N 0.225 123.063 122.820 0.029 0.000 2.462 559 A HA 0.724 5.095 4.320 0.085 0.000 0.261 559 A C 1.522 179.132 177.584 0.044 0.000 1.323 559 A CA 0.539 52.595 52.037 0.032 0.000 0.913 559 A CB -0.700 18.312 19.000 0.020 0.000 1.028 559 A HN 0.708 nan 8.150 nan 0.000 0.511 560 A N -2.425 120.427 122.820 0.054 0.000 2.847 560 A HA 0.045 4.416 4.320 0.085 0.000 0.263 560 A C 0.825 178.440 177.584 0.052 0.000 1.391 560 A CA 1.153 53.233 52.037 0.072 0.000 0.866 560 A CB -2.141 16.927 19.000 0.113 0.000 1.057 560 A HN 2.157 nan 8.150 nan 0.000 0.673 561 A N -1.494 121.346 122.820 0.033 0.000 2.294 561 A HA 0.653 5.024 4.320 0.085 0.000 0.330 561 A C 0.270 177.866 177.584 0.019 0.000 1.133 561 A CA 0.188 52.236 52.037 0.018 0.000 0.836 561 A CB 1.205 20.208 19.000 0.004 0.000 1.190 561 A HN 1.759 nan 8.150 nan 0.000 0.492 562 C N 3.117 122.424 119.300 0.012 0.000 2.258 562 C HA 0.501 5.013 4.460 0.085 0.000 0.321 562 C C 1.346 176.336 174.990 0.001 0.000 1.168 562 C CA -0.625 58.403 59.018 0.017 0.000 1.531 562 C CB -1.839 25.911 27.740 0.016 0.000 2.095 562 C HN 0.777 nan 8.230 nan 0.000 0.449 563 L N 4.781 126.002 121.223 -0.004 0.000 2.362 563 L HA -0.090 4.301 4.340 0.085 0.000 0.219 563 L C 2.370 179.212 176.870 -0.046 0.000 1.134 563 L CA 1.084 55.907 54.840 -0.030 0.000 0.807 563 L CB -0.434 41.601 42.059 -0.041 0.000 0.927 563 L HN 0.763 nan 8.230 nan 0.000 0.447 564 M N -0.163 119.428 119.600 -0.016 0.000 2.394 564 M HA -0.080 4.451 4.480 0.085 0.000 0.266 564 M C 1.877 178.176 176.300 -0.002 0.000 1.098 564 M CA 1.592 56.892 55.300 -0.001 0.000 1.149 564 M CB 0.108 32.758 32.600 0.083 0.000 1.369 564 M HN 0.285 nan 8.290 nan 0.000 0.450 565 T N -3.630 110.915 114.554 -0.014 0.000 2.990 565 T HA 0.248 4.650 4.350 0.085 0.000 0.249 565 T C 0.379 175.065 174.700 -0.024 0.000 1.039 565 T CA 0.196 62.280 62.100 -0.027 0.000 1.036 565 T CB 0.197 69.038 68.868 -0.045 0.000 0.994 565 T HN 0.547 nan 8.240 nan 0.000 0.489 566 E N 0.283 120.470 120.200 -0.022 0.000 2.833 566 E HA -0.101 4.300 4.350 0.085 0.000 0.289 566 E C -0.070 176.512 176.600 -0.031 0.000 0.980 566 E CA 0.110 56.495 56.400 -0.025 0.000 0.897 566 E CB -1.706 27.982 29.700 -0.021 0.000 1.440 566 E HN 0.790 nan 8.360 nan 0.000 0.410 567 A N 1.038 123.843 122.820 -0.025 0.000 2.320 567 A HA 0.754 5.125 4.320 0.085 0.000 0.334 567 A C -2.210 175.360 177.584 -0.022 0.000 1.147 567 A CA -1.249 50.772 52.037 -0.027 0.000 0.820 567 A CB 0.796 19.787 19.000 -0.016 0.000 1.218 567 A HN 0.003 nan 8.150 nan 0.000 0.482 568 P HA 0.303 nan 4.420 nan 0.000 0.274 568 P C -0.238 177.000 177.300 -0.104 0.000 1.237 568 P CA 0.118 63.191 63.100 -0.044 0.000 0.793 568 P CB 1.285 32.969 31.700 -0.026 0.000 0.977 569 S N -0.159 115.472 115.700 -0.115 0.000 2.794 569 S HA 0.605 5.126 4.470 0.085 0.000 0.299 569 S C -0.777 173.715 174.600 -0.180 0.000 1.179 569 S CA -0.730 57.358 58.200 -0.186 0.000 0.838 569 S CB 0.393 63.554 63.200 -0.065 0.000 1.206 569 S HN 0.126 nan 8.310 nan 0.000 0.523 570 F N 1.789 121.752 119.950 0.022 0.000 2.456 570 F HA 0.647 5.225 4.527 0.086 0.000 0.358 570 F C 1.124 176.936 175.800 0.020 0.000 1.095 570 F CA -0.038 57.975 58.000 0.022 0.000 1.216 570 F CB 0.704 39.715 39.000 0.018 0.000 1.125 570 F HN 0.878 nan 8.300 nan 0.000 0.549 571 A N 3.137 126.094 122.820 0.229 0.000 2.322 571 A HA 0.257 4.628 4.320 0.085 0.000 0.269 571 A C 0.330 177.981 177.584 0.112 0.000 1.094 571 A CA -0.739 51.377 52.037 0.132 0.000 0.807 571 A CB 0.166 19.229 19.000 0.106 0.000 1.047 571 A HN 0.711 nan 8.150 nan 0.000 0.487 572 N N 1.120 119.863 118.700 0.072 0.000 2.357 572 N HA 0.027 4.818 4.740 0.085 0.000 0.257 572 N C -1.790 173.744 175.510 0.039 0.000 1.250 572 N CA -1.253 51.825 53.050 0.046 0.000 0.862 572 N CB 0.800 39.306 38.487 0.031 0.000 1.066 572 N HN 0.192 nan 8.380 nan 0.000 0.468 573 P HA -0.093 nan 4.420 nan 0.000 0.216 573 P C 1.171 178.478 177.300 0.012 0.000 1.150 573 P CA 1.334 64.441 63.100 0.011 0.000 0.837 573 P CB 0.205 31.899 31.700 -0.009 0.000 0.786 574 T N -0.740 113.819 114.554 0.009 0.000 2.708 574 T HA -0.170 4.232 4.350 0.085 0.000 0.266 574 T C 1.833 176.538 174.700 0.008 0.000 1.037 574 T CA 1.681 63.784 62.100 0.005 0.000 1.146 574 T CB -0.957 67.913 68.868 0.003 0.000 0.865 574 T HN 0.013 nan 8.240 nan 0.000 0.435 575 A N 1.406 124.235 122.820 0.015 0.000 1.903 575 A HA -0.129 4.242 4.320 0.085 0.000 0.219 575 A C 2.278 179.872 177.584 0.017 0.000 1.191 575 A CA 1.623 53.669 52.037 0.016 0.000 0.638 575 A CB -0.974 18.042 19.000 0.027 0.000 0.823 575 A HN 0.540 nan 8.150 nan 0.000 0.451 576 L N -1.301 119.938 121.223 0.027 0.000 2.093 576 L HA -0.168 4.224 4.340 0.085 0.000 0.208 576 L C 3.056 179.935 176.870 0.015 0.000 1.085 576 L CA 1.085 55.943 54.840 0.030 0.000 0.755 576 L CB -0.725 41.360 42.059 0.044 0.000 0.904 576 L HN 0.472 nan 8.230 nan 0.000 0.435 577 A N -0.308 122.517 122.820 0.009 0.000 1.969 577 A HA -0.142 4.229 4.320 0.085 0.000 0.218 577 A C 2.158 179.738 177.584 -0.008 0.000 1.169 577 A CA 1.100 53.138 52.037 0.001 0.000 0.635 577 A CB -0.221 18.779 19.000 -0.001 0.000 0.810 577 A HN 0.357 nan 8.150 nan 0.000 0.445 578 E N -0.462 119.732 120.200 -0.010 0.000 2.208 578 E HA -0.079 4.322 4.350 0.085 0.000 0.193 578 E C 1.072 177.653 176.600 -0.031 0.000 0.988 578 E CA 0.595 56.984 56.400 -0.019 0.000 0.828 578 E CB -0.190 29.501 29.700 -0.016 0.000 0.763 578 E HN 0.427 nan 8.360 nan 0.000 0.478 579 L N 0.638 121.844 121.223 -0.027 0.000 2.591 579 L HA 0.104 4.495 4.340 0.085 0.000 0.228 579 L C 0.941 177.775 176.870 -0.061 0.000 1.133 579 L CA 0.353 55.161 54.840 -0.052 0.000 0.880 579 L CB -0.685 41.353 42.059 -0.035 0.000 1.033 579 L HN -0.052 nan 8.230 nan 0.000 0.450 580 S N -0.147 115.532 115.700 -0.035 0.000 3.521 580 S HA -0.196 4.325 4.470 0.085 0.000 0.328 580 S C 0.337 174.936 174.600 -0.003 0.000 1.165 580 S CA 1.174 59.359 58.200 -0.025 0.000 0.941 580 S CB -1.618 61.557 63.200 -0.042 0.000 0.951 580 S HN 0.497 nan 8.310 nan 0.000 0.539 581 I N -1.733 118.847 120.570 0.015 0.000 3.239 581 I HA 0.849 5.070 4.170 0.085 0.000 0.314 581 I C -0.863 175.284 176.117 0.051 0.000 1.126 581 I CA -1.014 60.317 61.300 0.052 0.000 0.973 581 I CB 2.087 40.145 38.000 0.097 0.000 1.252 581 I HN 0.354 nan 8.210 nan 0.000 0.463 582 Q N 2.067 121.904 119.800 0.062 0.000 2.426 582 Q HA 0.508 4.899 4.340 0.085 0.000 0.278 582 Q C -2.099 173.938 176.000 0.061 0.000 1.007 582 Q CA -0.884 54.951 55.803 0.053 0.000 0.850 582 Q CB 2.574 31.333 28.738 0.035 0.000 1.427 582 Q HN 0.642 nan 8.270 nan 0.000 0.391 583 V N 2.123 122.075 119.914 0.063 0.000 2.686 583 V HA 0.490 4.661 4.120 0.085 0.000 0.295 583 V C 0.659 176.783 176.094 0.050 0.000 1.055 583 V CA -0.083 62.258 62.300 0.068 0.000 1.050 583 V CB 0.633 32.511 31.823 0.091 0.000 0.984 583 V HN 0.655 nan 8.190 nan 0.000 0.482 584 V N 1.164 121.105 119.914 0.045 0.000 3.119 584 V HA 0.737 4.908 4.120 0.085 0.000 0.311 584 V C -0.568 175.546 176.094 0.033 0.000 1.259 584 V CA -1.329 60.991 62.300 0.033 0.000 1.067 584 V CB 2.115 33.954 31.823 0.027 0.000 1.123 584 V HN 0.591 nan 8.190 nan 0.000 0.463 585 K N 1.122 121.536 120.400 0.025 0.000 2.144 585 K HA 0.371 4.742 4.320 0.085 0.000 0.270 585 K C 1.163 177.774 176.600 0.017 0.000 1.005 585 K CA -0.257 56.043 56.287 0.023 0.000 0.932 585 K CB 1.715 34.226 32.500 0.018 0.000 1.021 585 K HN 0.877 nan 8.250 nan 0.000 0.462 586 K N 0.550 120.960 120.400 0.016 0.000 2.103 586 K HA -0.180 4.191 4.320 0.085 0.000 0.207 586 K C 1.556 178.160 176.600 0.007 0.000 1.048 586 K CA 1.603 57.896 56.287 0.010 0.000 0.930 586 K CB -0.082 32.424 32.500 0.010 0.000 0.716 586 K HN 0.445 nan 8.250 nan 0.000 0.444 587 A N 1.651 124.476 122.820 0.008 0.000 1.972 587 A HA -0.072 4.299 4.320 0.085 0.000 0.219 587 A C 1.841 179.429 177.584 0.006 0.000 1.467 587 A CA 0.999 53.040 52.037 0.006 0.000 0.631 587 A CB -0.798 18.206 19.000 0.006 0.000 1.143 587 A HN 0.414 nan 8.150 nan 0.000 0.502 588 E N 1.059 121.264 120.200 0.008 0.000 2.940 588 E HA -0.298 4.103 4.350 0.085 0.000 0.213 588 E C 0.574 177.178 176.600 0.007 0.000 0.874 588 E CA 2.129 58.534 56.400 0.008 0.000 1.423 588 E CB -1.089 28.617 29.700 0.010 0.000 1.452 588 E HN 0.526 nan 8.360 nan 0.000 0.461 589 N N 1.703 120.407 118.700 0.008 0.000 2.463 589 N HA 0.368 5.159 4.740 0.085 0.000 0.270 589 N C -0.379 175.134 175.510 0.005 0.000 1.205 589 N CA 0.551 53.606 53.050 0.007 0.000 0.974 589 N CB 0.790 39.282 38.487 0.009 0.000 1.197 589 N HN 0.564 nan 8.380 nan 0.000 0.504 590 N N 0.000 118.702 118.700 0.004 0.000 1.763 590 N HA 0.000 4.791 4.740 0.085 0.000 0.220 590 N CA 0.000 53.051 53.050 0.002 0.000 0.885 590 N CB 0.000 38.487 38.487 0.000 0.000 1.341 590 N HN 0.000 nan 8.380 nan 0.000 0.667