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 2jk6_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSRAYDLVVL GAGSGGLEAG WNAAVTHKKK VAVVDVQATH GPPLFAALGG DATA SEQUENCE TcVNVGcVPK KLMVTGAQYM DLIRESGGFG WEMDRESLCP NWKTLIAAKN DATA SEQUENCE KVVNSINESY KSMFADTEGL SFHMGFGALQ DAHTVVVRKS EDPHSDVLET DATA SEQUENCE LDTEYILIAT GSWPTRLGVP GDEFCITSNE AFYLEDAPKR MLCVGGGYIA DATA SEQUENCE VEFAGIFNGY KPCGGYVDLC YRGDLILRGF DTEVRKSLTK QLGANGIRVR DATA SEQUENCE TNLNPTKITK NEDGSNHVHF NDGTEEDYDQ VMLAIGRVPR SQALQLDKAG DATA SEQUENCE VRTGKNGAVQ VDAYSKTSVD NIYAIGDVTN RVMLTPVAIN EGAAFVETVF DATA SEQUENCE GGKPRATDHT KVACAVFSIP PIGTCGMTEE EAAKNYETVA VYASSFTPLM DATA SEQUENCE HNISGSKHKE FMIRIITNES NGEVLGVHML GDSAPEIIQS VGICMKMGAK DATA SEQUENCE ISDFHSTIGV HPTSAEELCS MRTPAYFYES GKRVEKLSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 S N -0.035 115.662 115.700 -0.004 0.000 2.666 2 S HA 0.396 4.887 4.470 0.036 0.000 0.239 2 S C 0.113 174.699 174.600 -0.022 0.000 1.031 2 S CA -0.319 57.870 58.200 -0.017 0.000 1.015 2 S CB 0.681 63.867 63.200 -0.023 0.000 0.981 2 S HN 0.692 nan 8.310 nan 0.000 0.547 3 R N 0.117 120.609 120.500 -0.012 0.000 2.803 3 R HA 0.811 5.172 4.340 0.036 0.000 0.276 3 R C 1.034 177.301 176.300 -0.055 0.000 0.978 3 R CA 0.254 56.348 56.100 -0.009 0.000 0.939 3 R CB 1.246 31.572 30.300 0.042 0.000 1.179 3 R HN 0.100 nan 8.270 nan 0.000 0.472 4 A N 1.992 124.746 122.820 -0.110 0.000 1.898 4 A HA -0.011 4.330 4.320 0.036 0.000 0.216 4 A C -0.209 177.055 177.584 -0.534 0.000 1.181 4 A CA 1.379 53.208 52.037 -0.346 0.000 0.620 4 A CB -0.206 18.543 19.000 -0.419 0.000 0.819 4 A HN 0.569 nan 8.150 nan 0.000 0.442 5 Y N -1.806 118.526 120.300 0.053 0.000 2.512 5 Y HA 0.340 4.912 4.550 0.037 0.000 0.348 5 Y C 0.405 176.370 175.900 0.107 0.000 0.990 5 Y CA -1.116 57.025 58.100 0.069 0.000 1.033 5 Y CB 1.523 40.018 38.460 0.058 0.000 1.259 5 Y HN 0.054 nan 8.280 nan 0.000 0.461 6 D N 1.036 121.605 120.400 0.283 0.000 2.137 6 D HA -0.007 4.654 4.640 0.036 0.000 0.202 6 D C -0.156 176.401 176.300 0.428 0.000 0.970 6 D CA 1.420 55.608 54.000 0.313 0.000 0.837 6 D CB 0.707 41.617 40.800 0.183 0.000 0.981 6 D HN 0.266 nan 8.370 nan 0.000 0.475 7 L N 1.009 122.416 121.223 0.306 0.000 2.410 7 L HA 0.334 4.695 4.340 0.036 0.000 0.270 7 L C -1.449 175.517 176.870 0.160 0.000 0.983 7 L CA -0.566 54.461 54.840 0.313 0.000 0.822 7 L CB 2.793 45.007 42.059 0.259 0.000 1.285 7 L HN -0.334 nan 8.230 nan 0.000 0.409 8 V N 5.127 125.119 119.914 0.131 0.000 2.357 8 V HA 0.346 4.487 4.120 0.036 0.000 0.284 8 V C -0.174 175.943 176.094 0.038 0.000 1.018 8 V CA -0.550 61.746 62.300 -0.007 0.000 0.841 8 V CB 1.996 33.778 31.823 -0.068 0.000 0.991 8 V HN 0.432 nan 8.190 nan 0.000 0.437 9 V N 6.903 126.834 119.914 0.028 0.000 2.364 9 V HA 0.364 4.506 4.120 0.036 0.000 0.272 9 V C 0.067 176.171 176.094 0.018 0.000 1.036 9 V CA -0.464 61.858 62.300 0.038 0.000 0.880 9 V CB 1.442 33.309 31.823 0.074 0.000 0.991 9 V HN 0.644 nan 8.190 nan 0.000 0.460 10 L N 5.585 126.811 121.223 0.005 0.000 2.334 10 L HA 0.661 5.022 4.340 0.036 0.000 0.286 10 L C 0.775 177.651 176.870 0.010 0.000 1.108 10 L CA 0.547 55.387 54.840 -0.001 0.000 0.875 10 L CB 0.382 42.440 42.059 -0.002 0.000 1.246 10 L HN 0.990 nan 8.230 nan 0.000 0.439 11 G N 2.795 111.606 108.800 0.019 0.000 3.444 11 G HA2 0.088 4.070 3.960 0.036 0.000 0.685 11 G HA3 0.088 4.070 3.960 0.036 0.000 0.685 11 G C -0.240 174.690 174.900 0.050 0.000 1.145 11 G CA -0.482 44.636 45.100 0.030 0.000 0.973 11 G HN 0.757 nan 8.290 nan 0.000 0.525 12 A N 1.870 124.725 122.820 0.059 0.000 3.197 12 A HA 0.737 5.078 4.320 0.036 0.000 0.263 12 A C 1.429 178.994 177.584 -0.031 0.000 1.524 12 A CA 1.151 53.212 52.037 0.040 0.000 1.176 12 A CB -0.376 18.653 19.000 0.048 0.000 1.096 12 A HN 2.028 nan 8.150 nan 0.000 0.655 13 G N -0.629 108.171 108.800 0.001 0.000 2.509 13 G HA2 0.353 4.334 3.960 0.036 0.000 0.269 13 G HA3 0.353 4.334 3.960 0.036 0.000 0.269 13 G C 1.122 176.020 174.900 -0.003 0.000 1.416 13 G CA 0.453 45.555 45.100 0.004 0.000 1.052 13 G HN 0.300 nan 8.290 nan 0.000 0.542 14 S N -0.335 115.378 115.700 0.021 0.000 2.359 14 S HA -0.136 4.355 4.470 0.036 0.000 0.224 14 S C 2.434 177.053 174.600 0.032 0.000 1.035 14 S CA 1.742 59.959 58.200 0.027 0.000 1.018 14 S CB -0.630 62.593 63.200 0.038 0.000 0.876 14 S HN 0.776 nan 8.310 nan 0.000 0.448 15 G N 0.859 109.681 108.800 0.036 0.000 2.396 15 G HA2 0.119 4.100 3.960 0.036 0.000 0.214 15 G HA3 0.119 4.100 3.960 0.036 0.000 0.214 15 G C 1.434 176.360 174.900 0.043 0.000 1.166 15 G CA 0.735 45.860 45.100 0.041 0.000 0.793 15 G HN 0.552 nan 8.290 nan 0.000 0.533 16 G N 1.235 110.055 108.800 0.032 0.000 2.514 16 G HA2 -0.215 3.766 3.960 0.036 0.000 0.217 16 G HA3 -0.215 3.766 3.960 0.036 0.000 0.217 16 G C 1.805 176.747 174.900 0.071 0.000 1.198 16 G CA 0.875 46.000 45.100 0.041 0.000 0.780 16 G HN 0.386 nan 8.290 nan 0.000 0.565 17 L N 0.253 121.502 121.223 0.044 0.000 2.046 17 L HA -0.077 4.284 4.340 0.036 0.000 0.208 17 L C 2.825 179.757 176.870 0.103 0.000 1.077 17 L CA 1.566 56.431 54.840 0.042 0.000 0.747 17 L CB -0.361 41.645 42.059 -0.088 0.000 0.896 17 L HN 0.335 nan 8.230 nan 0.000 0.432 18 E N 0.620 120.876 120.200 0.093 0.000 2.038 18 E HA -0.246 4.125 4.350 0.036 0.000 0.195 18 E C 2.074 178.801 176.600 0.211 0.000 1.000 18 E CA 1.832 58.313 56.400 0.135 0.000 0.803 18 E CB -0.178 29.581 29.700 0.098 0.000 0.750 18 E HN 0.365 nan 8.360 nan 0.000 0.448 19 A N 0.370 123.305 122.820 0.192 0.000 1.845 19 A HA -0.055 4.287 4.320 0.036 0.000 0.215 19 A C 2.572 180.293 177.584 0.229 0.000 1.195 19 A CA 2.089 54.280 52.037 0.256 0.000 0.616 19 A CB -1.613 17.550 19.000 0.271 0.000 0.832 19 A HN 0.451 nan 8.150 nan 0.000 0.443 20 G N -1.141 107.773 108.800 0.190 0.000 2.476 20 G HA2 -0.338 3.643 3.960 0.036 0.000 0.218 20 G HA3 -0.338 3.643 3.960 0.036 0.000 0.218 20 G C 1.540 176.516 174.900 0.127 0.000 1.164 20 G CA 1.121 46.312 45.100 0.152 0.000 0.768 20 G HN 0.720 nan 8.290 nan 0.000 0.560 21 W N 1.732 123.018 121.300 -0.024 0.000 2.355 21 W HA -0.115 4.566 4.660 0.036 0.000 0.309 21 W C 2.038 178.546 176.519 -0.018 0.000 1.206 21 W CA 1.402 58.714 57.345 -0.055 0.000 1.284 21 W CB -0.405 29.020 29.460 -0.060 0.000 1.145 21 W HN 0.158 nan 8.180 nan 0.000 0.502 22 N N 1.115 119.891 118.700 0.126 0.000 2.058 22 N HA -0.165 4.596 4.740 0.036 0.000 0.191 22 N C 2.016 177.514 175.510 -0.019 0.000 1.037 22 N CA 2.540 55.621 53.050 0.051 0.000 0.848 22 N CB -1.151 37.457 38.487 0.202 0.000 1.021 22 N HN 0.190 nan 8.380 nan 0.000 0.422 23 A N 0.858 123.663 122.820 -0.024 0.000 1.940 23 A HA -0.044 4.298 4.320 0.036 0.000 0.219 23 A C 2.342 179.804 177.584 -0.204 0.000 1.176 23 A CA 2.126 54.054 52.037 -0.182 0.000 0.631 23 A CB -0.768 17.986 19.000 -0.410 0.000 0.814 23 A HN 0.359 nan 8.150 nan 0.000 0.446 24 A N -0.378 122.312 122.820 -0.217 0.000 1.872 24 A HA 0.091 4.432 4.320 0.036 0.000 0.214 24 A C 2.355 179.743 177.584 -0.327 0.000 1.187 24 A CA 2.218 54.111 52.037 -0.241 0.000 0.614 24 A CB -1.072 17.795 19.000 -0.222 0.000 0.826 24 A HN 1.111 nan 8.150 nan 0.000 0.442 25 V N -2.483 117.114 119.914 -0.528 0.000 2.374 25 V HA -0.071 4.070 4.120 0.036 0.000 0.241 25 V C 2.247 178.115 176.094 -0.377 0.000 1.034 25 V CA 2.225 64.189 62.300 -0.560 0.000 1.037 25 V CB -1.625 29.616 31.823 -0.970 0.000 0.682 25 V HN 0.513 nan 8.190 nan 0.000 0.463 26 T N -1.727 112.605 114.554 -0.370 0.000 3.023 26 T HA 0.029 4.401 4.350 0.036 0.000 0.266 26 T C 1.447 175.764 174.700 -0.638 0.000 1.093 26 T CA 1.547 63.385 62.100 -0.437 0.000 1.129 26 T CB -0.440 68.177 68.868 -0.418 0.000 0.899 26 T HN 0.717 nan 8.240 nan 0.000 0.491 27 H N 0.527 119.506 119.070 -0.152 0.000 3.078 27 H HA 0.355 4.932 4.556 0.035 0.000 0.263 27 H C 0.019 175.265 175.328 -0.136 0.000 1.177 27 H CA -0.432 55.544 56.048 -0.121 0.000 1.128 27 H CB 0.420 30.115 29.762 -0.112 0.000 1.623 27 H HN 0.334 nan 8.280 nan 0.000 0.592 28 K N 1.858 122.204 120.400 -0.091 0.000 3.071 28 K HA -0.174 4.168 4.320 0.036 0.000 0.262 28 K C -0.153 176.404 176.600 -0.072 0.000 0.977 28 K CA 0.571 56.804 56.287 -0.089 0.000 0.721 28 K CB -0.544 31.916 32.500 -0.067 0.000 1.293 28 K HN 0.197 nan 8.250 nan 0.000 0.475 29 K N 1.103 121.432 120.400 -0.118 0.000 2.095 29 K HA 0.272 4.613 4.320 0.036 0.000 0.252 29 K C 0.122 176.685 176.600 -0.062 0.000 0.977 29 K CA -0.607 55.601 56.287 -0.132 0.000 0.900 29 K CB 0.923 33.207 32.500 -0.359 0.000 1.060 29 K HN 0.028 nan 8.250 nan 0.000 0.449 30 K N 1.379 121.788 120.400 0.014 0.000 2.273 30 K HA 0.226 4.567 4.320 0.036 0.000 0.287 30 K C -0.566 176.154 176.600 0.200 0.000 1.089 30 K CA -0.306 56.059 56.287 0.129 0.000 0.909 30 K CB 0.663 33.252 32.500 0.147 0.000 1.123 30 K HN 0.173 nan 8.250 nan 0.000 0.473 31 V N 2.229 122.242 119.914 0.165 0.000 2.459 31 V HA 0.597 4.738 4.120 0.036 0.000 0.295 31 V C -0.251 175.911 176.094 0.113 0.000 1.029 31 V CA -1.049 61.322 62.300 0.118 0.000 0.874 31 V CB 1.585 33.445 31.823 0.063 0.000 0.985 31 V HN 0.793 nan 8.190 nan 0.000 0.438 32 A N 4.371 127.132 122.820 -0.099 0.000 2.331 32 A HA 0.865 5.206 4.320 0.036 0.000 0.320 32 A C -0.868 176.709 177.584 -0.012 0.000 1.138 32 A CA -0.550 51.361 52.037 -0.211 0.000 0.790 32 A CB 1.532 19.869 19.000 -1.105 0.000 1.206 32 A HN 0.683 nan 8.150 nan 0.000 0.470 33 V N 3.256 123.298 119.914 0.213 0.000 2.444 33 V HA 0.420 4.561 4.120 0.036 0.000 0.294 33 V C -0.446 175.744 176.094 0.160 0.000 1.022 33 V CA -0.511 61.925 62.300 0.226 0.000 0.850 33 V CB 1.574 33.655 31.823 0.430 0.000 0.992 33 V HN 0.647 nan 8.190 nan 0.000 0.426 34 V N 4.350 124.295 119.914 0.053 0.000 2.370 34 V HA 0.596 4.737 4.120 0.036 0.000 0.283 34 V C -0.397 175.708 176.094 0.018 0.000 1.023 34 V CA -0.246 62.022 62.300 -0.053 0.000 0.857 34 V CB 1.601 33.364 31.823 -0.100 0.000 0.985 34 V HN 0.908 nan 8.190 nan 0.000 0.443 35 D N 2.544 122.973 120.400 0.049 0.000 2.570 35 D HA 0.377 5.039 4.640 0.036 0.000 0.244 35 D C 0.606 176.873 176.300 -0.055 0.000 1.178 35 D CA -0.487 53.559 54.000 0.075 0.000 0.881 35 D CB 3.144 44.078 40.800 0.224 0.000 1.453 35 D HN 0.151 nan 8.370 nan 0.000 0.447 36 V N 0.835 120.631 119.914 -0.197 0.000 2.358 36 V HA -0.139 4.002 4.120 0.036 0.000 0.246 36 V C 0.960 176.958 176.094 -0.160 0.000 1.047 36 V CA 1.708 63.757 62.300 -0.417 0.000 1.035 36 V CB -0.387 31.081 31.823 -0.592 0.000 0.658 36 V HN 0.580 nan 8.190 nan 0.000 0.452 37 Q N -2.452 117.346 119.800 -0.003 0.000 2.693 37 Q HA 0.728 5.089 4.340 0.036 0.000 0.306 37 Q C 0.160 176.220 176.000 0.099 0.000 0.969 37 Q CA -0.087 55.751 55.803 0.058 0.000 0.757 37 Q CB 1.877 30.615 28.738 -0.001 0.000 1.494 37 Q HN -0.090 nan 8.270 nan 0.000 0.459 38 A N 0.169 123.020 122.820 0.053 0.000 2.014 38 A HA 0.228 4.569 4.320 0.036 0.000 0.210 38 A C 0.738 178.297 177.584 -0.040 0.000 1.188 38 A CA 1.432 53.438 52.037 -0.052 0.000 0.731 38 A CB 0.049 19.044 19.000 -0.008 0.000 0.858 38 A HN 0.769 nan 8.150 nan 0.000 0.464 39 T N -1.912 112.637 114.554 -0.008 0.000 2.916 39 T HA 0.529 4.901 4.350 0.036 0.000 0.292 39 T C -0.209 174.500 174.700 0.015 0.000 1.055 39 T CA -0.292 61.820 62.100 0.020 0.000 1.009 39 T CB 0.894 69.751 68.868 -0.019 0.000 1.118 39 T HN 0.552 nan 8.240 nan 0.000 0.497 40 H N -0.305 118.794 119.070 0.048 0.000 2.836 40 H HA 0.590 5.166 4.556 0.033 0.000 0.368 40 H C 0.574 175.937 175.328 0.059 0.000 1.164 40 H CA 0.315 56.419 56.048 0.094 0.000 1.425 40 H CB -0.086 29.765 29.762 0.149 0.000 1.414 40 H HN 1.291 nan 8.280 nan 0.000 0.614 41 G N 0.781 109.581 108.800 0.000 0.000 2.334 41 G HA2 0.075 4.057 3.960 0.036 0.000 0.566 41 G HA3 0.075 4.057 3.960 0.036 0.000 0.566 41 G C -3.308 171.228 174.900 -0.608 0.000 1.413 41 G CA -0.803 44.042 45.100 -0.424 0.000 0.993 41 G HN 0.719 nan 8.290 nan 0.000 0.642 42 P HA 0.261 nan 4.420 nan 0.000 0.269 42 P C -1.845 175.130 177.300 -0.541 0.000 1.215 42 P CA -0.837 61.630 63.100 -1.056 0.000 0.780 42 P CB 0.772 32.033 31.700 -0.731 0.000 0.898 43 P HA 0.206 nan 4.420 nan 0.000 0.255 43 P C 0.934 177.967 177.300 -0.445 0.000 1.248 43 P CA 0.404 63.219 63.100 -0.474 0.000 0.807 43 P CB 0.268 31.873 31.700 -0.157 0.000 1.150 44 L N -3.077 117.932 121.223 -0.356 0.000 2.463 44 L HA 0.148 4.510 4.340 0.036 0.000 0.219 44 L C 1.159 178.157 176.870 0.215 0.000 1.088 44 L CA 0.237 55.081 54.840 0.006 0.000 0.849 44 L CB -0.482 41.598 42.059 0.035 0.000 1.012 44 L HN -0.204 nan 8.230 nan 0.000 0.468 45 F N -0.906 119.137 119.950 0.154 0.000 2.550 45 F HA -0.408 4.114 4.527 -0.009 0.000 0.715 45 F C 1.401 177.325 175.800 0.206 0.000 0.486 45 F CA 0.832 58.948 58.000 0.194 0.000 0.724 45 F CB -1.913 37.242 39.000 0.258 0.000 1.603 45 F HN 0.072 nan 8.300 nan 0.000 0.270 46 A N 1.505 124.593 122.820 0.447 0.000 2.445 46 A HA 0.683 5.024 4.320 0.036 0.000 0.242 46 A C 0.347 178.032 177.584 0.169 0.000 1.075 46 A CA 0.743 52.951 52.037 0.285 0.000 0.777 46 A CB 0.248 19.432 19.000 0.306 0.000 1.013 46 A HN 1.607 nan 8.150 nan 0.000 0.493 47 A N 0.830 123.718 122.820 0.115 0.000 2.593 47 A HA 0.638 4.979 4.320 0.036 0.000 0.304 47 A C -0.467 177.117 177.584 -0.001 0.000 1.233 47 A CA -0.718 51.352 52.037 0.056 0.000 0.661 47 A CB -0.029 19.013 19.000 0.070 0.000 1.338 47 A HN 1.139 nan 8.150 nan 0.000 0.495 48 L N 0.803 121.977 121.223 -0.081 0.000 2.660 48 L HA 0.330 4.691 4.340 0.036 0.000 0.272 48 L C 1.317 178.074 176.870 -0.188 0.000 1.194 48 L CA 2.032 56.737 54.840 -0.225 0.000 0.945 48 L CB 0.207 42.017 42.059 -0.416 0.000 1.212 48 L HN 1.617 nan 8.230 nan 0.000 0.490 49 G N 1.947 110.573 108.800 -0.291 0.000 2.316 49 G HA2 -0.027 3.954 3.960 0.036 0.000 0.203 49 G HA3 -0.027 3.954 3.960 0.036 0.000 0.203 49 G C 0.587 175.458 174.900 -0.049 0.000 0.999 49 G CA -0.315 44.661 45.100 -0.206 0.000 0.649 49 G HN 1.576 nan 8.290 nan 0.000 0.489 50 G N -1.353 107.438 108.800 -0.015 0.000 2.698 50 G HA2 0.126 4.108 3.960 0.036 0.000 0.225 50 G HA3 0.126 4.108 3.960 0.036 0.000 0.225 50 G C 0.757 175.697 174.900 0.067 0.000 1.345 50 G CA 0.671 45.793 45.100 0.036 0.000 0.871 50 G HN 1.206 nan 8.290 nan 0.000 0.540 51 T N -0.488 114.121 114.554 0.092 0.000 2.708 51 T HA -0.224 4.148 4.350 0.036 0.000 0.266 51 T C 2.533 177.263 174.700 0.049 0.000 1.037 51 T CA 2.673 64.832 62.100 0.099 0.000 1.146 51 T CB -0.642 68.303 68.868 0.129 0.000 0.865 51 T HN 1.141 nan 8.240 nan 0.000 0.435 52 c N 1.166 119.796 118.600 0.051 0.000 2.398 52 c HA -0.089 4.502 4.570 0.036 0.000 0.276 52 c C 2.770 176.847 174.090 -0.022 0.000 1.222 52 c CA 0.851 57.196 56.329 0.027 0.000 1.746 52 c CB -1.238 41.295 42.510 0.038 0.000 2.039 52 c HN 0.390 nan 8.230 nan 0.000 0.470 53 V N 1.462 121.373 119.914 -0.004 0.000 2.379 53 V HA -0.113 4.028 4.120 0.036 0.000 0.245 53 V C 2.271 178.313 176.094 -0.086 0.000 1.044 53 V CA 2.254 64.542 62.300 -0.020 0.000 1.036 53 V CB -0.598 31.269 31.823 0.074 0.000 0.664 53 V HN 0.589 nan 8.190 nan 0.000 0.453 54 N N 0.327 118.994 118.700 -0.056 0.000 2.349 54 N HA 0.010 4.772 4.740 0.036 0.000 0.180 54 N C 1.033 176.415 175.510 -0.213 0.000 1.024 54 N CA 1.691 54.703 53.050 -0.062 0.000 0.869 54 N CB 0.708 39.255 38.487 0.100 0.000 1.022 54 N HN 0.507 nan 8.380 nan 0.000 0.433 55 V N -2.492 117.306 119.914 -0.194 0.000 2.872 55 V HA 0.721 4.862 4.120 0.036 0.000 0.367 55 V C 0.331 176.312 176.094 -0.188 0.000 1.343 55 V CA -0.417 61.640 62.300 -0.405 0.000 1.219 55 V CB 0.538 32.378 31.823 0.027 0.000 1.308 55 V HN 0.175 nan 8.190 nan 0.000 0.610 56 G N -0.211 108.483 108.800 -0.177 0.000 3.265 56 G HA2 0.263 4.244 3.960 0.036 0.000 0.171 56 G HA3 0.263 4.244 3.960 0.036 0.000 0.171 56 G C 0.891 175.813 174.900 0.037 0.000 1.110 56 G CA 0.561 45.696 45.100 0.058 0.000 0.855 56 G HN 0.315 nan 8.290 nan 0.000 0.658 57 c N 0.046 118.674 118.600 0.048 0.000 2.376 57 c HA -0.070 4.521 4.570 0.036 0.000 0.275 57 c C 2.822 176.854 174.090 -0.095 0.000 1.200 57 c CA 1.038 57.370 56.329 0.006 0.000 1.756 57 c CB -1.593 40.927 42.510 0.016 0.000 2.050 57 c HN 0.272 nan 8.230 nan 0.000 0.460 58 V N 3.047 122.894 119.914 -0.113 0.000 2.223 58 V HA -0.142 3.999 4.120 0.036 0.000 0.244 58 V C 0.407 176.387 176.094 -0.190 0.000 1.045 58 V CA 2.759 64.966 62.300 -0.154 0.000 1.000 58 V CB -2.013 29.727 31.823 -0.137 0.000 0.635 58 V HN 0.379 nan 8.190 nan 0.000 0.445 59 P HA -0.210 nan 4.420 nan 0.000 0.217 59 P C 1.620 178.884 177.300 -0.061 0.000 1.150 59 P CA 1.598 64.542 63.100 -0.260 0.000 0.832 59 P CB -0.215 31.128 31.700 -0.593 0.000 0.787 60 K N 1.380 121.811 120.400 0.051 0.000 2.103 60 K HA -0.175 4.166 4.320 0.036 0.000 0.207 60 K C 2.019 178.504 176.600 -0.192 0.000 1.048 60 K CA 1.622 57.913 56.287 0.007 0.000 0.930 60 K CB -0.531 31.990 32.500 0.034 0.000 0.716 60 K HN 0.041 nan 8.250 nan 0.000 0.444 61 K N 0.646 120.907 120.400 -0.233 0.000 2.155 61 K HA 0.009 4.351 4.320 0.036 0.000 0.203 61 K C 2.373 178.825 176.600 -0.247 0.000 1.052 61 K CA 0.638 56.719 56.287 -0.343 0.000 0.948 61 K CB -0.011 32.186 32.500 -0.505 0.000 0.728 61 K HN 0.160 nan 8.250 nan 0.000 0.448 62 L N 0.276 121.380 121.223 -0.198 0.000 2.083 62 L HA -0.180 4.181 4.340 0.036 0.000 0.209 62 L C 2.491 179.277 176.870 -0.140 0.000 1.083 62 L CA 1.204 55.951 54.840 -0.154 0.000 0.752 62 L CB -0.261 41.703 42.059 -0.158 0.000 0.899 62 L HN 0.213 nan 8.230 nan 0.000 0.433 63 M N -1.351 118.137 119.600 -0.186 0.000 2.200 63 M HA -0.136 4.365 4.480 0.036 0.000 0.265 63 M C 2.236 178.460 176.300 -0.127 0.000 1.066 63 M CA 1.057 56.222 55.300 -0.225 0.000 1.127 63 M CB -0.129 32.269 32.600 -0.337 0.000 1.379 63 M HN 0.010 nan 8.290 nan 0.000 0.420 64 V N 0.007 119.826 119.914 -0.158 0.000 2.295 64 V HA -0.260 3.882 4.120 0.036 0.000 0.246 64 V C 2.269 178.330 176.094 -0.055 0.000 1.049 64 V CA 2.283 64.522 62.300 -0.103 0.000 1.024 64 V CB -1.031 30.726 31.823 -0.110 0.000 0.648 64 V HN 0.497 nan 8.190 nan 0.000 0.447 65 T N 0.360 114.864 114.554 -0.082 0.000 2.665 65 T HA -0.184 4.188 4.350 0.036 0.000 0.268 65 T C 1.897 176.593 174.700 -0.007 0.000 1.035 65 T CA 1.691 63.734 62.100 -0.094 0.000 1.151 65 T CB -0.769 68.055 68.868 -0.074 0.000 0.862 65 T HN 0.630 nan 8.240 nan 0.000 0.438 66 G N 1.135 110.033 108.800 0.162 0.000 2.446 66 G HA2 -0.067 3.914 3.960 0.036 0.000 0.217 66 G HA3 -0.067 3.914 3.960 0.036 0.000 0.217 66 G C 1.831 176.960 174.900 0.382 0.000 1.168 66 G CA 0.891 46.238 45.100 0.413 0.000 0.771 66 G HN 0.606 nan 8.290 nan 0.000 0.551 67 A N -0.097 122.920 122.820 0.328 0.000 2.015 67 A HA -0.011 4.330 4.320 0.036 0.000 0.219 67 A C 2.234 179.834 177.584 0.028 0.000 1.163 67 A CA 1.889 54.019 52.037 0.155 0.000 0.646 67 A CB -0.365 18.749 19.000 0.191 0.000 0.806 67 A HN 0.456 nan 8.150 nan 0.000 0.448 68 Q N -1.747 118.037 119.800 -0.027 0.000 2.291 68 Q HA -0.180 4.181 4.340 0.036 0.000 0.206 68 Q C 1.354 177.265 176.000 -0.149 0.000 0.976 68 Q CA 1.446 57.178 55.803 -0.119 0.000 0.875 68 Q CB -0.270 28.342 28.738 -0.210 0.000 0.927 68 Q HN 0.803 nan 8.270 nan 0.000 0.450 69 Y N -0.438 119.838 120.300 -0.040 0.000 2.352 69 Y HA -0.217 4.354 4.550 0.034 0.000 0.292 69 Y C 2.113 177.975 175.900 -0.064 0.000 1.136 69 Y CA 1.250 59.315 58.100 -0.059 0.000 1.227 69 Y CB -0.251 38.167 38.460 -0.071 0.000 0.991 69 Y HN 0.237 nan 8.280 nan 0.000 0.545 70 M N 0.076 119.709 119.600 0.054 0.000 2.073 70 M HA -0.288 4.213 4.480 0.036 0.000 0.258 70 M C 1.336 177.657 176.300 0.035 0.000 1.070 70 M CA 2.287 57.596 55.300 0.014 0.000 1.103 70 M CB -0.138 32.451 32.600 -0.019 0.000 1.321 70 M HN 0.115 nan 8.290 nan 0.000 0.405 71 D N 0.481 120.900 120.400 0.031 0.000 2.097 71 D HA -0.118 4.543 4.640 0.036 0.000 0.195 71 D C 2.013 178.347 176.300 0.057 0.000 0.989 71 D CA 1.355 55.384 54.000 0.049 0.000 0.827 71 D CB -0.486 40.339 40.800 0.041 0.000 0.966 71 D HN 0.396 nan 8.370 nan 0.000 0.456 72 L N 0.218 121.460 121.223 0.031 0.000 2.083 72 L HA -0.126 4.235 4.340 0.036 0.000 0.209 72 L C 2.362 179.259 176.870 0.045 0.000 1.083 72 L CA 0.697 55.553 54.840 0.026 0.000 0.752 72 L CB -0.248 41.801 42.059 -0.017 0.000 0.899 72 L HN 0.043 nan 8.230 nan 0.000 0.433 73 I N -0.707 119.900 120.570 0.062 0.000 2.286 73 I HA -0.250 3.941 4.170 0.036 0.000 0.245 73 I C 2.823 178.982 176.117 0.071 0.000 1.104 73 I CA 0.943 62.272 61.300 0.048 0.000 1.397 73 I CB -0.270 37.753 38.000 0.038 0.000 1.072 73 I HN 0.204 nan 8.210 nan 0.000 0.417 74 R N 1.356 121.902 120.500 0.076 0.000 2.091 74 R HA -0.212 4.150 4.340 0.036 0.000 0.238 74 R C 1.964 178.341 176.300 0.128 0.000 1.136 74 R CA 1.809 57.964 56.100 0.091 0.000 0.959 74 R CB -0.152 30.195 30.300 0.078 0.000 0.856 74 R HN 0.374 nan 8.270 nan 0.000 0.437 75 E N 0.007 120.294 120.200 0.146 0.000 2.274 75 E HA -0.106 4.265 4.350 0.036 0.000 0.194 75 E C 1.876 178.664 176.600 0.315 0.000 0.996 75 E CA 1.204 57.734 56.400 0.217 0.000 0.840 75 E CB 0.172 30.002 29.700 0.217 0.000 0.772 75 E HN 0.505 nan 8.360 nan 0.000 0.491 76 S N -0.117 115.729 115.700 0.242 0.000 2.428 76 S HA -0.060 4.432 4.470 0.036 0.000 0.230 76 S C 2.134 177.022 174.600 0.480 0.000 1.014 76 S CA 0.724 59.124 58.200 0.333 0.000 0.957 76 S CB -0.404 62.832 63.200 0.059 0.000 0.784 76 S HN 0.299 nan 8.310 nan 0.000 0.499 77 G N 2.000 110.985 108.800 0.308 0.000 2.476 77 G HA2 -0.067 3.915 3.960 0.036 0.000 0.218 77 G HA3 -0.067 3.915 3.960 0.036 0.000 0.218 77 G C 1.474 176.482 174.900 0.180 0.000 1.164 77 G CA 0.723 45.961 45.100 0.230 0.000 0.768 77 G HN 0.674 nan 8.290 nan 0.000 0.560 78 G N -0.090 108.788 108.800 0.131 0.000 2.479 78 G HA2 -0.093 3.888 3.960 0.036 0.000 0.220 78 G HA3 -0.093 3.888 3.960 0.036 0.000 0.220 78 G C 1.363 176.168 174.900 -0.160 0.000 1.115 78 G CA 0.483 45.551 45.100 -0.055 0.000 0.757 78 G HN 0.413 nan 8.290 nan 0.000 0.560 79 F N 0.020 120.054 119.950 0.140 0.000 2.765 79 F HA 0.355 4.904 4.527 0.035 0.000 0.302 79 F C 1.970 177.783 175.800 0.023 0.000 1.111 79 F CA 0.568 58.648 58.000 0.134 0.000 1.359 79 F CB 0.780 39.933 39.000 0.255 0.000 1.097 79 F HN 0.248 nan 8.300 nan 0.000 0.577 80 G N -1.277 107.599 108.800 0.127 0.000 2.192 80 G HA2 -0.249 3.733 3.960 0.036 0.000 0.193 80 G HA3 -0.249 3.733 3.960 0.036 0.000 0.193 80 G C -0.380 174.426 174.900 -0.157 0.000 0.999 80 G CA -0.836 44.218 45.100 -0.077 0.000 0.659 80 G HN 0.216 nan 8.290 nan 0.000 0.503 81 W N 2.412 123.770 121.300 0.096 0.000 2.422 81 W HA 0.622 5.304 4.660 0.036 0.000 0.349 81 W C 0.432 176.984 176.519 0.055 0.000 1.062 81 W CA -0.532 56.855 57.345 0.070 0.000 1.497 81 W CB 0.407 29.913 29.460 0.076 0.000 1.407 81 W HN 0.157 nan 8.180 nan 0.000 0.393 82 E N 4.948 125.254 120.200 0.176 0.000 2.227 82 E HA 0.562 4.934 4.350 0.036 0.000 0.282 82 E C 0.303 176.981 176.600 0.129 0.000 1.015 82 E CA -0.467 56.005 56.400 0.120 0.000 0.823 82 E CB 0.871 30.603 29.700 0.053 0.000 1.081 82 E HN 0.416 nan 8.360 nan 0.000 0.396 83 M N 0.220 119.885 119.600 0.108 0.000 2.694 83 M HA 0.356 4.857 4.480 0.036 0.000 0.276 83 M C -1.531 174.807 176.300 0.063 0.000 1.167 83 M CA -1.042 54.310 55.300 0.086 0.000 0.849 83 M CB 1.664 34.323 32.600 0.098 0.000 1.705 83 M HN 0.151 nan 8.290 nan 0.000 0.504 84 D N 1.820 122.249 120.400 0.048 0.000 2.346 84 D HA 0.176 4.838 4.640 0.036 0.000 0.267 84 D C 0.467 176.789 176.300 0.036 0.000 1.320 84 D CA 0.528 54.550 54.000 0.038 0.000 0.951 84 D CB 0.710 41.529 40.800 0.030 0.000 1.079 84 D HN 0.611 nan 8.370 nan 0.000 0.509 85 R N 2.202 122.725 120.500 0.038 0.000 2.128 85 R HA 0.027 4.388 4.340 0.036 0.000 0.211 85 R C 0.533 176.850 176.300 0.028 0.000 1.067 85 R CA -0.043 56.078 56.100 0.036 0.000 1.010 85 R CB 0.272 30.598 30.300 0.044 0.000 0.922 85 R HN 0.396 nan 8.270 nan 0.000 0.457 86 E N 1.178 121.394 120.200 0.027 0.000 2.417 86 E HA -0.060 4.311 4.350 0.036 0.000 0.261 86 E C -0.421 176.192 176.600 0.022 0.000 1.000 86 E CA 0.364 56.778 56.400 0.023 0.000 0.919 86 E CB 0.504 30.216 29.700 0.021 0.000 0.955 86 E HN 0.114 nan 8.360 nan 0.000 0.455 87 S N 2.712 118.425 115.700 0.021 0.000 3.783 87 S HA -0.204 4.287 4.470 0.036 0.000 0.360 87 S C -0.716 173.897 174.600 0.021 0.000 1.006 87 S CA 0.291 58.504 58.200 0.022 0.000 1.115 87 S CB -1.005 62.208 63.200 0.021 0.000 0.893 87 S HN 0.503 nan 8.310 nan 0.000 0.475 88 L N 2.436 123.670 121.223 0.019 0.000 2.280 88 L HA 0.719 5.080 4.340 0.036 0.000 0.287 88 L C -0.246 176.629 176.870 0.008 0.000 1.023 88 L CA -0.075 54.773 54.840 0.014 0.000 0.819 88 L CB 1.191 43.257 42.059 0.012 0.000 1.212 88 L HN 0.486 nan 8.230 nan 0.000 0.420 89 C N 4.840 124.147 119.300 0.011 0.000 2.712 89 C HA 0.717 5.198 4.460 0.036 0.000 0.308 89 C C -2.029 172.968 174.990 0.012 0.000 1.201 89 C CA -0.923 58.101 59.018 0.011 0.000 1.554 89 C CB 1.722 29.485 27.740 0.039 0.000 2.117 89 C HN 0.745 nan 8.230 nan 0.000 0.480 90 P HA 0.230 nan 4.420 nan 0.000 0.279 90 P C -1.052 176.362 177.300 0.190 0.000 1.252 90 P CA -0.295 62.811 63.100 0.010 0.000 0.811 90 P CB 0.578 32.121 31.700 -0.261 0.000 1.035 91 N N 1.527 120.354 118.700 0.213 0.000 2.415 91 N HA -0.016 4.745 4.740 0.036 0.000 0.246 91 N C 0.999 176.714 175.510 0.342 0.000 1.078 91 N CA -0.373 52.821 53.050 0.240 0.000 0.942 91 N CB -0.067 38.502 38.487 0.137 0.000 1.140 91 N HN 0.579 nan 8.380 nan 0.000 0.501 92 W N 5.046 126.472 121.300 0.209 0.000 2.363 92 W HA -0.142 4.536 4.660 0.031 0.000 0.296 92 W C 0.738 177.268 176.519 0.018 0.000 1.212 92 W CA 1.062 58.467 57.345 0.100 0.000 1.260 92 W CB 0.280 29.803 29.460 0.106 0.000 1.131 92 W HN 0.533 nan 8.180 nan 0.000 0.530 93 K N -0.335 120.183 120.400 0.197 0.000 2.097 93 K HA -0.161 4.180 4.320 0.036 0.000 0.205 93 K C 2.164 178.744 176.600 -0.033 0.000 1.050 93 K CA 2.353 58.690 56.287 0.082 0.000 0.938 93 K CB -0.529 32.060 32.500 0.148 0.000 0.718 93 K HN 0.172 nan 8.250 nan 0.000 0.442 94 T N -0.150 114.399 114.554 -0.009 0.000 2.951 94 T HA -0.081 4.290 4.350 0.036 0.000 0.268 94 T C 1.847 176.483 174.700 -0.106 0.000 1.073 94 T CA 0.608 62.687 62.100 -0.035 0.000 1.134 94 T CB -0.131 68.738 68.868 0.001 0.000 0.884 94 T HN 0.077 nan 8.240 nan 0.000 0.479 95 L N 0.815 121.924 121.223 -0.191 0.000 2.005 95 L HA 0.121 4.482 4.340 0.036 0.000 0.207 95 L C 2.309 178.937 176.870 -0.404 0.000 1.072 95 L CA 1.525 56.169 54.840 -0.328 0.000 0.744 95 L CB -0.643 41.062 42.059 -0.591 0.000 0.895 95 L HN 0.141 nan 8.230 nan 0.000 0.433 96 I N 0.386 120.641 120.570 -0.526 0.000 2.286 96 I HA -0.249 3.942 4.170 0.036 0.000 0.248 96 I C 2.698 178.700 176.117 -0.192 0.000 1.115 96 I CA 1.426 62.479 61.300 -0.411 0.000 1.392 96 I CB -1.967 35.797 38.000 -0.394 0.000 1.065 96 I HN 0.413 nan 8.210 nan 0.000 0.418 97 A N 1.029 123.769 122.820 -0.133 0.000 1.877 97 A HA -0.117 4.224 4.320 0.036 0.000 0.216 97 A C 2.619 180.161 177.584 -0.071 0.000 1.186 97 A CA 2.062 54.064 52.037 -0.058 0.000 0.620 97 A CB -0.860 18.120 19.000 -0.033 0.000 0.822 97 A HN 0.400 nan 8.150 nan 0.000 0.443 98 A N -0.170 122.589 122.820 -0.102 0.000 1.883 98 A HA -0.216 4.125 4.320 0.036 0.000 0.217 98 A C 2.186 179.697 177.584 -0.120 0.000 1.186 98 A CA 2.136 54.113 52.037 -0.099 0.000 0.624 98 A CB -0.519 18.419 19.000 -0.103 0.000 0.822 98 A HN 0.545 nan 8.150 nan 0.000 0.444 99 K N -0.434 119.865 120.400 -0.168 0.000 2.002 99 K HA -0.214 4.127 4.320 0.036 0.000 0.209 99 K C 1.718 178.200 176.600 -0.195 0.000 1.048 99 K CA 1.698 57.865 56.287 -0.201 0.000 0.930 99 K CB -0.347 31.999 32.500 -0.257 0.000 0.714 99 K HN 0.445 nan 8.250 nan 0.000 0.438 100 N N 1.487 120.108 118.700 -0.131 0.000 2.104 100 N HA -0.186 4.575 4.740 0.036 0.000 0.190 100 N C 1.722 177.239 175.510 0.012 0.000 1.024 100 N CA 1.053 54.089 53.050 -0.023 0.000 0.853 100 N CB -0.238 38.344 38.487 0.159 0.000 1.008 100 N HN 0.278 nan 8.380 nan 0.000 0.424 101 K N 0.908 121.300 120.400 -0.013 0.000 2.044 101 K HA -0.104 4.237 4.320 0.036 0.000 0.210 101 K C 1.915 178.490 176.600 -0.041 0.000 1.049 101 K CA 1.099 57.380 56.287 -0.011 0.000 0.927 101 K CB -0.066 32.418 32.500 -0.027 0.000 0.713 101 K HN -0.046 nan 8.250 nan 0.000 0.443 102 V N 0.624 120.487 119.914 -0.085 0.000 2.270 102 V HA -0.229 3.912 4.120 0.036 0.000 0.245 102 V C 2.379 178.399 176.094 -0.123 0.000 1.043 102 V CA 1.566 63.802 62.300 -0.106 0.000 1.014 102 V CB -0.291 31.456 31.823 -0.126 0.000 0.645 102 V HN 0.118 nan 8.190 nan 0.000 0.447 103 V N 0.952 120.749 119.914 -0.194 0.000 2.287 103 V HA -0.315 3.826 4.120 0.036 0.000 0.248 103 V C 2.321 178.365 176.094 -0.084 0.000 1.053 103 V CA 2.608 64.764 62.300 -0.240 0.000 1.027 103 V CB -1.135 30.354 31.823 -0.556 0.000 0.646 103 V HN 0.743 nan 8.190 nan 0.000 0.447 104 N N 0.287 119.000 118.700 0.021 0.000 2.166 104 N HA -0.201 4.561 4.740 0.036 0.000 0.186 104 N C 1.977 177.518 175.510 0.051 0.000 1.019 104 N CA 1.617 54.764 53.050 0.161 0.000 0.856 104 N CB -0.282 38.332 38.487 0.211 0.000 0.993 104 N HN 0.426 nan 8.380 nan 0.000 0.426 105 S N -0.266 115.432 115.700 -0.004 0.000 2.382 105 S HA -0.072 4.419 4.470 0.036 0.000 0.228 105 S C 1.878 176.433 174.600 -0.074 0.000 1.027 105 S CA 1.064 59.241 58.200 -0.038 0.000 0.991 105 S CB -0.504 62.663 63.200 -0.056 0.000 0.823 105 S HN 0.446 nan 8.310 nan 0.000 0.469 106 I N 1.752 122.269 120.570 -0.089 0.000 2.286 106 I HA -0.144 4.048 4.170 0.036 0.000 0.245 106 I C 2.335 178.388 176.117 -0.106 0.000 1.104 106 I CA 1.378 62.582 61.300 -0.159 0.000 1.397 106 I CB -0.722 37.199 38.000 -0.131 0.000 1.072 106 I HN 0.394 nan 8.210 nan 0.000 0.417 107 N N 0.708 119.437 118.700 0.048 0.000 2.094 107 N HA -0.224 4.537 4.740 0.036 0.000 0.191 107 N C 1.719 177.280 175.510 0.086 0.000 1.023 107 N CA 1.313 54.446 53.050 0.138 0.000 0.857 107 N CB -0.083 38.480 38.487 0.127 0.000 1.013 107 N HN 0.405 nan 8.380 nan 0.000 0.426 108 E N 0.115 120.329 120.200 0.022 0.000 2.152 108 E HA -0.097 4.274 4.350 0.036 0.000 0.192 108 E C 2.020 178.612 176.600 -0.014 0.000 0.983 108 E CA 1.014 57.420 56.400 0.010 0.000 0.818 108 E CB 0.068 29.768 29.700 0.000 0.000 0.758 108 E HN 0.433 nan 8.360 nan 0.000 0.467 109 S N -0.073 115.570 115.700 -0.094 0.000 2.447 109 S HA -0.148 4.343 4.470 0.036 0.000 0.233 109 S C 1.709 176.226 174.600 -0.137 0.000 1.006 109 S CA 0.581 58.687 58.200 -0.157 0.000 0.957 109 S CB -0.329 62.710 63.200 -0.269 0.000 0.773 109 S HN 0.223 nan 8.310 nan 0.000 0.507 110 Y N 2.194 122.487 120.300 -0.013 0.000 2.263 110 Y HA 0.198 4.769 4.550 0.035 0.000 0.292 110 Y C 2.462 178.451 175.900 0.148 0.000 1.130 110 Y CA 0.409 58.529 58.100 0.035 0.000 1.179 110 Y CB -0.411 38.063 38.460 0.024 0.000 0.998 110 Y HN 0.231 nan 8.280 nan 0.000 0.532 111 K N -0.052 120.483 120.400 0.224 0.000 2.009 111 K HA -0.165 4.176 4.320 0.036 0.000 0.210 111 K C 2.095 178.812 176.600 0.195 0.000 1.049 111 K CA 1.990 58.379 56.287 0.170 0.000 0.929 111 K CB -0.384 32.159 32.500 0.071 0.000 0.714 111 K HN 0.328 nan 8.250 nan 0.000 0.440 112 S N 0.822 116.597 115.700 0.125 0.000 2.515 112 S HA -0.075 4.416 4.470 0.036 0.000 0.231 112 S C 1.844 176.512 174.600 0.113 0.000 0.987 112 S CA 0.589 58.849 58.200 0.100 0.000 0.936 112 S CB -0.110 63.120 63.200 0.048 0.000 0.766 112 S HN 0.249 nan 8.310 nan 0.000 0.528 113 M N 0.484 120.162 119.600 0.129 0.000 2.123 113 M HA 0.028 4.529 4.480 0.036 0.000 0.263 113 M C 1.518 177.889 176.300 0.117 0.000 1.069 113 M CA 1.562 56.925 55.300 0.105 0.000 1.133 113 M CB -0.284 32.349 32.600 0.056 0.000 1.356 113 M HN 0.329 nan 8.290 nan 0.000 0.415 114 F N 0.617 120.655 119.950 0.145 0.000 2.134 114 F HA -0.126 4.422 4.527 0.036 0.000 0.299 114 F C 2.642 178.504 175.800 0.103 0.000 1.097 114 F CA 1.527 59.606 58.000 0.131 0.000 1.264 114 F CB -0.688 38.376 39.000 0.107 0.000 1.001 114 F HN 0.268 nan 8.300 nan 0.000 0.479 115 A N -0.301 122.678 122.820 0.266 0.000 1.972 115 A HA -0.185 4.156 4.320 0.036 0.000 0.219 115 A C 1.689 179.346 177.584 0.122 0.000 1.169 115 A CA 2.168 54.304 52.037 0.164 0.000 0.635 115 A CB -0.605 18.468 19.000 0.123 0.000 0.810 115 A HN 0.292 nan 8.150 nan 0.000 0.446 116 D N -0.967 119.503 120.400 0.117 0.000 2.301 116 D HA 0.065 4.726 4.640 0.036 0.000 0.206 116 D C 0.199 176.542 176.300 0.073 0.000 0.979 116 D CA 0.743 54.796 54.000 0.087 0.000 0.874 116 D CB -0.238 40.614 40.800 0.087 0.000 0.968 116 D HN 0.246 nan 8.370 nan 0.000 0.510 117 T N 1.870 116.474 114.554 0.083 0.000 2.761 117 T HA 0.208 4.580 4.350 0.036 0.000 0.296 117 T C 0.251 174.961 174.700 0.017 0.000 0.934 117 T CA -0.276 61.831 62.100 0.013 0.000 1.091 117 T CB 1.206 70.065 68.868 -0.016 0.000 0.896 117 T HN -0.043 nan 8.240 nan 0.000 0.515 118 E N 1.363 121.551 120.200 -0.020 0.000 2.313 118 E HA 0.443 4.814 4.350 0.036 0.000 0.276 118 E C 1.185 177.779 176.600 -0.008 0.000 1.031 118 E CA -0.044 56.357 56.400 0.002 0.000 0.857 118 E CB 0.932 30.626 29.700 -0.010 0.000 1.040 118 E HN 0.922 nan 8.360 nan 0.000 0.408 119 G N 2.496 111.322 108.800 0.044 0.000 2.195 119 G HA2 -0.264 3.718 3.960 0.036 0.000 0.246 119 G HA3 -0.264 3.718 3.960 0.036 0.000 0.246 119 G C -0.270 174.696 174.900 0.110 0.000 0.984 119 G CA -0.029 45.108 45.100 0.061 0.000 0.633 119 G HN 0.385 nan 8.290 nan 0.000 0.525 120 L N 2.449 123.743 121.223 0.119 0.000 2.305 120 L HA 0.803 5.164 4.340 0.036 0.000 0.284 120 L C 0.223 177.324 176.870 0.385 0.000 1.013 120 L CA -0.270 54.689 54.840 0.198 0.000 0.819 120 L CB 1.856 43.945 42.059 0.051 0.000 1.227 120 L HN 0.674 nan 8.230 nan 0.000 0.417 121 S N 3.688 119.659 115.700 0.451 0.000 2.548 121 S HA 0.658 5.149 4.470 0.036 0.000 0.286 121 S C -0.847 173.857 174.600 0.173 0.000 1.098 121 S CA -0.688 57.707 58.200 0.326 0.000 0.930 121 S CB 1.478 64.786 63.200 0.180 0.000 1.070 121 S HN 0.433 nan 8.310 nan 0.000 0.480 122 F N 2.869 122.517 119.950 -0.502 0.000 2.420 122 F HA 0.527 5.074 4.527 0.033 0.000 0.342 122 F C -0.317 175.113 175.800 -0.616 0.000 1.113 122 F CA -0.600 56.971 58.000 -0.714 0.000 1.059 122 F CB 1.018 39.234 39.000 -1.306 0.000 1.128 122 F HN 0.731 nan 8.300 nan 0.000 0.475 123 H N 7.775 126.231 119.070 -1.023 0.000 2.887 123 H HA 0.229 4.806 4.556 0.035 0.000 0.300 123 H C -0.508 174.215 175.328 -1.010 0.000 1.038 123 H CA -0.641 54.931 56.048 -0.794 0.000 1.352 123 H CB 1.634 31.154 29.762 -0.403 0.000 1.473 123 H HN 0.643 nan 8.280 nan 0.000 0.503 124 M N 3.219 122.266 119.600 -0.922 0.000 2.188 124 M HA 0.383 4.885 4.480 0.036 0.000 0.354 124 M C 0.074 176.206 176.300 -0.281 0.000 1.342 124 M CA 0.637 55.564 55.300 -0.621 0.000 1.117 124 M CB 0.261 32.661 32.600 -0.333 0.000 1.670 124 M HN 0.929 nan 8.290 nan 0.000 0.466 125 G N 3.649 112.305 108.800 -0.240 0.000 2.362 125 G HA2 0.145 4.126 3.960 0.036 0.000 0.288 125 G HA3 0.145 4.126 3.960 0.036 0.000 0.288 125 G C -1.955 172.814 174.900 -0.218 0.000 1.305 125 G CA -1.052 43.968 45.100 -0.134 0.000 0.910 125 G HN 0.551 nan 8.290 nan 0.000 0.518 126 F N 1.599 121.512 119.950 -0.062 0.000 2.411 126 F HA 0.577 5.122 4.527 0.031 0.000 0.355 126 F C 1.223 176.986 175.800 -0.061 0.000 1.117 126 F CA 0.544 58.508 58.000 -0.060 0.000 1.139 126 F CB 1.781 40.742 39.000 -0.065 0.000 1.120 126 F HN 0.659 nan 8.300 nan 0.000 0.493 127 G N 1.535 110.373 108.800 0.064 0.000 2.425 127 G HA2 0.703 4.685 3.960 0.036 0.000 0.302 127 G HA3 0.703 4.685 3.960 0.036 0.000 0.302 127 G C -1.289 173.634 174.900 0.038 0.000 1.159 127 G CA -0.390 44.724 45.100 0.022 0.000 0.865 127 G HN 0.924 nan 8.290 nan 0.000 0.515 128 A N 0.736 123.565 122.820 0.014 0.000 2.612 128 A HA 0.679 5.020 4.320 0.036 0.000 0.293 128 A C -0.808 176.776 177.584 -0.000 0.000 1.075 128 A CA -0.679 51.361 52.037 0.006 0.000 0.680 128 A CB 0.904 19.903 19.000 -0.003 0.000 1.279 128 A HN 0.707 nan 8.150 nan 0.000 0.411 129 L N 1.158 122.381 121.223 -0.001 0.000 2.379 129 L HA 0.422 4.783 4.340 0.036 0.000 0.269 129 L C 0.904 177.776 176.870 0.004 0.000 1.084 129 L CA -0.646 54.196 54.840 0.003 0.000 0.802 129 L CB 1.184 43.245 42.059 0.003 0.000 1.175 129 L HN 0.844 nan 8.230 nan 0.000 0.448 130 Q N 0.844 120.652 119.800 0.012 0.000 2.619 130 Q HA 0.167 4.529 4.340 0.036 0.000 0.230 130 Q C -0.590 175.423 176.000 0.023 0.000 0.871 130 Q CA 0.545 56.357 55.803 0.016 0.000 0.934 130 Q CB 0.990 29.741 28.738 0.021 0.000 1.183 130 Q HN 0.914 nan 8.270 nan 0.000 0.631 131 D N -2.224 118.196 120.400 0.034 0.000 2.759 131 D HA 0.456 5.117 4.640 0.036 0.000 0.321 131 D C 0.036 176.360 176.300 0.040 0.000 1.267 131 D CA -0.133 53.894 54.000 0.045 0.000 0.933 131 D CB 0.136 40.976 40.800 0.067 0.000 1.431 131 D HN -0.046 nan 8.370 nan 0.000 0.504 132 A N -1.017 121.827 122.820 0.040 0.000 2.194 132 A HA -0.163 4.179 4.320 0.036 0.000 0.220 132 A C 0.901 178.321 177.584 -0.274 0.000 1.162 132 A CA 1.234 53.222 52.037 -0.082 0.000 0.674 132 A CB -0.831 18.121 19.000 -0.080 0.000 0.789 132 A HN 0.612 nan 8.150 nan 0.000 0.470 133 H N -2.095 116.983 119.070 0.014 0.000 3.398 133 H HA 0.146 4.724 4.556 0.036 0.000 0.260 133 H C -0.686 174.660 175.328 0.030 0.000 1.189 133 H CA 0.365 56.423 56.048 0.017 0.000 1.145 133 H CB 0.809 30.571 29.762 -0.000 0.000 1.599 133 H HN 0.305 nan 8.280 nan 0.000 0.615 134 T N 2.111 116.729 114.554 0.107 0.000 2.890 134 T HA 0.342 4.713 4.350 0.036 0.000 0.295 134 T C -0.187 174.536 174.700 0.039 0.000 0.993 134 T CA -0.411 61.733 62.100 0.075 0.000 0.979 134 T CB 2.482 71.389 68.868 0.065 0.000 0.967 134 T HN -0.144 nan 8.240 nan 0.000 0.441 135 V N 4.051 123.980 119.914 0.025 0.000 2.384 135 V HA 0.440 4.582 4.120 0.036 0.000 0.287 135 V C 0.003 176.089 176.094 -0.014 0.000 1.020 135 V CA -0.764 61.534 62.300 -0.003 0.000 0.850 135 V CB 1.735 33.542 31.823 -0.027 0.000 0.987 135 V HN 0.675 nan 8.190 nan 0.000 0.436 136 V N 6.055 125.965 119.914 -0.008 0.000 2.407 136 V HA 0.338 4.480 4.120 0.036 0.000 0.278 136 V C 0.004 176.092 176.094 -0.010 0.000 1.037 136 V CA -0.414 61.882 62.300 -0.006 0.000 0.900 136 V CB 1.971 33.795 31.823 0.003 0.000 0.983 136 V HN 0.634 nan 8.190 nan 0.000 0.459 137 V N 7.179 127.082 119.914 -0.018 0.000 2.348 137 V HA 0.426 4.567 4.120 0.036 0.000 0.270 137 V C 0.457 176.560 176.094 0.015 0.000 1.037 137 V CA -0.523 61.769 62.300 -0.014 0.000 0.872 137 V CB 0.774 32.568 31.823 -0.049 0.000 1.002 137 V HN 0.778 nan 8.190 nan 0.000 0.464 138 R N 2.649 123.179 120.500 0.050 0.000 2.596 138 R HA 0.387 4.748 4.340 0.036 0.000 0.267 138 R C 1.248 177.605 176.300 0.094 0.000 1.026 138 R CA -0.703 55.430 56.100 0.054 0.000 1.087 138 R CB 1.311 31.629 30.300 0.030 0.000 1.132 138 R HN 0.555 nan 8.270 nan 0.000 0.531 139 K N 0.280 120.717 120.400 0.061 0.000 2.057 139 K HA -0.079 4.262 4.320 0.036 0.000 0.206 139 K C 0.562 177.235 176.600 0.123 0.000 1.050 139 K CA 1.429 57.759 56.287 0.073 0.000 0.935 139 K CB 0.180 32.699 32.500 0.032 0.000 0.715 139 K HN 0.575 nan 8.250 nan 0.000 0.439 140 S N -1.825 113.882 115.700 0.011 0.000 2.811 140 S HA 0.174 4.665 4.470 0.036 0.000 0.311 140 S C 0.662 174.908 174.600 -0.590 0.000 1.152 140 S CA -0.867 57.198 58.200 -0.225 0.000 0.864 140 S CB 1.457 64.531 63.200 -0.211 0.000 1.226 140 S HN 0.205 nan 8.310 nan 0.000 0.541 141 E N 0.304 119.791 120.200 -1.187 0.000 2.204 141 E HA -0.098 4.274 4.350 0.036 0.000 0.194 141 E C -0.101 176.244 176.600 -0.425 0.000 0.989 141 E CA 0.562 56.381 56.400 -0.969 0.000 0.824 141 E CB -0.071 29.046 29.700 -0.972 0.000 0.756 141 E HN 0.651 nan 8.360 nan 0.000 0.477 142 D N 0.563 120.764 120.400 -0.332 0.000 2.451 142 D HA -0.050 4.612 4.640 0.036 0.000 0.254 142 D C -1.843 174.341 176.300 -0.193 0.000 1.204 142 D CA -1.402 52.475 54.000 -0.206 0.000 0.896 142 D CB 1.199 41.920 40.800 -0.132 0.000 1.136 142 D HN 0.017 nan 8.370 nan 0.000 0.499 143 P HA -0.085 nan 4.420 nan 0.000 0.231 143 P C 0.264 177.353 177.300 -0.351 0.000 1.158 143 P CA 0.878 63.793 63.100 -0.309 0.000 0.763 143 P CB 0.129 31.592 31.700 -0.394 0.000 0.805 144 H N -2.223 116.817 119.070 -0.050 0.000 2.505 144 H HA 0.316 4.893 4.556 0.035 0.000 0.286 144 H C 0.512 175.818 175.328 -0.037 0.000 1.072 144 H CA -0.127 55.898 56.048 -0.037 0.000 1.141 144 H CB 0.105 29.847 29.762 -0.034 0.000 1.550 144 H HN 0.051 nan 8.280 nan 0.000 0.547 145 S N 0.997 116.712 115.700 0.024 0.000 2.600 145 S HA 0.016 4.507 4.470 0.036 0.000 0.265 145 S C 0.268 174.879 174.600 0.018 0.000 1.325 145 S CA -0.551 57.653 58.200 0.007 0.000 1.002 145 S CB 0.846 64.028 63.200 -0.030 0.000 0.921 145 S HN 0.235 nan 8.310 nan 0.000 0.554 146 D N 1.547 121.957 120.400 0.015 0.000 2.458 146 D HA 0.107 4.769 4.640 0.036 0.000 0.243 146 D C -0.351 175.959 176.300 0.017 0.000 1.146 146 D CA 0.106 54.116 54.000 0.016 0.000 0.877 146 D CB 0.352 41.159 40.800 0.013 0.000 1.176 146 D HN 0.096 nan 8.370 nan 0.000 0.461 147 V N 4.744 124.668 119.914 0.017 0.000 2.439 147 V HA -0.007 4.134 4.120 0.036 0.000 0.271 147 V C 1.668 177.770 176.094 0.014 0.000 1.040 147 V CA -0.006 62.303 62.300 0.015 0.000 1.002 147 V CB 0.652 32.484 31.823 0.015 0.000 1.000 147 V HN 0.490 nan 8.190 nan 0.000 0.477 148 L N 4.032 125.263 121.223 0.013 0.000 2.127 148 L HA 0.154 4.515 4.340 0.036 0.000 0.203 148 L C 0.967 177.847 176.870 0.016 0.000 1.080 148 L CA 1.014 55.860 54.840 0.011 0.000 0.768 148 L CB 0.108 42.168 42.059 0.002 0.000 0.924 148 L HN 0.844 nan 8.230 nan 0.000 0.444 149 E N -1.971 118.238 120.200 0.014 0.000 2.407 149 E HA 0.335 4.706 4.350 0.036 0.000 0.279 149 E C -1.327 175.280 176.600 0.012 0.000 1.012 149 E CA -0.777 55.638 56.400 0.024 0.000 0.800 149 E CB 1.461 31.192 29.700 0.052 0.000 1.276 149 E HN -0.288 nan 8.360 nan 0.000 0.452 150 T N 1.986 116.555 114.554 0.025 0.000 2.791 150 T HA 0.390 4.761 4.350 0.036 0.000 0.288 150 T C -0.297 174.433 174.700 0.050 0.000 0.999 150 T CA -0.628 61.487 62.100 0.025 0.000 0.952 150 T CB 0.244 69.129 68.868 0.028 0.000 0.938 150 T HN 0.273 nan 8.240 nan 0.000 0.444 151 L N 3.408 124.654 121.223 0.038 0.000 2.255 151 L HA 0.423 4.784 4.340 0.036 0.000 0.289 151 L C 0.179 177.137 176.870 0.146 0.000 1.046 151 L CA -0.894 54.013 54.840 0.111 0.000 0.816 151 L CB 0.659 42.679 42.059 -0.066 0.000 1.197 151 L HN 0.571 nan 8.230 nan 0.000 0.427 152 D N 2.373 122.879 120.400 0.177 0.000 2.365 152 D HA 0.236 4.897 4.640 0.036 0.000 0.237 152 D C -0.244 176.175 176.300 0.198 0.000 1.190 152 D CA 0.157 54.239 54.000 0.137 0.000 0.867 152 D CB 1.042 41.881 40.800 0.065 0.000 1.050 152 D HN 0.432 nan 8.370 nan 0.000 0.491 153 T N 2.315 116.992 114.554 0.204 0.000 2.916 153 T HA 0.275 4.646 4.350 0.036 0.000 0.292 153 T C 0.692 175.521 174.700 0.216 0.000 1.055 153 T CA -0.573 61.666 62.100 0.231 0.000 1.009 153 T CB 1.764 70.760 68.868 0.214 0.000 1.118 153 T HN 0.291 nan 8.240 nan 0.000 0.497 154 E N 1.303 121.616 120.200 0.188 0.000 2.042 154 E HA 0.184 4.555 4.350 0.036 0.000 0.189 154 E C -0.699 175.762 176.600 -0.232 0.000 0.974 154 E CA 1.326 57.749 56.400 0.037 0.000 0.806 154 E CB 0.117 29.839 29.700 0.037 0.000 0.769 154 E HN 0.638 nan 8.360 nan 0.000 0.451 155 Y N -0.818 119.601 120.300 0.197 0.000 2.485 155 Y HA 0.510 5.081 4.550 0.035 0.000 0.345 155 Y C -0.382 175.625 175.900 0.178 0.000 0.998 155 Y CA -0.917 57.302 58.100 0.199 0.000 1.059 155 Y CB 1.585 40.237 38.460 0.320 0.000 1.234 155 Y HN -0.174 nan 8.280 nan 0.000 0.461 156 I N 4.068 124.823 120.570 0.308 0.000 2.406 156 I HA 0.311 4.503 4.170 0.036 0.000 0.290 156 I C -1.340 174.885 176.117 0.179 0.000 0.999 156 I CA -0.835 60.576 61.300 0.186 0.000 1.124 156 I CB 1.730 39.781 38.000 0.085 0.000 1.289 156 I HN 0.316 nan 8.210 nan 0.000 0.441 157 L N 8.316 129.587 121.223 0.081 0.000 2.298 157 L HA 0.575 4.937 4.340 0.036 0.000 0.284 157 L C -0.708 176.137 176.870 -0.042 0.000 1.013 157 L CA -0.093 54.705 54.840 -0.070 0.000 0.824 157 L CB 1.080 42.963 42.059 -0.294 0.000 1.221 157 L HN 0.408 nan 8.230 nan 0.000 0.418 158 I N 5.801 126.354 120.570 -0.029 0.000 2.312 158 I HA 0.488 4.679 4.170 0.036 0.000 0.291 158 I C 0.509 176.616 176.117 -0.017 0.000 1.031 158 I CA 0.067 61.361 61.300 -0.010 0.000 1.293 158 I CB 1.325 39.329 38.000 0.006 0.000 1.403 158 I HN 0.828 nan 8.210 nan 0.000 0.484 159 A N 3.551 126.368 122.820 -0.004 0.000 3.045 159 A HA 0.220 4.561 4.320 0.036 0.000 0.244 159 A C 0.921 178.523 177.584 0.031 0.000 0.917 159 A CA -0.304 51.738 52.037 0.009 0.000 1.075 159 A CB -0.363 18.635 19.000 -0.004 0.000 1.202 159 A HN 0.718 nan 8.150 nan 0.000 0.486 160 T N -3.093 111.483 114.554 0.036 0.000 3.148 160 T HA 0.423 4.795 4.350 0.036 0.000 0.253 160 T C 1.401 176.151 174.700 0.083 0.000 1.134 160 T CA 1.068 63.197 62.100 0.048 0.000 1.051 160 T CB -0.270 68.620 68.868 0.036 0.000 0.959 160 T HN 1.992 nan 8.240 nan 0.000 0.525 161 G N 1.827 110.679 108.800 0.087 0.000 2.564 161 G HA2 -0.158 3.823 3.960 0.036 0.000 0.273 161 G HA3 -0.158 3.823 3.960 0.036 0.000 0.273 161 G C 0.035 175.025 174.900 0.149 0.000 1.242 161 G CA 0.177 45.347 45.100 0.118 0.000 0.951 161 G HN 1.480 nan 8.290 nan 0.000 0.564 162 S N -1.457 114.360 115.700 0.195 0.000 2.810 162 S HA 0.823 5.314 4.470 0.036 0.000 0.315 162 S C -0.831 173.997 174.600 0.381 0.000 1.138 162 S CA 0.095 58.435 58.200 0.234 0.000 0.889 162 S CB 2.689 65.996 63.200 0.179 0.000 1.236 162 S HN 1.691 nan 8.310 nan 0.000 0.548 163 W N 0.824 122.167 121.300 0.072 0.000 3.479 163 W HA 0.380 5.045 4.660 0.010 0.000 0.304 163 W C -3.431 173.117 176.519 0.049 0.000 1.243 163 W CA -2.049 55.335 57.345 0.066 0.000 1.202 163 W CB 1.801 31.305 29.460 0.073 0.000 1.346 163 W HN 0.487 nan 8.180 nan 0.000 0.539 164 P HA 0.030 nan 4.420 nan 0.000 0.267 164 P C 0.167 177.421 177.300 -0.077 0.000 1.205 164 P CA 0.782 63.735 63.100 -0.244 0.000 0.765 164 P CB 0.651 32.098 31.700 -0.422 0.000 0.828 165 T N 2.096 116.648 114.554 -0.003 0.000 2.899 165 T HA 0.366 4.737 4.350 0.036 0.000 0.295 165 T C 0.347 175.051 174.700 0.007 0.000 1.033 165 T CA -0.717 61.407 62.100 0.039 0.000 1.084 165 T CB 0.865 69.762 68.868 0.048 0.000 0.979 165 T HN 0.193 nan 8.240 nan 0.000 0.532 166 R N 0.945 121.461 120.500 0.027 0.000 2.797 166 R HA 0.436 4.797 4.340 0.036 0.000 0.251 166 R C 0.881 177.190 176.300 0.014 0.000 1.107 166 R CA -0.988 55.118 56.100 0.010 0.000 1.084 166 R CB 0.972 31.284 30.300 0.020 0.000 1.205 166 R HN 0.519 nan 8.270 nan 0.000 0.515 167 L N 0.974 122.201 121.223 0.006 0.000 2.313 167 L HA 0.147 4.509 4.340 0.036 0.000 0.214 167 L C 0.670 177.549 176.870 0.015 0.000 1.119 167 L CA 1.563 56.409 54.840 0.011 0.000 0.809 167 L CB -0.452 41.610 42.059 0.006 0.000 0.933 167 L HN 1.056 nan 8.230 nan 0.000 0.449 168 G N 0.281 109.089 108.800 0.014 0.000 2.359 168 G HA2 -0.184 3.798 3.960 0.036 0.000 0.298 168 G HA3 -0.184 3.798 3.960 0.036 0.000 0.298 168 G C -0.259 174.649 174.900 0.012 0.000 1.030 168 G CA 0.443 45.551 45.100 0.014 0.000 1.149 168 G HN 0.275 nan 8.290 nan 0.000 0.512 169 V N 1.524 121.446 119.914 0.013 0.000 2.888 169 V HA 0.561 4.702 4.120 0.036 0.000 0.309 169 V C -2.028 174.081 176.094 0.025 0.000 1.114 169 V CA -1.630 60.680 62.300 0.017 0.000 0.940 169 V CB 2.765 34.599 31.823 0.017 0.000 1.021 169 V HN 0.231 nan 8.190 nan 0.000 0.426 170 P HA 0.081 nan 4.420 nan 0.000 0.253 170 P C 0.795 178.153 177.300 0.097 0.000 1.159 170 P CA 1.682 64.810 63.100 0.046 0.000 0.779 170 P CB -0.076 31.643 31.700 0.032 0.000 0.745 171 G N 3.441 112.314 108.800 0.122 0.000 2.141 171 G HA2 -0.244 3.738 3.960 0.036 0.000 0.231 171 G HA3 -0.244 3.738 3.960 0.036 0.000 0.231 171 G C 0.857 175.866 174.900 0.181 0.000 0.984 171 G CA 0.257 45.527 45.100 0.284 0.000 0.660 171 G HN 0.545 nan 8.290 nan 0.000 0.525 172 D N 1.282 121.708 120.400 0.042 0.000 2.149 172 D HA -0.159 4.502 4.640 0.036 0.000 0.198 172 D C 2.117 178.398 176.300 -0.032 0.000 0.990 172 D CA 1.517 55.524 54.000 0.012 0.000 0.839 172 D CB -0.052 40.746 40.800 -0.003 0.000 0.948 172 D HN 0.599 nan 8.370 nan 0.000 0.460 173 E N 0.175 120.290 120.200 -0.142 0.000 2.472 173 E HA -0.160 4.212 4.350 0.036 0.000 0.200 173 E C 1.538 178.002 176.600 -0.227 0.000 1.046 173 E CA 0.325 56.602 56.400 -0.204 0.000 0.871 173 E CB -0.993 28.542 29.700 -0.275 0.000 0.806 173 E HN 0.348 nan 8.360 nan 0.000 0.533 174 F N 0.989 120.940 119.950 0.001 0.000 2.780 174 F HA 0.102 4.676 4.527 0.079 0.000 0.299 174 F C 1.116 176.902 175.800 -0.023 0.000 1.146 174 F CA -0.332 57.666 58.000 -0.005 0.000 1.428 174 F CB -0.069 38.930 39.000 -0.002 0.000 1.115 174 F HN -0.033 nan 8.300 nan 0.000 0.583 175 C N 1.139 120.500 119.300 0.102 0.000 2.382 175 C HA 0.647 5.129 4.460 0.036 0.000 0.363 175 C C 0.681 175.661 174.990 -0.017 0.000 1.213 175 C CA -1.298 57.733 59.018 0.022 0.000 2.363 175 C CB 0.612 28.345 27.740 -0.011 0.000 2.397 175 C HN 0.299 nan 8.230 nan 0.000 0.573 176 I N 0.273 120.805 120.570 -0.063 0.000 2.982 176 I HA 0.834 5.025 4.170 0.036 0.000 0.312 176 I C 0.270 176.288 176.117 -0.164 0.000 1.041 176 I CA -0.131 61.113 61.300 -0.093 0.000 1.053 176 I CB 1.842 39.791 38.000 -0.085 0.000 1.248 176 I HN 0.737 nan 8.210 nan 0.000 0.471 177 T N -1.071 113.349 114.554 -0.225 0.000 2.762 177 T HA 0.319 4.691 4.350 0.036 0.000 0.272 177 T C 1.109 175.559 174.700 -0.416 0.000 0.982 177 T CA 0.003 61.916 62.100 -0.312 0.000 1.013 177 T CB 0.926 69.588 68.868 -0.343 0.000 1.309 177 T HN 0.804 nan 8.240 nan 0.000 0.572 178 S N 1.123 116.527 115.700 -0.493 0.000 2.370 178 S HA -0.214 4.277 4.470 0.036 0.000 0.226 178 S C 1.753 176.174 174.600 -0.299 0.000 1.033 178 S CA 1.375 59.212 58.200 -0.606 0.000 1.011 178 S CB -1.141 61.841 63.200 -0.364 0.000 0.852 178 S HN 0.662 nan 8.310 nan 0.000 0.457 179 N N 2.234 120.735 118.700 -0.330 0.000 2.018 179 N HA -0.132 4.629 4.740 0.036 0.000 0.196 179 N C 1.741 177.108 175.510 -0.239 0.000 1.043 179 N CA 2.051 54.816 53.050 -0.475 0.000 0.856 179 N CB -0.675 36.979 38.487 -1.388 0.000 1.042 179 N HN 0.598 nan 8.380 nan 0.000 0.423 180 E N 0.389 120.429 120.200 -0.265 0.000 2.208 180 E HA 0.104 4.476 4.350 0.036 0.000 0.193 180 E C 1.878 178.607 176.600 0.214 0.000 0.988 180 E CA 0.783 57.260 56.400 0.128 0.000 0.828 180 E CB -0.236 29.509 29.700 0.075 0.000 0.763 180 E HN 0.379 nan 8.360 nan 0.000 0.478 181 A N 0.255 123.088 122.820 0.021 0.000 1.940 181 A HA -0.171 4.171 4.320 0.036 0.000 0.219 181 A C 1.633 179.329 177.584 0.187 0.000 1.176 181 A CA 1.066 53.144 52.037 0.068 0.000 0.631 181 A CB -0.734 18.138 19.000 -0.212 0.000 0.814 181 A HN 0.243 nan 8.150 nan 0.000 0.446 182 F N -2.142 117.907 119.950 0.165 0.000 2.546 182 F HA -0.040 4.505 4.527 0.030 0.000 0.298 182 F C 0.982 176.586 175.800 -0.327 0.000 1.120 182 F CA 0.948 58.884 58.000 -0.108 0.000 1.456 182 F CB -0.253 38.562 39.000 -0.309 0.000 1.088 182 F HN 0.340 nan 8.300 nan 0.000 0.572 183 Y N -1.067 119.493 120.300 0.434 0.000 2.707 183 Y HA 0.322 4.892 4.550 0.034 0.000 0.249 183 Y C 0.314 176.423 175.900 0.348 0.000 1.166 183 Y CA -0.893 57.426 58.100 0.366 0.000 1.184 183 Y CB -0.248 38.428 38.460 0.359 0.000 1.240 183 Y HN -0.269 nan 8.280 nan 0.000 0.547 184 L N 1.407 122.931 121.223 0.502 0.000 2.499 184 L HA -0.011 4.350 4.340 0.036 0.000 0.273 184 L C 1.068 178.218 176.870 0.468 0.000 1.195 184 L CA 0.053 55.130 54.840 0.395 0.000 0.882 184 L CB 0.890 43.101 42.059 0.254 0.000 1.133 184 L HN 0.304 nan 8.230 nan 0.000 0.483 185 E N 1.201 121.569 120.200 0.280 0.000 2.051 185 E HA -0.099 4.273 4.350 0.036 0.000 0.192 185 E C -0.417 176.341 176.600 0.263 0.000 0.991 185 E CA 1.212 57.764 56.400 0.254 0.000 0.799 185 E CB -0.021 29.771 29.700 0.153 0.000 0.748 185 E HN 0.630 nan 8.360 nan 0.000 0.449 186 D N -1.374 119.060 120.400 0.056 0.000 2.527 186 D HA 0.548 5.210 4.640 0.036 0.000 0.233 186 D C -1.331 174.615 176.300 -0.591 0.000 1.063 186 D CA -0.586 53.346 54.000 -0.113 0.000 0.880 186 D CB 1.633 42.406 40.800 -0.045 0.000 1.457 186 D HN 0.189 nan 8.370 nan 0.000 0.475 187 A N 2.421 124.775 122.820 -0.777 0.000 2.444 187 A HA 0.383 4.724 4.320 0.036 0.000 0.273 187 A C -2.056 175.297 177.584 -0.386 0.000 1.136 187 A CA -0.930 50.604 52.037 -0.837 0.000 0.799 187 A CB -0.337 18.453 19.000 -0.349 0.000 1.081 187 A HN 0.340 nan 8.150 nan 0.000 0.509 188 P HA 0.026 nan 4.420 nan 0.000 0.266 188 P C 0.292 177.455 177.300 -0.229 0.000 1.195 188 P CA -0.027 62.885 63.100 -0.313 0.000 0.768 188 P CB 0.943 32.379 31.700 -0.439 0.000 0.838 189 K N 2.621 122.904 120.400 -0.196 0.000 2.098 189 K HA -0.005 4.337 4.320 0.036 0.000 0.203 189 K C 0.474 176.877 176.600 -0.328 0.000 1.051 189 K CA 0.749 56.926 56.287 -0.182 0.000 0.957 189 K CB 0.255 32.680 32.500 -0.125 0.000 0.738 189 K HN 0.368 nan 8.250 nan 0.000 0.447 190 R N 1.148 121.428 120.500 -0.367 0.000 2.352 190 R HA 0.226 4.587 4.340 0.036 0.000 0.304 190 R C -1.062 175.103 176.300 -0.225 0.000 1.104 190 R CA -0.544 55.222 56.100 -0.557 0.000 0.991 190 R CB 1.371 31.378 30.300 -0.487 0.000 1.140 190 R HN 0.054 nan 8.270 nan 0.000 0.540 191 M N 3.584 123.022 119.600 -0.270 0.000 2.336 191 M HA 0.423 4.924 4.480 0.036 0.000 0.342 191 M C -1.765 174.341 176.300 -0.325 0.000 1.128 191 M CA -1.280 53.832 55.300 -0.315 0.000 1.016 191 M CB 1.383 33.705 32.600 -0.464 0.000 1.665 191 M HN 0.467 nan 8.290 nan 0.000 0.445 192 L N 5.684 126.594 121.223 -0.522 0.000 2.356 192 L HA 0.654 5.015 4.340 0.036 0.000 0.277 192 L C -1.742 174.926 176.870 -0.338 0.000 0.996 192 L CA -0.006 54.463 54.840 -0.619 0.000 0.822 192 L CB 1.458 42.796 42.059 -1.202 0.000 1.256 192 L HN 0.884 nan 8.230 nan 0.000 0.413 193 C N 4.863 124.050 119.300 -0.188 0.000 2.264 193 C HA 0.651 5.132 4.460 0.036 0.000 0.324 193 C C 0.064 175.023 174.990 -0.052 0.000 1.267 193 C CA -1.015 57.946 59.018 -0.095 0.000 1.618 193 C CB 0.689 28.426 27.740 -0.004 0.000 2.278 193 C HN 0.567 nan 8.230 nan 0.000 0.499 194 V N 4.145 124.032 119.914 -0.046 0.000 2.439 194 V HA 0.907 5.048 4.120 0.036 0.000 0.282 194 V C 0.678 176.795 176.094 0.038 0.000 1.039 194 V CA 0.742 63.052 62.300 0.018 0.000 0.913 194 V CB 0.728 32.558 31.823 0.011 0.000 0.983 194 V HN 1.338 nan 8.190 nan 0.000 0.460 195 G N 3.386 112.258 108.800 0.120 0.000 2.355 195 G HA2 0.407 4.388 3.960 0.036 0.000 0.619 195 G HA3 0.407 4.388 3.960 0.036 0.000 0.619 195 G C 0.018 174.945 174.900 0.044 0.000 1.337 195 G CA -0.203 44.982 45.100 0.141 0.000 0.993 195 G HN 1.236 nan 8.290 nan 0.000 0.599 196 G N -0.807 107.895 108.800 -0.162 0.000 4.385 196 G HA2 0.682 4.663 3.960 0.036 0.000 0.283 196 G HA3 0.682 4.663 3.960 0.036 0.000 0.283 196 G C 0.661 175.373 174.900 -0.312 0.000 1.020 196 G CA 1.184 45.925 45.100 -0.598 0.000 0.790 196 G HN 1.517 nan 8.290 nan 0.000 0.420 197 G N -0.217 108.520 108.800 -0.106 0.000 2.580 197 G HA2 0.374 4.355 3.960 0.036 0.000 0.278 197 G HA3 0.374 4.355 3.960 0.036 0.000 0.278 197 G C 0.889 175.801 174.900 0.020 0.000 1.212 197 G CA -0.110 45.007 45.100 0.028 0.000 0.939 197 G HN 0.340 nan 8.290 nan 0.000 0.513 198 Y N -0.748 119.564 120.300 0.020 0.000 2.207 198 Y HA -0.101 4.473 4.550 0.040 0.000 0.287 198 Y C 2.293 178.223 175.900 0.050 0.000 1.156 198 Y CA 1.315 59.414 58.100 -0.001 0.000 1.182 198 Y CB -0.604 37.890 38.460 0.057 0.000 0.979 198 Y HN 0.258 nan 8.280 nan 0.000 0.521 199 I N 1.102 121.232 120.570 -0.732 0.000 2.179 199 I HA -0.307 3.884 4.170 0.036 0.000 0.242 199 I C 2.869 178.974 176.117 -0.020 0.000 1.088 199 I CA 1.407 62.467 61.300 -0.401 0.000 1.357 199 I CB -0.808 36.939 38.000 -0.421 0.000 1.051 199 I HN 0.428 nan 8.210 nan 0.000 0.409 200 A N 0.452 123.231 122.820 -0.068 0.000 1.883 200 A HA -0.175 4.167 4.320 0.036 0.000 0.217 200 A C 2.422 180.027 177.584 0.036 0.000 1.186 200 A CA 2.055 54.088 52.037 -0.006 0.000 0.624 200 A CB -1.011 17.964 19.000 -0.042 0.000 0.822 200 A HN 0.259 nan 8.150 nan 0.000 0.444 201 V N -0.174 119.733 119.914 -0.011 0.000 2.358 201 V HA -0.241 3.900 4.120 0.036 0.000 0.246 201 V C 2.390 178.489 176.094 0.007 0.000 1.047 201 V CA 2.231 64.522 62.300 -0.016 0.000 1.035 201 V CB -0.876 30.906 31.823 -0.068 0.000 0.658 201 V HN 0.637 nan 8.190 nan 0.000 0.452 202 E N -0.514 119.688 120.200 0.005 0.000 2.077 202 E HA -0.196 4.176 4.350 0.036 0.000 0.193 202 E C 2.063 178.582 176.600 -0.136 0.000 0.989 202 E CA 1.473 57.843 56.400 -0.050 0.000 0.800 202 E CB -0.196 29.470 29.700 -0.057 0.000 0.746 202 E HN 0.583 nan 8.360 nan 0.000 0.452 203 F N 0.692 120.584 119.950 -0.096 0.000 2.163 203 F HA -0.087 4.468 4.527 0.048 0.000 0.297 203 F C 2.391 178.184 175.800 -0.011 0.000 1.094 203 F CA 0.955 58.869 58.000 -0.144 0.000 1.290 203 F CB -0.446 38.494 39.000 -0.100 0.000 1.017 203 F HN -0.007 nan 8.300 nan 0.000 0.483 204 A N 0.261 123.231 122.820 0.250 0.000 1.917 204 A HA -0.194 4.148 4.320 0.036 0.000 0.219 204 A C 2.530 180.203 177.584 0.150 0.000 1.182 204 A CA 2.025 54.192 52.037 0.217 0.000 0.633 204 A CB -1.665 17.406 19.000 0.118 0.000 0.819 204 A HN 0.427 nan 8.150 nan 0.000 0.448 205 G N -0.402 108.436 108.800 0.063 0.000 2.422 205 G HA2 -0.117 3.865 3.960 0.036 0.000 0.218 205 G HA3 -0.117 3.865 3.960 0.036 0.000 0.218 205 G C 1.505 176.421 174.900 0.026 0.000 1.140 205 G CA 1.041 46.160 45.100 0.032 0.000 0.775 205 G HN 0.506 nan 8.290 nan 0.000 0.545 206 I N -0.293 120.238 120.570 -0.065 0.000 2.202 206 I HA -0.057 4.134 4.170 0.036 0.000 0.242 206 I C 2.350 178.501 176.117 0.057 0.000 1.091 206 I CA 0.776 62.016 61.300 -0.101 0.000 1.368 206 I CB -0.249 37.497 38.000 -0.423 0.000 1.058 206 I HN 0.040 nan 8.210 nan 0.000 0.410 207 F N 0.975 121.038 119.950 0.188 0.000 2.171 207 F HA -0.192 4.356 4.527 0.034 0.000 0.300 207 F C 2.305 178.177 175.800 0.119 0.000 1.090 207 F CA 1.343 59.428 58.000 0.142 0.000 1.293 207 F CB -1.140 37.884 39.000 0.040 0.000 1.013 207 F HN 0.122 nan 8.300 nan 0.000 0.486 208 N N 0.245 119.100 118.700 0.259 0.000 2.272 208 N HA -0.115 4.646 4.740 0.036 0.000 0.185 208 N C 2.033 177.618 175.510 0.125 0.000 1.014 208 N CA 1.368 54.515 53.050 0.162 0.000 0.870 208 N CB -0.484 38.072 38.487 0.116 0.000 0.975 208 N HN 0.256 nan 8.380 nan 0.000 0.433 209 G N -2.310 106.575 108.800 0.142 0.000 2.492 209 G HA2 -0.101 3.880 3.960 0.036 0.000 0.214 209 G HA3 -0.101 3.880 3.960 0.036 0.000 0.214 209 G C 0.738 175.605 174.900 -0.055 0.000 1.147 209 G CA 0.216 45.340 45.100 0.040 0.000 0.809 209 G HN 0.367 nan 8.290 nan 0.000 0.533 210 Y N 1.230 121.636 120.300 0.176 0.000 2.467 210 Y HA 0.244 4.817 4.550 0.038 0.000 0.250 210 Y C 1.234 177.238 175.900 0.173 0.000 1.155 210 Y CA -0.685 57.558 58.100 0.239 0.000 1.249 210 Y CB 0.362 39.104 38.460 0.471 0.000 1.146 210 Y HN 0.083 nan 8.280 nan 0.000 0.524 211 K N 2.045 122.573 120.400 0.214 0.000 2.485 211 K HA 0.101 4.443 4.320 0.036 0.000 0.277 211 K C -2.659 173.988 176.600 0.079 0.000 0.990 211 K CA -1.290 55.063 56.287 0.109 0.000 0.994 211 K CB 0.016 32.564 32.500 0.079 0.000 0.906 211 K HN -0.029 nan 8.250 nan 0.000 0.488 212 P HA 0.050 nan 4.420 nan 0.000 0.289 212 P C -0.221 177.102 177.300 0.037 0.000 1.299 212 P CA -0.784 62.342 63.100 0.043 0.000 0.766 212 P CB 0.392 32.107 31.700 0.025 0.000 1.226 213 C N -0.881 118.441 119.300 0.036 0.000 2.634 213 C HA 0.333 4.815 4.460 0.036 0.000 0.417 213 C C 2.087 177.104 174.990 0.045 0.000 1.334 213 C CA 1.722 60.763 59.018 0.038 0.000 1.829 213 C CB -1.211 26.549 27.740 0.032 0.000 2.665 213 C HN 0.971 nan 8.230 nan 0.000 0.614 214 G N 2.520 111.356 108.800 0.061 0.000 2.196 214 G HA2 -0.165 3.816 3.960 0.036 0.000 0.268 214 G HA3 -0.165 3.816 3.960 0.036 0.000 0.268 214 G C 0.528 175.520 174.900 0.152 0.000 0.975 214 G CA 0.473 45.628 45.100 0.092 0.000 0.648 214 G HN 1.356 nan 8.290 nan 0.000 0.538 215 G N -0.376 108.480 108.800 0.093 0.000 2.594 215 G HA2 0.642 4.623 3.960 0.036 0.000 0.243 215 G HA3 0.642 4.623 3.960 0.036 0.000 0.243 215 G C -0.303 174.694 174.900 0.162 0.000 1.229 215 G CA 0.360 45.485 45.100 0.043 0.000 0.843 215 G HN 1.640 nan 8.290 nan 0.000 0.578 216 Y N -2.020 118.300 120.300 0.032 0.000 2.624 216 Y HA 0.640 5.213 4.550 0.039 0.000 0.334 216 Y C -1.297 174.638 175.900 0.058 0.000 1.155 216 Y CA -1.692 56.434 58.100 0.043 0.000 1.046 216 Y CB 1.476 39.958 38.460 0.037 0.000 1.316 216 Y HN 0.726 nan 8.280 nan 0.000 0.457 217 V N 2.265 122.306 119.914 0.213 0.000 2.531 217 V HA 0.603 4.745 4.120 0.036 0.000 0.301 217 V C -1.687 174.509 176.094 0.169 0.000 1.034 217 V CA -0.341 62.033 62.300 0.122 0.000 0.865 217 V CB 1.649 33.532 31.823 0.100 0.000 0.995 217 V HN 0.868 nan 8.190 nan 0.000 0.424 218 D N 5.470 125.948 120.400 0.131 0.000 2.217 218 D HA 0.439 5.100 4.640 0.036 0.000 0.243 218 D C -0.521 175.784 176.300 0.009 0.000 1.054 218 D CA 0.155 54.214 54.000 0.097 0.000 0.838 218 D CB 2.339 43.234 40.800 0.159 0.000 1.162 218 D HN 0.623 nan 8.370 nan 0.000 0.472 219 L N 2.396 123.632 121.223 0.021 0.000 2.280 219 L HA 0.371 4.732 4.340 0.036 0.000 0.287 219 L C -0.883 176.004 176.870 0.028 0.000 1.023 219 L CA -0.590 54.261 54.840 0.017 0.000 0.819 219 L CB 0.777 42.849 42.059 0.020 0.000 1.212 219 L HN 0.467 nan 8.230 nan 0.000 0.420 220 C N 5.867 125.194 119.300 0.044 0.000 2.281 220 C HA 0.540 5.021 4.460 0.036 0.000 0.323 220 C C -0.897 174.194 174.990 0.169 0.000 1.270 220 C CA -0.485 58.579 59.018 0.076 0.000 1.559 220 C CB 0.118 27.924 27.740 0.109 0.000 2.239 220 C HN 0.760 nan 8.230 nan 0.000 0.488 221 Y N 5.992 126.294 120.300 0.003 0.000 2.462 221 Y HA 0.563 5.133 4.550 0.033 0.000 0.346 221 Y C 1.110 177.021 175.900 0.019 0.000 0.976 221 Y CA -1.095 57.013 58.100 0.014 0.000 1.044 221 Y CB 1.372 39.838 38.460 0.010 0.000 1.230 221 Y HN 0.801 nan 8.280 nan 0.000 0.455 222 R N 1.919 122.107 120.500 -0.521 0.000 2.275 222 R HA 0.336 4.697 4.340 0.036 0.000 0.199 222 R C 0.646 176.600 176.300 -0.576 0.000 0.989 222 R CA 0.647 56.488 56.100 -0.431 0.000 1.016 222 R CB 0.020 30.166 30.300 -0.257 0.000 0.918 222 R HN 0.637 nan 8.270 nan 0.000 0.473 223 G N -0.144 107.954 108.800 -1.171 0.000 2.613 223 G HA2 0.123 4.104 3.960 0.036 0.000 0.303 223 G HA3 0.123 4.104 3.960 0.036 0.000 0.303 223 G C -0.508 174.314 174.900 -0.130 0.000 1.312 223 G CA -0.543 44.219 45.100 -0.562 0.000 1.036 223 G HN -0.072 nan 8.290 nan 0.000 0.513 224 D N -1.376 119.047 120.400 0.038 0.000 2.123 224 D HA 0.002 4.663 4.640 0.036 0.000 0.200 224 D C 0.326 176.718 176.300 0.152 0.000 0.976 224 D CA 0.989 55.036 54.000 0.079 0.000 0.831 224 D CB 0.190 41.024 40.800 0.057 0.000 0.974 224 D HN 0.034 nan 8.370 nan 0.000 0.469 225 L N 0.783 122.145 121.223 0.232 0.000 2.431 225 L HA 0.333 4.695 4.340 0.036 0.000 0.266 225 L C -0.586 176.374 176.870 0.151 0.000 0.978 225 L CA -1.040 53.901 54.840 0.167 0.000 0.822 225 L CB 1.692 43.810 42.059 0.098 0.000 1.310 225 L HN -0.067 nan 8.230 nan 0.000 0.409 226 I N 2.153 122.704 120.570 -0.031 0.000 2.938 226 I HA 0.338 4.530 4.170 0.036 0.000 0.285 226 I C 0.053 176.052 176.117 -0.197 0.000 1.182 226 I CA -0.608 60.499 61.300 -0.322 0.000 1.388 226 I CB 0.280 38.112 38.000 -0.280 0.000 1.390 226 I HN 0.694 nan 8.210 nan 0.000 0.600 227 L N 2.033 123.114 121.223 -0.237 0.000 3.573 227 L HA -0.163 4.198 4.340 0.036 0.000 0.578 227 L C 0.352 177.346 176.870 0.205 0.000 1.299 227 L CA 0.300 55.123 54.840 -0.028 0.000 0.914 227 L CB -1.517 40.391 42.059 -0.252 0.000 1.563 227 L HN 0.754 nan 8.230 nan 0.000 0.860 228 R N 0.661 121.253 120.500 0.153 0.000 2.585 228 R HA 0.250 4.612 4.340 0.036 0.000 0.275 228 R C 1.431 177.839 176.300 0.179 0.000 1.018 228 R CA 1.283 57.486 56.100 0.172 0.000 1.072 228 R CB 0.349 30.747 30.300 0.164 0.000 0.953 228 R HN 0.609 nan 8.270 nan 0.000 0.419 229 G N 1.959 110.812 108.800 0.088 0.000 2.194 229 G HA2 -0.274 3.707 3.960 0.036 0.000 0.236 229 G HA3 -0.274 3.707 3.960 0.036 0.000 0.236 229 G C -0.148 174.632 174.900 -0.201 0.000 0.987 229 G CA -0.441 44.622 45.100 -0.061 0.000 0.635 229 G HN 0.460 nan 8.290 nan 0.000 0.520 230 F N 1.260 121.194 119.950 -0.027 0.000 2.411 230 F HA 0.523 5.071 4.527 0.035 0.000 0.324 230 F C 0.806 176.534 175.800 -0.121 0.000 1.086 230 F CA -0.683 57.283 58.000 -0.056 0.000 1.028 230 F CB 0.674 39.650 39.000 -0.040 0.000 1.284 230 F HN -0.009 nan 8.300 nan 0.000 0.501 231 D N 0.887 121.274 120.400 -0.022 0.000 2.487 231 D HA -0.059 4.602 4.640 0.036 0.000 0.243 231 D C 0.917 177.204 176.300 -0.021 0.000 1.154 231 D CA 0.382 54.275 54.000 -0.179 0.000 0.876 231 D CB 1.209 41.812 40.800 -0.327 0.000 1.161 231 D HN 0.600 nan 8.370 nan 0.000 0.478 232 T N 3.875 118.424 114.554 -0.008 0.000 2.720 232 T HA -0.161 4.210 4.350 0.036 0.000 0.268 232 T C 1.490 176.205 174.700 0.026 0.000 1.037 232 T CA 0.845 62.961 62.100 0.027 0.000 1.144 232 T CB 0.099 68.992 68.868 0.042 0.000 0.864 232 T HN 0.474 nan 8.240 nan 0.000 0.444 233 E N 0.714 120.932 120.200 0.030 0.000 2.106 233 E HA -0.032 4.340 4.350 0.036 0.000 0.192 233 E C 2.503 179.109 176.600 0.010 0.000 0.984 233 E CA 0.500 56.919 56.400 0.032 0.000 0.806 233 E CB -0.565 29.171 29.700 0.060 0.000 0.750 233 E HN 0.329 nan 8.360 nan 0.000 0.458 234 V N 1.299 121.214 119.914 0.002 0.000 2.307 234 V HA -0.253 3.888 4.120 0.036 0.000 0.245 234 V C 2.373 178.439 176.094 -0.048 0.000 1.045 234 V CA 1.818 64.103 62.300 -0.024 0.000 1.024 234 V CB -0.386 31.437 31.823 -0.000 0.000 0.651 234 V HN 0.182 nan 8.190 nan 0.000 0.449 235 R N 0.012 120.494 120.500 -0.029 0.000 2.081 235 R HA -0.148 4.213 4.340 0.036 0.000 0.235 235 R C 2.405 178.682 176.300 -0.039 0.000 1.131 235 R CA 1.458 57.530 56.100 -0.048 0.000 0.960 235 R CB -0.328 29.967 30.300 -0.007 0.000 0.856 235 R HN 0.462 nan 8.270 nan 0.000 0.436 236 K N -0.171 120.219 120.400 -0.016 0.000 2.097 236 K HA -0.051 4.290 4.320 0.036 0.000 0.205 236 K C 2.270 178.859 176.600 -0.019 0.000 1.050 236 K CA 1.295 57.576 56.287 -0.009 0.000 0.938 236 K CB -0.110 32.393 32.500 0.005 0.000 0.718 236 K HN 0.022 nan 8.250 nan 0.000 0.442 237 S N 0.991 116.675 115.700 -0.027 0.000 2.428 237 S HA -0.072 4.420 4.470 0.036 0.000 0.230 237 S C 1.836 176.406 174.600 -0.050 0.000 1.014 237 S CA 0.563 58.742 58.200 -0.035 0.000 0.957 237 S CB -0.025 63.149 63.200 -0.043 0.000 0.784 237 S HN 0.208 nan 8.310 nan 0.000 0.499 238 L N 1.390 122.572 121.223 -0.068 0.000 2.095 238 L HA 0.062 4.423 4.340 0.036 0.000 0.204 238 L C 2.340 179.177 176.870 -0.055 0.000 1.080 238 L CA 2.012 56.804 54.840 -0.079 0.000 0.759 238 L CB -1.186 40.802 42.059 -0.119 0.000 0.914 238 L HN 0.215 nan 8.230 nan 0.000 0.439 239 T N -0.459 114.066 114.554 -0.048 0.000 2.720 239 T HA -0.259 4.113 4.350 0.036 0.000 0.268 239 T C 1.917 176.604 174.700 -0.020 0.000 1.037 239 T CA 1.879 63.959 62.100 -0.032 0.000 1.144 239 T CB -0.210 68.645 68.868 -0.022 0.000 0.864 239 T HN 0.289 nan 8.240 nan 0.000 0.444 240 K N 0.546 120.936 120.400 -0.016 0.000 2.057 240 K HA -0.080 4.261 4.320 0.036 0.000 0.207 240 K C 2.508 179.109 176.600 0.002 0.000 1.049 240 K CA 1.236 57.518 56.287 -0.008 0.000 0.931 240 K CB -0.039 32.459 32.500 -0.004 0.000 0.714 240 K HN 0.326 nan 8.250 nan 0.000 0.440 241 Q N 0.099 119.907 119.800 0.013 0.000 2.187 241 Q HA -0.010 4.351 4.340 0.036 0.000 0.199 241 Q C 2.005 178.032 176.000 0.044 0.000 0.957 241 Q CA 0.723 56.567 55.803 0.069 0.000 0.857 241 Q CB 0.184 28.949 28.738 0.046 0.000 0.929 241 Q HN 0.301 nan 8.270 nan 0.000 0.453 242 L N -0.728 120.496 121.223 0.003 0.000 2.056 242 L HA -0.108 4.253 4.340 0.036 0.000 0.207 242 L C 2.301 179.164 176.870 -0.012 0.000 1.078 242 L CA 1.097 55.936 54.840 -0.002 0.000 0.749 242 L CB -0.757 41.296 42.059 -0.011 0.000 0.901 242 L HN 0.349 nan 8.230 nan 0.000 0.433 243 G N -0.144 108.644 108.800 -0.021 0.000 2.459 243 G HA2 -0.292 3.689 3.960 0.036 0.000 0.217 243 G HA3 -0.292 3.689 3.960 0.036 0.000 0.217 243 G C 1.741 176.602 174.900 -0.066 0.000 1.183 243 G CA 0.830 45.910 45.100 -0.033 0.000 0.776 243 G HN 0.464 nan 8.290 nan 0.000 0.552 244 A N 0.571 123.329 122.820 -0.103 0.000 2.019 244 A HA -0.077 4.265 4.320 0.036 0.000 0.219 244 A C 2.085 179.497 177.584 -0.286 0.000 1.164 244 A CA 1.900 53.796 52.037 -0.236 0.000 0.644 244 A CB -0.354 18.424 19.000 -0.371 0.000 0.805 244 A HN 0.400 nan 8.150 nan 0.000 0.449 245 N N -1.451 117.155 118.700 -0.156 0.000 2.336 245 N HA 0.190 4.951 4.740 0.036 0.000 0.189 245 N C 0.979 176.470 175.510 -0.031 0.000 1.113 245 N CA 1.110 54.112 53.050 -0.081 0.000 0.858 245 N CB 0.335 38.828 38.487 0.010 0.000 0.970 245 N HN 0.544 nan 8.380 nan 0.000 0.471 246 G N -0.118 108.662 108.800 -0.032 0.000 2.201 246 G HA2 -0.211 3.771 3.960 0.036 0.000 0.212 246 G HA3 -0.211 3.771 3.960 0.036 0.000 0.212 246 G C 0.007 174.926 174.900 0.033 0.000 0.994 246 G CA -0.164 44.937 45.100 0.002 0.000 0.644 246 G HN 0.253 nan 8.290 nan 0.000 0.508 247 I N 1.947 122.535 120.570 0.030 0.000 2.396 247 I HA 0.262 4.453 4.170 0.036 0.000 0.289 247 I C 1.076 177.211 176.117 0.031 0.000 1.056 247 I CA -0.475 60.853 61.300 0.048 0.000 1.365 247 I CB 0.971 38.997 38.000 0.044 0.000 1.407 247 I HN 0.146 nan 8.210 nan 0.000 0.509 248 R N 6.771 127.298 120.500 0.046 0.000 2.248 248 R HA 0.349 4.710 4.340 0.036 0.000 0.337 248 R C -1.208 175.102 176.300 0.018 0.000 1.085 248 R CA -0.429 55.684 56.100 0.022 0.000 0.934 248 R CB 0.547 30.860 30.300 0.021 0.000 1.034 248 R HN 0.452 nan 8.270 nan 0.000 0.465 249 V N 6.288 126.205 119.914 0.004 0.000 2.432 249 V HA 0.312 4.453 4.120 0.036 0.000 0.271 249 V C 0.361 176.453 176.094 -0.003 0.000 1.046 249 V CA -0.304 61.999 62.300 0.006 0.000 0.945 249 V CB 1.106 32.931 31.823 0.004 0.000 0.992 249 V HN 0.757 nan 8.190 nan 0.000 0.471 250 R N 2.694 123.191 120.500 -0.004 0.000 2.562 250 R HA 0.700 5.062 4.340 0.036 0.000 0.298 250 R C -0.502 175.803 176.300 0.010 0.000 0.961 250 R CA -0.451 55.629 56.100 -0.033 0.000 0.881 250 R CB 2.133 32.365 30.300 -0.113 0.000 1.159 250 R HN 0.680 nan 8.270 nan 0.000 0.450 251 T N 2.167 116.720 114.554 -0.001 0.000 2.887 251 T HA 0.239 4.610 4.350 0.036 0.000 0.288 251 T C -0.280 174.404 174.700 -0.027 0.000 1.021 251 T CA -0.725 61.392 62.100 0.027 0.000 1.000 251 T CB 0.912 69.806 68.868 0.043 0.000 1.034 251 T HN 0.680 nan 8.240 nan 0.000 0.467 252 N N 0.902 119.565 118.700 -0.062 0.000 2.725 252 N HA -0.159 4.603 4.740 0.036 0.000 0.251 252 N C -1.052 174.424 175.510 -0.056 0.000 1.031 252 N CA 0.414 53.416 53.050 -0.081 0.000 0.720 252 N CB -0.945 37.511 38.487 -0.051 0.000 0.930 252 N HN 0.425 nan 8.380 nan 0.000 0.543 253 L N 0.074 121.268 121.223 -0.049 0.000 2.409 253 L HA 0.677 5.038 4.340 0.036 0.000 0.262 253 L C -0.840 176.077 176.870 0.077 0.000 0.992 253 L CA -0.574 54.264 54.840 -0.003 0.000 0.817 253 L CB 2.217 44.218 42.059 -0.096 0.000 1.350 253 L HN 0.104 nan 8.230 nan 0.000 0.411 254 N N 2.479 121.299 118.700 0.198 0.000 2.452 254 N HA 0.441 5.202 4.740 0.036 0.000 0.277 254 N C -2.973 172.688 175.510 0.251 0.000 1.078 254 N CA -1.285 51.878 53.050 0.188 0.000 0.947 254 N CB 3.112 41.648 38.487 0.081 0.000 1.655 254 N HN 0.202 nan 8.380 nan 0.000 0.490 255 P HA 0.166 nan 4.420 nan 0.000 0.265 255 P C 0.208 177.502 177.300 -0.010 0.000 1.193 255 P CA 0.098 63.152 63.100 -0.078 0.000 0.765 255 P CB 0.798 32.422 31.700 -0.126 0.000 0.823 256 T N 1.690 116.237 114.554 -0.013 0.000 3.046 256 T HA 0.077 4.449 4.350 0.036 0.000 0.242 256 T C 0.471 175.178 174.700 0.012 0.000 1.018 256 T CA 0.643 62.755 62.100 0.020 0.000 1.131 256 T CB 0.006 68.899 68.868 0.041 0.000 0.904 256 T HN 0.502 nan 8.240 nan 0.000 0.459 257 K N 0.319 120.737 120.400 0.030 0.000 2.575 257 K HA 0.625 4.967 4.320 0.036 0.000 0.279 257 K C -2.335 174.338 176.600 0.121 0.000 0.969 257 K CA -0.950 55.372 56.287 0.058 0.000 0.868 257 K CB 1.293 33.801 32.500 0.014 0.000 1.457 257 K HN -0.046 nan 8.250 nan 0.000 0.426 258 I N 1.378 122.027 120.570 0.131 0.000 2.498 258 I HA 0.368 4.559 4.170 0.036 0.000 0.290 258 I C -0.744 175.444 176.117 0.119 0.000 1.032 258 I CA -0.375 60.996 61.300 0.119 0.000 1.073 258 I CB 2.296 40.359 38.000 0.106 0.000 1.251 258 I HN 0.793 nan 8.210 nan 0.000 0.426 259 T N 1.490 116.051 114.554 0.012 0.000 2.841 259 T HA 0.511 4.882 4.350 0.036 0.000 0.283 259 T C -0.532 173.949 174.700 -0.365 0.000 1.000 259 T CA -1.035 60.982 62.100 -0.139 0.000 0.977 259 T CB 1.627 70.504 68.868 0.015 0.000 0.979 259 T HN 0.509 nan 8.240 nan 0.000 0.446 260 K N 2.994 122.963 120.400 -0.718 0.000 2.310 260 K HA 0.202 4.544 4.320 0.036 0.000 0.290 260 K C -0.136 176.298 176.600 -0.276 0.000 1.077 260 K CA -0.638 55.278 56.287 -0.619 0.000 0.922 260 K CB 0.195 32.166 32.500 -0.881 0.000 1.057 260 K HN 0.535 nan 8.250 nan 0.000 0.479 261 N N 2.954 121.547 118.700 -0.177 0.000 2.407 261 N HA -0.066 4.695 4.740 0.036 0.000 0.250 261 N C 0.324 175.779 175.510 -0.091 0.000 1.236 261 N CA 0.338 53.321 53.050 -0.112 0.000 0.879 261 N CB 0.722 39.164 38.487 -0.075 0.000 1.088 261 N HN 0.578 nan 8.380 nan 0.000 0.450 262 E N -0.020 120.139 120.200 -0.068 0.000 2.516 262 E HA -0.122 4.249 4.350 0.036 0.000 0.199 262 E C 0.430 177.010 176.600 -0.034 0.000 1.069 262 E CA 0.435 56.808 56.400 -0.045 0.000 0.876 262 E CB 0.117 29.796 29.700 -0.036 0.000 0.843 262 E HN 0.557 nan 8.360 nan 0.000 0.530 263 D N -1.297 119.080 120.400 -0.038 0.000 2.360 263 D HA 0.019 4.681 4.640 0.036 0.000 0.210 263 D C 1.375 177.659 176.300 -0.028 0.000 1.047 263 D CA 0.881 54.864 54.000 -0.029 0.000 0.854 263 D CB 0.720 41.503 40.800 -0.029 0.000 0.936 263 D HN 0.198 nan 8.370 nan 0.000 0.514 264 G N 0.628 109.406 108.800 -0.038 0.000 2.541 264 G HA2 -0.240 3.741 3.960 0.036 0.000 0.201 264 G HA3 -0.240 3.741 3.960 0.036 0.000 0.201 264 G C 0.529 175.398 174.900 -0.051 0.000 1.026 264 G CA 0.248 45.328 45.100 -0.033 0.000 0.687 264 G HN 0.683 nan 8.290 nan 0.000 0.492 265 S N 1.031 116.697 115.700 -0.057 0.000 2.612 265 S HA 0.516 5.008 4.470 0.036 0.000 0.253 265 S C -0.033 174.516 174.600 -0.085 0.000 1.346 265 S CA 0.270 58.432 58.200 -0.063 0.000 0.976 265 S CB 0.747 63.913 63.200 -0.058 0.000 0.949 265 S HN 0.520 nan 8.310 nan 0.000 0.584 266 N N 0.473 119.132 118.700 -0.068 0.000 2.354 266 N HA 0.238 4.999 4.740 0.036 0.000 0.287 266 N C -1.583 173.896 175.510 -0.051 0.000 1.016 266 N CA -0.360 52.638 53.050 -0.086 0.000 0.871 266 N CB 1.349 39.801 38.487 -0.059 0.000 1.299 266 N HN 0.777 nan 8.380 nan 0.000 0.482 267 H N 0.861 119.834 119.070 -0.162 0.000 2.604 267 H HA 0.391 4.967 4.556 0.033 0.000 0.306 267 H C -0.830 174.379 175.328 -0.197 0.000 1.075 267 H CA -0.198 55.738 56.048 -0.188 0.000 1.357 267 H CB 0.639 30.286 29.762 -0.191 0.000 1.426 267 H HN 0.119 nan 8.280 nan 0.000 0.470 268 V N 6.496 126.114 119.914 -0.492 0.000 2.409 268 V HA 0.175 4.317 4.120 0.036 0.000 0.291 268 V C -0.160 175.555 176.094 -0.632 0.000 1.020 268 V CA -0.872 61.169 62.300 -0.432 0.000 0.848 268 V CB 1.212 32.810 31.823 -0.375 0.000 0.990 268 V HN 0.845 nan 8.190 nan 0.000 0.430 269 H N 4.210 123.090 119.070 -0.316 0.000 2.489 269 H HA 0.482 5.058 4.556 0.033 0.000 0.322 269 H C -0.916 174.246 175.328 -0.277 0.000 1.091 269 H CA -0.115 55.819 56.048 -0.191 0.000 1.291 269 H CB 1.530 31.267 29.762 -0.042 0.000 1.436 269 H HN 0.439 nan 8.280 nan 0.000 0.480 270 F N 0.950 120.964 119.950 0.107 0.000 2.509 270 F HA 0.087 4.639 4.527 0.040 0.000 0.334 270 F C 1.866 177.701 175.800 0.060 0.000 1.060 270 F CA -0.737 57.304 58.000 0.068 0.000 0.997 270 F CB 0.633 39.659 39.000 0.043 0.000 1.271 270 F HN 0.450 nan 8.300 nan 0.000 0.488 271 N N 1.030 119.918 118.700 0.314 0.000 2.094 271 N HA -0.200 4.561 4.740 0.036 0.000 0.191 271 N C 1.221 176.802 175.510 0.118 0.000 1.023 271 N CA 1.906 55.053 53.050 0.161 0.000 0.857 271 N CB -0.326 38.234 38.487 0.122 0.000 1.013 271 N HN 0.691 nan 8.380 nan 0.000 0.426 272 D N -1.828 118.643 120.400 0.118 0.000 2.349 272 D HA 0.087 4.748 4.640 0.036 0.000 0.224 272 D C 1.181 177.532 176.300 0.084 0.000 1.029 272 D CA 0.946 54.987 54.000 0.070 0.000 0.879 272 D CB -0.283 40.533 40.800 0.026 0.000 0.906 272 D HN 0.348 nan 8.370 nan 0.000 0.528 273 G N -0.370 108.508 108.800 0.131 0.000 2.195 273 G HA2 -0.250 3.731 3.960 0.036 0.000 0.224 273 G HA3 -0.250 3.731 3.960 0.036 0.000 0.224 273 G C 0.420 175.409 174.900 0.149 0.000 0.990 273 G CA 0.286 45.462 45.100 0.127 0.000 0.639 273 G HN 0.643 nan 8.290 nan 0.000 0.514 274 T N 0.588 115.243 114.554 0.168 0.000 2.860 274 T HA 0.545 4.916 4.350 0.036 0.000 0.299 274 T C -0.059 174.758 174.700 0.196 0.000 1.045 274 T CA 0.616 62.812 62.100 0.159 0.000 1.071 274 T CB 0.706 69.639 68.868 0.109 0.000 0.985 274 T HN 0.358 nan 8.240 nan 0.000 0.537 275 E N 1.720 121.965 120.200 0.075 0.000 2.272 275 E HA 0.503 4.874 4.350 0.036 0.000 0.269 275 E C -1.039 175.433 176.600 -0.212 0.000 0.877 275 E CA -0.690 55.620 56.400 -0.150 0.000 0.755 275 E CB 2.234 31.846 29.700 -0.147 0.000 1.192 275 E HN 0.624 nan 8.360 nan 0.000 0.422 276 E N 1.373 121.332 120.200 -0.402 0.000 2.413 276 E HA 0.229 4.600 4.350 0.036 0.000 0.277 276 E C -1.619 174.621 176.600 -0.601 0.000 0.958 276 E CA -0.756 55.407 56.400 -0.395 0.000 0.779 276 E CB 1.610 31.175 29.700 -0.225 0.000 1.278 276 E HN 0.282 nan 8.360 nan 0.000 0.456 277 D N 1.514 121.606 120.400 -0.513 0.000 2.233 277 D HA 0.308 4.969 4.640 0.036 0.000 0.240 277 D C -1.274 174.701 176.300 -0.542 0.000 1.074 277 D CA 0.150 53.922 54.000 -0.379 0.000 0.838 277 D CB 0.645 41.350 40.800 -0.158 0.000 1.124 277 D HN 0.243 nan 8.370 nan 0.000 0.475 278 Y N 0.766 121.003 120.300 -0.105 0.000 2.391 278 Y HA 0.169 4.739 4.550 0.034 0.000 0.341 278 Y C 1.267 177.076 175.900 -0.151 0.000 0.965 278 Y CA -0.878 57.141 58.100 -0.135 0.000 1.067 278 Y CB 1.737 40.120 38.460 -0.129 0.000 1.199 278 Y HN 0.211 nan 8.280 nan 0.000 0.450 279 D N 0.967 121.348 120.400 -0.031 0.000 2.178 279 D HA -0.133 4.528 4.640 0.036 0.000 0.201 279 D C 0.214 176.453 176.300 -0.102 0.000 0.980 279 D CA 1.629 55.576 54.000 -0.087 0.000 0.842 279 D CB 0.472 41.191 40.800 -0.136 0.000 0.948 279 D HN 0.487 nan 8.370 nan 0.000 0.472 280 Q N -0.830 118.892 119.800 -0.130 0.000 2.353 280 Q HA 0.383 4.744 4.340 0.036 0.000 0.275 280 Q C -1.824 174.048 176.000 -0.214 0.000 1.029 280 Q CA -0.517 55.177 55.803 -0.182 0.000 0.848 280 Q CB 2.855 31.417 28.738 -0.294 0.000 1.390 280 Q HN -0.246 nan 8.270 nan 0.000 0.401 281 V N 3.578 123.384 119.914 -0.180 0.000 2.409 281 V HA 0.528 4.669 4.120 0.036 0.000 0.290 281 V C -0.626 175.357 176.094 -0.184 0.000 1.017 281 V CA -0.547 61.631 62.300 -0.203 0.000 0.841 281 V CB 1.585 33.326 31.823 -0.137 0.000 1.003 281 V HN 0.881 nan 8.190 nan 0.000 0.426 282 M N 6.099 125.568 119.600 -0.220 0.000 2.238 282 M HA 0.613 5.115 4.480 0.036 0.000 0.350 282 M C -1.513 174.690 176.300 -0.162 0.000 1.138 282 M CA -0.566 54.613 55.300 -0.202 0.000 1.040 282 M CB 1.274 33.733 32.600 -0.235 0.000 1.639 282 M HN 0.530 nan 8.290 nan 0.000 0.451 283 L N 5.253 126.384 121.223 -0.153 0.000 2.265 283 L HA 0.587 4.948 4.340 0.036 0.000 0.289 283 L C -0.090 176.695 176.870 -0.142 0.000 1.033 283 L CA -0.530 54.241 54.840 -0.115 0.000 0.814 283 L CB 1.301 43.308 42.059 -0.087 0.000 1.203 283 L HN 0.868 nan 8.230 nan 0.000 0.423 284 A N 5.041 127.797 122.820 -0.107 0.000 3.204 284 A HA 0.481 4.823 4.320 0.036 0.000 0.327 284 A C 0.530 178.090 177.584 -0.041 0.000 0.998 284 A CA -0.372 51.599 52.037 -0.110 0.000 0.891 284 A CB -0.188 18.732 19.000 -0.133 0.000 1.061 284 A HN 0.864 nan 8.150 nan 0.000 0.478 285 I N -2.749 117.810 120.570 -0.019 0.000 4.082 285 I HA 0.649 4.840 4.170 0.036 0.000 0.337 285 I C 0.553 176.697 176.117 0.046 0.000 1.352 285 I CA 0.026 61.346 61.300 0.034 0.000 1.097 285 I CB 0.730 38.754 38.000 0.040 0.000 1.048 285 I HN 0.463 nan 8.210 nan 0.000 0.393 286 G N 1.348 110.163 108.800 0.026 0.000 2.343 286 G HA2 0.286 4.267 3.960 0.036 0.000 0.298 286 G HA3 0.286 4.267 3.960 0.036 0.000 0.298 286 G C -1.563 173.360 174.900 0.038 0.000 1.644 286 G CA -1.113 44.017 45.100 0.049 0.000 0.958 286 G HN 0.150 nan 8.290 nan 0.000 0.702 287 R N 0.502 121.043 120.500 0.068 0.000 2.435 287 R HA 0.563 4.924 4.340 0.036 0.000 0.308 287 R C 0.224 176.591 176.300 0.112 0.000 0.975 287 R CA -0.776 55.373 56.100 0.081 0.000 0.867 287 R CB 2.056 32.409 30.300 0.087 0.000 1.171 287 R HN 0.787 nan 8.270 nan 0.000 0.470 288 V N 1.124 121.116 119.914 0.131 0.000 2.567 288 V HA 0.514 4.656 4.120 0.036 0.000 0.289 288 V C -2.305 173.881 176.094 0.154 0.000 1.049 288 V CA -2.908 59.471 62.300 0.130 0.000 0.969 288 V CB 1.062 32.957 31.823 0.120 0.000 0.995 288 V HN 0.507 nan 8.190 nan 0.000 0.471 289 P HA 0.115 nan 4.420 nan 0.000 0.264 289 P C -0.506 176.862 177.300 0.113 0.000 1.183 289 P CA 0.135 63.303 63.100 0.113 0.000 0.763 289 P CB 0.261 32.010 31.700 0.081 0.000 0.807 290 R N 2.551 123.121 120.500 0.116 0.000 2.593 290 R HA 0.217 4.578 4.340 0.036 0.000 0.282 290 R C 0.435 176.758 176.300 0.039 0.000 1.300 290 R CA 0.166 56.313 56.100 0.078 0.000 1.221 290 R CB -0.383 29.969 30.300 0.087 0.000 1.157 290 R HN 0.566 nan 8.270 nan 0.000 0.555 291 S N 1.096 116.812 115.700 0.027 0.000 2.684 291 S HA -0.087 4.404 4.470 0.036 0.000 0.268 291 S C 1.475 176.076 174.600 0.003 0.000 1.075 291 S CA -0.579 57.631 58.200 0.017 0.000 1.184 291 S CB 0.293 63.507 63.200 0.024 0.000 1.129 291 S HN 0.562 nan 8.310 nan 0.000 0.630 292 Q N 2.522 122.320 119.800 -0.004 0.000 2.170 292 Q HA 0.115 4.477 4.340 0.036 0.000 0.203 292 Q C 1.365 177.346 176.000 -0.032 0.000 0.976 292 Q CA 1.833 57.627 55.803 -0.015 0.000 0.858 292 Q CB -0.790 27.939 28.738 -0.015 0.000 0.907 292 Q HN 0.704 nan 8.270 nan 0.000 0.433 293 A N 0.446 123.242 122.820 -0.040 0.000 2.545 293 A HA 0.417 4.758 4.320 0.036 0.000 0.277 293 A C 1.306 178.873 177.584 -0.028 0.000 1.301 293 A CA -0.399 51.606 52.037 -0.053 0.000 0.935 293 A CB -0.110 18.840 19.000 -0.083 0.000 1.093 293 A HN 0.276 nan 8.150 nan 0.000 0.519 294 L N -1.318 119.895 121.223 -0.016 0.000 2.640 294 L HA 0.147 4.509 4.340 0.036 0.000 0.230 294 L C 0.407 177.270 176.870 -0.011 0.000 1.123 294 L CA -0.008 54.830 54.840 -0.004 0.000 0.900 294 L CB -0.147 41.914 42.059 0.004 0.000 1.146 294 L HN 0.509 nan 8.230 nan 0.000 0.484 295 Q N 0.455 120.242 119.800 -0.021 0.000 2.439 295 Q HA -0.221 4.140 4.340 0.036 0.000 0.325 295 Q C 1.012 177.005 176.000 -0.011 0.000 1.372 295 Q CA 0.107 55.897 55.803 -0.022 0.000 0.909 295 Q CB -1.344 27.378 28.738 -0.026 0.000 1.167 295 Q HN 0.550 nan 8.270 nan 0.000 0.418 296 L N -0.000 121.218 121.223 -0.008 0.000 2.217 296 L HA -0.170 4.191 4.340 0.036 0.000 0.211 296 L C 2.299 179.166 176.870 -0.005 0.000 1.107 296 L CA 1.338 56.176 54.840 -0.005 0.000 0.783 296 L CB -0.399 41.658 42.059 -0.002 0.000 0.919 296 L HN 0.507 nan 8.230 nan 0.000 0.442 297 D N 0.594 120.991 120.400 -0.006 0.000 2.104 297 D HA -0.262 4.399 4.640 0.036 0.000 0.194 297 D C 1.748 178.047 176.300 -0.003 0.000 0.994 297 D CA 1.338 55.335 54.000 -0.005 0.000 0.830 297 D CB -0.344 40.452 40.800 -0.006 0.000 0.959 297 D HN 0.304 nan 8.370 nan 0.000 0.452 298 K N 0.758 121.156 120.400 -0.004 0.000 2.044 298 K HA -0.099 4.243 4.320 0.036 0.000 0.210 298 K C 2.286 178.888 176.600 0.003 0.000 1.049 298 K CA 1.619 57.906 56.287 -0.000 0.000 0.927 298 K CB -0.228 32.271 32.500 -0.002 0.000 0.713 298 K HN 0.223 nan 8.250 nan 0.000 0.443 299 A N 0.157 122.978 122.820 0.002 0.000 2.169 299 A HA 0.164 4.505 4.320 0.036 0.000 0.212 299 A C 1.105 178.689 177.584 -0.000 0.000 1.153 299 A CA 0.860 52.899 52.037 0.003 0.000 0.756 299 A CB -0.086 18.915 19.000 0.000 0.000 0.813 299 A HN 0.430 nan 8.150 nan 0.000 0.471 300 G N -0.632 108.167 108.800 -0.002 0.000 2.326 300 G HA2 -0.100 3.881 3.960 0.036 0.000 0.286 300 G HA3 -0.100 3.881 3.960 0.036 0.000 0.286 300 G C -0.224 174.671 174.900 -0.008 0.000 1.096 300 G CA 0.084 45.181 45.100 -0.003 0.000 1.003 300 G HN 0.858 nan 8.290 nan 0.000 0.503 301 V N 0.601 120.510 119.914 -0.008 0.000 2.370 301 V HA 0.455 4.596 4.120 0.036 0.000 0.279 301 V C 1.061 177.150 176.094 -0.008 0.000 1.029 301 V CA -0.835 61.458 62.300 -0.012 0.000 0.870 301 V CB 1.463 33.280 31.823 -0.011 0.000 0.984 301 V HN 0.493 nan 8.190 nan 0.000 0.451 302 R N 2.802 123.296 120.500 -0.010 0.000 2.347 302 R HA 0.393 4.754 4.340 0.036 0.000 0.304 302 R C 0.243 176.541 176.300 -0.003 0.000 1.072 302 R CA -0.008 56.088 56.100 -0.006 0.000 0.980 302 R CB 0.699 30.994 30.300 -0.008 0.000 0.986 302 R HN 0.894 nan 8.270 nan 0.000 0.448 303 T N 0.071 114.626 114.554 0.001 0.000 2.809 303 T HA 0.419 4.791 4.350 0.036 0.000 0.296 303 T C 0.830 175.535 174.700 0.008 0.000 1.015 303 T CA -0.866 61.238 62.100 0.006 0.000 0.954 303 T CB 1.827 70.701 68.868 0.009 0.000 0.950 303 T HN 0.574 nan 8.240 nan 0.000 0.450 304 G N 2.770 111.576 108.800 0.009 0.000 3.078 304 G HA2 0.229 4.210 3.960 0.036 0.000 0.163 304 G HA3 0.229 4.210 3.960 0.036 0.000 0.163 304 G C -0.157 174.752 174.900 0.015 0.000 1.894 304 G CA -0.819 44.287 45.100 0.010 0.000 0.951 304 G HN 0.777 nan 8.290 nan 0.000 0.446 305 K N 1.540 121.950 120.400 0.018 0.000 2.378 305 K HA 0.156 4.497 4.320 0.036 0.000 0.288 305 K C -0.376 176.243 176.600 0.031 0.000 1.057 305 K CA 0.283 56.584 56.287 0.023 0.000 0.971 305 K CB 0.340 32.854 32.500 0.023 0.000 0.975 305 K HN 0.402 nan 8.250 nan 0.000 0.475 306 N N 2.070 120.790 118.700 0.033 0.000 2.741 306 N HA -0.199 4.562 4.740 0.036 0.000 0.251 306 N C 0.586 176.122 175.510 0.043 0.000 1.112 306 N CA 1.312 54.387 53.050 0.042 0.000 0.750 306 N CB -1.486 37.032 38.487 0.051 0.000 1.119 306 N HN 1.041 nan 8.380 nan 0.000 0.561 307 G N -2.304 106.516 108.800 0.033 0.000 2.175 307 G HA2 -0.071 3.911 3.960 0.036 0.000 0.244 307 G HA3 -0.071 3.911 3.960 0.036 0.000 0.244 307 G C 0.293 175.212 174.900 0.032 0.000 0.982 307 G CA 0.519 45.637 45.100 0.030 0.000 0.641 307 G HN 1.317 nan 8.290 nan 0.000 0.527 308 A N 0.395 123.235 122.820 0.033 0.000 2.524 308 A HA 0.560 4.902 4.320 0.036 0.000 0.250 308 A C 1.095 178.692 177.584 0.022 0.000 1.078 308 A CA 0.522 52.579 52.037 0.033 0.000 0.761 308 A CB 0.226 19.246 19.000 0.032 0.000 1.012 308 A HN 1.832 nan 8.150 nan 0.000 0.500 309 V N 2.225 122.152 119.914 0.021 0.000 2.479 309 V HA 0.203 4.345 4.120 0.036 0.000 0.281 309 V C 0.176 176.273 176.094 0.005 0.000 1.031 309 V CA -0.444 61.863 62.300 0.011 0.000 1.038 309 V CB -0.315 31.514 31.823 0.010 0.000 0.981 309 V HN 0.842 nan 8.190 nan 0.000 0.478 310 Q N 3.699 123.497 119.800 -0.003 0.000 2.296 310 Q HA 0.602 4.963 4.340 0.036 0.000 0.262 310 Q C -0.226 175.764 176.000 -0.016 0.000 0.981 310 Q CA -0.318 55.480 55.803 -0.008 0.000 0.905 310 Q CB 1.661 30.393 28.738 -0.009 0.000 1.186 310 Q HN 0.983 nan 8.270 nan 0.000 0.399 311 V N -1.176 118.730 119.914 -0.014 0.000 3.049 311 V HA 0.498 4.639 4.120 0.036 0.000 0.309 311 V C -0.795 175.297 176.094 -0.004 0.000 1.148 311 V CA -1.373 60.920 62.300 -0.012 0.000 0.990 311 V CB 1.985 33.814 31.823 0.010 0.000 1.039 311 V HN 0.826 nan 8.190 nan 0.000 0.430 312 D N 2.579 122.989 120.400 0.016 0.000 2.478 312 D HA 0.587 5.248 4.640 0.036 0.000 0.269 312 D C 1.270 177.597 176.300 0.045 0.000 1.232 312 D CA -0.018 54.006 54.000 0.041 0.000 1.059 312 D CB 1.011 41.863 40.800 0.087 0.000 1.104 312 D HN 0.853 nan 8.370 nan 0.000 0.566 313 A N -1.201 121.628 122.820 0.015 0.000 2.234 313 A HA -0.116 4.225 4.320 0.036 0.000 0.216 313 A C 0.818 178.243 177.584 -0.264 0.000 1.167 313 A CA 0.917 52.870 52.037 -0.140 0.000 0.698 313 A CB -0.999 17.864 19.000 -0.229 0.000 0.779 313 A HN 0.599 nan 8.150 nan 0.000 0.475 314 Y N -1.833 118.531 120.300 0.107 0.000 2.612 314 Y HA 0.275 4.846 4.550 0.035 0.000 0.250 314 Y C 1.287 177.364 175.900 0.295 0.000 1.175 314 Y CA 0.247 58.456 58.100 0.182 0.000 1.205 314 Y CB 0.325 38.890 38.460 0.175 0.000 1.201 314 Y HN 0.238 nan 8.280 nan 0.000 0.532 315 S N -0.075 115.797 115.700 0.285 0.000 3.228 315 S HA -0.250 4.241 4.470 0.036 0.000 0.282 315 S C 0.498 175.171 174.600 0.121 0.000 1.286 315 S CA 0.891 59.243 58.200 0.253 0.000 1.066 315 S CB -1.069 62.331 63.200 0.332 0.000 1.277 315 S HN 0.553 nan 8.310 nan 0.000 0.661 316 K N 2.479 122.823 120.400 -0.094 0.000 2.350 316 K HA 0.315 4.656 4.320 0.036 0.000 0.279 316 K C 0.954 177.383 176.600 -0.285 0.000 1.027 316 K CA 0.565 56.494 56.287 -0.596 0.000 0.969 316 K CB 0.528 32.757 32.500 -0.451 0.000 0.954 316 K HN 0.401 nan 8.250 nan 0.000 0.474 317 T N -0.096 114.279 114.554 -0.299 0.000 2.833 317 T HA 0.054 4.425 4.350 0.036 0.000 0.292 317 T C 1.420 176.055 174.700 -0.109 0.000 1.031 317 T CA -0.004 62.012 62.100 -0.140 0.000 0.937 317 T CB 0.854 69.664 68.868 -0.096 0.000 1.256 317 T HN 0.610 nan 8.240 nan 0.000 0.551 318 S N -0.946 114.715 115.700 -0.065 0.000 2.442 318 S HA 0.022 4.513 4.470 0.036 0.000 0.236 318 S C 0.759 175.331 174.600 -0.046 0.000 1.007 318 S CA 0.047 58.219 58.200 -0.046 0.000 0.965 318 S CB -0.688 62.495 63.200 -0.028 0.000 0.773 318 S HN 0.578 nan 8.310 nan 0.000 0.504 319 V N 2.819 122.700 119.914 -0.055 0.000 2.439 319 V HA 0.242 4.383 4.120 0.036 0.000 0.282 319 V C 1.113 177.166 176.094 -0.068 0.000 1.039 319 V CA -0.619 61.653 62.300 -0.047 0.000 0.913 319 V CB 1.491 33.292 31.823 -0.036 0.000 0.983 319 V HN 0.247 nan 8.190 nan 0.000 0.460 320 D N 3.400 123.775 120.400 -0.042 0.000 2.218 320 D HA -0.137 4.524 4.640 0.036 0.000 0.204 320 D C 1.386 177.705 176.300 0.032 0.000 0.976 320 D CA 1.578 55.560 54.000 -0.029 0.000 0.853 320 D CB 0.325 41.127 40.800 0.004 0.000 0.939 320 D HN 0.794 nan 8.370 nan 0.000 0.481 321 N N 0.128 118.857 118.700 0.048 0.000 2.205 321 N HA 0.011 4.773 4.740 0.036 0.000 0.201 321 N C 0.410 176.102 175.510 0.303 0.000 1.128 321 N CA -0.109 53.053 53.050 0.186 0.000 0.867 321 N CB 0.509 38.922 38.487 -0.122 0.000 0.996 321 N HN 0.147 nan 8.380 nan 0.000 0.503 322 I N 1.102 121.747 120.570 0.124 0.000 2.392 322 I HA 0.306 4.497 4.170 0.036 0.000 0.295 322 I C -0.760 175.395 176.117 0.063 0.000 0.985 322 I CA -0.784 60.599 61.300 0.138 0.000 1.221 322 I CB 0.804 38.818 38.000 0.025 0.000 1.366 322 I HN -0.143 nan 8.210 nan 0.000 0.467 323 Y N 3.460 123.788 120.300 0.047 0.000 2.602 323 Y HA 0.797 5.367 4.550 0.035 0.000 0.342 323 Y C -0.056 175.789 175.900 -0.091 0.000 1.029 323 Y CA -0.915 57.177 58.100 -0.013 0.000 1.080 323 Y CB 2.186 40.610 38.460 -0.059 0.000 1.284 323 Y HN 0.550 nan 8.280 nan 0.000 0.485 324 A N 2.247 125.112 122.820 0.075 0.000 2.488 324 A HA 0.849 5.190 4.320 0.036 0.000 0.298 324 A C -1.412 176.186 177.584 0.024 0.000 1.044 324 A CA -0.561 51.486 52.037 0.016 0.000 0.693 324 A CB 0.896 19.907 19.000 0.017 0.000 1.272 324 A HN 0.726 nan 8.150 nan 0.000 0.402 325 I N -0.792 119.778 120.570 0.000 0.000 3.074 325 I HA 0.950 5.141 4.170 0.036 0.000 0.310 325 I C 0.550 176.692 176.117 0.043 0.000 1.153 325 I CA -0.309 61.008 61.300 0.028 0.000 0.993 325 I CB 1.991 39.992 38.000 0.003 0.000 1.237 325 I HN 1.953 nan 8.210 nan 0.000 0.443 326 G N 2.841 111.680 108.800 0.066 0.000 2.598 326 G HA2 -0.253 3.728 3.960 0.036 0.000 0.244 326 G HA3 -0.253 3.728 3.960 0.036 0.000 0.244 326 G C 0.024 174.971 174.900 0.079 0.000 1.302 326 G CA 0.611 45.753 45.100 0.070 0.000 0.903 326 G HN 0.863 nan 8.290 nan 0.000 0.575 327 D N -0.717 119.735 120.400 0.086 0.000 2.271 327 D HA -0.057 4.604 4.640 0.036 0.000 0.207 327 D C 2.390 178.744 176.300 0.091 0.000 0.983 327 D CA 1.363 55.421 54.000 0.097 0.000 0.878 327 D CB -0.175 40.694 40.800 0.115 0.000 0.920 327 D HN 0.559 nan 8.370 nan 0.000 0.479 328 V N 0.752 120.713 119.914 0.079 0.000 2.626 328 V HA -0.175 3.967 4.120 0.036 0.000 0.252 328 V C 2.218 178.346 176.094 0.056 0.000 1.067 328 V CA 2.256 64.597 62.300 0.068 0.000 1.081 328 V CB -0.545 31.311 31.823 0.055 0.000 0.686 328 V HN 0.402 nan 8.190 nan 0.000 0.468 329 T N -2.840 111.748 114.554 0.057 0.000 3.067 329 T HA -0.036 4.336 4.350 0.036 0.000 0.261 329 T C 1.204 175.932 174.700 0.046 0.000 1.110 329 T CA 0.689 62.817 62.100 0.047 0.000 1.113 329 T CB -0.438 68.460 68.868 0.050 0.000 0.917 329 T HN 0.503 nan 8.240 nan 0.000 0.499 330 N N 1.120 119.857 118.700 0.061 0.000 2.758 330 N HA -0.160 4.602 4.740 0.036 0.000 0.248 330 N C 0.231 175.773 175.510 0.053 0.000 1.076 330 N CA 0.475 53.562 53.050 0.062 0.000 0.696 330 N CB -1.040 37.480 38.487 0.054 0.000 0.979 330 N HN 0.680 nan 8.380 nan 0.000 0.550 331 R N -1.070 119.471 120.500 0.067 0.000 1.589 331 R HA 0.434 4.795 4.340 0.036 0.000 0.112 331 R C 0.165 176.525 176.300 0.100 0.000 1.790 331 R CA 0.064 56.206 56.100 0.070 0.000 1.885 331 R CB -0.075 30.272 30.300 0.079 0.000 1.244 331 R HN -0.018 nan 8.270 nan 0.000 0.571 332 V N 2.944 122.952 119.914 0.157 0.000 2.368 332 V HA 0.152 4.293 4.120 0.036 0.000 0.266 332 V C 0.313 176.452 176.094 0.076 0.000 1.045 332 V CA 0.208 62.568 62.300 0.100 0.000 0.899 332 V CB 1.027 32.904 31.823 0.091 0.000 1.006 332 V HN 0.444 nan 8.190 nan 0.000 0.470 333 M N 6.382 126.023 119.600 0.069 0.000 3.596 333 M HA 0.268 4.770 4.480 0.036 0.000 0.219 333 M C -1.121 175.219 176.300 0.066 0.000 1.471 333 M CA 0.124 55.474 55.300 0.084 0.000 1.644 333 M CB -0.313 32.358 32.600 0.117 0.000 1.083 333 M HN 0.370 nan 8.290 nan 0.000 0.579 334 L N -0.299 120.949 121.223 0.041 0.000 2.370 334 L HA 0.413 4.774 4.340 0.036 0.000 0.266 334 L C 1.265 178.155 176.870 0.034 0.000 1.002 334 L CA 0.045 54.900 54.840 0.026 0.000 0.818 334 L CB 1.878 43.931 42.059 -0.011 0.000 1.325 334 L HN 0.235 nan 8.230 nan 0.000 0.418 335 T N 1.949 116.528 114.554 0.042 0.000 2.652 335 T HA -0.078 4.293 4.350 0.036 0.000 0.267 335 T C -1.171 173.542 174.700 0.023 0.000 1.039 335 T CA 2.002 64.126 62.100 0.040 0.000 1.153 335 T CB -0.548 68.346 68.868 0.044 0.000 0.863 335 T HN 0.522 nan 8.240 nan 0.000 0.428 336 P HA 0.067 nan 4.420 nan 0.000 0.223 336 P C 1.476 178.766 177.300 -0.017 0.000 1.151 336 P CA 0.370 63.470 63.100 0.000 0.000 0.787 336 P CB -0.151 31.547 31.700 -0.003 0.000 0.788 337 V N 0.606 120.502 119.914 -0.031 0.000 2.270 337 V HA -0.237 3.905 4.120 0.036 0.000 0.245 337 V C 2.539 178.614 176.094 -0.032 0.000 1.043 337 V CA 2.306 64.563 62.300 -0.072 0.000 1.014 337 V CB -1.702 30.068 31.823 -0.088 0.000 0.645 337 V HN 0.099 nan 8.190 nan 0.000 0.447 338 A N -0.064 122.761 122.820 0.009 0.000 1.908 338 A HA -0.223 4.119 4.320 0.036 0.000 0.218 338 A C 2.189 179.795 177.584 0.037 0.000 1.181 338 A CA 2.167 54.224 52.037 0.034 0.000 0.627 338 A CB -0.648 18.378 19.000 0.044 0.000 0.818 338 A HN 0.513 nan 8.150 nan 0.000 0.445 339 I N -0.121 120.467 120.570 0.031 0.000 2.163 339 I HA -0.296 3.895 4.170 0.036 0.000 0.243 339 I C 2.585 178.730 176.117 0.047 0.000 1.085 339 I CA 1.598 62.922 61.300 0.040 0.000 1.347 339 I CB -0.459 37.558 38.000 0.029 0.000 1.044 339 I HN 0.483 nan 8.210 nan 0.000 0.408 340 N N 1.012 119.725 118.700 0.022 0.000 2.084 340 N HA -0.217 4.544 4.740 0.036 0.000 0.190 340 N C 1.764 177.302 175.510 0.046 0.000 1.030 340 N CA 1.654 54.716 53.050 0.020 0.000 0.849 340 N CB -0.008 38.463 38.487 -0.026 0.000 1.012 340 N HN 0.411 nan 8.380 nan 0.000 0.423 341 E N -0.430 119.796 120.200 0.043 0.000 2.085 341 E HA -0.142 4.230 4.350 0.036 0.000 0.194 341 E C 1.924 178.608 176.600 0.139 0.000 0.994 341 E CA 1.159 57.613 56.400 0.091 0.000 0.801 341 E CB -0.328 29.427 29.700 0.092 0.000 0.743 341 E HN 0.479 nan 8.360 nan 0.000 0.453 342 G N 0.922 109.794 108.800 0.121 0.000 2.402 342 G HA2 -0.221 3.760 3.960 0.036 0.000 0.216 342 G HA3 -0.221 3.760 3.960 0.036 0.000 0.216 342 G C 1.671 176.715 174.900 0.240 0.000 1.162 342 G CA 0.777 45.979 45.100 0.170 0.000 0.777 342 G HN 0.347 nan 8.290 nan 0.000 0.539 343 A N 1.198 124.117 122.820 0.165 0.000 1.902 343 A HA 0.277 4.618 4.320 0.036 0.000 0.217 343 A C 2.807 180.474 177.584 0.137 0.000 1.181 343 A CA 2.224 54.350 52.037 0.150 0.000 0.623 343 A CB -0.767 18.299 19.000 0.109 0.000 0.818 343 A HN 0.739 nan 8.150 nan 0.000 0.443 344 A N -0.863 122.038 122.820 0.134 0.000 1.902 344 A HA -0.033 4.308 4.320 0.036 0.000 0.217 344 A C 2.042 179.703 177.584 0.128 0.000 1.181 344 A CA 1.603 53.713 52.037 0.122 0.000 0.623 344 A CB -0.804 18.265 19.000 0.116 0.000 0.818 344 A HN 0.825 nan 8.150 nan 0.000 0.443 345 F N 1.078 121.038 119.950 0.016 0.000 2.091 345 F HA -0.220 4.329 4.527 0.037 0.000 0.299 345 F C 2.090 177.796 175.800 -0.156 0.000 1.103 345 F CA 2.291 60.238 58.000 -0.089 0.000 1.228 345 F CB -0.529 38.418 39.000 -0.089 0.000 0.984 345 F HN 0.030 nan 8.300 nan 0.000 0.477 346 V N 0.709 120.479 119.914 -0.240 0.000 2.307 346 V HA -0.277 3.864 4.120 0.036 0.000 0.245 346 V C 2.308 178.240 176.094 -0.271 0.000 1.045 346 V CA 2.301 64.435 62.300 -0.275 0.000 1.024 346 V CB -0.853 31.003 31.823 0.055 0.000 0.651 346 V HN 0.360 nan 8.190 nan 0.000 0.449 347 E N 0.020 120.157 120.200 -0.106 0.000 2.097 347 E HA -0.213 4.159 4.350 0.036 0.000 0.196 347 E C 2.254 178.768 176.600 -0.143 0.000 1.000 347 E CA 1.990 58.352 56.400 -0.063 0.000 0.804 347 E CB -0.306 29.410 29.700 0.027 0.000 0.740 347 E HN 0.628 nan 8.360 nan 0.000 0.454 348 T N 0.403 114.851 114.554 -0.177 0.000 2.639 348 T HA -0.123 4.248 4.350 0.036 0.000 0.261 348 T C 2.098 176.567 174.700 -0.386 0.000 1.053 348 T CA 1.383 63.365 62.100 -0.197 0.000 1.158 348 T CB -0.316 68.498 68.868 -0.091 0.000 0.863 348 T HN -0.028 nan 8.240 nan 0.000 0.413 349 V N 0.284 119.774 119.914 -0.707 0.000 2.323 349 V HA -0.006 4.135 4.120 0.036 0.000 0.244 349 V C 1.998 177.492 176.094 -1.000 0.000 1.041 349 V CA 1.590 63.277 62.300 -1.022 0.000 1.025 349 V CB -0.606 30.163 31.823 -1.758 0.000 0.656 349 V HN 0.402 nan 8.190 nan 0.000 0.451 350 F N 0.450 120.024 119.950 -0.627 0.000 2.678 350 F HA 0.341 4.889 4.527 0.035 0.000 0.291 350 F C 2.194 177.615 175.800 -0.632 0.000 1.123 350 F CA 0.713 58.359 58.000 -0.589 0.000 1.395 350 F CB -0.656 37.946 39.000 -0.664 0.000 1.121 350 F HN 0.149 nan 8.300 nan 0.000 0.592 351 G N -0.801 107.737 108.800 -0.438 0.000 2.683 351 G HA2 0.295 4.277 3.960 0.036 0.000 0.213 351 G HA3 0.295 4.277 3.960 0.036 0.000 0.213 351 G C 1.659 176.519 174.900 -0.067 0.000 1.142 351 G CA 0.400 45.398 45.100 -0.170 0.000 0.793 351 G HN 0.529 nan 8.290 nan 0.000 0.534 352 G N -0.020 108.699 108.800 -0.134 0.000 2.166 352 G HA2 -0.287 3.694 3.960 0.036 0.000 0.260 352 G HA3 -0.287 3.694 3.960 0.036 0.000 0.260 352 G C 0.320 175.183 174.900 -0.061 0.000 0.986 352 G CA 0.641 45.685 45.100 -0.094 0.000 0.683 352 G HN 0.563 nan 8.290 nan 0.000 0.527 353 K N 1.018 121.387 120.400 -0.051 0.000 2.562 353 K HA 0.375 4.716 4.320 0.036 0.000 0.206 353 K C -2.665 173.938 176.600 0.005 0.000 1.033 353 K CA -1.870 54.410 56.287 -0.011 0.000 1.029 353 K CB 1.934 34.443 32.500 0.016 0.000 1.393 353 K HN 0.073 nan 8.250 nan 0.000 0.539 354 P HA -0.003 nan 4.420 nan 0.000 0.266 354 P C -0.807 176.625 177.300 0.220 0.000 1.193 354 P CA -0.005 63.142 63.100 0.078 0.000 0.770 354 P CB 0.566 32.244 31.700 -0.036 0.000 0.836 355 R N 1.513 122.218 120.500 0.342 0.000 2.566 355 R HA 0.688 5.049 4.340 0.036 0.000 0.271 355 R C -1.678 174.659 176.300 0.061 0.000 1.071 355 R CA -0.745 55.480 56.100 0.208 0.000 0.915 355 R CB 1.494 31.857 30.300 0.105 0.000 1.228 355 R HN 0.501 nan 8.270 nan 0.000 0.449 356 A N 2.211 124.927 122.820 -0.172 0.000 2.312 356 A HA 0.509 4.850 4.320 0.036 0.000 0.326 356 A C -0.480 177.048 177.584 -0.094 0.000 1.172 356 A CA -0.469 51.363 52.037 -0.341 0.000 0.821 356 A CB 1.434 20.115 19.000 -0.532 0.000 1.166 356 A HN 0.653 nan 8.150 nan 0.000 0.493 357 T N 1.931 116.474 114.554 -0.018 0.000 2.851 357 T HA 0.146 4.517 4.350 0.036 0.000 0.298 357 T C -0.202 174.542 174.700 0.073 0.000 0.977 357 T CA 0.293 62.404 62.100 0.018 0.000 1.126 357 T CB 0.302 69.176 68.868 0.010 0.000 0.916 357 T HN 0.597 nan 8.240 nan 0.000 0.529 358 D N 1.619 122.019 120.400 -0.001 0.000 2.336 358 D HA 0.092 4.754 4.640 0.036 0.000 0.249 358 D C 0.547 176.836 176.300 -0.018 0.000 1.213 358 D CA -0.113 53.904 54.000 0.027 0.000 0.870 358 D CB 0.584 41.385 40.800 0.001 0.000 1.076 358 D HN 0.548 nan 8.370 nan 0.000 0.483 359 H N 0.605 119.663 119.070 -0.019 0.000 2.553 359 H HA 0.102 4.679 4.556 0.035 0.000 0.265 359 H C 0.511 175.830 175.328 -0.016 0.000 0.964 359 H CA 0.349 56.388 56.048 -0.016 0.000 1.156 359 H CB 0.456 30.209 29.762 -0.015 0.000 1.411 359 H HN 0.296 nan 8.280 nan 0.000 0.558 360 T N -1.427 113.177 114.554 0.083 0.000 2.928 360 T HA 0.264 4.635 4.350 0.036 0.000 0.284 360 T C 0.351 175.058 174.700 0.012 0.000 1.008 360 T CA -1.023 61.103 62.100 0.043 0.000 1.057 360 T CB 1.612 70.506 68.868 0.042 0.000 1.018 360 T HN 0.219 nan 8.240 nan 0.000 0.493 361 K N -0.175 120.225 120.400 -0.000 0.000 3.069 361 K HA -0.114 4.228 4.320 0.036 0.000 0.267 361 K C -0.502 176.083 176.600 -0.024 0.000 1.082 361 K CA 0.195 56.473 56.287 -0.016 0.000 0.782 361 K CB -1.912 30.581 32.500 -0.010 0.000 1.230 361 K HN 0.551 nan 8.250 nan 0.000 0.488 362 V N 1.107 121.003 119.914 -0.030 0.000 2.432 362 V HA 0.357 4.498 4.120 0.036 0.000 0.271 362 V C 0.836 176.904 176.094 -0.044 0.000 1.046 362 V CA -0.108 62.167 62.300 -0.041 0.000 0.945 362 V CB 1.274 33.064 31.823 -0.055 0.000 0.992 362 V HN 0.371 nan 8.190 nan 0.000 0.471 363 A N 5.218 128.015 122.820 -0.038 0.000 2.354 363 A HA 0.667 5.008 4.320 0.036 0.000 0.269 363 A C 0.199 177.761 177.584 -0.036 0.000 1.109 363 A CA -0.138 51.877 52.037 -0.038 0.000 0.800 363 A CB 0.340 19.323 19.000 -0.029 0.000 1.045 363 A HN 1.312 nan 8.150 nan 0.000 0.489 364 C N -0.147 119.131 119.300 -0.037 0.000 3.285 364 C HA 1.001 5.482 4.460 0.036 0.000 0.320 364 C C -0.042 174.923 174.990 -0.041 0.000 1.411 364 C CA -0.107 58.890 59.018 -0.036 0.000 1.429 364 C CB 1.029 28.735 27.740 -0.056 0.000 1.812 364 C HN 1.801 nan 8.230 nan 0.000 0.454 365 A N 0.354 123.129 122.820 -0.075 0.000 2.498 365 A HA 0.848 5.189 4.320 0.036 0.000 0.298 365 A C -1.312 176.157 177.584 -0.191 0.000 1.075 365 A CA -0.497 51.417 52.037 -0.205 0.000 0.714 365 A CB 1.481 20.206 19.000 -0.459 0.000 1.299 365 A HN 1.586 nan 8.150 nan 0.000 0.407 366 V N 1.327 121.091 119.914 -0.249 0.000 2.378 366 V HA 0.327 4.469 4.120 0.036 0.000 0.288 366 V C -0.801 175.142 176.094 -0.251 0.000 1.016 366 V CA -0.035 62.182 62.300 -0.138 0.000 0.840 366 V CB 0.838 32.558 31.823 -0.171 0.000 0.994 366 V HN 0.759 nan 8.190 nan 0.000 0.431 367 F N 3.181 123.138 119.950 0.011 0.000 2.913 367 F HA 0.184 4.732 4.527 0.035 0.000 0.306 367 F C 1.579 177.343 175.800 -0.060 0.000 1.205 367 F CA -0.217 57.764 58.000 -0.031 0.000 1.359 367 F CB -0.125 38.856 39.000 -0.032 0.000 1.260 367 F HN 0.592 nan 8.300 nan 0.000 0.545 368 S N -0.222 115.483 115.700 0.008 0.000 2.626 368 S HA 0.540 5.031 4.470 0.036 0.000 0.257 368 S C -0.181 174.404 174.600 -0.026 0.000 1.288 368 S CA -0.601 57.584 58.200 -0.025 0.000 0.980 368 S CB 1.207 64.360 63.200 -0.078 0.000 0.975 368 S HN 0.228 nan 8.310 nan 0.000 0.577 369 I N 2.085 122.637 120.570 -0.029 0.000 2.420 369 I HA 0.354 4.546 4.170 0.036 0.000 0.282 369 I C -2.319 173.777 176.117 -0.035 0.000 1.019 369 I CA -2.156 59.128 61.300 -0.026 0.000 1.130 369 I CB 1.825 39.821 38.000 -0.006 0.000 1.262 369 I HN 0.505 nan 8.210 nan 0.000 0.454 370 P HA 0.335 nan 4.420 nan 0.000 0.276 370 P C -2.731 174.494 177.300 -0.125 0.000 1.244 370 P CA -1.725 61.317 63.100 -0.096 0.000 0.801 370 P CB 0.237 31.855 31.700 -0.138 0.000 1.006 371 P HA 0.315 nan 4.420 nan 0.000 0.276 371 P C -0.373 176.780 177.300 -0.247 0.000 1.244 371 P CA -0.122 62.857 63.100 -0.201 0.000 0.801 371 P CB 0.814 32.378 31.700 -0.227 0.000 1.006 372 I N 0.500 120.909 120.570 -0.268 0.000 2.412 372 I HA 0.504 4.695 4.170 0.036 0.000 0.296 372 I C 0.837 176.838 176.117 -0.194 0.000 0.987 372 I CA -0.440 60.729 61.300 -0.218 0.000 1.180 372 I CB 1.803 39.680 38.000 -0.206 0.000 1.340 372 I HN 0.342 nan 8.210 nan 0.000 0.455 373 G N 2.913 111.639 108.800 -0.124 0.000 2.574 373 G HA2 0.559 4.541 3.960 0.036 0.000 0.306 373 G HA3 0.559 4.541 3.960 0.036 0.000 0.306 373 G C -0.940 173.959 174.900 -0.002 0.000 1.334 373 G CA -0.305 44.749 45.100 -0.077 0.000 0.954 373 G HN 0.488 nan 8.290 nan 0.000 0.500 374 T N -0.076 114.492 114.554 0.023 0.000 2.912 374 T HA 0.563 4.935 4.350 0.036 0.000 0.299 374 T C -1.299 173.375 174.700 -0.043 0.000 1.052 374 T CA -0.575 61.545 62.100 0.034 0.000 0.996 374 T CB 1.556 70.550 68.868 0.210 0.000 1.070 374 T HN 1.009 nan 8.240 nan 0.000 0.465 375 C N 3.864 123.085 119.300 -0.131 0.000 2.705 375 C HA 0.852 5.333 4.460 0.036 0.000 0.369 375 C C 0.568 175.458 174.990 -0.165 0.000 1.069 375 C CA 1.059 60.009 59.018 -0.114 0.000 1.260 375 C CB -0.163 27.532 27.740 -0.075 0.000 1.764 375 C HN 1.675 nan 8.230 nan 0.000 0.469 376 G N 5.751 114.491 108.800 -0.099 0.000 2.378 376 G HA2 0.017 3.998 3.960 0.036 0.000 0.198 376 G HA3 0.017 3.998 3.960 0.036 0.000 0.198 376 G C -0.830 174.069 174.900 -0.001 0.000 1.223 376 G CA -0.294 44.764 45.100 -0.072 0.000 1.088 376 G HN 0.906 nan 8.290 nan 0.000 0.530 377 M N 1.732 121.347 119.600 0.025 0.000 2.277 377 M HA 0.472 4.973 4.480 0.036 0.000 0.350 377 M C 1.184 177.595 176.300 0.186 0.000 1.180 377 M CA -0.116 55.224 55.300 0.066 0.000 1.103 377 M CB 1.560 34.166 32.600 0.010 0.000 1.577 377 M HN 0.906 nan 8.290 nan 0.000 0.459 378 T N -1.578 113.014 114.554 0.064 0.000 2.899 378 T HA 0.130 4.502 4.350 0.036 0.000 0.295 378 T C 1.068 175.737 174.700 -0.051 0.000 1.033 378 T CA -0.633 61.427 62.100 -0.066 0.000 1.084 378 T CB 0.683 69.473 68.868 -0.129 0.000 0.979 378 T HN 0.833 nan 8.240 nan 0.000 0.532 379 E N 1.252 121.411 120.200 -0.068 0.000 2.097 379 E HA -0.297 4.075 4.350 0.036 0.000 0.196 379 E C 1.509 177.942 176.600 -0.279 0.000 1.000 379 E CA 1.533 57.864 56.400 -0.115 0.000 0.804 379 E CB -0.371 29.344 29.700 0.025 0.000 0.740 379 E HN 0.774 nan 8.360 nan 0.000 0.454 380 E N 1.098 121.187 120.200 -0.185 0.000 2.085 380 E HA -0.209 4.162 4.350 0.036 0.000 0.194 380 E C 1.981 178.497 176.600 -0.140 0.000 0.994 380 E CA 1.609 57.904 56.400 -0.176 0.000 0.801 380 E CB -0.106 29.553 29.700 -0.068 0.000 0.743 380 E HN 0.481 nan 8.360 nan 0.000 0.453 381 E N -0.060 120.087 120.200 -0.088 0.000 2.028 381 E HA -0.120 4.252 4.350 0.036 0.000 0.190 381 E C 2.065 178.653 176.600 -0.019 0.000 0.984 381 E CA 0.818 57.194 56.400 -0.040 0.000 0.800 381 E CB -0.123 29.567 29.700 -0.017 0.000 0.758 381 E HN 0.223 nan 8.360 nan 0.000 0.448 382 A N 1.426 124.223 122.820 -0.039 0.000 1.948 382 A HA -0.192 4.149 4.320 0.036 0.000 0.220 382 A C 2.369 179.962 177.584 0.016 0.000 1.177 382 A CA 2.055 54.084 52.037 -0.014 0.000 0.636 382 A CB -0.782 18.149 19.000 -0.115 0.000 0.815 382 A HN 0.414 nan 8.150 nan 0.000 0.449 383 A N -0.572 122.161 122.820 -0.146 0.000 2.015 383 A HA -0.116 4.225 4.320 0.036 0.000 0.219 383 A C 2.054 179.629 177.584 -0.014 0.000 1.163 383 A CA 1.700 53.640 52.037 -0.160 0.000 0.646 383 A CB -0.323 18.327 19.000 -0.584 0.000 0.806 383 A HN 0.584 nan 8.150 nan 0.000 0.448 384 K N -0.801 119.594 120.400 -0.008 0.000 2.243 384 K HA 0.004 4.345 4.320 0.036 0.000 0.201 384 K C 0.659 177.285 176.600 0.044 0.000 1.051 384 K CA 1.181 57.479 56.287 0.020 0.000 0.970 384 K CB -0.002 32.501 32.500 0.005 0.000 0.755 384 K HN 0.395 nan 8.250 nan 0.000 0.465 385 N N -0.941 117.818 118.700 0.098 0.000 2.205 385 N HA 0.093 4.854 4.740 0.036 0.000 0.201 385 N C -0.968 174.515 175.510 -0.045 0.000 1.128 385 N CA 0.168 53.250 53.050 0.054 0.000 0.867 385 N CB 0.568 39.116 38.487 0.102 0.000 0.996 385 N HN 0.044 nan 8.380 nan 0.000 0.503 386 Y N 0.335 120.639 120.300 0.007 0.000 2.512 386 Y HA 0.187 4.758 4.550 0.035 0.000 0.348 386 Y C 1.285 177.208 175.900 0.038 0.000 0.990 386 Y CA -1.074 57.039 58.100 0.022 0.000 1.033 386 Y CB 1.637 40.113 38.460 0.027 0.000 1.259 386 Y HN -0.118 nan 8.280 nan 0.000 0.461 387 E N 0.123 120.423 120.200 0.167 0.000 2.017 387 E HA -0.070 4.302 4.350 0.036 0.000 0.193 387 E C -0.397 176.293 176.600 0.150 0.000 0.997 387 E CA 1.292 57.764 56.400 0.120 0.000 0.804 387 E CB -0.418 29.328 29.700 0.078 0.000 0.757 387 E HN 0.509 nan 8.360 nan 0.000 0.448 388 T N 1.691 116.351 114.554 0.176 0.000 2.840 388 T HA 0.550 4.922 4.350 0.036 0.000 0.287 388 T C -0.664 174.158 174.700 0.204 0.000 0.991 388 T CA -0.739 61.464 62.100 0.173 0.000 0.964 388 T CB 2.278 71.213 68.868 0.112 0.000 0.954 388 T HN -0.009 nan 8.240 nan 0.000 0.438 389 V N 2.237 122.301 119.914 0.251 0.000 2.487 389 V HA 0.811 4.952 4.120 0.036 0.000 0.298 389 V C 0.003 176.253 176.094 0.260 0.000 1.028 389 V CA -0.991 61.435 62.300 0.211 0.000 0.860 389 V CB 1.597 33.528 31.823 0.181 0.000 0.991 389 V HN 1.110 nan 8.190 nan 0.000 0.427 390 A N 4.546 127.447 122.820 0.134 0.000 2.304 390 A HA 0.821 5.162 4.320 0.036 0.000 0.323 390 A C -0.643 176.784 177.584 -0.262 0.000 1.195 390 A CA -0.510 51.441 52.037 -0.144 0.000 0.826 390 A CB 1.262 20.203 19.000 -0.098 0.000 1.184 390 A HN 0.685 nan 8.150 nan 0.000 0.496 391 V N 3.523 123.084 119.914 -0.588 0.000 2.370 391 V HA 0.320 4.461 4.120 0.036 0.000 0.283 391 V C -1.068 174.670 176.094 -0.593 0.000 1.023 391 V CA -0.282 61.707 62.300 -0.519 0.000 0.857 391 V CB 0.392 31.704 31.823 -0.852 0.000 0.985 391 V HN 0.748 nan 8.190 nan 0.000 0.443 392 Y N 2.783 122.945 120.300 -0.230 0.000 2.342 392 Y HA 0.771 5.343 4.550 0.035 0.000 0.334 392 Y C 0.407 176.277 175.900 -0.051 0.000 1.067 392 Y CA -0.584 57.437 58.100 -0.131 0.000 1.128 392 Y CB 1.944 40.371 38.460 -0.054 0.000 1.200 392 Y HN 0.714 nan 8.280 nan 0.000 0.464 393 A N 1.840 124.733 122.820 0.122 0.000 2.455 393 A HA 0.740 5.081 4.320 0.036 0.000 0.300 393 A C -1.044 176.633 177.584 0.155 0.000 1.040 393 A CA -0.641 51.477 52.037 0.134 0.000 0.697 393 A CB 1.744 20.809 19.000 0.109 0.000 1.265 393 A HN 0.550 nan 8.150 nan 0.000 0.407 394 S N 1.131 116.947 115.700 0.195 0.000 2.668 394 S HA 0.674 5.166 4.470 0.036 0.000 0.277 394 S C -0.917 173.874 174.600 0.318 0.000 1.170 394 S CA -0.231 58.107 58.200 0.230 0.000 0.994 394 S CB 1.134 64.465 63.200 0.217 0.000 1.051 394 S HN 0.904 nan 8.310 nan 0.000 0.484 395 S N 3.743 119.612 115.700 0.282 0.000 2.501 395 S HA 0.939 5.430 4.470 0.036 0.000 0.301 395 S C -1.085 173.750 174.600 0.392 0.000 1.096 395 S CA -0.558 57.803 58.200 0.268 0.000 1.063 395 S CB 0.737 64.017 63.200 0.133 0.000 1.042 395 S HN 0.723 nan 8.310 nan 0.000 0.494 396 F N -1.085 118.942 119.950 0.129 0.000 2.678 396 F HA 0.617 5.166 4.527 0.036 0.000 0.308 396 F C -0.897 174.979 175.800 0.127 0.000 1.118 396 F CA -0.877 57.188 58.000 0.108 0.000 0.959 396 F CB 0.728 39.781 39.000 0.088 0.000 1.305 396 F HN 0.278 nan 8.300 nan 0.000 0.443 397 T N 3.316 117.958 114.554 0.148 0.000 2.770 397 T HA 0.496 4.868 4.350 0.036 0.000 0.297 397 T C -2.659 172.157 174.700 0.193 0.000 0.997 397 T CA -1.147 61.005 62.100 0.088 0.000 0.949 397 T CB 0.982 69.902 68.868 0.087 0.000 0.941 397 T HN 0.369 nan 8.240 nan 0.000 0.457 398 P HA 0.107 nan 4.420 nan 0.000 0.265 398 P C 0.910 178.276 177.300 0.111 0.000 1.187 398 P CA -0.115 63.088 63.100 0.172 0.000 0.766 398 P CB 0.582 32.335 31.700 0.089 0.000 0.820 399 L N 2.219 123.491 121.223 0.080 0.000 2.131 399 L HA -0.207 4.155 4.340 0.036 0.000 0.210 399 L C 2.281 179.172 176.870 0.036 0.000 1.092 399 L CA 1.496 56.373 54.840 0.062 0.000 0.759 399 L CB -0.695 41.395 42.059 0.052 0.000 0.903 399 L HN 0.513 nan 8.230 nan 0.000 0.435 400 M N -2.013 117.580 119.600 -0.011 0.000 2.346 400 M HA -0.195 4.307 4.480 0.036 0.000 0.263 400 M C 1.633 177.928 176.300 -0.008 0.000 1.064 400 M CA 1.724 57.039 55.300 0.025 0.000 1.083 400 M CB -0.728 31.860 32.600 -0.021 0.000 1.399 400 M HN 0.142 nan 8.290 nan 0.000 0.435 401 H N 0.901 120.029 119.070 0.096 0.000 2.547 401 H HA 0.170 4.748 4.556 0.036 0.000 0.266 401 H C 1.232 176.578 175.328 0.030 0.000 0.988 401 H CA 0.488 56.572 56.048 0.060 0.000 1.147 401 H CB -0.360 29.414 29.762 0.020 0.000 1.365 401 H HN 0.583 nan 8.280 nan 0.000 0.589 402 N N 0.654 119.415 118.700 0.102 0.000 2.171 402 N HA -0.062 4.699 4.740 0.036 0.000 0.184 402 N C 1.998 177.495 175.510 -0.023 0.000 1.021 402 N CA 0.668 53.742 53.050 0.040 0.000 0.854 402 N CB 0.183 38.683 38.487 0.022 0.000 0.994 402 N HN 0.371 nan 8.380 nan 0.000 0.426 403 I N 0.769 121.278 120.570 -0.102 0.000 2.277 403 I HA -0.163 4.028 4.170 0.036 0.000 0.243 403 I C 2.483 178.453 176.117 -0.246 0.000 1.094 403 I CA 0.808 61.923 61.300 -0.307 0.000 1.393 403 I CB -0.338 37.238 38.000 -0.707 0.000 1.078 403 I HN 0.110 nan 8.210 nan 0.000 0.417 404 S N 0.582 116.264 115.700 -0.030 0.000 2.402 404 S HA -0.040 4.452 4.470 0.036 0.000 0.229 404 S C 1.870 176.563 174.600 0.154 0.000 1.021 404 S CA 1.226 59.541 58.200 0.193 0.000 0.974 404 S CB -0.119 63.329 63.200 0.414 0.000 0.800 404 S HN 0.654 nan 8.310 nan 0.000 0.484 405 G N 0.133 109.007 108.800 0.124 0.000 2.258 405 G HA2 -0.233 3.748 3.960 0.036 0.000 0.233 405 G HA3 -0.233 3.748 3.960 0.036 0.000 0.233 405 G C 0.486 175.465 174.900 0.133 0.000 1.006 405 G CA 0.169 45.331 45.100 0.103 0.000 0.620 405 G HN 0.752 nan 8.290 nan 0.000 0.511 406 S N 1.391 117.183 115.700 0.154 0.000 4.085 406 S HA 0.259 4.750 4.470 0.036 0.000 0.189 406 S C 1.430 175.957 174.600 -0.121 0.000 1.392 406 S CA 0.445 58.681 58.200 0.059 0.000 0.972 406 S CB 0.361 63.482 63.200 -0.132 0.000 1.482 406 S HN 0.568 nan 8.310 nan 0.000 0.446 407 K N 1.179 121.621 120.400 0.070 0.000 2.442 407 K HA -0.089 4.252 4.320 0.036 0.000 0.198 407 K C 1.813 178.412 176.600 -0.002 0.000 1.042 407 K CA 0.713 57.020 56.287 0.034 0.000 0.958 407 K CB -0.100 32.441 32.500 0.070 0.000 0.766 407 K HN 0.666 nan 8.250 nan 0.000 0.474 408 H N -0.021 118.995 119.070 -0.090 0.000 2.529 408 H HA 0.075 4.652 4.556 0.035 0.000 0.277 408 H C 0.097 175.346 175.328 -0.132 0.000 0.999 408 H CA 0.385 56.379 56.048 -0.089 0.000 1.256 408 H CB -0.045 29.672 29.762 -0.075 0.000 1.402 408 H HN -0.073 nan 8.280 nan 0.000 0.566 409 K N 2.337 122.314 120.400 -0.705 0.000 2.278 409 K HA 0.076 4.417 4.320 0.036 0.000 0.237 409 K C -0.217 176.193 176.600 -0.316 0.000 1.229 409 K CA -0.073 55.839 56.287 -0.626 0.000 1.155 409 K CB 0.330 32.269 32.500 -0.935 0.000 1.590 409 K HN 0.357 nan 8.250 nan 0.000 0.290 410 E N 1.205 121.280 120.200 -0.208 0.000 2.344 410 E HA 0.010 4.381 4.350 0.036 0.000 0.270 410 E C -0.744 175.730 176.600 -0.210 0.000 1.021 410 E CA -0.134 56.169 56.400 -0.162 0.000 0.887 410 E CB 0.557 30.195 29.700 -0.103 0.000 0.997 410 E HN 0.192 nan 8.360 nan 0.000 0.429 411 F N 3.691 123.338 119.950 -0.505 0.000 2.410 411 F HA 0.265 4.814 4.527 0.036 0.000 0.348 411 F C -0.038 175.502 175.800 -0.432 0.000 1.106 411 F CA -0.226 57.431 58.000 -0.570 0.000 1.163 411 F CB 0.711 39.130 39.000 -0.967 0.000 1.129 411 F HN 0.333 nan 8.300 nan 0.000 0.516 412 M N 7.687 127.121 119.600 -0.277 0.000 2.259 412 M HA 0.568 5.069 4.480 0.036 0.000 0.304 412 M C -1.894 174.463 176.300 0.095 0.000 1.019 412 M CA -0.380 54.912 55.300 -0.013 0.000 0.922 412 M CB 1.284 33.844 32.600 -0.067 0.000 1.600 412 M HN 0.520 nan 8.290 nan 0.000 0.433 413 I N 4.602 125.340 120.570 0.280 0.000 2.465 413 I HA 0.524 4.715 4.170 0.036 0.000 0.291 413 I C -0.716 175.531 176.117 0.218 0.000 1.014 413 I CA -0.743 60.719 61.300 0.272 0.000 1.093 413 I CB 2.054 40.264 38.000 0.351 0.000 1.267 413 I HN 0.665 nan 8.210 nan 0.000 0.431 414 R N 6.870 127.493 120.500 0.205 0.000 2.483 414 R HA 0.621 4.982 4.340 0.036 0.000 0.303 414 R C -1.291 175.139 176.300 0.217 0.000 0.987 414 R CA -0.670 55.555 56.100 0.208 0.000 0.881 414 R CB 2.103 32.523 30.300 0.201 0.000 1.177 414 R HN 0.533 nan 8.270 nan 0.000 0.451 415 I N 4.355 125.036 120.570 0.185 0.000 2.336 415 I HA 0.366 4.557 4.170 0.036 0.000 0.292 415 I C 0.009 176.212 176.117 0.143 0.000 0.991 415 I CA -0.873 60.496 61.300 0.116 0.000 1.227 415 I CB 1.358 39.361 38.000 0.006 0.000 1.366 415 I HN 0.339 nan 8.210 nan 0.000 0.466 416 I N 5.508 126.125 120.570 0.079 0.000 2.339 416 I HA 0.365 4.556 4.170 0.036 0.000 0.290 416 I C 0.332 176.434 176.117 -0.025 0.000 0.994 416 I CA -0.264 61.069 61.300 0.055 0.000 1.191 416 I CB 1.237 39.279 38.000 0.070 0.000 1.343 416 I HN 0.589 nan 8.210 nan 0.000 0.458 417 T N 1.960 116.518 114.554 0.007 0.000 2.908 417 T HA 0.403 4.775 4.350 0.036 0.000 0.290 417 T C -0.273 174.382 174.700 -0.074 0.000 1.034 417 T CA -0.929 61.142 62.100 -0.047 0.000 1.010 417 T CB 2.109 70.999 68.868 0.036 0.000 1.068 417 T HN 0.429 nan 8.240 nan 0.000 0.481 418 N N 1.384 119.997 118.700 -0.146 0.000 2.405 418 N HA 0.095 4.856 4.740 0.036 0.000 0.260 418 N C 1.090 176.630 175.510 0.051 0.000 1.152 418 N CA -0.173 52.828 53.050 -0.082 0.000 0.948 418 N CB 0.827 39.258 38.487 -0.092 0.000 1.111 418 N HN 0.699 nan 8.380 nan 0.000 0.485 419 E N 2.300 122.569 120.200 0.115 0.000 2.153 419 E HA -0.134 4.238 4.350 0.036 0.000 0.194 419 E C 0.965 177.632 176.600 0.112 0.000 0.988 419 E CA 0.731 57.222 56.400 0.153 0.000 0.811 419 E CB 0.102 29.926 29.700 0.207 0.000 0.746 419 E HN 0.720 nan 8.360 nan 0.000 0.466 420 S N 1.678 117.441 115.700 0.104 0.000 2.369 420 S HA -0.215 4.276 4.470 0.036 0.000 0.225 420 S C 1.502 176.142 174.600 0.068 0.000 1.043 420 S CA 1.946 60.196 58.200 0.083 0.000 1.074 420 S CB -0.315 62.944 63.200 0.098 0.000 0.962 420 S HN 0.444 nan 8.310 nan 0.000 0.433 421 N N -0.480 118.260 118.700 0.066 0.000 2.171 421 N HA 0.218 4.979 4.740 0.036 0.000 0.212 421 N C 0.949 176.475 175.510 0.026 0.000 1.184 421 N CA 0.923 54.000 53.050 0.045 0.000 0.888 421 N CB 0.182 38.694 38.487 0.043 0.000 1.038 421 N HN 0.490 nan 8.380 nan 0.000 0.517 422 G N 0.501 109.318 108.800 0.029 0.000 2.176 422 G HA2 -0.317 3.664 3.960 0.036 0.000 0.253 422 G HA3 -0.317 3.664 3.960 0.036 0.000 0.253 422 G C -0.294 174.561 174.900 -0.076 0.000 0.979 422 G CA 0.238 45.338 45.100 -0.001 0.000 0.641 422 G HN 0.565 nan 8.290 nan 0.000 0.530 423 E N 0.623 120.784 120.200 -0.065 0.000 2.415 423 E HA 0.316 4.687 4.350 0.036 0.000 0.263 423 E C 0.477 176.979 176.600 -0.163 0.000 0.995 423 E CA -0.273 56.064 56.400 -0.105 0.000 0.915 423 E CB 0.611 30.281 29.700 -0.049 0.000 0.951 423 E HN 0.143 nan 8.360 nan 0.000 0.449 424 V N 7.419 127.195 119.914 -0.230 0.000 2.439 424 V HA -0.021 4.120 4.120 0.036 0.000 0.271 424 V C 1.199 177.183 176.094 -0.183 0.000 1.040 424 V CA 0.265 62.405 62.300 -0.265 0.000 1.002 424 V CB 0.664 32.230 31.823 -0.430 0.000 1.000 424 V HN 0.711 nan 8.190 nan 0.000 0.477 425 L N 4.208 125.324 121.223 -0.178 0.000 2.408 425 L HA 0.449 4.810 4.340 0.036 0.000 0.215 425 L C 1.101 177.902 176.870 -0.114 0.000 1.081 425 L CA 0.672 55.411 54.840 -0.168 0.000 0.840 425 L CB 0.067 41.960 42.059 -0.277 0.000 1.002 425 L HN 0.752 nan 8.230 nan 0.000 0.468 426 G N -0.434 108.298 108.800 -0.113 0.000 2.746 426 G HA2 0.555 4.536 3.960 0.036 0.000 0.297 426 G HA3 0.555 4.536 3.960 0.036 0.000 0.297 426 G C -1.849 172.885 174.900 -0.276 0.000 1.426 426 G CA -0.261 44.734 45.100 -0.174 0.000 0.989 426 G HN -0.272 nan 8.290 nan 0.000 0.520 427 V N 3.091 122.720 119.914 -0.475 0.000 2.531 427 V HA 0.550 4.691 4.120 0.036 0.000 0.301 427 V C -1.035 174.724 176.094 -0.560 0.000 1.034 427 V CA -0.867 61.235 62.300 -0.330 0.000 0.865 427 V CB 1.690 33.479 31.823 -0.055 0.000 0.995 427 V HN 0.798 nan 8.190 nan 0.000 0.424 428 H N 5.685 124.793 119.070 0.064 0.000 2.727 428 H HA 0.618 5.195 4.556 0.035 0.000 0.330 428 H C -0.886 174.463 175.328 0.034 0.000 0.986 428 H CA -0.511 55.568 56.048 0.052 0.000 1.251 428 H CB 1.912 31.709 29.762 0.059 0.000 1.493 428 H HN 0.486 nan 8.280 nan 0.000 0.515 429 M N 3.370 123.013 119.600 0.071 0.000 2.395 429 M HA 0.308 4.809 4.480 0.036 0.000 0.307 429 M C -1.070 175.094 176.300 -0.228 0.000 1.091 429 M CA -1.039 54.221 55.300 -0.067 0.000 0.919 429 M CB 3.105 35.692 32.600 -0.021 0.000 1.662 429 M HN 0.268 nan 8.290 nan 0.000 0.440 430 L N 2.314 123.277 121.223 -0.433 0.000 2.362 430 L HA 1.002 5.364 4.340 0.036 0.000 0.275 430 L C -0.296 176.049 176.870 -0.875 0.000 0.998 430 L CA 0.448 55.001 54.840 -0.478 0.000 0.820 430 L CB 1.905 43.785 42.059 -0.298 0.000 1.270 430 L HN 0.853 nan 8.230 nan 0.000 0.415 431 G N 2.909 111.322 108.800 -0.645 0.000 2.351 431 G HA2 0.021 4.002 3.960 0.036 0.000 0.353 431 G HA3 0.021 4.002 3.960 0.036 0.000 0.353 431 G C -1.698 173.096 174.900 -0.176 0.000 1.358 431 G CA -0.919 43.870 45.100 -0.519 0.000 0.995 431 G HN 0.607 nan 8.290 nan 0.000 0.611 432 D N 0.119 120.562 120.400 0.071 0.000 2.443 432 D HA 0.400 5.061 4.640 0.036 0.000 0.239 432 D C 1.139 177.566 176.300 0.212 0.000 1.136 432 D CA 1.573 55.639 54.000 0.110 0.000 0.879 432 D CB 1.044 41.906 40.800 0.104 0.000 1.195 432 D HN 0.881 nan 8.370 nan 0.000 0.443 433 S N 0.042 115.809 115.700 0.112 0.000 2.857 433 S HA -0.290 4.202 4.470 0.036 0.000 0.268 433 S C 1.432 176.102 174.600 0.116 0.000 1.297 433 S CA 0.775 59.040 58.200 0.108 0.000 1.280 433 S CB -1.144 62.118 63.200 0.103 0.000 1.562 433 S HN 0.729 nan 8.310 nan 0.000 0.661 434 A N 1.526 124.400 122.820 0.090 0.000 1.917 434 A HA -0.047 4.294 4.320 0.036 0.000 0.219 434 A C -0.023 177.534 177.584 -0.045 0.000 1.182 434 A CA 2.156 54.206 52.037 0.022 0.000 0.633 434 A CB -1.629 17.284 19.000 -0.145 0.000 0.819 434 A HN 0.545 nan 8.150 nan 0.000 0.448 435 P HA -0.126 nan 4.420 nan 0.000 0.218 435 P C 1.223 178.507 177.300 -0.025 0.000 1.149 435 P CA 1.150 64.156 63.100 -0.156 0.000 0.817 435 P CB 0.002 31.507 31.700 -0.324 0.000 0.785 436 E N -0.586 119.623 120.200 0.015 0.000 2.072 436 E HA -0.059 4.313 4.350 0.036 0.000 0.190 436 E C 2.139 178.748 176.600 0.015 0.000 0.982 436 E CA 0.894 57.312 56.400 0.029 0.000 0.803 436 E CB -0.671 29.051 29.700 0.036 0.000 0.755 436 E HN 0.325 nan 8.360 nan 0.000 0.453 437 I N 0.789 121.375 120.570 0.026 0.000 2.202 437 I HA -0.238 3.953 4.170 0.036 0.000 0.242 437 I C 2.483 178.599 176.117 -0.001 0.000 1.091 437 I CA 0.581 61.892 61.300 0.018 0.000 1.368 437 I CB -0.210 37.828 38.000 0.064 0.000 1.058 437 I HN 0.018 nan 8.210 nan 0.000 0.410 438 I N 0.968 121.540 120.570 0.003 0.000 2.423 438 I HA -0.315 3.876 4.170 0.036 0.000 0.254 438 I C 2.459 178.567 176.117 -0.016 0.000 1.151 438 I CA 1.523 62.816 61.300 -0.011 0.000 1.421 438 I CB -0.382 37.605 38.000 -0.022 0.000 1.079 438 I HN 0.248 nan 8.210 nan 0.000 0.431 439 Q N 0.150 119.943 119.800 -0.012 0.000 2.030 439 Q HA -0.179 4.183 4.340 0.036 0.000 0.204 439 Q C 2.242 178.233 176.000 -0.015 0.000 0.986 439 Q CA 2.564 58.361 55.803 -0.009 0.000 0.843 439 Q CB -0.485 28.253 28.738 -0.001 0.000 0.904 439 Q HN 0.483 nan 8.270 nan 0.000 0.420 440 S N -0.863 114.823 115.700 -0.022 0.000 2.481 440 S HA -0.028 4.463 4.470 0.036 0.000 0.231 440 S C 1.801 176.378 174.600 -0.039 0.000 0.996 440 S CA 0.753 58.934 58.200 -0.032 0.000 0.942 440 S CB -0.064 63.110 63.200 -0.044 0.000 0.768 440 S HN 0.246 nan 8.310 nan 0.000 0.520 441 V N 1.721 121.612 119.914 -0.038 0.000 2.358 441 V HA -0.121 4.020 4.120 0.036 0.000 0.246 441 V C 2.635 178.739 176.094 0.017 0.000 1.047 441 V CA 1.934 64.223 62.300 -0.018 0.000 1.035 441 V CB -1.394 30.423 31.823 -0.011 0.000 0.658 441 V HN 0.570 nan 8.190 nan 0.000 0.452 442 G N -0.205 108.594 108.800 -0.001 0.000 2.448 442 G HA2 -0.201 3.780 3.960 0.036 0.000 0.219 442 G HA3 -0.201 3.780 3.960 0.036 0.000 0.219 442 G C 1.543 176.444 174.900 0.002 0.000 1.127 442 G CA 0.879 45.977 45.100 -0.003 0.000 0.766 442 G HN 0.502 nan 8.290 nan 0.000 0.552 443 I N 0.276 120.846 120.570 0.001 0.000 2.202 443 I HA -0.186 4.005 4.170 0.036 0.000 0.242 443 I C 2.819 178.946 176.117 0.016 0.000 1.091 443 I CA 0.586 61.888 61.300 0.003 0.000 1.368 443 I CB -0.431 37.567 38.000 -0.004 0.000 1.058 443 I HN 0.172 nan 8.210 nan 0.000 0.410 444 C N 0.589 119.909 119.300 0.032 0.000 2.413 444 C HA -0.213 4.268 4.460 0.036 0.000 0.277 444 C C 2.957 177.984 174.990 0.062 0.000 1.228 444 C CA 1.082 60.142 59.018 0.070 0.000 1.731 444 C CB -0.833 26.998 27.740 0.151 0.000 2.042 444 C HN 0.478 nan 8.230 nan 0.000 0.468 445 M N 0.200 119.833 119.600 0.054 0.000 2.229 445 M HA -0.138 4.363 4.480 0.036 0.000 0.264 445 M C 2.207 178.510 176.300 0.005 0.000 1.063 445 M CA 1.444 56.755 55.300 0.018 0.000 1.114 445 M CB -0.437 32.165 32.600 0.005 0.000 1.387 445 M HN 0.242 nan 8.290 nan 0.000 0.420 446 K N 1.186 121.590 120.400 0.007 0.000 2.063 446 K HA -0.061 4.280 4.320 0.036 0.000 0.208 446 K C 1.457 178.061 176.600 0.007 0.000 1.048 446 K CA 1.565 57.855 56.287 0.005 0.000 0.928 446 K CB -0.157 32.345 32.500 0.003 0.000 0.713 446 K HN 0.284 nan 8.250 nan 0.000 0.442 447 M N -0.268 119.338 119.600 0.010 0.000 2.682 447 M HA 0.120 4.621 4.480 0.036 0.000 0.235 447 M C 0.500 176.803 176.300 0.005 0.000 1.114 447 M CA 0.711 56.016 55.300 0.009 0.000 1.053 447 M CB 0.035 32.643 32.600 0.013 0.000 1.599 447 M HN 0.380 nan 8.290 nan 0.000 0.520 448 G N 1.790 110.590 108.800 -0.000 0.000 2.333 448 G HA2 -0.160 3.822 3.960 0.036 0.000 0.296 448 G HA3 -0.160 3.822 3.960 0.036 0.000 0.296 448 G C 0.070 174.953 174.900 -0.029 0.000 1.059 448 G CA 0.069 45.162 45.100 -0.012 0.000 1.050 448 G HN 0.721 nan 8.290 nan 0.000 0.508 449 A N -0.240 122.560 122.820 -0.034 0.000 2.445 449 A HA 0.664 5.006 4.320 0.036 0.000 0.242 449 A C 0.719 178.198 177.584 -0.174 0.000 1.075 449 A CA 0.497 52.498 52.037 -0.060 0.000 0.777 449 A CB 0.541 19.561 19.000 0.034 0.000 1.013 449 A HN 0.589 nan 8.150 nan 0.000 0.493 450 K N 0.927 121.207 120.400 -0.200 0.000 2.221 450 K HA 0.391 4.732 4.320 0.036 0.000 0.243 450 K C 0.764 177.102 176.600 -0.436 0.000 0.968 450 K CA -0.795 55.338 56.287 -0.257 0.000 0.846 450 K CB 1.612 34.025 32.500 -0.144 0.000 1.141 450 K HN 0.533 nan 8.250 nan 0.000 0.434 451 I N 1.652 121.953 120.570 -0.448 0.000 2.335 451 I HA -0.295 3.896 4.170 0.036 0.000 0.251 451 I C 1.756 177.554 176.117 -0.532 0.000 1.129 451 I CA 1.798 62.768 61.300 -0.551 0.000 1.402 451 I CB -0.104 37.635 38.000 -0.436 0.000 1.069 451 I HN 0.720 nan 8.210 nan 0.000 0.424 452 S N -0.900 114.553 115.700 -0.411 0.000 2.447 452 S HA -0.144 4.347 4.470 0.036 0.000 0.233 452 S C 1.733 176.069 174.600 -0.440 0.000 1.006 452 S CA 1.085 58.953 58.200 -0.554 0.000 0.957 452 S CB -0.580 62.532 63.200 -0.147 0.000 0.773 452 S HN 0.495 nan 8.310 nan 0.000 0.507 453 D N 0.630 120.888 120.400 -0.237 0.000 2.224 453 D HA 0.036 4.697 4.640 0.036 0.000 0.205 453 D C 1.287 177.644 176.300 0.095 0.000 0.965 453 D CA 0.762 54.734 54.000 -0.047 0.000 0.852 453 D CB -0.145 40.674 40.800 0.032 0.000 0.947 453 D HN 0.338 nan 8.370 nan 0.000 0.494 454 F N 1.310 121.090 119.950 -0.284 0.000 2.053 454 F HA -0.091 4.457 4.527 0.035 0.000 0.292 454 F C 2.432 178.133 175.800 -0.165 0.000 1.125 454 F CA 1.035 58.912 58.000 -0.205 0.000 1.193 454 F CB -1.390 37.495 39.000 -0.193 0.000 0.996 454 F HN 0.148 nan 8.300 nan 0.000 0.470 455 H N -1.318 117.831 119.070 0.132 0.000 2.563 455 H HA 0.106 4.683 4.556 0.035 0.000 0.272 455 H C 1.659 177.002 175.328 0.025 0.000 1.005 455 H CA 0.783 56.859 56.048 0.046 0.000 1.171 455 H CB -1.000 28.776 29.762 0.023 0.000 1.351 455 H HN 0.148 nan 8.280 nan 0.000 0.602 456 S N -1.058 114.654 115.700 0.020 0.000 2.501 456 S HA 0.025 4.516 4.470 0.036 0.000 0.220 456 S C 0.735 175.348 174.600 0.022 0.000 0.997 456 S CA -0.108 58.121 58.200 0.049 0.000 0.919 456 S CB -0.346 62.856 63.200 0.003 0.000 0.778 456 S HN 0.327 nan 8.310 nan 0.000 0.523 457 T N 3.384 117.940 114.554 0.004 0.000 2.794 457 T HA 0.415 4.786 4.350 0.036 0.000 0.296 457 T C 0.128 174.818 174.700 -0.018 0.000 0.949 457 T CA -0.359 61.730 62.100 -0.018 0.000 1.101 457 T CB 0.571 69.409 68.868 -0.050 0.000 0.905 457 T HN 0.257 nan 8.240 nan 0.000 0.516 458 I N 2.923 123.481 120.570 -0.019 0.000 2.556 458 I HA 0.224 4.415 4.170 0.036 0.000 0.284 458 I C 1.452 177.550 176.117 -0.033 0.000 1.114 458 I CA -0.036 61.251 61.300 -0.022 0.000 1.418 458 I CB 0.407 38.396 38.000 -0.019 0.000 1.394 458 I HN 0.701 nan 8.210 nan 0.000 0.552 459 G N 5.510 114.288 108.800 -0.036 0.000 2.634 459 G HA2 0.416 4.398 3.960 0.036 0.000 0.255 459 G HA3 0.416 4.398 3.960 0.036 0.000 0.255 459 G C -0.517 174.373 174.900 -0.018 0.000 1.205 459 G CA -0.421 44.656 45.100 -0.038 0.000 0.884 459 G HN 0.403 nan 8.290 nan 0.000 0.549 460 V N 1.004 120.908 119.914 -0.015 0.000 2.370 460 V HA 0.354 4.496 4.120 0.036 0.000 0.283 460 V C -0.468 175.652 176.094 0.043 0.000 1.023 460 V CA -0.627 61.674 62.300 0.002 0.000 0.857 460 V CB 1.027 32.833 31.823 -0.029 0.000 0.985 460 V HN 0.854 nan 8.190 nan 0.000 0.443 461 H N 5.680 124.716 119.070 -0.056 0.000 2.538 461 H HA 0.761 5.338 4.556 0.036 0.000 0.353 461 H C -2.530 172.772 175.328 -0.043 0.000 1.109 461 H CA -1.671 54.343 56.048 -0.055 0.000 1.192 461 H CB 2.154 31.885 29.762 -0.052 0.000 1.555 461 H HN 0.561 nan 8.280 nan 0.000 0.518 462 P HA 0.309 nan 4.420 nan 0.000 0.297 462 P C -1.153 175.999 177.300 -0.246 0.000 1.319 462 P CA -0.650 62.067 63.100 -0.638 0.000 0.810 462 P CB 1.495 32.769 31.700 -0.709 0.000 0.947 463 T N -2.095 112.367 114.554 -0.153 0.000 2.838 463 T HA 0.394 4.765 4.350 0.036 0.000 0.292 463 T C 0.793 175.416 174.700 -0.128 0.000 1.113 463 T CA -0.527 61.500 62.100 -0.121 0.000 1.008 463 T CB 1.196 70.004 68.868 -0.101 0.000 1.259 463 T HN 0.003 nan 8.240 nan 0.000 0.520 464 S N -0.126 115.469 115.700 -0.175 0.000 2.425 464 S HA 0.156 4.647 4.470 0.036 0.000 0.225 464 S C 2.344 176.749 174.600 -0.326 0.000 1.024 464 S CA 0.699 58.714 58.200 -0.309 0.000 0.951 464 S CB -0.709 62.036 63.200 -0.759 0.000 0.796 464 S HN 0.884 nan 8.310 nan 0.000 0.498 465 A N 2.114 124.802 122.820 -0.220 0.000 2.067 465 A HA -0.136 4.205 4.320 0.036 0.000 0.219 465 A C 1.891 179.397 177.584 -0.131 0.000 1.158 465 A CA 1.444 53.399 52.037 -0.136 0.000 0.661 465 A CB -0.568 18.375 19.000 -0.095 0.000 0.801 465 A HN 0.744 nan 8.150 nan 0.000 0.452 466 E N -0.152 119.966 120.200 -0.136 0.000 2.333 466 E HA -0.227 4.144 4.350 0.036 0.000 0.198 466 E C 1.483 177.999 176.600 -0.140 0.000 1.007 466 E CA 1.297 57.627 56.400 -0.117 0.000 0.845 466 E CB -0.195 29.463 29.700 -0.071 0.000 0.766 466 E HN 0.503 nan 8.360 nan 0.000 0.507 467 E N 1.107 121.191 120.200 -0.194 0.000 2.418 467 E HA -0.033 4.338 4.350 0.036 0.000 0.197 467 E C 1.755 178.318 176.600 -0.061 0.000 1.026 467 E CA 0.376 56.651 56.400 -0.208 0.000 0.862 467 E CB -0.192 29.245 29.700 -0.439 0.000 0.799 467 E HN 0.419 nan 8.360 nan 0.000 0.518 468 L N -0.650 120.543 121.223 -0.050 0.000 2.131 468 L HA -0.198 4.163 4.340 0.036 0.000 0.210 468 L C 1.890 178.757 176.870 -0.004 0.000 1.092 468 L CA 1.005 55.826 54.840 -0.032 0.000 0.759 468 L CB -0.172 41.766 42.059 -0.201 0.000 0.903 468 L HN 0.280 nan 8.230 nan 0.000 0.435 469 C N -1.610 117.662 119.300 -0.045 0.000 2.626 469 C HA 0.079 4.560 4.460 0.036 0.000 0.266 469 C C 1.878 176.903 174.990 0.057 0.000 1.317 469 C CA -0.023 59.002 59.018 0.011 0.000 1.716 469 C CB -0.829 26.890 27.740 -0.035 0.000 1.819 469 C HN 0.319 nan 8.230 nan 0.000 0.578 470 S N 0.444 116.158 115.700 0.023 0.000 2.624 470 S HA 0.367 4.858 4.470 0.036 0.000 0.246 470 S C 0.073 174.695 174.600 0.036 0.000 1.072 470 S CA 0.001 58.207 58.200 0.009 0.000 1.045 470 S CB -0.184 62.985 63.200 -0.052 0.000 0.851 470 S HN 0.538 nan 8.310 nan 0.000 0.480 471 M N 1.299 120.950 119.600 0.085 0.000 2.006 471 M HA 0.420 4.921 4.480 0.036 0.000 0.314 471 M C 0.709 177.096 176.300 0.145 0.000 0.926 471 M CA -0.185 55.190 55.300 0.124 0.000 0.906 471 M CB 1.324 34.004 32.600 0.134 0.000 1.422 471 M HN 0.049 nan 8.290 nan 0.000 0.397 472 R N -0.245 120.330 120.500 0.124 0.000 2.140 472 R HA 0.186 4.547 4.340 0.036 0.000 0.200 472 R C 0.136 176.577 176.300 0.234 0.000 1.069 472 R CA 0.582 56.713 56.100 0.051 0.000 1.088 472 R CB 0.480 30.674 30.300 -0.176 0.000 1.012 472 R HN 0.441 nan 8.270 nan 0.000 0.500 473 T N 3.847 118.479 114.554 0.131 0.000 2.761 473 T HA 0.249 4.620 4.350 0.036 0.000 0.296 473 T C -2.442 172.178 174.700 -0.134 0.000 0.934 473 T CA -1.373 60.745 62.100 0.029 0.000 1.091 473 T CB 1.387 70.257 68.868 0.003 0.000 0.896 473 T HN -0.078 nan 8.240 nan 0.000 0.515 474 P HA 0.249 nan 4.420 nan 0.000 0.269 474 P C 0.478 177.428 177.300 -0.584 0.000 1.209 474 P CA -0.341 62.141 63.100 -1.030 0.000 0.776 474 P CB 0.520 31.448 31.700 -1.287 0.000 0.876 475 A N 2.745 125.247 122.820 -0.530 0.000 1.897 475 A HA 0.045 4.386 4.320 0.036 0.000 0.215 475 A C 0.481 177.983 177.584 -0.137 0.000 1.181 475 A CA 1.670 53.570 52.037 -0.228 0.000 0.620 475 A CB -0.902 18.038 19.000 -0.101 0.000 0.821 475 A HN 0.719 nan 8.150 nan 0.000 0.443 476 Y N -5.707 114.314 120.300 -0.465 0.000 2.953 476 Y HA 0.721 5.292 4.550 0.035 0.000 0.321 476 Y C -0.958 174.505 175.900 -0.728 0.000 1.514 476 Y CA -2.600 55.241 58.100 -0.431 0.000 1.091 476 Y CB 0.378 38.699 38.460 -0.230 0.000 1.700 476 Y HN -0.052 nan 8.280 nan 0.000 0.436 477 F N -0.886 119.065 119.950 0.001 0.000 2.664 477 F HA 0.644 5.193 4.527 0.036 0.000 0.317 477 F C -1.565 174.152 175.800 -0.139 0.000 1.108 477 F CA -1.207 56.752 58.000 -0.069 0.000 0.957 477 F CB 2.135 41.116 39.000 -0.031 0.000 1.365 477 F HN 0.381 nan 8.300 nan 0.000 0.475 478 Y N 0.678 121.152 120.300 0.290 0.000 2.332 478 Y HA 0.323 4.895 4.550 0.036 0.000 0.326 478 Y C -0.536 175.461 175.900 0.162 0.000 0.978 478 Y CA -0.722 57.498 58.100 0.201 0.000 1.205 478 Y CB 1.743 40.293 38.460 0.151 0.000 1.131 478 Y HN 0.452 nan 8.280 nan 0.000 0.462 479 E N 2.715 123.058 120.200 0.238 0.000 2.055 479 E HA 0.236 4.607 4.350 0.036 0.000 0.274 479 E C -0.212 176.474 176.600 0.142 0.000 0.949 479 E CA -0.263 56.224 56.400 0.147 0.000 0.775 479 E CB 0.488 30.230 29.700 0.069 0.000 1.097 479 E HN 0.734 nan 8.360 nan 0.000 0.404 480 S N 2.834 118.617 115.700 0.138 0.000 3.378 480 S HA -0.259 4.232 4.470 0.036 0.000 0.365 480 S C 0.947 175.619 174.600 0.121 0.000 0.951 480 S CA 0.630 58.897 58.200 0.112 0.000 1.274 480 S CB -2.147 61.096 63.200 0.072 0.000 0.915 480 S HN 1.199 nan 8.310 nan 0.000 0.513 481 G N -0.270 108.628 108.800 0.163 0.000 2.213 481 G HA2 -0.246 3.735 3.960 0.036 0.000 0.236 481 G HA3 -0.246 3.735 3.960 0.036 0.000 0.236 481 G C -0.106 174.939 174.900 0.241 0.000 0.991 481 G CA 0.385 45.576 45.100 0.152 0.000 0.629 481 G HN 0.959 nan 8.290 nan 0.000 0.517 482 K N 0.077 120.640 120.400 0.272 0.000 2.316 482 K HA 0.577 4.918 4.320 0.036 0.000 0.251 482 K C 0.166 176.874 176.600 0.180 0.000 0.934 482 K CA -0.906 55.523 56.287 0.237 0.000 0.802 482 K CB 1.484 34.057 32.500 0.121 0.000 1.171 482 K HN 0.152 nan 8.250 nan 0.000 0.426 483 R N 2.643 123.163 120.500 0.034 0.000 2.351 483 R HA 0.126 4.487 4.340 0.036 0.000 0.318 483 R C -0.636 175.593 176.300 -0.118 0.000 1.055 483 R CA -0.213 55.718 56.100 -0.280 0.000 0.968 483 R CB 0.041 30.153 30.300 -0.314 0.000 0.974 483 R HN 0.422 nan 8.270 nan 0.000 0.439 484 V N 2.582 122.460 119.914 -0.059 0.000 2.604 484 V HA 0.290 4.432 4.120 0.036 0.000 0.305 484 V C 1.096 177.245 176.094 0.093 0.000 1.043 484 V CA -0.781 61.532 62.300 0.021 0.000 0.888 484 V CB 1.970 33.819 31.823 0.043 0.000 0.995 484 V HN 0.844 nan 8.190 nan 0.000 0.429 485 E N 4.004 124.240 120.200 0.059 0.000 2.107 485 E HA -0.102 4.270 4.350 0.036 0.000 0.191 485 E C 0.410 177.122 176.600 0.186 0.000 0.982 485 E CA 1.310 57.765 56.400 0.092 0.000 0.809 485 E CB -0.045 29.671 29.700 0.026 0.000 0.756 485 E HN 0.937 nan 8.360 nan 0.000 0.459 486 K N -0.283 120.195 120.400 0.130 0.000 2.400 486 K HA 0.618 4.960 4.320 0.036 0.000 0.246 486 K C -1.111 175.455 176.600 -0.057 0.000 0.995 486 K CA -1.121 55.219 56.287 0.088 0.000 0.840 486 K CB 1.773 34.292 32.500 0.032 0.000 1.293 486 K HN -0.023 nan 8.250 nan 0.000 0.445 487 L N 1.024 122.098 121.223 -0.249 0.000 2.305 487 L HA 0.548 4.909 4.340 0.036 0.000 0.284 487 L C -1.276 175.462 176.870 -0.221 0.000 1.013 487 L CA 0.403 55.005 54.840 -0.397 0.000 0.819 487 L CB 1.603 43.109 42.059 -0.920 0.000 1.227 487 L HN 0.865 nan 8.230 nan 0.000 0.417 488 S N 2.662 118.274 115.700 -0.147 0.000 2.583 488 S HA 0.800 5.292 4.470 0.036 0.000 0.294 488 S C -1.189 173.374 174.600 -0.062 0.000 1.121 488 S CA 0.043 58.188 58.200 -0.091 0.000 0.910 488 S CB 0.902 64.064 63.200 -0.064 0.000 1.102 488 S HN 0.967 nan 8.310 nan 0.000 0.451 489 S N 0.000 115.671 115.700 -0.049 0.000 2.498 489 S HA 0.000 4.491 4.470 0.036 0.000 0.327 489 S CA 0.000 58.182 58.200 -0.030 0.000 1.107 489 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 489 S HN 0.000 nan 8.310 nan 0.000 0.517