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 2wr5_1_C DATA FIRST_RESID 6 DATA SEQUENCE QIcIGYHANN STEKVDTILE RNVTVTHAKD ILEKTHNGKL cRLSGIPPLE DATA SEQUENCE LGDcSIAGWL LGNPEcDRLL SVPEWSYIVE KENPTNGLcY PGSFNDYEEL DATA SEQUENCE KHLLTSVTHF EKIKILPRDQ WTQHTTTGGS RAcAVXGNPS FFRNMVWLTK DATA SEQUENCE KGSNYPVAKR SYNNTSGEQM LIIWGIHYPN DDTEQRTLYQ NVGTYVSVGT DATA SEQUENCE STLNKRSIPE IATRPKVNGQ GGRMEFSWTL LETWDVINFE STGNLIAPEY DATA SEQUENCE GFKISKRGSS GIMKTEKTLE NcETKcQTPL GAINTTLPFH NIHPLTIGEc DATA SEQUENCE PKYVKSDRLV LATGLRNVPX XXXXGLFGAI AGFIEGGWQG MVDGWYGYHH DATA SEQUENCE SNDQGSGYAA DKESTQKAFD GITNKVNSVI AKMNTQFEAV GKEFSNLERR DATA SEQUENCE LENLNKKMED GFLDVWTYNA ELLVLMENER TLDFHDSNVK NLYDKVRMQL DATA SEQUENCE RDNVKELGNG cFEFYHKcDD EcMNSVKNGT YDYPKYEEES K 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 6 Q HA 0.000 nan 4.340 nan 0.000 0.214 6 Q C 0.000 176.134 176.000 0.223 0.000 1.003 6 Q CA 0.000 55.919 55.803 0.194 0.000 1.022 6 Q CB 0.000 28.782 28.738 0.074 0.000 1.108 7 I N 3.177 123.995 120.570 0.413 0.000 2.509 7 I HA 0.646 3.436 4.170 -2.300 0.000 0.293 7 I C -1.183 175.185 176.117 0.418 0.000 1.020 7 I CA -0.966 60.581 61.300 0.412 0.000 1.088 7 I CB 1.730 40.054 38.000 0.540 0.000 1.267 7 I HN 0.891 nan 8.210 nan 0.000 0.430 8 c N 6.860 125.735 118.600 0.459 0.000 2.626 8 c HA 0.578 3.768 4.570 -2.300 0.000 0.310 8 c C -0.392 174.145 174.090 0.744 0.000 1.191 8 c CA -0.823 55.839 56.329 0.556 0.000 1.517 8 c CB 1.673 44.512 42.510 0.548 0.000 2.102 8 c HN 0.401 nan 8.230 nan 0.000 0.479 9 I N 3.367 124.297 120.570 0.600 0.000 2.312 9 I HA 0.554 3.345 4.170 -2.300 0.000 0.290 9 I C 0.684 176.807 176.117 0.011 0.000 1.008 9 I CA 0.481 62.013 61.300 0.387 0.000 1.226 9 I CB 0.310 38.545 38.000 0.391 0.000 1.371 9 I HN 0.889 nan 8.210 nan 0.000 0.468 10 G N 6.106 114.562 108.800 -0.573 0.000 3.042 10 G HA2 0.767 3.347 3.960 -2.300 0.000 0.278 10 G HA3 0.767 3.347 3.960 -2.300 0.000 0.278 10 G C -1.638 172.732 174.900 -0.883 0.000 1.371 10 G CA -0.457 43.620 45.100 -1.704 0.000 1.009 10 G HN 0.497 nan 8.290 nan 0.000 0.523 11 Y N -2.471 117.322 120.300 -0.845 0.000 2.609 11 Y HA 0.718 3.888 4.550 -2.300 0.000 0.342 11 Y C -0.299 175.466 175.900 -0.226 0.000 1.058 11 Y CA -1.585 56.323 58.100 -0.320 0.000 1.055 11 Y CB 0.963 39.313 38.460 -0.184 0.000 1.292 11 Y HN 0.753 nan 8.280 nan 0.000 0.476 12 H N 1.315 120.408 119.070 0.038 0.000 2.707 12 H HA 0.697 3.873 4.556 -2.300 0.000 0.359 12 H C -0.989 174.348 175.328 0.014 0.000 1.113 12 H CA 0.332 56.390 56.048 0.017 0.000 1.422 12 H CB 0.866 30.681 29.762 0.089 0.000 1.443 12 H HN 1.028 nan 8.280 nan 0.000 0.591 13 A N 4.243 126.672 122.820 -0.651 0.000 2.556 13 A HA 0.572 3.512 4.320 -2.300 0.000 0.294 13 A C -1.013 176.192 177.584 -0.631 0.000 1.091 13 A CA -0.459 51.262 52.037 -0.528 0.000 0.704 13 A CB 1.482 20.345 19.000 -0.228 0.000 1.300 13 A HN 1.010 nan 8.150 nan 0.000 0.406 14 N N -0.661 117.833 118.700 -0.342 0.000 3.418 14 N HA 0.298 3.658 4.740 -2.300 0.000 0.316 14 N C -1.049 174.423 175.510 -0.063 0.000 1.601 14 N CA -0.456 52.502 53.050 -0.152 0.000 0.805 14 N CB 0.168 38.632 38.487 -0.037 0.000 1.873 14 N HN 0.409 nan 8.380 nan 0.000 0.615 15 N N -1.341 117.353 118.700 -0.009 0.000 2.558 15 N HA 0.177 3.538 4.740 -2.300 0.000 0.281 15 N C -0.879 174.639 175.510 0.014 0.000 1.219 15 N CA -0.435 52.614 53.050 -0.001 0.000 0.942 15 N CB -0.146 38.344 38.487 0.006 0.000 1.241 15 N HN 0.457 nan 8.380 nan 0.000 0.511 16 S N -0.140 115.570 115.700 0.016 0.000 2.554 16 S HA 0.376 3.466 4.470 -2.300 0.000 0.278 16 S C 0.790 175.399 174.600 0.015 0.000 1.242 16 S CA -0.437 57.783 58.200 0.034 0.000 1.051 16 S CB 0.515 63.751 63.200 0.060 0.000 0.986 16 S HN 0.470 nan 8.310 nan 0.000 0.502 17 T N 0.681 115.246 114.554 0.018 0.000 3.084 17 T HA 0.289 3.259 4.350 -2.300 0.000 0.270 17 T C 0.167 174.874 174.700 0.012 0.000 1.008 17 T CA -0.423 61.682 62.100 0.009 0.000 0.900 17 T CB -0.077 68.794 68.868 0.006 0.000 1.084 17 T HN 0.579 nan 8.240 nan 0.000 0.538 18 E N 2.531 122.745 120.200 0.023 0.000 2.415 18 E HA 0.171 3.141 4.350 -2.300 0.000 0.260 18 E C -0.232 176.378 176.600 0.016 0.000 1.016 18 E CA 0.264 56.680 56.400 0.027 0.000 0.924 18 E CB 0.380 30.111 29.700 0.052 0.000 0.961 18 E HN 0.125 nan 8.360 nan 0.000 0.459 19 K N 2.986 123.392 120.400 0.009 0.000 2.207 19 K HA 0.501 3.442 4.320 -2.300 0.000 0.255 19 K C -0.838 175.761 176.600 -0.001 0.000 0.941 19 K CA -0.905 55.381 56.287 -0.000 0.000 0.825 19 K CB 1.743 34.239 32.500 -0.005 0.000 1.119 19 K HN 0.438 nan 8.250 nan 0.000 0.430 20 V N -1.545 118.365 119.914 -0.007 0.000 3.130 20 V HA 0.573 3.313 4.120 -2.300 0.000 0.310 20 V C -0.847 175.236 176.094 -0.019 0.000 1.158 20 V CA -1.051 61.243 62.300 -0.010 0.000 1.029 20 V CB 2.377 34.197 31.823 -0.004 0.000 1.057 20 V HN 0.540 nan 8.190 nan 0.000 0.436 21 D N 1.505 121.890 120.400 -0.025 0.000 2.228 21 D HA 0.766 4.027 4.640 -2.300 0.000 0.247 21 D C 0.038 176.317 176.300 -0.034 0.000 0.995 21 D CA 0.158 54.139 54.000 -0.031 0.000 0.903 21 D CB 2.257 43.034 40.800 -0.038 0.000 1.205 21 D HN 1.115 nan 8.370 nan 0.000 0.459 22 T N -2.260 112.273 114.554 -0.035 0.000 2.831 22 T HA 0.344 3.314 4.350 -2.300 0.000 0.287 22 T C 1.379 176.054 174.700 -0.041 0.000 1.070 22 T CA -0.703 61.375 62.100 -0.037 0.000 1.010 22 T CB 0.787 69.636 68.868 -0.031 0.000 1.264 22 T HN 0.080 nan 8.240 nan 0.000 0.532 23 I N 0.300 120.844 120.570 -0.042 0.000 2.264 23 I HA -0.053 2.737 4.170 -2.300 0.000 0.248 23 I C 2.023 178.118 176.117 -0.036 0.000 1.111 23 I CA 1.564 62.838 61.300 -0.043 0.000 1.382 23 I CB -0.939 37.037 38.000 -0.040 0.000 1.060 23 I HN 0.609 nan 8.210 nan 0.000 0.418 24 L N -0.973 120.229 121.223 -0.034 0.000 2.470 24 L HA 0.147 3.108 4.340 -2.300 0.000 0.219 24 L C 0.373 177.225 176.870 -0.031 0.000 1.071 24 L CA 0.243 55.064 54.840 -0.032 0.000 0.850 24 L CB 0.106 42.146 42.059 -0.033 0.000 1.040 24 L HN 0.119 nan 8.230 nan 0.000 0.475 25 E N -0.278 119.903 120.200 -0.031 0.000 2.369 25 E HA 0.526 3.497 4.350 -2.300 0.000 0.270 25 E C -0.893 175.690 176.600 -0.029 0.000 0.909 25 E CA -0.930 55.452 56.400 -0.030 0.000 0.775 25 E CB 2.239 31.921 29.700 -0.031 0.000 1.270 25 E HN -0.078 nan 8.360 nan 0.000 0.445 26 R N 1.280 121.764 120.500 -0.027 0.000 2.873 26 R HA 0.394 3.354 4.340 -2.300 0.000 0.264 26 R C -0.392 175.893 176.300 -0.024 0.000 1.026 26 R CA -1.064 55.021 56.100 -0.026 0.000 1.002 26 R CB 0.580 30.866 30.300 -0.025 0.000 1.174 26 R HN 0.579 nan 8.270 nan 0.000 0.488 27 N N -0.081 118.606 118.700 -0.022 0.000 2.686 27 N HA -0.158 3.203 4.740 -2.300 0.000 0.261 27 N C -1.037 174.460 175.510 -0.021 0.000 1.001 27 N CA 0.513 53.552 53.050 -0.019 0.000 0.764 27 N CB -0.804 37.672 38.487 -0.017 0.000 0.898 27 N HN 0.225 nan 8.380 nan 0.000 0.544 28 V N 1.322 121.223 119.914 -0.023 0.000 2.348 28 V HA 0.157 2.897 4.120 -2.300 0.000 0.270 28 V C 0.857 176.936 176.094 -0.025 0.000 1.037 28 V CA -0.476 61.808 62.300 -0.027 0.000 0.872 28 V CB 1.599 33.403 31.823 -0.031 0.000 1.002 28 V HN 0.249 nan 8.190 nan 0.000 0.464 29 T N 5.149 119.687 114.554 -0.026 0.000 2.902 29 T HA 0.335 3.305 4.350 -2.300 0.000 0.301 29 T C -0.025 174.655 174.700 -0.033 0.000 1.012 29 T CA 0.206 62.292 62.100 -0.023 0.000 1.151 29 T CB 1.036 69.889 68.868 -0.025 0.000 0.946 29 T HN 0.370 nan 8.240 nan 0.000 0.542 30 V N 2.902 122.802 119.914 -0.022 0.000 3.001 30 V HA 0.272 3.013 4.120 -2.300 0.000 0.314 30 V C 1.289 177.369 176.094 -0.024 0.000 1.099 30 V CA -0.531 61.748 62.300 -0.034 0.000 0.989 30 V CB 2.370 34.187 31.823 -0.010 0.000 1.040 30 V HN 0.990 nan 8.190 nan 0.000 0.434 31 T N 1.317 115.825 114.554 -0.076 0.000 2.639 31 T HA -0.001 2.969 4.350 -2.300 0.000 0.261 31 T C 0.249 174.997 174.700 0.080 0.000 1.053 31 T CA 1.579 63.626 62.100 -0.088 0.000 1.158 31 T CB -0.177 68.557 68.868 -0.224 0.000 0.863 31 T HN 0.742 nan 8.240 nan 0.000 0.413 32 H N -1.050 118.101 119.070 0.136 0.000 2.747 32 H HA 0.695 3.871 4.556 -2.300 0.000 0.371 32 H C -0.643 174.751 175.328 0.110 0.000 1.161 32 H CA -1.140 54.995 56.048 0.146 0.000 1.167 32 H CB 1.899 31.798 29.762 0.227 0.000 1.732 32 H HN 0.380 nan 8.280 nan 0.000 0.544 33 A N 1.677 124.629 122.820 0.220 0.000 2.566 33 A HA 0.620 3.561 4.320 -2.300 0.000 0.292 33 A C -1.420 176.228 177.584 0.106 0.000 1.112 33 A CA -0.827 51.292 52.037 0.136 0.000 0.707 33 A CB 2.114 21.167 19.000 0.089 0.000 1.302 33 A HN 0.653 nan 8.150 nan 0.000 0.409 34 K N 1.096 121.547 120.400 0.086 0.000 2.471 34 K HA 0.361 3.302 4.320 -2.300 0.000 0.252 34 K C -1.624 175.010 176.600 0.058 0.000 0.938 34 K CA -0.534 55.794 56.287 0.069 0.000 0.796 34 K CB 1.509 34.053 32.500 0.074 0.000 1.161 34 K HN 0.726 nan 8.250 nan 0.000 0.425 35 D N 4.427 124.857 120.400 0.049 0.000 2.351 35 D HA 0.113 3.373 4.640 -2.300 0.000 0.251 35 D C 0.486 176.825 176.300 0.065 0.000 1.137 35 D CA -0.230 53.799 54.000 0.048 0.000 0.879 35 D CB 0.821 41.644 40.800 0.039 0.000 1.181 35 D HN 0.631 nan 8.370 nan 0.000 0.448 36 I N 1.230 121.852 120.570 0.087 0.000 3.707 36 I HA 0.324 3.114 4.170 -2.300 0.000 0.330 36 I C -0.934 175.301 176.117 0.197 0.000 1.572 36 I CA -0.636 60.745 61.300 0.136 0.000 1.104 36 I CB 0.432 38.538 38.000 0.176 0.000 1.240 36 I HN 0.015 nan 8.210 nan 0.000 0.475 37 L N 1.719 123.021 121.223 0.132 0.000 2.349 37 L HA 0.590 3.550 4.340 -2.300 0.000 0.278 37 L C -0.450 176.489 176.870 0.114 0.000 0.996 37 L CA -0.441 54.483 54.840 0.141 0.000 0.825 37 L CB 1.664 43.761 42.059 0.063 0.000 1.243 37 L HN 0.202 nan 8.230 nan 0.000 0.412 38 E N 3.786 124.074 120.200 0.147 0.000 2.194 38 E HA 0.341 3.311 4.350 -2.300 0.000 0.284 38 E C -0.202 176.485 176.600 0.145 0.000 1.035 38 E CA 0.128 56.602 56.400 0.124 0.000 0.836 38 E CB 0.720 30.490 29.700 0.117 0.000 1.070 38 E HN 0.612 nan 8.360 nan 0.000 0.401 39 K N 1.842 122.299 120.400 0.095 0.000 2.477 39 K HA 0.170 3.110 4.320 -2.300 0.000 0.208 39 K C -0.227 176.403 176.600 0.052 0.000 1.117 39 K CA -0.228 56.116 56.287 0.095 0.000 1.039 39 K CB 0.624 33.162 32.500 0.063 0.000 0.937 39 K HN 0.474 nan 8.250 nan 0.000 0.570 40 T N 0.423 114.987 114.554 0.017 0.000 2.859 40 T HA 0.461 3.432 4.350 -2.300 0.000 0.281 40 T C -0.412 174.271 174.700 -0.030 0.000 1.005 40 T CA -0.767 61.287 62.100 -0.078 0.000 1.025 40 T CB 1.100 69.920 68.868 -0.080 0.000 0.977 40 T HN 0.348 nan 8.240 nan 0.000 0.458 41 H N 0.598 119.678 119.070 0.016 0.000 2.824 41 H HA 0.644 3.821 4.556 -2.299 0.000 0.345 41 H C 0.543 175.867 175.328 -0.007 0.000 1.252 41 H CA -1.137 54.909 56.048 -0.003 0.000 1.246 41 H CB 0.533 30.290 29.762 -0.007 0.000 1.908 41 H HN 0.499 nan 8.280 nan 0.000 0.601 42 N N -1.048 117.772 118.700 0.201 0.000 2.230 42 N HA 0.116 3.477 4.740 -2.300 0.000 0.202 42 N C 1.239 176.850 175.510 0.168 0.000 1.119 42 N CA 0.166 53.288 53.050 0.119 0.000 0.851 42 N CB 0.122 38.641 38.487 0.054 0.000 0.990 42 N HN 1.110 nan 8.380 nan 0.000 0.497 43 G N -0.150 108.874 108.800 0.373 0.000 2.216 43 G HA2 -0.396 2.185 3.960 -2.300 0.000 0.269 43 G HA3 -0.396 2.185 3.960 -2.300 0.000 0.269 43 G C 0.030 174.955 174.900 0.041 0.000 0.981 43 G CA 1.087 46.312 45.100 0.209 0.000 0.658 43 G HN 0.537 nan 8.290 nan 0.000 0.539 44 K N -0.939 119.478 120.400 0.028 0.000 2.109 44 K HA 0.742 3.683 4.320 -2.300 0.000 0.243 44 K C -0.185 176.400 176.600 -0.025 0.000 1.006 44 K CA -0.844 55.443 56.287 -0.001 0.000 0.917 44 K CB 1.501 34.006 32.500 0.008 0.000 1.081 44 K HN 0.117 nan 8.250 nan 0.000 0.468 45 L N 2.014 123.227 121.223 -0.016 0.000 2.353 45 L HA 0.331 3.291 4.340 -2.300 0.000 0.270 45 L C -1.158 175.732 176.870 0.033 0.000 1.003 45 L CA -0.483 54.358 54.840 0.001 0.000 0.862 45 L CB 0.464 42.520 42.059 -0.005 0.000 1.221 45 L HN 0.711 nan 8.230 nan 0.000 0.430 46 c N 2.375 121.006 118.600 0.051 0.000 2.484 46 c HA 0.614 3.804 4.570 -2.300 0.000 0.409 46 c C 0.220 174.385 174.090 0.124 0.000 1.434 46 c CA -0.842 55.520 56.329 0.056 0.000 1.913 46 c CB 1.508 44.034 42.510 0.026 0.000 2.028 46 c HN 0.855 nan 8.230 nan 0.000 0.516 47 R N 0.428 120.984 120.500 0.093 0.000 2.404 47 R HA 0.613 3.573 4.340 -2.300 0.000 0.291 47 R C -1.194 175.184 176.300 0.129 0.000 1.025 47 R CA -0.440 55.738 56.100 0.131 0.000 0.991 47 R CB 0.433 30.772 30.300 0.066 0.000 1.053 47 R HN 0.549 nan 8.270 nan 0.000 0.479 48 L N 3.657 124.994 121.223 0.190 0.000 2.328 48 L HA 0.187 3.147 4.340 -2.300 0.000 0.280 48 L C -0.580 176.341 176.870 0.085 0.000 1.111 48 L CA 0.632 55.548 54.840 0.127 0.000 0.909 48 L CB 0.307 42.468 42.059 0.169 0.000 1.277 48 L HN 0.980 nan 8.230 nan 0.000 0.433 49 S N 3.325 119.055 115.700 0.050 0.000 3.858 49 S HA -0.113 2.977 4.470 -2.300 0.000 0.356 49 S C 1.138 175.750 174.600 0.020 0.000 1.013 49 S CA 1.005 59.221 58.200 0.027 0.000 1.083 49 S CB -1.769 61.442 63.200 0.018 0.000 0.883 49 S HN 1.542 nan 8.310 nan 0.000 0.475 50 G N -0.412 108.403 108.800 0.026 0.000 2.199 50 G HA2 -0.273 2.307 3.960 -2.300 0.000 0.254 50 G HA3 -0.273 2.307 3.960 -2.300 0.000 0.254 50 G C -0.029 174.885 174.900 0.024 0.000 0.982 50 G CA 0.178 45.289 45.100 0.019 0.000 0.632 50 G HN 0.798 nan 8.290 nan 0.000 0.529 51 I N 1.936 122.530 120.570 0.040 0.000 2.418 51 I HA 0.338 3.128 4.170 -2.300 0.000 0.287 51 I C -2.291 173.872 176.117 0.077 0.000 1.008 51 I CA -2.433 58.894 61.300 0.044 0.000 1.104 51 I CB 2.280 40.295 38.000 0.026 0.000 1.264 51 I HN -0.145 nan 8.210 nan 0.000 0.438 52 P HA 0.254 nan 4.420 nan 0.000 0.273 52 P C -2.637 174.629 177.300 -0.057 0.000 1.250 52 P CA -1.390 61.715 63.100 0.008 0.000 0.793 52 P CB -0.145 31.544 31.700 -0.018 0.000 1.011 53 P HA 0.227 nan 4.420 nan 0.000 0.284 53 P C -0.916 176.098 177.300 -0.477 0.000 1.258 53 P CA -0.580 62.121 63.100 -0.664 0.000 0.824 53 P CB 0.400 31.317 31.700 -1.304 0.000 1.038 54 L N 2.378 123.216 121.223 -0.643 0.000 2.433 54 L HA 0.142 3.103 4.340 -2.300 0.000 0.275 54 L C -0.027 176.372 176.870 -0.786 0.000 1.128 54 L CA 0.580 54.858 54.840 -0.937 0.000 0.875 54 L CB -0.911 39.970 42.059 -1.963 0.000 1.171 54 L HN 0.296 nan 8.230 nan 0.000 0.463 55 E N 5.717 125.555 120.200 -0.604 0.000 2.115 55 E HA 0.193 3.163 4.350 -2.300 0.000 0.282 55 E C 0.373 176.676 176.600 -0.496 0.000 0.987 55 E CA -0.165 55.951 56.400 -0.474 0.000 0.797 55 E CB 1.202 30.706 29.700 -0.327 0.000 1.086 55 E HN 0.700 nan 8.360 nan 0.000 0.397 56 L N 2.749 123.695 121.223 -0.463 0.000 2.607 56 L HA 0.179 3.139 4.340 -2.300 0.000 0.228 56 L C 1.318 178.025 176.870 -0.271 0.000 1.123 56 L CA 0.151 54.728 54.840 -0.439 0.000 0.890 56 L CB -0.323 41.467 42.059 -0.449 0.000 1.103 56 L HN 0.897 nan 8.230 nan 0.000 0.468 57 G N 2.125 110.792 108.800 -0.222 0.000 2.622 57 G HA2 -0.395 2.186 3.960 -2.300 0.000 0.307 57 G HA3 -0.395 2.186 3.960 -2.300 0.000 0.307 57 G C 0.135 174.959 174.900 -0.126 0.000 1.226 57 G CA 0.530 45.541 45.100 -0.150 0.000 0.997 57 G HN 0.525 nan 8.290 nan 0.000 0.551 58 D N 0.258 120.603 120.400 -0.093 0.000 3.008 58 D HA 0.448 3.709 4.640 -2.300 0.000 0.312 58 D C 0.387 176.653 176.300 -0.056 0.000 1.361 58 D CA -0.192 53.764 54.000 -0.072 0.000 0.858 58 D CB -0.544 40.225 40.800 -0.050 0.000 1.098 58 D HN 0.516 nan 8.370 nan 0.000 0.482 59 c N 0.350 118.905 118.600 -0.074 0.000 2.354 59 c HA 0.806 3.996 4.570 -2.300 0.000 0.381 59 c C 0.736 174.794 174.090 -0.053 0.000 1.240 59 c CA -0.447 55.858 56.329 -0.040 0.000 2.089 59 c CB 1.445 43.942 42.510 -0.022 0.000 2.234 59 c HN 0.573 nan 8.230 nan 0.000 0.544 60 S N -0.053 115.644 115.700 -0.006 0.000 2.664 60 S HA 0.553 3.644 4.470 -2.300 0.000 0.304 60 S C 0.581 175.198 174.600 0.029 0.000 1.099 60 S CA -0.500 57.700 58.200 -0.000 0.000 1.003 60 S CB 0.611 63.840 63.200 0.048 0.000 1.092 60 S HN 0.501 nan 8.310 nan 0.000 0.525 61 I N 1.678 122.250 120.570 0.003 0.000 2.208 61 I HA -0.153 2.637 4.170 -2.300 0.000 0.245 61 I C 2.847 178.997 176.117 0.055 0.000 1.097 61 I CA 1.992 63.317 61.300 0.042 0.000 1.363 61 I CB -0.839 37.090 38.000 -0.117 0.000 1.051 61 I HN 0.907 nan 8.210 nan 0.000 0.413 62 A N 0.452 123.292 122.820 0.033 0.000 1.873 62 A HA -0.204 2.736 4.320 -2.300 0.000 0.218 62 A C 2.494 180.063 177.584 -0.026 0.000 1.193 62 A CA 2.165 54.140 52.037 -0.102 0.000 0.629 62 A CB -1.670 17.199 19.000 -0.218 0.000 0.826 62 A HN 0.465 nan 8.150 nan 0.000 0.447 63 G N -1.857 106.969 108.800 0.043 0.000 2.418 63 G HA2 -0.276 2.304 3.960 -2.300 0.000 0.217 63 G HA3 -0.276 2.304 3.960 -2.300 0.000 0.217 63 G C 1.383 176.354 174.900 0.119 0.000 1.158 63 G CA 1.194 46.352 45.100 0.096 0.000 0.771 63 G HN 0.725 nan 8.290 nan 0.000 0.545 64 W N 1.298 122.545 121.300 -0.089 0.000 2.378 64 W HA 0.056 3.398 4.660 -2.196 0.000 0.313 64 W C 2.260 178.733 176.519 -0.076 0.000 1.197 64 W CA 1.190 58.473 57.345 -0.104 0.000 1.304 64 W CB -0.518 28.830 29.460 -0.188 0.000 1.148 64 W HN 0.122 nan 8.180 nan 0.000 0.494 65 L N 0.245 121.257 121.223 -0.352 0.000 2.093 65 L HA -0.213 2.748 4.340 -2.300 0.000 0.208 65 L C 2.555 179.316 176.870 -0.182 0.000 1.085 65 L CA 1.143 55.666 54.840 -0.527 0.000 0.755 65 L CB -0.956 40.817 42.059 -0.477 0.000 0.904 65 L HN 0.051 nan 8.230 nan 0.000 0.435 66 L N -0.412 120.704 121.223 -0.179 0.000 2.156 66 L HA 0.006 2.966 4.340 -2.300 0.000 0.208 66 L C 1.228 178.079 176.870 -0.032 0.000 1.095 66 L CA 0.839 55.530 54.840 -0.249 0.000 0.770 66 L CB -0.506 41.133 42.059 -0.700 0.000 0.914 66 L HN 0.535 nan 8.230 nan 0.000 0.439 67 G N 0.747 109.565 108.800 0.029 0.000 2.288 67 G HA2 -0.233 2.347 3.960 -2.300 0.000 0.205 67 G HA3 -0.233 2.347 3.960 -2.300 0.000 0.205 67 G C -0.080 174.886 174.900 0.109 0.000 1.071 67 G CA -0.281 44.853 45.100 0.058 0.000 0.788 67 G HN 0.290 nan 8.290 nan 0.000 0.491 68 N N 0.494 119.285 118.700 0.152 0.000 2.359 68 N HA 0.126 3.486 4.740 -2.300 0.000 0.261 68 N C -0.521 174.996 175.510 0.012 0.000 1.267 68 N CA -1.002 52.080 53.050 0.054 0.000 0.864 68 N CB 1.071 39.609 38.487 0.085 0.000 1.063 68 N HN 0.096 nan 8.380 nan 0.000 0.474 69 P HA -0.088 nan 4.420 nan 0.000 0.223 69 P C 0.263 177.565 177.300 0.003 0.000 1.144 69 P CA 1.072 64.166 63.100 -0.009 0.000 0.783 69 P CB 0.309 31.996 31.700 -0.020 0.000 0.771 70 E N -1.972 118.230 120.200 0.003 0.000 2.489 70 E HA 0.044 3.014 4.350 -2.300 0.000 0.193 70 E C 0.601 177.212 176.600 0.017 0.000 1.057 70 E CA 0.310 56.714 56.400 0.007 0.000 0.866 70 E CB -0.530 29.171 29.700 0.002 0.000 0.916 70 E HN 0.290 nan 8.360 nan 0.000 0.500 71 c N 0.799 119.422 118.600 0.037 0.000 2.881 71 c HA 0.200 3.390 4.570 -2.300 0.000 0.290 71 c C 1.579 175.709 174.090 0.067 0.000 1.362 71 c CA -0.750 55.617 56.329 0.063 0.000 1.757 71 c CB -0.271 42.315 42.510 0.126 0.000 2.265 71 c HN 0.225 nan 8.230 nan 0.000 0.600 72 D N 1.974 122.398 120.400 0.039 0.000 2.144 72 D HA -0.065 3.195 4.640 -2.300 0.000 0.200 72 D C 2.200 178.519 176.300 0.030 0.000 0.978 72 D CA 1.345 55.365 54.000 0.034 0.000 0.833 72 D CB 0.053 40.866 40.800 0.021 0.000 0.961 72 D HN 0.557 nan 8.370 nan 0.000 0.470 73 R N 0.788 121.298 120.500 0.017 0.000 3.081 73 R HA 0.269 3.229 4.340 -2.300 0.000 0.280 73 R C 1.642 177.939 176.300 -0.005 0.000 1.372 73 R CA -0.056 56.047 56.100 0.005 0.000 1.242 73 R CB -1.656 28.641 30.300 -0.005 0.000 1.316 73 R HN 0.245 nan 8.270 nan 0.000 0.585 74 L N -0.492 120.739 121.223 0.012 0.000 2.179 74 L HA 0.134 3.094 4.340 -2.300 0.000 0.208 74 L C 0.339 177.178 176.870 -0.052 0.000 1.096 74 L CA 0.523 55.349 54.840 -0.024 0.000 0.779 74 L CB -0.107 41.965 42.059 0.022 0.000 0.922 74 L HN 0.647 nan 8.230 nan 0.000 0.443 75 L N -0.064 121.157 121.223 -0.004 0.000 2.768 75 L HA -0.209 2.751 4.340 -2.300 0.000 0.566 75 L C -0.780 176.079 176.870 -0.019 0.000 1.001 75 L CA 0.508 55.341 54.840 -0.011 0.000 1.287 75 L CB -1.070 40.963 42.059 -0.043 0.000 1.674 75 L HN 0.059 nan 8.230 nan 0.000 0.827 76 S N 4.046 119.779 115.700 0.054 0.000 2.498 76 S HA 0.843 3.933 4.470 -2.300 0.000 0.317 76 S C -0.007 174.664 174.600 0.119 0.000 1.090 76 S CA -0.134 58.125 58.200 0.098 0.000 1.089 76 S CB 1.216 64.586 63.200 0.283 0.000 0.997 76 S HN 1.729 nan 8.310 nan 0.000 0.470 77 V N 3.956 123.935 119.914 0.108 0.000 3.083 77 V HA 0.638 3.379 4.120 -2.300 0.000 0.306 77 V C -2.082 174.164 176.094 0.253 0.000 1.077 77 V CA -1.398 60.989 62.300 0.146 0.000 1.073 77 V CB 0.478 32.372 31.823 0.118 0.000 1.081 77 V HN 0.717 nan 8.190 nan 0.000 0.474 78 P HA 0.262 nan 4.420 nan 0.000 0.257 78 P C 0.603 177.897 177.300 -0.009 0.000 1.241 78 P CA 0.465 63.630 63.100 0.108 0.000 0.816 78 P CB 0.718 32.433 31.700 0.026 0.000 1.150 79 E N -0.909 119.293 120.200 0.003 0.000 2.592 79 E HA 0.179 3.149 4.350 -2.300 0.000 0.184 79 E C -0.651 175.743 176.600 -0.342 0.000 1.056 79 E CA -0.254 56.047 56.400 -0.164 0.000 1.151 79 E CB 0.008 29.674 29.700 -0.056 0.000 1.435 79 E HN -0.044 nan 8.360 nan 0.000 0.496 80 W N 1.068 122.311 121.300 -0.095 0.000 3.075 80 W HA -0.290 2.973 4.660 -2.328 0.000 0.211 80 W C 0.039 176.501 176.519 -0.093 0.000 0.644 80 W CA 0.836 58.097 57.345 -0.139 0.000 0.459 80 W CB -1.189 28.125 29.460 -0.243 0.000 2.853 80 W HN 0.125 nan 8.180 nan 0.000 0.416 81 S N 1.566 117.402 115.700 0.227 0.000 2.649 81 S HA 0.381 3.471 4.470 -2.300 0.000 0.246 81 S C -0.229 174.611 174.600 0.401 0.000 1.057 81 S CA 0.357 58.680 58.200 0.205 0.000 1.051 81 S CB 0.102 63.421 63.200 0.199 0.000 1.018 81 S HN 1.591 nan 8.310 nan 0.000 0.569 82 Y N -1.078 119.335 120.300 0.188 0.000 2.656 82 Y HA 0.753 3.925 4.550 -2.297 0.000 0.334 82 Y C -1.588 174.287 175.900 -0.041 0.000 1.179 82 Y CA -1.717 56.438 58.100 0.091 0.000 1.050 82 Y CB 0.671 39.148 38.460 0.030 0.000 1.308 82 Y HN 0.000 nan 8.280 nan 0.000 0.456 83 I N 2.577 123.064 120.570 -0.138 0.000 2.460 83 I HA 0.555 3.346 4.170 -2.300 0.000 0.298 83 I C -0.967 174.961 176.117 -0.316 0.000 0.989 83 I CA -1.419 59.635 61.300 -0.410 0.000 1.173 83 I CB 2.007 39.766 38.000 -0.403 0.000 1.338 83 I HN 0.467 nan 8.210 nan 0.000 0.456 84 V N 5.446 125.114 119.914 -0.411 0.000 2.409 84 V HA 0.428 3.168 4.120 -2.300 0.000 0.291 84 V C -0.237 175.695 176.094 -0.271 0.000 1.020 84 V CA -0.408 61.726 62.300 -0.276 0.000 0.848 84 V CB 1.604 33.256 31.823 -0.285 0.000 0.990 84 V HN 0.748 nan 8.190 nan 0.000 0.430 85 E N 3.274 123.358 120.200 -0.194 0.000 2.416 85 E HA 0.544 3.515 4.350 -2.300 0.000 0.273 85 E C -1.179 175.349 176.600 -0.121 0.000 0.935 85 E CA -0.952 55.343 56.400 -0.176 0.000 0.784 85 E CB 2.269 31.868 29.700 -0.170 0.000 1.301 85 E HN 0.550 nan 8.360 nan 0.000 0.454 86 K N 1.474 121.816 120.400 -0.098 0.000 2.118 86 K HA 0.099 3.039 4.320 -2.300 0.000 0.267 86 K C 0.389 176.960 176.600 -0.048 0.000 0.991 86 K CA -0.319 55.927 56.287 -0.068 0.000 0.916 86 K CB 1.362 33.827 32.500 -0.059 0.000 1.041 86 K HN 0.499 nan 8.250 nan 0.000 0.455 87 E N 1.351 121.531 120.200 -0.034 0.000 2.393 87 E HA -0.215 2.755 4.350 -2.300 0.000 0.201 87 E C -0.301 176.295 176.600 -0.007 0.000 1.025 87 E CA 1.258 57.648 56.400 -0.018 0.000 0.856 87 E CB 0.041 29.737 29.700 -0.007 0.000 0.771 87 E HN 0.423 nan 8.360 nan 0.000 0.526 88 N N 0.250 118.943 118.700 -0.011 0.000 3.029 88 N HA 0.136 3.496 4.740 -2.300 0.000 0.198 88 N C -2.843 172.663 175.510 -0.006 0.000 1.444 88 N CA -0.890 52.160 53.050 -0.001 0.000 0.784 88 N CB 0.866 39.355 38.487 0.004 0.000 1.539 88 N HN -0.034 nan 8.380 nan 0.000 0.582 89 P HA 0.166 nan 4.420 nan 0.000 0.271 89 P C 0.986 178.283 177.300 -0.005 0.000 1.233 89 P CA -0.049 63.041 63.100 -0.017 0.000 0.789 89 P CB 0.837 32.524 31.700 -0.021 0.000 0.951 90 T N -3.414 111.136 114.554 -0.008 0.000 2.985 90 T HA 0.153 3.123 4.350 -2.300 0.000 0.254 90 T C 0.245 174.949 174.700 0.007 0.000 1.021 90 T CA -0.014 62.085 62.100 -0.001 0.000 0.957 90 T CB -0.394 68.470 68.868 -0.006 0.000 1.047 90 T HN 0.160 nan 8.240 nan 0.000 0.511 91 N N 1.406 120.111 118.700 0.008 0.000 2.682 91 N HA 0.559 3.919 4.740 -2.300 0.000 0.252 91 N C 0.187 175.721 175.510 0.041 0.000 1.081 91 N CA -0.254 52.808 53.050 0.021 0.000 0.844 91 N CB 1.539 40.034 38.487 0.014 0.000 1.167 91 N HN 0.474 nan 8.380 nan 0.000 0.523 92 G N 0.339 109.173 108.800 0.057 0.000 3.267 92 G HA2 0.328 2.908 3.960 -2.300 0.000 0.200 92 G HA3 0.328 2.908 3.960 -2.300 0.000 0.200 92 G C -0.333 174.651 174.900 0.139 0.000 1.603 92 G CA -0.399 44.745 45.100 0.073 0.000 0.753 92 G HN 0.345 nan 8.290 nan 0.000 0.755 93 L N 2.715 124.026 121.223 0.147 0.000 2.454 93 L HA 0.114 3.074 4.340 -2.300 0.000 0.284 93 L C 1.878 178.894 176.870 0.242 0.000 1.139 93 L CA -0.749 54.261 54.840 0.283 0.000 0.911 93 L CB 0.304 42.510 42.059 0.245 0.000 1.262 93 L HN 0.666 nan 8.230 nan 0.000 0.453 94 c N 1.234 119.949 118.600 0.193 0.000 2.422 94 c HA -0.138 3.053 4.570 -2.300 0.000 0.279 94 c C 1.124 175.279 174.090 0.108 0.000 1.305 94 c CA -0.250 56.114 56.329 0.059 0.000 1.757 94 c CB -1.075 41.390 42.510 -0.074 0.000 1.962 94 c HN 0.612 nan 8.230 nan 0.000 0.499 95 Y N 3.367 123.739 120.300 0.120 0.000 2.313 95 Y HA 0.500 3.671 4.550 -2.298 0.000 0.332 95 Y C -2.312 173.742 175.900 0.257 0.000 1.071 95 Y CA -2.634 55.596 58.100 0.216 0.000 1.169 95 Y CB 0.731 39.388 38.460 0.328 0.000 1.192 95 Y HN 0.068 nan 8.280 nan 0.000 0.487 96 P HA 0.332 nan 4.420 nan 0.000 0.268 96 P C -0.297 177.167 177.300 0.273 0.000 1.205 96 P CA 0.310 63.497 63.100 0.145 0.000 0.771 96 P CB 1.018 32.726 31.700 0.014 0.000 0.858 97 G N 0.390 109.313 108.800 0.205 0.000 2.325 97 G HA2 0.486 3.066 3.960 -2.300 0.000 0.295 97 G HA3 0.486 3.066 3.960 -2.300 0.000 0.295 97 G C -1.224 173.754 174.900 0.130 0.000 1.274 97 G CA -0.219 44.983 45.100 0.169 0.000 0.857 97 G HN 0.618 nan 8.290 nan 0.000 0.499 98 S N -1.556 114.206 115.700 0.103 0.000 2.806 98 S HA 0.874 3.964 4.470 -2.300 0.000 0.315 98 S C -1.422 173.252 174.600 0.123 0.000 1.127 98 S CA -0.821 57.440 58.200 0.101 0.000 0.918 98 S CB 2.322 65.581 63.200 0.099 0.000 1.240 98 S HN 1.098 nan 8.310 nan 0.000 0.552 99 F N 1.453 121.393 119.950 -0.015 0.000 2.612 99 F HA 0.425 3.560 4.527 -2.319 0.000 0.332 99 F C -0.351 175.523 175.800 0.123 0.000 1.167 99 F CA -0.773 57.240 58.000 0.023 0.000 0.970 99 F CB 1.426 40.303 39.000 -0.205 0.000 1.234 99 F HN 0.556 nan 8.300 nan 0.000 0.453 100 N N 4.781 123.647 118.700 0.277 0.000 2.412 100 N HA -0.026 3.334 4.740 -2.300 0.000 0.254 100 N C -0.280 175.487 175.510 0.428 0.000 1.232 100 N CA 0.917 54.115 53.050 0.246 0.000 0.880 100 N CB 0.379 38.904 38.487 0.064 0.000 1.076 100 N HN 0.641 nan 8.380 nan 0.000 0.458 101 D N 0.896 121.498 120.400 0.337 0.000 2.686 101 D HA -0.256 3.004 4.640 -2.300 0.000 0.235 101 D C 0.786 177.420 176.300 0.555 0.000 1.160 101 D CA 0.517 54.751 54.000 0.389 0.000 0.645 101 D CB -0.928 40.061 40.800 0.316 0.000 1.039 101 D HN 0.590 nan 8.370 nan 0.000 0.423 102 Y N 0.826 121.293 120.300 0.279 0.000 2.145 102 Y HA -0.210 2.956 4.550 -2.308 0.000 0.286 102 Y C 2.088 177.983 175.900 -0.009 0.000 1.145 102 Y CA 2.258 60.408 58.100 0.083 0.000 1.148 102 Y CB 0.015 38.494 38.460 0.031 0.000 0.981 102 Y HN 0.019 nan 8.280 nan 0.000 0.507 103 E N 0.116 120.309 120.200 -0.013 0.000 2.110 103 E HA -0.168 2.802 4.350 -2.300 0.000 0.193 103 E C 2.113 178.657 176.600 -0.093 0.000 0.988 103 E CA 1.422 57.729 56.400 -0.155 0.000 0.804 103 E CB -0.236 29.411 29.700 -0.088 0.000 0.745 103 E HN 0.428 nan 8.360 nan 0.000 0.458 104 E N 0.038 120.276 120.200 0.064 0.000 2.110 104 E HA -0.167 2.804 4.350 -2.300 0.000 0.193 104 E C 2.046 178.697 176.600 0.085 0.000 0.988 104 E CA 0.592 57.085 56.400 0.155 0.000 0.804 104 E CB -0.203 29.698 29.700 0.335 0.000 0.745 104 E HN 0.189 nan 8.360 nan 0.000 0.458 105 L N 1.647 122.816 121.223 -0.089 0.000 2.056 105 L HA -0.127 2.833 4.340 -2.300 0.000 0.207 105 L C 1.968 178.577 176.870 -0.435 0.000 1.078 105 L CA 1.751 56.245 54.840 -0.577 0.000 0.749 105 L CB -0.248 41.271 42.059 -0.900 0.000 0.901 105 L HN -0.082 nan 8.230 nan 0.000 0.433 106 K N -1.296 118.841 120.400 -0.438 0.000 2.057 106 K HA -0.230 2.711 4.320 -2.300 0.000 0.207 106 K C 2.169 178.652 176.600 -0.196 0.000 1.049 106 K CA 1.445 57.498 56.287 -0.389 0.000 0.931 106 K CB -0.615 31.583 32.500 -0.502 0.000 0.714 106 K HN 0.533 nan 8.250 nan 0.000 0.440 107 H N 1.354 120.299 119.070 -0.209 0.000 2.457 107 H HA -0.037 3.139 4.556 -2.300 0.000 0.294 107 H C 1.867 177.152 175.328 -0.072 0.000 1.064 107 H CA 0.700 56.676 56.048 -0.120 0.000 1.330 107 H CB 0.218 29.924 29.762 -0.094 0.000 1.395 107 H HN 0.098 nan 8.280 nan 0.000 0.541 108 L N 0.905 122.094 121.223 -0.056 0.000 2.240 108 L HA -0.038 2.922 4.340 -2.300 0.000 0.211 108 L C 1.511 178.330 176.870 -0.085 0.000 1.106 108 L CA 1.013 55.814 54.840 -0.064 0.000 0.793 108 L CB -0.431 41.589 42.059 -0.066 0.000 0.927 108 L HN 0.285 nan 8.230 nan 0.000 0.446 109 L N -0.884 120.286 121.223 -0.088 0.000 2.628 109 L HA 0.011 2.971 4.340 -2.300 0.000 0.229 109 L C 2.127 179.072 176.870 0.126 0.000 1.137 109 L CA -0.034 54.830 54.840 0.040 0.000 0.909 109 L CB -0.135 41.937 42.059 0.022 0.000 1.137 109 L HN 0.132 nan 8.230 nan 0.000 0.470 110 T N -1.100 113.445 114.554 -0.015 0.000 2.803 110 T HA -0.129 2.841 4.350 -2.300 0.000 0.269 110 T C 0.874 175.670 174.700 0.160 0.000 1.052 110 T CA 1.428 63.534 62.100 0.010 0.000 1.136 110 T CB 0.087 68.874 68.868 -0.135 0.000 0.864 110 T HN 0.313 nan 8.240 nan 0.000 0.467 111 S N -0.690 115.038 115.700 0.047 0.000 2.533 111 S HA 0.650 3.741 4.470 -2.300 0.000 0.271 111 S C -1.613 172.798 174.600 -0.314 0.000 1.143 111 S CA -0.703 57.438 58.200 -0.098 0.000 0.891 111 S CB 1.953 65.111 63.200 -0.070 0.000 1.105 111 S HN 0.034 nan 8.310 nan 0.000 0.468 112 V N 3.036 122.583 119.914 -0.611 0.000 3.178 112 V HA 0.429 3.169 4.120 -2.300 0.000 0.302 112 V C 1.393 177.220 176.094 -0.446 0.000 1.262 112 V CA -0.041 61.895 62.300 -0.606 0.000 1.030 112 V CB 2.296 33.478 31.823 -1.068 0.000 1.074 112 V HN 1.146 nan 8.190 nan 0.000 0.438 113 T N -0.080 114.341 114.554 -0.221 0.000 2.545 113 T HA -0.110 2.860 4.350 -2.300 0.000 0.261 113 T C 0.654 175.316 174.700 -0.064 0.000 1.097 113 T CA 1.639 63.685 62.100 -0.090 0.000 1.189 113 T CB -0.349 68.534 68.868 0.024 0.000 0.863 113 T HN 1.031 nan 8.240 nan 0.000 0.405 114 H N 0.818 119.818 119.070 -0.116 0.000 4.024 114 H HA -0.146 3.031 4.556 -2.298 0.000 0.307 114 H C -1.420 173.924 175.328 0.026 0.000 0.778 114 H CA 0.713 56.736 56.048 -0.041 0.000 0.888 114 H CB -1.242 28.506 29.762 -0.023 0.000 1.321 114 H HN 0.587 nan 8.280 nan 0.000 0.330 115 F N 5.423 125.025 119.950 -0.581 0.000 2.911 115 F HA 0.310 3.513 4.527 -2.208 0.000 0.349 115 F C -1.586 174.091 175.800 -0.204 0.000 1.222 115 F CA -0.135 57.708 58.000 -0.262 0.000 1.164 115 F CB 0.921 39.815 39.000 -0.177 0.000 1.454 115 F HN 0.518 nan 8.300 nan 0.000 0.616 116 E N 4.949 124.883 120.200 -0.444 0.000 2.343 116 E HA 0.416 3.386 4.350 -2.300 0.000 0.270 116 E C -1.836 174.588 176.600 -0.292 0.000 0.895 116 E CA -1.255 55.000 56.400 -0.241 0.000 0.767 116 E CB 2.456 32.081 29.700 -0.123 0.000 1.248 116 E HN 0.473 nan 8.360 nan 0.000 0.440 117 K N 3.395 123.687 120.400 -0.180 0.000 2.281 117 K HA 0.270 3.210 4.320 -2.300 0.000 0.272 117 K C -0.760 175.727 176.600 -0.187 0.000 1.048 117 K CA -0.636 55.458 56.287 -0.322 0.000 0.898 117 K CB 0.585 32.899 32.500 -0.309 0.000 1.128 117 K HN 0.500 nan 8.250 nan 0.000 0.460 118 I N 3.295 123.749 120.570 -0.193 0.000 2.498 118 I HA 0.252 3.042 4.170 -2.300 0.000 0.301 118 I C 0.323 176.414 176.117 -0.043 0.000 0.984 118 I CA -0.733 60.519 61.300 -0.080 0.000 1.204 118 I CB 1.459 39.399 38.000 -0.100 0.000 1.362 118 I HN 0.492 nan 8.210 nan 0.000 0.471 119 K N 5.894 126.246 120.400 -0.081 0.000 2.267 119 K HA 0.375 3.315 4.320 -2.300 0.000 0.282 119 K C 0.730 177.119 176.600 -0.352 0.000 1.078 119 K CA -0.252 55.806 56.287 -0.380 0.000 0.903 119 K CB 0.605 32.875 32.500 -0.383 0.000 1.111 119 K HN 0.684 nan 8.250 nan 0.000 0.475 120 I N 1.503 121.795 120.570 -0.463 0.000 3.939 120 I HA 0.176 2.966 4.170 -2.300 0.000 0.313 120 I C -0.104 175.771 176.117 -0.403 0.000 1.274 120 I CA -0.153 60.801 61.300 -0.576 0.000 1.301 120 I CB 0.419 37.760 38.000 -1.098 0.000 1.105 120 I HN 0.371 nan 8.210 nan 0.000 0.427 121 L N 3.262 124.273 121.223 -0.354 0.000 2.475 121 L HA 0.526 3.486 4.340 -2.300 0.000 0.253 121 L C -2.579 174.130 176.870 -0.270 0.000 1.483 121 L CA -1.532 53.137 54.840 -0.285 0.000 0.869 121 L CB 1.129 43.047 42.059 -0.235 0.000 1.086 121 L HN -0.125 nan 8.230 nan 0.000 0.514 122 P HA -0.000 nan 4.420 nan 0.000 0.263 122 P C 0.692 177.915 177.300 -0.129 0.000 1.168 122 P CA 0.358 63.340 63.100 -0.196 0.000 0.759 122 P CB 0.673 32.277 31.700 -0.161 0.000 0.782 123 R N 2.829 123.321 120.500 -0.013 0.000 2.112 123 R HA -0.196 2.764 4.340 -2.300 0.000 0.242 123 R C 1.600 177.983 176.300 0.140 0.000 1.137 123 R CA 2.172 58.361 56.100 0.147 0.000 0.944 123 R CB -0.595 29.775 30.300 0.117 0.000 0.857 123 R HN 0.656 nan 8.270 nan 0.000 0.435 124 D N 0.056 120.481 120.400 0.041 0.000 2.350 124 D HA -0.179 3.081 4.640 -2.300 0.000 0.216 124 D C 1.260 177.559 176.300 -0.001 0.000 0.968 124 D CA 0.931 54.952 54.000 0.035 0.000 0.894 124 D CB -0.250 40.556 40.800 0.009 0.000 0.909 124 D HN 0.367 nan 8.370 nan 0.000 0.520 125 Q N -0.768 118.973 119.800 -0.097 0.000 2.432 125 Q HA 0.002 2.962 4.340 -2.300 0.000 0.205 125 Q C 0.035 175.931 176.000 -0.173 0.000 0.945 125 Q CA 0.014 55.711 55.803 -0.176 0.000 0.924 125 Q CB 0.010 28.576 28.738 -0.287 0.000 1.016 125 Q HN 0.419 nan 8.270 nan 0.000 0.503 126 W N 1.170 122.444 121.300 -0.044 0.000 2.160 126 W HA 0.011 3.283 4.660 -2.314 0.000 0.464 126 W C 1.521 178.047 176.519 0.012 0.000 0.914 126 W CA 0.012 57.331 57.345 -0.043 0.000 1.742 126 W CB 0.314 29.722 29.460 -0.088 0.000 1.780 126 W HN 0.007 nan 8.180 nan 0.000 0.307 127 T N 0.163 114.841 114.554 0.206 0.000 3.035 127 T HA -0.113 2.857 4.350 -2.300 0.000 0.259 127 T C 1.368 176.138 174.700 0.117 0.000 1.078 127 T CA 1.114 63.288 62.100 0.123 0.000 1.132 127 T CB 0.246 69.150 68.868 0.060 0.000 0.900 127 T HN 0.402 nan 8.240 nan 0.000 0.480 128 Q N 0.144 120.054 119.800 0.184 0.000 2.320 128 Q HA 0.206 3.166 4.340 -2.300 0.000 0.201 128 Q C -0.140 175.733 176.000 -0.213 0.000 0.910 128 Q CA 0.113 55.928 55.803 0.020 0.000 0.946 128 Q CB 0.308 29.042 28.738 -0.006 0.000 1.062 128 Q HN 0.678 nan 8.270 nan 0.000 0.503 129 H N -1.186 117.846 119.070 -0.063 0.000 2.894 129 H HA 0.319 3.498 4.556 -2.296 0.000 0.368 129 H C -0.579 174.683 175.328 -0.110 0.000 1.181 129 H CA -0.816 55.131 56.048 -0.169 0.000 1.146 129 H CB 1.989 31.565 29.762 -0.310 0.000 1.839 129 H HN -0.131 nan 8.280 nan 0.000 0.557 130 T N 0.880 115.420 114.554 -0.023 0.000 2.856 130 T HA 0.128 3.098 4.350 -2.300 0.000 0.292 130 T C 0.933 175.594 174.700 -0.065 0.000 0.980 130 T CA -0.042 62.026 62.100 -0.053 0.000 1.091 130 T CB 1.166 69.974 68.868 -0.101 0.000 0.936 130 T HN 0.570 nan 8.240 nan 0.000 0.503 131 T N 1.088 115.616 114.554 -0.043 0.000 2.978 131 T HA 0.023 2.993 4.350 -2.300 0.000 0.248 131 T C 2.151 176.832 174.700 -0.031 0.000 1.018 131 T CA 0.339 62.424 62.100 -0.024 0.000 1.026 131 T CB 0.087 68.984 68.868 0.047 0.000 1.032 131 T HN 0.785 nan 8.240 nan 0.000 0.485 132 T N 0.288 114.809 114.554 -0.055 0.000 3.160 132 T HA 0.210 3.181 4.350 -2.300 0.000 0.257 132 T C 1.312 175.938 174.700 -0.124 0.000 1.147 132 T CA -0.073 61.996 62.100 -0.051 0.000 1.064 132 T CB -0.549 68.292 68.868 -0.046 0.000 0.949 132 T HN 0.309 nan 8.240 nan 0.000 0.526 133 G N 0.451 109.102 108.800 -0.247 0.000 2.138 133 G HA2 0.427 3.008 3.960 -2.300 0.000 0.244 133 G HA3 0.427 3.008 3.960 -2.300 0.000 0.244 133 G C 0.308 174.988 174.900 -0.368 0.000 1.166 133 G CA -0.121 44.681 45.100 -0.495 0.000 0.902 133 G HN 0.660 nan 8.290 nan 0.000 0.460 134 G N -0.304 108.308 108.800 -0.314 0.000 3.176 134 G HA2 0.751 3.332 3.960 -2.300 0.000 0.272 134 G HA3 0.751 3.332 3.960 -2.300 0.000 0.272 134 G C -0.874 174.045 174.900 0.031 0.000 1.349 134 G CA 0.128 45.197 45.100 -0.052 0.000 0.953 134 G HN 1.291 nan 8.290 nan 0.000 0.559 135 S N -2.087 113.724 115.700 0.186 0.000 2.543 135 S HA 0.379 3.470 4.470 -2.300 0.000 0.274 135 S C 0.534 175.237 174.600 0.171 0.000 1.149 135 S CA -0.461 57.889 58.200 0.250 0.000 0.866 135 S CB 2.005 65.529 63.200 0.540 0.000 1.111 135 S HN 0.645 nan 8.310 nan 0.000 0.457 136 R N 2.575 123.148 120.500 0.122 0.000 2.237 136 R HA 0.201 3.161 4.340 -2.300 0.000 0.219 136 R C 1.917 178.259 176.300 0.070 0.000 1.080 136 R CA 1.972 58.116 56.100 0.074 0.000 0.995 136 R CB -0.604 29.725 30.300 0.049 0.000 0.875 136 R HN 0.683 nan 8.270 nan 0.000 0.462 137 A N -1.264 121.616 122.820 0.100 0.000 2.016 137 A HA -0.027 2.913 4.320 -2.300 0.000 0.217 137 A C 1.103 178.714 177.584 0.045 0.000 1.162 137 A CA 0.963 53.036 52.037 0.060 0.000 0.662 137 A CB -0.111 18.908 19.000 0.032 0.000 0.812 137 A HN 0.379 nan 8.150 nan 0.000 0.450 138 c N 1.058 119.700 118.600 0.070 0.000 2.508 138 c HA 0.670 3.860 4.570 -2.300 0.000 0.330 138 c C 0.988 175.086 174.090 0.014 0.000 1.435 138 c CA -0.849 55.469 56.329 -0.018 0.000 1.712 138 c CB -1.723 40.720 42.510 -0.112 0.000 2.741 138 c HN 0.580 nan 8.230 nan 0.000 0.562 139 A N 1.178 124.011 122.820 0.021 0.000 2.331 139 A HA 0.704 3.644 4.320 -2.300 0.000 0.283 139 A C 0.297 177.890 177.584 0.016 0.000 1.142 139 A CA -0.086 51.967 52.037 0.027 0.000 0.812 139 A CB 0.484 19.501 19.000 0.027 0.000 1.074 139 A HN 0.657 nan 8.150 nan 0.000 0.497 143 N N 1.622 120.331 118.700 0.015 0.000 2.513 143 N HA 0.491 3.851 4.740 -2.300 0.000 0.274 143 N C -2.672 172.854 175.510 0.026 0.000 1.189 143 N CA -1.479 51.580 53.050 0.016 0.000 0.975 143 N CB 1.268 39.763 38.487 0.014 0.000 1.157 143 N HN -0.018 nan 8.380 nan 0.000 0.465 144 P HA 0.137 nan 4.420 nan 0.000 0.276 144 P C -0.344 176.997 177.300 0.068 0.000 1.243 144 P CA 0.044 63.174 63.100 0.050 0.000 0.768 144 P CB 0.946 32.668 31.700 0.036 0.000 0.856 145 S N 3.106 118.864 115.700 0.096 0.000 2.841 145 S HA 0.835 3.925 4.470 -2.300 0.000 0.274 145 S C -1.282 173.474 174.600 0.260 0.000 1.044 145 S CA -0.389 57.891 58.200 0.132 0.000 0.952 145 S CB 0.309 63.560 63.200 0.085 0.000 1.331 145 S HN 0.283 nan 8.310 nan 0.000 0.610 146 F N -0.321 119.636 119.950 0.012 0.000 2.770 146 F HA 0.459 3.608 4.527 -2.296 0.000 0.313 146 F C -1.780 174.010 175.800 -0.018 0.000 1.154 146 F CA -1.595 56.399 58.000 -0.010 0.000 0.923 146 F CB 0.390 39.480 39.000 0.150 0.000 1.301 146 F HN 0.580 nan 8.300 nan 0.000 0.449 147 F N 4.795 124.251 119.950 -0.822 0.000 2.512 147 F HA 0.020 3.169 4.527 -2.296 0.000 0.406 147 F C 1.704 177.383 175.800 -0.202 0.000 0.990 147 F CA 0.463 58.134 58.000 -0.547 0.000 1.137 147 F CB 0.268 38.794 39.000 -0.790 0.000 0.960 147 F HN 0.353 nan 8.300 nan 0.000 0.533 148 R N 1.855 122.405 120.500 0.083 0.000 2.193 148 R HA -0.154 2.806 4.340 -2.300 0.000 0.229 148 R C 1.138 177.534 176.300 0.160 0.000 1.110 148 R CA 1.060 57.228 56.100 0.113 0.000 0.988 148 R CB -0.179 30.157 30.300 0.060 0.000 0.871 148 R HN 0.580 nan 8.270 nan 0.000 0.458 149 N N -0.601 118.182 118.700 0.139 0.000 2.373 149 N HA 0.054 3.414 4.740 -2.300 0.000 0.181 149 N C 0.234 175.887 175.510 0.239 0.000 1.082 149 N CA 0.678 53.855 53.050 0.212 0.000 0.885 149 N CB 0.355 38.909 38.487 0.112 0.000 0.977 149 N HN 0.046 nan 8.380 nan 0.000 0.462 150 M N 0.205 119.934 119.600 0.214 0.000 2.654 150 M HA 0.427 3.527 4.480 -2.300 0.000 0.310 150 M C -0.313 176.214 176.300 0.379 0.000 1.211 150 M CA -0.964 54.492 55.300 0.260 0.000 0.947 150 M CB 1.781 34.530 32.600 0.248 0.000 1.647 150 M HN -0.416 nan 8.290 nan 0.000 0.481 151 V N 1.059 121.160 119.914 0.312 0.000 2.483 151 V HA 0.292 3.032 4.120 -2.300 0.000 0.297 151 V C -1.266 174.928 176.094 0.168 0.000 1.027 151 V CA -0.721 61.722 62.300 0.239 0.000 0.855 151 V CB 2.196 34.079 31.823 0.100 0.000 0.995 151 V HN 0.853 nan 8.190 nan 0.000 0.424 152 W N 6.998 128.223 121.300 -0.124 0.000 2.365 152 W HA 0.477 3.757 4.660 -2.299 0.000 0.371 152 W C -0.519 175.858 176.519 -0.236 0.000 1.006 152 W CA -1.515 55.652 57.345 -0.297 0.000 1.528 152 W CB 0.432 29.481 29.460 -0.685 0.000 1.497 152 W HN 0.452 nan 8.180 nan 0.000 0.367 153 L N 7.059 128.336 121.223 0.091 0.000 2.433 153 L HA 0.161 3.121 4.340 -2.300 0.000 0.275 153 L C 1.138 178.147 176.870 0.232 0.000 1.128 153 L CA 0.337 55.131 54.840 -0.077 0.000 0.875 153 L CB 0.098 41.896 42.059 -0.435 0.000 1.171 153 L HN 0.283 nan 8.230 nan 0.000 0.463 154 T N -0.086 114.513 114.554 0.075 0.000 2.910 154 T HA 0.457 3.427 4.350 -2.300 0.000 0.287 154 T C -0.345 174.405 174.700 0.084 0.000 1.050 154 T CA -1.229 60.940 62.100 0.116 0.000 1.011 154 T CB 1.712 70.429 68.868 -0.250 0.000 1.195 154 T HN 0.531 nan 8.240 nan 0.000 0.540 155 K N 0.386 120.864 120.400 0.130 0.000 2.319 155 K HA 0.304 3.244 4.320 -2.300 0.000 0.265 155 K C -0.355 176.198 176.600 -0.079 0.000 1.000 155 K CA -0.762 55.552 56.287 0.045 0.000 0.943 155 K CB 0.630 33.195 32.500 0.108 0.000 0.950 155 K HN 0.601 nan 8.250 nan 0.000 0.485 156 K N 1.704 122.029 120.400 -0.126 0.000 2.367 156 K HA 0.217 3.157 4.320 -2.300 0.000 0.263 156 K C 0.177 176.730 176.600 -0.079 0.000 1.000 156 K CA 0.305 56.528 56.287 -0.107 0.000 0.891 156 K CB 0.805 33.228 32.500 -0.128 0.000 1.117 156 K HN 0.961 nan 8.250 nan 0.000 0.443 157 G N 2.507 111.270 108.800 -0.061 0.000 2.543 157 G HA2 -0.357 2.223 3.960 -2.300 0.000 0.286 157 G HA3 -0.357 2.223 3.960 -2.300 0.000 0.286 157 G C 0.269 175.147 174.900 -0.037 0.000 1.153 157 G CA 0.494 45.567 45.100 -0.046 0.000 0.968 157 G HN 0.789 nan 8.290 nan 0.000 0.544 158 S N 0.379 116.064 115.700 -0.026 0.000 2.601 158 S HA 0.493 3.583 4.470 -2.300 0.000 0.244 158 S C 0.183 174.786 174.600 0.005 0.000 1.001 158 S CA 0.496 58.690 58.200 -0.010 0.000 0.984 158 S CB -0.181 63.015 63.200 -0.007 0.000 0.842 158 S HN 0.737 nan 8.310 nan 0.000 0.474 159 N N 0.518 119.214 118.700 -0.007 0.000 2.238 159 N HA 0.415 3.775 4.740 -2.300 0.000 0.302 159 N C -2.164 173.349 175.510 0.005 0.000 1.072 159 N CA -0.708 52.345 53.050 0.005 0.000 0.792 159 N CB 1.742 40.213 38.487 -0.027 0.000 1.425 159 N HN 0.356 nan 8.380 nan 0.000 0.478 160 Y N 2.589 122.843 120.300 -0.076 0.000 2.594 160 Y HA 0.384 3.554 4.550 -2.302 0.000 0.338 160 Y C -2.558 173.306 175.900 -0.060 0.000 1.019 160 Y CA -1.842 56.199 58.100 -0.098 0.000 1.306 160 Y CB 0.822 39.309 38.460 0.045 0.000 1.094 160 Y HN 0.460 nan 8.280 nan 0.000 0.534 161 P HA 0.087 nan 4.420 nan 0.000 0.274 161 P C -0.616 176.840 177.300 0.260 0.000 1.256 161 P CA -0.326 62.814 63.100 0.067 0.000 0.795 161 P CB 0.945 32.630 31.700 -0.025 0.000 1.038 162 V N 0.532 120.588 119.914 0.237 0.000 2.475 162 V HA 0.142 2.882 4.120 -2.300 0.000 0.292 162 V C 0.880 177.147 176.094 0.288 0.000 1.003 162 V CA 0.241 62.690 62.300 0.248 0.000 1.120 162 V CB -0.798 31.131 31.823 0.176 0.000 0.937 162 V HN 0.674 nan 8.190 nan 0.000 0.476 163 A N 6.168 129.145 122.820 0.261 0.000 2.309 163 A HA 0.640 3.581 4.320 -2.300 0.000 0.290 163 A C 0.200 177.937 177.584 0.255 0.000 1.206 163 A CA -0.402 51.719 52.037 0.140 0.000 0.850 163 A CB 0.201 19.006 19.000 -0.324 0.000 1.118 163 A HN 0.865 nan 8.150 nan 0.000 0.523 164 K N 3.263 123.856 120.400 0.320 0.000 2.731 164 K HA 0.433 3.373 4.320 -2.300 0.000 0.257 164 K C -1.002 175.677 176.600 0.133 0.000 1.032 164 K CA -0.282 56.141 56.287 0.228 0.000 0.983 164 K CB 0.800 33.395 32.500 0.158 0.000 1.248 164 K HN 0.830 nan 8.250 nan 0.000 0.484 165 R N 1.276 121.860 120.500 0.140 0.000 2.837 165 R HA 0.552 3.512 4.340 -2.300 0.000 0.271 165 R C -0.877 175.506 176.300 0.139 0.000 0.993 165 R CA -0.905 55.190 56.100 -0.009 0.000 0.931 165 R CB 2.249 32.347 30.300 -0.337 0.000 1.206 165 R HN 0.763 nan 8.270 nan 0.000 0.474 166 S N 0.077 115.830 115.700 0.088 0.000 2.745 166 S HA 0.611 3.701 4.470 -2.300 0.000 0.306 166 S C -1.531 173.182 174.600 0.189 0.000 1.137 166 S CA -0.875 57.408 58.200 0.138 0.000 0.900 166 S CB 1.783 65.017 63.200 0.057 0.000 1.176 166 S HN 0.658 nan 8.310 nan 0.000 0.520 167 Y N 1.191 121.517 120.300 0.042 0.000 2.313 167 Y HA 0.460 3.657 4.550 -2.255 0.000 0.320 167 Y C -1.377 174.538 175.900 0.025 0.000 1.171 167 Y CA -0.704 57.413 58.100 0.029 0.000 1.093 167 Y CB 1.129 39.620 38.460 0.053 0.000 1.224 167 Y HN 0.851 nan 8.280 nan 0.000 0.421 168 N N 4.613 122.903 118.700 -0.683 0.000 2.430 168 N HA 0.068 3.428 4.740 -2.300 0.000 0.265 168 N C -0.707 174.251 175.510 -0.919 0.000 1.100 168 N CA 0.035 52.759 53.050 -0.544 0.000 0.961 168 N CB 0.690 39.045 38.487 -0.221 0.000 1.075 168 N HN 0.772 nan 8.380 nan 0.000 0.478 169 N N 2.564 120.947 118.700 -0.529 0.000 2.498 169 N HA -0.023 3.337 4.740 -2.300 0.000 0.277 169 N C 0.463 175.716 175.510 -0.428 0.000 1.208 169 N CA 0.051 52.893 53.050 -0.347 0.000 1.029 169 N CB -0.120 38.302 38.487 -0.108 0.000 1.403 169 N HN 0.575 nan 8.380 nan 0.000 0.500 170 T N -1.577 112.753 114.554 -0.374 0.000 3.086 170 T HA -0.040 2.930 4.350 -2.300 0.000 0.250 170 T C 1.647 176.089 174.700 -0.429 0.000 1.074 170 T CA 0.365 62.196 62.100 -0.448 0.000 0.988 170 T CB -0.304 68.536 68.868 -0.047 0.000 0.988 170 T HN 0.324 nan 8.240 nan 0.000 0.530 171 S N 1.090 116.631 115.700 -0.266 0.000 2.537 171 S HA 0.233 3.323 4.470 -2.300 0.000 0.240 171 S C 2.174 176.649 174.600 -0.207 0.000 0.981 171 S CA 0.832 58.943 58.200 -0.149 0.000 0.948 171 S CB -1.099 62.071 63.200 -0.050 0.000 0.759 171 S HN 1.241 nan 8.310 nan 0.000 0.531 172 G N -0.095 108.462 108.800 -0.406 0.000 2.199 172 G HA2 -0.236 2.344 3.960 -2.300 0.000 0.254 172 G HA3 -0.236 2.344 3.960 -2.300 0.000 0.254 172 G C -0.145 174.628 174.900 -0.211 0.000 0.982 172 G CA 0.369 45.278 45.100 -0.318 0.000 0.632 172 G HN 0.633 nan 8.290 nan 0.000 0.529 173 E N -0.246 119.851 120.200 -0.172 0.000 2.343 173 E HA 0.441 3.411 4.350 -2.300 0.000 0.270 173 E C -0.077 176.487 176.600 -0.060 0.000 0.895 173 E CA -0.814 55.533 56.400 -0.087 0.000 0.767 173 E CB 1.462 31.142 29.700 -0.034 0.000 1.248 173 E HN 0.274 nan 8.360 nan 0.000 0.440 174 Q N 2.014 121.805 119.800 -0.014 0.000 2.310 174 Q HA -0.013 2.947 4.340 -2.300 0.000 0.315 174 Q C -0.875 175.161 176.000 0.060 0.000 1.081 174 Q CA 0.923 56.745 55.803 0.031 0.000 0.981 174 Q CB 0.471 29.247 28.738 0.062 0.000 1.184 174 Q HN 0.407 nan 8.270 nan 0.000 0.389 175 M N 5.054 124.710 119.600 0.093 0.000 2.259 175 M HA 0.337 3.438 4.480 -2.300 0.000 0.304 175 M C -1.726 174.691 176.300 0.195 0.000 1.019 175 M CA -1.028 54.344 55.300 0.120 0.000 0.922 175 M CB 1.158 33.827 32.600 0.116 0.000 1.600 175 M HN 0.633 nan 8.290 nan 0.000 0.433 176 L N 6.751 128.110 121.223 0.227 0.000 2.331 176 L HA 0.619 3.579 4.340 -2.300 0.000 0.278 176 L C -1.592 175.500 176.870 0.370 0.000 1.106 176 L CA 0.318 55.347 54.840 0.315 0.000 0.824 176 L CB 0.559 42.779 42.059 0.269 0.000 1.142 176 L HN 0.714 nan 8.230 nan 0.000 0.443 177 I N 6.221 127.046 120.570 0.426 0.000 2.619 177 I HA 0.421 3.211 4.170 -2.300 0.000 0.292 177 I C -0.809 175.634 176.117 0.544 0.000 1.100 177 I CA -0.504 61.063 61.300 0.444 0.000 1.043 177 I CB 2.056 40.316 38.000 0.434 0.000 1.239 177 I HN 0.531 nan 8.210 nan 0.000 0.420 178 I N 4.868 125.725 120.570 0.478 0.000 2.509 178 I HA 0.477 3.267 4.170 -2.300 0.000 0.293 178 I C -1.056 175.331 176.117 0.451 0.000 1.020 178 I CA -0.513 61.013 61.300 0.377 0.000 1.088 178 I CB 1.793 39.942 38.000 0.249 0.000 1.267 178 I HN 0.660 nan 8.210 nan 0.000 0.430 179 W N 4.330 125.783 121.300 0.255 0.000 3.040 179 W HA 0.928 4.194 4.660 -2.322 0.000 0.344 179 W C -0.774 175.802 176.519 0.094 0.000 1.201 179 W CA -0.941 56.518 57.345 0.190 0.000 1.119 179 W CB 0.967 30.607 29.460 0.300 0.000 1.478 179 W HN 0.585 nan 8.180 nan 0.000 0.586 180 G N 0.604 109.445 108.800 0.067 0.000 2.695 180 G HA2 0.664 3.245 3.960 -2.300 0.000 0.290 180 G HA3 0.664 3.245 3.960 -2.300 0.000 0.290 180 G C -2.361 172.366 174.900 -0.287 0.000 1.410 180 G CA -1.149 43.679 45.100 -0.454 0.000 0.844 180 G HN 1.013 nan 8.290 nan 0.000 0.478 181 I N -0.250 120.026 120.570 -0.490 0.000 2.608 181 I HA 0.499 3.289 4.170 -2.300 0.000 0.295 181 I C -0.980 174.764 176.117 -0.621 0.000 1.049 181 I CA -0.999 60.055 61.300 -0.411 0.000 1.063 181 I CB 2.220 40.054 38.000 -0.276 0.000 1.248 181 I HN 0.657 nan 8.210 nan 0.000 0.424 182 H N 6.951 125.690 119.070 -0.551 0.000 2.467 182 H HA 0.311 3.487 4.556 -2.300 0.000 0.326 182 H C -1.802 173.392 175.328 -0.223 0.000 1.094 182 H CA -0.464 55.310 56.048 -0.457 0.000 1.253 182 H CB 1.106 30.688 29.762 -0.301 0.000 1.439 182 H HN 0.483 nan 8.280 nan 0.000 0.479 183 Y N 5.773 125.783 120.300 -0.483 0.000 2.491 183 Y HA 0.267 3.440 4.550 -2.295 0.000 0.334 183 Y C -2.123 173.489 175.900 -0.481 0.000 0.969 183 Y CA -3.121 54.757 58.100 -0.370 0.000 1.241 183 Y CB 0.796 39.161 38.460 -0.158 0.000 1.105 183 Y HN 0.615 nan 8.280 nan 0.000 0.503 184 P HA 0.054 nan 4.420 nan 0.000 0.271 184 P C 0.645 177.980 177.300 0.058 0.000 1.244 184 P CA 0.073 63.151 63.100 -0.037 0.000 0.793 184 P CB 1.041 32.816 31.700 0.125 0.000 0.984 185 N N 0.052 118.817 118.700 0.108 0.000 2.354 185 N HA -0.059 3.302 4.740 -2.300 0.000 0.179 185 N C -0.384 175.161 175.510 0.058 0.000 1.021 185 N CA 0.783 53.884 53.050 0.085 0.000 0.887 185 N CB -0.024 38.522 38.487 0.098 0.000 0.974 185 N HN 0.532 nan 8.380 nan 0.000 0.437 186 D N -3.573 116.865 120.400 0.062 0.000 2.692 186 D HA 0.183 3.443 4.640 -2.300 0.000 0.290 186 D C -0.352 175.978 176.300 0.051 0.000 1.281 186 D CA -0.641 53.386 54.000 0.045 0.000 0.804 186 D CB 0.111 40.934 40.800 0.039 0.000 1.331 186 D HN -0.336 nan 8.370 nan 0.000 0.432 187 D N -0.613 119.810 120.400 0.038 0.000 2.182 187 D HA -0.127 3.133 4.640 -2.300 0.000 0.201 187 D C 1.965 178.290 176.300 0.041 0.000 0.986 187 D CA 2.446 56.470 54.000 0.040 0.000 0.847 187 D CB -0.323 40.493 40.800 0.027 0.000 0.942 187 D HN 0.638 nan 8.370 nan 0.000 0.467 188 T N -1.237 113.337 114.554 0.034 0.000 2.701 188 T HA -0.148 2.822 4.350 -2.300 0.000 0.263 188 T C 1.847 176.563 174.700 0.027 0.000 1.040 188 T CA 1.297 63.413 62.100 0.025 0.000 1.147 188 T CB -0.426 68.453 68.868 0.018 0.000 0.865 188 T HN 0.177 nan 8.240 nan 0.000 0.426 189 E N 0.850 121.076 120.200 0.043 0.000 2.160 189 E HA -0.298 2.672 4.350 -2.300 0.000 0.195 189 E C 2.381 179.014 176.600 0.054 0.000 0.991 189 E CA 1.366 57.797 56.400 0.051 0.000 0.810 189 E CB -0.193 29.566 29.700 0.099 0.000 0.742 189 E HN 0.633 nan 8.360 nan 0.000 0.466 190 Q N 0.902 120.760 119.800 0.097 0.000 2.050 190 Q HA -0.162 2.798 4.340 -2.300 0.000 0.202 190 Q C 2.048 178.103 176.000 0.091 0.000 0.980 190 Q CA 1.930 57.832 55.803 0.165 0.000 0.840 190 Q CB -0.058 28.777 28.738 0.162 0.000 0.898 190 Q HN 0.204 nan 8.270 nan 0.000 0.424 191 R N -0.579 119.949 120.500 0.047 0.000 2.092 191 R HA -0.079 2.881 4.340 -2.300 0.000 0.231 191 R C 2.461 178.745 176.300 -0.026 0.000 1.119 191 R CA 1.644 57.758 56.100 0.023 0.000 0.970 191 R CB -0.618 29.695 30.300 0.021 0.000 0.864 191 R HN 0.510 nan 8.270 nan 0.000 0.440 192 T N -0.777 113.741 114.554 -0.059 0.000 3.035 192 T HA -0.011 2.959 4.350 -2.300 0.000 0.268 192 T C 1.611 176.197 174.700 -0.189 0.000 1.109 192 T CA 0.668 62.710 62.100 -0.096 0.000 1.119 192 T CB 0.119 68.938 68.868 -0.082 0.000 0.900 192 T HN -0.029 nan 8.240 nan 0.000 0.503 193 L N -0.808 120.216 121.223 -0.331 0.000 2.316 193 L HA 0.409 3.369 4.340 -2.300 0.000 0.207 193 L C 1.350 177.863 176.870 -0.594 0.000 1.070 193 L CA 1.175 55.618 54.840 -0.662 0.000 0.820 193 L CB -0.332 41.014 42.059 -1.188 0.000 0.992 193 L HN 0.409 nan 8.230 nan 0.000 0.466 194 Y N -3.046 117.271 120.300 0.030 0.000 2.471 194 Y HA 0.176 3.346 4.550 -2.301 0.000 0.249 194 Y C 1.392 177.262 175.900 -0.051 0.000 1.116 194 Y CA -0.355 57.709 58.100 -0.061 0.000 1.240 194 Y CB 0.547 38.867 38.460 -0.234 0.000 1.251 194 Y HN -0.038 nan 8.280 nan 0.000 0.527 195 Q N -0.184 119.667 119.800 0.085 0.000 2.454 195 Q HA -0.263 2.697 4.340 -2.300 0.000 0.167 195 Q C -0.721 175.312 176.000 0.054 0.000 2.377 195 Q CA 1.980 57.821 55.803 0.063 0.000 0.877 195 Q CB -1.656 27.131 28.738 0.082 0.000 0.837 195 Q HN 0.644 nan 8.270 nan 0.000 0.783 196 N N -0.862 117.866 118.700 0.047 0.000 2.477 196 N HA 0.469 3.829 4.740 -2.300 0.000 0.284 196 N C 0.949 176.478 175.510 0.032 0.000 1.182 196 N CA -0.041 53.026 53.050 0.027 0.000 0.949 196 N CB 1.572 40.059 38.487 -0.001 0.000 1.204 196 N HN -0.115 nan 8.380 nan 0.000 0.526 197 V N -0.199 119.732 119.914 0.029 0.000 2.602 197 V HA 0.177 2.917 4.120 -2.300 0.000 0.235 197 V C 1.481 177.590 176.094 0.025 0.000 1.087 197 V CA 0.722 63.042 62.300 0.032 0.000 1.117 197 V CB -0.519 31.323 31.823 0.031 0.000 0.820 197 V HN 0.867 nan 8.190 nan 0.000 0.490 198 G N 3.144 111.964 108.800 0.033 0.000 3.197 198 G HA2 0.284 2.864 3.960 -2.300 0.000 0.257 198 G HA3 0.284 2.864 3.960 -2.300 0.000 0.257 198 G C 0.501 175.447 174.900 0.076 0.000 0.835 198 G CA 0.537 45.665 45.100 0.047 0.000 2.001 198 G HN 0.549 nan 8.290 nan 0.000 0.625 199 T N -1.099 113.471 114.554 0.026 0.000 2.788 199 T HA 0.637 3.608 4.350 -2.300 0.000 0.280 199 T C -0.247 174.513 174.700 0.100 0.000 0.984 199 T CA -0.485 61.603 62.100 -0.020 0.000 0.972 199 T CB 1.206 69.948 68.868 -0.210 0.000 1.039 199 T HN 0.827 nan 8.240 nan 0.000 0.530 200 Y N -2.928 117.333 120.300 -0.065 0.000 2.604 200 Y HA 0.661 3.831 4.550 -2.299 0.000 0.331 200 Y C -1.965 173.918 175.900 -0.027 0.000 1.158 200 Y CA -1.662 56.420 58.100 -0.031 0.000 1.056 200 Y CB 0.723 39.177 38.460 -0.010 0.000 1.330 200 Y HN 0.533 nan 8.280 nan 0.000 0.457 201 V N 2.566 122.526 119.914 0.077 0.000 2.540 201 V HA 0.701 3.441 4.120 -2.300 0.000 0.302 201 V C -0.749 175.433 176.094 0.146 0.000 1.035 201 V CA -0.399 61.914 62.300 0.022 0.000 0.873 201 V CB 1.644 33.493 31.823 0.043 0.000 0.992 201 V HN 0.864 nan 8.190 nan 0.000 0.428 202 S N 4.429 120.193 115.700 0.107 0.000 2.594 202 S HA 0.838 3.928 4.470 -2.300 0.000 0.296 202 S C -1.236 173.278 174.600 -0.144 0.000 1.124 202 S CA -0.415 57.829 58.200 0.073 0.000 1.011 202 S CB 1.542 64.877 63.200 0.224 0.000 1.016 202 S HN 0.492 nan 8.310 nan 0.000 0.485 203 V N 3.324 123.055 119.914 -0.305 0.000 2.709 203 V HA 0.931 3.671 4.120 -2.300 0.000 0.308 203 V C 0.449 176.286 176.094 -0.427 0.000 1.062 203 V CA -0.341 61.577 62.300 -0.637 0.000 0.901 203 V CB 1.812 32.883 31.823 -1.254 0.000 1.003 203 V HN 1.102 nan 8.190 nan 0.000 0.425 204 G N 1.430 109.982 108.800 -0.414 0.000 2.746 204 G HA2 0.717 3.297 3.960 -2.300 0.000 0.297 204 G HA3 0.717 3.297 3.960 -2.300 0.000 0.297 204 G C -0.616 174.163 174.900 -0.202 0.000 1.426 204 G CA 0.232 45.192 45.100 -0.234 0.000 0.989 204 G HN 0.916 nan 8.290 nan 0.000 0.520 205 T N -2.115 112.367 114.554 -0.120 0.000 2.572 205 T HA 0.545 3.515 4.350 -2.300 0.000 0.244 205 T C 1.510 176.187 174.700 -0.037 0.000 0.860 205 T CA 0.545 62.603 62.100 -0.069 0.000 1.125 205 T CB 0.956 69.803 68.868 -0.034 0.000 1.491 205 T HN 0.267 nan 8.240 nan 0.000 0.532 206 S N 0.671 116.364 115.700 -0.011 0.000 2.406 206 S HA 0.023 3.113 4.470 -2.300 0.000 0.228 206 S C 2.019 176.619 174.600 0.001 0.000 1.020 206 S CA 1.736 59.936 58.200 -0.000 0.000 0.965 206 S CB -0.608 62.602 63.200 0.016 0.000 0.798 206 S HN 0.953 nan 8.310 nan 0.000 0.488 207 T N -1.593 112.963 114.554 0.004 0.000 2.987 207 T HA 0.343 3.313 4.350 -2.300 0.000 0.248 207 T C 0.348 175.049 174.700 0.001 0.000 0.997 207 T CA -0.336 61.769 62.100 0.008 0.000 1.013 207 T CB -0.274 68.607 68.868 0.021 0.000 1.077 207 T HN 0.139 nan 8.240 nan 0.000 0.483 208 L N 2.894 124.114 121.223 -0.004 0.000 2.418 208 L HA 0.699 3.659 4.340 -2.300 0.000 0.265 208 L C -0.690 176.159 176.870 -0.036 0.000 1.143 208 L CA -0.096 54.738 54.840 -0.010 0.000 0.809 208 L CB 1.028 43.088 42.059 0.002 0.000 1.124 208 L HN 0.426 nan 8.230 nan 0.000 0.456 209 N N 2.561 121.244 118.700 -0.029 0.000 3.357 209 N HA 0.225 3.586 4.740 -2.300 0.000 0.206 209 N C -1.749 173.752 175.510 -0.016 0.000 1.458 209 N CA -0.515 52.512 53.050 -0.038 0.000 0.776 209 N CB 0.313 38.785 38.487 -0.025 0.000 1.626 209 N HN 0.684 nan 8.380 nan 0.000 0.644 210 K N 1.796 122.182 120.400 -0.024 0.000 2.443 210 K HA 0.547 3.487 4.320 -2.300 0.000 0.252 210 K C -1.336 175.285 176.600 0.034 0.000 0.933 210 K CA -0.742 55.564 56.287 0.032 0.000 0.792 210 K CB 1.528 34.100 32.500 0.120 0.000 1.185 210 K HN 0.346 nan 8.250 nan 0.000 0.425 211 R N 2.871 123.406 120.500 0.059 0.000 2.451 211 R HA 0.350 3.311 4.340 -2.300 0.000 0.307 211 R C -1.338 175.027 176.300 0.109 0.000 0.965 211 R CA -0.402 55.747 56.100 0.081 0.000 0.865 211 R CB 1.652 31.971 30.300 0.032 0.000 1.174 211 R HN 0.719 nan 8.270 nan 0.000 0.455 212 S N 4.980 120.770 115.700 0.149 0.000 2.549 212 S HA 0.563 3.653 4.470 -2.300 0.000 0.297 212 S C -0.148 174.543 174.600 0.151 0.000 1.115 212 S CA -0.855 57.434 58.200 0.150 0.000 1.059 212 S CB 1.476 64.779 63.200 0.172 0.000 1.046 212 S HN 0.568 nan 8.310 nan 0.000 0.506 213 I N -0.719 119.930 120.570 0.132 0.000 2.608 213 I HA 0.619 3.410 4.170 -2.300 0.000 0.295 213 I C -3.250 172.945 176.117 0.129 0.000 1.049 213 I CA -3.087 58.281 61.300 0.114 0.000 1.063 213 I CB 0.859 38.904 38.000 0.076 0.000 1.248 213 I HN 0.247 nan 8.210 nan 0.000 0.424 214 P HA 0.204 nan 4.420 nan 0.000 0.267 214 P C -0.850 176.404 177.300 -0.076 0.000 1.209 214 P CA 0.328 63.535 63.100 0.178 0.000 0.763 214 P CB 0.290 32.045 31.700 0.091 0.000 0.816 215 E N 3.172 123.061 120.200 -0.518 0.000 1.998 215 E HA 0.184 3.155 4.350 -2.300 0.000 0.257 215 E C -0.296 176.087 176.600 -0.363 0.000 1.038 215 E CA -0.560 55.529 56.400 -0.520 0.000 0.869 215 E CB -0.050 29.236 29.700 -0.691 0.000 1.135 215 E HN 0.367 nan 8.360 nan 0.000 0.430 216 I N 2.138 122.618 120.570 -0.151 0.000 2.471 216 I HA 0.341 3.131 4.170 -2.300 0.000 0.286 216 I C 0.289 176.370 176.117 -0.061 0.000 1.079 216 I CA 0.083 61.344 61.300 -0.065 0.000 1.398 216 I CB 0.938 38.931 38.000 -0.012 0.000 1.403 216 I HN 0.290 nan 8.210 nan 0.000 0.530 217 A N 3.468 126.265 122.820 -0.037 0.000 2.594 217 A HA 0.677 3.617 4.320 -2.300 0.000 0.296 217 A C -0.414 177.171 177.584 0.001 0.000 1.061 217 A CA -0.735 51.286 52.037 -0.026 0.000 0.689 217 A CB 0.808 19.778 19.000 -0.049 0.000 1.280 217 A HN 0.542 nan 8.150 nan 0.000 0.406 218 T N 2.756 117.313 114.554 0.005 0.000 2.799 218 T HA 0.444 3.414 4.350 -2.300 0.000 0.296 218 T C 0.169 174.879 174.700 0.017 0.000 0.947 218 T CA 0.425 62.534 62.100 0.015 0.000 1.141 218 T CB -0.306 68.569 68.868 0.012 0.000 0.891 218 T HN 0.585 nan 8.240 nan 0.000 0.533 219 R N 3.129 123.644 120.500 0.026 0.000 2.795 219 R HA 0.546 3.506 4.340 -2.300 0.000 0.275 219 R C -2.811 173.504 176.300 0.025 0.000 0.981 219 R CA -2.204 53.912 56.100 0.026 0.000 0.917 219 R CB 0.521 30.843 30.300 0.036 0.000 1.202 219 R HN 0.339 nan 8.270 nan 0.000 0.469 220 P HA 0.043 nan 4.420 nan 0.000 0.270 220 P C -0.959 176.351 177.300 0.016 0.000 1.223 220 P CA -0.305 62.805 63.100 0.018 0.000 0.785 220 P CB 0.510 32.220 31.700 0.016 0.000 0.923 221 K N 0.616 121.022 120.400 0.011 0.000 2.297 221 K HA 0.367 3.307 4.320 -2.300 0.000 0.286 221 K C -0.742 175.855 176.600 -0.005 0.000 1.053 221 K CA -0.548 55.740 56.287 0.002 0.000 0.940 221 K CB 0.667 33.168 32.500 0.002 0.000 1.019 221 K HN 0.137 nan 8.250 nan 0.000 0.475 222 V N 4.195 124.097 119.914 -0.019 0.000 2.417 222 V HA 0.088 2.828 4.120 -2.300 0.000 0.291 222 V C -0.086 175.978 176.094 -0.049 0.000 1.024 222 V CA -0.901 61.387 62.300 -0.021 0.000 0.861 222 V CB 1.198 33.016 31.823 -0.007 0.000 0.985 222 V HN 0.864 nan 8.190 nan 0.000 0.436 223 N N 3.937 122.618 118.700 -0.031 0.000 2.721 223 N HA -0.210 3.150 4.740 -2.300 0.000 0.249 223 N C 1.181 176.663 175.510 -0.047 0.000 1.072 223 N CA 1.546 54.574 53.050 -0.036 0.000 0.710 223 N CB -1.211 37.248 38.487 -0.045 0.000 0.993 223 N HN 1.523 nan 8.380 nan 0.000 0.547 224 G N -1.777 107.004 108.800 -0.032 0.000 2.168 224 G HA2 -0.340 2.240 3.960 -2.300 0.000 0.263 224 G HA3 -0.340 2.240 3.960 -2.300 0.000 0.263 224 G C -0.274 174.607 174.900 -0.031 0.000 0.977 224 G CA 0.712 45.799 45.100 -0.021 0.000 0.659 224 G HN 0.475 nan 8.290 nan 0.000 0.533 225 Q N -0.596 119.157 119.800 -0.079 0.000 2.333 225 Q HA 0.589 3.549 4.340 -2.300 0.000 0.267 225 Q C 1.057 177.027 176.000 -0.051 0.000 1.012 225 Q CA -0.015 55.727 55.803 -0.102 0.000 0.824 225 Q CB 1.567 30.086 28.738 -0.365 0.000 1.290 225 Q HN 0.349 nan 8.270 nan 0.000 0.449 226 G N 1.524 110.339 108.800 0.025 0.000 2.838 226 G HA2 0.117 2.697 3.960 -2.300 0.000 0.210 226 G HA3 0.117 2.697 3.960 -2.300 0.000 0.210 226 G C 0.627 175.587 174.900 0.099 0.000 1.153 226 G CA 0.366 45.497 45.100 0.052 0.000 0.778 226 G HN 0.559 nan 8.290 nan 0.000 0.539 227 G N -0.310 108.593 108.800 0.171 0.000 2.562 227 G HA2 0.568 3.148 3.960 -2.300 0.000 0.275 227 G HA3 0.568 3.148 3.960 -2.300 0.000 0.275 227 G C -0.422 174.674 174.900 0.327 0.000 1.196 227 G CA -0.567 44.718 45.100 0.308 0.000 0.908 227 G HN 0.141 nan 8.290 nan 0.000 0.524 228 R N -0.730 119.989 120.500 0.365 0.000 2.774 228 R HA 0.463 3.423 4.340 -2.300 0.000 0.272 228 R C -0.910 175.502 176.300 0.186 0.000 1.000 228 R CA -0.771 55.526 56.100 0.329 0.000 0.906 228 R CB 2.041 32.485 30.300 0.240 0.000 1.227 228 R HN 0.518 nan 8.270 nan 0.000 0.468 229 M N 1.233 120.880 119.600 0.079 0.000 2.326 229 M HA 0.335 3.435 4.480 -2.300 0.000 0.306 229 M C -0.408 175.617 176.300 -0.459 0.000 1.054 229 M CA -0.558 54.526 55.300 -0.361 0.000 0.922 229 M CB 2.691 35.012 32.600 -0.465 0.000 1.632 229 M HN 0.460 nan 8.290 nan 0.000 0.436 230 E N 3.571 123.366 120.200 -0.674 0.000 2.113 230 E HA 0.487 3.457 4.350 -2.300 0.000 0.273 230 E C -1.731 174.462 176.600 -0.679 0.000 0.924 230 E CA -0.410 55.714 56.400 -0.461 0.000 0.764 230 E CB 1.007 30.550 29.700 -0.262 0.000 1.104 230 E HN 0.457 nan 8.360 nan 0.000 0.406 231 F N 2.198 121.823 119.950 -0.542 0.000 2.397 231 F HA 0.430 3.580 4.527 -2.295 0.000 0.331 231 F C 0.516 175.843 175.800 -0.790 0.000 1.090 231 F CA -0.349 57.171 58.000 -0.799 0.000 1.065 231 F CB 2.050 40.299 39.000 -1.252 0.000 1.184 231 F HN 0.339 nan 8.300 nan 0.000 0.499 232 S N 1.632 116.880 115.700 -0.753 0.000 2.704 232 S HA 0.615 3.705 4.470 -2.300 0.000 0.296 232 S C -1.626 172.533 174.600 -0.734 0.000 1.138 232 S CA -0.757 56.981 58.200 -0.770 0.000 0.875 232 S CB 2.265 64.843 63.200 -1.036 0.000 1.151 232 S HN 0.702 nan 8.310 nan 0.000 0.500 233 W N -0.125 120.862 121.300 -0.521 0.000 3.137 233 W HA 0.730 4.007 4.660 -2.304 0.000 0.324 233 W C -1.567 175.019 176.519 0.113 0.000 1.253 233 W CA -0.614 56.651 57.345 -0.133 0.000 1.183 233 W CB 0.888 30.419 29.460 0.118 0.000 1.424 233 W HN 0.664 nan 8.180 nan 0.000 0.566 234 T N 1.549 116.428 114.554 0.541 0.000 2.868 234 T HA 0.581 3.551 4.350 -2.300 0.000 0.306 234 T C -1.455 173.541 174.700 0.493 0.000 1.224 234 T CA -0.642 61.680 62.100 0.371 0.000 1.012 234 T CB 1.545 70.628 68.868 0.357 0.000 1.221 234 T HN 0.443 nan 8.240 nan 0.000 0.499 235 L N 3.831 125.284 121.223 0.384 0.000 2.257 235 L HA 0.521 3.481 4.340 -2.300 0.000 0.290 235 L C -0.504 176.495 176.870 0.214 0.000 1.044 235 L CA -0.964 54.066 54.840 0.317 0.000 0.810 235 L CB 1.195 43.432 42.059 0.296 0.000 1.193 235 L HN 0.431 nan 8.230 nan 0.000 0.425 236 L N 4.007 125.349 121.223 0.198 0.000 2.260 236 L HA 0.342 3.302 4.340 -2.300 0.000 0.289 236 L C 0.235 177.163 176.870 0.096 0.000 1.057 236 L CA -0.033 54.895 54.840 0.146 0.000 0.811 236 L CB 0.822 42.987 42.059 0.176 0.000 1.184 236 L HN 0.435 nan 8.230 nan 0.000 0.429 237 E N 1.765 122.008 120.200 0.072 0.000 2.408 237 E HA 0.211 3.181 4.350 -2.300 0.000 0.259 237 E C -0.096 176.498 176.600 -0.010 0.000 1.110 237 E CA 0.181 56.608 56.400 0.044 0.000 0.929 237 E CB 0.649 30.384 29.700 0.058 0.000 0.971 237 E HN 0.726 nan 8.360 nan 0.000 0.438 238 T N -0.099 114.413 114.554 -0.069 0.000 2.940 238 T HA 0.009 2.979 4.350 -2.300 0.000 0.309 238 T C 0.072 174.687 174.700 -0.142 0.000 1.056 238 T CA 0.312 62.241 62.100 -0.285 0.000 1.137 238 T CB -0.060 68.546 68.868 -0.435 0.000 0.976 238 T HN 0.754 nan 8.240 nan 0.000 0.547 239 W N -0.778 120.508 121.300 -0.023 0.000 3.207 239 W HA -0.192 3.100 4.660 -2.280 0.000 0.291 239 W C 0.140 176.630 176.519 -0.049 0.000 1.105 239 W CA 0.555 57.872 57.345 -0.046 0.000 0.612 239 W CB -1.927 27.514 29.460 -0.032 0.000 2.140 239 W HN 0.858 nan 8.180 nan 0.000 1.420 240 D N 0.290 120.740 120.400 0.084 0.000 2.277 240 D HA 0.542 3.802 4.640 -2.300 0.000 0.250 240 D C -0.452 175.844 176.300 -0.006 0.000 1.032 240 D CA -0.333 53.697 54.000 0.048 0.000 0.947 240 D CB 1.782 42.609 40.800 0.046 0.000 1.159 240 D HN -0.083 nan 8.370 nan 0.000 0.460 241 V N 2.679 122.587 119.914 -0.011 0.000 2.715 241 V HA 0.586 3.326 4.120 -2.300 0.000 0.310 241 V C -0.858 175.222 176.094 -0.023 0.000 1.054 241 V CA -0.777 61.503 62.300 -0.033 0.000 0.928 241 V CB 1.567 33.365 31.823 -0.042 0.000 1.007 241 V HN 0.593 nan 8.190 nan 0.000 0.437 242 I N 5.144 125.715 120.570 0.001 0.000 2.404 242 I HA 0.555 3.345 4.170 -2.300 0.000 0.293 242 I C -0.735 175.283 176.117 -0.165 0.000 0.992 242 I CA -0.549 60.690 61.300 -0.103 0.000 1.149 242 I CB 1.350 39.310 38.000 -0.067 0.000 1.315 242 I HN 0.737 nan 8.210 nan 0.000 0.446 243 N N 7.386 125.906 118.700 -0.301 0.000 2.408 243 N HA 0.410 3.770 4.740 -2.300 0.000 0.280 243 N C -1.438 173.808 175.510 -0.440 0.000 1.002 243 N CA -0.140 52.778 53.050 -0.220 0.000 0.907 243 N CB 1.597 40.011 38.487 -0.121 0.000 1.161 243 N HN 0.335 nan 8.380 nan 0.000 0.488 244 F N 0.580 120.512 119.950 -0.029 0.000 2.443 244 F HA 0.375 3.515 4.527 -2.312 0.000 0.335 244 F C 0.744 176.558 175.800 0.023 0.000 1.104 244 F CA -0.651 57.328 58.000 -0.035 0.000 1.013 244 F CB 1.731 40.753 39.000 0.036 0.000 1.136 244 F HN 0.306 nan 8.300 nan 0.000 0.470 245 E N 1.714 122.016 120.200 0.169 0.000 2.304 245 E HA 0.559 3.529 4.350 -2.300 0.000 0.277 245 E C -1.702 174.909 176.600 0.019 0.000 0.898 245 E CA -0.475 56.008 56.400 0.139 0.000 0.764 245 E CB 1.888 31.687 29.700 0.166 0.000 1.216 245 E HN 0.542 nan 8.360 nan 0.000 0.419 246 S N 1.788 117.442 115.700 -0.076 0.000 2.533 246 S HA 0.291 3.381 4.470 -2.300 0.000 0.271 246 S C -0.059 174.399 174.600 -0.235 0.000 1.143 246 S CA -0.104 57.912 58.200 -0.306 0.000 0.891 246 S CB 1.472 64.585 63.200 -0.145 0.000 1.105 246 S HN 0.585 nan 8.310 nan 0.000 0.468 247 T N 0.374 114.617 114.554 -0.519 0.000 3.105 247 T HA 0.604 3.574 4.350 -2.300 0.000 0.253 247 T C 0.801 175.165 174.700 -0.561 0.000 1.047 247 T CA 0.227 62.168 62.100 -0.265 0.000 0.944 247 T CB -0.018 68.720 68.868 -0.217 0.000 1.016 247 T HN 1.468 nan 8.240 nan 0.000 0.544 248 G N 0.552 108.952 108.800 -0.666 0.000 2.368 248 G HA2 0.351 2.931 3.960 -2.300 0.000 0.301 248 G HA3 0.351 2.931 3.960 -2.300 0.000 0.301 248 G C -0.347 174.072 174.900 -0.800 0.000 1.640 248 G CA -0.430 44.034 45.100 -1.060 0.000 0.941 248 G HN -0.003 nan 8.290 nan 0.000 0.695 249 N N -2.084 115.949 118.700 -1.112 0.000 3.002 249 N HA -0.165 3.196 4.740 -2.300 0.000 0.229 249 N C 0.336 175.651 175.510 -0.325 0.000 0.927 249 N CA 0.808 53.359 53.050 -0.831 0.000 0.980 249 N CB -0.633 37.494 38.487 -0.600 0.000 1.077 249 N HN 0.857 nan 8.380 nan 0.000 0.572 250 L N 2.685 123.783 121.223 -0.209 0.000 2.367 250 L HA 0.333 3.293 4.340 -2.300 0.000 0.275 250 L C -0.062 176.729 176.870 -0.133 0.000 1.129 250 L CA 0.065 54.827 54.840 -0.131 0.000 0.839 250 L CB 0.405 42.387 42.059 -0.129 0.000 1.133 250 L HN -0.012 nan 8.230 nan 0.000 0.453 251 I N 6.068 126.559 120.570 -0.133 0.000 2.306 251 I HA 0.387 3.177 4.170 -2.300 0.000 0.288 251 I C 0.499 176.619 176.117 0.005 0.000 1.036 251 I CA -0.576 60.668 61.300 -0.092 0.000 1.221 251 I CB 0.214 38.127 38.000 -0.145 0.000 1.385 251 I HN 0.734 nan 8.210 nan 0.000 0.472 252 A N 9.608 132.389 122.820 -0.065 0.000 2.327 252 A HA 0.752 3.692 4.320 -2.300 0.000 0.283 252 A C -2.358 175.238 177.584 0.019 0.000 1.127 252 A CA -1.175 50.794 52.037 -0.114 0.000 0.810 252 A CB 0.020 18.901 19.000 -0.200 0.000 1.066 252 A HN 0.428 nan 8.150 nan 0.000 0.492 253 P HA 0.193 nan 4.420 nan 0.000 0.274 253 P C 0.125 177.433 177.300 0.013 0.000 1.231 253 P CA -0.035 63.107 63.100 0.069 0.000 0.790 253 P CB 0.997 32.765 31.700 0.113 0.000 0.951 254 E N 0.865 121.073 120.200 0.013 0.000 2.330 254 E HA 0.040 3.010 4.350 -2.300 0.000 0.200 254 E C -0.443 175.889 176.600 -0.447 0.000 0.922 254 E CA 0.187 56.483 56.400 -0.174 0.000 0.935 254 E CB 0.161 29.776 29.700 -0.142 0.000 0.917 254 E HN 0.408 nan 8.360 nan 0.000 0.491 255 Y N -0.698 119.499 120.300 -0.172 0.000 2.509 255 Y HA 0.657 3.749 4.550 -2.429 0.000 0.341 255 Y C 0.575 176.236 175.900 -0.399 0.000 1.038 255 Y CA -0.546 57.353 58.100 -0.335 0.000 1.089 255 Y CB 2.191 40.381 38.460 -0.449 0.000 1.241 255 Y HN -0.000 nan 8.280 nan 0.000 0.468 256 G N 0.522 109.121 108.800 -0.335 0.000 2.600 256 G HA2 0.661 3.242 3.960 -2.300 0.000 0.303 256 G HA3 0.661 3.242 3.960 -2.300 0.000 0.303 256 G C -2.045 172.508 174.900 -0.579 0.000 1.253 256 G CA -0.713 44.205 45.100 -0.303 0.000 0.974 256 G HN 0.358 nan 8.290 nan 0.000 0.483 257 F N 0.604 120.476 119.950 -0.129 0.000 2.434 257 F HA 0.398 4.896 4.527 -0.048 0.000 0.355 257 F C 0.613 176.238 175.800 -0.292 0.000 1.115 257 F CA -0.837 56.952 58.000 -0.351 0.000 1.010 257 F CB 2.030 40.730 39.000 -0.500 0.000 1.234 257 F HN 0.104 nan 8.300 nan 0.000 0.439 258 K N 4.129 124.445 120.400 -0.140 0.000 2.484 258 K HA 0.366 3.306 4.320 -2.300 0.000 0.280 258 K C -0.519 176.043 176.600 -0.065 0.000 1.013 258 K CA 0.349 56.606 56.287 -0.050 0.000 1.029 258 K CB 0.966 33.477 32.500 0.018 0.000 0.902 258 K HN 0.676 nan 8.250 nan 0.000 0.481 259 I N 0.635 121.237 120.570 0.054 0.000 2.752 259 I HA 0.285 3.076 4.170 -2.300 0.000 0.295 259 I C -1.385 174.797 176.117 0.108 0.000 1.219 259 I CA -0.275 61.097 61.300 0.120 0.000 1.030 259 I CB 2.150 40.257 38.000 0.178 0.000 1.259 259 I HN 0.608 nan 8.210 nan 0.000 0.423 260 S N 5.542 121.300 115.700 0.097 0.000 2.564 260 S HA 0.629 3.720 4.470 -2.300 0.000 0.274 260 S C -1.273 173.325 174.600 -0.003 0.000 1.124 260 S CA -0.995 57.231 58.200 0.044 0.000 0.869 260 S CB 2.279 65.499 63.200 0.033 0.000 1.105 260 S HN 0.517 nan 8.310 nan 0.000 0.472 261 K N 0.380 120.770 120.400 -0.016 0.000 2.422 261 K HA 0.691 3.631 4.320 -2.300 0.000 0.251 261 K C 0.854 177.424 176.600 -0.050 0.000 0.933 261 K CA -0.761 55.495 56.287 -0.052 0.000 0.798 261 K CB 1.712 34.187 32.500 -0.043 0.000 1.238 261 K HN 0.592 nan 8.250 nan 0.000 0.428 262 R N 1.468 121.921 120.500 -0.078 0.000 2.064 262 R HA 0.229 3.189 4.340 -2.300 0.000 0.221 262 R C 0.994 177.250 176.300 -0.072 0.000 1.136 262 R CA 1.668 57.723 56.100 -0.075 0.000 0.980 262 R CB -0.472 29.768 30.300 -0.101 0.000 0.876 262 R HN 0.799 nan 8.270 nan 0.000 0.437 263 G N -2.174 106.569 108.800 -0.095 0.000 2.772 263 G HA2 0.469 3.049 3.960 -2.300 0.000 0.284 263 G HA3 0.469 3.049 3.960 -2.300 0.000 0.284 263 G C -0.956 173.895 174.900 -0.081 0.000 1.217 263 G CA 0.448 45.503 45.100 -0.075 0.000 0.831 263 G HN 0.418 nan 8.290 nan 0.000 0.523 264 S N -1.599 114.070 115.700 -0.053 0.000 2.739 264 S HA 0.880 3.970 4.470 -2.300 0.000 0.306 264 S C 0.013 174.633 174.600 0.033 0.000 1.115 264 S CA 0.056 58.215 58.200 -0.068 0.000 0.985 264 S CB 1.708 64.866 63.200 -0.070 0.000 1.133 264 S HN 0.889 nan 8.310 nan 0.000 0.541 265 S N -0.889 114.821 115.700 0.017 0.000 3.888 265 S HA 0.829 3.919 4.470 -2.300 0.000 0.307 265 S C -0.772 173.864 174.600 0.059 0.000 1.122 265 S CA 0.032 58.329 58.200 0.162 0.000 1.197 265 S CB 0.786 64.113 63.200 0.213 0.000 1.533 265 S HN 1.011 nan 8.310 nan 0.000 0.696 266 G N 0.489 109.333 108.800 0.073 0.000 2.660 266 G HA2 0.664 3.244 3.960 -2.300 0.000 0.294 266 G HA3 0.664 3.244 3.960 -2.300 0.000 0.294 266 G C -1.757 173.162 174.900 0.032 0.000 1.369 266 G CA -0.656 44.456 45.100 0.019 0.000 0.912 266 G HN 0.655 nan 8.290 nan 0.000 0.479 267 I N 1.140 121.696 120.570 -0.024 0.000 2.353 267 I HA 0.354 3.144 4.170 -2.300 0.000 0.293 267 I C 0.235 176.335 176.117 -0.029 0.000 0.992 267 I CA -0.406 60.864 61.300 -0.049 0.000 1.268 267 I CB 1.817 39.752 38.000 -0.109 0.000 1.387 267 I HN 0.329 nan 8.210 nan 0.000 0.478 268 M N 6.510 126.112 119.600 0.003 0.000 2.088 268 M HA 0.343 3.443 4.480 -2.300 0.000 0.346 268 M C -0.832 175.433 176.300 -0.057 0.000 1.111 268 M CA -0.629 54.662 55.300 -0.016 0.000 1.017 268 M CB 0.610 33.241 32.600 0.052 0.000 1.568 268 M HN 0.266 nan 8.290 nan 0.000 0.445 269 K N 3.347 123.706 120.400 -0.067 0.000 2.273 269 K HA 0.422 3.362 4.320 -2.300 0.000 0.287 269 K C -0.678 175.878 176.600 -0.073 0.000 1.089 269 K CA 0.124 56.372 56.287 -0.065 0.000 0.909 269 K CB 1.012 33.487 32.500 -0.042 0.000 1.123 269 K HN 0.719 nan 8.250 nan 0.000 0.473 270 T N 0.830 115.338 114.554 -0.076 0.000 2.769 270 T HA 0.252 3.222 4.350 -2.300 0.000 0.306 270 T C -0.291 174.366 174.700 -0.071 0.000 1.400 270 T CA -0.537 61.516 62.100 -0.079 0.000 1.007 270 T CB 0.932 69.744 68.868 -0.094 0.000 1.392 270 T HN 0.478 nan 8.240 nan 0.000 0.500 271 E N 0.450 120.612 120.200 -0.064 0.000 2.389 271 E HA 0.201 3.171 4.350 -2.300 0.000 0.199 271 E C 0.531 177.095 176.600 -0.060 0.000 0.978 271 E CA 0.153 56.519 56.400 -0.057 0.000 0.912 271 E CB 0.401 30.076 29.700 -0.041 0.000 0.907 271 E HN 0.462 nan 8.360 nan 0.000 0.494 272 K N 1.292 121.655 120.400 -0.063 0.000 2.170 272 K HA 0.091 3.032 4.320 -2.300 0.000 0.241 272 K C 0.474 177.033 176.600 -0.067 0.000 1.071 272 K CA 0.663 56.915 56.287 -0.059 0.000 0.822 272 K CB 0.233 32.697 32.500 -0.060 0.000 1.097 272 K HN 0.032 nan 8.250 nan 0.000 0.522 273 T N -1.938 112.579 114.554 -0.061 0.000 3.032 273 T HA 0.259 3.229 4.350 -2.300 0.000 0.312 273 T C -0.204 174.459 174.700 -0.062 0.000 1.078 273 T CA -0.931 61.126 62.100 -0.072 0.000 1.028 273 T CB 0.800 69.628 68.868 -0.066 0.000 1.091 273 T HN 0.486 nan 8.240 nan 0.000 0.457 274 L N 1.837 123.013 121.223 -0.078 0.000 2.605 274 L HA 0.038 2.999 4.340 -2.300 0.000 0.296 274 L C 0.889 177.734 176.870 -0.041 0.000 1.255 274 L CA 0.772 55.576 54.840 -0.061 0.000 0.879 274 L CB 0.483 42.489 42.059 -0.088 0.000 1.124 274 L HN 1.042 nan 8.230 nan 0.000 0.507 275 E N 3.248 123.434 120.200 -0.024 0.000 2.846 275 E HA 0.032 3.002 4.350 -2.300 0.000 0.211 275 E C -0.492 176.102 176.600 -0.010 0.000 0.975 275 E CA -0.209 56.181 56.400 -0.017 0.000 1.211 275 E CB 0.326 30.019 29.700 -0.013 0.000 1.052 275 E HN 0.739 nan 8.360 nan 0.000 0.487 276 N N 0.564 119.258 118.700 -0.009 0.000 2.522 276 N HA -0.177 3.183 4.740 -2.300 0.000 0.281 276 N C -0.907 174.603 175.510 0.001 0.000 1.267 276 N CA 1.002 54.049 53.050 -0.005 0.000 0.675 276 N CB -1.695 36.788 38.487 -0.008 0.000 0.890 276 N HN 0.379 nan 8.380 nan 0.000 0.542 277 c N -0.189 118.415 118.600 0.006 0.000 3.151 277 c HA 0.889 4.080 4.570 -2.300 0.000 0.331 277 c C -0.514 173.583 174.090 0.011 0.000 5.111 277 c CA -0.016 56.317 56.329 0.007 0.000 1.422 277 c CB 0.685 43.198 42.510 0.006 0.000 5.833 277 c HN 0.865 nan 8.230 nan 0.000 0.429 278 E N -0.145 120.061 120.200 0.010 0.000 2.378 278 E HA 0.683 3.653 4.350 -2.300 0.000 0.283 278 E C -1.281 175.320 176.600 0.002 0.000 0.979 278 E CA 0.280 56.687 56.400 0.011 0.000 0.795 278 E CB 1.933 31.637 29.700 0.007 0.000 1.221 278 E HN 0.995 nan 8.360 nan 0.000 0.428 279 T N 1.613 116.167 114.554 0.000 0.000 2.843 279 T HA 0.652 3.623 4.350 -2.300 0.000 0.302 279 T C 0.217 174.907 174.700 -0.017 0.000 1.232 279 T CA -0.275 61.813 62.100 -0.020 0.000 1.009 279 T CB 1.492 70.333 68.868 -0.046 0.000 1.254 279 T HN 0.390 nan 8.240 nan 0.000 0.504 280 K N -1.224 119.157 120.400 -0.032 0.000 2.355 280 K HA 0.578 3.518 4.320 -2.300 0.000 0.198 280 K C 0.603 177.168 176.600 -0.058 0.000 1.039 280 K CA 0.227 56.501 56.287 -0.022 0.000 1.075 280 K CB -0.227 32.260 32.500 -0.021 0.000 0.870 280 K HN 0.882 nan 8.250 nan 0.000 0.540 281 c N 1.358 119.897 118.600 -0.103 0.000 2.705 281 c HA 0.654 3.845 4.570 -2.300 0.000 0.369 281 c C -1.769 172.202 174.090 -0.199 0.000 1.069 281 c CA -0.753 55.473 56.329 -0.171 0.000 1.260 281 c CB 0.650 43.053 42.510 -0.180 0.000 1.764 281 c HN 0.618 nan 8.230 nan 0.000 0.469 282 Q N 3.242 122.883 119.800 -0.266 0.000 2.312 282 Q HA 0.794 3.755 4.340 -2.300 0.000 0.263 282 Q C -0.019 175.806 176.000 -0.292 0.000 0.995 282 Q CA 0.118 55.753 55.803 -0.281 0.000 0.853 282 Q CB 1.847 30.345 28.738 -0.401 0.000 1.300 282 Q HN 0.911 nan 8.270 nan 0.000 0.448 283 T N 0.377 114.775 114.554 -0.259 0.000 2.924 283 T HA 0.576 3.546 4.350 -2.300 0.000 0.291 283 T C -2.133 172.369 174.700 -0.330 0.000 1.045 283 T CA -2.212 59.717 62.100 -0.285 0.000 1.015 283 T CB 1.465 70.197 68.868 -0.227 0.000 1.103 283 T HN 0.451 nan 8.240 nan 0.000 0.496 284 P HA 0.082 nan 4.420 nan 0.000 0.226 284 P C 1.181 178.281 177.300 -0.334 0.000 1.146 284 P CA 0.710 63.577 63.100 -0.389 0.000 0.773 284 P CB 0.017 31.392 31.700 -0.543 0.000 0.772 285 L N -3.189 117.798 121.223 -0.394 0.000 2.408 285 L HA 0.355 3.315 4.340 -2.300 0.000 0.215 285 L C 1.225 177.768 176.870 -0.546 0.000 1.081 285 L CA 0.357 54.944 54.840 -0.421 0.000 0.840 285 L CB -0.208 41.579 42.059 -0.454 0.000 1.002 285 L HN 0.058 nan 8.230 nan 0.000 0.468 286 G N -0.833 107.696 108.800 -0.453 0.000 2.313 286 G HA2 0.468 3.048 3.960 -2.300 0.000 0.296 286 G HA3 0.468 3.048 3.960 -2.300 0.000 0.296 286 G C -1.830 172.975 174.900 -0.158 0.000 1.356 286 G CA -0.198 44.740 45.100 -0.270 0.000 0.833 286 G HN 0.019 nan 8.290 nan 0.000 0.552 287 A N -0.960 121.825 122.820 -0.059 0.000 2.302 287 A HA 0.743 3.683 4.320 -2.300 0.000 0.285 287 A C -0.093 177.478 177.584 -0.022 0.000 1.105 287 A CA -0.333 51.669 52.037 -0.058 0.000 0.816 287 A CB 0.720 19.698 19.000 -0.037 0.000 1.067 287 A HN 1.586 nan 8.150 nan 0.000 0.489 288 I N 2.400 122.931 120.570 -0.064 0.000 2.382 288 I HA 0.323 3.113 4.170 -2.300 0.000 0.286 288 I C -0.282 175.802 176.117 -0.055 0.000 1.002 288 I CA -0.841 60.425 61.300 -0.057 0.000 1.135 288 I CB 1.020 38.938 38.000 -0.136 0.000 1.288 288 I HN 0.815 nan 8.210 nan 0.000 0.448 289 N N 3.291 121.973 118.700 -0.029 0.000 2.479 289 N HA 0.583 3.943 4.740 -2.300 0.000 0.261 289 N C -0.680 174.816 175.510 -0.023 0.000 0.979 289 N CA 0.088 53.121 53.050 -0.028 0.000 0.930 289 N CB 1.651 40.127 38.487 -0.018 0.000 1.172 289 N HN 0.812 nan 8.380 nan 0.000 0.499 290 T N 0.642 115.177 114.554 -0.031 0.000 2.853 290 T HA 0.418 3.389 4.350 -2.300 0.000 0.311 290 T C 0.314 174.995 174.700 -0.031 0.000 1.307 290 T CA -0.409 61.677 62.100 -0.023 0.000 1.019 290 T CB 0.743 69.600 68.868 -0.018 0.000 1.264 290 T HN 0.405 nan 8.240 nan 0.000 0.497 291 T N 1.995 116.535 114.554 -0.023 0.000 3.023 291 T HA 0.359 3.329 4.350 -2.300 0.000 0.249 291 T C 1.075 175.751 174.700 -0.040 0.000 1.050 291 T CA -0.124 61.958 62.100 -0.030 0.000 1.088 291 T CB -0.152 68.704 68.868 -0.018 0.000 0.946 291 T HN 0.470 nan 8.240 nan 0.000 0.480 292 L N 1.915 123.124 121.223 -0.023 0.000 2.482 292 L HA 0.168 3.128 4.340 -2.300 0.000 0.273 292 L C -1.442 175.372 176.870 -0.094 0.000 1.228 292 L CA -1.382 53.446 54.840 -0.020 0.000 0.827 292 L CB 0.023 42.105 42.059 0.039 0.000 1.099 292 L HN -0.007 nan 8.230 nan 0.000 0.494 293 P HA 0.142 nan 4.420 nan 0.000 0.252 293 P C -0.605 176.236 177.300 -0.764 0.000 1.218 293 P CA 0.617 63.404 63.100 -0.520 0.000 0.807 293 P CB 0.387 31.655 31.700 -0.720 0.000 1.072 294 F N -0.428 119.516 119.950 -0.009 0.000 2.588 294 F HA 0.543 3.690 4.527 -2.300 0.000 0.314 294 F C 0.593 176.443 175.800 0.084 0.000 1.069 294 F CA -1.010 56.989 58.000 -0.001 0.000 0.931 294 F CB 1.352 40.327 39.000 -0.042 0.000 1.260 294 F HN -0.142 nan 8.300 nan 0.000 0.465 295 H N -1.038 118.142 119.070 0.183 0.000 2.946 295 H HA 0.580 3.756 4.556 -2.300 0.000 0.365 295 H C -0.997 174.423 175.328 0.154 0.000 1.197 295 H CA -1.096 55.039 56.048 0.145 0.000 1.131 295 H CB 1.660 31.499 29.762 0.128 0.000 1.849 295 H HN 0.426 nan 8.280 nan 0.000 0.555 296 N N 1.811 120.536 118.700 0.043 0.000 2.377 296 N HA 0.110 3.471 4.740 -2.300 0.000 0.259 296 N C -0.174 175.521 175.510 0.309 0.000 1.332 296 N CA -0.260 52.776 53.050 -0.023 0.000 0.877 296 N CB -0.317 38.120 38.487 -0.084 0.000 1.299 296 N HN 0.742 nan 8.380 nan 0.000 0.501 297 I N -0.571 120.304 120.570 0.509 0.000 2.277 297 I HA -0.012 2.778 4.170 -2.300 0.000 0.243 297 I C 0.365 176.708 176.117 0.376 0.000 1.094 297 I CA 0.984 62.554 61.300 0.449 0.000 1.393 297 I CB -0.085 38.194 38.000 0.465 0.000 1.078 297 I HN 0.294 nan 8.210 nan 0.000 0.417 298 H N -0.820 118.367 119.070 0.196 0.000 3.140 298 H HA 0.143 3.319 4.556 -2.299 0.000 0.336 298 H C -2.328 172.705 175.328 -0.491 0.000 1.142 298 H CA -1.042 54.928 56.048 -0.130 0.000 1.308 298 H CB 2.298 32.014 29.762 -0.076 0.000 1.970 298 H HN -0.251 nan 8.280 nan 0.000 0.521 299 P HA 0.002 nan 4.420 nan 0.000 0.219 299 P C 0.640 177.826 177.300 -0.190 0.000 1.150 299 P CA 0.839 63.427 63.100 -0.853 0.000 0.814 299 P CB 0.449 31.782 31.700 -0.612 0.000 0.787 300 L N 0.587 121.879 121.223 0.116 0.000 2.466 300 L HA 0.199 3.160 4.340 -2.300 0.000 0.248 300 L C 0.904 177.742 176.870 -0.053 0.000 1.240 300 L CA -0.514 54.361 54.840 0.058 0.000 1.180 300 L CB -0.785 41.337 42.059 0.104 0.000 1.413 300 L HN 0.038 nan 8.230 nan 0.000 0.406 301 T N -1.468 113.030 114.554 -0.093 0.000 2.897 301 T HA 0.729 3.699 4.350 -2.300 0.000 0.278 301 T C -0.135 174.413 174.700 -0.255 0.000 0.981 301 T CA -0.631 61.359 62.100 -0.184 0.000 0.973 301 T CB 2.183 70.941 68.868 -0.182 0.000 1.092 301 T HN 0.164 nan 8.240 nan 0.000 0.543 302 I N 0.799 121.159 120.570 -0.350 0.000 2.534 302 I HA 0.622 3.412 4.170 -2.300 0.000 0.288 302 I C 0.567 176.350 176.117 -0.557 0.000 1.077 302 I CA -0.395 60.619 61.300 -0.477 0.000 1.051 302 I CB 1.534 39.258 38.000 -0.462 0.000 1.234 302 I HN 1.257 nan 8.210 nan 0.000 0.425 303 G N 5.093 113.351 108.800 -0.903 0.000 2.280 303 G HA2 -0.073 2.507 3.960 -2.300 0.000 0.277 303 G HA3 -0.073 2.507 3.960 -2.300 0.000 0.277 303 G C -1.225 173.406 174.900 -0.448 0.000 1.288 303 G CA -0.868 43.839 45.100 -0.656 0.000 1.075 303 G HN 0.554 nan 8.290 nan 0.000 0.480 304 E N 0.077 120.196 120.200 -0.135 0.000 1.963 304 E HA 0.514 3.485 4.350 -2.300 0.000 0.274 304 E C -0.250 176.268 176.600 -0.138 0.000 1.061 304 E CA -0.220 56.123 56.400 -0.096 0.000 0.847 304 E CB 0.645 30.340 29.700 -0.008 0.000 1.083 304 E HN 0.633 nan 8.360 nan 0.000 0.402 305 c N 4.112 122.611 118.600 -0.169 0.000 2.470 305 c HA 0.537 3.727 4.570 -2.300 0.000 0.341 305 c C -2.060 171.947 174.090 -0.138 0.000 1.190 305 c CA -1.878 54.347 56.329 -0.174 0.000 1.904 305 c CB 0.940 43.328 42.510 -0.203 0.000 2.354 305 c HN 0.586 nan 8.230 nan 0.000 0.509 306 P HA 0.186 nan 4.420 nan 0.000 0.270 306 P C -0.753 176.566 177.300 0.031 0.000 1.223 306 P CA -0.225 62.833 63.100 -0.070 0.000 0.785 306 P CB 0.453 32.176 31.700 0.039 0.000 0.923 307 K N 0.977 121.275 120.400 -0.170 0.000 2.382 307 K HA 0.101 3.041 4.320 -2.300 0.000 0.275 307 K C -0.549 176.097 176.600 0.077 0.000 1.009 307 K CA 0.098 56.286 56.287 -0.164 0.000 0.970 307 K CB -0.156 32.033 32.500 -0.518 0.000 0.934 307 K HN 0.362 nan 8.250 nan 0.000 0.479 308 Y N 3.517 123.765 120.300 -0.088 0.000 2.327 308 Y HA 0.417 3.588 4.550 -2.299 0.000 0.336 308 Y C -0.926 174.922 175.900 -0.087 0.000 1.035 308 Y CA -0.545 57.381 58.100 -0.290 0.000 1.165 308 Y CB 0.663 39.002 38.460 -0.201 0.000 1.181 308 Y HN 0.226 nan 8.280 nan 0.000 0.494 309 V N 6.803 126.285 119.914 -0.720 0.000 2.769 309 V HA 0.289 3.029 4.120 -2.300 0.000 0.312 309 V C 0.001 175.695 176.094 -0.667 0.000 1.061 309 V CA -1.351 60.654 62.300 -0.492 0.000 0.931 309 V CB 2.085 33.750 31.823 -0.263 0.000 1.010 309 V HN 0.673 nan 8.190 nan 0.000 0.433 310 K N 1.807 121.974 120.400 -0.389 0.000 3.165 310 K HA 0.246 3.186 4.320 -2.300 0.000 0.270 310 K C 0.232 176.721 176.600 -0.185 0.000 1.111 310 K CA 0.117 56.243 56.287 -0.269 0.000 1.216 310 K CB 0.218 32.642 32.500 -0.127 0.000 1.229 310 K HN 0.612 nan 8.250 nan 0.000 0.435 311 S N 0.436 116.007 115.700 -0.215 0.000 2.566 311 S HA 0.235 3.325 4.470 -2.300 0.000 0.298 311 S C -0.330 174.199 174.600 -0.119 0.000 1.083 311 S CA -0.796 57.312 58.200 -0.154 0.000 0.978 311 S CB 1.197 64.285 63.200 -0.186 0.000 1.073 311 S HN 0.371 nan 8.310 nan 0.000 0.491 312 D N 1.370 121.722 120.400 -0.079 0.000 2.500 312 D HA 0.271 3.531 4.640 -2.300 0.000 0.217 312 D C 0.105 176.382 176.300 -0.038 0.000 1.159 312 D CA -0.150 53.821 54.000 -0.048 0.000 0.828 312 D CB 0.181 40.964 40.800 -0.028 0.000 1.039 312 D HN 0.317 nan 8.370 nan 0.000 0.512 313 R N 0.424 120.892 120.500 -0.053 0.000 2.522 313 R HA 0.531 3.492 4.340 -2.300 0.000 0.283 313 R C -1.422 174.839 176.300 -0.064 0.000 1.074 313 R CA -0.558 55.517 56.100 -0.042 0.000 0.925 313 R CB 1.941 32.220 30.300 -0.034 0.000 1.205 313 R HN 0.003 nan 8.270 nan 0.000 0.436 314 L N 4.102 125.297 121.223 -0.048 0.000 2.481 314 L HA 0.406 3.367 4.340 -2.300 0.000 0.255 314 L C -1.078 175.784 176.870 -0.013 0.000 1.192 314 L CA -0.710 54.093 54.840 -0.062 0.000 0.924 314 L CB 1.882 43.874 42.059 -0.111 0.000 1.179 314 L HN 0.276 nan 8.230 nan 0.000 0.491 315 V N 3.166 123.073 119.914 -0.012 0.000 2.357 315 V HA 0.359 3.100 4.120 -2.300 0.000 0.284 315 V C 0.047 176.150 176.094 0.015 0.000 1.018 315 V CA -0.580 61.727 62.300 0.011 0.000 0.841 315 V CB 2.077 33.907 31.823 0.011 0.000 0.991 315 V HN 0.347 nan 8.190 nan 0.000 0.437 316 L N 4.517 125.760 121.223 0.033 0.000 2.331 316 L HA 0.584 3.545 4.340 -2.300 0.000 0.278 316 L C 0.853 177.753 176.870 0.050 0.000 1.106 316 L CA 0.458 55.320 54.840 0.037 0.000 0.824 316 L CB 1.139 43.228 42.059 0.049 0.000 1.142 316 L HN 0.787 nan 8.230 nan 0.000 0.443 317 A N 2.304 125.149 122.820 0.041 0.000 2.440 317 A HA 0.490 3.430 4.320 -2.300 0.000 0.251 317 A C 0.899 178.534 177.584 0.085 0.000 1.089 317 A CA 0.427 52.497 52.037 0.055 0.000 0.779 317 A CB 0.086 19.105 19.000 0.031 0.000 1.022 317 A HN 0.917 nan 8.150 nan 0.000 0.492 318 T N 0.354 114.988 114.554 0.135 0.000 3.075 318 T HA 0.346 3.317 4.350 -2.300 0.000 0.251 318 T C 1.287 176.106 174.700 0.197 0.000 0.979 318 T CA 0.668 62.891 62.100 0.205 0.000 1.033 318 T CB -0.727 68.311 68.868 0.282 0.000 1.104 318 T HN 0.990 nan 8.240 nan 0.000 0.473 319 G N 2.568 111.443 108.800 0.125 0.000 2.441 319 G HA2 0.522 3.102 3.960 -2.300 0.000 0.258 319 G HA3 0.522 3.102 3.960 -2.300 0.000 0.258 319 G C -0.279 174.318 174.900 -0.505 0.000 1.487 319 G CA -0.128 44.824 45.100 -0.248 0.000 1.058 319 G HN 0.671 nan 8.290 nan 0.000 0.552 320 L N -3.261 117.560 121.223 -0.670 0.000 2.256 320 L HA 0.677 3.637 4.340 -2.300 0.000 0.261 320 L C 0.544 177.238 176.870 -0.292 0.000 1.022 320 L CA -1.424 53.069 54.840 -0.578 0.000 0.828 320 L CB 1.269 42.783 42.059 -0.907 0.000 1.374 320 L HN 0.476 nan 8.230 nan 0.000 0.436 321 R N 1.310 121.667 120.500 -0.238 0.000 2.458 321 R HA 0.025 2.985 4.340 -2.300 0.000 0.303 321 R C -0.402 175.807 176.300 -0.151 0.000 1.013 321 R CA -0.023 55.978 56.100 -0.166 0.000 1.026 321 R CB -0.026 30.177 30.300 -0.162 0.000 0.948 321 R HN 0.728 nan 8.270 nan 0.000 0.417 322 N N 4.378 123.014 118.700 -0.107 0.000 2.402 322 N HA 0.048 3.408 4.740 -2.300 0.000 0.259 322 N C -1.231 174.250 175.510 -0.048 0.000 1.167 322 N CA -0.265 52.734 53.050 -0.085 0.000 0.949 322 N CB 0.801 39.242 38.487 -0.077 0.000 1.212 322 N HN 0.319 nan 8.380 nan 0.000 0.493 323 V N 4.004 123.914 119.914 -0.007 0.000 2.294 323 V HA 0.462 3.202 4.120 -2.300 0.000 0.272 323 V C -1.851 174.237 176.094 -0.010 0.000 1.027 323 V CA -1.788 60.520 62.300 0.013 0.000 0.823 323 V CB 0.530 32.402 31.823 0.081 0.000 1.030 323 V HN 0.482 nan 8.190 nan 0.000 0.457 331 L N -0.458 120.737 121.223 -0.047 0.000 2.477 331 L HA 0.549 3.509 4.340 -2.300 0.000 0.220 331 L C 1.479 178.119 176.870 -0.384 0.000 1.106 331 L CA 1.244 55.962 54.840 -0.203 0.000 0.851 331 L CB -0.021 41.894 42.059 -0.240 0.000 0.994 331 L HN 0.378 nan 8.230 nan 0.000 0.462 332 F N -1.154 118.762 119.950 -0.057 0.000 2.682 332 F HA 0.421 3.568 4.527 -2.300 0.000 0.308 332 F C 1.754 177.540 175.800 -0.024 0.000 1.093 332 F CA 0.358 58.336 58.000 -0.038 0.000 1.244 332 F CB 0.414 39.380 39.000 -0.057 0.000 1.052 332 F HN 0.013 nan 8.300 nan 0.000 0.573 333 G N 0.498 109.335 108.800 0.061 0.000 2.143 333 G HA2 -0.286 2.294 3.960 -2.300 0.000 0.249 333 G HA3 -0.286 2.294 3.960 -2.300 0.000 0.249 333 G C 1.000 175.808 174.900 -0.153 0.000 0.981 333 G CA 0.456 45.568 45.100 0.020 0.000 0.665 333 G HN 0.548 nan 8.290 nan 0.000 0.528 334 A N -0.356 122.283 122.820 -0.300 0.000 1.896 334 A HA 0.674 3.614 4.320 -2.300 0.000 0.213 334 A C 1.176 178.417 177.584 -0.570 0.000 1.306 334 A CA 0.841 52.431 52.037 -0.744 0.000 0.626 334 A CB 0.036 18.713 19.000 -0.538 0.000 0.994 334 A HN 0.715 nan 8.150 nan 0.000 0.475 335 I N 0.413 120.714 120.570 -0.449 0.000 2.533 335 I HA 0.289 3.079 4.170 -2.300 0.000 0.284 335 I C 1.145 177.098 176.117 -0.275 0.000 1.109 335 I CA 0.620 61.618 61.300 -0.504 0.000 1.412 335 I CB 0.819 38.400 38.000 -0.698 0.000 1.396 335 I HN 0.609 nan 8.210 nan 0.000 0.543 336 A N 4.437 127.173 122.820 -0.141 0.000 2.783 336 A HA -0.154 2.786 4.320 -2.300 0.000 0.292 336 A C 0.798 178.322 177.584 -0.101 0.000 1.495 336 A CA 1.034 53.022 52.037 -0.081 0.000 0.787 336 A CB -2.043 16.910 19.000 -0.079 0.000 1.017 336 A HN 1.039 nan 8.150 nan 0.000 0.516 337 G N -1.196 107.512 108.800 -0.152 0.000 3.259 337 G HA2 0.522 3.102 3.960 -2.300 0.000 0.193 337 G HA3 0.522 3.102 3.960 -2.300 0.000 0.193 337 G C 0.633 175.472 174.900 -0.101 0.000 1.457 337 G CA 0.260 45.279 45.100 -0.135 0.000 0.771 337 G HN 1.147 nan 8.290 nan 0.000 0.765 338 F N 0.583 120.482 119.950 -0.084 0.000 2.407 338 F HA 0.454 3.601 4.527 -2.300 0.000 0.299 338 F C 0.834 176.566 175.800 -0.114 0.000 1.097 338 F CA -0.299 57.635 58.000 -0.111 0.000 1.422 338 F CB -0.254 38.647 39.000 -0.164 0.000 1.067 338 F HN -0.104 nan 8.300 nan 0.000 0.539 339 I N 3.131 123.431 120.570 -0.449 0.000 2.282 339 I HA 0.101 2.892 4.170 -2.300 0.000 0.290 339 I C 0.962 177.027 176.117 -0.087 0.000 1.090 339 I CA -0.237 60.944 61.300 -0.199 0.000 1.231 339 I CB 0.894 38.738 38.000 -0.260 0.000 1.434 339 I HN 0.262 nan 8.210 nan 0.000 0.487 340 E N 4.341 124.523 120.200 -0.031 0.000 2.150 340 E HA 0.006 2.976 4.350 -2.300 0.000 0.193 340 E C 0.970 177.572 176.600 0.003 0.000 0.985 340 E CA 0.372 56.766 56.400 -0.010 0.000 0.814 340 E CB 0.170 29.873 29.700 0.005 0.000 0.752 340 E HN 0.659 nan 8.360 nan 0.000 0.466 341 G N -0.056 108.717 108.800 -0.044 0.000 2.725 341 G HA2 0.534 3.114 3.960 -2.300 0.000 0.288 341 G HA3 0.534 3.114 3.960 -2.300 0.000 0.288 341 G C -0.876 173.755 174.900 -0.449 0.000 1.399 341 G CA -0.428 44.619 45.100 -0.089 0.000 0.859 341 G HN 0.197 nan 8.290 nan 0.000 0.479 342 G N -1.491 107.063 108.800 -0.410 0.000 2.461 342 G HA2 0.521 3.101 3.960 -2.300 0.000 0.329 342 G HA3 0.521 3.101 3.960 -2.300 0.000 0.329 342 G C -1.124 173.601 174.900 -0.291 0.000 1.170 342 G CA -0.629 44.019 45.100 -0.754 0.000 0.935 342 G HN 0.401 nan 8.290 nan 0.000 0.492 343 W N 1.120 122.205 121.300 -0.357 0.000 2.291 343 W HA 0.366 3.646 4.660 -2.300 0.000 0.312 343 W C 0.991 177.331 176.519 -0.298 0.000 1.061 343 W CA -1.099 56.064 57.345 -0.304 0.000 1.296 343 W CB 0.909 30.165 29.460 -0.341 0.000 1.223 343 W HN 0.538 nan 8.180 nan 0.000 0.421 344 Q N 1.791 121.565 119.800 -0.043 0.000 2.234 344 Q HA -0.113 2.847 4.340 -2.300 0.000 0.206 344 Q C 1.998 177.926 176.000 -0.121 0.000 0.980 344 Q CA 1.683 57.431 55.803 -0.090 0.000 0.869 344 Q CB -0.208 28.490 28.738 -0.066 0.000 0.912 344 Q HN 0.741 nan 8.270 nan 0.000 0.436 345 G N 1.232 109.861 108.800 -0.285 0.000 2.556 345 G HA2 -0.171 2.409 3.960 -2.300 0.000 0.215 345 G HA3 -0.171 2.409 3.960 -2.300 0.000 0.215 345 G C 0.880 175.565 174.900 -0.359 0.000 1.258 345 G CA -0.028 44.812 45.100 -0.432 0.000 0.811 345 G HN 0.322 nan 8.290 nan 0.000 0.557 346 M N 1.985 121.243 119.600 -0.571 0.000 2.338 346 M HA 0.151 3.251 4.480 -2.300 0.000 0.360 346 M C 0.483 176.812 176.300 0.049 0.000 1.547 346 M CA 0.415 55.643 55.300 -0.120 0.000 1.001 346 M CB 0.704 33.367 32.600 0.106 0.000 2.008 346 M HN 0.176 nan 8.290 nan 0.000 0.464 347 V N 1.401 121.327 119.914 0.020 0.000 3.276 347 V HA 0.230 2.971 4.120 -2.300 0.000 0.319 347 V C 0.202 176.224 176.094 -0.120 0.000 1.476 347 V CA 0.042 62.323 62.300 -0.032 0.000 1.097 347 V CB -0.078 31.760 31.823 0.026 0.000 0.988 347 V HN 0.875 nan 8.190 nan 0.000 0.473 348 D N 0.322 120.673 120.400 -0.081 0.000 2.501 348 D HA 0.526 3.786 4.640 -2.300 0.000 0.226 348 D C 0.611 176.830 176.300 -0.135 0.000 1.198 348 D CA 0.661 54.604 54.000 -0.094 0.000 0.830 348 D CB 1.250 42.037 40.800 -0.021 0.000 1.014 348 D HN 0.614 nan 8.370 nan 0.000 0.496 349 G N -0.962 107.707 108.800 -0.218 0.000 2.489 349 G HA2 0.226 2.807 3.960 -2.300 0.000 0.305 349 G HA3 0.226 2.807 3.960 -2.300 0.000 0.305 349 G C -1.105 173.601 174.900 -0.324 0.000 1.311 349 G CA -0.682 44.269 45.100 -0.249 0.000 0.813 349 G HN -0.011 nan 8.290 nan 0.000 0.480 350 W N -0.497 120.543 121.300 -0.433 0.000 2.735 350 W HA 0.385 3.665 4.660 -2.300 0.000 0.264 350 W C -0.044 176.111 176.519 -0.607 0.000 1.233 350 W CA 0.158 57.119 57.345 -0.640 0.000 1.408 350 W CB -0.065 28.774 29.460 -1.035 0.000 1.038 350 W HN 0.403 nan 8.180 nan 0.000 0.603 351 Y N -0.613 119.791 120.300 0.173 0.000 2.536 351 Y HA 0.757 3.927 4.550 -2.300 0.000 0.347 351 Y C 0.678 176.565 175.900 -0.021 0.000 1.000 351 Y CA -0.821 57.298 58.100 0.032 0.000 1.051 351 Y CB 1.370 39.817 38.460 -0.021 0.000 1.259 351 Y HN -0.143 nan 8.280 nan 0.000 0.468 352 G N -0.011 108.820 108.800 0.053 0.000 2.494 352 G HA2 0.514 3.095 3.960 -2.300 0.000 0.308 352 G HA3 0.514 3.095 3.960 -2.300 0.000 0.308 352 G C -2.449 172.440 174.900 -0.018 0.000 1.263 352 G CA -0.947 44.143 45.100 -0.016 0.000 0.840 352 G HN 0.447 nan 8.290 nan 0.000 0.479 353 Y N -0.704 119.934 120.300 0.564 0.000 2.485 353 Y HA 0.711 3.882 4.550 -2.300 0.000 0.345 353 Y C -0.224 176.005 175.900 0.548 0.000 0.998 353 Y CA -0.746 57.699 58.100 0.575 0.000 1.059 353 Y CB 2.577 41.257 38.460 0.367 0.000 1.234 353 Y HN 0.782 nan 8.280 nan 0.000 0.461 354 H N 2.518 121.840 119.070 0.420 0.000 2.782 354 H HA 0.387 3.563 4.556 -2.300 0.000 0.347 354 H C -1.420 173.894 175.328 -0.024 0.000 1.038 354 H CA -0.783 55.178 56.048 -0.145 0.000 1.255 354 H CB 0.840 30.078 29.762 -0.872 0.000 1.623 354 H HN 0.752 nan 8.280 nan 0.000 0.525 355 H N 2.417 121.061 119.070 -0.710 0.000 2.589 355 H HA 0.477 3.653 4.556 -2.300 0.000 0.351 355 H C -1.179 173.796 175.328 -0.589 0.000 1.074 355 H CA -1.048 54.719 56.048 -0.469 0.000 1.203 355 H CB 1.402 31.013 29.762 -0.252 0.000 1.558 355 H HN 0.410 nan 8.280 nan 0.000 0.522 356 S N 3.377 118.882 115.700 -0.325 0.000 2.430 356 S HA 0.177 3.268 4.470 -2.300 0.000 0.289 356 S C 0.157 174.700 174.600 -0.096 0.000 1.143 356 S CA -0.438 57.629 58.200 -0.222 0.000 1.067 356 S CB 0.311 63.435 63.200 -0.127 0.000 0.964 356 S HN 0.678 nan 8.310 nan 0.000 0.485 357 N N 1.105 119.767 118.700 -0.063 0.000 3.369 357 N HA 0.412 3.773 4.740 -2.300 0.000 0.362 357 N C -0.280 175.207 175.510 -0.040 0.000 1.523 357 N CA -0.650 52.377 53.050 -0.040 0.000 0.684 357 N CB 0.947 39.445 38.487 0.018 0.000 1.796 357 N HN 0.289 nan 8.380 nan 0.000 0.641 358 D N -0.471 119.908 120.400 -0.034 0.000 2.417 358 D HA 0.156 3.416 4.640 -2.300 0.000 0.207 358 D C 0.550 176.839 176.300 -0.017 0.000 1.075 358 D CA 0.585 54.571 54.000 -0.023 0.000 0.851 358 D CB 0.786 41.576 40.800 -0.018 0.000 0.976 358 D HN 0.347 nan 8.370 nan 0.000 0.505 359 Q N 0.059 119.851 119.800 -0.013 0.000 2.093 359 Q HA 0.404 3.365 4.340 -2.300 0.000 0.234 359 Q C 1.200 177.195 176.000 -0.008 0.000 0.988 359 Q CA 0.592 56.392 55.803 -0.006 0.000 0.855 359 Q CB -0.124 28.614 28.738 0.001 0.000 1.026 359 Q HN 0.135 nan 8.270 nan 0.000 0.506 360 G N -0.845 107.959 108.800 0.007 0.000 3.209 360 G HA2 0.613 3.193 3.960 -2.300 0.000 0.236 360 G HA3 0.613 3.193 3.960 -2.300 0.000 0.236 360 G C -1.314 173.519 174.900 -0.110 0.000 1.329 360 G CA -0.189 44.895 45.100 -0.028 0.000 1.015 360 G HN 0.509 nan 8.290 nan 0.000 0.571 361 S N -2.559 113.012 115.700 -0.215 0.000 2.484 361 S HA 0.533 3.623 4.470 -2.300 0.000 0.330 361 S C -0.481 173.900 174.600 -0.364 0.000 0.882 361 S CA 0.158 58.064 58.200 -0.491 0.000 0.851 361 S CB 0.737 63.664 63.200 -0.456 0.000 1.146 361 S HN 2.491 nan 8.310 nan 0.000 0.466 362 G N 1.910 110.444 108.800 -0.444 0.000 2.823 362 G HA2 0.208 2.788 3.960 -2.300 0.000 0.235 362 G HA3 0.208 2.788 3.960 -2.300 0.000 0.235 362 G C -1.107 173.531 174.900 -0.437 0.000 3.696 362 G CA -0.815 43.906 45.100 -0.631 0.000 0.652 362 G HN 0.685 nan 8.290 nan 0.000 0.431 363 Y N 0.647 120.966 120.300 0.031 0.000 2.331 363 Y HA 0.652 3.823 4.550 -2.300 0.000 0.338 363 Y C 0.546 176.558 175.900 0.186 0.000 0.992 363 Y CA -0.301 57.868 58.100 0.116 0.000 1.121 363 Y CB 2.345 40.847 38.460 0.070 0.000 1.184 363 Y HN 0.679 nan 8.280 nan 0.000 0.469 364 A N 2.597 125.683 122.820 0.443 0.000 2.385 364 A HA 0.793 3.733 4.320 -2.300 0.000 0.290 364 A C -0.724 177.097 177.584 0.395 0.000 1.094 364 A CA -0.683 51.579 52.037 0.375 0.000 0.729 364 A CB 0.406 19.623 19.000 0.362 0.000 1.194 364 A HN 0.809 nan 8.150 nan 0.000 0.442 365 A N 1.900 124.884 122.820 0.273 0.000 2.425 365 A HA 0.485 3.426 4.320 -2.300 0.000 0.249 365 A C 0.078 177.798 177.584 0.227 0.000 1.084 365 A CA -0.164 51.997 52.037 0.207 0.000 0.781 365 A CB 0.189 19.250 19.000 0.103 0.000 1.019 365 A HN 0.745 nan 8.150 nan 0.000 0.490 366 D N 2.494 123.002 120.400 0.180 0.000 2.453 366 D HA 0.346 3.606 4.640 -2.300 0.000 0.223 366 D C 1.422 177.818 176.300 0.160 0.000 1.183 366 D CA 0.514 54.643 54.000 0.215 0.000 0.933 366 D CB 0.681 41.571 40.800 0.149 0.000 1.038 366 D HN 0.612 nan 8.370 nan 0.000 0.513 367 K N 3.639 124.121 120.400 0.136 0.000 2.009 367 K HA -0.194 2.746 4.320 -2.300 0.000 0.210 367 K C 1.683 178.341 176.600 0.096 0.000 1.049 367 K CA 1.436 57.774 56.287 0.085 0.000 0.929 367 K CB -0.781 31.761 32.500 0.070 0.000 0.714 367 K HN 0.567 nan 8.250 nan 0.000 0.440 368 E N 0.194 120.464 120.200 0.116 0.000 2.204 368 E HA -0.135 2.835 4.350 -2.300 0.000 0.195 368 E C 2.080 178.760 176.600 0.134 0.000 0.990 368 E CA 1.520 57.987 56.400 0.111 0.000 0.821 368 E CB -0.089 29.675 29.700 0.107 0.000 0.750 368 E HN 0.539 nan 8.360 nan 0.000 0.477 369 S N -1.141 114.662 115.700 0.172 0.000 2.456 369 S HA -0.005 3.085 4.470 -2.300 0.000 0.224 369 S C 1.849 176.650 174.600 0.334 0.000 1.035 369 S CA 0.929 59.259 58.200 0.217 0.000 0.940 369 S CB 0.019 63.345 63.200 0.209 0.000 0.799 369 S HN 0.252 nan 8.310 nan 0.000 0.508 370 T N 1.522 116.236 114.554 0.267 0.000 2.867 370 T HA -0.052 2.918 4.350 -2.300 0.000 0.268 370 T C 1.810 176.601 174.700 0.152 0.000 1.057 370 T CA 1.388 63.592 62.100 0.173 0.000 1.136 370 T CB -0.240 68.607 68.868 -0.036 0.000 0.874 370 T HN 0.316 nan 8.240 nan 0.000 0.466 371 Q N 1.792 121.662 119.800 0.118 0.000 2.046 371 Q HA 0.003 2.963 4.340 -2.300 0.000 0.200 371 Q C 2.200 178.293 176.000 0.156 0.000 0.975 371 Q CA 1.545 57.406 55.803 0.096 0.000 0.836 371 Q CB -0.291 28.488 28.738 0.070 0.000 0.896 371 Q HN 0.387 nan 8.270 nan 0.000 0.428 372 K N -0.745 119.763 120.400 0.179 0.000 2.211 372 K HA -0.144 2.796 4.320 -2.300 0.000 0.204 372 K C 1.558 178.340 176.600 0.303 0.000 1.047 372 K CA 1.334 57.740 56.287 0.199 0.000 0.935 372 K CB -0.130 32.471 32.500 0.169 0.000 0.728 372 K HN 0.254 nan 8.250 nan 0.000 0.452 373 A N 0.241 123.293 122.820 0.388 0.000 1.911 373 A HA 0.063 3.003 4.320 -2.300 0.000 0.212 373 A C 2.517 180.466 177.584 0.609 0.000 1.189 373 A CA 1.008 53.399 52.037 0.589 0.000 0.639 373 A CB -1.010 18.388 19.000 0.664 0.000 0.839 373 A HN 0.344 nan 8.150 nan 0.000 0.449 374 F N 0.539 120.766 119.950 0.462 0.000 2.126 374 F HA -0.205 2.943 4.527 -2.300 0.000 0.299 374 F C 2.090 178.021 175.800 0.219 0.000 1.096 374 F CA 2.120 60.296 58.000 0.294 0.000 1.255 374 F CB -1.145 37.866 39.000 0.018 0.000 0.997 374 F HN 0.345 nan 8.300 nan 0.000 0.479 375 D N 0.135 120.644 120.400 0.182 0.000 2.092 375 D HA -0.080 3.181 4.640 -2.300 0.000 0.193 375 D C 2.586 178.957 176.300 0.117 0.000 0.994 375 D CA 1.782 55.858 54.000 0.127 0.000 0.828 375 D CB -1.239 39.628 40.800 0.112 0.000 0.963 375 D HN 0.403 nan 8.370 nan 0.000 0.450 376 G N 0.955 109.846 108.800 0.151 0.000 2.480 376 G HA2 -0.260 2.320 3.960 -2.300 0.000 0.216 376 G HA3 -0.260 2.320 3.960 -2.300 0.000 0.216 376 G C 1.998 176.873 174.900 -0.041 0.000 1.200 376 G CA 1.052 46.165 45.100 0.022 0.000 0.782 376 G HN 0.243 nan 8.290 nan 0.000 0.554 377 I N 0.803 121.410 120.570 0.062 0.000 2.286 377 I HA -0.120 2.670 4.170 -2.300 0.000 0.248 377 I C 3.213 179.377 176.117 0.079 0.000 1.115 377 I CA 1.857 63.189 61.300 0.053 0.000 1.392 377 I CB -1.267 36.855 38.000 0.204 0.000 1.065 377 I HN 0.313 nan 8.210 nan 0.000 0.418 378 T N 0.105 114.728 114.554 0.115 0.000 2.720 378 T HA -0.214 2.756 4.350 -2.300 0.000 0.268 378 T C 1.940 176.664 174.700 0.041 0.000 1.037 378 T CA 1.706 63.855 62.100 0.082 0.000 1.144 378 T CB -0.460 68.455 68.868 0.079 0.000 0.864 378 T HN 0.434 nan 8.240 nan 0.000 0.444 379 N N 0.715 119.429 118.700 0.024 0.000 2.142 379 N HA -0.079 3.282 4.740 -2.300 0.000 0.186 379 N C 1.961 177.463 175.510 -0.014 0.000 1.023 379 N CA 1.029 54.080 53.050 0.002 0.000 0.852 379 N CB -0.156 38.326 38.487 -0.009 0.000 0.998 379 N HN 0.450 nan 8.380 nan 0.000 0.424 380 K N 1.090 121.467 120.400 -0.038 0.000 2.009 380 K HA -0.090 2.850 4.320 -2.300 0.000 0.210 380 K C 1.967 178.564 176.600 -0.006 0.000 1.049 380 K CA 1.131 57.391 56.287 -0.045 0.000 0.929 380 K CB -0.138 32.307 32.500 -0.092 0.000 0.714 380 K HN -0.126 nan 8.250 nan 0.000 0.440 381 V N 2.257 122.179 119.914 0.014 0.000 2.282 381 V HA -0.289 2.452 4.120 -2.300 0.000 0.249 381 V C 1.983 178.093 176.094 0.027 0.000 1.057 381 V CA 2.182 64.502 62.300 0.033 0.000 1.032 381 V CB -0.708 31.145 31.823 0.050 0.000 0.645 381 V HN 0.441 nan 8.190 nan 0.000 0.447 382 N N -0.232 118.479 118.700 0.020 0.000 2.309 382 N HA -0.087 3.273 4.740 -2.300 0.000 0.182 382 N C 2.070 177.585 175.510 0.009 0.000 1.018 382 N CA 1.386 54.444 53.050 0.013 0.000 0.876 382 N CB -0.300 38.195 38.487 0.012 0.000 0.972 382 N HN 0.391 nan 8.380 nan 0.000 0.434 383 S N -0.059 115.646 115.700 0.008 0.000 2.356 383 S HA -0.050 3.041 4.470 -2.300 0.000 0.223 383 S C 2.146 176.758 174.600 0.021 0.000 1.032 383 S CA 0.756 58.962 58.200 0.010 0.000 1.005 383 S CB -0.209 62.994 63.200 0.004 0.000 0.867 383 S HN 0.084 nan 8.310 nan 0.000 0.449 384 V N 1.974 121.906 119.914 0.031 0.000 2.343 384 V HA -0.138 2.602 4.120 -2.300 0.000 0.247 384 V C 1.992 178.104 176.094 0.029 0.000 1.051 384 V CA 1.505 63.839 62.300 0.056 0.000 1.036 384 V CB -0.611 31.261 31.823 0.081 0.000 0.654 384 V HN 0.452 nan 8.190 nan 0.000 0.451 385 I N 0.279 120.853 120.570 0.007 0.000 2.277 385 I HA -0.069 2.721 4.170 -2.300 0.000 0.243 385 I C 2.534 178.620 176.117 -0.052 0.000 1.094 385 I CA 1.329 62.608 61.300 -0.035 0.000 1.393 385 I CB -0.573 37.416 38.000 -0.019 0.000 1.078 385 I HN 0.250 nan 8.210 nan 0.000 0.417 386 A N 0.207 123.012 122.820 -0.026 0.000 2.119 386 A HA -0.060 2.880 4.320 -2.300 0.000 0.216 386 A C 2.053 179.623 177.584 -0.023 0.000 1.152 386 A CA 0.944 52.966 52.037 -0.026 0.000 0.708 386 A CB -0.175 18.818 19.000 -0.012 0.000 0.805 386 A HN 0.150 nan 8.150 nan 0.000 0.460 387 K N -1.091 119.301 120.400 -0.013 0.000 2.418 387 K HA 0.129 3.069 4.320 -2.300 0.000 0.195 387 K C 0.416 177.014 176.600 -0.003 0.000 1.035 387 K CA 0.042 56.332 56.287 0.004 0.000 1.003 387 K CB -0.244 32.273 32.500 0.029 0.000 0.793 387 K HN 0.529 nan 8.250 nan 0.000 0.494 388 M N 1.904 121.472 119.600 -0.053 0.000 2.188 388 M HA 0.027 3.127 4.480 -2.300 0.000 0.354 388 M C -0.133 176.105 176.300 -0.103 0.000 1.342 388 M CA 0.182 55.416 55.300 -0.110 0.000 1.117 388 M CB 0.261 32.707 32.600 -0.256 0.000 1.670 388 M HN -0.007 nan 8.290 nan 0.000 0.466 389 N N 2.930 121.580 118.700 -0.083 0.000 2.426 389 N HA 0.285 3.645 4.740 -2.300 0.000 0.257 389 N C -1.289 174.157 175.510 -0.106 0.000 1.002 389 N CA -0.204 52.807 53.050 -0.065 0.000 0.942 389 N CB 0.706 39.183 38.487 -0.015 0.000 1.112 389 N HN 0.756 nan 8.380 nan 0.000 0.499 390 T N 1.112 115.610 114.554 -0.094 0.000 3.060 390 T HA 0.207 3.177 4.350 -2.300 0.000 0.367 390 T C -0.058 174.611 174.700 -0.052 0.000 1.229 390 T CA -0.913 61.126 62.100 -0.101 0.000 1.104 390 T CB 0.694 69.490 68.868 -0.120 0.000 1.083 390 T HN 0.568 nan 8.240 nan 0.000 0.524 391 Q N 2.387 122.166 119.800 -0.034 0.000 2.212 391 Q HA 0.544 3.505 4.340 -2.300 0.000 0.238 391 Q C -0.581 175.444 176.000 0.041 0.000 0.955 391 Q CA -1.144 54.672 55.803 0.021 0.000 0.906 391 Q CB 1.076 29.833 28.738 0.032 0.000 1.215 391 Q HN 0.608 nan 8.270 nan 0.000 0.478 392 F N 0.734 120.653 119.950 -0.052 0.000 2.541 392 F HA 0.330 3.477 4.527 -2.300 0.000 0.378 392 F C 0.048 175.819 175.800 -0.047 0.000 1.068 392 F CA 0.859 58.826 58.000 -0.055 0.000 1.199 392 F CB 0.034 39.005 39.000 -0.049 0.000 1.091 392 F HN 0.803 nan 8.300 nan 0.000 0.555 393 E N 3.294 123.182 120.200 -0.521 0.000 2.445 393 E HA 0.774 3.745 4.350 -2.300 0.000 0.273 393 E C -0.750 175.543 176.600 -0.510 0.000 0.961 393 E CA -0.337 55.862 56.400 -0.334 0.000 0.807 393 E CB 1.361 30.963 29.700 -0.164 0.000 1.362 393 E HN 0.880 nan 8.360 nan 0.000 0.453 394 A N -0.964 121.717 122.820 -0.231 0.000 2.427 394 A HA 0.529 3.469 4.320 -2.300 0.000 0.225 394 A C 1.719 179.242 177.584 -0.102 0.000 1.257 394 A CA 1.351 53.275 52.037 -0.188 0.000 0.985 394 A CB -0.322 18.639 19.000 -0.066 0.000 1.136 394 A HN 1.551 nan 8.150 nan 0.000 0.538 395 V N -0.223 119.658 119.914 -0.055 0.000 0.629 395 V HA -0.366 2.374 4.120 -2.300 0.000 0.092 395 V C 1.691 177.794 176.094 0.014 0.000 1.516 395 V CA 1.779 64.073 62.300 -0.011 0.000 3.288 395 V CB -2.218 29.588 31.823 -0.029 0.000 0.553 395 V HN 1.311 nan 8.190 nan 0.000 0.561 396 G N 2.593 111.387 108.800 -0.010 0.000 2.287 396 G HA2 0.331 2.912 3.960 -2.300 0.000 0.235 396 G HA3 0.331 2.912 3.960 -2.300 0.000 0.235 396 G C -0.299 174.598 174.900 -0.005 0.000 1.258 396 G CA 0.600 45.701 45.100 0.001 0.000 0.884 396 G HN 0.637 nan 8.290 nan 0.000 0.518 397 K N 1.252 121.647 120.400 -0.009 0.000 2.512 397 K HA 0.364 3.304 4.320 -2.300 0.000 0.263 397 K C -0.894 175.533 176.600 -0.287 0.000 0.966 397 K CA -0.799 55.406 56.287 -0.136 0.000 0.851 397 K CB 2.686 35.138 32.500 -0.081 0.000 1.395 397 K HN 0.528 nan 8.250 nan 0.000 0.440 398 E N 1.645 121.490 120.200 -0.591 0.000 2.176 398 E HA 0.471 3.441 4.350 -2.300 0.000 0.267 398 E C -1.042 175.084 176.600 -0.791 0.000 0.893 398 E CA -0.525 55.587 56.400 -0.481 0.000 0.761 398 E CB 1.327 30.850 29.700 -0.294 0.000 1.133 398 E HN 0.301 nan 8.360 nan 0.000 0.409 399 F N 0.360 120.322 119.950 0.020 0.000 2.569 399 F HA 0.196 3.345 4.527 -2.296 0.000 0.312 399 F C 0.863 176.693 175.800 0.049 0.000 1.109 399 F CA -0.903 57.117 58.000 0.032 0.000 0.919 399 F CB 1.611 40.628 39.000 0.028 0.000 1.211 399 F HN 0.253 nan 8.300 nan 0.000 0.446 400 S N 0.758 116.601 115.700 0.239 0.000 2.617 400 S HA 0.132 3.223 4.470 -2.300 0.000 0.259 400 S C 0.678 175.375 174.600 0.161 0.000 1.301 400 S CA -0.607 57.702 58.200 0.181 0.000 0.984 400 S CB 0.446 63.747 63.200 0.168 0.000 0.954 400 S HN 0.750 nan 8.310 nan 0.000 0.572 401 N N -0.001 118.772 118.700 0.122 0.000 2.421 401 N HA 0.040 3.400 4.740 -2.300 0.000 0.201 401 N C 0.313 175.868 175.510 0.074 0.000 1.198 401 N CA 0.080 53.185 53.050 0.091 0.000 0.838 401 N CB -0.263 38.270 38.487 0.076 0.000 1.011 401 N HN 0.511 nan 8.380 nan 0.000 0.463 402 L N 0.300 121.574 121.223 0.085 0.000 3.066 402 L HA 0.253 3.213 4.340 -2.300 0.000 0.265 402 L C 0.238 177.147 176.870 0.066 0.000 1.232 402 L CA 0.185 55.065 54.840 0.066 0.000 1.031 402 L CB 0.300 42.400 42.059 0.068 0.000 1.379 402 L HN 0.055 nan 8.230 nan 0.000 0.563 403 E N -0.707 119.538 120.200 0.076 0.000 2.995 403 E HA 0.122 3.092 4.350 -2.300 0.000 0.203 403 E C 0.937 177.505 176.600 -0.053 0.000 0.980 403 E CA -0.317 56.114 56.400 0.052 0.000 1.172 403 E CB 0.715 30.522 29.700 0.179 0.000 1.088 403 E HN 0.055 nan 8.360 nan 0.000 0.463 404 R N 0.996 121.475 120.500 -0.034 0.000 2.105 404 R HA -0.068 2.892 4.340 -2.300 0.000 0.239 404 R C 1.863 178.089 176.300 -0.124 0.000 1.135 404 R CA 1.347 57.405 56.100 -0.070 0.000 0.967 404 R CB -0.230 30.054 30.300 -0.027 0.000 0.861 404 R HN 0.197 nan 8.270 nan 0.000 0.442 405 R N -0.525 119.916 120.500 -0.099 0.000 2.066 405 R HA -0.081 2.880 4.340 -2.300 0.000 0.232 405 R C 2.135 178.335 176.300 -0.166 0.000 1.131 405 R CA 1.153 57.191 56.100 -0.103 0.000 0.955 405 R CB -0.586 29.678 30.300 -0.060 0.000 0.851 405 R HN 0.075 nan 8.270 nan 0.000 0.432 406 L N 1.630 122.729 121.223 -0.206 0.000 2.012 406 L HA -0.206 2.754 4.340 -2.300 0.000 0.210 406 L C 2.279 178.748 176.870 -0.667 0.000 1.073 406 L CA 1.884 56.544 54.840 -0.301 0.000 0.748 406 L CB -0.527 41.417 42.059 -0.191 0.000 0.891 406 L HN 0.196 nan 8.230 nan 0.000 0.431 407 E N -0.917 118.700 120.200 -0.971 0.000 2.085 407 E HA -0.292 2.678 4.350 -2.300 0.000 0.194 407 E C 2.084 178.429 176.600 -0.425 0.000 0.994 407 E CA 1.456 57.209 56.400 -1.080 0.000 0.801 407 E CB -0.337 28.984 29.700 -0.632 0.000 0.743 407 E HN 0.637 nan 8.360 nan 0.000 0.453 408 N N 0.415 118.953 118.700 -0.270 0.000 2.244 408 N HA -0.147 3.213 4.740 -2.300 0.000 0.183 408 N C 2.142 177.582 175.510 -0.116 0.000 1.016 408 N CA 0.526 53.491 53.050 -0.142 0.000 0.866 408 N CB -0.041 38.385 38.487 -0.102 0.000 0.980 408 N HN 0.298 nan 8.380 nan 0.000 0.430 409 L N 1.147 122.286 121.223 -0.140 0.000 2.027 409 L HA -0.147 2.813 4.340 -2.300 0.000 0.206 409 L C 2.379 179.218 176.870 -0.051 0.000 1.074 409 L CA 1.120 55.910 54.840 -0.084 0.000 0.745 409 L CB -0.612 41.401 42.059 -0.076 0.000 0.898 409 L HN 0.295 nan 8.230 nan 0.000 0.433 410 N N 0.398 119.054 118.700 -0.073 0.000 2.166 410 N HA -0.297 3.064 4.740 -2.300 0.000 0.186 410 N C 1.928 177.468 175.510 0.050 0.000 1.019 410 N CA 1.608 54.680 53.050 0.037 0.000 0.856 410 N CB -0.008 38.560 38.487 0.135 0.000 0.993 410 N HN 0.354 nan 8.380 nan 0.000 0.426 411 K N 1.172 121.575 120.400 0.006 0.000 2.097 411 K HA -0.163 2.777 4.320 -2.300 0.000 0.205 411 K C 2.059 178.669 176.600 0.017 0.000 1.050 411 K CA 1.151 57.453 56.287 0.025 0.000 0.938 411 K CB -0.095 32.407 32.500 0.004 0.000 0.718 411 K HN -0.057 nan 8.250 nan 0.000 0.442 412 K N 0.839 121.232 120.400 -0.012 0.000 2.209 412 K HA -0.092 2.848 4.320 -2.300 0.000 0.204 412 K C 1.981 178.559 176.600 -0.037 0.000 1.048 412 K CA 1.388 57.658 56.287 -0.028 0.000 0.940 412 K CB -0.085 32.389 32.500 -0.044 0.000 0.729 412 K HN 0.231 nan 8.250 nan 0.000 0.451 413 M N -0.061 119.537 119.600 -0.005 0.000 2.216 413 M HA -0.095 3.006 4.480 -2.300 0.000 0.264 413 M C 1.358 177.714 176.300 0.092 0.000 1.080 413 M CA 1.396 56.694 55.300 -0.003 0.000 1.153 413 M CB -0.059 32.594 32.600 0.089 0.000 1.356 413 M HN 0.093 nan 8.290 nan 0.000 0.432 414 E N 0.865 121.163 120.200 0.163 0.000 2.085 414 E HA -0.225 2.745 4.350 -2.300 0.000 0.194 414 E C 1.564 178.283 176.600 0.199 0.000 0.994 414 E CA 1.465 58.003 56.400 0.230 0.000 0.801 414 E CB -0.700 29.102 29.700 0.171 0.000 0.743 414 E HN 0.552 nan 8.360 nan 0.000 0.453 415 D N 0.117 120.581 120.400 0.107 0.000 2.144 415 D HA -0.086 3.174 4.640 -2.300 0.000 0.199 415 D C 1.989 178.315 176.300 0.043 0.000 0.984 415 D CA 1.370 55.417 54.000 0.079 0.000 0.834 415 D CB -0.575 40.246 40.800 0.036 0.000 0.955 415 D HN 0.313 nan 8.370 nan 0.000 0.465 416 G N -0.316 108.457 108.800 -0.044 0.000 2.418 416 G HA2 -0.232 2.349 3.960 -2.300 0.000 0.217 416 G HA3 -0.232 2.349 3.960 -2.300 0.000 0.217 416 G C 1.504 176.316 174.900 -0.148 0.000 1.158 416 G CA 0.147 45.147 45.100 -0.166 0.000 0.771 416 G HN 0.257 nan 8.290 nan 0.000 0.545 417 F N -0.190 119.819 119.950 0.098 0.000 2.259 417 F HA 0.112 3.259 4.527 -2.300 0.000 0.298 417 F C 2.377 178.338 175.800 0.268 0.000 1.088 417 F CA 0.243 58.346 58.000 0.172 0.000 1.358 417 F CB -0.054 39.108 39.000 0.270 0.000 1.040 417 F HN 0.123 nan 8.300 nan 0.000 0.505 418 L N 0.244 121.691 121.223 0.373 0.000 2.056 418 L HA -0.203 2.757 4.340 -2.300 0.000 0.207 418 L C 1.843 178.831 176.870 0.197 0.000 1.078 418 L CA 1.873 56.891 54.840 0.296 0.000 0.749 418 L CB -0.678 41.517 42.059 0.226 0.000 0.901 418 L HN -0.071 nan 8.230 nan 0.000 0.433 419 D N -0.730 119.739 120.400 0.115 0.000 2.097 419 D HA -0.170 3.090 4.640 -2.300 0.000 0.195 419 D C 2.349 178.691 176.300 0.069 0.000 0.989 419 D CA 1.757 55.792 54.000 0.058 0.000 0.827 419 D CB -0.460 40.334 40.800 -0.010 0.000 0.966 419 D HN 0.255 nan 8.370 nan 0.000 0.456 420 V N 0.119 120.050 119.914 0.028 0.000 2.252 420 V HA -0.259 2.481 4.120 -2.300 0.000 0.249 420 V C 2.234 178.314 176.094 -0.023 0.000 1.056 420 V CA 1.731 64.002 62.300 -0.048 0.000 1.022 420 V CB -0.771 30.953 31.823 -0.164 0.000 0.641 420 V HN 0.289 nan 8.190 nan 0.000 0.445 421 W N 0.160 121.557 121.300 0.162 0.000 2.358 421 W HA -0.155 3.126 4.660 -2.300 0.000 0.303 421 W C 2.729 179.278 176.519 0.050 0.000 1.208 421 W CA 1.679 59.116 57.345 0.154 0.000 1.274 421 W CB -0.965 28.616 29.460 0.202 0.000 1.138 421 W HN 0.125 nan 8.180 nan 0.000 0.515 422 T N -0.247 114.440 114.554 0.222 0.000 2.652 422 T HA -0.346 2.624 4.350 -2.300 0.000 0.267 422 T C 1.361 176.083 174.700 0.035 0.000 1.039 422 T CA 1.831 63.959 62.100 0.046 0.000 1.153 422 T CB -1.007 67.872 68.868 0.018 0.000 0.863 422 T HN 0.129 nan 8.240 nan 0.000 0.428 423 Y N 2.693 122.975 120.300 -0.029 0.000 2.081 423 Y HA -0.237 2.933 4.550 -2.300 0.000 0.280 423 Y C 2.353 178.226 175.900 -0.044 0.000 1.163 423 Y CA 1.575 59.648 58.100 -0.046 0.000 1.135 423 Y CB -0.545 37.885 38.460 -0.049 0.000 0.970 423 Y HN 0.136 nan 8.280 nan 0.000 0.498 424 N N 0.174 118.914 118.700 0.067 0.000 2.069 424 N HA -0.202 3.158 4.740 -2.300 0.000 0.191 424 N C 1.980 177.470 175.510 -0.033 0.000 1.031 424 N CA 1.583 54.640 53.050 0.012 0.000 0.852 424 N CB -0.956 37.561 38.487 0.050 0.000 1.018 424 N HN 0.508 nan 8.380 nan 0.000 0.423 425 A N 1.806 124.598 122.820 -0.046 0.000 1.865 425 A HA -0.161 2.779 4.320 -2.300 0.000 0.217 425 A C 2.063 179.505 177.584 -0.236 0.000 1.191 425 A CA 1.428 53.322 52.037 -0.238 0.000 0.623 425 A CB -0.513 18.076 19.000 -0.686 0.000 0.826 425 A HN 0.214 nan 8.150 nan 0.000 0.444 426 E N -0.498 119.557 120.200 -0.242 0.000 2.058 426 E HA -0.208 2.762 4.350 -2.300 0.000 0.194 426 E C 1.982 178.447 176.600 -0.225 0.000 0.997 426 E CA 1.272 57.536 56.400 -0.226 0.000 0.801 426 E CB -0.469 29.098 29.700 -0.222 0.000 0.746 426 E HN 0.461 nan 8.360 nan 0.000 0.450 427 L N 0.571 121.615 121.223 -0.300 0.000 2.109 427 L HA -0.124 2.836 4.340 -2.300 0.000 0.207 427 L C 2.390 179.171 176.870 -0.148 0.000 1.086 427 L CA 0.733 55.411 54.840 -0.270 0.000 0.760 427 L CB -0.653 41.170 42.059 -0.394 0.000 0.910 427 L HN 0.123 nan 8.230 nan 0.000 0.437 428 L N -1.061 120.098 121.223 -0.107 0.000 1.970 428 L HA -0.198 2.762 4.340 -2.300 0.000 0.212 428 L C 2.451 179.296 176.870 -0.042 0.000 1.071 428 L CA 1.830 56.646 54.840 -0.040 0.000 0.751 428 L CB -0.822 41.250 42.059 0.021 0.000 0.889 428 L HN 0.044 nan 8.230 nan 0.000 0.432 429 V N -0.157 119.723 119.914 -0.057 0.000 2.282 429 V HA -0.351 2.389 4.120 -2.300 0.000 0.249 429 V C 2.660 178.722 176.094 -0.053 0.000 1.057 429 V CA 2.228 64.499 62.300 -0.048 0.000 1.032 429 V CB -0.659 31.124 31.823 -0.067 0.000 0.645 429 V HN 0.482 nan 8.190 nan 0.000 0.447 430 L N -1.352 119.826 121.223 -0.076 0.000 2.017 430 L HA -0.230 2.731 4.340 -2.300 0.000 0.208 430 L C 2.557 179.395 176.870 -0.055 0.000 1.073 430 L CA 1.899 56.698 54.840 -0.069 0.000 0.745 430 L CB -0.450 41.556 42.059 -0.089 0.000 0.894 430 L HN 0.324 nan 8.230 nan 0.000 0.432 431 M N -1.077 118.488 119.600 -0.057 0.000 2.132 431 M HA -0.157 2.943 4.480 -2.300 0.000 0.263 431 M C 2.152 178.432 176.300 -0.033 0.000 1.065 431 M CA 1.370 56.645 55.300 -0.043 0.000 1.122 431 M CB -0.272 32.302 32.600 -0.042 0.000 1.365 431 M HN 0.121 nan 8.290 nan 0.000 0.411 432 E N 0.365 120.547 120.200 -0.031 0.000 2.152 432 E HA -0.083 2.887 4.350 -2.300 0.000 0.192 432 E C 1.614 178.197 176.600 -0.029 0.000 0.983 432 E CA 0.823 57.205 56.400 -0.030 0.000 0.818 432 E CB -0.467 29.219 29.700 -0.024 0.000 0.758 432 E HN 0.457 nan 8.360 nan 0.000 0.467 433 N N 1.170 119.855 118.700 -0.024 0.000 2.166 433 N HA -0.157 3.203 4.740 -2.300 0.000 0.186 433 N C 1.681 177.182 175.510 -0.016 0.000 1.019 433 N CA 0.712 53.751 53.050 -0.017 0.000 0.856 433 N CB -0.179 38.298 38.487 -0.018 0.000 0.993 433 N HN 0.339 nan 8.380 nan 0.000 0.426 434 E N 0.891 121.079 120.200 -0.020 0.000 2.150 434 E HA -0.097 2.873 4.350 -2.300 0.000 0.193 434 E C 1.348 177.948 176.600 0.000 0.000 0.985 434 E CA 0.666 57.058 56.400 -0.014 0.000 0.814 434 E CB 0.219 29.907 29.700 -0.020 0.000 0.752 434 E HN 0.313 nan 8.360 nan 0.000 0.466 435 R N -0.526 119.971 120.500 -0.005 0.000 2.200 435 R HA 0.035 2.995 4.340 -2.300 0.000 0.208 435 R C 2.165 178.471 176.300 0.009 0.000 1.033 435 R CA 0.869 56.974 56.100 0.008 0.000 1.000 435 R CB -0.077 30.214 30.300 -0.014 0.000 0.906 435 R HN 0.099 nan 8.270 nan 0.000 0.462 436 T N 2.042 116.585 114.554 -0.020 0.000 2.770 436 T HA 0.010 2.981 4.350 -2.300 0.000 0.263 436 T C 2.012 176.712 174.700 0.000 0.000 1.039 436 T CA 0.811 62.887 62.100 -0.039 0.000 1.142 436 T CB -0.058 68.789 68.868 -0.035 0.000 0.868 436 T HN 0.083 nan 8.240 nan 0.000 0.435 437 L N 1.118 122.357 121.223 0.027 0.000 1.989 437 L HA -0.139 2.821 4.340 -2.300 0.000 0.211 437 L C 2.482 179.372 176.870 0.035 0.000 1.071 437 L CA 1.433 56.294 54.840 0.035 0.000 0.749 437 L CB -0.822 41.237 42.059 -0.001 0.000 0.890 437 L HN 0.189 nan 8.230 nan 0.000 0.431 438 D N -0.189 120.252 120.400 0.068 0.000 2.182 438 D HA -0.223 3.038 4.640 -2.300 0.000 0.201 438 D C 1.863 178.229 176.300 0.109 0.000 0.986 438 D CA 1.139 55.231 54.000 0.154 0.000 0.847 438 D CB -0.225 40.704 40.800 0.216 0.000 0.942 438 D HN 0.203 nan 8.370 nan 0.000 0.467 439 F N 1.706 121.581 119.950 -0.125 0.000 2.075 439 F HA -0.222 2.926 4.527 -2.299 0.000 0.297 439 F C 2.428 178.053 175.800 -0.291 0.000 1.113 439 F CA 1.607 59.463 58.000 -0.240 0.000 1.218 439 F CB -0.438 38.375 39.000 -0.312 0.000 0.984 439 F HN 0.039 nan 8.300 nan 0.000 0.472 440 H N -0.544 118.374 119.070 -0.254 0.000 2.352 440 H HA -0.162 3.014 4.556 -2.300 0.000 0.299 440 H C 1.964 177.032 175.328 -0.434 0.000 1.097 440 H CA 1.786 57.615 56.048 -0.365 0.000 1.311 440 H CB -0.871 28.734 29.762 -0.262 0.000 1.377 440 H HN 0.322 nan 8.280 nan 0.000 0.504 441 D N 0.103 120.384 120.400 -0.199 0.000 2.149 441 D HA -0.139 3.121 4.640 -2.300 0.000 0.198 441 D C 2.417 178.503 176.300 -0.357 0.000 0.990 441 D CA 1.464 55.324 54.000 -0.232 0.000 0.839 441 D CB -0.066 40.704 40.800 -0.049 0.000 0.948 441 D HN 0.222 nan 8.370 nan 0.000 0.460 442 S N -0.748 114.605 115.700 -0.579 0.000 2.387 442 S HA -0.097 2.993 4.470 -2.300 0.000 0.226 442 S C 1.789 175.990 174.600 -0.665 0.000 1.026 442 S CA 0.892 58.498 58.200 -0.989 0.000 0.972 442 S CB -0.297 62.108 63.200 -1.325 0.000 0.814 442 S HN 0.196 nan 8.310 nan 0.000 0.477 443 N N 1.297 119.581 118.700 -0.693 0.000 2.142 443 N HA -0.027 3.334 4.740 -2.300 0.000 0.186 443 N C 1.756 176.842 175.510 -0.705 0.000 1.023 443 N CA 1.340 53.949 53.050 -0.736 0.000 0.852 443 N CB -0.802 37.096 38.487 -0.981 0.000 0.998 443 N HN 0.295 nan 8.380 nan 0.000 0.424 444 V N 1.338 120.841 119.914 -0.685 0.000 2.358 444 V HA -0.190 2.550 4.120 -2.300 0.000 0.246 444 V C 2.359 178.338 176.094 -0.191 0.000 1.047 444 V CA 1.437 63.470 62.300 -0.446 0.000 1.035 444 V CB -0.402 31.208 31.823 -0.355 0.000 0.658 444 V HN 0.271 nan 8.190 nan 0.000 0.452 445 K N 0.939 121.230 120.400 -0.181 0.000 2.152 445 K HA -0.173 2.768 4.320 -2.300 0.000 0.206 445 K C 1.655 178.302 176.600 0.078 0.000 1.048 445 K CA 1.834 58.135 56.287 0.024 0.000 0.933 445 K CB -0.301 32.207 32.500 0.012 0.000 0.721 445 K HN 0.419 nan 8.250 nan 0.000 0.447 446 N N -0.029 118.628 118.700 -0.071 0.000 2.446 446 N HA -0.032 3.328 4.740 -2.300 0.000 0.179 446 N C 1.260 176.774 175.510 0.006 0.000 1.054 446 N CA 0.465 53.493 53.050 -0.037 0.000 0.905 446 N CB -0.036 38.380 38.487 -0.120 0.000 0.973 446 N HN 0.120 nan 8.380 nan 0.000 0.448 447 L N -0.136 121.080 121.223 -0.011 0.000 2.007 447 L HA -0.075 2.885 4.340 -2.300 0.000 0.205 447 L C 2.078 179.060 176.870 0.186 0.000 1.073 447 L CA 1.414 56.285 54.840 0.052 0.000 0.744 447 L CB -0.933 41.108 42.059 -0.030 0.000 0.898 447 L HN 0.106 nan 8.230 nan 0.000 0.435 448 Y N 0.559 120.936 120.300 0.129 0.000 2.102 448 Y HA -0.362 2.808 4.550 -2.300 0.000 0.280 448 Y C 2.214 178.247 175.900 0.221 0.000 1.178 448 Y CA 2.354 60.607 58.100 0.256 0.000 1.146 448 Y CB -0.341 38.309 38.460 0.316 0.000 0.968 448 Y HN 0.334 nan 8.280 nan 0.000 0.504 449 D N -0.371 120.155 120.400 0.209 0.000 2.224 449 D HA -0.113 3.148 4.640 -2.300 0.000 0.205 449 D C 1.799 178.092 176.300 -0.012 0.000 0.965 449 D CA 0.974 55.017 54.000 0.071 0.000 0.852 449 D CB -0.219 40.646 40.800 0.109 0.000 0.947 449 D HN 0.274 nan 8.370 nan 0.000 0.494 450 K N 0.248 120.659 120.400 0.018 0.000 2.555 450 K HA 0.012 2.952 4.320 -2.300 0.000 0.193 450 K C 0.992 177.563 176.600 -0.048 0.000 1.032 450 K CA 0.182 56.470 56.287 0.001 0.000 1.004 450 K CB 0.435 32.960 32.500 0.042 0.000 0.804 450 K HN 0.026 nan 8.250 nan 0.000 0.496 451 V N -0.589 119.253 119.914 -0.120 0.000 2.996 451 V HA -0.019 2.722 4.120 -2.300 0.000 0.235 451 V C 2.111 177.877 176.094 -0.547 0.000 1.205 451 V CA 0.397 62.519 62.300 -0.297 0.000 1.225 451 V CB 0.028 31.704 31.823 -0.245 0.000 0.995 451 V HN 0.238 nan 8.190 nan 0.000 0.484 452 R N 0.448 120.636 120.500 -0.519 0.000 2.094 452 R HA -0.187 2.774 4.340 -2.300 0.000 0.239 452 R C 2.085 178.202 176.300 -0.305 0.000 1.137 452 R CA 2.178 58.001 56.100 -0.463 0.000 0.943 452 R CB -0.312 29.856 30.300 -0.221 0.000 0.850 452 R HN 0.368 nan 8.270 nan 0.000 0.433 453 M N 0.224 119.707 119.600 -0.195 0.000 2.706 453 M HA -0.123 2.977 4.480 -2.300 0.000 0.251 453 M C 1.877 178.081 176.300 -0.159 0.000 1.070 453 M CA 1.183 56.397 55.300 -0.142 0.000 1.073 453 M CB 0.168 32.719 32.600 -0.081 0.000 1.449 453 M HN 0.388 nan 8.290 nan 0.000 0.531 454 Q N -0.505 119.167 119.800 -0.213 0.000 2.477 454 Q HA 0.131 3.091 4.340 -2.300 0.000 0.252 454 Q C 1.749 177.640 176.000 -0.182 0.000 0.869 454 Q CA 0.043 55.755 55.803 -0.151 0.000 0.969 454 Q CB 0.723 29.385 28.738 -0.126 0.000 1.144 454 Q HN 0.471 nan 8.270 nan 0.000 0.577 455 L N -0.032 120.952 121.223 -0.397 0.000 2.056 455 L HA 0.034 2.994 4.340 -2.300 0.000 0.202 455 L C 1.241 177.962 176.870 -0.250 0.000 1.086 455 L CA 1.135 55.725 54.840 -0.417 0.000 0.758 455 L CB -0.316 41.279 42.059 -0.772 0.000 0.912 455 L HN 0.234 nan 8.230 nan 0.000 0.446 456 R N -0.764 119.564 120.500 -0.287 0.000 3.229 456 R HA -0.272 2.689 4.340 -2.300 0.000 0.177 456 R C 1.262 177.543 176.300 -0.031 0.000 0.809 456 R CA 1.836 57.829 56.100 -0.179 0.000 1.390 456 R CB -1.637 28.495 30.300 -0.280 0.000 0.731 456 R HN 0.282 nan 8.270 nan 0.000 0.645 457 D N 0.551 121.011 120.400 0.099 0.000 2.301 457 D HA 0.045 3.306 4.640 -2.300 0.000 0.206 457 D C 0.938 177.503 176.300 0.442 0.000 0.979 457 D CA 0.631 54.805 54.000 0.291 0.000 0.874 457 D CB -0.323 40.703 40.800 0.377 0.000 0.968 457 D HN 0.273 nan 8.370 nan 0.000 0.510 458 N N 0.367 119.319 118.700 0.419 0.000 2.515 458 N HA 0.091 3.451 4.740 -2.300 0.000 0.191 458 N C 0.483 175.954 175.510 -0.065 0.000 1.182 458 N CA 0.214 53.500 53.050 0.395 0.000 0.879 458 N CB 0.587 39.378 38.487 0.506 0.000 0.984 458 N HN 0.191 nan 8.380 nan 0.000 0.453 459 V N -1.618 118.145 119.914 -0.252 0.000 3.147 459 V HA 0.436 3.176 4.120 -2.300 0.000 0.299 459 V C -0.740 175.130 176.094 -0.373 0.000 1.302 459 V CA -1.151 60.799 62.300 -0.584 0.000 1.015 459 V CB 1.911 33.342 31.823 -0.653 0.000 1.086 459 V HN -0.163 nan 8.190 nan 0.000 0.437 460 K N 1.598 121.764 120.400 -0.389 0.000 2.118 460 K HA 0.640 3.580 4.320 -2.300 0.000 0.254 460 K C -0.449 176.135 176.600 -0.028 0.000 0.961 460 K CA -0.531 55.675 56.287 -0.136 0.000 0.876 460 K CB 1.413 33.836 32.500 -0.128 0.000 1.077 460 K HN 0.838 nan 8.250 nan 0.000 0.440 461 E N 4.596 124.795 120.200 -0.001 0.000 1.941 461 E HA 0.016 2.986 4.350 -2.300 0.000 0.275 461 E C 0.857 177.410 176.600 -0.079 0.000 1.113 461 E CA -0.203 56.162 56.400 -0.058 0.000 0.878 461 E CB 0.583 30.276 29.700 -0.011 0.000 1.070 461 E HN 0.462 nan 8.360 nan 0.000 0.399 462 L N 1.278 122.432 121.223 -0.115 0.000 1.994 462 L HA -0.145 2.815 4.340 -2.300 0.000 0.208 462 L C 1.515 178.357 176.870 -0.047 0.000 1.071 462 L CA 2.485 57.287 54.840 -0.063 0.000 0.745 462 L CB -0.699 41.330 42.059 -0.049 0.000 0.892 462 L HN 0.819 nan 8.230 nan 0.000 0.431 463 G N -0.757 108.006 108.800 -0.062 0.000 4.083 463 G HA2 -0.219 2.362 3.960 -2.300 0.000 0.179 463 G HA3 -0.219 2.362 3.960 -2.300 0.000 0.179 463 G C 0.326 175.238 174.900 0.019 0.000 2.061 463 G CA 0.101 45.181 45.100 -0.034 0.000 1.122 463 G HN 0.372 nan 8.290 nan 0.000 0.350 464 N N 2.482 121.212 118.700 0.049 0.000 2.715 464 N HA 0.403 3.763 4.740 -2.300 0.000 0.254 464 N C 1.260 176.845 175.510 0.126 0.000 1.306 464 N CA 0.948 54.054 53.050 0.094 0.000 0.956 464 N CB -0.387 38.153 38.487 0.088 0.000 1.296 464 N HN 1.858 nan 8.380 nan 0.000 0.512 465 G N -1.111 107.763 108.800 0.123 0.000 2.221 465 G HA2 -0.278 2.302 3.960 -2.300 0.000 0.265 465 G HA3 -0.278 2.302 3.960 -2.300 0.000 0.265 465 G C -0.257 174.732 174.900 0.149 0.000 1.041 465 G CA 0.211 45.418 45.100 0.179 0.000 0.807 465 G HN 0.580 nan 8.290 nan 0.000 0.502 466 c N -0.757 117.822 118.600 -0.034 0.000 2.435 466 c HA 0.824 4.015 4.570 -2.300 0.000 0.333 466 c C 0.016 173.879 174.090 -0.378 0.000 1.202 466 c CA -0.778 55.512 56.329 -0.063 0.000 1.830 466 c CB 0.920 43.458 42.510 0.048 0.000 2.326 466 c HN 0.363 nan 8.230 nan 0.000 0.507 467 F N 1.525 121.501 119.950 0.042 0.000 2.460 467 F HA 0.346 3.493 4.527 -2.300 0.000 0.341 467 F C 0.476 176.177 175.800 -0.165 0.000 1.130 467 F CA -0.358 57.555 58.000 -0.146 0.000 0.962 467 F CB 0.906 39.714 39.000 -0.319 0.000 1.171 467 F HN 0.517 nan 8.300 nan 0.000 0.436 468 E N 3.450 123.614 120.200 -0.060 0.000 2.152 468 E HA 0.205 3.175 4.350 -2.300 0.000 0.285 468 E C -0.908 175.520 176.600 -0.286 0.000 1.043 468 E CA -0.523 55.823 56.400 -0.091 0.000 0.839 468 E CB 0.787 30.423 29.700 -0.107 0.000 1.069 468 E HN 0.348 nan 8.360 nan 0.000 0.399 469 F N 2.193 121.998 119.950 -0.241 0.000 2.484 469 F HA 0.038 3.185 4.527 -2.300 0.000 0.360 469 F C 0.499 176.135 175.800 -0.273 0.000 1.101 469 F CA 0.178 57.973 58.000 -0.343 0.000 1.251 469 F CB 0.399 39.157 39.000 -0.403 0.000 1.132 469 F HN 0.507 nan 8.300 nan 0.000 0.570 470 Y N 3.454 123.764 120.300 0.017 0.000 2.903 470 Y HA 0.256 3.426 4.550 -2.300 0.000 0.387 470 Y C -0.254 175.788 175.900 0.237 0.000 1.189 470 Y CA -0.483 57.687 58.100 0.116 0.000 1.856 470 Y CB -0.862 37.687 38.460 0.148 0.000 1.917 470 Y HN 0.752 nan 8.280 nan 0.000 0.448 471 H N -3.211 116.057 119.070 0.330 0.000 2.880 471 H HA 0.293 3.469 4.556 -2.300 0.000 0.246 471 H C -0.997 174.434 175.328 0.172 0.000 1.405 471 H CA -1.093 55.109 56.048 0.256 0.000 1.161 471 H CB -0.120 29.836 29.762 0.322 0.000 1.777 471 H HN -0.050 nan 8.280 nan 0.000 0.423 472 K N 0.427 121.058 120.400 0.384 0.000 2.315 472 K HA 0.536 3.477 4.320 -2.300 0.000 0.291 472 K C -0.268 176.478 176.600 0.243 0.000 1.074 472 K CA 0.020 56.433 56.287 0.210 0.000 0.936 472 K CB -0.320 32.279 32.500 0.165 0.000 1.049 472 K HN 0.760 nan 8.250 nan 0.000 0.471 473 c N 5.655 124.208 118.600 -0.077 0.000 2.184 473 c HA 0.303 3.493 4.570 -2.300 0.000 0.328 473 c C -0.028 173.931 174.090 -0.219 0.000 1.081 473 c CA -1.128 55.062 56.329 -0.231 0.000 1.533 473 c CB -1.303 40.690 42.510 -0.862 0.000 1.905 473 c HN 1.014 nan 8.230 nan 0.000 0.439 474 D N 2.649 123.000 120.400 -0.082 0.000 2.393 474 D HA 0.016 3.277 4.640 -2.300 0.000 0.246 474 D C 0.785 177.002 176.300 -0.140 0.000 1.275 474 D CA -0.092 53.857 54.000 -0.085 0.000 0.979 474 D CB 0.537 41.322 40.800 -0.025 0.000 1.101 474 D HN 0.357 nan 8.370 nan 0.000 0.505 475 D N -0.672 119.653 120.400 -0.124 0.000 2.190 475 D HA -0.146 3.114 4.640 -2.300 0.000 0.200 475 D C 1.537 177.756 176.300 -0.135 0.000 0.992 475 D CA 1.020 54.922 54.000 -0.164 0.000 0.854 475 D CB 0.059 40.803 40.800 -0.094 0.000 0.936 475 D HN 0.404 nan 8.370 nan 0.000 0.462 476 E N -0.497 119.660 120.200 -0.072 0.000 2.358 476 E HA -0.059 2.912 4.350 -2.300 0.000 0.195 476 E C 1.975 178.565 176.600 -0.018 0.000 1.010 476 E CA 0.058 56.436 56.400 -0.036 0.000 0.856 476 E CB -0.078 29.618 29.700 -0.007 0.000 0.795 476 E HN 0.307 nan 8.360 nan 0.000 0.504 477 c N 0.315 118.898 118.600 -0.027 0.000 2.492 477 c HA 0.059 3.249 4.570 -2.300 0.000 0.279 477 c C 2.301 176.345 174.090 -0.077 0.000 1.335 477 c CA 0.031 56.365 56.329 0.009 0.000 1.734 477 c CB -0.570 41.954 42.510 0.023 0.000 2.027 477 c HN 0.260 nan 8.230 nan 0.000 0.496 478 M N 1.506 120.980 119.600 -0.211 0.000 2.629 478 M HA -0.046 3.054 4.480 -2.300 0.000 0.257 478 M C 1.234 177.398 176.300 -0.227 0.000 1.071 478 M CA 1.092 56.212 55.300 -0.300 0.000 1.077 478 M CB -1.486 30.805 32.600 -0.514 0.000 1.423 478 M HN 0.509 nan 8.290 nan 0.000 0.508 479 N N -0.361 118.259 118.700 -0.134 0.000 2.282 479 N HA -0.006 3.354 4.740 -2.300 0.000 0.185 479 N C 1.617 177.104 175.510 -0.039 0.000 1.099 479 N CA 0.691 53.688 53.050 -0.088 0.000 0.878 479 N CB 0.282 38.737 38.487 -0.053 0.000 0.993 479 N HN 0.293 nan 8.380 nan 0.000 0.481 480 S N -1.385 114.317 115.700 0.004 0.000 2.436 480 S HA 0.015 3.106 4.470 -2.300 0.000 0.228 480 S C 1.748 176.390 174.600 0.070 0.000 1.014 480 S CA 0.577 58.824 58.200 0.079 0.000 0.950 480 S CB -0.274 63.032 63.200 0.177 0.000 0.784 480 S HN -0.015 nan 8.310 nan 0.000 0.504 481 V N 2.044 121.938 119.914 -0.033 0.000 2.379 481 V HA 0.008 2.748 4.120 -2.300 0.000 0.243 481 V C 2.583 178.525 176.094 -0.252 0.000 1.035 481 V CA 1.502 63.712 62.300 -0.151 0.000 1.035 481 V CB -0.661 31.026 31.823 -0.227 0.000 0.673 481 V HN 0.410 nan 8.190 nan 0.000 0.457 482 K N 1.802 121.981 120.400 -0.368 0.000 2.113 482 K HA -0.183 2.757 4.320 -2.300 0.000 0.208 482 K C 1.348 177.915 176.600 -0.055 0.000 1.047 482 K CA 1.798 57.834 56.287 -0.418 0.000 0.928 482 K CB -0.325 32.007 32.500 -0.281 0.000 0.716 482 K HN 0.657 nan 8.250 nan 0.000 0.446 483 N N -0.539 118.151 118.700 -0.017 0.000 2.279 483 N HA 0.055 3.415 4.740 -2.300 0.000 0.226 483 N C 0.621 176.161 175.510 0.050 0.000 1.126 483 N CA 0.545 53.621 53.050 0.043 0.000 0.846 483 N CB 0.577 39.090 38.487 0.042 0.000 1.050 483 N HN 0.214 nan 8.380 nan 0.000 0.502 484 G N 0.133 108.958 108.800 0.043 0.000 2.166 484 G HA2 -0.298 2.282 3.960 -2.300 0.000 0.260 484 G HA3 -0.298 2.282 3.960 -2.300 0.000 0.260 484 G C 0.125 175.067 174.900 0.070 0.000 0.986 484 G CA 0.898 46.031 45.100 0.055 0.000 0.683 484 G HN 0.858 nan 8.290 nan 0.000 0.527 485 T N -2.413 112.190 114.554 0.082 0.000 3.390 485 T HA 0.544 3.514 4.350 -2.300 0.000 0.351 485 T C -0.563 174.222 174.700 0.142 0.000 1.759 485 T CA -0.655 61.500 62.100 0.092 0.000 1.561 485 T CB 0.669 69.573 68.868 0.061 0.000 1.011 485 T HN 0.879 nan 8.240 nan 0.000 0.689 486 Y N 2.809 123.125 120.300 0.027 0.000 2.352 486 Y HA 0.519 3.689 4.550 -2.300 0.000 0.339 486 Y C -0.782 175.175 175.900 0.095 0.000 0.992 486 Y CA -1.184 56.948 58.100 0.053 0.000 1.100 486 Y CB 1.436 39.909 38.460 0.022 0.000 1.192 486 Y HN 0.579 nan 8.280 nan 0.000 0.458 487 D N 4.493 124.649 120.400 -0.407 0.000 2.232 487 D HA 0.029 3.289 4.640 -2.300 0.000 0.242 487 D C 0.012 176.064 176.300 -0.412 0.000 1.093 487 D CA -0.391 53.444 54.000 -0.274 0.000 0.845 487 D CB 1.178 41.900 40.800 -0.130 0.000 1.124 487 D HN 0.730 nan 8.370 nan 0.000 0.467 488 Y N 3.743 123.897 120.300 -0.243 0.000 2.206 488 Y HA 0.069 3.239 4.550 -2.300 0.000 0.292 488 Y C -1.018 174.866 175.900 -0.028 0.000 1.123 488 Y CA 0.684 58.738 58.100 -0.076 0.000 1.142 488 Y CB -1.285 37.208 38.460 0.056 0.000 1.006 488 Y HN 0.300 nan 8.280 nan 0.000 0.518 489 P HA -0.303 nan 4.420 nan 0.000 0.217 489 P C 1.414 178.571 177.300 -0.239 0.000 1.162 489 P CA 2.767 65.763 63.100 -0.173 0.000 0.901 489 P CB -0.227 31.421 31.700 -0.087 0.000 0.793 490 K N -0.836 119.415 120.400 -0.248 0.000 2.074 490 K HA -0.183 2.757 4.320 -2.300 0.000 0.209 490 K C 0.219 176.482 176.600 -0.562 0.000 1.048 490 K CA 1.374 57.410 56.287 -0.418 0.000 0.926 490 K CB -0.446 31.723 32.500 -0.553 0.000 0.713 490 K HN 0.174 nan 8.250 nan 0.000 0.444 491 Y N 1.467 121.571 120.300 -0.327 0.000 2.907 491 Y HA 0.195 3.366 4.550 -2.300 0.000 0.332 491 Y C -0.348 175.387 175.900 -0.274 0.000 1.211 491 Y CA -0.657 57.234 58.100 -0.349 0.000 1.387 491 Y CB 0.837 38.981 38.460 -0.527 0.000 1.396 491 Y HN -0.030 nan 8.280 nan 0.000 0.519 492 E N 2.170 122.272 120.200 -0.162 0.000 2.663 492 E HA 0.119 3.089 4.350 -2.300 0.000 0.240 492 E C -0.689 175.874 176.600 -0.061 0.000 1.227 492 E CA -0.173 56.136 56.400 -0.151 0.000 1.528 492 E CB 0.103 29.694 29.700 -0.182 0.000 1.472 492 E HN 0.718 nan 8.360 nan 0.000 0.433 493 E N 1.040 121.248 120.200 0.013 0.000 2.081 493 E HA 0.175 3.145 4.350 -2.300 0.000 0.276 493 E C -0.464 176.161 176.600 0.041 0.000 0.950 493 E CA -0.199 56.225 56.400 0.040 0.000 0.776 493 E CB 1.116 30.872 29.700 0.094 0.000 1.094 493 E HN 0.061 nan 8.360 nan 0.000 0.402 494 E N 1.975 122.165 120.200 -0.016 0.000 1.963 494 E HA 0.124 3.094 4.350 -2.300 0.000 0.274 494 E C -0.430 176.110 176.600 -0.101 0.000 1.061 494 E CA -0.192 56.161 56.400 -0.079 0.000 0.847 494 E CB 0.742 30.402 29.700 -0.066 0.000 1.083 494 E HN 0.273 nan 8.360 nan 0.000 0.402 495 S N 3.618 119.222 115.700 -0.160 0.000 2.704 495 S HA 0.077 3.167 4.470 -2.300 0.000 0.241 495 S C -0.254 174.195 174.600 -0.252 0.000 1.264 495 S CA -0.332 57.789 58.200 -0.131 0.000 1.236 495 S CB -0.434 62.756 63.200 -0.016 0.000 0.928 495 S HN 0.423 nan 8.310 nan 0.000 0.492 496 K N 0.000 120.250 120.400 -0.250 0.000 2.780 496 K HA 0.000 2.940 4.320 -2.300 0.000 0.191 496 K CA 0.000 56.148 56.287 -0.231 0.000 0.838 496 K CB 0.000 32.233 32.500 -0.446 0.000 1.064 496 K HN 0.000 nan 8.250 nan 0.000 0.543