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 2frv_1_F DATA FIRST_RESID 7 DATA SEQUENCE NKIVVDPITR IEGHLRIEVE VEGGKIKNAW SMSTLFRGLE MILKGRDPRD DATA SEQUENCE AQHFTQRACG VCTYVHALAS VRAVDNCVGV KIPENATLMR NLTMGAQYMH DATA SEQUENCE DHLVHFYHLH ALDWVNVANA LNADPAKAAR LANDLSPKKT TTESLKAVQA DATA SEQUENCE KVKALVESGQ LGIFTNAYFL GGHPAYVLPA EVDLIATAHY LEALRVQVKA DATA SEQUENCE ARAMAIFGAK NPHTQFTVVG GCTNYDSLRP ERIAEFRKLY KEVREFIEQV DATA SEQUENCE YITDLLAVAG FYKNWAGIGK TSNFLTCGEF PTDEYDLNSR YTPQGVIWGN DATA SEQUENCE DLSKVDDFNP DLIEEHVKYS WYEGAGAHHP YKGVTKPKWT EFHGEDRYSW DATA SEQUENCE MKAPRYKGEA FEVGPLASVL VAYAKKHEPT VKAVDLVLKT LGVGPEALFS DATA SEQUENCE TLGRTAARGI QCLTAAQEVE VWLDKLEANV KAGKDDLYTD WQYPTESQGV DATA SEQUENCE GFVNAPRGML SHWIVQRGGK IENFQLVVPS TWNLGPRCAE GKLSAVEQAL DATA SEQUENCE IGTPIADPKR PVEILRTVHS YDPCIACGVH 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 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.529 175.510 0.032 0.000 1.280 7 N CA 0.000 53.061 53.050 0.018 0.000 0.885 7 N CB 0.000 38.495 38.487 0.014 0.000 1.341 8 K N 0.894 121.308 120.400 0.023 0.000 2.118 8 K HA 0.686 5.006 4.320 -0.000 0.000 0.254 8 K C -1.080 175.545 176.600 0.042 0.000 0.961 8 K CA -0.358 55.950 56.287 0.035 0.000 0.876 8 K CB 1.036 33.530 32.500 -0.011 0.000 1.077 8 K HN 0.371 nan 8.250 nan 0.000 0.440 9 I N 2.775 123.383 120.570 0.063 0.000 2.499 9 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 9 I C -1.216 174.949 176.117 0.081 0.000 1.048 9 I CA -1.150 60.189 61.300 0.066 0.000 1.062 9 I CB 1.995 40.036 38.000 0.068 0.000 1.238 9 I HN 0.276 nan 8.210 nan 0.000 0.426 10 V N 7.607 127.569 119.914 0.081 0.000 2.495 10 V HA 0.624 4.744 4.120 -0.000 0.000 0.298 10 V C -1.012 175.148 176.094 0.110 0.000 1.031 10 V CA -0.253 62.104 62.300 0.096 0.000 0.871 10 V CB 2.027 33.906 31.823 0.094 0.000 0.988 10 V HN 0.411 nan 8.190 nan 0.000 0.432 11 V N 6.215 126.201 119.914 0.119 0.000 2.326 11 V HA 0.620 4.740 4.120 -0.000 0.000 0.281 11 V C -0.762 175.410 176.094 0.129 0.000 1.015 11 V CA -0.231 62.147 62.300 0.131 0.000 0.823 11 V CB 1.157 33.063 31.823 0.139 0.000 1.009 11 V HN 0.986 nan 8.190 nan 0.000 0.436 12 D N 5.580 126.061 120.400 0.136 0.000 2.613 12 D HA 0.440 5.080 4.640 -0.000 0.000 0.230 12 D C -2.353 174.029 176.300 0.137 0.000 1.365 12 D CA -0.659 53.430 54.000 0.148 0.000 0.976 12 D CB 2.826 43.733 40.800 0.178 0.000 1.415 12 D HN 0.437 nan 8.370 nan 0.000 0.589 13 P HA 0.417 nan 4.420 nan 0.000 0.276 13 P C -0.074 177.287 177.300 0.102 0.000 1.244 13 P CA -0.613 62.565 63.100 0.130 0.000 0.801 13 P CB 1.273 33.051 31.700 0.130 0.000 1.006 14 I N 2.068 122.695 120.570 0.094 0.000 2.416 14 I HA 0.086 4.256 4.170 -0.000 0.000 0.288 14 I C 1.228 177.386 176.117 0.069 0.000 1.051 14 I CA 0.058 61.396 61.300 0.062 0.000 1.375 14 I CB 1.080 39.096 38.000 0.028 0.000 1.407 14 I HN 0.540 nan 8.210 nan 0.000 0.516 15 T N 3.263 117.865 114.554 0.081 0.000 2.897 15 T HA 0.453 4.803 4.350 -0.000 0.000 0.278 15 T C 0.667 175.489 174.700 0.204 0.000 0.981 15 T CA -0.784 61.369 62.100 0.089 0.000 0.973 15 T CB 1.106 69.990 68.868 0.027 0.000 1.092 15 T HN 0.636 nan 8.240 nan 0.000 0.543 16 R N -0.226 120.364 120.500 0.149 0.000 3.525 16 R HA -0.141 4.199 4.340 -0.000 0.000 0.276 16 R C -0.026 176.439 176.300 0.275 0.000 1.116 16 R CA 0.914 57.110 56.100 0.159 0.000 0.745 16 R CB -2.142 28.165 30.300 0.013 0.000 1.185 16 R HN 0.809 nan 8.270 nan 0.000 0.454 17 I N -4.837 115.867 120.570 0.223 0.000 3.343 17 I HA 0.575 4.745 4.170 -0.000 0.000 0.315 17 I C -0.514 175.669 176.117 0.110 0.000 1.153 17 I CA -1.145 60.276 61.300 0.201 0.000 0.952 17 I CB 2.115 40.213 38.000 0.163 0.000 1.287 17 I HN -0.224 nan 8.210 nan 0.000 0.472 18 E N 1.559 121.818 120.200 0.098 0.000 2.156 18 E HA 0.593 4.943 4.350 -0.000 0.000 0.279 18 E C -0.042 176.565 176.600 0.010 0.000 0.965 18 E CA 0.569 57.003 56.400 0.056 0.000 0.789 18 E CB 1.353 31.108 29.700 0.092 0.000 1.098 18 E HN 1.075 nan 8.360 nan 0.000 0.397 19 G N 4.044 112.783 108.800 -0.101 0.000 2.728 19 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.294 19 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.294 19 G C -0.852 173.845 174.900 -0.339 0.000 1.342 19 G CA -0.607 44.374 45.100 -0.198 0.000 0.866 19 G HN 0.708 nan 8.290 nan 0.000 0.534 20 H N -0.398 118.746 119.070 0.125 0.000 2.690 20 H HA 0.538 5.093 4.556 -0.000 0.000 0.289 20 H C -0.124 175.302 175.328 0.163 0.000 1.089 20 H CA -0.204 55.929 56.048 0.142 0.000 1.299 20 H CB 1.308 31.160 29.762 0.149 0.000 1.405 20 H HN 0.515 nan 8.280 nan 0.000 0.463 21 L N 3.493 124.837 121.223 0.202 0.000 2.362 21 L HA 0.450 4.790 4.340 -0.000 0.000 0.271 21 L C -0.368 176.601 176.870 0.164 0.000 1.002 21 L CA -0.710 54.234 54.840 0.175 0.000 0.818 21 L CB 1.952 44.083 42.059 0.120 0.000 1.298 21 L HN 0.550 nan 8.230 nan 0.000 0.420 22 R N 5.541 126.131 120.500 0.150 0.000 2.561 22 R HA 0.641 4.981 4.340 -0.000 0.000 0.297 22 R C -1.821 174.542 176.300 0.105 0.000 0.969 22 R CA -0.682 55.496 56.100 0.130 0.000 0.879 22 R CB 1.265 31.639 30.300 0.123 0.000 1.178 22 R HN 0.648 nan 8.270 nan 0.000 0.445 23 I N 3.720 124.355 120.570 0.108 0.000 2.406 23 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 23 I C -0.412 175.783 176.117 0.130 0.000 0.999 23 I CA -0.602 60.767 61.300 0.115 0.000 1.124 23 I CB 1.921 39.980 38.000 0.098 0.000 1.289 23 I HN 0.715 nan 8.210 nan 0.000 0.441 24 E N 5.651 125.955 120.200 0.174 0.000 2.210 24 E HA 0.596 4.946 4.350 -0.000 0.000 0.266 24 E C -0.942 175.865 176.600 0.346 0.000 0.883 24 E CA -0.693 55.817 56.400 0.185 0.000 0.761 24 E CB 3.123 32.867 29.700 0.073 0.000 1.156 24 E HN 0.454 nan 8.360 nan 0.000 0.412 25 V N -0.508 119.563 119.914 0.261 0.000 3.040 25 V HA 0.549 4.669 4.120 -0.000 0.000 0.312 25 V C -0.685 175.557 176.094 0.246 0.000 1.115 25 V CA -0.915 61.549 62.300 0.274 0.000 0.998 25 V CB 2.140 34.046 31.823 0.139 0.000 1.042 25 V HN 0.634 nan 8.190 nan 0.000 0.433 26 E N 1.643 121.993 120.200 0.250 0.000 2.133 26 E HA 0.645 4.995 4.350 -0.000 0.000 0.274 26 E C -1.138 175.512 176.600 0.084 0.000 0.930 26 E CA -0.580 55.922 56.400 0.170 0.000 0.770 26 E CB 2.171 31.985 29.700 0.190 0.000 1.104 26 E HN 0.695 nan 8.360 nan 0.000 0.403 27 V N 2.843 122.794 119.914 0.063 0.000 2.732 27 V HA 0.441 4.561 4.120 -0.000 0.000 0.310 27 V C -0.279 175.832 176.094 0.029 0.000 1.053 27 V CA -0.570 61.754 62.300 0.040 0.000 0.957 27 V CB 1.669 33.517 31.823 0.041 0.000 1.018 27 V HN 0.803 nan 8.190 nan 0.000 0.452 28 E N 1.848 122.060 120.200 0.019 0.000 2.428 28 E HA 0.492 4.842 4.350 -0.000 0.000 0.307 28 E C 0.042 176.647 176.600 0.008 0.000 0.902 28 E CA -0.152 56.256 56.400 0.013 0.000 0.799 28 E CB 0.923 30.628 29.700 0.009 0.000 1.351 28 E HN 1.257 nan 8.360 nan 0.000 0.392 29 G N 2.484 111.289 108.800 0.008 0.000 2.221 29 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.265 29 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.265 29 G C 1.018 175.922 174.900 0.007 0.000 1.041 29 G CA 0.616 45.719 45.100 0.006 0.000 0.807 29 G HN 1.967 nan 8.290 nan 0.000 0.502 30 G N -1.655 107.152 108.800 0.012 0.000 2.155 30 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 30 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 30 G C 0.240 175.150 174.900 0.017 0.000 0.983 30 G CA 1.361 46.471 45.100 0.016 0.000 0.676 30 G HN 1.056 nan 8.290 nan 0.000 0.528 31 K N -0.398 120.009 120.400 0.012 0.000 2.371 31 K HA 0.607 4.927 4.320 -0.000 0.000 0.251 31 K C 0.514 177.121 176.600 0.012 0.000 0.934 31 K CA -1.115 55.177 56.287 0.008 0.000 0.798 31 K CB 1.678 34.175 32.500 -0.004 0.000 1.204 31 K HN 0.153 nan 8.250 nan 0.000 0.427 32 I N 3.563 124.142 120.570 0.016 0.000 2.668 32 I HA -0.107 4.063 4.170 -0.000 0.000 0.285 32 I C 1.264 177.375 176.117 -0.010 0.000 1.168 32 I CA 0.534 61.842 61.300 0.014 0.000 1.424 32 I CB 0.379 38.393 38.000 0.022 0.000 1.377 32 I HN 0.644 nan 8.210 nan 0.000 0.560 33 K N 4.638 125.028 120.400 -0.017 0.000 2.370 33 K HA 0.238 4.558 4.320 -0.000 0.000 0.194 33 K C 0.214 176.758 176.600 -0.092 0.000 1.070 33 K CA 0.303 56.567 56.287 -0.038 0.000 0.998 33 K CB 0.460 32.951 32.500 -0.015 0.000 0.911 33 K HN 0.519 nan 8.250 nan 0.000 0.533 34 N N -0.411 118.207 118.700 -0.137 0.000 2.591 34 N HA 0.653 5.393 4.740 -0.000 0.000 0.263 34 N C -2.056 173.165 175.510 -0.482 0.000 1.308 34 N CA -0.189 52.642 53.050 -0.365 0.000 0.837 34 N CB 2.319 40.518 38.487 -0.479 0.000 1.548 34 N HN 0.238 nan 8.380 nan 0.000 0.493 35 A N 0.792 123.085 122.820 -0.878 0.000 2.604 35 A HA 0.717 5.037 4.320 -0.000 0.000 0.295 35 A C -2.034 175.057 177.584 -0.821 0.000 1.067 35 A CA -0.700 51.001 52.037 -0.560 0.000 0.683 35 A CB 1.379 20.246 19.000 -0.221 0.000 1.281 35 A HN 0.460 nan 8.150 nan 0.000 0.407 36 W N 1.047 122.243 121.300 -0.174 0.000 2.900 36 W HA 0.519 5.179 4.660 -0.000 0.000 0.336 36 W C -0.096 176.368 176.519 -0.091 0.000 1.064 36 W CA -0.576 56.584 57.345 -0.308 0.000 1.237 36 W CB 2.356 31.485 29.460 -0.551 0.000 1.391 36 W HN 0.741 nan 8.180 nan 0.000 0.468 37 S N 4.406 120.261 115.700 0.258 0.000 2.420 37 S HA 0.586 5.056 4.470 -0.000 0.000 0.313 37 S C -0.402 174.345 174.600 0.244 0.000 1.079 37 S CA -0.434 57.884 58.200 0.196 0.000 1.104 37 S CB -0.036 63.233 63.200 0.115 0.000 0.969 37 S HN 0.423 nan 8.310 nan 0.000 0.471 38 M N 4.307 124.002 119.600 0.159 0.000 2.047 38 M HA 0.307 4.787 4.480 -0.000 0.000 0.342 38 M C -0.347 176.038 176.300 0.143 0.000 1.058 38 M CA -0.371 54.987 55.300 0.097 0.000 0.991 38 M CB 1.598 34.158 32.600 -0.066 0.000 1.474 38 M HN 0.404 nan 8.290 nan 0.000 0.419 39 S N 1.482 117.294 115.700 0.187 0.000 2.465 39 S HA 0.241 4.711 4.470 -0.000 0.000 0.279 39 S C 1.065 175.979 174.600 0.524 0.000 1.201 39 S CA -0.645 57.739 58.200 0.306 0.000 1.053 39 S CB 0.613 63.980 63.200 0.279 0.000 0.953 39 S HN 0.786 nan 8.310 nan 0.000 0.488 40 T N 0.505 115.370 114.554 0.519 0.000 3.176 40 T HA 0.380 4.729 4.350 -0.000 0.000 0.263 40 T C -0.084 174.893 174.700 0.462 0.000 1.021 40 T CA -0.308 62.162 62.100 0.617 0.000 0.905 40 T CB -0.464 68.704 68.868 0.500 0.000 1.057 40 T HN 0.361 nan 8.240 nan 0.000 0.558 41 L N 0.722 122.156 121.223 0.352 0.000 2.408 41 L HA 0.837 5.177 4.340 -0.000 0.000 0.268 41 L C -1.854 174.977 176.870 -0.065 0.000 0.986 41 L CA -1.399 53.481 54.840 0.066 0.000 0.820 41 L CB 2.115 44.223 42.059 0.082 0.000 1.303 41 L HN 0.209 nan 8.230 nan 0.000 0.411 42 F N 4.456 124.063 119.950 -0.570 0.000 2.507 42 F HA 0.615 5.142 4.527 -0.000 0.000 0.325 42 F C 0.501 176.077 175.800 -0.374 0.000 1.116 42 F CA -0.317 57.307 58.000 -0.628 0.000 0.930 42 F CB 1.828 40.002 39.000 -1.377 0.000 1.146 42 F HN 0.644 nan 8.300 nan 0.000 0.447 43 R N 2.755 122.716 120.500 -0.899 0.000 2.225 43 R HA 0.296 4.636 4.340 -0.000 0.000 0.194 43 R C 0.485 176.285 176.300 -0.834 0.000 0.949 43 R CA 0.379 56.108 56.100 -0.618 0.000 1.088 43 R CB 0.461 30.568 30.300 -0.322 0.000 1.106 43 R HN 0.964 nan 8.270 nan 0.000 0.566 44 G N 1.790 109.797 108.800 -1.322 0.000 2.341 44 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.278 44 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.278 44 G C 0.262 175.009 174.900 -0.255 0.000 1.111 44 G CA -0.279 44.321 45.100 -0.833 0.000 0.982 44 G HN 0.059 nan 8.290 nan 0.000 0.502 45 L N -0.026 121.091 121.223 -0.176 0.000 2.093 45 L HA 0.085 4.425 4.340 -0.000 0.000 0.208 45 L C 2.636 179.465 176.870 -0.068 0.000 1.085 45 L CA 2.620 57.408 54.840 -0.087 0.000 0.755 45 L CB -0.456 41.559 42.059 -0.074 0.000 0.904 45 L HN 0.595 nan 8.230 nan 0.000 0.435 46 E N -1.080 119.125 120.200 0.008 0.000 2.153 46 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 46 E C 2.175 178.793 176.600 0.029 0.000 0.988 46 E CA 1.235 57.661 56.400 0.042 0.000 0.811 46 E CB -0.237 29.538 29.700 0.125 0.000 0.746 46 E HN 0.474 nan 8.360 nan 0.000 0.466 47 M N 0.122 119.751 119.600 0.048 0.000 2.229 47 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 47 M C 2.145 178.435 176.300 -0.017 0.000 1.063 47 M CA 1.199 56.528 55.300 0.049 0.000 1.114 47 M CB -0.084 32.581 32.600 0.109 0.000 1.387 47 M HN 0.107 nan 8.290 nan 0.000 0.420 48 I N -0.289 120.242 120.570 -0.064 0.000 2.500 48 I HA -0.214 3.956 4.170 -0.000 0.000 0.252 48 I C 2.115 178.070 176.117 -0.269 0.000 1.142 48 I CA 0.586 61.810 61.300 -0.126 0.000 1.451 48 I CB -0.134 37.816 38.000 -0.083 0.000 1.093 48 I HN 0.221 nan 8.210 nan 0.000 0.430 49 L N 0.638 121.691 121.223 -0.284 0.000 2.056 49 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 49 L C 1.285 178.042 176.870 -0.187 0.000 1.078 49 L CA 1.325 55.956 54.840 -0.348 0.000 0.749 49 L CB -0.759 41.116 42.059 -0.305 0.000 0.901 49 L HN 0.015 nan 8.230 nan 0.000 0.433 50 K N 0.735 121.082 120.400 -0.090 0.000 2.472 50 K HA -0.084 4.236 4.320 -0.000 0.000 0.269 50 K C 1.184 177.750 176.600 -0.057 0.000 1.056 50 K CA 1.049 57.313 56.287 -0.038 0.000 1.158 50 K CB -0.606 31.883 32.500 -0.018 0.000 0.821 50 K HN 0.514 nan 8.250 nan 0.000 0.486 51 G N 3.277 112.055 108.800 -0.036 0.000 2.168 51 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.263 51 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.263 51 G C 0.398 175.267 174.900 -0.053 0.000 0.977 51 G CA 0.610 45.687 45.100 -0.038 0.000 0.659 51 G HN 0.620 nan 8.290 nan 0.000 0.533 52 R N -0.051 120.400 120.500 -0.081 0.000 2.531 52 R HA 0.387 4.727 4.340 -0.000 0.000 0.260 52 R C -0.300 175.981 176.300 -0.030 0.000 1.144 52 R CA -0.624 55.423 56.100 -0.088 0.000 1.171 52 R CB 0.301 30.468 30.300 -0.221 0.000 1.199 52 R HN 0.176 nan 8.270 nan 0.000 0.594 53 D N 1.115 121.523 120.400 0.013 0.000 2.343 53 D HA 0.069 4.708 4.640 -0.000 0.000 0.255 53 D C -1.702 174.677 176.300 0.133 0.000 1.187 53 D CA -1.993 52.057 54.000 0.084 0.000 0.875 53 D CB 1.341 42.219 40.800 0.131 0.000 1.136 53 D HN 0.102 nan 8.370 nan 0.000 0.469 54 P HA -0.123 nan 4.420 nan 0.000 0.218 54 P C 1.086 178.526 177.300 0.233 0.000 1.146 54 P CA 1.034 64.277 63.100 0.238 0.000 0.813 54 P CB 0.227 32.120 31.700 0.322 0.000 0.778 55 R N -0.873 119.804 120.500 0.295 0.000 2.237 55 R HA -0.080 4.260 4.340 -0.000 0.000 0.219 55 R C 1.205 177.640 176.300 0.225 0.000 1.080 55 R CA 1.018 57.273 56.100 0.258 0.000 0.995 55 R CB -0.396 30.109 30.300 0.342 0.000 0.875 55 R HN 0.253 nan 8.270 nan 0.000 0.462 56 D N 0.206 120.746 120.400 0.232 0.000 2.240 56 D HA 0.040 4.680 4.640 -0.000 0.000 0.206 56 D C 1.773 178.229 176.300 0.259 0.000 0.963 56 D CA 0.826 55.021 54.000 0.326 0.000 0.863 56 D CB -0.159 40.827 40.800 0.309 0.000 0.973 56 D HN 0.103 nan 8.370 nan 0.000 0.501 57 A N 1.905 124.764 122.820 0.065 0.000 1.909 57 A HA -0.377 3.943 4.320 -0.000 0.000 0.221 57 A C 2.165 179.700 177.584 -0.082 0.000 1.223 57 A CA 2.973 54.934 52.037 -0.128 0.000 0.658 57 A CB -1.203 17.660 19.000 -0.229 0.000 0.831 57 A HN 0.467 nan 8.150 nan 0.000 0.462 58 Q N -1.822 117.915 119.800 -0.106 0.000 2.152 58 Q HA -0.276 4.064 4.340 -0.000 0.000 0.206 58 Q C 1.831 177.697 176.000 -0.222 0.000 0.985 58 Q CA 1.943 57.633 55.803 -0.190 0.000 0.863 58 Q CB -0.669 27.896 28.738 -0.287 0.000 0.904 58 Q HN 0.817 nan 8.270 nan 0.000 0.422 59 H N -0.896 118.193 119.070 0.032 0.000 2.436 59 H HA 0.005 4.561 4.556 -0.000 0.000 0.294 59 H C 1.624 176.851 175.328 -0.167 0.000 1.048 59 H CA 1.128 57.135 56.048 -0.068 0.000 1.353 59 H CB -0.147 29.563 29.762 -0.087 0.000 1.414 59 H HN 0.306 nan 8.280 nan 0.000 0.536 60 F N 1.349 121.273 119.950 -0.044 0.000 2.098 60 F HA -0.168 4.359 4.527 -0.000 0.000 0.294 60 F C 2.924 178.618 175.800 -0.176 0.000 1.107 60 F CA 1.743 59.672 58.000 -0.117 0.000 1.234 60 F CB -0.702 38.202 39.000 -0.160 0.000 1.002 60 F HN 0.174 nan 8.300 nan 0.000 0.472 61 T N -2.125 112.416 114.554 -0.021 0.000 2.788 61 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 61 T C 1.881 176.535 174.700 -0.076 0.000 1.044 61 T CA 1.389 63.425 62.100 -0.107 0.000 1.139 61 T CB -0.716 68.112 68.868 -0.066 0.000 0.867 61 T HN 0.332 nan 8.240 nan 0.000 0.454 62 Q N 0.539 120.320 119.800 -0.032 0.000 2.197 62 Q HA -0.126 4.214 4.340 -0.000 0.000 0.207 62 Q C 1.822 177.745 176.000 -0.128 0.000 0.984 62 Q CA 1.165 56.958 55.803 -0.017 0.000 0.869 62 Q CB -0.043 28.650 28.738 -0.075 0.000 0.906 62 Q HN 0.307 nan 8.270 nan 0.000 0.426 63 R N -0.547 119.819 120.500 -0.224 0.000 2.328 63 R HA 0.101 4.440 4.340 -0.000 0.000 0.200 63 R C 1.393 177.656 176.300 -0.062 0.000 0.983 63 R CA 0.660 56.656 56.100 -0.175 0.000 1.062 63 R CB -0.506 29.684 30.300 -0.183 0.000 0.956 63 R HN 0.282 nan 8.270 nan 0.000 0.479 64 A N -0.956 121.777 122.820 -0.145 0.000 2.067 64 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 64 A C 0.665 178.241 177.584 -0.014 0.000 1.158 64 A CA 0.843 52.781 52.037 -0.165 0.000 0.661 64 A CB 0.047 18.753 19.000 -0.489 0.000 0.801 64 A HN 0.365 nan 8.150 nan 0.000 0.452 65 C N -3.068 116.284 119.300 0.086 0.000 3.046 65 C HA 0.552 5.012 4.460 -0.000 0.000 0.388 65 C C 1.198 176.370 174.990 0.304 0.000 1.041 65 C CA -0.217 58.921 59.018 0.200 0.000 1.241 65 C CB 0.901 28.783 27.740 0.238 0.000 1.638 65 C HN 0.493 nan 8.230 nan 0.000 0.539 66 G N 2.681 111.609 108.800 0.214 0.000 3.088 66 G HA2 0.232 4.192 3.960 -0.000 0.000 0.217 66 G HA3 0.232 4.192 3.960 -0.000 0.000 0.217 66 G C 0.908 175.828 174.900 0.034 0.000 1.159 66 G CA 0.972 46.099 45.100 0.044 0.000 0.760 66 G HN 0.695 nan 8.290 nan 0.000 0.550 67 V N 0.904 120.883 119.914 0.108 0.000 2.341 67 V HA -0.043 4.077 4.120 -0.000 0.000 0.240 67 V C 2.110 178.295 176.094 0.152 0.000 1.035 67 V CA 1.395 63.770 62.300 0.125 0.000 1.033 67 V CB -0.222 31.679 31.823 0.130 0.000 0.678 67 V HN 0.565 nan 8.190 nan 0.000 0.464 68 C N 0.960 120.362 119.300 0.170 0.000 2.687 68 C HA 0.477 4.937 4.460 -0.000 0.000 0.490 68 C C 0.938 176.063 174.990 0.225 0.000 1.265 68 C CA -0.986 58.133 59.018 0.168 0.000 1.569 68 C CB -2.095 25.724 27.740 0.131 0.000 2.080 68 C HN 0.388 nan 8.230 nan 0.000 0.618 69 T N 0.453 115.148 114.554 0.234 0.000 2.926 69 T HA 0.281 4.630 4.350 -0.000 0.000 0.307 69 T C 0.382 175.305 174.700 0.373 0.000 1.059 69 T CA 1.549 63.834 62.100 0.309 0.000 1.122 69 T CB 0.200 69.183 68.868 0.191 0.000 0.972 69 T HN 1.311 nan 8.240 nan 0.000 0.545 70 Y N 2.384 122.821 120.300 0.228 0.000 2.732 70 Y HA -0.398 4.152 4.550 -0.000 0.000 0.478 70 Y C 1.692 177.653 175.900 0.101 0.000 1.224 70 Y CA 3.343 61.549 58.100 0.175 0.000 2.687 70 Y CB -2.072 36.493 38.460 0.175 0.000 1.030 70 Y HN 0.525 nan 8.280 nan 0.000 0.559 71 V N 0.057 119.829 119.914 -0.236 0.000 2.370 71 V HA -0.327 3.793 4.120 -0.000 0.000 0.252 71 V C 2.173 177.973 176.094 -0.490 0.000 1.068 71 V CA 2.801 64.843 62.300 -0.430 0.000 1.061 71 V CB -0.964 30.707 31.823 -0.252 0.000 0.656 71 V HN 0.739 nan 8.190 nan 0.000 0.455 72 H N 0.442 119.421 119.070 -0.152 0.000 2.436 72 H HA 0.246 4.802 4.556 -0.000 0.000 0.294 72 H C 2.525 177.780 175.328 -0.122 0.000 1.048 72 H CA 1.470 57.474 56.048 -0.074 0.000 1.353 72 H CB -0.112 29.738 29.762 0.148 0.000 1.414 72 H HN 0.621 nan 8.280 nan 0.000 0.536 73 A N 1.665 124.457 122.820 -0.047 0.000 1.877 73 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 73 A C 2.583 180.029 177.584 -0.230 0.000 1.186 73 A CA 0.882 52.863 52.037 -0.094 0.000 0.620 73 A CB -0.900 18.103 19.000 0.004 0.000 0.822 73 A HN 0.293 nan 8.150 nan 0.000 0.443 74 L N -0.684 120.275 121.223 -0.439 0.000 1.989 74 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 74 L C 2.991 179.620 176.870 -0.402 0.000 1.071 74 L CA 1.771 56.332 54.840 -0.465 0.000 0.749 74 L CB -0.606 41.038 42.059 -0.690 0.000 0.890 74 L HN 0.455 nan 8.230 nan 0.000 0.431 75 A N -1.448 121.067 122.820 -0.508 0.000 1.972 75 A HA -0.201 4.118 4.320 -0.000 0.000 0.219 75 A C 2.405 179.733 177.584 -0.426 0.000 1.169 75 A CA 2.036 53.702 52.037 -0.618 0.000 0.635 75 A CB -0.533 17.812 19.000 -1.093 0.000 0.810 75 A HN 0.492 nan 8.150 nan 0.000 0.446 76 S N -0.714 114.873 115.700 -0.188 0.000 2.357 76 S HA -0.121 4.349 4.470 -0.000 0.000 0.221 76 S C 2.095 176.689 174.600 -0.010 0.000 1.031 76 S CA 1.544 59.849 58.200 0.176 0.000 0.982 76 S CB -0.554 62.807 63.200 0.268 0.000 0.853 76 S HN 0.854 nan 8.310 nan 0.000 0.458 77 V N 0.749 120.585 119.914 -0.130 0.000 2.515 77 V HA -0.040 4.080 4.120 -0.000 0.000 0.250 77 V C 1.978 177.935 176.094 -0.229 0.000 1.058 77 V CA 1.412 63.601 62.300 -0.184 0.000 1.064 77 V CB -0.749 30.950 31.823 -0.207 0.000 0.675 77 V HN 0.293 nan 8.190 nan 0.000 0.461 78 R N 0.849 121.194 120.500 -0.258 0.000 2.115 78 R HA 0.171 4.511 4.340 -0.000 0.000 0.226 78 R C 2.526 178.638 176.300 -0.313 0.000 1.100 78 R CA 1.314 57.232 56.100 -0.303 0.000 0.980 78 R CB -0.551 29.547 30.300 -0.338 0.000 0.875 78 R HN 0.617 nan 8.270 nan 0.000 0.445 79 A N 0.595 123.248 122.820 -0.279 0.000 1.929 79 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 79 A C 2.204 179.677 177.584 -0.184 0.000 1.176 79 A CA 1.059 52.932 52.037 -0.274 0.000 0.628 79 A CB -0.130 18.701 19.000 -0.280 0.000 0.816 79 A HN 0.101 nan 8.150 nan 0.000 0.444 80 V N 0.276 120.101 119.914 -0.148 0.000 2.649 80 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 80 V C 1.913 177.847 176.094 -0.267 0.000 1.054 80 V CA 1.671 63.881 62.300 -0.151 0.000 1.073 80 V CB -0.727 31.032 31.823 -0.107 0.000 0.699 80 V HN 0.408 nan 8.190 nan 0.000 0.463 81 D N 0.873 121.094 120.400 -0.298 0.000 2.084 81 D HA -0.189 4.451 4.640 -0.000 0.000 0.194 81 D C 2.051 178.263 176.300 -0.146 0.000 0.990 81 D CA 1.841 55.665 54.000 -0.292 0.000 0.826 81 D CB -0.469 40.171 40.800 -0.267 0.000 0.971 81 D HN 0.441 nan 8.370 nan 0.000 0.453 82 N N 0.193 118.789 118.700 -0.173 0.000 2.104 82 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 82 N C 1.865 177.383 175.510 0.013 0.000 1.024 82 N CA 1.715 54.707 53.050 -0.097 0.000 0.853 82 N CB -0.240 38.110 38.487 -0.229 0.000 1.008 82 N HN 0.337 nan 8.380 nan 0.000 0.424 83 C N -1.426 117.853 119.300 -0.034 0.000 2.522 83 C HA 0.278 4.738 4.460 -0.000 0.000 0.271 83 C C 1.851 176.875 174.990 0.055 0.000 1.425 83 C CA -0.166 58.865 59.018 0.021 0.000 1.751 83 C CB -1.080 26.674 27.740 0.024 0.000 1.775 83 C HN 0.244 nan 8.230 nan 0.000 0.557 84 V N 0.806 120.737 119.914 0.028 0.000 3.528 84 V HA 0.401 4.521 4.120 -0.000 0.000 0.294 84 V C 1.919 178.053 176.094 0.068 0.000 1.404 84 V CA 1.148 63.483 62.300 0.059 0.000 1.065 84 V CB -0.081 31.691 31.823 -0.085 0.000 0.904 84 V HN 0.763 nan 8.190 nan 0.000 0.435 85 G N 0.942 109.787 108.800 0.075 0.000 2.203 85 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.263 85 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.263 85 G C 0.358 175.283 174.900 0.042 0.000 1.012 85 G CA 0.701 45.845 45.100 0.074 0.000 0.749 85 G HN 0.600 nan 8.290 nan 0.000 0.512 86 V N 0.020 119.967 119.914 0.056 0.000 2.686 86 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 86 V C 0.417 176.560 176.094 0.082 0.000 1.055 86 V CA -0.356 61.953 62.300 0.015 0.000 1.050 86 V CB 1.418 33.201 31.823 -0.067 0.000 0.984 86 V HN 0.163 nan 8.190 nan 0.000 0.482 87 K N 7.712 128.122 120.400 0.017 0.000 2.414 87 K HA 0.354 4.674 4.320 -0.000 0.000 0.251 87 K C -0.229 176.364 176.600 -0.012 0.000 1.037 87 K CA -0.413 55.891 56.287 0.029 0.000 0.980 87 K CB 1.037 33.510 32.500 -0.045 0.000 1.280 87 K HN 0.807 nan 8.250 nan 0.000 0.451 88 I N 1.022 121.582 120.570 -0.017 0.000 2.720 88 I HA 0.374 4.544 4.170 -0.000 0.000 0.287 88 I C -2.229 173.869 176.117 -0.033 0.000 1.090 88 I CA -1.898 59.366 61.300 -0.060 0.000 1.384 88 I CB 0.587 38.533 38.000 -0.090 0.000 1.420 88 I HN 0.212 nan 8.210 nan 0.000 0.575 89 P HA 0.072 nan 4.420 nan 0.000 0.272 89 P C 0.391 177.679 177.300 -0.020 0.000 1.223 89 P CA -0.168 62.927 63.100 -0.009 0.000 0.784 89 P CB 0.628 32.337 31.700 0.015 0.000 0.923 90 E N 1.542 121.734 120.200 -0.013 0.000 2.097 90 E HA -0.317 4.032 4.350 -0.000 0.000 0.196 90 E C 1.171 177.745 176.600 -0.043 0.000 1.000 90 E CA 1.534 57.920 56.400 -0.023 0.000 0.804 90 E CB -0.157 29.538 29.700 -0.008 0.000 0.740 90 E HN 0.323 nan 8.360 nan 0.000 0.454 91 N N -0.085 118.595 118.700 -0.033 0.000 2.309 91 N HA -0.097 4.643 4.740 -0.000 0.000 0.182 91 N C 1.319 176.780 175.510 -0.081 0.000 1.018 91 N CA 1.132 54.150 53.050 -0.054 0.000 0.876 91 N CB -0.222 38.252 38.487 -0.021 0.000 0.972 91 N HN 0.260 nan 8.380 nan 0.000 0.434 92 A N -0.493 122.288 122.820 -0.065 0.000 2.016 92 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 92 A C 2.280 179.802 177.584 -0.104 0.000 1.162 92 A CA 1.239 53.229 52.037 -0.078 0.000 0.662 92 A CB -0.614 18.347 19.000 -0.066 0.000 0.812 92 A HN 0.197 nan 8.150 nan 0.000 0.450 93 T N 0.559 115.049 114.554 -0.107 0.000 2.701 93 T HA -0.067 4.283 4.350 -0.000 0.000 0.263 93 T C 1.837 176.412 174.700 -0.209 0.000 1.040 93 T CA 1.440 63.459 62.100 -0.136 0.000 1.147 93 T CB -0.382 68.423 68.868 -0.106 0.000 0.865 93 T HN 0.359 nan 8.240 nan 0.000 0.426 94 L N 0.693 121.789 121.223 -0.211 0.000 2.012 94 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 94 L C 2.685 179.334 176.870 -0.367 0.000 1.073 94 L CA 1.597 56.263 54.840 -0.289 0.000 0.748 94 L CB -0.518 41.436 42.059 -0.176 0.000 0.891 94 L HN 0.325 nan 8.230 nan 0.000 0.431 95 M N -0.543 118.860 119.600 -0.328 0.000 2.213 95 M HA -0.221 4.259 4.480 -0.000 0.000 0.263 95 M C 2.358 178.517 176.300 -0.235 0.000 1.062 95 M CA 1.644 56.682 55.300 -0.436 0.000 1.105 95 M CB -0.006 32.406 32.600 -0.314 0.000 1.385 95 M HN 0.044 nan 8.290 nan 0.000 0.417 96 R N 0.048 120.497 120.500 -0.084 0.000 2.115 96 R HA -0.045 4.295 4.340 -0.000 0.000 0.226 96 R C 1.722 178.016 176.300 -0.009 0.000 1.100 96 R CA 1.576 57.722 56.100 0.076 0.000 0.980 96 R CB -0.206 30.107 30.300 0.023 0.000 0.875 96 R HN 0.438 nan 8.270 nan 0.000 0.445 97 N N 0.152 118.703 118.700 -0.248 0.000 2.207 97 N HA -0.048 4.692 4.740 -0.000 0.000 0.182 97 N C 1.591 176.886 175.510 -0.358 0.000 1.020 97 N CA 0.910 53.693 53.050 -0.445 0.000 0.858 97 N CB -0.045 37.779 38.487 -1.104 0.000 0.991 97 N HN 0.131 nan 8.380 nan 0.000 0.427 98 L N 0.350 121.383 121.223 -0.317 0.000 2.093 98 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 98 L C 1.891 178.793 176.870 0.054 0.000 1.085 98 L CA 1.068 55.861 54.840 -0.079 0.000 0.755 98 L CB -0.543 41.231 42.059 -0.475 0.000 0.904 98 L HN 0.171 nan 8.230 nan 0.000 0.435 99 T N -0.682 113.832 114.554 -0.066 0.000 2.867 99 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 99 T C 1.730 176.448 174.700 0.030 0.000 1.057 99 T CA 1.444 63.476 62.100 -0.113 0.000 1.136 99 T CB -0.098 68.458 68.868 -0.520 0.000 0.874 99 T HN 0.187 nan 8.240 nan 0.000 0.466 100 M N 1.578 121.312 119.600 0.224 0.000 2.288 100 M HA 0.245 4.725 4.480 -0.000 0.000 0.266 100 M C 2.204 178.730 176.300 0.377 0.000 1.072 100 M CA 1.298 56.840 55.300 0.403 0.000 1.132 100 M CB -0.818 31.976 32.600 0.324 0.000 1.386 100 M HN 0.159 nan 8.290 nan 0.000 0.432 101 G N -0.359 108.668 108.800 0.377 0.000 2.421 101 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 101 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 101 G C 1.569 176.665 174.900 0.326 0.000 1.171 101 G CA 0.932 46.225 45.100 0.322 0.000 0.775 101 G HN 0.649 nan 8.290 nan 0.000 0.543 102 A N 0.206 123.220 122.820 0.324 0.000 1.978 102 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 102 A C 2.301 180.054 177.584 0.282 0.000 1.170 102 A CA 2.321 54.533 52.037 0.293 0.000 0.636 102 A CB -0.395 18.771 19.000 0.277 0.000 0.810 102 A HN 0.448 nan 8.150 nan 0.000 0.448 103 Q N -1.382 118.601 119.800 0.306 0.000 2.119 103 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 103 Q C 1.622 177.838 176.000 0.360 0.000 0.972 103 Q CA 1.809 57.801 55.803 0.315 0.000 0.847 103 Q CB -0.523 28.432 28.738 0.361 0.000 0.903 103 Q HN 0.657 nan 8.270 nan 0.000 0.433 104 Y N -0.169 120.224 120.300 0.155 0.000 2.184 104 Y HA -0.062 4.487 4.550 -0.000 0.000 0.290 104 Y C 2.201 178.140 175.900 0.065 0.000 1.129 104 Y CA 1.204 59.306 58.100 0.004 0.000 1.144 104 Y CB -0.572 37.987 38.460 0.165 0.000 0.995 104 Y HN 0.136 nan 8.280 nan 0.000 0.513 105 M N -1.102 118.731 119.600 0.388 0.000 2.088 105 M HA -0.335 4.145 4.480 -0.000 0.000 0.256 105 M C 2.335 178.801 176.300 0.277 0.000 1.071 105 M CA 2.217 57.716 55.300 0.332 0.000 1.097 105 M CB -0.786 31.997 32.600 0.305 0.000 1.315 105 M HN 0.372 nan 8.290 nan 0.000 0.406 106 H N -0.064 119.101 119.070 0.157 0.000 2.276 106 H HA -0.175 4.381 4.556 -0.000 0.000 0.301 106 H C 1.751 177.142 175.328 0.106 0.000 1.073 106 H CA 2.001 58.116 56.048 0.113 0.000 1.311 106 H CB -0.255 29.562 29.762 0.091 0.000 1.379 106 H HN 0.302 nan 8.280 nan 0.000 0.494 107 D N -0.113 120.402 120.400 0.192 0.000 2.137 107 D HA -0.183 4.457 4.640 -0.000 0.000 0.189 107 D C 2.200 178.564 176.300 0.107 0.000 0.998 107 D CA 1.663 55.727 54.000 0.106 0.000 0.839 107 D CB -0.552 40.260 40.800 0.020 0.000 0.962 107 D HN 0.586 nan 8.370 nan 0.000 0.446 108 H N -0.213 118.927 119.070 0.117 0.000 2.319 108 H HA -0.094 4.462 4.556 -0.000 0.000 0.297 108 H C 2.394 177.706 175.328 -0.026 0.000 1.097 108 H CA 0.621 56.742 56.048 0.123 0.000 1.285 108 H CB 0.021 29.921 29.762 0.229 0.000 1.368 108 H HN 0.120 nan 8.280 nan 0.000 0.495 109 L N 0.216 121.458 121.223 0.031 0.000 2.017 109 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 109 L C 2.375 179.187 176.870 -0.096 0.000 1.073 109 L CA 1.033 55.785 54.840 -0.147 0.000 0.745 109 L CB -0.194 41.867 42.059 0.004 0.000 0.894 109 L HN 0.186 nan 8.230 nan 0.000 0.432 110 V N -0.791 119.068 119.914 -0.090 0.000 2.343 110 V HA -0.338 3.782 4.120 -0.000 0.000 0.247 110 V C 2.458 178.540 176.094 -0.021 0.000 1.051 110 V CA 1.902 64.172 62.300 -0.051 0.000 1.036 110 V CB -0.880 30.917 31.823 -0.044 0.000 0.654 110 V HN 0.572 nan 8.190 nan 0.000 0.451 111 H N -0.770 118.296 119.070 -0.006 0.000 2.290 111 H HA -0.249 4.307 4.556 -0.000 0.000 0.298 111 H C 2.332 177.660 175.328 0.001 0.000 1.087 111 H CA 2.520 58.589 56.048 0.034 0.000 1.291 111 H CB -0.217 29.613 29.762 0.114 0.000 1.369 111 H HN 0.399 nan 8.280 nan 0.000 0.492 112 F N 1.023 120.854 119.950 -0.198 0.000 2.043 112 F HA -0.299 4.228 4.527 -0.000 0.000 0.297 112 F C 1.977 177.518 175.800 -0.432 0.000 1.121 112 F CA 1.908 59.699 58.000 -0.348 0.000 1.199 112 F CB -0.929 37.750 39.000 -0.535 0.000 0.968 112 F HN 0.130 nan 8.300 nan 0.000 0.478 113 Y N -0.800 119.135 120.300 -0.608 0.000 2.206 113 Y HA -0.077 4.473 4.550 -0.000 0.000 0.292 113 Y C 2.582 178.097 175.900 -0.643 0.000 1.123 113 Y CA 2.132 59.796 58.100 -0.726 0.000 1.142 113 Y CB -0.995 37.003 38.460 -0.770 0.000 1.006 113 Y HN 0.221 nan 8.280 nan 0.000 0.518 114 H N -2.508 116.466 119.070 -0.161 0.000 2.582 114 H HA 0.090 4.646 4.556 0.000 0.000 0.269 114 H C 1.282 176.563 175.328 -0.077 0.000 0.962 114 H CA 0.349 56.286 56.048 -0.185 0.000 1.230 114 H CB 0.339 29.936 29.762 -0.274 0.000 1.445 114 H HN 0.142 nan 8.280 nan 0.000 0.528 115 L N -1.106 120.051 121.223 -0.110 0.000 2.349 115 L HA 0.067 4.407 4.340 -0.000 0.000 0.200 115 L C 2.056 178.696 176.870 -0.384 0.000 1.064 115 L CA 1.530 56.252 54.840 -0.197 0.000 0.821 115 L CB -0.289 41.701 42.059 -0.114 0.000 1.027 115 L HN 0.326 nan 8.230 nan 0.000 0.476 116 H N -1.847 116.877 119.070 -0.576 0.000 2.439 116 H HA 0.130 4.685 4.556 -0.000 0.000 0.299 116 H C 2.077 177.286 175.328 -0.199 0.000 1.033 116 H CA 0.616 56.398 56.048 -0.445 0.000 1.348 116 H CB 0.685 30.195 29.762 -0.420 0.000 1.449 116 H HN 0.261 nan 8.280 nan 0.000 0.544 117 A N 1.365 124.034 122.820 -0.252 0.000 1.915 117 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 117 A C 1.905 179.510 177.584 0.035 0.000 1.198 117 A CA 1.478 53.389 52.037 -0.210 0.000 0.647 117 A CB -0.860 17.970 19.000 -0.284 0.000 0.825 117 A HN 0.337 nan 8.150 nan 0.000 0.456 118 L N 0.111 121.379 121.223 0.074 0.000 2.740 118 L HA -0.114 4.226 4.340 -0.000 0.000 0.242 118 L C 0.620 177.585 176.870 0.158 0.000 1.175 118 L CA 1.461 56.405 54.840 0.173 0.000 0.859 118 L CB -0.862 41.336 42.059 0.233 0.000 0.992 118 L HN 0.359 nan 8.230 nan 0.000 0.454 119 D N -3.240 117.081 120.400 -0.132 0.000 2.417 119 D HA -0.019 4.621 4.640 -0.000 0.000 0.207 119 D C 1.497 177.115 176.300 -1.136 0.000 1.075 119 D CA 0.450 54.136 54.000 -0.523 0.000 0.851 119 D CB 0.121 40.452 40.800 -0.781 0.000 0.976 119 D HN 0.362 nan 8.370 nan 0.000 0.505 120 W N 0.284 121.373 121.300 -0.352 0.000 2.873 120 W HA 0.250 4.910 4.660 -0.000 0.000 0.282 120 W C 0.303 176.803 176.519 -0.031 0.000 1.118 120 W CA -0.107 56.962 57.345 -0.460 0.000 1.480 120 W CB 0.506 29.647 29.460 -0.532 0.000 0.954 120 W HN -0.358 nan 8.180 nan 0.000 0.591 121 V N 2.783 122.843 119.914 0.243 0.000 2.435 121 V HA 0.236 4.356 4.120 -0.000 0.000 0.290 121 V C -0.282 175.761 176.094 -0.084 0.000 1.030 121 V CA -0.808 61.572 62.300 0.134 0.000 0.881 121 V CB 1.280 33.114 31.823 0.017 0.000 0.983 121 V HN -0.040 nan 8.190 nan 0.000 0.445 122 N N 4.335 122.884 118.700 -0.252 0.000 2.558 122 N HA 0.155 4.895 4.740 -0.000 0.000 0.233 122 N C 0.732 175.737 175.510 -0.843 0.000 1.038 122 N CA -0.066 52.458 53.050 -0.878 0.000 0.934 122 N CB 1.496 39.712 38.487 -0.451 0.000 1.175 122 N HN 0.378 nan 8.380 nan 0.000 0.512 123 V N 3.172 122.379 119.914 -1.178 0.000 2.469 123 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 123 V C 2.293 178.104 176.094 -0.472 0.000 1.064 123 V CA 2.244 64.142 62.300 -0.670 0.000 1.066 123 V CB -0.889 30.553 31.823 -0.636 0.000 0.667 123 V HN 0.745 nan 8.190 nan 0.000 0.461 124 A N 0.120 122.700 122.820 -0.400 0.000 2.019 124 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 124 A C 2.035 179.526 177.584 -0.154 0.000 1.164 124 A CA 2.063 53.993 52.037 -0.179 0.000 0.644 124 A CB -0.707 18.291 19.000 -0.004 0.000 0.805 124 A HN 0.584 nan 8.150 nan 0.000 0.449 125 N N 0.102 118.692 118.700 -0.183 0.000 2.409 125 N HA 0.039 4.779 4.740 -0.000 0.000 0.179 125 N C 1.596 177.031 175.510 -0.126 0.000 1.032 125 N CA 1.137 54.108 53.050 -0.132 0.000 0.898 125 N CB -0.322 38.084 38.487 -0.135 0.000 0.971 125 N HN 0.341 nan 8.380 nan 0.000 0.441 126 A N 0.422 123.146 122.820 -0.160 0.000 2.024 126 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 126 A C 2.107 179.628 177.584 -0.106 0.000 1.164 126 A CA 0.804 52.758 52.037 -0.137 0.000 0.643 126 A CB -0.665 18.234 19.000 -0.168 0.000 0.806 126 A HN 0.380 nan 8.150 nan 0.000 0.451 127 L N -0.267 120.894 121.223 -0.104 0.000 2.275 127 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 127 L C 1.162 177.996 176.870 -0.060 0.000 1.119 127 L CA 0.881 55.674 54.840 -0.079 0.000 0.790 127 L CB -0.398 41.614 42.059 -0.079 0.000 0.919 127 L HN 0.465 nan 8.230 nan 0.000 0.443 128 N N -0.031 118.632 118.700 -0.062 0.000 2.280 128 N HA 0.105 4.845 4.740 -0.000 0.000 0.192 128 N C 0.518 175.999 175.510 -0.048 0.000 1.109 128 N CA 0.154 53.175 53.050 -0.049 0.000 0.855 128 N CB 0.429 38.889 38.487 -0.046 0.000 0.974 128 N HN 0.101 nan 8.380 nan 0.000 0.482 129 A N 0.891 123.677 122.820 -0.055 0.000 2.304 129 A HA 0.240 4.560 4.320 -0.000 0.000 0.271 129 A C -0.204 177.357 177.584 -0.038 0.000 1.091 129 A CA -0.368 51.639 52.037 -0.050 0.000 0.812 129 A CB 0.449 19.412 19.000 -0.060 0.000 1.056 129 A HN 0.074 nan 8.150 nan 0.000 0.489 130 D N 1.533 121.915 120.400 -0.030 0.000 2.359 130 D HA 0.324 4.964 4.640 -0.000 0.000 0.230 130 D C -1.480 174.807 176.300 -0.021 0.000 1.118 130 D CA -2.062 51.925 54.000 -0.022 0.000 0.844 130 D CB 1.145 41.935 40.800 -0.017 0.000 1.059 130 D HN 0.128 nan 8.370 nan 0.000 0.493 131 P HA -0.182 nan 4.420 nan 0.000 0.218 131 P C 0.990 178.283 177.300 -0.012 0.000 1.148 131 P CA 1.058 64.146 63.100 -0.019 0.000 0.822 131 P CB 0.214 31.904 31.700 -0.017 0.000 0.784 132 A N 0.611 123.425 122.820 -0.009 0.000 1.968 132 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 132 A C 2.364 179.946 177.584 -0.003 0.000 1.169 132 A CA 1.734 53.768 52.037 -0.004 0.000 0.638 132 A CB -1.010 17.988 19.000 -0.003 0.000 0.812 132 A HN 0.248 nan 8.150 nan 0.000 0.446 133 K N -0.240 120.157 120.400 -0.006 0.000 2.167 133 K HA 0.138 4.458 4.320 -0.000 0.000 0.203 133 K C 1.979 178.577 176.600 -0.003 0.000 1.052 133 K CA 1.093 57.379 56.287 -0.003 0.000 0.956 133 K CB -0.293 32.205 32.500 -0.004 0.000 0.735 133 K HN 0.260 nan 8.250 nan 0.000 0.451 134 A N 1.325 124.138 122.820 -0.011 0.000 1.873 134 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 134 A C 2.403 179.983 177.584 -0.006 0.000 1.186 134 A CA 1.565 53.593 52.037 -0.015 0.000 0.616 134 A CB -0.868 18.113 19.000 -0.031 0.000 0.823 134 A HN 0.465 nan 8.150 nan 0.000 0.442 135 A N -0.225 122.594 122.820 -0.002 0.000 1.972 135 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 135 A C 2.233 179.825 177.584 0.013 0.000 1.169 135 A CA 1.483 53.525 52.037 0.008 0.000 0.635 135 A CB -0.433 18.572 19.000 0.009 0.000 0.810 135 A HN 0.555 nan 8.150 nan 0.000 0.446 136 R N -1.241 119.265 120.500 0.010 0.000 2.075 136 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 136 R C 2.094 178.404 176.300 0.017 0.000 1.126 136 R CA 1.305 57.412 56.100 0.012 0.000 0.963 136 R CB -0.512 29.793 30.300 0.009 0.000 0.858 136 R HN 0.487 nan 8.270 nan 0.000 0.435 137 L N 0.977 122.212 121.223 0.019 0.000 2.046 137 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 137 L C 2.209 179.100 176.870 0.035 0.000 1.077 137 L CA 1.911 56.769 54.840 0.029 0.000 0.747 137 L CB -0.855 41.223 42.059 0.033 0.000 0.896 137 L HN 0.116 nan 8.230 nan 0.000 0.432 138 A N -0.298 122.542 122.820 0.034 0.000 1.908 138 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 138 A C 2.057 179.672 177.584 0.051 0.000 1.181 138 A CA 1.948 54.016 52.037 0.052 0.000 0.627 138 A CB -0.811 18.217 19.000 0.047 0.000 0.818 138 A HN 0.627 nan 8.150 nan 0.000 0.445 139 N N 0.098 118.819 118.700 0.035 0.000 2.459 139 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 139 N C 0.336 175.856 175.510 0.017 0.000 1.046 139 N CA 1.188 54.254 53.050 0.026 0.000 0.904 139 N CB -0.218 38.281 38.487 0.020 0.000 0.964 139 N HN 0.419 nan 8.380 nan 0.000 0.444 140 D N -0.271 120.140 120.400 0.018 0.000 2.350 140 D HA 0.148 4.788 4.640 -0.000 0.000 0.213 140 D C 1.759 178.062 176.300 0.006 0.000 1.031 140 D CA 0.046 54.051 54.000 0.009 0.000 0.861 140 D CB 0.444 41.250 40.800 0.009 0.000 0.926 140 D HN 0.208 nan 8.370 nan 0.000 0.520 141 L N -0.361 120.871 121.223 0.016 0.000 2.298 141 L HA 0.133 4.473 4.340 -0.000 0.000 0.209 141 L C 0.893 177.762 176.870 -0.003 0.000 1.084 141 L CA 0.386 55.233 54.840 0.011 0.000 0.816 141 L CB 0.160 42.242 42.059 0.039 0.000 0.967 141 L HN -0.028 nan 8.230 nan 0.000 0.460 142 S N -2.202 113.499 115.700 0.001 0.000 2.685 142 S HA 0.488 4.958 4.470 -0.000 0.000 0.282 142 S C -2.432 172.160 174.600 -0.013 0.000 1.159 142 S CA -0.972 57.217 58.200 -0.018 0.000 0.833 142 S CB 1.415 64.594 63.200 -0.033 0.000 1.151 142 S HN -0.223 nan 8.310 nan 0.000 0.485 143 P HA 0.233 nan 4.420 nan 0.000 0.249 143 P C -0.355 176.937 177.300 -0.012 0.000 1.229 143 P CA 0.244 63.333 63.100 -0.018 0.000 0.788 143 P CB 0.012 31.696 31.700 -0.026 0.000 1.072 144 K N 1.213 121.606 120.400 -0.011 0.000 2.227 144 K HA 0.228 4.548 4.320 -0.000 0.000 0.280 144 K C -0.429 176.182 176.600 0.017 0.000 1.041 144 K CA -0.687 55.600 56.287 -0.001 0.000 0.905 144 K CB 0.512 33.003 32.500 -0.014 0.000 1.068 144 K HN -0.304 nan 8.250 nan 0.000 0.470 145 K N 2.302 122.713 120.400 0.018 0.000 2.379 145 K HA 0.113 4.433 4.320 -0.000 0.000 0.284 145 K C -0.860 175.762 176.600 0.037 0.000 1.044 145 K CA 0.247 56.548 56.287 0.024 0.000 0.974 145 K CB 1.206 33.716 32.500 0.017 0.000 0.962 145 K HN 0.510 nan 8.250 nan 0.000 0.474 146 T N 1.867 116.447 114.554 0.043 0.000 2.859 146 T HA 0.409 4.759 4.350 -0.000 0.000 0.281 146 T C -0.232 174.488 174.700 0.034 0.000 1.005 146 T CA -0.926 61.205 62.100 0.052 0.000 1.025 146 T CB 1.354 70.263 68.868 0.068 0.000 0.977 146 T HN 0.686 nan 8.240 nan 0.000 0.458 147 T N -0.925 113.648 114.554 0.031 0.000 2.918 147 T HA 0.375 4.724 4.350 -0.000 0.000 0.286 147 T C 1.376 176.086 174.700 0.016 0.000 1.026 147 T CA -0.716 61.397 62.100 0.020 0.000 1.031 147 T CB 1.294 70.173 68.868 0.018 0.000 1.046 147 T HN 0.375 nan 8.240 nan 0.000 0.479 148 T N 1.771 116.331 114.554 0.009 0.000 2.684 148 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 148 T C 1.633 176.335 174.700 0.003 0.000 1.036 148 T CA 1.928 64.031 62.100 0.004 0.000 1.148 148 T CB -0.428 68.441 68.868 0.001 0.000 0.863 148 T HN 0.776 nan 8.240 nan 0.000 0.436 149 E N 1.751 121.954 120.200 0.005 0.000 2.058 149 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 149 E C 2.560 179.164 176.600 0.007 0.000 0.997 149 E CA 1.553 57.955 56.400 0.005 0.000 0.801 149 E CB -0.634 29.070 29.700 0.006 0.000 0.746 149 E HN 0.655 nan 8.360 nan 0.000 0.450 150 S N 0.468 116.176 115.700 0.014 0.000 2.382 150 S HA -0.123 4.347 4.470 -0.000 0.000 0.228 150 S C 2.019 176.628 174.600 0.015 0.000 1.027 150 S CA 0.867 59.079 58.200 0.020 0.000 0.991 150 S CB -0.472 62.747 63.200 0.032 0.000 0.823 150 S HN 0.185 nan 8.310 nan 0.000 0.469 151 L N 0.856 122.084 121.223 0.008 0.000 2.056 151 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 151 L C 2.871 179.734 176.870 -0.012 0.000 1.078 151 L CA 1.432 56.268 54.840 -0.005 0.000 0.749 151 L CB -0.504 41.548 42.059 -0.011 0.000 0.901 151 L HN 0.348 nan 8.230 nan 0.000 0.433 152 K N 0.079 120.473 120.400 -0.009 0.000 2.103 152 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 152 K C 2.164 178.757 176.600 -0.012 0.000 1.048 152 K CA 1.396 57.676 56.287 -0.013 0.000 0.930 152 K CB -0.172 32.323 32.500 -0.009 0.000 0.716 152 K HN 0.285 nan 8.250 nan 0.000 0.444 153 A N 0.831 123.647 122.820 -0.005 0.000 1.898 153 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 153 A C 2.298 179.878 177.584 -0.006 0.000 1.181 153 A CA 1.300 53.336 52.037 -0.003 0.000 0.620 153 A CB -0.484 18.519 19.000 0.004 0.000 0.819 153 A HN 0.077 nan 8.150 nan 0.000 0.442 154 V N -0.267 119.643 119.914 -0.007 0.000 2.515 154 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 154 V C 2.583 178.657 176.094 -0.034 0.000 1.058 154 V CA 2.112 64.404 62.300 -0.013 0.000 1.064 154 V CB -0.792 31.023 31.823 -0.013 0.000 0.675 154 V HN 0.685 nan 8.190 nan 0.000 0.461 155 Q N -0.377 119.401 119.800 -0.037 0.000 2.167 155 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 155 Q C 2.241 178.216 176.000 -0.042 0.000 0.970 155 Q CA 1.467 57.241 55.803 -0.049 0.000 0.855 155 Q CB -0.190 28.522 28.738 -0.043 0.000 0.911 155 Q HN 0.678 nan 8.270 nan 0.000 0.438 156 A N 0.250 123.053 122.820 -0.029 0.000 2.016 156 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 156 A C 1.790 179.361 177.584 -0.021 0.000 1.162 156 A CA 0.905 52.929 52.037 -0.022 0.000 0.662 156 A CB -0.080 18.912 19.000 -0.014 0.000 0.812 156 A HN 0.172 nan 8.150 nan 0.000 0.450 157 K N -0.434 119.953 120.400 -0.022 0.000 2.031 157 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 157 K C 1.858 178.439 176.600 -0.032 0.000 1.049 157 K CA 1.357 57.634 56.287 -0.016 0.000 0.939 157 K CB -0.237 32.258 32.500 -0.008 0.000 0.717 157 K HN 0.264 nan 8.250 nan 0.000 0.438 158 V N 1.776 121.655 119.914 -0.060 0.000 2.343 158 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 158 V C 2.269 178.317 176.094 -0.076 0.000 1.051 158 V CA 1.667 63.907 62.300 -0.100 0.000 1.036 158 V CB -0.358 31.378 31.823 -0.144 0.000 0.654 158 V HN 0.311 nan 8.190 nan 0.000 0.451 159 K N -0.021 120.346 120.400 -0.056 0.000 2.025 159 K HA -0.143 4.176 4.320 -0.000 0.000 0.207 159 K C 2.274 178.858 176.600 -0.027 0.000 1.049 159 K CA 1.425 57.687 56.287 -0.041 0.000 0.933 159 K CB -0.330 32.150 32.500 -0.033 0.000 0.714 159 K HN 0.438 nan 8.250 nan 0.000 0.438 160 A N 1.199 124.007 122.820 -0.020 0.000 1.940 160 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 160 A C 2.033 179.615 177.584 -0.004 0.000 1.176 160 A CA 1.372 53.404 52.037 -0.009 0.000 0.631 160 A CB -0.482 18.515 19.000 -0.004 0.000 0.814 160 A HN 0.382 nan 8.150 nan 0.000 0.446 161 L N -0.715 120.503 121.223 -0.008 0.000 2.072 161 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 161 L C 2.343 179.216 176.870 0.006 0.000 1.079 161 L CA 1.522 56.366 54.840 0.007 0.000 0.752 161 L CB -0.298 41.769 42.059 0.014 0.000 0.906 161 L HN 0.110 nan 8.230 nan 0.000 0.436 162 V N -0.005 119.899 119.914 -0.016 0.000 2.343 162 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 162 V C 2.545 178.637 176.094 -0.003 0.000 1.051 162 V CA 2.063 64.354 62.300 -0.014 0.000 1.036 162 V CB -0.557 31.245 31.823 -0.036 0.000 0.654 162 V HN 0.581 nan 8.190 nan 0.000 0.451 163 E N 0.178 120.374 120.200 -0.006 0.000 2.409 163 E HA -0.159 4.191 4.350 -0.000 0.000 0.198 163 E C 2.132 178.735 176.600 0.003 0.000 1.024 163 E CA 1.186 57.584 56.400 -0.003 0.000 0.861 163 E CB 0.046 29.742 29.700 -0.005 0.000 0.788 163 E HN 0.770 nan 8.360 nan 0.000 0.521 164 S N -1.653 114.052 115.700 0.008 0.000 2.486 164 S HA 0.159 4.629 4.470 -0.000 0.000 0.220 164 S C 1.676 176.286 174.600 0.015 0.000 1.011 164 S CA 0.583 58.790 58.200 0.012 0.000 0.921 164 S CB 0.521 63.731 63.200 0.017 0.000 0.785 164 S HN 0.378 nan 8.310 nan 0.000 0.517 165 G N 1.050 109.860 108.800 0.017 0.000 2.205 165 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 165 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 165 G C -0.062 174.854 174.900 0.028 0.000 0.980 165 G CA 0.271 45.383 45.100 0.020 0.000 0.632 165 G HN 0.632 nan 8.290 nan 0.000 0.533 166 Q N 0.356 120.175 119.800 0.033 0.000 2.509 166 Q HA 0.608 4.948 4.340 -0.000 0.000 0.230 166 Q C 1.453 177.493 176.000 0.067 0.000 1.089 166 Q CA -0.554 55.273 55.803 0.041 0.000 0.901 166 Q CB 0.824 29.581 28.738 0.033 0.000 1.208 166 Q HN 0.417 nan 8.270 nan 0.000 0.529 167 L N 1.135 122.408 121.223 0.083 0.000 2.376 167 L HA -0.037 4.303 4.340 -0.000 0.000 0.219 167 L C 1.374 178.356 176.870 0.186 0.000 1.133 167 L CA 0.791 55.725 54.840 0.156 0.000 0.816 167 L CB -0.722 41.426 42.059 0.148 0.000 0.933 167 L HN 0.980 nan 8.230 nan 0.000 0.449 168 G N 2.298 111.147 108.800 0.082 0.000 2.634 168 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.318 168 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.318 168 G C 0.721 175.584 174.900 -0.062 0.000 1.207 168 G CA 0.664 45.774 45.100 0.018 0.000 0.987 168 G HN 0.439 nan 8.290 nan 0.000 0.547 169 I N -1.514 118.938 120.570 -0.198 0.000 3.334 169 I HA 0.375 4.545 4.170 -0.000 0.000 0.282 169 I C 1.926 177.690 176.117 -0.590 0.000 1.313 169 I CA 1.558 62.627 61.300 -0.385 0.000 1.396 169 I CB -0.356 37.404 38.000 -0.400 0.000 1.054 169 I HN 0.208 nan 8.210 nan 0.000 0.495 170 F N 0.843 120.781 119.950 -0.020 0.000 2.727 170 F HA 0.243 4.770 4.527 -0.000 0.000 0.302 170 F C 1.221 176.957 175.800 -0.108 0.000 1.097 170 F CA -0.252 57.716 58.000 -0.054 0.000 1.330 170 F CB -0.766 38.242 39.000 0.013 0.000 1.084 170 F HN -0.147 nan 8.300 nan 0.000 0.578 171 T N 2.995 117.566 114.554 0.028 0.000 2.822 171 T HA -0.088 4.262 4.350 -0.000 0.000 0.288 171 T C 0.524 175.191 174.700 -0.054 0.000 0.991 171 T CA 0.347 62.445 62.100 -0.003 0.000 1.176 171 T CB -0.237 68.626 68.868 -0.008 0.000 0.951 171 T HN 0.326 nan 8.240 nan 0.000 0.526 172 N N -0.814 117.856 118.700 -0.050 0.000 2.782 172 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 172 N C 0.270 175.694 175.510 -0.143 0.000 1.101 172 N CA 0.866 53.881 53.050 -0.057 0.000 0.764 172 N CB -1.787 36.689 38.487 -0.017 0.000 1.122 172 N HN 0.961 nan 8.380 nan 0.000 0.561 173 A N -0.251 122.406 122.820 -0.270 0.000 2.555 173 A HA 0.150 4.470 4.320 -0.000 0.000 0.233 173 A C 1.149 178.469 177.584 -0.440 0.000 1.060 173 A CA 0.197 51.898 52.037 -0.559 0.000 0.759 173 A CB 0.092 18.415 19.000 -1.128 0.000 0.995 173 A HN 0.220 nan 8.150 nan 0.000 0.506 174 Y N 1.257 121.320 120.300 -0.395 0.000 2.403 174 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 174 Y C 1.665 177.462 175.900 -0.171 0.000 1.143 174 Y CA 1.645 59.661 58.100 -0.141 0.000 1.257 174 Y CB -0.864 37.621 38.460 0.042 0.000 0.984 174 Y HN 0.786 nan 8.280 nan 0.000 0.550 175 F N -1.851 118.032 119.950 -0.113 0.000 2.765 175 F HA 0.267 4.794 4.527 -0.000 0.000 0.302 175 F C 0.310 176.019 175.800 -0.151 0.000 1.111 175 F CA -0.932 56.820 58.000 -0.413 0.000 1.359 175 F CB -1.243 37.209 39.000 -0.914 0.000 1.097 175 F HN -0.287 nan 8.300 nan 0.000 0.577 176 L N 2.367 123.513 121.223 -0.127 0.000 2.534 176 L HA 0.293 4.632 4.340 -0.000 0.000 0.271 176 L C 1.347 178.239 176.870 0.036 0.000 1.178 176 L CA 0.647 55.478 54.840 -0.014 0.000 0.907 176 L CB -0.088 41.926 42.059 -0.074 0.000 1.164 176 L HN 0.626 nan 8.230 nan 0.000 0.482 177 G N 2.538 111.370 108.800 0.054 0.000 2.221 177 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.265 177 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.265 177 G C 0.566 175.498 174.900 0.052 0.000 1.041 177 G CA 0.281 45.406 45.100 0.041 0.000 0.807 177 G HN 1.415 nan 8.290 nan 0.000 0.502 178 G N -1.189 107.656 108.800 0.075 0.000 2.731 178 G HA2 0.323 4.283 3.960 -0.000 0.000 0.686 178 G HA3 0.323 4.283 3.960 -0.000 0.000 0.686 178 G C -0.671 174.320 174.900 0.152 0.000 1.395 178 G CA 0.442 45.600 45.100 0.097 0.000 0.870 178 G HN 2.240 nan 8.290 nan 0.000 0.591 179 H N 3.288 122.425 119.070 0.112 0.000 3.087 179 H HA 0.417 4.973 4.556 -0.000 0.000 0.348 179 H C -1.892 173.584 175.328 0.246 0.000 1.092 179 H CA -0.977 55.185 56.048 0.191 0.000 1.285 179 H CB 2.256 32.192 29.762 0.291 0.000 1.875 179 H HN 0.269 nan 8.280 nan 0.000 0.512 180 P HA -0.052 nan 4.420 nan 0.000 0.221 180 P C 0.876 178.429 177.300 0.422 0.000 1.145 180 P CA 1.342 64.605 63.100 0.271 0.000 0.795 180 P CB 0.111 31.875 31.700 0.107 0.000 0.775 181 A N -2.276 120.958 122.820 0.691 0.000 2.238 181 A HA 0.044 4.364 4.320 -0.000 0.000 0.210 181 A C 0.259 178.003 177.584 0.267 0.000 1.179 181 A CA 0.027 52.297 52.037 0.387 0.000 0.827 181 A CB -0.750 18.388 19.000 0.229 0.000 0.856 181 A HN 0.080 nan 8.150 nan 0.000 0.488 182 Y N 0.146 120.618 120.300 0.286 0.000 2.518 182 Y HA 0.358 4.908 4.550 -0.000 0.000 0.344 182 Y C 1.010 177.020 175.900 0.183 0.000 0.982 182 Y CA -0.406 57.844 58.100 0.250 0.000 1.234 182 Y CB 1.337 39.900 38.460 0.172 0.000 1.114 182 Y HN 0.083 nan 8.280 nan 0.000 0.515 183 V N 1.544 121.592 119.914 0.224 0.000 3.319 183 V HA 0.339 4.459 4.120 -0.000 0.000 0.317 183 V C 0.165 176.168 176.094 -0.153 0.000 1.411 183 V CA -0.235 62.073 62.300 0.012 0.000 1.112 183 V CB -0.743 31.050 31.823 -0.050 0.000 1.031 183 V HN 0.480 nan 8.190 nan 0.000 0.448 184 L N 1.439 122.557 121.223 -0.174 0.000 2.436 184 L HA 0.440 4.780 4.340 -0.000 0.000 0.265 184 L C -1.943 174.719 176.870 -0.347 0.000 1.168 184 L CA -1.625 52.934 54.840 -0.468 0.000 0.815 184 L CB 0.120 41.992 42.059 -0.313 0.000 1.109 184 L HN 0.097 nan 8.230 nan 0.000 0.462 185 P HA 0.008 nan 4.420 nan 0.000 0.269 185 P C 0.033 177.226 177.300 -0.179 0.000 1.209 185 P CA -0.072 62.883 63.100 -0.242 0.000 0.776 185 P CB 0.784 32.348 31.700 -0.226 0.000 0.876 186 A N 2.497 125.247 122.820 -0.116 0.000 2.076 186 A HA -0.210 4.109 4.320 -0.000 0.000 0.220 186 A C 1.783 179.310 177.584 -0.096 0.000 1.160 186 A CA 1.657 53.634 52.037 -0.101 0.000 0.653 186 A CB -0.841 18.113 19.000 -0.077 0.000 0.801 186 A HN 0.536 nan 8.150 nan 0.000 0.455 187 E N -0.744 119.405 120.200 -0.086 0.000 2.112 187 E HA -0.027 4.323 4.350 -0.000 0.000 0.190 187 E C 1.928 178.487 176.600 -0.068 0.000 0.979 187 E CA 1.006 57.367 56.400 -0.065 0.000 0.814 187 E CB -0.205 29.471 29.700 -0.039 0.000 0.762 187 E HN 0.350 nan 8.360 nan 0.000 0.460 188 V N 1.511 121.369 119.914 -0.093 0.000 2.488 188 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 188 V C 1.377 177.426 176.094 -0.075 0.000 1.046 188 V CA 1.592 63.849 62.300 -0.070 0.000 1.053 188 V CB -0.364 31.385 31.823 -0.124 0.000 0.679 188 V HN 0.236 nan 8.190 nan 0.000 0.458 189 D N 0.166 120.503 120.400 -0.105 0.000 2.218 189 D HA -0.152 4.488 4.640 -0.000 0.000 0.204 189 D C 1.946 178.180 176.300 -0.109 0.000 0.976 189 D CA 1.278 55.213 54.000 -0.107 0.000 0.853 189 D CB 0.157 40.871 40.800 -0.143 0.000 0.939 189 D HN 0.444 nan 8.370 nan 0.000 0.481 190 L N -0.105 121.057 121.223 -0.102 0.000 2.249 190 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 190 L C 2.025 178.826 176.870 -0.114 0.000 1.090 190 L CA 0.703 55.482 54.840 -0.101 0.000 0.802 190 L CB -0.002 42.005 42.059 -0.087 0.000 0.947 190 L HN -0.147 nan 8.230 nan 0.000 0.453 191 I N 0.216 120.707 120.570 -0.131 0.000 2.202 191 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 191 I C 2.623 178.539 176.117 -0.335 0.000 1.091 191 I CA 1.215 62.361 61.300 -0.256 0.000 1.368 191 I CB -0.506 37.394 38.000 -0.166 0.000 1.058 191 I HN 0.377 nan 8.210 nan 0.000 0.410 192 A N 0.040 122.796 122.820 -0.106 0.000 1.978 192 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 192 A C 2.322 179.961 177.584 0.093 0.000 1.170 192 A CA 2.394 54.471 52.037 0.066 0.000 0.636 192 A CB -0.955 18.103 19.000 0.097 0.000 0.810 192 A HN 0.405 nan 8.150 nan 0.000 0.448 193 T N -0.186 114.360 114.554 -0.014 0.000 2.896 193 T HA 0.139 4.489 4.350 -0.000 0.000 0.263 193 T C 2.185 176.914 174.700 0.049 0.000 1.050 193 T CA 1.122 63.209 62.100 -0.021 0.000 1.140 193 T CB -0.265 68.529 68.868 -0.123 0.000 0.877 193 T HN 0.566 nan 8.240 nan 0.000 0.457 194 A N 0.946 123.763 122.820 -0.004 0.000 1.969 194 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 194 A C 1.877 179.577 177.584 0.193 0.000 1.169 194 A CA 1.272 53.340 52.037 0.052 0.000 0.635 194 A CB -0.736 18.262 19.000 -0.003 0.000 0.810 194 A HN 0.674 nan 8.150 nan 0.000 0.445 195 H N -3.505 115.631 119.070 0.109 0.000 2.436 195 H HA -0.084 4.472 4.556 -0.000 0.000 0.294 195 H C 1.979 177.223 175.328 -0.139 0.000 1.048 195 H CA 1.257 57.328 56.048 0.039 0.000 1.353 195 H CB -0.086 29.744 29.762 0.114 0.000 1.414 195 H HN 0.646 nan 8.280 nan 0.000 0.536 196 Y N 1.826 122.129 120.300 0.004 0.000 2.181 196 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 196 Y C 1.992 177.951 175.900 0.098 0.000 1.146 196 Y CA 1.216 59.337 58.100 0.036 0.000 1.164 196 Y CB -0.442 38.125 38.460 0.178 0.000 0.982 196 Y HN 0.048 nan 8.280 nan 0.000 0.515 197 L N -0.103 121.344 121.223 0.373 0.000 2.093 197 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 197 L C 2.565 179.476 176.870 0.069 0.000 1.085 197 L CA 1.707 56.685 54.840 0.231 0.000 0.755 197 L CB -0.597 41.569 42.059 0.179 0.000 0.904 197 L HN 0.218 nan 8.230 nan 0.000 0.435 198 E N 0.416 120.648 120.200 0.052 0.000 2.077 198 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 198 E C 2.262 178.711 176.600 -0.252 0.000 0.989 198 E CA 1.084 57.461 56.400 -0.038 0.000 0.800 198 E CB -0.018 29.736 29.700 0.091 0.000 0.746 198 E HN 0.460 nan 8.360 nan 0.000 0.452 199 A N 0.827 123.474 122.820 -0.288 0.000 2.019 199 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 199 A C 2.098 179.589 177.584 -0.155 0.000 1.164 199 A CA 0.809 52.612 52.037 -0.389 0.000 0.644 199 A CB -0.490 18.242 19.000 -0.446 0.000 0.805 199 A HN 0.270 nan 8.150 nan 0.000 0.449 200 L N -1.173 119.989 121.223 -0.101 0.000 2.141 200 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 200 L C 2.713 179.490 176.870 -0.156 0.000 1.094 200 L CA 0.877 55.600 54.840 -0.196 0.000 0.763 200 L CB -0.300 41.622 42.059 -0.228 0.000 0.908 200 L HN 0.316 nan 8.230 nan 0.000 0.437 201 R N -0.833 119.571 120.500 -0.160 0.000 2.112 201 R HA 0.016 4.356 4.340 -0.000 0.000 0.216 201 R C 2.164 178.350 176.300 -0.189 0.000 1.080 201 R CA 0.780 56.792 56.100 -0.147 0.000 0.996 201 R CB -0.635 29.590 30.300 -0.125 0.000 0.902 201 R HN 0.211 nan 8.270 nan 0.000 0.449 202 V N 2.463 122.188 119.914 -0.315 0.000 2.307 202 V HA -0.281 3.839 4.120 -0.000 0.000 0.245 202 V C 2.533 178.513 176.094 -0.190 0.000 1.045 202 V CA 2.135 64.220 62.300 -0.358 0.000 1.024 202 V CB -0.729 30.634 31.823 -0.766 0.000 0.651 202 V HN 0.321 nan 8.190 nan 0.000 0.449 203 Q N 0.654 120.359 119.800 -0.159 0.000 2.248 203 Q HA -0.182 4.158 4.340 -0.000 0.000 0.208 203 Q C 1.821 177.877 176.000 0.095 0.000 0.984 203 Q CA 2.417 58.193 55.803 -0.045 0.000 0.875 203 Q CB -1.284 27.371 28.738 -0.139 0.000 0.910 203 Q HN 0.394 nan 8.270 nan 0.000 0.433 204 V N 0.757 120.674 119.914 0.006 0.000 2.427 204 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 204 V C 2.143 178.227 176.094 -0.016 0.000 1.051 204 V CA 2.183 64.483 62.300 -0.000 0.000 1.048 204 V CB -0.466 31.334 31.823 -0.038 0.000 0.666 204 V HN 0.426 nan 8.190 nan 0.000 0.456 205 K N 0.208 120.585 120.400 -0.039 0.000 2.155 205 K HA -0.017 4.302 4.320 -0.000 0.000 0.203 205 K C 2.263 178.837 176.600 -0.044 0.000 1.052 205 K CA 1.268 57.521 56.287 -0.057 0.000 0.948 205 K CB -0.316 32.134 32.500 -0.083 0.000 0.728 205 K HN 0.460 nan 8.250 nan 0.000 0.448 206 A N 1.475 124.309 122.820 0.023 0.000 1.930 206 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 206 A C 2.324 179.928 177.584 0.033 0.000 1.175 206 A CA 1.666 53.752 52.037 0.082 0.000 0.627 206 A CB -0.476 18.667 19.000 0.239 0.000 0.815 206 A HN 0.306 nan 8.150 nan 0.000 0.443 207 A N -0.220 122.598 122.820 -0.003 0.000 1.929 207 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 207 A C 2.232 179.749 177.584 -0.111 0.000 1.176 207 A CA 1.456 53.391 52.037 -0.171 0.000 0.628 207 A CB -0.434 18.448 19.000 -0.197 0.000 0.816 207 A HN 0.547 nan 8.150 nan 0.000 0.444 208 R N -0.209 120.241 120.500 -0.083 0.000 2.092 208 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 208 R C 2.174 178.410 176.300 -0.108 0.000 1.119 208 R CA 1.370 57.417 56.100 -0.088 0.000 0.970 208 R CB -0.373 29.881 30.300 -0.077 0.000 0.864 208 R HN 0.390 nan 8.270 nan 0.000 0.440 209 A N 1.331 124.069 122.820 -0.136 0.000 1.898 209 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 209 A C 2.210 179.783 177.584 -0.017 0.000 1.181 209 A CA 1.503 53.407 52.037 -0.222 0.000 0.620 209 A CB -0.540 18.188 19.000 -0.454 0.000 0.819 209 A HN 0.545 nan 8.150 nan 0.000 0.442 210 M N -0.262 119.331 119.600 -0.011 0.000 2.213 210 M HA -0.063 4.416 4.480 -0.000 0.000 0.263 210 M C 2.011 178.258 176.300 -0.088 0.000 1.062 210 M CA 1.642 56.954 55.300 0.019 0.000 1.105 210 M CB -0.161 32.417 32.600 -0.037 0.000 1.385 210 M HN 0.360 nan 8.290 nan 0.000 0.417 211 A N 0.175 122.929 122.820 -0.111 0.000 2.119 211 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 211 A C 1.911 179.392 177.584 -0.172 0.000 1.153 211 A CA 0.967 52.926 52.037 -0.130 0.000 0.692 211 A CB -0.870 18.072 19.000 -0.096 0.000 0.799 211 A HN 0.626 nan 8.150 nan 0.000 0.458 212 I N -1.790 118.651 120.570 -0.215 0.000 2.202 212 I HA -0.196 3.974 4.170 -0.000 0.000 0.242 212 I C 2.007 177.808 176.117 -0.526 0.000 1.091 212 I CA 1.288 62.376 61.300 -0.354 0.000 1.368 212 I CB -0.192 37.592 38.000 -0.361 0.000 1.058 212 I HN 0.332 nan 8.210 nan 0.000 0.410 213 F N 0.060 119.888 119.950 -0.203 0.000 2.270 213 F HA 0.110 4.637 4.527 -0.000 0.000 0.295 213 F C 2.434 177.740 175.800 -0.823 0.000 1.087 213 F CA 0.877 58.609 58.000 -0.446 0.000 1.365 213 F CB -1.265 37.420 39.000 -0.526 0.000 1.056 213 F HN -0.049 nan 8.300 nan 0.000 0.506 214 G N -1.156 107.273 108.800 -0.619 0.000 2.920 214 G HA2 0.277 4.236 3.960 -0.000 0.000 0.208 214 G HA3 0.277 4.236 3.960 -0.000 0.000 0.208 214 G C 1.383 176.161 174.900 -0.204 0.000 1.159 214 G CA 0.810 45.499 45.100 -0.685 0.000 0.784 214 G HN 0.506 nan 8.290 nan 0.000 0.535 215 A N -0.716 122.032 122.820 -0.119 0.000 1.475 215 A HA -0.183 4.136 4.320 -0.000 0.000 0.222 215 A C 0.857 178.430 177.584 -0.019 0.000 0.487 215 A CA 1.899 53.929 52.037 -0.012 0.000 1.107 215 A CB -1.550 17.497 19.000 0.079 0.000 1.460 215 A HN 1.271 nan 8.150 nan 0.000 0.719 216 K N -0.629 119.765 120.400 -0.009 0.000 2.579 216 K HA 0.658 4.978 4.320 -0.000 0.000 0.284 216 K C -1.026 175.567 176.600 -0.011 0.000 0.990 216 K CA -0.143 56.138 56.287 -0.010 0.000 0.880 216 K CB 1.289 33.801 32.500 0.020 0.000 1.488 216 K HN 0.788 nan 8.250 nan 0.000 0.425 217 N N 1.198 119.875 118.700 -0.037 0.000 2.500 217 N HA 0.411 5.151 4.740 -0.000 0.000 0.291 217 N C -2.726 172.739 175.510 -0.076 0.000 1.092 217 N CA -1.067 51.945 53.050 -0.064 0.000 0.890 217 N CB 1.624 40.040 38.487 -0.118 0.000 1.466 217 N HN 0.507 nan 8.380 nan 0.000 0.507 218 P HA 0.329 nan 4.420 nan 0.000 0.274 218 P C -1.279 176.002 177.300 -0.032 0.000 1.246 218 P CA 0.088 63.110 63.100 -0.131 0.000 0.795 218 P CB 0.379 31.901 31.700 -0.296 0.000 1.006 219 H N -1.693 117.426 119.070 0.082 0.000 3.101 219 H HA -0.101 4.455 4.556 -0.000 0.000 0.350 219 H C 0.093 175.503 175.328 0.137 0.000 1.157 219 H CA 0.301 56.418 56.048 0.115 0.000 1.141 219 H CB -2.239 27.574 29.762 0.086 0.000 1.595 219 H HN 0.628 nan 8.280 nan 0.000 0.406 220 T N -1.067 113.672 114.554 0.308 0.000 2.856 220 T HA 0.228 4.578 4.350 -0.000 0.000 0.329 220 T C 0.714 175.618 174.700 0.340 0.000 1.094 220 T CA -0.049 62.229 62.100 0.296 0.000 1.112 220 T CB 1.764 70.842 68.868 0.349 0.000 1.009 220 T HN 0.610 nan 8.240 nan 0.000 0.550 221 Q N 1.237 121.255 119.800 0.364 0.000 3.966 221 Q HA 0.374 4.713 4.340 -0.000 0.000 0.198 221 Q C -0.987 175.229 176.000 0.360 0.000 0.872 221 Q CA -0.532 55.459 55.803 0.313 0.000 0.767 221 Q CB 0.208 29.072 28.738 0.210 0.000 1.516 221 Q HN 0.847 nan 8.270 nan 0.000 0.434 222 F N -1.948 118.063 119.950 0.102 0.000 3.021 222 F HA 0.326 4.853 4.527 -0.000 0.000 0.376 222 F C -0.130 175.711 175.800 0.067 0.000 1.075 222 F CA 0.057 58.098 58.000 0.069 0.000 1.073 222 F CB 0.077 39.106 39.000 0.049 0.000 1.243 222 F HN 0.004 nan 8.300 nan 0.000 0.540 223 T N 1.423 115.596 114.554 -0.635 0.000 2.902 223 T HA 0.789 5.138 4.350 -0.000 0.000 0.283 223 T C -0.351 174.230 174.700 -0.197 0.000 1.009 223 T CA -0.051 61.692 62.100 -0.595 0.000 1.051 223 T CB 2.072 70.603 68.868 -0.561 0.000 0.999 223 T HN 0.795 nan 8.240 nan 0.000 0.474 224 V N -1.030 118.811 119.914 -0.122 0.000 3.188 224 V HA 0.712 4.832 4.120 -0.000 0.000 0.305 224 V C -0.320 175.748 176.094 -0.042 0.000 1.232 224 V CA -1.386 60.923 62.300 0.015 0.000 1.043 224 V CB 1.456 33.389 31.823 0.184 0.000 1.068 224 V HN 0.811 nan 8.190 nan 0.000 0.439 225 V N 2.457 122.332 119.914 -0.065 0.000 2.479 225 V HA 0.562 4.681 4.120 -0.000 0.000 0.281 225 V C 1.531 177.435 176.094 -0.316 0.000 1.031 225 V CA 1.727 63.823 62.300 -0.341 0.000 1.038 225 V CB -0.145 31.303 31.823 -0.625 0.000 0.981 225 V HN 1.882 nan 8.190 nan 0.000 0.478 226 G N 3.092 111.670 108.800 -0.371 0.000 2.253 226 G HA2 0.186 4.146 3.960 -0.000 0.000 0.209 226 G HA3 0.186 4.146 3.960 -0.000 0.000 0.209 226 G C 0.552 175.272 174.900 -0.301 0.000 0.997 226 G CA -0.070 44.790 45.100 -0.400 0.000 0.640 226 G HN 1.832 nan 8.290 nan 0.000 0.496 227 G N -1.639 107.092 108.800 -0.114 0.000 2.480 227 G HA2 0.432 4.392 3.960 -0.000 0.000 0.109 227 G HA3 0.432 4.392 3.960 -0.000 0.000 0.109 227 G C -0.653 174.217 174.900 -0.050 0.000 1.172 227 G CA 0.565 45.639 45.100 -0.044 0.000 1.091 227 G HN 1.361 nan 8.290 nan 0.000 0.464 228 C N -0.483 118.801 119.300 -0.026 0.000 2.971 228 C HA 0.792 5.251 4.460 -0.000 0.000 0.310 228 C C 1.538 176.468 174.990 -0.100 0.000 1.285 228 C CA 0.436 59.384 59.018 -0.118 0.000 1.593 228 C CB 1.369 29.055 27.740 -0.091 0.000 2.076 228 C HN 1.259 nan 8.230 nan 0.000 0.472 229 T N -2.693 111.802 114.554 -0.098 0.000 2.971 229 T HA 0.066 4.415 4.350 -0.000 0.000 0.252 229 T C 0.410 175.013 174.700 -0.161 0.000 1.022 229 T CA 0.300 62.328 62.100 -0.120 0.000 0.980 229 T CB -0.325 68.557 68.868 0.023 0.000 1.044 229 T HN 0.526 nan 8.240 nan 0.000 0.501 230 N N 1.324 119.997 118.700 -0.045 0.000 2.671 230 N HA 0.145 4.885 4.740 -0.000 0.000 0.274 230 N C -0.222 175.257 175.510 -0.052 0.000 1.188 230 N CA -0.379 52.689 53.050 0.030 0.000 1.065 230 N CB -0.396 38.201 38.487 0.183 0.000 1.415 230 N HN 0.414 nan 8.380 nan 0.000 0.511 231 Y N 0.142 120.498 120.300 0.093 0.000 2.395 231 Y HA -0.046 4.504 4.550 -0.000 0.000 0.293 231 Y C 1.976 177.913 175.900 0.062 0.000 1.123 231 Y CA 0.438 58.581 58.100 0.071 0.000 1.227 231 Y CB 0.005 38.494 38.460 0.050 0.000 1.012 231 Y HN 0.415 nan 8.280 nan 0.000 0.552 232 D N -0.107 120.404 120.400 0.186 0.000 2.144 232 D HA -0.184 4.455 4.640 -0.000 0.000 0.199 232 D C 2.149 178.497 176.300 0.080 0.000 0.984 232 D CA 1.675 55.743 54.000 0.113 0.000 0.834 232 D CB -0.113 40.735 40.800 0.080 0.000 0.955 232 D HN 0.237 nan 8.370 nan 0.000 0.465 233 S N -0.875 114.873 115.700 0.080 0.000 2.561 233 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 233 S C 1.604 176.276 174.600 0.120 0.000 0.977 233 S CA -0.021 58.214 58.200 0.059 0.000 0.926 233 S CB -0.193 63.031 63.200 0.040 0.000 0.769 233 S HN 0.183 nan 8.310 nan 0.000 0.533 234 L N 1.628 122.926 121.223 0.125 0.000 2.610 234 L HA 0.306 4.646 4.340 -0.000 0.000 0.232 234 L C 0.918 177.841 176.870 0.088 0.000 1.149 234 L CA 0.476 55.385 54.840 0.115 0.000 0.872 234 L CB -0.865 41.271 42.059 0.129 0.000 0.992 234 L HN 0.296 nan 8.230 nan 0.000 0.447 235 R N -0.091 120.453 120.500 0.073 0.000 2.441 235 R HA 0.158 4.498 4.340 -0.000 0.000 0.284 235 R C -1.346 174.982 176.300 0.047 0.000 1.070 235 R CA -1.582 54.550 56.100 0.054 0.000 1.047 235 R CB -0.114 30.212 30.300 0.042 0.000 1.016 235 R HN -0.131 nan 8.270 nan 0.000 0.477 236 P HA -0.207 nan 4.420 nan 0.000 0.216 236 P C 0.339 177.662 177.300 0.038 0.000 1.153 236 P CA 1.332 64.456 63.100 0.041 0.000 0.858 236 P CB 0.309 32.029 31.700 0.034 0.000 0.789 237 E N -0.386 119.832 120.200 0.030 0.000 2.038 237 E HA -0.170 4.179 4.350 -0.000 0.000 0.195 237 E C 2.019 178.632 176.600 0.020 0.000 1.000 237 E CA 1.177 57.591 56.400 0.023 0.000 0.803 237 E CB -0.979 28.730 29.700 0.015 0.000 0.750 237 E HN 0.187 nan 8.360 nan 0.000 0.448 238 R N 0.203 120.710 120.500 0.011 0.000 2.193 238 R HA 0.017 4.357 4.340 -0.000 0.000 0.229 238 R C 2.322 178.618 176.300 -0.006 0.000 1.110 238 R CA 0.751 56.840 56.100 -0.018 0.000 0.988 238 R CB -0.453 29.820 30.300 -0.044 0.000 0.871 238 R HN 0.322 nan 8.270 nan 0.000 0.458 239 I N 0.269 120.864 120.570 0.042 0.000 2.584 239 I HA -0.096 4.073 4.170 -0.000 0.000 0.255 239 I C 2.358 178.560 176.117 0.142 0.000 1.145 239 I CA 0.613 61.968 61.300 0.091 0.000 1.462 239 I CB -0.216 37.836 38.000 0.087 0.000 1.102 239 I HN 0.043 nan 8.210 nan 0.000 0.433 240 A N 0.419 123.298 122.820 0.098 0.000 1.877 240 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 240 A C 2.227 179.869 177.584 0.097 0.000 1.186 240 A CA 1.630 53.723 52.037 0.092 0.000 0.620 240 A CB -0.567 18.467 19.000 0.057 0.000 0.822 240 A HN 0.374 nan 8.150 nan 0.000 0.443 241 E N -1.355 118.888 120.200 0.071 0.000 2.038 241 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 241 E C 1.793 178.427 176.600 0.056 0.000 1.000 241 E CA 1.564 57.988 56.400 0.041 0.000 0.803 241 E CB -0.270 29.435 29.700 0.007 0.000 0.750 241 E HN 0.643 nan 8.360 nan 0.000 0.448 242 F N 1.521 121.431 119.950 -0.068 0.000 2.102 242 F HA -0.180 4.346 4.527 -0.000 0.000 0.298 242 F C 2.466 178.308 175.800 0.070 0.000 1.105 242 F CA 1.774 59.736 58.000 -0.063 0.000 1.239 242 F CB -0.205 38.688 39.000 -0.179 0.000 0.991 242 F HN -0.168 nan 8.300 nan 0.000 0.474 243 R N 0.687 121.425 120.500 0.398 0.000 2.083 243 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 243 R C 2.475 178.887 176.300 0.188 0.000 1.137 243 R CA 1.784 58.097 56.100 0.355 0.000 0.951 243 R CB -0.380 30.091 30.300 0.286 0.000 0.851 243 R HN 0.257 nan 8.270 nan 0.000 0.434 244 K N 0.400 120.852 120.400 0.088 0.000 2.009 244 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 244 K C 2.213 178.793 176.600 -0.033 0.000 1.049 244 K CA 1.638 57.938 56.287 0.022 0.000 0.929 244 K CB -0.193 32.311 32.500 0.007 0.000 0.714 244 K HN 0.215 nan 8.250 nan 0.000 0.440 245 L N -0.124 121.053 121.223 -0.077 0.000 2.017 245 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 245 L C 2.541 179.330 176.870 -0.134 0.000 1.073 245 L CA 1.336 56.101 54.840 -0.125 0.000 0.745 245 L CB -0.702 41.246 42.059 -0.184 0.000 0.894 245 L HN 0.240 nan 8.230 nan 0.000 0.432 246 Y N 1.309 121.425 120.300 -0.307 0.000 2.081 246 Y HA -0.322 4.228 4.550 -0.000 0.000 0.280 246 Y C 2.484 178.331 175.900 -0.089 0.000 1.163 246 Y CA 1.632 59.582 58.100 -0.251 0.000 1.135 246 Y CB -0.310 37.989 38.460 -0.269 0.000 0.970 246 Y HN 0.015 nan 8.280 nan 0.000 0.498 247 K N 0.053 120.220 120.400 -0.389 0.000 2.026 247 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 247 K C 2.061 178.517 176.600 -0.239 0.000 1.048 247 K CA 1.887 57.935 56.287 -0.398 0.000 0.929 247 K CB -0.304 32.092 32.500 -0.173 0.000 0.713 247 K HN 0.407 nan 8.250 nan 0.000 0.439 248 E N 0.549 120.665 120.200 -0.140 0.000 2.070 248 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 248 E C 2.019 178.586 176.600 -0.056 0.000 1.004 248 E CA 1.610 57.963 56.400 -0.079 0.000 0.805 248 E CB -0.037 29.623 29.700 -0.067 0.000 0.744 248 E HN 0.038 nan 8.360 nan 0.000 0.451 249 V N 0.666 120.531 119.914 -0.082 0.000 2.358 249 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 249 V C 2.361 178.471 176.094 0.025 0.000 1.047 249 V CA 1.770 64.066 62.300 -0.007 0.000 1.035 249 V CB -0.507 31.312 31.823 -0.007 0.000 0.658 249 V HN 0.217 nan 8.190 nan 0.000 0.452 250 R N 0.101 120.512 120.500 -0.148 0.000 2.083 250 R HA -0.236 4.104 4.340 -0.000 0.000 0.237 250 R C 2.360 178.627 176.300 -0.054 0.000 1.137 250 R CA 2.190 58.196 56.100 -0.157 0.000 0.951 250 R CB -0.213 29.820 30.300 -0.445 0.000 0.851 250 R HN 0.601 nan 8.270 nan 0.000 0.434 251 E N -0.615 119.546 120.200 -0.065 0.000 2.085 251 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 251 E C 1.673 178.287 176.600 0.023 0.000 0.994 251 E CA 1.650 58.034 56.400 -0.028 0.000 0.801 251 E CB -0.221 29.461 29.700 -0.030 0.000 0.743 251 E HN 0.312 nan 8.360 nan 0.000 0.453 252 F N 0.720 120.640 119.950 -0.050 0.000 2.171 252 F HA -0.161 4.366 4.527 0.000 0.000 0.300 252 F C 1.841 177.666 175.800 0.041 0.000 1.090 252 F CA 1.253 59.239 58.000 -0.024 0.000 1.293 252 F CB 0.031 39.013 39.000 -0.029 0.000 1.013 252 F HN -0.046 nan 8.300 nan 0.000 0.486 253 I N 0.035 120.721 120.570 0.193 0.000 2.353 253 I HA -0.221 3.948 4.170 -0.000 0.000 0.248 253 I C 2.167 178.277 176.117 -0.013 0.000 1.119 253 I CA 1.352 62.768 61.300 0.193 0.000 1.417 253 I CB -0.434 37.727 38.000 0.268 0.000 1.078 253 I HN 0.172 nan 8.210 nan 0.000 0.421 254 E N 0.240 120.411 120.200 -0.049 0.000 2.076 254 E HA -0.184 4.166 4.350 -0.000 0.000 0.190 254 E C 2.064 178.586 176.600 -0.129 0.000 0.979 254 E CA 0.909 57.254 56.400 -0.092 0.000 0.807 254 E CB 0.022 29.681 29.700 -0.069 0.000 0.761 254 E HN 0.568 nan 8.360 nan 0.000 0.454 255 Q N -0.313 119.396 119.800 -0.152 0.000 2.376 255 Q HA 0.021 4.361 4.340 -0.000 0.000 0.206 255 Q C 1.704 177.549 176.000 -0.257 0.000 0.921 255 Q CA 0.492 56.192 55.803 -0.171 0.000 0.911 255 Q CB 1.009 29.669 28.738 -0.130 0.000 1.032 255 Q HN 0.078 nan 8.270 nan 0.000 0.510 256 V N -1.411 118.237 119.914 -0.445 0.000 3.134 256 V HA -0.082 4.038 4.120 -0.000 0.000 0.222 256 V C 1.449 177.377 176.094 -0.277 0.000 1.247 256 V CA 0.347 62.290 62.300 -0.594 0.000 1.281 256 V CB -0.808 30.184 31.823 -1.386 0.000 1.169 256 V HN 0.188 nan 8.190 nan 0.000 0.512 257 Y N 1.907 121.962 120.300 -0.409 0.000 2.081 257 Y HA -0.236 4.314 4.550 -0.000 0.000 0.280 257 Y C 2.344 178.071 175.900 -0.288 0.000 1.163 257 Y CA 1.740 59.765 58.100 -0.125 0.000 1.135 257 Y CB -0.512 37.955 38.460 0.012 0.000 0.970 257 Y HN 0.125 nan 8.280 nan 0.000 0.498 258 I N 0.390 120.732 120.570 -0.380 0.000 2.226 258 I HA -0.278 3.891 4.170 -0.000 0.000 0.245 258 I C 2.561 178.482 176.117 -0.327 0.000 1.100 258 I CA 2.110 63.106 61.300 -0.507 0.000 1.374 258 I CB -2.006 35.763 38.000 -0.386 0.000 1.057 258 I HN 0.428 nan 8.210 nan 0.000 0.413 259 T N -1.234 113.203 114.554 -0.195 0.000 2.746 259 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 259 T C 1.555 176.229 174.700 -0.043 0.000 1.039 259 T CA 1.539 63.576 62.100 -0.106 0.000 1.142 259 T CB -0.366 68.462 68.868 -0.068 0.000 0.866 259 T HN 0.153 nan 8.240 nan 0.000 0.444 260 D N 1.077 121.495 120.400 0.030 0.000 2.144 260 D HA 0.040 4.680 4.640 -0.000 0.000 0.200 260 D C 2.017 178.346 176.300 0.048 0.000 0.978 260 D CA 0.678 54.782 54.000 0.174 0.000 0.833 260 D CB -0.503 40.574 40.800 0.461 0.000 0.961 260 D HN 0.361 nan 8.370 nan 0.000 0.470 261 L N 0.493 121.570 121.223 -0.243 0.000 1.994 261 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 261 L C 1.991 178.722 176.870 -0.232 0.000 1.071 261 L CA 1.595 56.174 54.840 -0.435 0.000 0.745 261 L CB -0.609 40.950 42.059 -0.833 0.000 0.892 261 L HN 0.004 nan 8.230 nan 0.000 0.431 262 L N -0.423 120.671 121.223 -0.214 0.000 2.141 262 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 262 L C 2.716 179.523 176.870 -0.105 0.000 1.094 262 L CA 1.003 55.742 54.840 -0.167 0.000 0.763 262 L CB -1.090 40.867 42.059 -0.170 0.000 0.908 262 L HN 0.411 nan 8.230 nan 0.000 0.437 263 A N -0.037 122.760 122.820 -0.039 0.000 1.858 263 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 263 A C 2.360 180.041 177.584 0.161 0.000 1.190 263 A CA 1.834 53.895 52.037 0.040 0.000 0.617 263 A CB -0.852 18.219 19.000 0.118 0.000 0.827 263 A HN 0.154 nan 8.150 nan 0.000 0.443 264 V N -0.077 119.959 119.914 0.204 0.000 2.307 264 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 264 V C 3.065 179.301 176.094 0.235 0.000 1.045 264 V CA 1.892 64.385 62.300 0.321 0.000 1.024 264 V CB -1.258 30.687 31.823 0.202 0.000 0.651 264 V HN 0.615 nan 8.190 nan 0.000 0.449 265 A N 0.623 123.441 122.820 -0.003 0.000 1.940 265 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 265 A C 2.398 179.973 177.584 -0.015 0.000 1.176 265 A CA 1.922 53.916 52.037 -0.071 0.000 0.631 265 A CB -1.210 17.692 19.000 -0.163 0.000 0.814 265 A HN 0.557 nan 8.150 nan 0.000 0.446 266 G N -1.601 107.131 108.800 -0.114 0.000 2.462 266 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 266 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 266 G C 0.989 175.646 174.900 -0.405 0.000 1.121 266 G CA 0.947 45.873 45.100 -0.290 0.000 0.758 266 G HN 0.485 nan 8.290 nan 0.000 0.559 267 F N -1.261 118.680 119.950 -0.015 0.000 2.693 267 F HA 0.401 4.928 4.527 -0.000 0.000 0.303 267 F C 0.235 175.901 175.800 -0.224 0.000 1.097 267 F CA -0.339 57.575 58.000 -0.143 0.000 1.330 267 F CB 0.416 39.244 39.000 -0.287 0.000 1.067 267 F HN 0.063 nan 8.300 nan 0.000 0.565 268 Y N -0.888 119.540 120.300 0.213 0.000 2.685 268 Y HA 0.235 4.785 4.550 -0.000 0.000 0.257 268 Y C 1.286 177.354 175.900 0.279 0.000 1.053 268 Y CA -1.082 57.208 58.100 0.316 0.000 1.106 268 Y CB -0.203 38.418 38.460 0.269 0.000 1.193 268 Y HN -0.129 nan 8.280 nan 0.000 0.602 269 K N 0.355 120.906 120.400 0.251 0.000 2.360 269 K HA -0.205 4.115 4.320 -0.000 0.000 0.201 269 K C 1.386 178.090 176.600 0.173 0.000 1.046 269 K CA 1.705 58.085 56.287 0.155 0.000 0.940 269 K CB -0.076 32.457 32.500 0.056 0.000 0.748 269 K HN 0.649 nan 8.250 nan 0.000 0.465 270 N N -0.994 117.833 118.700 0.213 0.000 2.512 270 N HA -0.154 4.586 4.740 -0.000 0.000 0.183 270 N C 1.061 176.581 175.510 0.017 0.000 1.073 270 N CA 0.434 53.531 53.050 0.079 0.000 0.911 270 N CB -0.179 38.328 38.487 0.033 0.000 0.964 270 N HN 0.167 nan 8.380 nan 0.000 0.447 271 W N 0.054 121.460 121.300 0.176 0.000 3.180 271 W HA 0.404 5.064 4.660 -0.000 0.000 0.254 271 W C 1.749 178.337 176.519 0.114 0.000 1.318 271 W CA 0.088 57.541 57.345 0.181 0.000 1.608 271 W CB 0.102 29.721 29.460 0.265 0.000 1.124 271 W HN 0.204 nan 8.180 nan 0.000 0.694 272 A N -0.326 122.627 122.820 0.221 0.000 2.238 272 A HA 0.299 4.619 4.320 -0.000 0.000 0.208 272 A C 1.845 179.490 177.584 0.102 0.000 1.177 272 A CA 1.138 53.255 52.037 0.133 0.000 0.804 272 A CB -0.530 18.519 19.000 0.080 0.000 0.823 272 A HN 0.203 nan 8.150 nan 0.000 0.482 273 G N -0.735 108.110 108.800 0.075 0.000 3.695 273 G HA2 0.473 4.433 3.960 -0.000 0.000 0.277 273 G HA3 0.473 4.433 3.960 -0.000 0.000 0.277 273 G C -0.071 174.834 174.900 0.008 0.000 1.001 273 G CA -0.084 45.039 45.100 0.038 0.000 0.837 273 G HN 0.285 nan 8.290 nan 0.000 0.492 274 I N 0.153 120.742 120.570 0.032 0.000 2.509 274 I HA 0.548 4.718 4.170 -0.000 0.000 0.293 274 I C 0.954 177.177 176.117 0.177 0.000 1.020 274 I CA -0.504 60.795 61.300 -0.002 0.000 1.088 274 I CB 2.170 39.965 38.000 -0.342 0.000 1.267 274 I HN 0.142 nan 8.210 nan 0.000 0.430 275 G N 3.881 112.777 108.800 0.160 0.000 2.212 275 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.255 275 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.255 275 G C -0.018 175.011 174.900 0.216 0.000 1.062 275 G CA -0.116 45.115 45.100 0.218 0.000 0.815 275 G HN 0.675 nan 8.290 nan 0.000 0.497 276 K N 0.613 121.118 120.400 0.176 0.000 2.270 276 K HA 0.596 4.916 4.320 -0.000 0.000 0.276 276 K C 0.749 177.448 176.600 0.166 0.000 1.023 276 K CA 0.422 56.827 56.287 0.196 0.000 0.955 276 K CB 0.443 33.045 32.500 0.169 0.000 0.975 276 K HN 0.421 nan 8.250 nan 0.000 0.471 277 T N -0.626 114.056 114.554 0.214 0.000 2.906 277 T HA 0.526 4.876 4.350 -0.000 0.000 0.295 277 T C -0.742 174.007 174.700 0.083 0.000 1.075 277 T CA -0.983 61.181 62.100 0.107 0.000 1.005 277 T CB 1.720 70.669 68.868 0.135 0.000 1.136 277 T HN 0.388 nan 8.240 nan 0.000 0.498 278 S N 1.280 116.839 115.700 -0.235 0.000 2.566 278 S HA 0.783 5.253 4.470 -0.000 0.000 0.298 278 S C -1.138 172.959 174.600 -0.838 0.000 1.083 278 S CA -0.909 57.083 58.200 -0.348 0.000 0.978 278 S CB 0.871 63.952 63.200 -0.198 0.000 1.073 278 S HN 0.933 nan 8.310 nan 0.000 0.491 279 N N 0.450 118.686 118.700 -0.774 0.000 2.883 279 N HA -0.133 4.607 4.740 -0.000 0.000 0.277 279 N C -1.849 172.960 175.510 -1.169 0.000 1.707 279 N CA 0.618 52.987 53.050 -1.134 0.000 1.494 279 N CB -1.157 36.313 38.487 -1.696 0.000 0.821 279 N HN 0.515 nan 8.380 nan 0.000 0.482 280 F N 1.311 121.213 119.950 -0.080 0.000 2.565 280 F HA 0.779 5.306 4.527 -0.000 0.000 0.313 280 F C 0.219 176.049 175.800 0.051 0.000 1.091 280 F CA -1.080 56.959 58.000 0.065 0.000 0.915 280 F CB 1.549 40.566 39.000 0.028 0.000 1.208 280 F HN 0.323 nan 8.300 nan 0.000 0.453 281 L N 0.038 121.258 121.223 -0.006 0.000 2.465 281 L HA 0.988 5.328 4.340 -0.000 0.000 0.257 281 L C -0.818 175.794 176.870 -0.429 0.000 0.988 281 L CA -0.545 54.069 54.840 -0.376 0.000 0.827 281 L CB 1.827 43.367 42.059 -0.865 0.000 1.397 281 L HN 0.608 nan 8.230 nan 0.000 0.410 282 T N -0.468 113.767 114.554 -0.532 0.000 2.889 282 T HA 0.465 4.815 4.350 -0.000 0.000 0.315 282 T C 0.394 174.624 174.700 -0.783 0.000 1.291 282 T CA 0.099 61.877 62.100 -0.536 0.000 1.028 282 T CB 1.054 69.748 68.868 -0.291 0.000 1.235 282 T HN 1.227 nan 8.240 nan 0.000 0.491 283 C N 1.398 120.244 119.300 -0.757 0.000 2.926 283 C HA 0.759 5.219 4.460 -0.000 0.000 0.272 283 C C 1.514 176.309 174.990 -0.324 0.000 1.249 283 C CA 0.035 58.618 59.018 -0.726 0.000 1.691 283 C CB -1.540 25.775 27.740 -0.708 0.000 1.983 283 C HN 1.586 nan 8.230 nan 0.000 0.615 284 G N 0.816 109.464 108.800 -0.253 0.000 2.829 284 G HA2 0.194 4.153 3.960 -0.000 0.000 0.628 284 G HA3 0.194 4.153 3.960 -0.000 0.000 0.628 284 G C -1.007 173.811 174.900 -0.137 0.000 1.412 284 G CA 0.210 45.223 45.100 -0.144 0.000 0.864 284 G HN 0.758 nan 8.290 nan 0.000 0.544 285 E N -1.382 118.758 120.200 -0.100 0.000 2.446 285 E HA 0.755 5.105 4.350 -0.000 0.000 0.276 285 E C -0.191 176.310 176.600 -0.166 0.000 0.969 285 E CA -0.790 55.408 56.400 -0.338 0.000 0.800 285 E CB 0.668 29.918 29.700 -0.750 0.000 1.341 285 E HN 1.489 nan 8.360 nan 0.000 0.460 286 F N -0.773 119.156 119.950 -0.034 0.000 2.616 286 F HA -0.134 4.393 4.527 -0.000 0.000 0.399 286 F C -2.136 173.646 175.800 -0.029 0.000 1.110 286 F CA 0.317 58.257 58.000 -0.100 0.000 1.278 286 F CB -1.689 37.364 39.000 0.087 0.000 1.799 286 F HN 0.205 nan 8.300 nan 0.000 0.784 287 P HA 0.260 nan 4.420 nan 0.000 0.276 287 P C 0.725 178.043 177.300 0.029 0.000 1.252 287 P CA 0.325 63.447 63.100 0.037 0.000 0.802 287 P CB 1.437 33.123 31.700 -0.024 0.000 1.035 288 T N -3.638 110.952 114.554 0.059 0.000 3.038 288 T HA 0.098 4.448 4.350 -0.000 0.000 0.244 288 T C 0.303 175.026 174.700 0.037 0.000 1.016 288 T CA 0.411 62.541 62.100 0.050 0.000 1.098 288 T CB -0.315 68.600 68.868 0.078 0.000 0.954 288 T HN 0.339 nan 8.240 nan 0.000 0.469 289 D N 1.361 121.791 120.400 0.050 0.000 2.414 289 D HA 0.236 4.876 4.640 -0.000 0.000 0.232 289 D C 0.825 177.158 176.300 0.056 0.000 1.070 289 D CA -0.507 53.534 54.000 0.069 0.000 0.839 289 D CB 1.329 42.179 40.800 0.083 0.000 1.079 289 D HN 0.032 nan 8.370 nan 0.000 0.521 290 E N 2.693 122.924 120.200 0.052 0.000 2.472 290 E HA -0.156 4.194 4.350 -0.000 0.000 0.200 290 E C 0.172 176.665 176.600 -0.177 0.000 1.046 290 E CA 0.699 57.058 56.400 -0.068 0.000 0.871 290 E CB 0.196 29.840 29.700 -0.093 0.000 0.806 290 E HN 0.639 nan 8.360 nan 0.000 0.533 291 Y N -0.192 120.101 120.300 -0.013 0.000 2.612 291 Y HA 0.202 4.752 4.550 -0.000 0.000 0.250 291 Y C -0.054 175.858 175.900 0.020 0.000 1.175 291 Y CA -0.515 57.585 58.100 0.001 0.000 1.205 291 Y CB 0.898 39.355 38.460 -0.006 0.000 1.201 291 Y HN -0.178 nan 8.280 nan 0.000 0.532 292 D N -0.053 120.409 120.400 0.104 0.000 2.575 292 D HA 0.256 4.896 4.640 -0.000 0.000 0.250 292 D C 0.524 176.856 176.300 0.053 0.000 1.279 292 D CA -0.151 53.899 54.000 0.083 0.000 0.925 292 D CB 1.102 41.953 40.800 0.085 0.000 1.261 292 D HN 0.058 nan 8.370 nan 0.000 0.567 293 L N 2.530 123.782 121.223 0.047 0.000 2.191 293 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 293 L C 1.223 178.109 176.870 0.027 0.000 1.103 293 L CA 0.687 55.543 54.840 0.026 0.000 0.769 293 L CB -0.098 41.975 42.059 0.023 0.000 0.908 293 L HN 0.401 nan 8.230 nan 0.000 0.438 294 N N -0.481 118.244 118.700 0.041 0.000 2.449 294 N HA -0.048 4.692 4.740 -0.000 0.000 0.191 294 N C 1.513 177.058 175.510 0.058 0.000 1.161 294 N CA 0.741 53.817 53.050 0.044 0.000 0.863 294 N CB 0.249 38.762 38.487 0.044 0.000 0.980 294 N HN 0.296 nan 8.380 nan 0.000 0.458 295 S N -0.893 114.845 115.700 0.064 0.000 2.577 295 S HA 0.230 4.699 4.470 -0.000 0.000 0.219 295 S C 0.709 175.376 174.600 0.111 0.000 0.962 295 S CA -0.462 57.788 58.200 0.082 0.000 0.921 295 S CB 0.481 63.726 63.200 0.075 0.000 0.789 295 S HN 0.046 nan 8.310 nan 0.000 0.497 296 R N 0.650 121.210 120.500 0.100 0.000 2.438 296 R HA 0.237 4.577 4.340 -0.000 0.000 0.287 296 R C 0.843 177.277 176.300 0.225 0.000 1.077 296 R CA -0.363 55.825 56.100 0.146 0.000 1.034 296 R CB 0.255 30.593 30.300 0.063 0.000 0.993 296 R HN 0.334 nan 8.270 nan 0.000 0.459 297 Y N 2.786 123.229 120.300 0.239 0.000 2.053 297 Y HA -0.227 4.322 4.550 -0.000 0.000 0.277 297 Y C 0.974 176.963 175.900 0.148 0.000 1.159 297 Y CA 1.820 60.085 58.100 0.276 0.000 1.125 297 Y CB -0.092 38.606 38.460 0.397 0.000 0.969 297 Y HN 0.557 nan 8.280 nan 0.000 0.492 298 T N 1.374 115.918 114.554 -0.017 0.000 2.806 298 T HA 0.420 4.770 4.350 -0.000 0.000 0.290 298 T C -2.579 172.013 174.700 -0.180 0.000 0.966 298 T CA -2.150 59.726 62.100 -0.374 0.000 1.060 298 T CB 1.586 70.371 68.868 -0.139 0.000 0.927 298 T HN 0.139 nan 8.240 nan 0.000 0.485 299 P HA 0.214 nan 4.420 nan 0.000 0.276 299 P C -0.806 176.421 177.300 -0.121 0.000 1.252 299 P CA -0.523 62.506 63.100 -0.119 0.000 0.802 299 P CB 0.723 32.364 31.700 -0.098 0.000 1.035 300 Q N 0.416 120.158 119.800 -0.097 0.000 2.214 300 Q HA 0.758 5.098 4.340 -0.000 0.000 0.251 300 Q C -0.214 175.740 176.000 -0.076 0.000 0.936 300 Q CA -0.902 54.822 55.803 -0.130 0.000 0.894 300 Q CB 1.011 29.688 28.738 -0.102 0.000 1.252 300 Q HN 0.806 nan 8.270 nan 0.000 0.448 301 G N -0.641 108.099 108.800 -0.099 0.000 2.316 301 G HA2 0.464 4.424 3.960 -0.000 0.000 0.296 301 G HA3 0.464 4.424 3.960 -0.000 0.000 0.296 301 G C -1.908 172.942 174.900 -0.084 0.000 1.399 301 G CA -0.305 44.779 45.100 -0.027 0.000 0.833 301 G HN 0.738 nan 8.290 nan 0.000 0.565 302 V N 1.069 120.963 119.914 -0.034 0.000 2.524 302 V HA 0.481 4.601 4.120 -0.000 0.000 0.297 302 V C -0.122 175.971 176.094 -0.003 0.000 1.035 302 V CA -0.550 61.678 62.300 -0.120 0.000 0.867 302 V CB 1.472 33.185 31.823 -0.183 0.000 1.004 302 V HN 0.666 nan 8.190 nan 0.000 0.426 303 I N 3.884 124.489 120.570 0.058 0.000 2.353 303 I HA 0.379 4.548 4.170 -0.000 0.000 0.293 303 I C -0.732 175.447 176.117 0.103 0.000 0.992 303 I CA -0.258 61.151 61.300 0.182 0.000 1.268 303 I CB 1.456 39.639 38.000 0.304 0.000 1.387 303 I HN 0.569 nan 8.210 nan 0.000 0.478 304 W N 4.668 126.093 121.300 0.207 0.000 2.496 304 W HA 0.559 5.219 4.660 -0.000 0.000 0.327 304 W C 1.053 177.599 176.519 0.045 0.000 1.086 304 W CA 0.598 58.014 57.345 0.118 0.000 1.222 304 W CB 1.360 30.905 29.460 0.143 0.000 1.304 304 W HN 0.828 nan 8.180 nan 0.000 0.547 305 G N 2.758 111.671 108.800 0.187 0.000 2.622 305 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.307 305 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.307 305 G C 0.231 175.172 174.900 0.067 0.000 1.226 305 G CA 1.060 46.196 45.100 0.060 0.000 0.997 305 G HN 0.647 nan 8.290 nan 0.000 0.551 306 N N 0.815 119.500 118.700 -0.024 0.000 2.433 306 N HA 0.340 5.080 4.740 -0.000 0.000 0.270 306 N C -1.162 174.274 175.510 -0.123 0.000 1.354 306 N CA 0.014 52.917 53.050 -0.245 0.000 0.889 306 N CB 0.933 38.950 38.487 -0.782 0.000 1.285 306 N HN 0.435 nan 8.380 nan 0.000 0.503 307 D N 1.095 121.537 120.400 0.070 0.000 2.441 307 D HA 0.160 4.800 4.640 -0.000 0.000 0.221 307 D C 0.697 177.093 176.300 0.160 0.000 1.156 307 D CA -0.210 53.853 54.000 0.105 0.000 0.896 307 D CB 0.642 41.511 40.800 0.116 0.000 1.028 307 D HN 0.199 nan 8.370 nan 0.000 0.509 308 L N 2.348 123.671 121.223 0.166 0.000 2.599 308 L HA -0.005 4.335 4.340 -0.000 0.000 0.230 308 L C 2.015 178.942 176.870 0.095 0.000 1.141 308 L CA 0.225 55.162 54.840 0.162 0.000 0.877 308 L CB -0.202 41.979 42.059 0.203 0.000 1.009 308 L HN 0.320 nan 8.230 nan 0.000 0.447 309 S N -1.044 114.708 115.700 0.086 0.000 2.478 309 S HA -0.036 4.433 4.470 -0.000 0.000 0.222 309 S C 0.880 175.519 174.600 0.066 0.000 1.008 309 S CA 0.006 58.240 58.200 0.056 0.000 0.928 309 S CB 0.166 63.395 63.200 0.048 0.000 0.781 309 S HN 0.286 nan 8.310 nan 0.000 0.518 310 K N 1.428 121.888 120.400 0.099 0.000 2.559 310 K HA 0.532 4.851 4.320 -0.000 0.000 0.249 310 K C -1.857 174.837 176.600 0.157 0.000 0.958 310 K CA -0.509 55.849 56.287 0.118 0.000 0.901 310 K CB 1.849 34.424 32.500 0.125 0.000 1.124 310 K HN 0.077 nan 8.250 nan 0.000 0.437 311 V N 4.124 124.114 119.914 0.126 0.000 2.328 311 V HA 0.183 4.303 4.120 -0.000 0.000 0.278 311 V C -0.204 175.975 176.094 0.142 0.000 1.021 311 V CA -0.812 61.564 62.300 0.127 0.000 0.838 311 V CB 1.171 33.040 31.823 0.077 0.000 0.999 311 V HN 0.763 nan 8.190 nan 0.000 0.447 312 D N 2.365 122.883 120.400 0.197 0.000 2.411 312 D HA 0.288 4.928 4.640 -0.000 0.000 0.251 312 D C -0.243 176.148 176.300 0.153 0.000 1.201 312 D CA -0.281 53.845 54.000 0.210 0.000 0.996 312 D CB 0.633 41.642 40.800 0.349 0.000 1.101 312 D HN 0.436 nan 8.370 nan 0.000 0.504 313 D N -0.205 120.288 120.400 0.155 0.000 2.256 313 D HA 0.136 4.776 4.640 -0.000 0.000 0.250 313 D C -0.517 175.879 176.300 0.160 0.000 1.093 313 D CA -0.385 53.691 54.000 0.127 0.000 0.882 313 D CB 0.384 41.239 40.800 0.092 0.000 1.185 313 D HN 0.113 nan 8.370 nan 0.000 0.437 314 F N 3.357 123.290 119.950 -0.028 0.000 2.472 314 F HA 0.219 4.746 4.527 -0.000 0.000 0.364 314 F C -0.077 175.735 175.800 0.020 0.000 1.090 314 F CA -0.539 57.414 58.000 -0.078 0.000 1.188 314 F CB 0.196 39.057 39.000 -0.233 0.000 1.105 314 F HN 0.046 nan 8.300 nan 0.000 0.536 315 N N 8.698 127.160 118.700 -0.396 0.000 2.569 315 N HA 0.379 5.119 4.740 -0.000 0.000 0.254 315 N C -2.216 173.083 175.510 -0.351 0.000 1.004 315 N CA -2.609 50.238 53.050 -0.337 0.000 0.904 315 N CB 1.601 40.054 38.487 -0.057 0.000 1.165 315 N HN 0.273 nan 8.380 nan 0.000 0.513 316 P HA -0.003 nan 4.420 nan 0.000 0.230 316 P C 0.057 177.566 177.300 0.349 0.000 1.158 316 P CA 0.747 63.859 63.100 0.020 0.000 0.769 316 P CB 0.552 32.405 31.700 0.254 0.000 0.807 317 D N -0.289 120.204 120.400 0.155 0.000 2.312 317 D HA -0.001 4.639 4.640 -0.000 0.000 0.211 317 D C 1.738 178.100 176.300 0.104 0.000 0.964 317 D CA 0.606 54.687 54.000 0.136 0.000 0.877 317 D CB -0.211 40.599 40.800 0.015 0.000 0.924 317 D HN 0.274 nan 8.370 nan 0.000 0.515 318 L N 0.544 121.759 121.223 -0.012 0.000 2.599 318 L HA 0.160 4.500 4.340 -0.000 0.000 0.230 318 L C 0.687 177.525 176.870 -0.053 0.000 1.141 318 L CA 0.101 54.825 54.840 -0.195 0.000 0.877 318 L CB 0.015 41.616 42.059 -0.764 0.000 1.009 318 L HN -0.138 nan 8.230 nan 0.000 0.447 319 I N 0.246 120.923 120.570 0.178 0.000 2.365 319 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 319 I C 0.198 176.330 176.117 0.026 0.000 1.004 319 I CA 0.090 61.522 61.300 0.219 0.000 1.311 319 I CB 1.088 39.245 38.000 0.261 0.000 1.401 319 I HN 0.028 nan 8.210 nan 0.000 0.491 320 E N 5.924 126.122 120.200 -0.002 0.000 2.292 320 E HA 0.354 4.704 4.350 -0.000 0.000 0.272 320 E C -1.294 175.224 176.600 -0.136 0.000 0.881 320 E CA -0.690 55.651 56.400 -0.098 0.000 0.754 320 E CB 2.554 32.206 29.700 -0.080 0.000 1.201 320 E HN 0.519 nan 8.360 nan 0.000 0.425 321 E N 2.141 122.215 120.200 -0.210 0.000 2.133 321 E HA 0.271 4.621 4.350 -0.000 0.000 0.274 321 E C -0.459 176.016 176.600 -0.209 0.000 0.930 321 E CA -0.434 55.852 56.400 -0.189 0.000 0.770 321 E CB 1.375 30.951 29.700 -0.206 0.000 1.104 321 E HN 0.326 nan 8.360 nan 0.000 0.403 322 H N 0.977 119.961 119.070 -0.144 0.000 2.488 322 H HA 0.212 4.768 4.556 -0.000 0.000 0.347 322 H C 0.674 175.940 175.328 -0.102 0.000 1.174 322 H CA -0.295 55.684 56.048 -0.115 0.000 1.307 322 H CB 1.965 31.683 29.762 -0.072 0.000 1.517 322 H HN 0.377 nan 8.280 nan 0.000 0.554 323 V N -0.681 119.238 119.914 0.009 0.000 3.329 323 V HA 0.140 4.260 4.120 -0.000 0.000 0.317 323 V C 1.531 177.596 176.094 -0.050 0.000 1.495 323 V CA -0.314 61.995 62.300 0.016 0.000 1.105 323 V CB 0.261 32.112 31.823 0.046 0.000 0.985 323 V HN 0.613 nan 8.190 nan 0.000 0.475 324 K N 0.494 120.845 120.400 -0.082 0.000 2.103 324 K HA -0.086 4.234 4.320 -0.000 0.000 0.207 324 K C 0.727 176.985 176.600 -0.571 0.000 1.048 324 K CA 2.088 58.192 56.287 -0.306 0.000 0.930 324 K CB -0.097 32.177 32.500 -0.375 0.000 0.716 324 K HN 0.679 nan 8.250 nan 0.000 0.444 325 Y N -0.050 120.158 120.300 -0.152 0.000 2.720 325 Y HA 0.266 4.816 4.550 -0.000 0.000 0.277 325 Y C -0.198 175.357 175.900 -0.574 0.000 1.144 325 Y CA -0.571 57.349 58.100 -0.299 0.000 1.221 325 Y CB 0.937 39.211 38.460 -0.312 0.000 1.163 325 Y HN -0.146 nan 8.280 nan 0.000 0.537 326 S N -1.349 114.137 115.700 -0.356 0.000 2.677 326 S HA 0.308 4.777 4.470 -0.000 0.000 0.304 326 S C -0.850 173.476 174.600 -0.457 0.000 1.108 326 S CA -0.798 57.132 58.200 -0.450 0.000 0.944 326 S CB 1.198 64.415 63.200 0.029 0.000 1.127 326 S HN 0.273 nan 8.310 nan 0.000 0.511 327 W N 2.619 123.617 121.300 -0.504 0.000 1.496 327 W HA 0.383 5.043 4.660 -0.000 0.000 0.422 327 W C -1.124 174.937 176.519 -0.764 0.000 0.638 327 W CA -0.519 56.387 57.345 -0.730 0.000 2.105 327 W CB -1.308 27.335 29.460 -1.362 0.000 1.639 327 W HN 0.509 nan 8.180 nan 0.000 0.304 328 Y N -0.740 119.598 120.300 0.063 0.000 2.581 328 Y HA 0.223 4.773 4.550 -0.000 0.000 0.345 328 Y C 0.585 176.507 175.900 0.037 0.000 1.036 328 Y CA -1.582 56.564 58.100 0.076 0.000 1.042 328 Y CB 1.167 39.669 38.460 0.070 0.000 1.289 328 Y HN -0.046 nan 8.280 nan 0.000 0.471 329 E N 1.212 121.539 120.200 0.212 0.000 2.452 329 E HA 0.314 4.664 4.350 -0.000 0.000 0.261 329 E C 0.671 177.321 176.600 0.083 0.000 0.987 329 E CA 1.104 57.574 56.400 0.115 0.000 0.926 329 E CB 0.344 30.107 29.700 0.105 0.000 0.934 329 E HN 0.885 nan 8.360 nan 0.000 0.452 330 G N 2.534 111.355 108.800 0.034 0.000 2.575 330 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.267 330 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.267 330 G C 0.269 175.147 174.900 -0.036 0.000 1.264 330 G CA -0.036 45.062 45.100 -0.002 0.000 0.935 330 G HN 0.824 nan 8.290 nan 0.000 0.568 331 A N -0.276 122.510 122.820 -0.057 0.000 2.605 331 A HA 0.736 5.056 4.320 -0.000 0.000 0.292 331 A C 0.979 178.496 177.584 -0.112 0.000 1.055 331 A CA 1.290 53.276 52.037 -0.086 0.000 0.969 331 A CB 0.002 18.943 19.000 -0.098 0.000 1.236 331 A HN 2.226 nan 8.150 nan 0.000 0.534 332 G N 0.160 108.869 108.800 -0.153 0.000 2.432 332 G HA2 0.537 4.497 3.960 -0.000 0.000 0.257 332 G HA3 0.537 4.497 3.960 -0.000 0.000 0.257 332 G C 0.055 174.668 174.900 -0.479 0.000 1.238 332 G CA 0.447 45.360 45.100 -0.311 0.000 0.838 332 G HN 0.895 nan 8.290 nan 0.000 0.547 333 A N 2.553 124.998 122.820 -0.625 0.000 2.317 333 A HA 0.732 5.052 4.320 -0.000 0.000 0.327 333 A C -0.508 176.661 177.584 -0.692 0.000 1.178 333 A CA -0.669 50.929 52.037 -0.732 0.000 0.817 333 A CB 0.876 19.195 19.000 -1.136 0.000 1.189 333 A HN 0.766 nan 8.150 nan 0.000 0.489 334 H N 1.037 119.968 119.070 -0.233 0.000 2.717 334 H HA 0.273 4.829 4.556 -0.000 0.000 0.366 334 H C -0.601 174.623 175.328 -0.174 0.000 1.132 334 H CA -0.434 55.519 56.048 -0.159 0.000 1.180 334 H CB 1.414 31.089 29.762 -0.145 0.000 1.678 334 H HN 0.886 nan 8.280 nan 0.000 0.537 335 H N 3.804 122.841 119.070 -0.054 0.000 2.771 335 H HA 0.005 4.561 4.556 -0.000 0.000 0.364 335 H C -1.705 173.420 175.328 -0.339 0.000 1.133 335 H CA -1.300 54.627 56.048 -0.201 0.000 1.423 335 H CB 1.410 31.088 29.762 -0.141 0.000 1.425 335 H HN 0.304 nan 8.280 nan 0.000 0.606 336 P HA -0.168 nan 4.420 nan 0.000 0.219 336 P C 0.833 177.752 177.300 -0.634 0.000 1.146 336 P CA 1.245 63.672 63.100 -1.122 0.000 0.808 336 P CB -0.112 30.383 31.700 -2.007 0.000 0.779 337 Y N 0.115 120.249 120.300 -0.276 0.000 2.421 337 Y HA -0.043 4.507 4.550 -0.000 0.000 0.292 337 Y C 1.649 177.521 175.900 -0.046 0.000 1.136 337 Y CA 0.902 59.005 58.100 0.006 0.000 1.255 337 Y CB -0.534 38.031 38.460 0.176 0.000 0.991 337 Y HN -0.023 nan 8.280 nan 0.000 0.552 338 K N -0.210 120.227 120.400 0.061 0.000 2.537 338 K HA 0.254 4.574 4.320 -0.000 0.000 0.206 338 K C 0.746 177.184 176.600 -0.271 0.000 1.041 338 K CA -0.073 56.169 56.287 -0.075 0.000 1.090 338 K CB 0.455 32.938 32.500 -0.027 0.000 0.833 338 K HN 0.110 nan 8.250 nan 0.000 0.493 339 G N 1.336 110.017 108.800 -0.198 0.000 2.544 339 G HA2 0.294 4.254 3.960 -0.000 0.000 0.242 339 G HA3 0.294 4.254 3.960 -0.000 0.000 0.242 339 G C -0.002 174.776 174.900 -0.203 0.000 1.247 339 G CA -0.254 44.729 45.100 -0.194 0.000 0.840 339 G HN 0.060 nan 8.290 nan 0.000 0.578 340 V N -1.550 118.278 119.914 -0.144 0.000 2.925 340 V HA 0.844 4.964 4.120 -0.000 0.000 0.311 340 V C -0.301 175.770 176.094 -0.040 0.000 1.104 340 V CA -0.871 61.381 62.300 -0.081 0.000 0.954 340 V CB 2.050 33.819 31.823 -0.089 0.000 1.022 340 V HN 0.654 nan 8.190 nan 0.000 0.427 341 T N 4.454 119.024 114.554 0.026 0.000 3.226 341 T HA 0.457 4.807 4.350 -0.000 0.000 0.378 341 T C -0.558 174.274 174.700 0.220 0.000 1.380 341 T CA -0.549 61.611 62.100 0.099 0.000 1.396 341 T CB 0.118 69.086 68.868 0.166 0.000 1.044 341 T HN 0.769 nan 8.240 nan 0.000 0.586 342 K N 3.313 123.876 120.400 0.272 0.000 2.530 342 K HA 0.320 4.639 4.320 -0.000 0.000 0.230 342 K C -3.014 173.790 176.600 0.341 0.000 1.002 342 K CA -2.128 54.308 56.287 0.247 0.000 1.014 342 K CB 1.788 34.386 32.500 0.163 0.000 1.286 342 K HN 0.245 nan 8.250 nan 0.000 0.480 343 P HA 0.025 nan 4.420 nan 0.000 0.267 343 P C -0.594 176.753 177.300 0.077 0.000 1.205 343 P CA -0.004 63.102 63.100 0.009 0.000 0.765 343 P CB 0.706 32.170 31.700 -0.394 0.000 0.828 344 K N 4.388 124.826 120.400 0.063 0.000 2.723 344 K HA 0.123 4.443 4.320 -0.000 0.000 0.229 344 K C -0.699 175.955 176.600 0.090 0.000 1.022 344 K CA -0.565 55.779 56.287 0.095 0.000 1.045 344 K CB 0.819 33.365 32.500 0.078 0.000 1.227 344 K HN 0.556 nan 8.250 nan 0.000 0.516 345 W N 4.689 125.908 121.300 -0.136 0.000 2.210 345 W HA 0.003 4.663 4.660 0.000 0.000 0.330 345 W C 0.038 176.393 176.519 -0.274 0.000 1.334 345 W CA 0.734 57.830 57.345 -0.414 0.000 1.227 345 W CB 1.013 30.288 29.460 -0.308 0.000 1.178 345 W HN 0.674 nan 8.180 nan 0.000 0.560 346 T N 1.328 115.418 114.554 -0.773 0.000 3.209 346 T HA 0.257 4.606 4.350 -0.000 0.000 0.295 346 T C -0.264 173.942 174.700 -0.824 0.000 0.977 346 T CA -0.209 61.552 62.100 -0.565 0.000 0.922 346 T CB 0.083 68.865 68.868 -0.143 0.000 1.152 346 T HN 0.651 nan 8.240 nan 0.000 0.527 347 E N -0.010 119.077 120.200 -1.855 0.000 9.073 347 E HA -0.143 4.206 4.350 -0.000 0.000 0.486 347 E C -1.311 175.025 176.600 -0.440 0.000 1.369 347 E CA -0.315 55.187 56.400 -1.496 0.000 2.399 347 E CB -0.807 28.479 29.700 -0.689 0.000 1.019 347 E HN 0.226 nan 8.360 nan 0.000 0.265 348 F N 3.037 122.786 119.950 -0.335 0.000 2.569 348 F HA -0.048 4.479 4.527 -0.000 0.000 0.395 348 F C 1.613 177.418 175.800 0.008 0.000 1.028 348 F CA 1.481 59.486 58.000 0.009 0.000 1.158 348 F CB -0.864 38.177 39.000 0.069 0.000 1.023 348 F HN 0.473 nan 8.300 nan 0.000 0.547 349 H N -0.405 118.801 119.070 0.226 0.000 2.958 349 H HA -0.161 4.394 4.556 -0.000 0.000 0.274 349 H C 1.044 176.411 175.328 0.064 0.000 1.184 349 H CA 0.587 56.685 56.048 0.084 0.000 1.143 349 H CB -1.423 28.315 29.762 -0.040 0.000 1.297 349 H HN 0.705 nan 8.280 nan 0.000 0.356 350 G N 0.719 109.590 108.800 0.118 0.000 2.356 350 G HA2 0.309 4.269 3.960 -0.000 0.000 0.273 350 G HA3 0.309 4.269 3.960 -0.000 0.000 0.273 350 G C 0.478 175.403 174.900 0.041 0.000 1.213 350 G CA 0.387 45.495 45.100 0.013 0.000 0.955 350 G HN 0.442 nan 8.290 nan 0.000 0.454 351 E N 2.084 122.306 120.200 0.038 0.000 2.791 351 E HA -0.219 4.131 4.350 -0.000 0.000 0.271 351 E C 0.163 176.814 176.600 0.085 0.000 1.044 351 E CA 0.511 56.931 56.400 0.033 0.000 0.814 351 E CB -0.792 28.903 29.700 -0.009 0.000 1.400 351 E HN 0.810 nan 8.360 nan 0.000 0.423 352 D N -2.263 118.236 120.400 0.164 0.000 3.028 352 D HA -0.192 4.448 4.640 -0.000 0.000 0.207 352 D C 0.061 176.588 176.300 0.379 0.000 1.100 352 D CA 1.570 55.762 54.000 0.321 0.000 0.995 352 D CB -0.927 40.142 40.800 0.448 0.000 1.108 352 D HN 0.419 nan 8.370 nan 0.000 0.421 353 R N 0.235 120.800 120.500 0.108 0.000 2.390 353 R HA 0.340 4.680 4.340 -0.000 0.000 0.291 353 R C 0.921 176.990 176.300 -0.385 0.000 1.070 353 R CA -0.141 55.838 56.100 -0.202 0.000 1.014 353 R CB 0.268 30.365 30.300 -0.339 0.000 1.007 353 R HN 0.354 nan 8.270 nan 0.000 0.466 354 Y N -1.704 118.102 120.300 -0.824 0.000 2.809 354 Y HA 0.493 5.043 4.550 -0.000 0.000 0.251 354 Y C -0.549 174.602 175.900 -1.248 0.000 1.136 354 Y CA -0.729 56.760 58.100 -1.018 0.000 1.185 354 Y CB 0.694 38.769 38.460 -0.642 0.000 1.260 354 Y HN 0.410 nan 8.280 nan 0.000 0.576 355 S N -0.666 113.960 115.700 -1.790 0.000 2.537 355 S HA 0.241 4.711 4.470 -0.000 0.000 0.271 355 S C -1.128 173.095 174.600 -0.628 0.000 1.148 355 S CA -0.673 56.953 58.200 -0.957 0.000 0.868 355 S CB 0.291 63.180 63.200 -0.519 0.000 1.115 355 S HN 0.449 nan 8.310 nan 0.000 0.461 356 W N 2.578 123.951 121.300 0.121 0.000 3.139 356 W HA 0.323 4.983 4.660 -0.000 0.000 0.260 356 W C 0.903 177.599 176.519 0.295 0.000 1.312 356 W CA -0.332 57.198 57.345 0.309 0.000 1.606 356 W CB 0.309 30.038 29.460 0.449 0.000 1.118 356 W HN 0.277 nan 8.180 nan 0.000 0.675 357 M N 1.193 120.988 119.600 0.324 0.000 2.277 357 M HA 0.182 4.662 4.480 -0.000 0.000 0.350 357 M C 0.441 176.836 176.300 0.157 0.000 1.180 357 M CA -0.011 55.416 55.300 0.212 0.000 1.103 357 M CB 1.242 33.902 32.600 0.100 0.000 1.577 357 M HN -0.247 nan 8.290 nan 0.000 0.459 358 K N 1.197 121.658 120.400 0.102 0.000 2.117 358 K HA 0.554 4.873 4.320 -0.000 0.000 0.240 358 K C -0.350 176.220 176.600 -0.049 0.000 1.031 358 K CA -0.496 55.791 56.287 -0.000 0.000 0.909 358 K CB 0.763 33.196 32.500 -0.113 0.000 1.097 358 K HN 0.727 nan 8.250 nan 0.000 0.492 359 A N 2.654 125.440 122.820 -0.057 0.000 2.511 359 A HA 0.362 4.682 4.320 -0.000 0.000 0.340 359 A C -2.497 175.009 177.584 -0.130 0.000 1.396 359 A CA -1.736 50.254 52.037 -0.078 0.000 0.887 359 A CB 0.201 19.188 19.000 -0.021 0.000 1.145 359 A HN 0.299 nan 8.150 nan 0.000 0.497 360 P HA 0.354 nan 4.420 nan 0.000 0.271 360 P C -0.393 176.619 177.300 -0.480 0.000 1.220 360 P CA -0.048 62.645 63.100 -0.678 0.000 0.768 360 P CB 0.666 31.422 31.700 -1.573 0.000 0.848 361 R N 2.472 122.904 120.500 -0.114 0.000 2.670 361 R HA 0.453 4.792 4.340 -0.000 0.000 0.289 361 R C -1.362 175.212 176.300 0.457 0.000 0.965 361 R CA -1.253 54.989 56.100 0.237 0.000 0.899 361 R CB 0.735 31.173 30.300 0.230 0.000 1.173 361 R HN 0.451 nan 8.270 nan 0.000 0.456 362 Y N 2.522 123.140 120.300 0.531 0.000 2.369 362 Y HA 0.187 4.737 4.550 -0.000 0.000 0.337 362 Y C 0.627 176.763 175.900 0.394 0.000 0.961 362 Y CA -0.526 57.795 58.100 0.368 0.000 1.186 362 Y CB 0.749 39.130 38.460 -0.131 0.000 1.139 362 Y HN 0.729 nan 8.280 nan 0.000 0.494 363 K N 4.725 125.106 120.400 -0.031 0.000 3.077 363 K HA -0.255 4.065 4.320 -0.000 0.000 0.264 363 K C 0.788 177.536 176.600 0.247 0.000 1.008 363 K CA 1.062 57.380 56.287 0.053 0.000 0.740 363 K CB -1.533 31.041 32.500 0.124 0.000 1.273 363 K HN 1.468 nan 8.250 nan 0.000 0.477 364 G N -0.922 108.027 108.800 0.250 0.000 2.184 364 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.264 364 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.264 364 G C -0.250 174.815 174.900 0.275 0.000 0.975 364 G CA 0.818 46.062 45.100 0.240 0.000 0.642 364 G HN 0.485 nan 8.290 nan 0.000 0.536 365 E N -0.057 120.407 120.200 0.440 0.000 2.222 365 E HA 0.710 5.060 4.350 -0.000 0.000 0.267 365 E C 0.445 177.325 176.600 0.467 0.000 0.963 365 E CA -0.052 56.603 56.400 0.425 0.000 0.837 365 E CB 1.600 31.655 29.700 0.593 0.000 1.183 365 E HN 0.718 nan 8.360 nan 0.000 0.403 366 A N 1.992 124.959 122.820 0.246 0.000 2.363 366 A HA 0.557 4.877 4.320 -0.000 0.000 0.270 366 A C -0.845 176.835 177.584 0.161 0.000 1.121 366 A CA -0.015 52.160 52.037 0.229 0.000 0.800 366 A CB -0.015 19.025 19.000 0.067 0.000 1.052 366 A HN 0.436 nan 8.150 nan 0.000 0.493 367 F N -0.449 119.621 119.950 0.200 0.000 2.640 367 F HA 0.530 5.057 4.527 -0.000 0.000 0.324 367 F C 0.243 176.053 175.800 0.016 0.000 1.077 367 F CA -0.410 57.584 58.000 -0.010 0.000 0.965 367 F CB 2.156 41.058 39.000 -0.163 0.000 1.351 367 F HN 0.679 nan 8.300 nan 0.000 0.487 368 E N 1.541 121.767 120.200 0.043 0.000 2.187 368 E HA 0.652 5.002 4.350 -0.000 0.000 0.268 368 E C -1.716 174.949 176.600 0.108 0.000 0.896 368 E CA -0.764 55.707 56.400 0.118 0.000 0.766 368 E CB 1.841 31.587 29.700 0.077 0.000 1.142 368 E HN 0.487 nan 8.360 nan 0.000 0.408 369 V N 0.931 120.904 119.914 0.100 0.000 2.960 369 V HA 1.041 5.161 4.120 -0.000 0.000 0.315 369 V C 0.261 176.392 176.094 0.062 0.000 1.087 369 V CA 0.282 62.565 62.300 -0.027 0.000 0.982 369 V CB 1.075 32.771 31.823 -0.213 0.000 1.039 369 V HN 0.984 nan 8.190 nan 0.000 0.437 370 G N 2.356 111.160 108.800 0.007 0.000 2.315 370 G HA2 0.142 4.102 3.960 -0.000 0.000 0.296 370 G HA3 0.142 4.102 3.960 -0.000 0.000 0.296 370 G C -2.746 172.144 174.900 -0.017 0.000 1.289 370 G CA 0.045 45.151 45.100 0.011 0.000 0.996 370 G HN 0.609 nan 8.290 nan 0.000 0.487 371 P HA -0.039 nan 4.420 nan 0.000 0.215 371 P C 2.270 179.514 177.300 -0.094 0.000 1.157 371 P CA 1.486 64.551 63.100 -0.060 0.000 0.874 371 P CB 0.091 31.721 31.700 -0.117 0.000 0.790 372 L N -0.202 120.955 121.223 -0.109 0.000 1.989 372 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 372 L C 2.307 179.065 176.870 -0.187 0.000 1.071 372 L CA 2.286 57.021 54.840 -0.176 0.000 0.749 372 L CB -1.634 40.339 42.059 -0.145 0.000 0.890 372 L HN -0.099 nan 8.230 nan 0.000 0.431 373 A N -1.557 121.247 122.820 -0.028 0.000 1.902 373 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 373 A C 2.365 179.912 177.584 -0.062 0.000 1.181 373 A CA 2.088 54.146 52.037 0.035 0.000 0.623 373 A CB -0.985 18.109 19.000 0.156 0.000 0.818 373 A HN 0.556 nan 8.150 nan 0.000 0.443 374 S N -0.388 115.269 115.700 -0.071 0.000 2.356 374 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 374 S C 1.880 176.431 174.600 -0.083 0.000 1.032 374 S CA 1.496 59.651 58.200 -0.076 0.000 1.005 374 S CB -0.563 62.618 63.200 -0.031 0.000 0.867 374 S HN 0.338 nan 8.310 nan 0.000 0.449 375 V N 2.074 121.932 119.914 -0.093 0.000 2.427 375 V HA -0.108 4.012 4.120 -0.000 0.000 0.248 375 V C 2.147 178.185 176.094 -0.094 0.000 1.051 375 V CA 1.336 63.578 62.300 -0.098 0.000 1.048 375 V CB -0.708 31.032 31.823 -0.140 0.000 0.666 375 V HN 0.399 nan 8.190 nan 0.000 0.456 376 L N -0.698 120.427 121.223 -0.163 0.000 2.093 376 L HA -0.115 4.224 4.340 -0.000 0.000 0.208 376 L C 2.443 179.305 176.870 -0.014 0.000 1.085 376 L CA 0.981 55.739 54.840 -0.137 0.000 0.755 376 L CB -0.455 41.387 42.059 -0.362 0.000 0.904 376 L HN 0.204 nan 8.230 nan 0.000 0.435 377 V N 0.014 119.906 119.914 -0.037 0.000 2.270 377 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 377 V C 2.756 178.840 176.094 -0.017 0.000 1.043 377 V CA 1.806 64.093 62.300 -0.021 0.000 1.014 377 V CB -0.876 30.914 31.823 -0.055 0.000 0.645 377 V HN 0.470 nan 8.190 nan 0.000 0.447 378 A N -0.735 122.062 122.820 -0.039 0.000 1.883 378 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 378 A C 2.196 179.824 177.584 0.073 0.000 1.186 378 A CA 2.422 54.437 52.037 -0.037 0.000 0.624 378 A CB -0.894 18.023 19.000 -0.138 0.000 0.822 378 A HN 0.656 nan 8.150 nan 0.000 0.444 379 Y N 0.536 120.812 120.300 -0.040 0.000 2.145 379 Y HA -0.065 4.485 4.550 -0.000 0.000 0.286 379 Y C 2.654 178.543 175.900 -0.018 0.000 1.145 379 Y CA 1.315 59.397 58.100 -0.031 0.000 1.148 379 Y CB -0.621 37.796 38.460 -0.071 0.000 0.981 379 Y HN 0.299 nan 8.280 nan 0.000 0.507 380 A N 0.145 122.934 122.820 -0.053 0.000 1.972 380 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 380 A C 2.055 179.582 177.584 -0.095 0.000 1.169 380 A CA 1.780 53.752 52.037 -0.108 0.000 0.635 380 A CB -0.520 18.485 19.000 0.008 0.000 0.810 380 A HN 0.503 nan 8.150 nan 0.000 0.446 381 K N -0.602 119.770 120.400 -0.047 0.000 2.458 381 K HA 0.103 4.422 4.320 -0.000 0.000 0.194 381 K C -0.477 176.106 176.600 -0.029 0.000 1.024 381 K CA 0.031 56.303 56.287 -0.025 0.000 1.108 381 K CB 0.056 32.554 32.500 -0.003 0.000 0.846 381 K HN 0.393 nan 8.250 nan 0.000 0.518 382 K N 0.923 121.278 120.400 -0.074 0.000 3.239 382 K HA -0.213 4.106 4.320 -0.000 0.000 0.270 382 K C -0.754 175.848 176.600 0.003 0.000 1.049 382 K CA 0.323 56.567 56.287 -0.072 0.000 0.769 382 K CB -1.901 30.553 32.500 -0.077 0.000 1.305 382 K HN 0.416 nan 8.250 nan 0.000 0.469 383 H N 1.090 120.124 119.070 -0.060 0.000 2.864 383 H HA 0.101 4.657 4.556 -0.000 0.000 0.281 383 H C 1.267 176.572 175.328 -0.038 0.000 1.093 383 H CA -0.017 55.991 56.048 -0.067 0.000 1.453 383 H CB 0.727 30.424 29.762 -0.109 0.000 1.462 383 H HN 0.160 nan 8.280 nan 0.000 0.480 384 E N 5.232 125.283 120.200 -0.249 0.000 2.086 384 E HA -0.170 4.180 4.350 -0.000 0.000 0.200 384 E C -0.800 175.704 176.600 -0.159 0.000 1.012 384 E CA 1.749 58.045 56.400 -0.173 0.000 0.812 384 E CB -0.848 28.767 29.700 -0.142 0.000 0.743 384 E HN 0.686 nan 8.360 nan 0.000 0.453 385 P HA -0.110 nan 4.420 nan 0.000 0.215 385 P C 1.503 178.804 177.300 0.002 0.000 1.157 385 P CA 1.619 64.648 63.100 -0.119 0.000 0.868 385 P CB -0.278 31.366 31.700 -0.094 0.000 0.788 386 T N -0.184 114.427 114.554 0.095 0.000 2.674 386 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 386 T C 1.939 176.716 174.700 0.128 0.000 1.039 386 T CA 1.453 63.650 62.100 0.161 0.000 1.150 386 T CB -1.098 67.936 68.868 0.276 0.000 0.864 386 T HN -0.142 nan 8.240 nan 0.000 0.427 387 V N 1.513 121.532 119.914 0.174 0.000 2.287 387 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 387 V C 2.502 178.661 176.094 0.108 0.000 1.053 387 V CA 1.631 64.078 62.300 0.246 0.000 1.027 387 V CB -0.500 31.395 31.823 0.121 0.000 0.646 387 V HN 0.454 nan 8.190 nan 0.000 0.447 388 K N -0.099 120.320 120.400 0.032 0.000 2.097 388 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 388 K C 2.268 178.855 176.600 -0.022 0.000 1.049 388 K CA 1.464 57.750 56.287 -0.001 0.000 0.933 388 K CB -0.348 32.139 32.500 -0.022 0.000 0.717 388 K HN 0.495 nan 8.250 nan 0.000 0.442 389 A N 0.766 123.568 122.820 -0.030 0.000 1.897 389 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 389 A C 2.318 179.829 177.584 -0.122 0.000 1.181 389 A CA 1.048 53.043 52.037 -0.070 0.000 0.620 389 A CB -0.477 18.487 19.000 -0.060 0.000 0.821 389 A HN 0.060 nan 8.150 nan 0.000 0.443 390 V N 0.729 120.550 119.914 -0.154 0.000 2.295 390 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 390 V C 2.196 178.159 176.094 -0.218 0.000 1.049 390 V CA 2.383 64.509 62.300 -0.290 0.000 1.024 390 V CB -0.746 30.720 31.823 -0.596 0.000 0.648 390 V HN 0.518 nan 8.190 nan 0.000 0.447 391 D N -0.106 120.221 120.400 -0.120 0.000 2.123 391 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 391 D C 1.985 178.234 176.300 -0.085 0.000 0.992 391 D CA 1.524 55.482 54.000 -0.069 0.000 0.833 391 D CB -0.466 40.330 40.800 -0.007 0.000 0.954 391 D HN 0.377 nan 8.370 nan 0.000 0.455 392 L N 0.783 121.953 121.223 -0.089 0.000 1.990 392 L HA -0.204 4.135 4.340 -0.000 0.000 0.213 392 L C 2.217 179.019 176.870 -0.113 0.000 1.072 392 L CA 1.592 56.376 54.840 -0.093 0.000 0.755 392 L CB -0.665 41.336 42.059 -0.098 0.000 0.889 392 L HN -0.097 nan 8.230 nan 0.000 0.432 393 V N -0.032 119.798 119.914 -0.141 0.000 2.223 393 V HA -0.321 3.799 4.120 -0.000 0.000 0.244 393 V C 2.605 178.612 176.094 -0.146 0.000 1.045 393 V CA 2.268 64.470 62.300 -0.163 0.000 1.000 393 V CB -0.674 31.029 31.823 -0.200 0.000 0.635 393 V HN 0.515 nan 8.190 nan 0.000 0.445 394 L N 0.248 121.383 121.223 -0.147 0.000 2.127 394 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 394 L C 2.622 179.437 176.870 -0.092 0.000 1.089 394 L CA 1.901 56.668 54.840 -0.122 0.000 0.757 394 L CB -0.783 41.201 42.059 -0.124 0.000 0.899 394 L HN 0.394 nan 8.230 nan 0.000 0.434 395 K N 0.177 120.524 120.400 -0.088 0.000 2.103 395 K HA -0.119 4.200 4.320 -0.000 0.000 0.204 395 K C 1.867 178.421 176.600 -0.077 0.000 1.052 395 K CA 1.723 57.969 56.287 -0.070 0.000 0.945 395 K CB -0.048 32.416 32.500 -0.060 0.000 0.722 395 K HN 0.205 nan 8.250 nan 0.000 0.443 396 T N 1.767 116.265 114.554 -0.093 0.000 2.857 396 T HA 0.029 4.379 4.350 -0.000 0.000 0.266 396 T C 1.707 176.344 174.700 -0.105 0.000 1.048 396 T CA 0.881 62.921 62.100 -0.099 0.000 1.139 396 T CB 0.056 68.857 68.868 -0.112 0.000 0.874 396 T HN 0.174 nan 8.240 nan 0.000 0.455 397 L N 0.401 121.559 121.223 -0.108 0.000 2.567 397 L HA 0.315 4.655 4.340 -0.000 0.000 0.225 397 L C 1.561 178.381 176.870 -0.083 0.000 1.119 397 L CA -0.039 54.739 54.840 -0.105 0.000 0.871 397 L CB -0.447 41.548 42.059 -0.106 0.000 1.036 397 L HN 0.382 nan 8.230 nan 0.000 0.459 398 G N 1.743 110.499 108.800 -0.074 0.000 2.350 398 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.298 398 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.298 398 G C -0.038 174.834 174.900 -0.047 0.000 1.037 398 G CA 0.491 45.557 45.100 -0.056 0.000 1.074 398 G HN 0.311 nan 8.290 nan 0.000 0.511 399 V N -2.737 117.147 119.914 -0.050 0.000 3.156 399 V HA 1.072 5.192 4.120 -0.000 0.000 0.310 399 V C 0.743 176.814 176.094 -0.039 0.000 1.234 399 V CA -0.195 62.083 62.300 -0.037 0.000 1.065 399 V CB 1.669 33.469 31.823 -0.039 0.000 1.088 399 V HN 1.316 nan 8.190 nan 0.000 0.451 400 G N -0.937 107.850 108.800 -0.022 0.000 2.705 400 G HA2 0.678 4.638 3.960 -0.000 0.000 0.299 400 G HA3 0.678 4.638 3.960 -0.000 0.000 0.299 400 G C -2.191 172.688 174.900 -0.035 0.000 1.315 400 G CA -1.302 43.790 45.100 -0.013 0.000 1.045 400 G HN 0.616 nan 8.290 nan 0.000 0.517 401 P HA -0.014 nan 4.420 nan 0.000 0.226 401 P C 1.319 178.602 177.300 -0.028 0.000 1.153 401 P CA 1.055 64.109 63.100 -0.077 0.000 0.777 401 P CB 0.182 31.909 31.700 0.044 0.000 0.794 402 E N 0.037 120.307 120.200 0.117 0.000 2.418 402 E HA -0.045 4.305 4.350 -0.000 0.000 0.197 402 E C 1.705 178.426 176.600 0.202 0.000 1.026 402 E CA 0.777 57.351 56.400 0.289 0.000 0.862 402 E CB -0.660 29.170 29.700 0.216 0.000 0.799 402 E HN 0.095 nan 8.360 nan 0.000 0.518 403 A N 1.090 123.935 122.820 0.042 0.000 2.067 403 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 403 A C 2.102 179.636 177.584 -0.084 0.000 1.156 403 A CA 0.410 52.448 52.037 0.001 0.000 0.683 403 A CB -0.388 18.593 19.000 -0.032 0.000 0.808 403 A HN 0.317 nan 8.150 nan 0.000 0.455 404 L N -1.623 119.452 121.223 -0.246 0.000 2.201 404 L HA -0.054 4.286 4.340 -0.000 0.000 0.212 404 L C 0.493 177.083 176.870 -0.468 0.000 1.105 404 L CA 0.462 55.033 54.840 -0.448 0.000 0.775 404 L CB -0.424 41.219 42.059 -0.695 0.000 0.913 404 L HN 0.350 nan 8.230 nan 0.000 0.440 405 F N 0.849 120.776 119.950 -0.037 0.000 2.668 405 F HA 0.106 4.633 4.527 -0.000 0.000 0.365 405 F C 0.944 176.795 175.800 0.084 0.000 1.165 405 F CA -0.251 57.775 58.000 0.043 0.000 1.344 405 F CB -0.821 38.230 39.000 0.086 0.000 1.658 405 F HN 0.033 nan 8.300 nan 0.000 0.620 406 S N -2.717 113.074 115.700 0.153 0.000 2.727 406 S HA 0.310 4.780 4.470 -0.000 0.000 0.278 406 S C 0.615 175.306 174.600 0.153 0.000 1.186 406 S CA -0.580 57.722 58.200 0.170 0.000 0.836 406 S CB 1.239 64.527 63.200 0.146 0.000 1.186 406 S HN -0.061 nan 8.310 nan 0.000 0.499 407 T N 1.086 115.785 114.554 0.242 0.000 2.904 407 T HA 0.010 4.360 4.350 -0.000 0.000 0.267 407 T C 1.655 176.474 174.700 0.199 0.000 1.059 407 T CA 1.385 63.646 62.100 0.268 0.000 1.137 407 T CB -0.529 68.639 68.868 0.501 0.000 0.879 407 T HN 0.435 nan 8.240 nan 0.000 0.467 408 L N 1.444 122.786 121.223 0.199 0.000 2.027 408 L HA 0.150 4.490 4.340 -0.000 0.000 0.206 408 L C 2.604 179.454 176.870 -0.034 0.000 1.074 408 L CA 1.773 56.647 54.840 0.057 0.000 0.745 408 L CB -1.138 40.981 42.059 0.101 0.000 0.898 408 L HN 0.291 nan 8.230 nan 0.000 0.433 409 G N -1.193 107.585 108.800 -0.037 0.000 2.432 409 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 409 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 409 G C 1.812 176.624 174.900 -0.148 0.000 1.135 409 G CA 0.762 45.783 45.100 -0.131 0.000 0.767 409 G HN 0.384 nan 8.290 nan 0.000 0.550 410 R N -0.245 120.198 120.500 -0.095 0.000 2.148 410 R HA -0.037 4.302 4.340 -0.000 0.000 0.227 410 R C 2.329 178.574 176.300 -0.093 0.000 1.103 410 R CA 1.724 57.751 56.100 -0.121 0.000 0.983 410 R CB -0.184 30.019 30.300 -0.162 0.000 0.874 410 R HN 0.338 nan 8.270 nan 0.000 0.451 411 T N -0.268 114.263 114.554 -0.039 0.000 2.976 411 T HA 0.110 4.460 4.350 -0.000 0.000 0.257 411 T C 1.719 176.354 174.700 -0.108 0.000 1.051 411 T CA 0.834 62.938 62.100 0.005 0.000 1.141 411 T CB 0.058 68.951 68.868 0.041 0.000 0.881 411 T HN 0.363 nan 8.240 nan 0.000 0.461 412 A N 1.629 124.346 122.820 -0.170 0.000 1.897 412 A HA 0.307 4.627 4.320 -0.000 0.000 0.215 412 A C 2.622 180.061 177.584 -0.241 0.000 1.181 412 A CA 1.526 53.421 52.037 -0.238 0.000 0.620 412 A CB -1.055 17.805 19.000 -0.233 0.000 0.821 412 A HN 0.465 nan 8.150 nan 0.000 0.443 413 A N 0.035 122.724 122.820 -0.218 0.000 1.978 413 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 413 A C 2.210 179.670 177.584 -0.208 0.000 1.170 413 A CA 1.880 53.789 52.037 -0.213 0.000 0.636 413 A CB -0.505 18.367 19.000 -0.214 0.000 0.810 413 A HN 0.595 nan 8.150 nan 0.000 0.448 414 R N -0.591 119.772 120.500 -0.228 0.000 2.148 414 R HA -0.049 4.291 4.340 -0.000 0.000 0.227 414 R C 2.115 178.205 176.300 -0.349 0.000 1.103 414 R CA 1.386 57.268 56.100 -0.364 0.000 0.983 414 R CB -0.563 29.571 30.300 -0.276 0.000 0.874 414 R HN 0.421 nan 8.270 nan 0.000 0.451 415 G N 0.742 109.366 108.800 -0.293 0.000 2.403 415 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 415 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 415 G C 1.395 176.123 174.900 -0.287 0.000 1.154 415 G CA 0.541 45.368 45.100 -0.454 0.000 0.784 415 G HN 0.239 nan 8.290 nan 0.000 0.538 416 I N 0.419 120.858 120.570 -0.219 0.000 2.202 416 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 416 I C 2.840 178.951 176.117 -0.009 0.000 1.091 416 I CA 1.566 62.791 61.300 -0.126 0.000 1.368 416 I CB -0.240 37.675 38.000 -0.142 0.000 1.058 416 I HN 0.253 nan 8.210 nan 0.000 0.410 417 Q N 0.253 120.058 119.800 0.009 0.000 2.170 417 Q HA -0.279 4.061 4.340 -0.000 0.000 0.203 417 Q C 2.422 178.648 176.000 0.377 0.000 0.976 417 Q CA 2.009 57.926 55.803 0.191 0.000 0.858 417 Q CB -0.302 28.539 28.738 0.172 0.000 0.907 417 Q HN 0.640 nan 8.270 nan 0.000 0.433 418 C N -0.273 119.213 119.300 0.310 0.000 2.446 418 C HA 0.012 4.472 4.460 -0.000 0.000 0.279 418 C C 2.346 177.535 174.990 0.332 0.000 1.366 418 C CA 0.588 59.924 59.018 0.530 0.000 1.763 418 C CB -0.924 27.163 27.740 0.579 0.000 1.929 418 C HN 0.738 nan 8.230 nan 0.000 0.509 419 L N 1.469 122.799 121.223 0.178 0.000 2.249 419 L HA 0.099 4.439 4.340 -0.000 0.000 0.207 419 L C 2.715 179.658 176.870 0.122 0.000 1.090 419 L CA 2.590 57.498 54.840 0.114 0.000 0.802 419 L CB -0.844 41.220 42.059 0.008 0.000 0.947 419 L HN 0.540 nan 8.230 nan 0.000 0.453 420 T N -2.897 111.756 114.554 0.166 0.000 2.777 420 T HA -0.050 4.300 4.350 -0.000 0.000 0.266 420 T C 1.921 176.747 174.700 0.210 0.000 1.040 420 T CA 0.960 63.193 62.100 0.221 0.000 1.141 420 T CB -0.788 68.244 68.868 0.274 0.000 0.868 420 T HN 0.306 nan 8.240 nan 0.000 0.444 421 A N 2.243 125.195 122.820 0.220 0.000 1.858 421 A HA 0.294 4.613 4.320 -0.000 0.000 0.216 421 A C 2.896 180.450 177.584 -0.049 0.000 1.190 421 A CA 2.137 54.202 52.037 0.046 0.000 0.617 421 A CB -1.563 17.554 19.000 0.195 0.000 0.827 421 A HN 0.808 nan 8.150 nan 0.000 0.443 422 A N -0.884 122.004 122.820 0.114 0.000 1.948 422 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 422 A C 2.115 179.752 177.584 0.087 0.000 1.177 422 A CA 1.938 54.076 52.037 0.167 0.000 0.636 422 A CB -0.572 18.538 19.000 0.184 0.000 0.815 422 A HN 0.682 nan 8.150 nan 0.000 0.449 423 Q N -1.466 118.326 119.800 -0.013 0.000 2.083 423 Q HA -0.146 4.194 4.340 -0.000 0.000 0.198 423 Q C 2.020 177.854 176.000 -0.277 0.000 0.969 423 Q CA 1.411 57.173 55.803 -0.068 0.000 0.838 423 Q CB -0.085 28.631 28.738 -0.037 0.000 0.900 423 Q HN 0.631 nan 8.270 nan 0.000 0.436 424 E N 0.008 119.870 120.200 -0.564 0.000 2.347 424 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 424 E C 1.609 177.326 176.600 -1.472 0.000 1.008 424 E CA 0.287 55.979 56.400 -1.180 0.000 0.852 424 E CB 0.108 28.657 29.700 -1.918 0.000 0.783 424 E HN 0.089 nan 8.360 nan 0.000 0.505 425 V N 0.483 119.846 119.914 -0.918 0.000 2.469 425 V HA -0.253 3.867 4.120 -0.000 0.000 0.251 425 V C 2.207 177.963 176.094 -0.563 0.000 1.064 425 V CA 2.004 63.926 62.300 -0.630 0.000 1.066 425 V CB -0.430 31.182 31.823 -0.351 0.000 0.667 425 V HN 0.271 nan 8.190 nan 0.000 0.461 426 E N 0.063 119.991 120.200 -0.454 0.000 2.077 426 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 426 E C 2.101 178.544 176.600 -0.262 0.000 0.989 426 E CA 1.482 57.741 56.400 -0.235 0.000 0.800 426 E CB -0.302 29.369 29.700 -0.049 0.000 0.746 426 E HN 0.358 nan 8.360 nan 0.000 0.452 427 V N -0.102 119.554 119.914 -0.429 0.000 2.261 427 V HA -0.250 3.869 4.120 -0.000 0.000 0.246 427 V C 1.979 177.936 176.094 -0.229 0.000 1.047 427 V CA 1.933 64.005 62.300 -0.380 0.000 1.015 427 V CB -0.636 30.861 31.823 -0.543 0.000 0.642 427 V HN 0.463 nan 8.190 nan 0.000 0.446 428 W N -0.839 120.336 121.300 -0.207 0.000 2.374 428 W HA -0.097 4.563 4.660 -0.000 0.000 0.288 428 W C 2.229 178.625 176.519 -0.206 0.000 1.218 428 W CA 0.711 57.931 57.345 -0.207 0.000 1.245 428 W CB -1.334 27.972 29.460 -0.257 0.000 1.126 428 W HN 0.264 nan 8.180 nan 0.000 0.545 429 L N 1.143 122.358 121.223 -0.013 0.000 1.994 429 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 429 L C 1.929 178.781 176.870 -0.030 0.000 1.071 429 L CA 2.199 56.999 54.840 -0.066 0.000 0.745 429 L CB -1.163 40.849 42.059 -0.079 0.000 0.892 429 L HN -0.253 nan 8.230 nan 0.000 0.431 430 D N -0.318 120.065 120.400 -0.029 0.000 2.106 430 D HA -0.232 4.408 4.640 -0.000 0.000 0.191 430 D C 2.252 178.549 176.300 -0.005 0.000 0.997 430 D CA 1.523 55.514 54.000 -0.014 0.000 0.834 430 D CB -0.053 40.729 40.800 -0.029 0.000 0.956 430 D HN 0.286 nan 8.370 nan 0.000 0.448 431 K N -0.264 120.137 120.400 0.001 0.000 2.002 431 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 431 K C 2.128 178.729 176.600 0.001 0.000 1.048 431 K CA 0.506 56.800 56.287 0.011 0.000 0.930 431 K CB -0.353 32.168 32.500 0.036 0.000 0.714 431 K HN 0.008 nan 8.250 nan 0.000 0.438 432 L N 1.911 123.124 121.223 -0.016 0.000 2.021 432 L HA -0.263 4.077 4.340 -0.000 0.000 0.215 432 L C 2.169 179.032 176.870 -0.011 0.000 1.074 432 L CA 1.910 56.726 54.840 -0.040 0.000 0.760 432 L CB -0.359 41.635 42.059 -0.108 0.000 0.889 432 L HN 0.244 nan 8.230 nan 0.000 0.433 433 E N -0.996 119.203 120.200 -0.002 0.000 2.110 433 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 433 E C 2.041 178.651 176.600 0.017 0.000 0.988 433 E CA 1.039 57.448 56.400 0.015 0.000 0.804 433 E CB -0.110 29.603 29.700 0.021 0.000 0.745 433 E HN 0.668 nan 8.360 nan 0.000 0.458 434 A N 1.069 123.896 122.820 0.013 0.000 1.929 434 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 434 A C 1.842 179.436 177.584 0.016 0.000 1.176 434 A CA 1.170 53.216 52.037 0.014 0.000 0.628 434 A CB -0.356 18.651 19.000 0.011 0.000 0.816 434 A HN 0.183 nan 8.150 nan 0.000 0.444 435 N N 0.106 118.815 118.700 0.014 0.000 2.142 435 N HA -0.099 4.641 4.740 -0.000 0.000 0.186 435 N C 1.580 177.105 175.510 0.024 0.000 1.023 435 N CA 1.491 54.551 53.050 0.017 0.000 0.852 435 N CB -0.432 38.063 38.487 0.013 0.000 0.998 435 N HN 0.230 nan 8.380 nan 0.000 0.424 436 V N 0.908 120.838 119.914 0.026 0.000 2.548 436 V HA -0.137 3.983 4.120 -0.000 0.000 0.249 436 V C 2.062 178.176 176.094 0.032 0.000 1.055 436 V CA 1.307 63.628 62.300 0.036 0.000 1.065 436 V CB -0.292 31.557 31.823 0.043 0.000 0.681 436 V HN 0.236 nan 8.190 nan 0.000 0.462 437 K N 0.534 120.950 120.400 0.027 0.000 2.097 437 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 437 K C 2.008 178.621 176.600 0.021 0.000 1.049 437 K CA 1.438 57.739 56.287 0.024 0.000 0.933 437 K CB -0.385 32.127 32.500 0.021 0.000 0.717 437 K HN 0.462 nan 8.250 nan 0.000 0.442 438 A N -0.131 122.702 122.820 0.021 0.000 2.239 438 A HA 0.147 4.467 4.320 -0.000 0.000 0.209 438 A C 1.452 179.048 177.584 0.021 0.000 1.171 438 A CA 0.998 53.047 52.037 0.019 0.000 0.768 438 A CB -0.615 18.395 19.000 0.018 0.000 0.790 438 A HN 0.452 nan 8.150 nan 0.000 0.478 439 G N -0.461 108.354 108.800 0.025 0.000 2.205 439 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.261 439 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.261 439 G C 0.236 175.157 174.900 0.034 0.000 0.980 439 G CA 0.395 45.511 45.100 0.028 0.000 0.632 439 G HN 0.616 nan 8.290 nan 0.000 0.533 440 K N 1.533 121.954 120.400 0.034 0.000 2.228 440 K HA 0.328 4.648 4.320 -0.000 0.000 0.284 440 K C 0.097 176.729 176.600 0.053 0.000 1.088 440 K CA 0.434 56.745 56.287 0.040 0.000 0.941 440 K CB 0.514 33.032 32.500 0.031 0.000 1.158 440 K HN 0.455 nan 8.250 nan 0.000 0.438 441 D N 1.143 121.587 120.400 0.074 0.000 2.538 441 D HA 0.040 4.680 4.640 -0.000 0.000 0.231 441 D C -0.613 175.791 176.300 0.173 0.000 1.229 441 D CA -0.361 53.708 54.000 0.115 0.000 0.828 441 D CB 0.229 41.098 40.800 0.115 0.000 1.035 441 D HN 0.147 nan 8.370 nan 0.000 0.495 442 D N 0.604 121.089 120.400 0.142 0.000 2.302 442 D HA 0.286 4.926 4.640 -0.000 0.000 0.248 442 D C 1.091 177.476 176.300 0.141 0.000 1.094 442 D CA -0.316 53.795 54.000 0.186 0.000 0.897 442 D CB 2.182 43.060 40.800 0.129 0.000 1.200 442 D HN 0.079 nan 8.370 nan 0.000 0.429 443 L N 0.908 122.227 121.223 0.159 0.000 2.993 443 L HA 0.229 4.569 4.340 -0.000 0.000 0.264 443 L C -0.521 176.428 176.870 0.131 0.000 1.154 443 L CA -0.223 54.636 54.840 0.032 0.000 0.972 443 L CB 0.523 42.441 42.059 -0.234 0.000 1.373 443 L HN 0.357 nan 8.230 nan 0.000 0.564 444 Y N 0.345 120.681 120.300 0.060 0.000 2.492 444 Y HA 0.502 5.052 4.550 -0.000 0.000 0.346 444 Y C -0.788 175.167 175.900 0.093 0.000 0.997 444 Y CA -0.698 57.446 58.100 0.073 0.000 1.025 444 Y CB 2.021 40.555 38.460 0.122 0.000 1.263 444 Y HN -0.236 nan 8.280 nan 0.000 0.454 445 T N 5.200 119.439 114.554 -0.525 0.000 2.824 445 T HA 0.264 4.614 4.350 -0.000 0.000 0.282 445 T C -1.150 173.292 174.700 -0.430 0.000 0.993 445 T CA -0.878 61.026 62.100 -0.327 0.000 0.967 445 T CB 0.965 69.741 68.868 -0.155 0.000 0.960 445 T HN 0.484 nan 8.240 nan 0.000 0.441 446 D N 2.930 123.243 120.400 -0.145 0.000 2.382 446 D HA 0.229 4.869 4.640 -0.000 0.000 0.240 446 D C -0.046 176.283 176.300 0.048 0.000 1.146 446 D CA 0.220 54.193 54.000 -0.045 0.000 0.897 446 D CB 0.811 41.610 40.800 -0.001 0.000 1.197 446 D HN 0.585 nan 8.370 nan 0.000 0.432 447 W N -0.367 120.861 121.300 -0.121 0.000 3.005 447 W HA 0.429 5.089 4.660 -0.000 0.000 0.343 447 W C -1.348 175.095 176.519 -0.126 0.000 1.243 447 W CA -0.738 56.529 57.345 -0.130 0.000 1.186 447 W CB 1.101 30.458 29.460 -0.172 0.000 1.453 447 W HN 0.126 nan 8.180 nan 0.000 0.575 448 Q N 0.540 120.396 119.800 0.093 0.000 2.456 448 Q HA 0.326 4.666 4.340 -0.000 0.000 0.284 448 Q C -1.694 174.396 176.000 0.149 0.000 1.061 448 Q CA -0.954 54.795 55.803 -0.090 0.000 0.799 448 Q CB 3.246 31.952 28.738 -0.053 0.000 1.445 448 Q HN 0.467 nan 8.270 nan 0.000 0.411 449 Y N 1.282 121.702 120.300 0.199 0.000 2.319 449 Y HA 0.266 4.816 4.550 -0.000 0.000 0.328 449 Y C -1.534 174.443 175.900 0.129 0.000 1.133 449 Y CA -1.406 56.836 58.100 0.236 0.000 1.265 449 Y CB 0.063 38.638 38.460 0.190 0.000 1.218 449 Y HN 0.326 nan 8.280 nan 0.000 0.508 450 P HA 0.086 nan 4.420 nan 0.000 0.273 450 P C 0.721 178.106 177.300 0.142 0.000 1.250 450 P CA -0.105 63.094 63.100 0.164 0.000 0.793 450 P CB 0.671 32.444 31.700 0.122 0.000 1.011 451 T N -1.034 113.569 114.554 0.082 0.000 2.652 451 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 451 T C 0.427 175.142 174.700 0.026 0.000 1.039 451 T CA 1.475 63.603 62.100 0.046 0.000 1.153 451 T CB -0.243 68.642 68.868 0.029 0.000 0.863 451 T HN 0.485 nan 8.240 nan 0.000 0.428 452 E N 0.323 120.538 120.200 0.024 0.000 2.275 452 E HA 0.499 4.849 4.350 -0.000 0.000 0.270 452 E C -1.230 175.379 176.600 0.015 0.000 0.882 452 E CA -0.474 55.930 56.400 0.007 0.000 0.758 452 E CB 2.113 31.809 29.700 -0.007 0.000 1.195 452 E HN 0.352 nan 8.360 nan 0.000 0.419 453 S N 2.146 117.854 115.700 0.013 0.000 2.615 453 S HA 0.516 4.985 4.470 -0.000 0.000 0.269 453 S C -1.327 173.260 174.600 -0.021 0.000 1.161 453 S CA -1.077 57.128 58.200 0.008 0.000 0.817 453 S CB 1.927 65.159 63.200 0.054 0.000 1.131 453 S HN 0.501 nan 8.310 nan 0.000 0.467 454 Q N 0.057 119.825 119.800 -0.053 0.000 2.389 454 Q HA 0.792 5.132 4.340 -0.000 0.000 0.277 454 Q C -0.670 175.346 176.000 0.026 0.000 1.082 454 Q CA -1.210 54.541 55.803 -0.087 0.000 0.810 454 Q CB 1.937 30.433 28.738 -0.404 0.000 1.374 454 Q HN 1.216 nan 8.270 nan 0.000 0.422 455 G N 0.352 109.253 108.800 0.168 0.000 2.704 455 G HA2 0.563 4.523 3.960 -0.000 0.000 0.293 455 G HA3 0.563 4.523 3.960 -0.000 0.000 0.293 455 G C -1.930 172.946 174.900 -0.040 0.000 1.421 455 G CA -0.486 44.653 45.100 0.065 0.000 0.870 455 G HN 0.662 nan 8.290 nan 0.000 0.492 456 V N -0.111 119.617 119.914 -0.310 0.000 2.789 456 V HA 0.924 5.044 4.120 -0.000 0.000 0.311 456 V C 0.003 175.571 176.094 -0.878 0.000 1.073 456 V CA 0.057 61.847 62.300 -0.851 0.000 0.921 456 V CB 2.036 32.967 31.823 -1.487 0.000 1.009 456 V HN 1.444 nan 8.190 nan 0.000 0.426 457 G N 5.032 113.259 108.800 -0.956 0.000 2.487 457 G HA2 0.653 4.613 3.960 -0.000 0.000 0.314 457 G HA3 0.653 4.613 3.960 -0.000 0.000 0.314 457 G C -1.467 172.918 174.900 -0.859 0.000 1.267 457 G CA -0.333 44.332 45.100 -0.725 0.000 0.937 457 G HN 0.476 nan 8.290 nan 0.000 0.481 458 F N 2.172 121.931 119.950 -0.319 0.000 2.426 458 F HA 0.557 5.084 4.527 -0.000 0.000 0.348 458 F C 0.150 175.790 175.800 -0.266 0.000 1.124 458 F CA -0.836 57.012 58.000 -0.253 0.000 1.008 458 F CB 2.338 41.237 39.000 -0.169 0.000 1.139 458 F HN 0.193 nan 8.300 nan 0.000 0.452 459 V N 3.341 123.205 119.914 -0.084 0.000 2.735 459 V HA 0.356 4.476 4.120 -0.000 0.000 0.310 459 V C -0.482 175.532 176.094 -0.134 0.000 1.061 459 V CA -1.096 61.099 62.300 -0.176 0.000 0.913 459 V CB 2.257 33.911 31.823 -0.282 0.000 1.005 459 V HN 0.694 nan 8.190 nan 0.000 0.428 460 N N 2.744 121.357 118.700 -0.146 0.000 2.699 460 N HA 0.465 5.205 4.740 -0.000 0.000 0.232 460 N C -0.057 175.443 175.510 -0.017 0.000 1.027 460 N CA -0.149 52.844 53.050 -0.094 0.000 0.920 460 N CB 1.405 39.835 38.487 -0.095 0.000 1.148 460 N HN 0.884 nan 8.380 nan 0.000 0.509 461 A N 3.781 126.564 122.820 -0.062 0.000 2.327 461 A HA 0.297 4.616 4.320 -0.000 0.000 0.255 461 A C -1.272 176.206 177.584 -0.177 0.000 1.099 461 A CA -0.956 51.039 52.037 -0.069 0.000 0.801 461 A CB -0.040 18.904 19.000 -0.094 0.000 1.062 461 A HN 0.443 nan 8.150 nan 0.000 0.496 462 P HA -0.147 nan 4.420 nan 0.000 0.218 462 P C 0.797 178.011 177.300 -0.143 0.000 1.146 462 P CA 1.451 64.258 63.100 -0.488 0.000 0.820 462 P CB 0.064 31.489 31.700 -0.459 0.000 0.778 463 R N -1.598 118.867 120.500 -0.060 0.000 2.359 463 R HA 0.432 4.772 4.340 -0.000 0.000 0.231 463 R C 1.036 177.354 176.300 0.030 0.000 0.913 463 R CA 0.352 56.461 56.100 0.014 0.000 1.075 463 R CB 0.262 30.600 30.300 0.062 0.000 1.087 463 R HN 0.189 nan 8.270 nan 0.000 0.515 464 G N 0.770 109.561 108.800 -0.016 0.000 2.306 464 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.262 464 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.262 464 G C -0.932 173.933 174.900 -0.057 0.000 1.263 464 G CA -0.850 44.227 45.100 -0.037 0.000 1.088 464 G HN 0.031 nan 8.290 nan 0.000 0.489 465 M N 0.995 120.524 119.600 -0.118 0.000 2.435 465 M HA 0.423 4.903 4.480 -0.000 0.000 0.338 465 M C -0.579 175.761 176.300 0.066 0.000 1.628 465 M CA -0.186 55.040 55.300 -0.124 0.000 1.215 465 M CB -0.161 32.227 32.600 -0.354 0.000 1.905 465 M HN 0.655 nan 8.290 nan 0.000 0.457 466 L N 6.422 127.678 121.223 0.053 0.000 2.329 466 L HA 0.629 4.969 4.340 -0.000 0.000 0.279 466 L C -0.831 176.100 176.870 0.102 0.000 1.014 466 L CA 0.077 54.978 54.840 0.100 0.000 0.814 466 L CB 1.928 43.947 42.059 -0.067 0.000 1.257 466 L HN 0.693 nan 8.230 nan 0.000 0.424 467 S N 2.408 118.225 115.700 0.196 0.000 2.614 467 S HA 0.562 5.032 4.470 -0.000 0.000 0.275 467 S C -1.035 173.637 174.600 0.119 0.000 1.161 467 S CA -0.721 57.465 58.200 -0.024 0.000 0.969 467 S CB 0.695 63.938 63.200 0.073 0.000 1.059 467 S HN 0.770 nan 8.310 nan 0.000 0.482 468 H N 1.336 120.180 119.070 -0.376 0.000 2.476 468 H HA 0.410 4.966 4.556 -0.000 0.000 0.328 468 H C -1.382 173.590 175.328 -0.594 0.000 1.073 468 H CA -0.642 55.264 56.048 -0.238 0.000 1.229 468 H CB 1.028 30.756 29.762 -0.055 0.000 1.432 468 H HN 0.595 nan 8.280 nan 0.000 0.477 469 W N 4.573 125.584 121.300 -0.482 0.000 2.532 469 W HA 0.496 5.156 4.660 -0.000 0.000 0.321 469 W C -0.427 175.715 176.519 -0.627 0.000 1.037 469 W CA -0.568 56.461 57.345 -0.526 0.000 1.220 469 W CB 1.008 30.139 29.460 -0.547 0.000 1.361 469 W HN 0.338 nan 8.180 nan 0.000 0.468 470 I N 2.892 123.346 120.570 -0.193 0.000 2.689 470 I HA 0.699 4.869 4.170 -0.000 0.000 0.299 470 I C -1.338 174.839 176.117 0.100 0.000 1.059 470 I CA -1.273 59.906 61.300 -0.202 0.000 1.055 470 I CB 1.926 39.749 38.000 -0.294 0.000 1.243 470 I HN 0.106 nan 8.210 nan 0.000 0.425 471 V N 6.173 126.131 119.914 0.073 0.000 2.447 471 V HA 0.345 4.465 4.120 -0.000 0.000 0.292 471 V C -0.771 175.344 176.094 0.035 0.000 1.021 471 V CA -0.529 61.799 62.300 0.048 0.000 0.850 471 V CB 1.500 33.350 31.823 0.046 0.000 1.005 471 V HN 0.791 nan 8.190 nan 0.000 0.426 472 Q N 4.269 124.081 119.800 0.022 0.000 2.348 472 Q HA 0.850 5.190 4.340 -0.000 0.000 0.271 472 Q C -0.739 175.247 176.000 -0.023 0.000 1.067 472 Q CA -0.799 55.005 55.803 0.002 0.000 0.839 472 Q CB 2.424 31.171 28.738 0.014 0.000 1.354 472 Q HN 0.449 nan 8.270 nan 0.000 0.447 473 R N 0.954 121.422 120.500 -0.054 0.000 2.531 473 R HA 0.484 4.824 4.340 -0.000 0.000 0.293 473 R C -0.271 175.975 176.300 -0.090 0.000 1.124 473 R CA 0.150 56.219 56.100 -0.052 0.000 0.945 473 R CB 0.832 31.112 30.300 -0.034 0.000 1.195 473 R HN 1.234 nan 8.270 nan 0.000 0.433 474 G N 1.754 110.492 108.800 -0.104 0.000 2.147 474 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 474 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 474 G C 0.780 175.520 174.900 -0.267 0.000 1.005 474 G CA 0.648 45.674 45.100 -0.124 0.000 0.713 474 G HN 1.612 nan 8.290 nan 0.000 0.515 475 G N -1.738 106.720 108.800 -0.569 0.000 2.176 475 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.252 475 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.252 475 G C 0.057 174.698 174.900 -0.432 0.000 1.024 475 G CA 1.200 45.636 45.100 -1.107 0.000 0.755 475 G HN 1.176 nan 8.290 nan 0.000 0.507 476 K N -0.340 119.912 120.400 -0.247 0.000 2.427 476 K HA 0.671 4.991 4.320 -0.000 0.000 0.252 476 K C 0.380 176.945 176.600 -0.057 0.000 0.931 476 K CA -0.941 55.283 56.287 -0.106 0.000 0.793 476 K CB 1.366 33.822 32.500 -0.072 0.000 1.211 476 K HN 0.181 nan 8.250 nan 0.000 0.426 477 I N 3.473 124.038 120.570 -0.008 0.000 2.471 477 I HA 0.022 4.192 4.170 -0.000 0.000 0.286 477 I C 1.135 177.267 176.117 0.026 0.000 1.079 477 I CA 0.101 61.427 61.300 0.044 0.000 1.398 477 I CB 0.839 38.892 38.000 0.089 0.000 1.403 477 I HN 0.529 nan 8.210 nan 0.000 0.530 478 E N 3.767 123.986 120.200 0.031 0.000 2.162 478 E HA 0.105 4.455 4.350 -0.000 0.000 0.193 478 E C 0.015 176.638 176.600 0.037 0.000 0.953 478 E CA 0.694 57.105 56.400 0.019 0.000 0.849 478 E CB 0.188 29.893 29.700 0.008 0.000 0.810 478 E HN 0.512 nan 8.360 nan 0.000 0.470 479 N N -0.731 118.008 118.700 0.066 0.000 2.371 479 N HA 0.229 4.969 4.740 -0.000 0.000 0.280 479 N C -2.096 173.495 175.510 0.134 0.000 1.084 479 N CA -0.479 52.621 53.050 0.084 0.000 0.892 479 N CB 1.218 39.740 38.487 0.059 0.000 1.653 479 N HN -0.144 nan 8.380 nan 0.000 0.480 480 F N 2.474 122.437 119.950 0.021 0.000 2.745 480 F HA 0.415 4.942 4.527 0.000 0.000 0.343 480 F C -0.982 174.810 175.800 -0.012 0.000 1.196 480 F CA -0.398 57.609 58.000 0.011 0.000 1.021 480 F CB 1.101 40.081 39.000 -0.034 0.000 1.297 480 F HN 0.236 nan 8.300 nan 0.000 0.486 481 Q N 6.578 126.433 119.800 0.091 0.000 2.333 481 Q HA 0.586 4.925 4.340 -0.000 0.000 0.267 481 Q C -1.045 175.016 176.000 0.103 0.000 1.012 481 Q CA -0.739 55.106 55.803 0.071 0.000 0.824 481 Q CB 3.037 31.730 28.738 -0.075 0.000 1.290 481 Q HN 0.659 nan 8.270 nan 0.000 0.449 482 L N 0.733 121.966 121.223 0.015 0.000 2.322 482 L HA 0.714 5.054 4.340 -0.000 0.000 0.281 482 L C -0.248 176.658 176.870 0.061 0.000 1.014 482 L CA -1.240 53.546 54.840 -0.089 0.000 0.815 482 L CB 1.405 43.152 42.059 -0.520 0.000 1.247 482 L HN 0.137 nan 8.230 nan 0.000 0.421 483 V N 3.824 123.885 119.914 0.246 0.000 2.380 483 V HA 0.360 4.480 4.120 -0.000 0.000 0.286 483 V C 0.169 176.486 176.094 0.372 0.000 1.015 483 V CA -0.531 61.933 62.300 0.275 0.000 0.834 483 V CB 1.884 33.861 31.823 0.257 0.000 1.009 483 V HN 0.547 nan 8.190 nan 0.000 0.428 484 V N 6.899 127.033 119.914 0.368 0.000 2.716 484 V HA 0.367 4.487 4.120 -0.000 0.000 0.304 484 V C -1.025 175.334 176.094 0.442 0.000 1.053 484 V CA -1.572 60.962 62.300 0.390 0.000 0.984 484 V CB 1.856 33.928 31.823 0.415 0.000 1.021 484 V HN 0.578 nan 8.190 nan 0.000 0.467 485 P HA -0.134 nan 4.420 nan 0.000 0.215 485 P C 1.494 179.010 177.300 0.360 0.000 1.157 485 P CA 1.495 64.817 63.100 0.370 0.000 0.874 485 P CB 0.189 32.002 31.700 0.189 0.000 0.790 486 S N -0.819 115.048 115.700 0.278 0.000 2.507 486 S HA -0.066 4.404 4.470 -0.000 0.000 0.235 486 S C 1.765 176.493 174.600 0.213 0.000 0.988 486 S CA 1.525 59.862 58.200 0.229 0.000 0.944 486 S CB -1.095 62.223 63.200 0.197 0.000 0.762 486 S HN 0.353 nan 8.310 nan 0.000 0.526 487 T N 0.395 115.088 114.554 0.232 0.000 2.857 487 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 487 T C 1.291 176.030 174.700 0.066 0.000 1.048 487 T CA 0.730 62.900 62.100 0.118 0.000 1.139 487 T CB -0.252 68.670 68.868 0.089 0.000 0.874 487 T HN 0.517 nan 8.240 nan 0.000 0.455 488 W N 2.300 123.671 121.300 0.119 0.000 2.352 488 W HA -0.033 4.627 4.660 -0.000 0.000 0.322 488 W C 2.487 179.045 176.519 0.065 0.000 1.208 488 W CA 0.588 57.998 57.345 0.108 0.000 1.286 488 W CB -0.609 28.924 29.460 0.122 0.000 1.167 488 W HN 0.127 nan 8.180 nan 0.000 0.469 489 N N 0.174 119.058 118.700 0.307 0.000 2.069 489 N HA -0.126 4.614 4.740 -0.000 0.000 0.191 489 N C 1.396 176.861 175.510 -0.075 0.000 1.031 489 N CA 1.457 54.561 53.050 0.090 0.000 0.852 489 N CB -0.870 37.694 38.487 0.129 0.000 1.018 489 N HN 0.157 nan 8.380 nan 0.000 0.423 490 L N 0.040 121.260 121.223 -0.005 0.000 2.769 490 L HA 0.334 4.674 4.340 -0.000 0.000 0.240 490 L C 1.170 178.049 176.870 0.016 0.000 1.163 490 L CA -0.379 54.450 54.840 -0.019 0.000 0.962 490 L CB 0.423 42.495 42.059 0.022 0.000 1.258 490 L HN -0.024 nan 8.230 nan 0.000 0.513 491 G N 0.382 109.190 108.800 0.012 0.000 2.599 491 G HA2 0.383 4.343 3.960 -0.000 0.000 0.264 491 G HA3 0.383 4.343 3.960 -0.000 0.000 0.264 491 G C -2.391 172.484 174.900 -0.041 0.000 1.200 491 G CA -0.767 44.322 45.100 -0.019 0.000 0.896 491 G HN -0.128 nan 8.290 nan 0.000 0.536 492 P HA 0.231 nan 4.420 nan 0.000 0.302 492 P C -0.126 177.119 177.300 -0.091 0.000 1.301 492 P CA -0.608 62.353 63.100 -0.231 0.000 0.745 492 P CB 0.903 32.099 31.700 -0.840 0.000 1.331 493 R N -1.145 119.321 120.500 -0.058 0.000 2.637 493 R HA 0.262 4.602 4.340 -0.000 0.000 0.269 493 R C 0.550 176.885 176.300 0.058 0.000 1.089 493 R CA -0.247 55.819 56.100 -0.058 0.000 1.177 493 R CB -0.280 29.880 30.300 -0.234 0.000 1.091 493 R HN 0.619 nan 8.270 nan 0.000 0.540 494 C N -1.141 118.150 119.300 -0.014 0.000 2.534 494 C HA 0.674 5.134 4.460 -0.000 0.000 0.398 494 C C 1.888 176.910 174.990 0.054 0.000 1.609 494 C CA -0.249 58.670 59.018 -0.164 0.000 1.916 494 C CB 0.381 27.745 27.740 -0.627 0.000 1.954 494 C HN 0.857 nan 8.230 nan 0.000 0.508 495 A N -0.564 122.218 122.820 -0.063 0.000 1.969 495 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 495 A C 1.843 179.473 177.584 0.076 0.000 1.169 495 A CA 1.811 53.899 52.037 0.084 0.000 0.635 495 A CB -0.832 18.287 19.000 0.198 0.000 0.810 495 A HN 0.944 nan 8.150 nan 0.000 0.445 496 E N -1.005 119.188 120.200 -0.010 0.000 2.463 496 E HA 0.289 4.638 4.350 -0.000 0.000 0.191 496 E C 1.080 177.698 176.600 0.031 0.000 1.083 496 E CA 0.575 56.984 56.400 0.016 0.000 0.872 496 E CB -0.416 29.277 29.700 -0.011 0.000 0.966 496 E HN 0.666 nan 8.360 nan 0.000 0.491 497 G N 1.577 110.427 108.800 0.083 0.000 2.203 497 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.263 497 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.263 497 G C -0.161 174.709 174.900 -0.050 0.000 1.012 497 G CA 0.522 45.645 45.100 0.039 0.000 0.749 497 G HN 0.230 nan 8.290 nan 0.000 0.512 498 K N -0.461 119.907 120.400 -0.053 0.000 2.218 498 K HA 0.518 4.838 4.320 -0.000 0.000 0.276 498 K C 0.301 176.854 176.600 -0.079 0.000 1.022 498 K CA -0.826 55.425 56.287 -0.061 0.000 0.946 498 K CB 1.447 33.926 32.500 -0.035 0.000 1.000 498 K HN 0.067 nan 8.250 nan 0.000 0.468 499 L N 2.208 123.376 121.223 -0.092 0.000 2.380 499 L HA -0.000 4.340 4.340 -0.000 0.000 0.273 499 L C 0.792 177.623 176.870 -0.065 0.000 1.138 499 L CA 0.542 55.318 54.840 -0.106 0.000 0.832 499 L CB 0.990 42.966 42.059 -0.138 0.000 1.124 499 L HN 0.792 nan 8.230 nan 0.000 0.454 500 S N 2.468 118.136 115.700 -0.054 0.000 2.608 500 S HA 0.360 4.830 4.470 -0.000 0.000 0.261 500 S C 1.344 175.914 174.600 -0.051 0.000 1.314 500 S CA -0.166 58.019 58.200 -0.026 0.000 0.992 500 S CB 0.902 64.088 63.200 -0.024 0.000 0.935 500 S HN 0.732 nan 8.310 nan 0.000 0.564 501 A N 0.682 123.480 122.820 -0.038 0.000 1.940 501 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 501 A C 2.231 179.713 177.584 -0.170 0.000 1.176 501 A CA 1.765 53.772 52.037 -0.049 0.000 0.631 501 A CB -1.273 17.758 19.000 0.053 0.000 0.814 501 A HN 0.991 nan 8.150 nan 0.000 0.446 502 V N -0.104 119.588 119.914 -0.371 0.000 2.323 502 V HA -0.223 3.897 4.120 -0.000 0.000 0.244 502 V C 2.265 178.282 176.094 -0.129 0.000 1.041 502 V CA 2.587 64.647 62.300 -0.400 0.000 1.025 502 V CB -0.557 31.009 31.823 -0.429 0.000 0.656 502 V HN 0.732 nan 8.190 nan 0.000 0.451 503 E N -0.511 119.620 120.200 -0.115 0.000 2.058 503 E HA -0.328 4.021 4.350 -0.000 0.000 0.194 503 E C 2.220 178.761 176.600 -0.099 0.000 0.997 503 E CA 1.778 58.108 56.400 -0.117 0.000 0.801 503 E CB -0.197 29.409 29.700 -0.157 0.000 0.746 503 E HN 0.564 nan 8.360 nan 0.000 0.450 504 Q N 0.594 120.348 119.800 -0.075 0.000 2.119 504 Q HA -0.061 4.279 4.340 -0.000 0.000 0.201 504 Q C 1.893 177.902 176.000 0.016 0.000 0.972 504 Q CA 1.662 57.439 55.803 -0.045 0.000 0.847 504 Q CB -0.308 28.404 28.738 -0.043 0.000 0.903 504 Q HN 0.256 nan 8.270 nan 0.000 0.433 505 A N -0.060 122.805 122.820 0.074 0.000 2.019 505 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 505 A C 2.029 179.691 177.584 0.131 0.000 1.164 505 A CA 1.070 53.206 52.037 0.165 0.000 0.644 505 A CB -0.587 18.615 19.000 0.336 0.000 0.805 505 A HN 0.455 nan 8.150 nan 0.000 0.449 506 L N -0.624 120.645 121.223 0.076 0.000 2.072 506 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 506 L C 0.206 177.095 176.870 0.033 0.000 1.079 506 L CA 0.047 54.927 54.840 0.066 0.000 0.752 506 L CB -0.474 41.602 42.059 0.028 0.000 0.906 506 L HN 0.229 nan 8.230 nan 0.000 0.436 507 I N 0.673 121.238 120.570 -0.009 0.000 2.821 507 I HA -0.008 4.162 4.170 -0.000 0.000 0.294 507 I C 1.365 177.478 176.117 -0.007 0.000 1.210 507 I CA 1.312 62.594 61.300 -0.029 0.000 1.430 507 I CB 0.030 37.996 38.000 -0.056 0.000 1.356 507 I HN 0.351 nan 8.210 nan 0.000 0.563 508 G N 3.603 112.396 108.800 -0.012 0.000 2.268 508 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.240 508 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.240 508 G C 0.581 175.469 174.900 -0.021 0.000 1.010 508 G CA 0.119 45.209 45.100 -0.016 0.000 0.618 508 G HN 0.680 nan 8.290 nan 0.000 0.516 509 T N 4.693 119.248 114.554 0.001 0.000 2.908 509 T HA 0.436 4.786 4.350 -0.000 0.000 0.301 509 T C -1.911 172.789 174.700 0.000 0.000 1.019 509 T CA 0.472 62.571 62.100 -0.001 0.000 1.152 509 T CB 1.586 70.511 68.868 0.094 0.000 0.966 509 T HN 0.393 nan 8.240 nan 0.000 0.540 510 P HA 0.381 nan 4.420 nan 0.000 0.285 510 P C -0.806 176.529 177.300 0.058 0.000 1.259 510 P CA -0.510 62.588 63.100 -0.003 0.000 0.794 510 P CB 0.798 32.472 31.700 -0.044 0.000 0.940 511 I N 2.423 123.032 120.570 0.064 0.000 2.382 511 I HA 0.254 4.423 4.170 -0.000 0.000 0.285 511 I C 1.366 177.530 176.117 0.079 0.000 1.007 511 I CA -0.852 60.501 61.300 0.088 0.000 1.142 511 I CB 1.270 39.310 38.000 0.068 0.000 1.289 511 I HN 0.350 nan 8.210 nan 0.000 0.453 512 A N 5.076 127.966 122.820 0.117 0.000 1.825 512 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 512 A C 0.744 178.341 177.584 0.021 0.000 1.206 512 A CA 1.416 53.505 52.037 0.088 0.000 0.609 512 A CB -0.143 18.949 19.000 0.153 0.000 0.851 512 A HN 0.710 nan 8.150 nan 0.000 0.445 513 D N -1.529 118.871 120.400 0.000 0.000 2.441 513 D HA 0.454 5.094 4.640 -0.000 0.000 0.231 513 D C -2.313 173.977 176.300 -0.016 0.000 1.073 513 D CA -2.256 51.710 54.000 -0.057 0.000 0.850 513 D CB 1.501 42.190 40.800 -0.185 0.000 1.062 513 D HN -0.063 nan 8.370 nan 0.000 0.524 514 P HA -0.040 nan 4.420 nan 0.000 0.226 514 P C 0.681 177.965 177.300 -0.028 0.000 1.153 514 P CA 0.687 63.783 63.100 -0.006 0.000 0.777 514 P CB 0.456 32.160 31.700 0.007 0.000 0.794 515 K N -0.820 119.554 120.400 -0.044 0.000 2.418 515 K HA 0.094 4.414 4.320 -0.000 0.000 0.195 515 K C 0.540 177.066 176.600 -0.123 0.000 1.035 515 K CA 0.558 56.818 56.287 -0.046 0.000 1.003 515 K CB 0.164 32.647 32.500 -0.028 0.000 0.793 515 K HN 0.093 nan 8.250 nan 0.000 0.494 516 R N 0.600 120.965 120.500 -0.226 0.000 2.754 516 R HA 0.144 4.483 4.340 -0.000 0.000 0.255 516 R C -2.642 173.340 176.300 -0.529 0.000 1.723 516 R CA -0.968 54.737 56.100 -0.659 0.000 1.596 516 R CB 1.397 31.525 30.300 -0.286 0.000 1.424 516 R HN -0.091 nan 8.270 nan 0.000 0.662 517 P HA 0.046 nan 4.420 nan 0.000 0.219 517 P C 0.696 177.981 177.300 -0.025 0.000 1.847 517 P CA -0.085 62.947 63.100 -0.114 0.000 1.059 517 P CB 1.115 32.806 31.700 -0.016 0.000 1.900 518 V N 2.787 122.671 119.914 -0.051 0.000 2.759 518 V HA -0.209 3.910 4.120 -0.000 0.000 0.256 518 V C 1.817 177.880 176.094 -0.051 0.000 1.080 518 V CA 1.940 64.264 62.300 0.040 0.000 1.101 518 V CB -0.676 31.107 31.823 -0.068 0.000 0.698 518 V HN 0.221 nan 8.190 nan 0.000 0.477 519 E N 0.170 120.396 120.200 0.043 0.000 2.204 519 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 519 E C 1.910 178.626 176.600 0.193 0.000 0.989 519 E CA 1.404 57.922 56.400 0.197 0.000 0.824 519 E CB -0.227 29.708 29.700 0.391 0.000 0.756 519 E HN 0.636 nan 8.360 nan 0.000 0.477 520 I N -0.009 120.641 120.570 0.134 0.000 2.353 520 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 520 I C 1.644 177.814 176.117 0.088 0.000 1.119 520 I CA 0.539 61.914 61.300 0.126 0.000 1.417 520 I CB -0.030 38.035 38.000 0.108 0.000 1.078 520 I HN 0.112 nan 8.210 nan 0.000 0.421 521 L N 0.441 121.701 121.223 0.063 0.000 2.083 521 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 521 L C 2.573 179.499 176.870 0.095 0.000 1.083 521 L CA 1.710 56.565 54.840 0.025 0.000 0.752 521 L CB -0.618 41.530 42.059 0.149 0.000 0.899 521 L HN 0.071 nan 8.230 nan 0.000 0.433 522 R N -1.514 118.959 120.500 -0.045 0.000 2.081 522 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 522 R C 2.182 178.611 176.300 0.216 0.000 1.131 522 R CA 1.845 57.879 56.100 -0.110 0.000 0.960 522 R CB -0.621 29.131 30.300 -0.914 0.000 0.856 522 R HN 0.317 nan 8.270 nan 0.000 0.436 523 T N 0.295 114.983 114.554 0.224 0.000 2.732 523 T HA -0.071 4.279 4.350 -0.000 0.000 0.261 523 T C 1.950 176.841 174.700 0.319 0.000 1.040 523 T CA 1.238 63.534 62.100 0.327 0.000 1.145 523 T CB -0.137 68.938 68.868 0.345 0.000 0.866 523 T HN -0.036 nan 8.240 nan 0.000 0.427 524 V N 1.128 121.159 119.914 0.196 0.000 2.287 524 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 524 V C 2.165 178.352 176.094 0.155 0.000 1.053 524 V CA 1.894 64.273 62.300 0.132 0.000 1.027 524 V CB -0.714 31.089 31.823 -0.034 0.000 0.646 524 V HN 0.640 nan 8.190 nan 0.000 0.447 525 H N 0.127 119.286 119.070 0.148 0.000 2.457 525 H HA -0.101 4.455 4.556 -0.000 0.000 0.294 525 H C 2.430 177.721 175.328 -0.062 0.000 1.064 525 H CA 1.237 57.314 56.048 0.049 0.000 1.330 525 H CB 0.006 29.735 29.762 -0.056 0.000 1.395 525 H HN 0.600 nan 8.280 nan 0.000 0.541 526 S N -0.035 115.732 115.700 0.112 0.000 2.442 526 S HA -0.202 4.267 4.470 -0.000 0.000 0.236 526 S C 1.475 176.031 174.600 -0.074 0.000 1.007 526 S CA 0.923 59.146 58.200 0.039 0.000 0.965 526 S CB -0.411 62.877 63.200 0.146 0.000 0.773 526 S HN 0.439 nan 8.310 nan 0.000 0.504 527 Y N 1.592 121.930 120.300 0.062 0.000 2.546 527 Y HA 0.197 4.747 4.550 -0.000 0.000 0.287 527 Y C 0.740 176.630 175.900 -0.016 0.000 1.158 527 Y CA 0.161 58.287 58.100 0.043 0.000 1.307 527 Y CB -0.164 38.342 38.460 0.077 0.000 1.036 527 Y HN 0.211 nan 8.280 nan 0.000 0.532 528 D N 0.187 120.616 120.400 0.048 0.000 2.737 528 D HA -0.147 4.493 4.640 -0.000 0.000 0.238 528 D C -2.704 173.664 176.300 0.113 0.000 1.157 528 D CA -0.091 53.873 54.000 -0.060 0.000 0.694 528 D CB -0.304 40.263 40.800 -0.388 0.000 1.021 528 D HN 0.131 nan 8.370 nan 0.000 0.420 529 P HA 0.081 nan 4.420 nan 0.000 0.267 529 P C -0.095 177.294 177.300 0.148 0.000 1.200 529 P CA -0.395 62.799 63.100 0.157 0.000 0.772 529 P CB 1.008 32.787 31.700 0.132 0.000 0.855 530 C N 4.933 124.322 119.300 0.148 0.000 2.654 530 C HA 0.293 4.753 4.460 -0.000 0.000 0.315 530 C C 1.352 176.434 174.990 0.155 0.000 1.054 530 C CA -0.386 58.721 59.018 0.149 0.000 1.419 530 C CB -1.354 26.484 27.740 0.164 0.000 1.889 530 C HN 0.442 nan 8.230 nan 0.000 0.447 531 I N 3.592 124.243 120.570 0.135 0.000 2.439 531 I HA 0.019 4.189 4.170 -0.000 0.000 0.251 531 I C 2.535 178.743 176.117 0.151 0.000 1.139 531 I CA 1.746 63.135 61.300 0.148 0.000 1.438 531 I CB -0.994 37.096 38.000 0.151 0.000 1.085 531 I HN 0.731 nan 8.210 nan 0.000 0.427 532 A N -0.500 122.402 122.820 0.136 0.000 1.902 532 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 532 A C 2.523 180.199 177.584 0.154 0.000 1.181 532 A CA 1.915 54.026 52.037 0.124 0.000 0.623 532 A CB -1.271 17.794 19.000 0.108 0.000 0.818 532 A HN 0.487 nan 8.150 nan 0.000 0.443 533 C N -1.256 118.167 119.300 0.206 0.000 2.476 533 C HA 0.088 4.547 4.460 -0.000 0.000 0.278 533 C C 3.028 178.241 174.990 0.371 0.000 1.274 533 C CA 0.621 59.820 59.018 0.301 0.000 1.713 533 C CB -1.479 26.462 27.740 0.334 0.000 2.039 533 C HN 0.696 nan 8.230 nan 0.000 0.484 534 G N -0.194 108.762 108.800 0.259 0.000 2.432 534 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.219 534 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.219 534 G C 1.511 176.458 174.900 0.079 0.000 1.135 534 G CA 1.584 46.817 45.100 0.221 0.000 0.767 534 G HN 0.442 nan 8.290 nan 0.000 0.550 535 V N 0.886 120.792 119.914 -0.014 0.000 2.922 535 V HA 0.149 4.269 4.120 -0.000 0.000 0.242 535 V C 1.092 176.797 176.094 -0.647 0.000 1.094 535 V CA 0.543 62.726 62.300 -0.196 0.000 1.106 535 V CB -0.649 31.243 31.823 0.116 0.000 0.799 535 V HN 0.731 nan 8.190 nan 0.000 0.474 536 H N 0.000 119.083 119.070 0.022 0.000 2.539 536 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 536 H CA 0.000 55.992 56.048 -0.094 0.000 1.023 536 H CB 0.000 29.712 29.762 -0.083 0.000 1.292 536 H HN 0.000 nan 8.280 nan 0.000 0.496