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 1lwl_1_A DATA FIRST_RESID 11 DATA SEQUENCE LAPLPPHVPE HLVFDFDMYN PSNLSAGVQE AWAVLQESNV PDLVWTRCNG DATA SEQUENCE GHWIATRGQL IREAYEDYRH FSSECPFIPR EAGEAYDFIP TSMDPPEQRQ DATA SEQUENCE FRALANQVVG MPVVDKLENR IQELACSLIE SLRPQGQCNF TEDYAEPFPI DATA SEQUENCE RIFMLLAGLP EEDIPHLKYL TDQMTRPDGS MTFAEAKEAL YDYLIPIIEQ DATA SEQUENCE RRQKPGTDAI SIVANGQVNG RPITSDEAKR MCGLLLVGGL DTVVNFLSFS DATA SEQUENCE MEFLAKSPEH RQELIERPER IPAACEELLR RFSLVADGRI LTSDYEFHGV DATA SEQUENCE QLKKGDQILL PQMLSGLDER ENACPMHVDF SRQKVSHTTF GHGSHLCLGQ DATA SEQUENCE HLARREIIVT LKEWLTRIPD FSIAPGAQIQ HKSGIVSGVQ ALPLVWDPAT DATA SEQUENCE TKAV 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.872 176.870 0.003 0.000 1.165 11 L CA 0.000 54.829 54.840 -0.019 0.000 0.813 11 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 12 A N 4.027 126.857 122.820 0.016 0.000 2.466 12 A HA 0.680 5.000 4.320 -0.000 0.000 0.238 12 A C -2.194 175.430 177.584 0.066 0.000 1.074 12 A CA -0.685 51.379 52.037 0.046 0.000 0.774 12 A CB -0.445 18.596 19.000 0.070 0.000 1.015 12 A HN 0.481 nan 8.150 nan 0.000 0.498 13 P HA 0.142 nan 4.420 nan 0.000 0.265 13 P C -0.470 176.850 177.300 0.033 0.000 1.193 13 P CA -0.164 62.955 63.100 0.031 0.000 0.765 13 P CB 0.291 32.004 31.700 0.021 0.000 0.823 14 L N 7.034 128.246 121.223 -0.019 0.000 2.418 14 L HA 0.290 4.630 4.340 -0.000 0.000 0.274 14 L C -2.166 174.569 176.870 -0.224 0.000 1.135 14 L CA -1.641 53.123 54.840 -0.128 0.000 0.870 14 L CB -0.419 41.549 42.059 -0.151 0.000 1.154 14 L HN 0.298 nan 8.230 nan 0.000 0.462 15 P HA 0.157 nan 4.420 nan 0.000 0.268 15 P C -2.150 174.947 177.300 -0.338 0.000 1.204 15 P CA -0.940 61.966 63.100 -0.323 0.000 0.768 15 P CB 0.252 31.674 31.700 -0.463 0.000 0.842 16 P HA -0.234 nan 4.420 nan 0.000 0.217 16 P C 1.257 178.508 177.300 -0.082 0.000 1.151 16 P CA 1.501 64.552 63.100 -0.081 0.000 0.849 16 P CB -0.429 31.269 31.700 -0.003 0.000 0.787 17 H N -1.884 117.120 119.070 -0.110 0.000 2.546 17 H HA 0.072 4.628 4.556 -0.001 0.000 0.277 17 H C 0.014 175.301 175.328 -0.069 0.000 1.004 17 H CA 0.377 56.389 56.048 -0.060 0.000 1.231 17 H CB -0.754 29.000 29.762 -0.013 0.000 1.382 17 H HN -0.050 nan 8.280 nan 0.000 0.580 18 V N 5.662 125.155 119.914 -0.702 0.000 2.385 18 V HA 0.199 4.319 4.120 -0.000 0.000 0.269 18 V C -1.912 173.984 176.094 -0.329 0.000 1.043 18 V CA -1.563 60.357 62.300 -0.632 0.000 0.906 18 V CB 1.491 32.525 31.823 -1.314 0.000 0.995 18 V HN 0.270 nan 8.190 nan 0.000 0.467 19 P HA 0.160 nan 4.420 nan 0.000 0.276 19 P C 0.516 177.757 177.300 -0.099 0.000 1.235 19 P CA -0.147 62.920 63.100 -0.056 0.000 0.772 19 P CB 1.605 33.343 31.700 0.065 0.000 0.871 20 E N 3.087 123.276 120.200 -0.019 0.000 2.169 20 E HA -0.274 4.076 4.350 -0.000 0.000 0.202 20 E C 1.674 178.296 176.600 0.038 0.000 1.016 20 E CA 1.813 58.213 56.400 -0.000 0.000 0.817 20 E CB -0.747 28.972 29.700 0.031 0.000 0.736 20 E HN 0.587 nan 8.360 nan 0.000 0.462 21 H N -0.559 118.530 119.070 0.032 0.000 2.559 21 H HA -0.007 4.548 4.556 -0.001 0.000 0.273 21 H C 1.401 176.786 175.328 0.096 0.000 1.000 21 H CA 0.879 56.960 56.048 0.054 0.000 1.195 21 H CB -0.218 29.571 29.762 0.045 0.000 1.368 21 H HN 0.280 nan 8.280 nan 0.000 0.592 22 L N 1.129 122.171 121.223 -0.303 0.000 2.640 22 L HA 0.196 4.536 4.340 -0.000 0.000 0.230 22 L C 0.207 177.134 176.870 0.096 0.000 1.123 22 L CA -0.250 54.530 54.840 -0.101 0.000 0.900 22 L CB 0.794 42.821 42.059 -0.053 0.000 1.146 22 L HN -0.029 nan 8.230 nan 0.000 0.484 23 V N 1.136 121.095 119.914 0.075 0.000 2.470 23 V HA 0.061 4.181 4.120 -0.000 0.000 0.276 23 V C -0.600 175.593 176.094 0.166 0.000 1.040 23 V CA 0.223 62.603 62.300 0.134 0.000 1.008 23 V CB 0.729 32.595 31.823 0.071 0.000 0.990 23 V HN 0.067 nan 8.190 nan 0.000 0.477 24 F N 4.202 124.168 119.950 0.027 0.000 2.745 24 F HA 0.426 4.952 4.527 -0.001 0.000 0.343 24 F C 0.095 175.883 175.800 -0.020 0.000 1.196 24 F CA -1.138 56.868 58.000 0.009 0.000 1.021 24 F CB 1.519 40.525 39.000 0.011 0.000 1.297 24 F HN 0.524 nan 8.300 nan 0.000 0.486 25 D N 6.669 127.071 120.400 0.003 0.000 2.600 25 D HA -0.005 4.635 4.640 -0.000 0.000 0.226 25 D C -0.323 176.042 176.300 0.108 0.000 1.119 25 D CA 0.386 54.390 54.000 0.007 0.000 1.051 25 D CB -0.199 40.550 40.800 -0.085 0.000 1.106 25 D HN 0.262 nan 8.370 nan 0.000 0.491 26 F N 1.821 121.837 119.950 0.109 0.000 2.410 26 F HA 0.137 4.664 4.527 -0.000 0.000 0.348 26 F C 0.379 176.104 175.800 -0.125 0.000 1.106 26 F CA -0.785 57.234 58.000 0.032 0.000 1.163 26 F CB 0.948 39.915 39.000 -0.055 0.000 1.129 26 F HN -0.117 nan 8.300 nan 0.000 0.516 27 D N 7.352 127.294 120.400 -0.763 0.000 2.443 27 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 27 D C 0.980 176.752 176.300 -0.879 0.000 1.097 27 D CA -0.381 53.288 54.000 -0.551 0.000 0.865 27 D CB 0.899 41.503 40.800 -0.327 0.000 1.034 27 D HN 0.761 nan 8.370 nan 0.000 0.511 28 M N 1.885 121.133 119.600 -0.587 0.000 2.539 28 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 28 M C 0.157 176.214 176.300 -0.405 0.000 1.069 28 M CA 1.249 56.224 55.300 -0.542 0.000 1.081 28 M CB -0.123 32.354 32.600 -0.205 0.000 1.412 28 M HN 0.183 nan 8.290 nan 0.000 0.482 29 Y N 0.565 120.785 120.300 -0.133 0.000 2.458 29 Y HA 0.297 4.847 4.550 -0.000 0.000 0.254 29 Y C 0.603 176.459 175.900 -0.072 0.000 1.120 29 Y CA 0.047 58.118 58.100 -0.048 0.000 1.282 29 Y CB 0.560 38.992 38.460 -0.046 0.000 1.109 29 Y HN 0.465 nan 8.280 nan 0.000 0.526 30 N N 0.350 119.011 118.700 -0.065 0.000 2.732 30 N HA 0.170 4.910 4.740 -0.000 0.000 0.230 30 N C -3.197 172.182 175.510 -0.219 0.000 1.487 30 N CA -1.270 51.733 53.050 -0.079 0.000 0.765 30 N CB 0.815 39.279 38.487 -0.038 0.000 1.384 30 N HN -0.189 nan 8.380 nan 0.000 0.530 31 P HA -0.010 nan 4.420 nan 0.000 0.264 31 P C 0.836 178.028 177.300 -0.180 0.000 1.183 31 P CA 0.172 63.006 63.100 -0.443 0.000 0.763 31 P CB 1.154 32.655 31.700 -0.332 0.000 0.807 32 S N 2.506 118.116 115.700 -0.149 0.000 2.380 32 S HA -0.228 4.242 4.470 -0.000 0.000 0.229 32 S C 1.044 175.641 174.600 -0.005 0.000 1.043 32 S CA 1.894 60.062 58.200 -0.053 0.000 1.038 32 S CB -0.678 62.514 63.200 -0.013 0.000 0.872 32 S HN 0.485 nan 8.310 nan 0.000 0.456 33 N N 0.638 119.356 118.700 0.030 0.000 2.538 33 N HA 0.293 5.032 4.740 -0.000 0.000 0.291 33 N C 0.407 175.956 175.510 0.065 0.000 1.323 33 N CA -0.148 52.931 53.050 0.047 0.000 0.934 33 N CB 0.652 39.177 38.487 0.063 0.000 1.255 33 N HN 0.191 nan 8.380 nan 0.000 0.509 34 L N 0.570 121.830 121.223 0.061 0.000 2.043 34 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 34 L C 2.143 179.055 176.870 0.071 0.000 1.075 34 L CA 1.828 56.727 54.840 0.099 0.000 0.752 34 L CB -0.852 41.263 42.059 0.094 0.000 0.891 34 L HN 0.373 nan 8.230 nan 0.000 0.432 35 S N -0.881 114.841 115.700 0.035 0.000 2.440 35 S HA -0.143 4.327 4.470 -0.000 0.000 0.238 35 S C 1.859 176.446 174.600 -0.021 0.000 1.010 35 S CA 0.844 59.046 58.200 0.003 0.000 0.972 35 S CB -0.876 62.327 63.200 0.006 0.000 0.774 35 S HN 0.503 nan 8.310 nan 0.000 0.501 36 A N 0.894 123.720 122.820 0.009 0.000 2.251 36 A HA 0.596 4.916 4.320 -0.000 0.000 0.209 36 A C 1.102 178.696 177.584 0.016 0.000 1.187 36 A CA 0.247 52.291 52.037 0.012 0.000 0.823 36 A CB -0.772 18.251 19.000 0.038 0.000 0.846 36 A HN 1.623 nan 8.150 nan 0.000 0.486 37 G N -2.120 106.682 108.800 0.003 0.000 2.841 37 G HA2 0.105 4.065 3.960 -0.000 0.000 0.684 37 G HA3 0.105 4.065 3.960 -0.000 0.000 0.684 37 G C 0.346 175.414 174.900 0.279 0.000 1.273 37 G CA -0.185 44.965 45.100 0.083 0.000 0.811 37 G HN 0.817 nan 8.290 nan 0.000 0.631 38 V N 1.835 122.060 119.914 0.518 0.000 2.307 38 V HA -0.149 3.970 4.120 -0.000 0.000 0.245 38 V C 2.705 179.016 176.094 0.362 0.000 1.045 38 V CA 3.299 65.861 62.300 0.438 0.000 1.024 38 V CB -0.302 31.780 31.823 0.432 0.000 0.651 38 V HN 0.818 nan 8.190 nan 0.000 0.449 39 Q N 0.015 119.910 119.800 0.158 0.000 2.096 39 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 39 Q C 2.090 178.178 176.000 0.146 0.000 0.982 39 Q CA 2.286 58.118 55.803 0.049 0.000 0.850 39 Q CB -0.332 28.350 28.738 -0.092 0.000 0.901 39 Q HN 0.698 nan 8.270 nan 0.000 0.422 40 E N -0.033 120.258 120.200 0.151 0.000 2.110 40 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 40 E C 1.770 178.478 176.600 0.180 0.000 0.988 40 E CA 1.186 57.664 56.400 0.131 0.000 0.804 40 E CB -0.340 29.425 29.700 0.109 0.000 0.745 40 E HN 0.414 nan 8.360 nan 0.000 0.458 41 A N -0.222 122.752 122.820 0.257 0.000 1.898 41 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 41 A C 1.711 179.502 177.584 0.346 0.000 1.181 41 A CA 1.196 53.397 52.037 0.274 0.000 0.620 41 A CB -0.864 18.294 19.000 0.265 0.000 0.819 41 A HN 0.340 nan 8.150 nan 0.000 0.442 42 W N -0.371 121.033 121.300 0.174 0.000 2.418 42 W HA 0.144 4.804 4.660 -0.001 0.000 0.292 42 W C 2.677 179.119 176.519 -0.129 0.000 1.213 42 W CA 0.948 58.313 57.345 0.034 0.000 1.283 42 W CB -0.536 28.917 29.460 -0.012 0.000 1.119 42 W HN 0.341 nan 8.180 nan 0.000 0.542 43 A N 0.642 123.557 122.820 0.160 0.000 2.084 43 A HA -0.204 4.116 4.320 -0.000 0.000 0.221 43 A C 2.007 179.585 177.584 -0.011 0.000 1.161 43 A CA 2.224 54.283 52.037 0.037 0.000 0.653 43 A CB -1.328 17.693 19.000 0.034 0.000 0.802 43 A HN 0.315 nan 8.150 nan 0.000 0.457 44 V N -2.457 117.467 119.914 0.017 0.000 2.720 44 V HA -0.155 3.965 4.120 -0.000 0.000 0.256 44 V C 1.947 177.969 176.094 -0.119 0.000 1.082 44 V CA 1.857 64.169 62.300 0.020 0.000 1.101 44 V CB -0.914 30.991 31.823 0.136 0.000 0.693 44 V HN 0.472 nan 8.190 nan 0.000 0.479 45 L N -0.443 120.602 121.223 -0.296 0.000 2.551 45 L HA 0.034 4.374 4.340 -0.000 0.000 0.228 45 L C 2.371 179.065 176.870 -0.294 0.000 1.153 45 L CA 1.042 55.573 54.840 -0.515 0.000 0.851 45 L CB -0.328 41.342 42.059 -0.649 0.000 0.959 45 L HN 0.425 nan 8.230 nan 0.000 0.451 46 Q N -0.603 119.099 119.800 -0.164 0.000 2.179 46 Q HA 0.124 4.464 4.340 -0.000 0.000 0.213 46 Q C -0.217 175.748 176.000 -0.060 0.000 0.833 46 Q CA -0.186 55.554 55.803 -0.104 0.000 0.990 46 Q CB 0.704 29.394 28.738 -0.080 0.000 1.132 46 Q HN 0.442 nan 8.270 nan 0.000 0.493 47 E N 0.569 120.744 120.200 -0.042 0.000 2.392 47 E HA -0.024 4.325 4.350 -0.000 0.000 0.264 47 E C 0.946 177.546 176.600 0.000 0.000 1.024 47 E CA 0.303 56.701 56.400 -0.003 0.000 0.903 47 E CB 0.936 30.656 29.700 0.032 0.000 0.963 47 E HN 0.193 nan 8.360 nan 0.000 0.432 48 S N 2.842 118.545 115.700 0.006 0.000 2.413 48 S HA -0.276 4.194 4.470 -0.000 0.000 0.237 48 S C 1.196 175.808 174.600 0.020 0.000 1.044 48 S CA 1.805 60.009 58.200 0.007 0.000 1.024 48 S CB -0.332 62.873 63.200 0.009 0.000 0.829 48 S HN 0.699 nan 8.310 nan 0.000 0.475 49 N N 1.020 119.743 118.700 0.038 0.000 2.295 49 N HA 0.138 4.878 4.740 -0.000 0.000 0.221 49 N C -0.593 174.966 175.510 0.082 0.000 1.129 49 N CA -0.211 52.873 53.050 0.057 0.000 0.836 49 N CB 0.152 38.678 38.487 0.065 0.000 1.040 49 N HN 0.367 nan 8.380 nan 0.000 0.494 50 V N 1.311 121.255 119.914 0.051 0.000 2.448 50 V HA 0.427 4.547 4.120 -0.000 0.000 0.295 50 V C -2.093 174.005 176.094 0.006 0.000 1.025 50 V CA -1.641 60.682 62.300 0.040 0.000 0.859 50 V CB 1.732 33.516 31.823 -0.065 0.000 0.988 50 V HN 0.037 nan 8.190 nan 0.000 0.431 51 P HA 0.118 nan 4.420 nan 0.000 0.270 51 P C 0.223 177.509 177.300 -0.024 0.000 1.227 51 P CA -0.123 62.994 63.100 0.028 0.000 0.788 51 P CB 0.638 32.382 31.700 0.074 0.000 0.926 52 D N -0.406 119.970 120.400 -0.039 0.000 2.219 52 D HA -0.008 4.631 4.640 -0.000 0.000 0.205 52 D C 0.276 176.532 176.300 -0.073 0.000 0.970 52 D CA 1.314 55.260 54.000 -0.089 0.000 0.851 52 D CB -0.112 40.601 40.800 -0.145 0.000 0.943 52 D HN 0.040 nan 8.370 nan 0.000 0.488 53 L N 0.635 121.850 121.223 -0.012 0.000 2.441 53 L HA 0.340 4.680 4.340 -0.000 0.000 0.270 53 L C -0.767 176.226 176.870 0.204 0.000 0.973 53 L CA -0.928 53.956 54.840 0.074 0.000 0.842 53 L CB 1.714 43.788 42.059 0.025 0.000 1.239 53 L HN -0.159 nan 8.230 nan 0.000 0.406 54 V N 1.521 121.589 119.914 0.257 0.000 3.158 54 V HA 0.706 4.825 4.120 -0.000 0.000 0.315 54 V C -1.254 175.095 176.094 0.426 0.000 1.148 54 V CA -0.780 61.703 62.300 0.305 0.000 1.042 54 V CB 2.108 34.016 31.823 0.140 0.000 1.101 54 V HN 0.915 nan 8.190 nan 0.000 0.448 55 W N 1.476 122.791 121.300 0.026 0.000 2.656 55 W HA 0.683 5.345 4.660 0.003 0.000 0.327 55 W C -1.167 175.232 176.519 -0.200 0.000 1.041 55 W CA -0.251 56.927 57.345 -0.279 0.000 1.229 55 W CB 1.956 31.002 29.460 -0.690 0.000 1.397 55 W HN 0.878 nan 8.180 nan 0.000 0.479 56 T N 5.166 119.217 114.554 -0.839 0.000 2.823 56 T HA 0.394 4.744 4.350 -0.000 0.000 0.279 56 T C 0.837 175.044 174.700 -0.822 0.000 0.998 56 T CA -0.454 61.301 62.100 -0.575 0.000 0.994 56 T CB 1.251 69.850 68.868 -0.448 0.000 0.960 56 T HN 0.633 nan 8.240 nan 0.000 0.448 57 R N 1.990 122.305 120.500 -0.309 0.000 2.310 57 R HA 0.195 4.535 4.340 -0.000 0.000 0.202 57 R C 0.661 176.862 176.300 -0.165 0.000 0.933 57 R CA -0.149 55.866 56.100 -0.142 0.000 1.054 57 R CB -0.287 30.036 30.300 0.039 0.000 0.985 57 R HN 0.564 nan 8.270 nan 0.000 0.489 58 C N 1.332 120.505 119.300 -0.212 0.000 2.649 58 C HA 0.070 4.530 4.460 -0.000 0.000 0.377 58 C C 0.875 175.809 174.990 -0.093 0.000 1.321 58 C CA -0.471 58.469 59.018 -0.129 0.000 2.368 58 C CB -0.067 27.603 27.740 -0.117 0.000 2.597 58 C HN 0.660 nan 8.230 nan 0.000 0.678 59 N N 0.646 119.343 118.700 -0.006 0.000 2.707 59 N HA -0.140 4.600 4.740 -0.000 0.000 0.253 59 N C 0.762 176.306 175.510 0.058 0.000 0.998 59 N CA 0.908 53.992 53.050 0.056 0.000 0.751 59 N CB -1.119 37.473 38.487 0.176 0.000 0.920 59 N HN 1.330 nan 8.380 nan 0.000 0.539 60 G N -1.926 106.882 108.800 0.014 0.000 2.268 60 G HA2 0.065 4.024 3.960 -0.000 0.000 0.240 60 G HA3 0.065 4.024 3.960 -0.000 0.000 0.240 60 G C 0.555 175.458 174.900 0.005 0.000 1.010 60 G CA 0.299 45.418 45.100 0.031 0.000 0.618 60 G HN 1.653 nan 8.290 nan 0.000 0.516 61 G N -0.631 108.078 108.800 -0.151 0.000 3.190 61 G HA2 0.571 4.531 3.960 -0.000 0.000 0.686 61 G HA3 0.571 4.531 3.960 -0.000 0.000 0.686 61 G C -0.535 173.844 174.900 -0.869 0.000 1.033 61 G CA 0.661 45.449 45.100 -0.519 0.000 0.797 61 G HN 2.894 nan 8.290 nan 0.000 0.567 62 H N -1.603 116.470 119.070 -1.662 0.000 2.969 62 H HA 0.638 5.193 4.556 -0.001 0.000 0.304 62 H C -0.539 174.194 175.328 -0.992 0.000 1.400 62 H CA -1.602 53.752 56.048 -1.158 0.000 1.182 62 H CB -0.041 29.493 29.762 -0.380 0.000 1.865 62 H HN 0.676 nan 8.280 nan 0.000 0.512 63 W N 0.726 122.026 121.300 -0.000 0.000 2.086 63 W HA 0.632 5.291 4.660 -0.001 0.000 0.355 63 W C -0.173 176.452 176.519 0.177 0.000 1.313 63 W CA -0.532 56.915 57.345 0.170 0.000 1.358 63 W CB 0.725 30.370 29.460 0.309 0.000 1.166 63 W HN 0.475 nan 8.180 nan 0.000 0.630 64 I N 2.098 122.905 120.570 0.395 0.000 2.563 64 I HA 0.293 4.463 4.170 -0.000 0.000 0.285 64 I C -0.437 175.754 176.117 0.123 0.000 1.123 64 I CA -1.067 60.354 61.300 0.203 0.000 1.059 64 I CB 1.175 39.214 38.000 0.064 0.000 1.229 64 I HN 0.441 nan 8.210 nan 0.000 0.442 65 A N 3.330 126.191 122.820 0.070 0.000 2.366 65 A HA 0.511 4.831 4.320 -0.000 0.000 0.272 65 A C 1.022 178.583 177.584 -0.038 0.000 1.135 65 A CA 0.050 52.090 52.037 0.007 0.000 0.804 65 A CB 0.244 19.228 19.000 -0.027 0.000 1.064 65 A HN 0.850 nan 8.150 nan 0.000 0.499 66 T N -0.286 114.222 114.554 -0.077 0.000 3.023 66 T HA 0.241 4.591 4.350 -0.000 0.000 0.253 66 T C 0.607 175.247 174.700 -0.101 0.000 1.038 66 T CA -0.089 61.943 62.100 -0.112 0.000 0.962 66 T CB 0.098 68.868 68.868 -0.162 0.000 1.018 66 T HN 0.522 nan 8.240 nan 0.000 0.521 67 R N 0.430 120.869 120.500 -0.101 0.000 2.740 67 R HA 0.602 4.942 4.340 -0.000 0.000 0.282 67 R C 1.545 177.790 176.300 -0.092 0.000 0.969 67 R CA -0.361 55.680 56.100 -0.099 0.000 0.918 67 R CB 1.060 31.291 30.300 -0.115 0.000 1.175 67 R HN 0.212 nan 8.270 nan 0.000 0.464 68 G N 1.160 109.913 108.800 -0.079 0.000 2.505 68 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.220 68 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.220 68 G C 1.079 175.928 174.900 -0.085 0.000 1.145 68 G CA 0.967 46.022 45.100 -0.075 0.000 0.761 68 G HN 0.649 nan 8.290 nan 0.000 0.571 69 Q N -0.581 119.164 119.800 -0.091 0.000 2.030 69 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 69 Q C 2.581 178.524 176.000 -0.094 0.000 0.986 69 Q CA 1.357 57.109 55.803 -0.085 0.000 0.843 69 Q CB -0.200 28.484 28.738 -0.090 0.000 0.904 69 Q HN 0.413 nan 8.270 nan 0.000 0.420 70 L N 0.395 121.509 121.223 -0.183 0.000 2.093 70 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 70 L C 2.232 179.101 176.870 -0.003 0.000 1.085 70 L CA 1.270 56.011 54.840 -0.166 0.000 0.755 70 L CB -0.402 41.478 42.059 -0.297 0.000 0.904 70 L HN 0.305 nan 8.230 nan 0.000 0.435 71 I N -0.914 119.624 120.570 -0.054 0.000 2.127 71 I HA -0.339 3.831 4.170 -0.000 0.000 0.241 71 I C 2.662 178.792 176.117 0.022 0.000 1.075 71 I CA 1.324 62.594 61.300 -0.050 0.000 1.334 71 I CB -0.293 37.709 38.000 0.003 0.000 1.040 71 I HN 0.193 nan 8.210 nan 0.000 0.405 72 R N 0.576 121.070 120.500 -0.010 0.000 2.073 72 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 72 R C 2.232 178.626 176.300 0.157 0.000 1.134 72 R CA 1.495 57.544 56.100 -0.085 0.000 0.952 72 R CB -0.330 29.768 30.300 -0.337 0.000 0.850 72 R HN 0.450 nan 8.270 nan 0.000 0.433 73 E N 0.424 120.715 120.200 0.152 0.000 2.058 73 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 73 E C 2.092 178.818 176.600 0.209 0.000 0.997 73 E CA 1.267 57.828 56.400 0.269 0.000 0.801 73 E CB -0.147 29.796 29.700 0.404 0.000 0.746 73 E HN 0.381 nan 8.360 nan 0.000 0.450 74 A N 0.672 123.471 122.820 -0.036 0.000 1.902 74 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 74 A C 1.820 179.254 177.584 -0.250 0.000 1.181 74 A CA 1.202 52.879 52.037 -0.599 0.000 0.623 74 A CB -0.722 17.534 19.000 -1.241 0.000 0.818 74 A HN 0.250 nan 8.150 nan 0.000 0.443 75 Y N 0.318 120.637 120.300 0.032 0.000 2.497 75 Y HA -0.078 4.473 4.550 0.001 0.000 0.292 75 Y C 2.305 178.338 175.900 0.222 0.000 1.137 75 Y CA 1.295 59.489 58.100 0.157 0.000 1.285 75 Y CB -0.218 38.376 38.460 0.223 0.000 0.991 75 Y HN 0.494 nan 8.280 nan 0.000 0.556 76 E N -0.913 119.510 120.200 0.372 0.000 2.122 76 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 76 E C 0.423 177.183 176.600 0.267 0.000 0.977 76 E CA 0.617 57.194 56.400 0.296 0.000 0.820 76 E CB 0.111 29.984 29.700 0.288 0.000 0.770 76 E HN 0.101 nan 8.360 nan 0.000 0.462 77 D N 0.309 120.855 120.400 0.244 0.000 2.619 77 D HA -0.031 4.609 4.640 -0.000 0.000 0.224 77 D C 0.490 176.864 176.300 0.123 0.000 1.133 77 D CA -0.316 53.767 54.000 0.137 0.000 1.017 77 D CB -0.191 40.756 40.800 0.246 0.000 1.077 77 D HN 0.216 nan 8.370 nan 0.000 0.503 78 Y N 0.910 121.279 120.300 0.115 0.000 2.497 78 Y HA 0.037 4.588 4.550 0.002 0.000 0.292 78 Y C 1.839 177.734 175.900 -0.007 0.000 1.137 78 Y CA 0.502 58.666 58.100 0.107 0.000 1.285 78 Y CB -0.291 38.233 38.460 0.106 0.000 0.991 78 Y HN 0.044 nan 8.280 nan 0.000 0.556 79 R N -0.239 119.808 120.500 -0.755 0.000 2.092 79 R HA -0.099 4.240 4.340 -0.000 0.000 0.231 79 R C 1.569 177.549 176.300 -0.533 0.000 1.119 79 R CA 2.046 57.751 56.100 -0.658 0.000 0.970 79 R CB -0.404 29.393 30.300 -0.838 0.000 0.864 79 R HN 0.597 nan 8.270 nan 0.000 0.440 80 H N -2.162 116.605 119.070 -0.506 0.000 2.486 80 H HA 0.105 4.661 4.556 0.000 0.000 0.287 80 H C -0.240 174.616 175.328 -0.786 0.000 1.010 80 H CA 0.063 55.639 56.048 -0.787 0.000 1.324 80 H CB 0.489 29.416 29.762 -1.391 0.000 1.446 80 H HN -0.027 nan 8.280 nan 0.000 0.537 81 F N 1.298 121.208 119.950 -0.066 0.000 2.307 81 F HA 0.268 4.796 4.527 0.001 0.000 0.369 81 F C 0.296 176.118 175.800 0.038 0.000 1.076 81 F CA -0.712 57.267 58.000 -0.036 0.000 1.149 81 F CB 1.093 40.033 39.000 -0.100 0.000 1.410 81 F HN -0.090 nan 8.300 nan 0.000 0.481 82 S N 0.884 116.676 115.700 0.154 0.000 2.601 82 S HA 0.265 4.735 4.470 -0.000 0.000 0.271 82 S C 1.060 175.738 174.600 0.130 0.000 1.305 82 S CA -0.485 57.804 58.200 0.149 0.000 1.022 82 S CB 1.072 64.328 63.200 0.092 0.000 0.940 82 S HN 0.495 nan 8.310 nan 0.000 0.525 83 S N 2.306 118.076 115.700 0.117 0.000 2.575 83 S HA 0.056 4.526 4.470 -0.000 0.000 0.215 83 S C 1.460 176.061 174.600 0.001 0.000 0.966 83 S CA 0.170 58.384 58.200 0.023 0.000 0.911 83 S CB -0.171 62.994 63.200 -0.059 0.000 0.780 83 S HN 0.850 nan 8.310 nan 0.000 0.514 84 E N 1.369 121.592 120.200 0.037 0.000 2.086 84 E HA -0.200 4.150 4.350 -0.000 0.000 0.200 84 E C 0.661 177.262 176.600 0.001 0.000 1.012 84 E CA 1.178 57.594 56.400 0.027 0.000 0.812 84 E CB -0.133 29.590 29.700 0.039 0.000 0.743 84 E HN 0.420 nan 8.360 nan 0.000 0.453 85 C N 1.607 120.900 119.300 -0.011 0.000 2.816 85 C HA 0.486 4.946 4.460 -0.000 0.000 0.255 85 C C -1.929 173.008 174.990 -0.087 0.000 1.141 85 C CA -1.507 57.485 59.018 -0.043 0.000 1.554 85 C CB 0.782 28.527 27.740 0.008 0.000 1.778 85 C HN 0.381 nan 8.230 nan 0.000 0.429 86 P HA 0.109 nan 4.420 nan 0.000 0.240 86 P C -0.021 177.201 177.300 -0.130 0.000 1.190 86 P CA 0.671 63.608 63.100 -0.270 0.000 0.781 86 P CB 0.233 31.642 31.700 -0.486 0.000 0.931 87 F N 0.034 119.855 119.950 -0.215 0.000 2.556 87 F HA 0.490 5.017 4.527 -0.000 0.000 0.327 87 F C 0.817 176.519 175.800 -0.163 0.000 1.059 87 F CA -2.346 55.511 58.000 -0.238 0.000 0.953 87 F CB 0.834 39.598 39.000 -0.393 0.000 1.227 87 F HN -0.356 nan 8.300 nan 0.000 0.478 88 I N 3.929 124.547 120.570 0.080 0.000 2.433 88 I HA 0.342 4.511 4.170 -0.000 0.000 0.292 88 I C -2.186 173.998 176.117 0.113 0.000 1.001 88 I CA -2.025 59.291 61.300 0.027 0.000 1.119 88 I CB 2.290 40.223 38.000 -0.112 0.000 1.289 88 I HN 0.328 nan 8.210 nan 0.000 0.438 89 P HA 0.126 nan 4.420 nan 0.000 0.274 89 P C 0.366 177.675 177.300 0.014 0.000 1.246 89 P CA -0.417 62.698 63.100 0.024 0.000 0.795 89 P CB 1.092 32.785 31.700 -0.011 0.000 1.006 90 R N 1.281 121.798 120.500 0.030 0.000 2.119 90 R HA -0.220 4.119 4.340 -0.000 0.000 0.246 90 R C 2.186 178.501 176.300 0.025 0.000 1.146 90 R CA 2.504 58.625 56.100 0.034 0.000 0.962 90 R CB -0.386 29.946 30.300 0.054 0.000 0.863 90 R HN 0.643 nan 8.270 nan 0.000 0.442 91 E N -0.392 119.822 120.200 0.023 0.000 2.118 91 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 91 E C 1.799 178.416 176.600 0.027 0.000 0.992 91 E CA 1.258 57.679 56.400 0.034 0.000 0.804 91 E CB -0.267 29.456 29.700 0.037 0.000 0.741 91 E HN 0.434 nan 8.360 nan 0.000 0.458 92 A N 1.687 124.484 122.820 -0.038 0.000 1.872 92 A HA 0.039 4.359 4.320 -0.000 0.000 0.214 92 A C 2.551 180.021 177.584 -0.189 0.000 1.187 92 A CA 1.422 53.341 52.037 -0.197 0.000 0.614 92 A CB -1.192 17.628 19.000 -0.300 0.000 0.826 92 A HN 0.410 nan 8.150 nan 0.000 0.442 93 G N -0.419 108.337 108.800 -0.073 0.000 2.422 93 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 93 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 93 G C 1.418 176.297 174.900 -0.035 0.000 1.146 93 G CA 0.983 46.021 45.100 -0.104 0.000 0.769 93 G HN 0.651 nan 8.290 nan 0.000 0.547 94 E N 0.427 120.637 120.200 0.016 0.000 2.072 94 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 94 E C 2.850 179.504 176.600 0.090 0.000 0.985 94 E CA 0.745 57.174 56.400 0.049 0.000 0.801 94 E CB -0.124 29.608 29.700 0.052 0.000 0.750 94 E HN 0.416 nan 8.360 nan 0.000 0.452 95 A N 0.792 123.695 122.820 0.139 0.000 2.016 95 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 95 A C 0.822 178.591 177.584 0.310 0.000 1.162 95 A CA 0.146 52.320 52.037 0.227 0.000 0.662 95 A CB -0.446 18.750 19.000 0.328 0.000 0.812 95 A HN 0.333 nan 8.150 nan 0.000 0.450 96 Y N 2.187 122.556 120.300 0.115 0.000 2.569 96 Y HA 0.210 4.760 4.550 -0.000 0.000 0.332 96 Y C 0.184 176.074 175.900 -0.016 0.000 1.120 96 Y CA 0.038 58.168 58.100 0.050 0.000 1.416 96 Y CB 0.551 38.826 38.460 -0.307 0.000 1.210 96 Y HN 0.420 nan 8.280 nan 0.000 0.528 97 D N 4.507 124.733 120.400 -0.291 0.000 2.620 97 D HA 0.043 4.683 4.640 -0.000 0.000 0.260 97 D C -0.582 175.648 176.300 -0.117 0.000 1.367 97 D CA -0.360 53.547 54.000 -0.154 0.000 0.805 97 D CB -0.642 40.172 40.800 0.023 0.000 1.096 97 D HN 0.148 nan 8.370 nan 0.000 0.488 98 F N 1.143 120.669 119.950 -0.706 0.000 2.539 98 F HA 0.319 4.846 4.527 -0.000 0.000 0.340 98 F C 1.181 176.823 175.800 -0.263 0.000 1.185 98 F CA -0.978 56.765 58.000 -0.429 0.000 1.333 98 F CB 0.361 39.063 39.000 -0.496 0.000 1.152 98 F HN -0.096 nan 8.300 nan 0.000 0.602 99 I N 4.255 124.829 120.570 0.007 0.000 2.509 99 I HA 0.227 4.397 4.170 -0.000 0.000 0.293 99 I C -1.803 174.321 176.117 0.013 0.000 1.020 99 I CA -1.669 59.583 61.300 -0.080 0.000 1.088 99 I CB 2.849 40.684 38.000 -0.276 0.000 1.267 99 I HN 0.312 nan 8.210 nan 0.000 0.430 100 P HA 0.068 nan 4.420 nan 0.000 0.263 100 P C 0.953 178.383 177.300 0.217 0.000 1.448 100 P CA 0.095 63.249 63.100 0.091 0.000 0.983 100 P CB -0.036 31.748 31.700 0.140 0.000 1.481 101 T N -2.417 112.253 114.554 0.193 0.000 2.977 101 T HA -0.085 4.264 4.350 -0.000 0.000 0.271 101 T C 1.451 176.180 174.700 0.048 0.000 1.105 101 T CA 1.384 63.558 62.100 0.123 0.000 1.116 101 T CB -0.883 68.165 68.868 0.300 0.000 0.878 101 T HN 0.237 nan 8.240 nan 0.000 0.509 102 S N -0.623 115.125 115.700 0.081 0.000 2.664 102 S HA 0.515 4.985 4.470 -0.000 0.000 0.245 102 S C -0.080 174.540 174.600 0.033 0.000 1.019 102 S CA -0.901 57.325 58.200 0.044 0.000 0.996 102 S CB -0.281 62.932 63.200 0.022 0.000 0.878 102 S HN 0.489 nan 8.310 nan 0.000 0.493 103 M N 2.122 121.775 119.600 0.088 0.000 2.393 103 M HA 0.481 4.961 4.480 -0.000 0.000 0.316 103 M C -1.808 174.613 176.300 0.202 0.000 1.087 103 M CA -0.406 54.951 55.300 0.096 0.000 0.937 103 M CB 1.752 34.362 32.600 0.016 0.000 1.668 103 M HN 0.046 nan 8.290 nan 0.000 0.438 104 D N 5.216 125.699 120.400 0.138 0.000 2.217 104 D HA 0.537 5.177 4.640 -0.000 0.000 0.248 104 D C -2.395 173.890 176.300 -0.026 0.000 1.008 104 D CA -0.940 53.137 54.000 0.128 0.000 0.914 104 D CB 1.481 42.389 40.800 0.181 0.000 1.182 104 D HN 0.342 nan 8.370 nan 0.000 0.451 105 P HA 0.153 nan 4.420 nan 0.000 0.275 105 P C -1.924 175.270 177.300 -0.176 0.000 1.266 105 P CA -0.954 61.949 63.100 -0.329 0.000 0.793 105 P CB 0.414 31.720 31.700 -0.657 0.000 1.074 106 P HA -0.077 nan 4.420 nan 0.000 0.229 106 P C 1.389 178.671 177.300 -0.029 0.000 1.160 106 P CA 1.012 64.067 63.100 -0.076 0.000 0.777 106 P CB 0.143 31.833 31.700 -0.017 0.000 0.814 107 E N 0.820 121.034 120.200 0.023 0.000 2.058 107 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 107 E C 2.275 178.987 176.600 0.187 0.000 0.997 107 E CA 0.963 57.427 56.400 0.107 0.000 0.801 107 E CB -0.432 29.355 29.700 0.146 0.000 0.746 107 E HN 0.075 nan 8.360 nan 0.000 0.450 108 Q N 0.939 120.810 119.800 0.118 0.000 2.297 108 Q HA -0.250 4.090 4.340 -0.000 0.000 0.208 108 Q C 2.084 178.131 176.000 0.078 0.000 0.981 108 Q CA 1.280 57.163 55.803 0.133 0.000 0.876 108 Q CB -0.133 28.593 28.738 -0.021 0.000 0.921 108 Q HN 0.251 nan 8.270 nan 0.000 0.446 109 R N 0.008 120.498 120.500 -0.017 0.000 2.115 109 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 109 R C 2.387 178.663 176.300 -0.039 0.000 1.133 109 R CA 2.369 58.435 56.100 -0.057 0.000 0.935 109 R CB -0.052 30.201 30.300 -0.078 0.000 0.853 109 R HN 0.410 nan 8.270 nan 0.000 0.433 110 Q N -1.264 118.493 119.800 -0.073 0.000 2.245 110 Q HA -0.100 4.240 4.340 -0.000 0.000 0.201 110 Q C 1.880 177.782 176.000 -0.162 0.000 0.955 110 Q CA 1.008 56.719 55.803 -0.154 0.000 0.870 110 Q CB 0.089 28.675 28.738 -0.252 0.000 0.945 110 Q HN 0.306 nan 8.270 nan 0.000 0.461 111 F N 0.577 120.511 119.950 -0.027 0.000 2.186 111 F HA -0.122 4.405 4.527 -0.000 0.000 0.299 111 F C 2.492 178.285 175.800 -0.012 0.000 1.090 111 F CA 1.094 59.086 58.000 -0.013 0.000 1.307 111 F CB -0.167 38.832 39.000 -0.001 0.000 1.019 111 F HN -0.014 nan 8.300 nan 0.000 0.489 112 R N 0.536 121.131 120.500 0.160 0.000 2.096 112 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 112 R C 2.287 178.608 176.300 0.035 0.000 1.127 112 R CA 1.285 57.430 56.100 0.074 0.000 0.968 112 R CB -0.443 29.862 30.300 0.009 0.000 0.861 112 R HN 0.253 nan 8.270 nan 0.000 0.440 113 A N 0.972 123.794 122.820 0.004 0.000 1.930 113 A HA -0.139 4.180 4.320 -0.000 0.000 0.217 113 A C 1.989 179.567 177.584 -0.010 0.000 1.175 113 A CA 1.091 53.118 52.037 -0.016 0.000 0.627 113 A CB -0.446 18.529 19.000 -0.043 0.000 0.815 113 A HN 0.394 nan 8.150 nan 0.000 0.443 114 L N -0.400 120.820 121.223 -0.006 0.000 2.072 114 L HA 0.093 4.433 4.340 -0.000 0.000 0.205 114 L C 2.573 179.460 176.870 0.030 0.000 1.079 114 L CA 2.094 56.934 54.840 0.000 0.000 0.752 114 L CB -0.791 41.265 42.059 -0.006 0.000 0.906 114 L HN 0.285 nan 8.230 nan 0.000 0.436 115 A N -0.347 122.509 122.820 0.059 0.000 1.972 115 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 115 A C 2.157 179.767 177.584 0.043 0.000 1.169 115 A CA 1.828 53.903 52.037 0.063 0.000 0.635 115 A CB -1.026 18.024 19.000 0.084 0.000 0.810 115 A HN 0.624 nan 8.150 nan 0.000 0.446 116 N N -0.261 118.457 118.700 0.031 0.000 2.244 116 N HA -0.151 4.589 4.740 -0.000 0.000 0.183 116 N C 1.812 177.331 175.510 0.016 0.000 1.016 116 N CA 1.534 54.598 53.050 0.023 0.000 0.866 116 N CB -0.295 38.201 38.487 0.014 0.000 0.980 116 N HN 0.636 nan 8.380 nan 0.000 0.430 117 Q N -0.675 119.130 119.800 0.009 0.000 2.170 117 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 117 Q C 1.766 177.766 176.000 0.001 0.000 0.976 117 Q CA 1.581 57.384 55.803 -0.000 0.000 0.858 117 Q CB 0.094 28.828 28.738 -0.007 0.000 0.907 117 Q HN 0.489 nan 8.270 nan 0.000 0.433 118 V N -3.060 116.859 119.914 0.008 0.000 3.590 118 V HA 0.084 4.204 4.120 -0.000 0.000 0.265 118 V C 1.425 177.526 176.094 0.011 0.000 1.239 118 V CA 0.582 62.884 62.300 0.003 0.000 1.117 118 V CB 0.578 32.404 31.823 0.004 0.000 0.818 118 V HN 0.241 nan 8.190 nan 0.000 0.451 119 V N -2.839 117.090 119.914 0.025 0.000 3.382 119 V HA 0.692 4.812 4.120 -0.000 0.000 0.296 119 V C 1.074 177.191 176.094 0.038 0.000 1.529 119 V CA 0.313 62.633 62.300 0.033 0.000 1.048 119 V CB -0.556 31.297 31.823 0.050 0.000 0.878 119 V HN 0.443 nan 8.190 nan 0.000 0.442 120 G N -0.475 108.348 108.800 0.038 0.000 2.621 120 G HA2 0.351 4.311 3.960 -0.000 0.000 0.271 120 G HA3 0.351 4.311 3.960 -0.000 0.000 0.271 120 G C 0.771 175.705 174.900 0.056 0.000 1.236 120 G CA -0.099 45.040 45.100 0.065 0.000 0.958 120 G HN -0.004 nan 8.290 nan 0.000 0.512 121 M N 0.335 119.964 119.600 0.048 0.000 2.103 121 M HA -0.135 4.344 4.480 -0.000 0.000 0.255 121 M C 0.210 176.484 176.300 -0.043 0.000 1.074 121 M CA 2.106 57.368 55.300 -0.063 0.000 1.090 121 M CB -1.995 30.487 32.600 -0.196 0.000 1.325 121 M HN 0.273 nan 8.290 nan 0.000 0.403 122 P HA -0.142 nan 4.420 nan 0.000 0.213 122 P C 1.830 179.119 177.300 -0.018 0.000 1.176 122 P CA 1.400 64.485 63.100 -0.026 0.000 0.919 122 P CB -0.218 31.470 31.700 -0.020 0.000 0.791 123 V N -0.541 119.366 119.914 -0.011 0.000 2.380 123 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 123 V C 2.482 178.572 176.094 -0.006 0.000 1.063 123 V CA 1.790 64.084 62.300 -0.010 0.000 1.055 123 V CB -1.353 30.465 31.823 -0.009 0.000 0.657 123 V HN -0.035 nan 8.190 nan 0.000 0.455 124 V N 0.369 120.284 119.914 0.001 0.000 2.231 124 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 124 V C 2.339 178.436 176.094 0.006 0.000 1.054 124 V CA 2.478 64.783 62.300 0.009 0.000 1.015 124 V CB -0.799 31.036 31.823 0.020 0.000 0.638 124 V HN 0.583 nan 8.190 nan 0.000 0.444 125 D N -0.274 120.123 120.400 -0.004 0.000 2.158 125 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 125 D C 2.164 178.465 176.300 0.001 0.000 0.995 125 D CA 1.272 55.271 54.000 -0.002 0.000 0.846 125 D CB -0.296 40.497 40.800 -0.011 0.000 0.941 125 D HN 0.375 nan 8.370 nan 0.000 0.456 126 K N 0.700 121.097 120.400 -0.004 0.000 2.365 126 K HA -0.068 4.252 4.320 -0.000 0.000 0.199 126 K C 1.673 178.271 176.600 -0.003 0.000 1.045 126 K CA 0.181 56.465 56.287 -0.005 0.000 0.962 126 K CB 0.108 32.601 32.500 -0.012 0.000 0.759 126 K HN 0.128 nan 8.250 nan 0.000 0.469 127 L N 0.966 122.189 121.223 -0.000 0.000 2.416 127 L HA 0.007 4.347 4.340 -0.000 0.000 0.216 127 L C 2.049 178.930 176.870 0.019 0.000 1.098 127 L CA 0.740 55.580 54.840 0.001 0.000 0.840 127 L CB -0.547 41.507 42.059 -0.008 0.000 0.981 127 L HN 0.149 nan 8.230 nan 0.000 0.462 128 E N 1.104 121.321 120.200 0.029 0.000 2.082 128 E HA -0.299 4.051 4.350 -0.000 0.000 0.215 128 E C 1.749 178.382 176.600 0.055 0.000 1.048 128 E CA 1.938 58.367 56.400 0.048 0.000 0.869 128 E CB -0.513 29.212 29.700 0.041 0.000 0.773 128 E HN 0.643 nan 8.360 nan 0.000 0.466 129 N N 0.773 119.497 118.700 0.040 0.000 2.137 129 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 129 N C 1.561 177.100 175.510 0.049 0.000 1.017 129 N CA 1.181 54.256 53.050 0.042 0.000 0.859 129 N CB -0.318 38.186 38.487 0.027 0.000 1.002 129 N HN 0.049 nan 8.380 nan 0.000 0.428 130 R N 0.719 121.242 120.500 0.039 0.000 2.090 130 R HA 0.173 4.513 4.340 -0.000 0.000 0.228 130 R C 2.504 178.848 176.300 0.073 0.000 1.110 130 R CA 0.409 56.533 56.100 0.039 0.000 0.973 130 R CB -0.851 29.455 30.300 0.011 0.000 0.869 130 R HN 0.407 nan 8.270 nan 0.000 0.440 131 I N 1.043 121.663 120.570 0.083 0.000 2.163 131 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 131 I C 2.679 178.950 176.117 0.257 0.000 1.081 131 I CA 1.361 62.757 61.300 0.160 0.000 1.353 131 I CB -0.381 37.703 38.000 0.139 0.000 1.054 131 I HN 0.092 nan 8.210 nan 0.000 0.407 132 Q N 1.785 121.689 119.800 0.174 0.000 2.045 132 Q HA -0.304 4.036 4.340 -0.000 0.000 0.206 132 Q C 1.916 177.997 176.000 0.134 0.000 0.991 132 Q CA 2.576 58.468 55.803 0.148 0.000 0.851 132 Q CB -0.329 28.468 28.738 0.098 0.000 0.911 132 Q HN 0.547 nan 8.270 nan 0.000 0.418 133 E N -0.364 119.902 120.200 0.109 0.000 2.085 133 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 133 E C 1.819 178.485 176.600 0.109 0.000 0.994 133 E CA 1.448 57.900 56.400 0.088 0.000 0.801 133 E CB -0.729 29.009 29.700 0.064 0.000 0.743 133 E HN 0.422 nan 8.360 nan 0.000 0.453 134 L N 0.500 121.818 121.223 0.159 0.000 2.017 134 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 134 L C 2.420 179.403 176.870 0.188 0.000 1.073 134 L CA 2.160 57.115 54.840 0.192 0.000 0.745 134 L CB -1.609 40.613 42.059 0.271 0.000 0.894 134 L HN 0.377 nan 8.230 nan 0.000 0.432 135 A N -0.955 122.005 122.820 0.233 0.000 1.865 135 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 135 A C 2.531 180.194 177.584 0.132 0.000 1.191 135 A CA 1.966 54.056 52.037 0.089 0.000 0.623 135 A CB -1.270 17.782 19.000 0.086 0.000 0.826 135 A HN 0.580 nan 8.150 nan 0.000 0.444 136 C N -1.248 118.110 119.300 0.096 0.000 2.413 136 C HA -0.091 4.369 4.460 -0.000 0.000 0.277 136 C C 3.288 178.302 174.990 0.041 0.000 1.228 136 C CA 1.408 60.456 59.018 0.050 0.000 1.731 136 C CB -1.290 26.473 27.740 0.039 0.000 2.042 136 C HN 0.698 nan 8.230 nan 0.000 0.468 137 S N 0.252 115.984 115.700 0.053 0.000 2.365 137 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 137 S C 1.761 176.387 174.600 0.044 0.000 1.039 137 S CA 1.640 59.865 58.200 0.041 0.000 1.033 137 S CB -0.360 62.867 63.200 0.046 0.000 0.887 137 S HN 0.597 nan 8.310 nan 0.000 0.447 138 L N 0.680 121.939 121.223 0.061 0.000 2.056 138 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 138 L C 2.387 179.332 176.870 0.125 0.000 1.078 138 L CA 1.283 56.169 54.840 0.078 0.000 0.749 138 L CB -0.428 41.632 42.059 0.001 0.000 0.901 138 L HN 0.386 nan 8.230 nan 0.000 0.433 139 I N -0.537 120.102 120.570 0.116 0.000 2.252 139 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 139 I C 2.536 178.574 176.117 -0.131 0.000 1.102 139 I CA 0.937 62.196 61.300 -0.067 0.000 1.385 139 I CB -0.226 37.670 38.000 -0.173 0.000 1.064 139 I HN 0.253 nan 8.210 nan 0.000 0.414 140 E N 1.343 121.505 120.200 -0.063 0.000 2.153 140 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 140 E C 2.202 178.794 176.600 -0.014 0.000 0.988 140 E CA 1.723 58.092 56.400 -0.052 0.000 0.811 140 E CB -0.180 29.505 29.700 -0.026 0.000 0.746 140 E HN 0.481 nan 8.360 nan 0.000 0.466 141 S N -0.749 114.958 115.700 0.013 0.000 2.453 141 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 141 S C 1.922 176.558 174.600 0.060 0.000 1.005 141 S CA 0.870 59.090 58.200 0.034 0.000 0.949 141 S CB -0.276 62.948 63.200 0.041 0.000 0.774 141 S HN 0.322 nan 8.310 nan 0.000 0.510 142 L N 0.423 121.690 121.223 0.073 0.000 2.221 142 L HA 0.253 4.593 4.340 -0.000 0.000 0.202 142 L C 2.884 179.914 176.870 0.267 0.000 1.074 142 L CA 0.548 55.490 54.840 0.170 0.000 0.795 142 L CB -0.604 41.589 42.059 0.223 0.000 0.960 142 L HN 0.244 nan 8.230 nan 0.000 0.458 143 R N 1.187 121.745 120.500 0.097 0.000 2.191 143 R HA -0.231 4.109 4.340 -0.000 0.000 0.248 143 R C -0.592 175.905 176.300 0.328 0.000 1.127 143 R CA 2.726 58.898 56.100 0.120 0.000 0.943 143 R CB -1.446 28.795 30.300 -0.099 0.000 0.891 143 R HN 0.246 nan 8.270 nan 0.000 0.439 144 P HA -0.104 nan 4.420 nan 0.000 0.226 144 P C 0.485 177.821 177.300 0.061 0.000 1.153 144 P CA 1.289 64.454 63.100 0.107 0.000 0.777 144 P CB -0.040 31.691 31.700 0.053 0.000 0.794 145 Q N -0.639 119.196 119.800 0.057 0.000 2.297 145 Q HA 0.067 4.406 4.340 -0.000 0.000 0.204 145 Q C 1.610 177.442 176.000 -0.279 0.000 0.962 145 Q CA 0.961 56.724 55.803 -0.067 0.000 0.879 145 Q CB -0.490 28.228 28.738 -0.033 0.000 0.947 145 Q HN 0.294 nan 8.270 nan 0.000 0.462 146 G N 1.206 109.693 108.800 -0.522 0.000 2.184 146 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.264 146 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.264 146 G C 0.006 173.930 174.900 -1.626 0.000 0.975 146 G CA 0.806 45.206 45.100 -1.167 0.000 0.642 146 G HN 0.463 nan 8.290 nan 0.000 0.536 147 Q N -1.768 117.185 119.800 -1.411 0.000 2.756 147 Q HA 0.611 4.951 4.340 -0.000 0.000 0.295 147 Q C -0.399 175.432 176.000 -0.282 0.000 0.903 147 Q CA -0.630 54.646 55.803 -0.877 0.000 0.768 147 Q CB 1.699 30.203 28.738 -0.390 0.000 1.472 147 Q HN 1.685 nan 8.270 nan 0.000 0.416 148 C N -0.874 118.459 119.300 0.055 0.000 3.034 148 C HA 0.544 5.004 4.460 -0.000 0.000 0.336 148 C C -1.702 173.420 174.990 0.220 0.000 1.304 148 C CA -0.546 58.598 59.018 0.209 0.000 1.197 148 C CB 0.826 28.819 27.740 0.421 0.000 1.373 148 C HN 1.120 nan 8.230 nan 0.000 0.459 149 N N 0.699 119.502 118.700 0.172 0.000 2.801 149 N HA 0.301 5.041 4.740 -0.000 0.000 0.235 149 N C 0.646 176.255 175.510 0.164 0.000 1.069 149 N CA -0.629 52.508 53.050 0.145 0.000 0.946 149 N CB 0.317 38.853 38.487 0.081 0.000 1.212 149 N HN 0.685 nan 8.380 nan 0.000 0.509 150 F N 3.101 123.101 119.950 0.082 0.000 2.082 150 F HA -0.333 4.194 4.527 -0.000 0.000 0.298 150 F C 1.989 177.813 175.800 0.040 0.000 1.091 150 F CA 2.017 60.036 58.000 0.031 0.000 1.230 150 F CB -0.474 38.431 39.000 -0.159 0.000 0.983 150 F HN 0.395 nan 8.300 nan 0.000 0.485 151 T N -0.212 114.342 114.554 0.001 0.000 2.720 151 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 151 T C 1.853 176.487 174.700 -0.109 0.000 1.037 151 T CA 1.602 63.653 62.100 -0.082 0.000 1.144 151 T CB -0.263 68.599 68.868 -0.010 0.000 0.864 151 T HN 0.262 nan 8.240 nan 0.000 0.444 152 E N 1.049 121.220 120.200 -0.049 0.000 2.051 152 E HA -0.069 4.281 4.350 -0.000 0.000 0.189 152 E C 1.876 178.453 176.600 -0.039 0.000 0.979 152 E CA 0.892 57.273 56.400 -0.031 0.000 0.803 152 E CB -0.189 29.514 29.700 0.004 0.000 0.761 152 E HN 0.486 nan 8.360 nan 0.000 0.451 153 D N -1.256 119.133 120.400 -0.019 0.000 2.347 153 D HA -0.075 4.565 4.640 -0.000 0.000 0.213 153 D C 1.252 177.552 176.300 0.001 0.000 0.985 153 D CA 0.577 54.588 54.000 0.018 0.000 0.879 153 D CB 0.295 41.157 40.800 0.104 0.000 0.919 153 D HN 0.222 nan 8.370 nan 0.000 0.526 154 Y N 0.171 120.288 120.300 -0.305 0.000 2.965 154 Y HA 0.368 4.918 4.550 -0.000 0.000 0.242 154 Y C 2.048 177.708 175.900 -0.400 0.000 1.078 154 Y CA 0.536 58.409 58.100 -0.378 0.000 1.288 154 Y CB -0.191 37.951 38.460 -0.531 0.000 1.459 154 Y HN -0.143 nan 8.280 nan 0.000 0.438 155 A N 1.038 123.615 122.820 -0.405 0.000 1.902 155 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 155 A C 1.938 179.485 177.584 -0.063 0.000 1.181 155 A CA 2.025 53.966 52.037 -0.159 0.000 0.623 155 A CB -0.507 18.390 19.000 -0.171 0.000 0.818 155 A HN 0.561 nan 8.150 nan 0.000 0.443 156 E N -0.589 119.552 120.200 -0.098 0.000 2.015 156 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 156 E C -0.451 176.126 176.600 -0.039 0.000 0.991 156 E CA 1.618 57.987 56.400 -0.052 0.000 0.802 156 E CB -1.386 28.285 29.700 -0.049 0.000 0.759 156 E HN 0.554 nan 8.360 nan 0.000 0.447 157 P HA -0.098 nan 4.420 nan 0.000 0.233 157 P C 1.394 178.687 177.300 -0.012 0.000 1.167 157 P CA 0.660 63.736 63.100 -0.040 0.000 0.770 157 P CB -0.106 31.564 31.700 -0.050 0.000 0.837 158 F N 2.800 122.596 119.950 -0.256 0.000 2.039 158 F HA 0.041 4.568 4.527 -0.000 0.000 0.294 158 F C -0.805 174.940 175.800 -0.092 0.000 1.130 158 F CA 1.071 58.916 58.000 -0.259 0.000 1.189 158 F CB -1.842 36.908 39.000 -0.416 0.000 0.983 158 F HN -0.039 nan 8.300 nan 0.000 0.471 159 P HA -0.160 nan 4.420 nan 0.000 0.216 159 P C 1.975 179.234 177.300 -0.070 0.000 1.153 159 P CA 2.529 65.532 63.100 -0.162 0.000 0.848 159 P CB -0.318 31.362 31.700 -0.033 0.000 0.787 160 I N -1.442 119.113 120.570 -0.024 0.000 2.163 160 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 160 I C 2.352 178.505 176.117 0.060 0.000 1.085 160 I CA 1.639 62.959 61.300 0.033 0.000 1.347 160 I CB -0.977 37.030 38.000 0.011 0.000 1.044 160 I HN -0.177 nan 8.210 nan 0.000 0.408 161 R N 0.779 121.276 120.500 -0.004 0.000 2.096 161 R HA -0.093 4.246 4.340 -0.000 0.000 0.235 161 R C 2.392 178.668 176.300 -0.039 0.000 1.127 161 R CA 1.259 57.353 56.100 -0.010 0.000 0.968 161 R CB -0.273 30.019 30.300 -0.012 0.000 0.861 161 R HN 0.365 nan 8.270 nan 0.000 0.440 162 I N -0.000 120.507 120.570 -0.104 0.000 2.202 162 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 162 I C 2.197 178.290 176.117 -0.040 0.000 1.091 162 I CA 1.189 62.414 61.300 -0.124 0.000 1.368 162 I CB -0.982 36.872 38.000 -0.244 0.000 1.058 162 I HN 0.059 nan 8.210 nan 0.000 0.410 163 F N 1.705 121.597 119.950 -0.096 0.000 2.134 163 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 163 F C 2.544 178.326 175.800 -0.029 0.000 1.097 163 F CA 1.545 59.512 58.000 -0.055 0.000 1.264 163 F CB -0.136 38.837 39.000 -0.044 0.000 1.001 163 F HN -0.074 nan 8.300 nan 0.000 0.479 164 M N 0.108 119.693 119.600 -0.024 0.000 2.108 164 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 164 M C 2.350 178.555 176.300 -0.159 0.000 1.066 164 M CA 1.588 56.842 55.300 -0.076 0.000 1.107 164 M CB -1.608 31.010 32.600 0.031 0.000 1.356 164 M HN 0.255 nan 8.290 nan 0.000 0.406 165 L N -0.758 120.391 121.223 -0.124 0.000 2.093 165 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 165 L C 2.481 179.255 176.870 -0.160 0.000 1.085 165 L CA 0.492 55.266 54.840 -0.109 0.000 0.755 165 L CB -0.761 41.254 42.059 -0.073 0.000 0.904 165 L HN 0.218 nan 8.230 nan 0.000 0.435 166 L N 0.345 121.427 121.223 -0.236 0.000 2.027 166 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 166 L C 2.410 179.081 176.870 -0.331 0.000 1.074 166 L CA 2.059 56.741 54.840 -0.263 0.000 0.745 166 L CB -0.640 41.247 42.059 -0.286 0.000 0.898 166 L HN 0.143 nan 8.230 nan 0.000 0.433 167 A N -1.275 121.215 122.820 -0.550 0.000 2.251 167 A HA 0.388 4.708 4.320 -0.000 0.000 0.209 167 A C 1.460 178.911 177.584 -0.223 0.000 1.187 167 A CA 0.499 52.271 52.037 -0.442 0.000 0.823 167 A CB -1.011 17.567 19.000 -0.703 0.000 0.846 167 A HN 0.701 nan 8.150 nan 0.000 0.486 168 G N -0.331 108.359 108.800 -0.183 0.000 2.338 168 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.296 168 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.296 168 G C -0.100 174.767 174.900 -0.055 0.000 1.040 168 G CA 0.590 45.632 45.100 -0.097 0.000 1.004 168 G HN 0.471 nan 8.290 nan 0.000 0.509 169 L N -0.364 120.833 121.223 -0.044 0.000 2.352 169 L HA 0.534 4.874 4.340 -0.000 0.000 0.269 169 L C -1.838 175.059 176.870 0.045 0.000 1.034 169 L CA -2.554 52.307 54.840 0.036 0.000 0.806 169 L CB 1.610 43.738 42.059 0.114 0.000 1.244 169 L HN -0.079 nan 8.230 nan 0.000 0.447 170 P HA 0.051 nan 4.420 nan 0.000 0.271 170 P C 0.037 177.376 177.300 0.066 0.000 1.226 170 P CA -0.358 62.778 63.100 0.059 0.000 0.765 170 P CB 0.472 32.212 31.700 0.067 0.000 0.835 171 E N 1.624 121.850 120.200 0.044 0.000 2.267 171 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 171 E C 0.662 177.290 176.600 0.047 0.000 0.998 171 E CA 1.186 57.611 56.400 0.042 0.000 0.830 171 E CB -0.361 29.355 29.700 0.027 0.000 0.751 171 E HN 0.359 nan 8.360 nan 0.000 0.491 172 E N 1.339 121.569 120.200 0.050 0.000 2.153 172 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 172 E C 1.270 177.911 176.600 0.069 0.000 0.988 172 E CA 1.338 57.767 56.400 0.049 0.000 0.811 172 E CB -0.086 29.640 29.700 0.043 0.000 0.746 172 E HN 0.369 nan 8.360 nan 0.000 0.466 173 D N -0.180 120.280 120.400 0.100 0.000 2.363 173 D HA 0.006 4.646 4.640 -0.000 0.000 0.220 173 D C 1.688 178.038 176.300 0.083 0.000 0.994 173 D CA 0.170 54.250 54.000 0.134 0.000 0.890 173 D CB 0.034 40.970 40.800 0.226 0.000 0.906 173 D HN 0.243 nan 8.370 nan 0.000 0.530 174 I N 2.198 122.805 120.570 0.062 0.000 2.118 174 I HA -0.240 3.930 4.170 -0.000 0.000 0.241 174 I C -0.388 175.745 176.117 0.027 0.000 1.070 174 I CA 1.456 62.777 61.300 0.036 0.000 1.327 174 I CB -1.539 36.482 38.000 0.034 0.000 1.034 174 I HN 0.048 nan 8.210 nan 0.000 0.405 175 P HA -0.218 nan 4.420 nan 0.000 0.217 175 P C 1.333 178.688 177.300 0.092 0.000 1.150 175 P CA 1.889 65.020 63.100 0.052 0.000 0.832 175 P CB -0.223 31.502 31.700 0.041 0.000 0.787 176 H N 0.190 119.254 119.070 -0.011 0.000 2.326 176 H HA 0.004 4.560 4.556 -0.000 0.000 0.301 176 H C 2.126 177.430 175.328 -0.041 0.000 1.081 176 H CA 1.289 57.336 56.048 -0.002 0.000 1.334 176 H CB -1.052 28.696 29.762 -0.023 0.000 1.385 176 H HN -0.075 nan 8.280 nan 0.000 0.504 177 L N -0.071 120.997 121.223 -0.259 0.000 2.083 177 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 177 L C 2.452 179.185 176.870 -0.228 0.000 1.083 177 L CA 1.646 56.248 54.840 -0.396 0.000 0.752 177 L CB -0.280 41.591 42.059 -0.313 0.000 0.899 177 L HN 0.229 nan 8.230 nan 0.000 0.433 178 K N -0.457 119.881 120.400 -0.104 0.000 2.097 178 K HA -0.265 4.055 4.320 -0.000 0.000 0.206 178 K C 2.028 178.605 176.600 -0.039 0.000 1.049 178 K CA 1.561 57.813 56.287 -0.059 0.000 0.933 178 K CB -0.503 31.991 32.500 -0.011 0.000 0.717 178 K HN 0.276 nan 8.250 nan 0.000 0.442 179 Y N 0.497 120.718 120.300 -0.133 0.000 2.242 179 Y HA -0.079 4.471 4.550 0.000 0.000 0.291 179 Y C 1.441 177.251 175.900 -0.151 0.000 1.137 179 Y CA 1.499 59.533 58.100 -0.109 0.000 1.181 179 Y CB -0.059 38.361 38.460 -0.066 0.000 0.989 179 Y HN 0.008 nan 8.280 nan 0.000 0.527 180 L N -0.401 120.615 121.223 -0.344 0.000 2.044 180 L HA -0.177 4.163 4.340 -0.000 0.000 0.205 180 L C 2.660 179.340 176.870 -0.316 0.000 1.075 180 L CA 1.923 56.513 54.840 -0.417 0.000 0.747 180 L CB -1.136 40.687 42.059 -0.394 0.000 0.903 180 L HN 0.358 nan 8.230 nan 0.000 0.435 181 T N -3.871 110.541 114.554 -0.237 0.000 2.777 181 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 181 T C 1.471 176.086 174.700 -0.142 0.000 1.040 181 T CA 1.369 63.371 62.100 -0.164 0.000 1.141 181 T CB -0.414 68.371 68.868 -0.139 0.000 0.868 181 T HN 0.139 nan 8.240 nan 0.000 0.444 182 D N 2.170 122.480 120.400 -0.150 0.000 2.123 182 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 182 D C 2.365 178.581 176.300 -0.140 0.000 0.992 182 D CA 1.646 55.576 54.000 -0.117 0.000 0.833 182 D CB -0.389 40.358 40.800 -0.088 0.000 0.954 182 D HN 0.838 nan 8.370 nan 0.000 0.455 183 Q N -0.672 118.984 119.800 -0.240 0.000 2.488 183 Q HA -0.035 4.305 4.340 -0.000 0.000 0.211 183 Q C 1.855 177.759 176.000 -0.161 0.000 0.967 183 Q CA 0.645 56.313 55.803 -0.225 0.000 0.926 183 Q CB -0.051 28.469 28.738 -0.364 0.000 0.992 183 Q HN 0.333 nan 8.270 nan 0.000 0.506 184 M N 0.962 120.475 119.600 -0.145 0.000 2.557 184 M HA -0.024 4.456 4.480 -0.000 0.000 0.262 184 M C 1.706 178.014 176.300 0.013 0.000 1.168 184 M CA 1.694 56.937 55.300 -0.096 0.000 1.194 184 M CB 0.393 32.912 32.600 -0.135 0.000 1.311 184 M HN 0.336 nan 8.290 nan 0.000 0.489 185 T N -1.795 112.759 114.554 -0.001 0.000 3.067 185 T HA 0.154 4.504 4.350 -0.000 0.000 0.257 185 T C 0.817 175.518 174.700 0.002 0.000 1.105 185 T CA 0.055 62.166 62.100 0.017 0.000 1.104 185 T CB -0.166 68.708 68.868 0.011 0.000 0.925 185 T HN 0.391 nan 8.240 nan 0.000 0.498 186 R N 2.344 122.834 120.500 -0.016 0.000 2.835 186 R HA 0.313 4.653 4.340 -0.000 0.000 0.290 186 R C -2.736 173.551 176.300 -0.021 0.000 1.410 186 R CA -1.589 54.504 56.100 -0.012 0.000 1.590 186 R CB 0.623 30.912 30.300 -0.017 0.000 1.288 186 R HN 0.384 nan 8.270 nan 0.000 0.637 187 P HA -0.041 nan 4.420 nan 0.000 0.265 187 P C -0.356 176.927 177.300 -0.027 0.000 1.193 187 P CA 0.313 63.397 63.100 -0.028 0.000 0.765 187 P CB 0.920 32.605 31.700 -0.024 0.000 0.823 188 D N 1.221 121.605 120.400 -0.026 0.000 2.433 188 D HA 0.104 4.744 4.640 -0.000 0.000 0.211 188 D C 1.232 177.520 176.300 -0.020 0.000 1.114 188 D CA 0.320 54.309 54.000 -0.018 0.000 0.837 188 D CB -0.073 40.722 40.800 -0.009 0.000 0.984 188 D HN 0.614 nan 8.370 nan 0.000 0.505 189 G N 0.811 109.595 108.800 -0.026 0.000 2.195 189 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.224 189 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.224 189 G C 1.186 176.076 174.900 -0.016 0.000 0.990 189 G CA 0.668 45.753 45.100 -0.025 0.000 0.639 189 G HN 0.560 nan 8.290 nan 0.000 0.514 190 S N -0.666 115.026 115.700 -0.013 0.000 2.436 190 S HA 0.470 4.940 4.470 -0.000 0.000 0.228 190 S C 1.061 175.655 174.600 -0.010 0.000 1.014 190 S CA 1.037 59.233 58.200 -0.007 0.000 0.950 190 S CB 0.081 63.281 63.200 -0.001 0.000 0.784 190 S HN 0.518 nan 8.310 nan 0.000 0.504 191 M N 2.218 121.806 119.600 -0.020 0.000 2.530 191 M HA 0.373 4.853 4.480 -0.000 0.000 0.307 191 M C -0.310 175.983 176.300 -0.011 0.000 1.161 191 M CA -0.669 54.617 55.300 -0.023 0.000 0.903 191 M CB 2.441 35.011 32.600 -0.050 0.000 1.711 191 M HN 0.211 nan 8.290 nan 0.000 0.451 192 T N -1.475 113.079 114.554 0.000 0.000 2.828 192 T HA 0.216 4.566 4.350 -0.000 0.000 0.290 192 T C 0.746 175.476 174.700 0.048 0.000 1.019 192 T CA -0.476 61.645 62.100 0.036 0.000 1.031 192 T CB 0.770 69.664 68.868 0.044 0.000 1.001 192 T HN 0.614 nan 8.240 nan 0.000 0.531 193 F N 1.587 121.518 119.950 -0.031 0.000 2.126 193 F HA -0.023 4.505 4.527 0.000 0.000 0.299 193 F C 2.552 178.337 175.800 -0.024 0.000 1.096 193 F CA 1.879 59.861 58.000 -0.030 0.000 1.255 193 F CB -0.882 38.114 39.000 -0.008 0.000 0.997 193 F HN 0.755 nan 8.300 nan 0.000 0.479 194 A N 0.326 123.140 122.820 -0.010 0.000 1.892 194 A HA -0.265 4.054 4.320 -0.000 0.000 0.218 194 A C 2.073 179.568 177.584 -0.148 0.000 1.188 194 A CA 2.119 54.107 52.037 -0.082 0.000 0.631 194 A CB -1.047 17.986 19.000 0.055 0.000 0.822 194 A HN 0.601 nan 8.150 nan 0.000 0.447 195 E N -0.323 119.821 120.200 -0.092 0.000 2.058 195 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 195 E C 2.341 178.855 176.600 -0.143 0.000 0.997 195 E CA 1.036 57.388 56.400 -0.080 0.000 0.801 195 E CB -0.348 29.326 29.700 -0.044 0.000 0.746 195 E HN 0.631 nan 8.360 nan 0.000 0.450 196 A N 1.699 124.390 122.820 -0.215 0.000 1.908 196 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 196 A C 2.080 179.461 177.584 -0.337 0.000 1.181 196 A CA 1.813 53.691 52.037 -0.265 0.000 0.627 196 A CB -0.435 18.395 19.000 -0.285 0.000 0.818 196 A HN 0.087 nan 8.150 nan 0.000 0.445 197 K N -0.627 119.474 120.400 -0.498 0.000 2.032 197 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 197 K C 1.938 178.312 176.600 -0.377 0.000 1.048 197 K CA 1.609 57.555 56.287 -0.568 0.000 0.927 197 K CB -0.113 31.983 32.500 -0.674 0.000 0.712 197 K HN 0.380 nan 8.250 nan 0.000 0.441 198 E N 0.390 120.508 120.200 -0.138 0.000 2.058 198 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 198 E C 1.978 178.607 176.600 0.049 0.000 0.997 198 E CA 1.321 57.755 56.400 0.057 0.000 0.801 198 E CB -0.462 29.272 29.700 0.056 0.000 0.746 198 E HN 0.435 nan 8.360 nan 0.000 0.450 199 A N 1.427 124.233 122.820 -0.023 0.000 1.883 199 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 199 A C 2.279 179.873 177.584 0.017 0.000 1.186 199 A CA 1.631 53.672 52.037 0.007 0.000 0.624 199 A CB -0.729 18.245 19.000 -0.043 0.000 0.822 199 A HN 0.260 nan 8.150 nan 0.000 0.444 200 L N -1.479 119.695 121.223 -0.083 0.000 2.012 200 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 200 L C 2.306 179.235 176.870 0.099 0.000 1.073 200 L CA 2.015 56.814 54.840 -0.069 0.000 0.748 200 L CB -1.045 40.899 42.059 -0.192 0.000 0.891 200 L HN 0.452 nan 8.230 nan 0.000 0.431 201 Y N 0.462 120.801 120.300 0.065 0.000 2.207 201 Y HA -0.240 4.310 4.550 -0.000 0.000 0.287 201 Y C 2.524 178.471 175.900 0.078 0.000 1.156 201 Y CA 1.297 59.437 58.100 0.067 0.000 1.182 201 Y CB -1.096 37.391 38.460 0.045 0.000 0.979 201 Y HN 0.331 nan 8.280 nan 0.000 0.521 202 D N -1.396 119.151 120.400 0.246 0.000 2.228 202 D HA -0.237 4.403 4.640 -0.000 0.000 0.203 202 D C 1.956 178.374 176.300 0.197 0.000 0.988 202 D CA 1.297 55.405 54.000 0.180 0.000 0.864 202 D CB -0.508 40.387 40.800 0.157 0.000 0.928 202 D HN 0.467 nan 8.370 nan 0.000 0.469 203 Y N 0.881 121.253 120.300 0.120 0.000 2.243 203 Y HA -0.007 4.542 4.550 -0.000 0.000 0.293 203 Y C 2.138 178.103 175.900 0.109 0.000 1.124 203 Y CA 0.962 59.139 58.100 0.128 0.000 1.159 203 Y CB -0.264 38.260 38.460 0.108 0.000 1.008 203 Y HN -0.134 nan 8.280 nan 0.000 0.527 204 L N -0.381 120.923 121.223 0.135 0.000 2.072 204 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 204 L C 2.371 179.227 176.870 -0.023 0.000 1.079 204 L CA 1.005 55.868 54.840 0.038 0.000 0.752 204 L CB -0.554 41.620 42.059 0.191 0.000 0.906 204 L HN 0.243 nan 8.230 nan 0.000 0.436 205 I N 0.512 121.093 120.570 0.017 0.000 2.091 205 I HA -0.301 3.869 4.170 -0.000 0.000 0.240 205 I C -0.151 175.940 176.117 -0.044 0.000 1.046 205 I CA 1.997 63.287 61.300 -0.017 0.000 1.306 205 I CB -1.717 36.282 38.000 -0.001 0.000 1.018 205 I HN 0.271 nan 8.210 nan 0.000 0.404 206 P HA -0.155 nan 4.420 nan 0.000 0.217 206 P C 1.890 179.138 177.300 -0.088 0.000 1.150 206 P CA 1.787 64.847 63.100 -0.068 0.000 0.832 206 P CB -0.137 31.521 31.700 -0.069 0.000 0.787 207 I N -0.560 119.928 120.570 -0.137 0.000 2.286 207 I HA -0.205 3.964 4.170 -0.000 0.000 0.248 207 I C 2.642 178.718 176.117 -0.069 0.000 1.115 207 I CA 1.323 62.547 61.300 -0.127 0.000 1.392 207 I CB -0.534 37.351 38.000 -0.191 0.000 1.065 207 I HN -0.157 nan 8.210 nan 0.000 0.418 208 I N 0.433 120.971 120.570 -0.054 0.000 2.315 208 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 208 I C 2.632 178.730 176.117 -0.031 0.000 1.117 208 I CA 1.178 62.459 61.300 -0.032 0.000 1.404 208 I CB -0.344 37.641 38.000 -0.025 0.000 1.071 208 I HN 0.286 nan 8.210 nan 0.000 0.419 209 E N 0.969 121.147 120.200 -0.036 0.000 2.051 209 E HA -0.284 4.065 4.350 -0.000 0.000 0.192 209 E C 2.158 178.741 176.600 -0.028 0.000 0.991 209 E CA 1.497 57.880 56.400 -0.030 0.000 0.799 209 E CB 0.042 29.724 29.700 -0.030 0.000 0.748 209 E HN 0.553 nan 8.360 nan 0.000 0.449 210 Q N -0.274 119.506 119.800 -0.034 0.000 2.050 210 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 210 Q C 2.247 178.231 176.000 -0.027 0.000 0.980 210 Q CA 1.090 56.874 55.803 -0.031 0.000 0.840 210 Q CB -0.089 28.627 28.738 -0.037 0.000 0.898 210 Q HN 0.098 nan 8.270 nan 0.000 0.424 211 R N 0.704 121.187 120.500 -0.028 0.000 2.189 211 R HA -0.037 4.303 4.340 -0.000 0.000 0.223 211 R C 1.931 178.219 176.300 -0.020 0.000 1.092 211 R CA 0.988 57.074 56.100 -0.024 0.000 0.989 211 R CB -0.290 29.996 30.300 -0.024 0.000 0.876 211 R HN 0.291 nan 8.270 nan 0.000 0.457 212 R N 0.213 120.702 120.500 -0.019 0.000 2.119 212 R HA -0.019 4.321 4.340 -0.000 0.000 0.222 212 R C 2.295 178.585 176.300 -0.016 0.000 1.088 212 R CA 0.866 56.956 56.100 -0.016 0.000 0.984 212 R CB -0.043 30.248 30.300 -0.016 0.000 0.884 212 R HN 0.273 nan 8.270 nan 0.000 0.447 213 Q N 0.993 120.783 119.800 -0.017 0.000 2.089 213 Q HA -0.031 4.309 4.340 -0.000 0.000 0.195 213 Q C -0.071 175.920 176.000 -0.015 0.000 0.963 213 Q CA 1.125 56.919 55.803 -0.015 0.000 0.834 213 Q CB 0.540 29.268 28.738 -0.015 0.000 0.906 213 Q HN 0.033 nan 8.270 nan 0.000 0.452 214 K N 2.391 122.781 120.400 -0.017 0.000 2.624 214 K HA 0.381 4.701 4.320 -0.000 0.000 0.200 214 K C -2.571 174.018 176.600 -0.018 0.000 1.036 214 K CA -1.679 54.598 56.287 -0.016 0.000 1.029 214 K CB 1.870 34.361 32.500 -0.016 0.000 1.317 214 K HN 0.217 nan 8.250 nan 0.000 0.555 215 P HA 0.082 nan 4.420 nan 0.000 0.276 215 P C -0.115 177.173 177.300 -0.020 0.000 1.230 215 P CA -0.012 63.076 63.100 -0.019 0.000 0.776 215 P CB 1.706 33.395 31.700 -0.018 0.000 0.888 216 G N 1.385 110.172 108.800 -0.022 0.000 2.849 216 G HA2 0.373 4.333 3.960 -0.000 0.000 0.174 216 G HA3 0.373 4.333 3.960 -0.000 0.000 0.174 216 G C 0.110 174.994 174.900 -0.025 0.000 1.370 216 G CA -0.227 44.859 45.100 -0.023 0.000 1.040 216 G HN 0.393 nan 8.290 nan 0.000 0.582 217 T N 0.976 115.512 114.554 -0.029 0.000 3.132 217 T HA 0.198 4.548 4.350 -0.000 0.000 0.274 217 T C 0.168 174.845 174.700 -0.039 0.000 1.011 217 T CA -0.154 61.928 62.100 -0.030 0.000 0.899 217 T CB -0.159 68.692 68.868 -0.027 0.000 1.089 217 T HN 0.648 nan 8.240 nan 0.000 0.543 218 D N 0.957 121.329 120.400 -0.046 0.000 2.377 218 D HA 0.295 4.935 4.640 -0.000 0.000 0.245 218 D C 1.460 177.721 176.300 -0.065 0.000 1.196 218 D CA -0.270 53.690 54.000 -0.067 0.000 0.962 218 D CB 1.295 42.050 40.800 -0.075 0.000 1.127 218 D HN 0.049 nan 8.370 nan 0.000 0.471 219 A N 1.197 123.962 122.820 -0.092 0.000 1.940 219 A HA -0.159 4.160 4.320 -0.000 0.000 0.219 219 A C 2.365 179.925 177.584 -0.040 0.000 1.176 219 A CA 1.154 53.149 52.037 -0.070 0.000 0.631 219 A CB -0.776 18.161 19.000 -0.105 0.000 0.814 219 A HN 0.669 nan 8.150 nan 0.000 0.446 220 I N -0.466 120.076 120.570 -0.047 0.000 2.315 220 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 220 I C 2.595 178.705 176.117 -0.012 0.000 1.117 220 I CA 1.364 62.657 61.300 -0.012 0.000 1.404 220 I CB -0.293 37.702 38.000 -0.008 0.000 1.071 220 I HN 0.214 nan 8.210 nan 0.000 0.419 221 S N 0.859 116.545 115.700 -0.023 0.000 2.383 221 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 221 S C 2.006 176.597 174.600 -0.016 0.000 1.026 221 S CA 1.154 59.343 58.200 -0.020 0.000 0.981 221 S CB -0.233 62.952 63.200 -0.025 0.000 0.818 221 S HN 0.330 nan 8.310 nan 0.000 0.472 222 I N 0.964 121.524 120.570 -0.017 0.000 2.202 222 I HA -0.133 4.037 4.170 -0.000 0.000 0.242 222 I C 2.178 178.293 176.117 -0.004 0.000 1.091 222 I CA 0.888 62.181 61.300 -0.013 0.000 1.368 222 I CB -0.495 37.496 38.000 -0.016 0.000 1.058 222 I HN 0.145 nan 8.210 nan 0.000 0.410 223 V N 1.161 121.079 119.914 0.006 0.000 2.261 223 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 223 V C 2.699 178.806 176.094 0.022 0.000 1.047 223 V CA 2.049 64.363 62.300 0.023 0.000 1.015 223 V CB -1.020 30.826 31.823 0.037 0.000 0.642 223 V HN 0.500 nan 8.190 nan 0.000 0.446 224 A N 0.112 122.939 122.820 0.012 0.000 2.070 224 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 224 A C 1.695 179.280 177.584 0.001 0.000 1.159 224 A CA 2.086 54.127 52.037 0.007 0.000 0.656 224 A CB -0.616 18.383 19.000 -0.002 0.000 0.800 224 A HN 0.699 nan 8.150 nan 0.000 0.453 225 N N -0.897 117.801 118.700 -0.004 0.000 2.204 225 N HA 0.299 5.039 4.740 -0.000 0.000 0.219 225 N C 0.607 176.108 175.510 -0.015 0.000 1.151 225 N CA 0.381 53.425 53.050 -0.010 0.000 0.867 225 N CB 0.746 39.225 38.487 -0.014 0.000 1.043 225 N HN 0.383 nan 8.380 nan 0.000 0.516 226 G N -0.166 108.626 108.800 -0.013 0.000 2.572 226 G HA2 0.222 4.182 3.960 -0.000 0.000 0.261 226 G HA3 0.222 4.182 3.960 -0.000 0.000 0.261 226 G C -0.309 174.564 174.900 -0.045 0.000 1.197 226 G CA -0.295 44.789 45.100 -0.027 0.000 0.870 226 G HN -0.008 nan 8.290 nan 0.000 0.548 227 Q N -0.311 119.449 119.800 -0.066 0.000 2.307 227 Q HA 0.462 4.802 4.340 -0.000 0.000 0.262 227 Q C -0.222 175.690 176.000 -0.147 0.000 0.961 227 Q CA -0.606 55.145 55.803 -0.087 0.000 0.882 227 Q CB 1.840 30.536 28.738 -0.070 0.000 1.264 227 Q HN 0.572 nan 8.270 nan 0.000 0.446 228 V N -0.251 119.542 119.914 -0.201 0.000 2.709 228 V HA 0.514 4.633 4.120 -0.000 0.000 0.308 228 V C 0.076 176.003 176.094 -0.278 0.000 1.062 228 V CA -1.053 61.036 62.300 -0.353 0.000 0.901 228 V CB 1.878 33.266 31.823 -0.725 0.000 1.003 228 V HN 0.825 nan 8.190 nan 0.000 0.425 229 N N 2.888 121.437 118.700 -0.252 0.000 2.707 229 N HA -0.219 4.521 4.740 -0.000 0.000 0.253 229 N C 1.214 176.664 175.510 -0.099 0.000 0.998 229 N CA 1.728 54.685 53.050 -0.154 0.000 0.751 229 N CB -1.110 37.295 38.487 -0.138 0.000 0.920 229 N HN 2.195 nan 8.380 nan 0.000 0.539 230 G N -1.042 107.704 108.800 -0.091 0.000 2.143 230 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.248 230 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.248 230 G C 0.099 174.967 174.900 -0.054 0.000 0.991 230 G CA 1.062 46.125 45.100 -0.062 0.000 0.689 230 G HN 0.949 nan 8.290 nan 0.000 0.522 231 R N -2.330 118.131 120.500 -0.066 0.000 2.690 231 R HA 0.681 5.021 4.340 -0.000 0.000 0.269 231 R C -3.533 172.735 176.300 -0.053 0.000 1.037 231 R CA -2.159 53.912 56.100 -0.048 0.000 0.877 231 R CB -0.345 29.936 30.300 -0.031 0.000 1.255 231 R HN 0.016 nan 8.270 nan 0.000 0.467 232 P HA 0.080 nan 4.420 nan 0.000 0.265 232 P C -0.240 177.052 177.300 -0.014 0.000 1.193 232 P CA -0.176 62.908 63.100 -0.027 0.000 0.765 232 P CB 0.443 32.133 31.700 -0.017 0.000 0.823 233 I N 3.012 123.577 120.570 -0.009 0.000 2.692 233 I HA 0.048 4.218 4.170 -0.000 0.000 0.284 233 I C 0.716 176.857 176.117 0.040 0.000 1.159 233 I CA 0.052 61.374 61.300 0.037 0.000 1.423 233 I CB 0.692 38.726 38.000 0.058 0.000 1.380 233 I HN 0.391 nan 8.210 nan 0.000 0.580 234 T N 2.532 117.121 114.554 0.058 0.000 2.882 234 T HA 0.169 4.519 4.350 -0.000 0.000 0.287 234 T C 1.098 175.806 174.700 0.013 0.000 1.014 234 T CA -0.426 61.691 62.100 0.028 0.000 1.049 234 T CB 1.499 70.381 68.868 0.025 0.000 1.001 234 T HN 0.685 nan 8.240 nan 0.000 0.525 235 S N 0.645 116.340 115.700 -0.008 0.000 2.370 235 S HA -0.143 4.327 4.470 -0.000 0.000 0.226 235 S C 1.701 176.272 174.600 -0.049 0.000 1.033 235 S CA 1.629 59.814 58.200 -0.025 0.000 1.011 235 S CB -0.685 62.496 63.200 -0.031 0.000 0.852 235 S HN 0.987 nan 8.310 nan 0.000 0.457 236 D N 0.939 121.303 120.400 -0.060 0.000 2.123 236 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 236 D C 1.892 178.129 176.300 -0.105 0.000 0.992 236 D CA 1.345 55.281 54.000 -0.106 0.000 0.833 236 D CB -0.065 40.682 40.800 -0.088 0.000 0.954 236 D HN 0.499 nan 8.370 nan 0.000 0.455 237 E N -0.119 120.057 120.200 -0.040 0.000 2.072 237 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 237 E C 2.224 178.822 176.600 -0.003 0.000 0.982 237 E CA 0.790 57.177 56.400 -0.022 0.000 0.803 237 E CB -0.176 29.585 29.700 0.102 0.000 0.755 237 E HN 0.361 nan 8.360 nan 0.000 0.453 238 A N 2.197 125.028 122.820 0.019 0.000 1.883 238 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 238 A C 2.111 179.689 177.584 -0.011 0.000 1.186 238 A CA 1.869 53.919 52.037 0.022 0.000 0.624 238 A CB -0.496 18.513 19.000 0.015 0.000 0.822 238 A HN 0.107 nan 8.150 nan 0.000 0.444 239 K N -0.347 120.021 120.400 -0.053 0.000 2.032 239 K HA -0.191 4.128 4.320 -0.000 0.000 0.209 239 K C 2.165 178.737 176.600 -0.045 0.000 1.048 239 K CA 1.690 57.934 56.287 -0.072 0.000 0.927 239 K CB -0.234 32.142 32.500 -0.206 0.000 0.712 239 K HN 0.428 nan 8.250 nan 0.000 0.441 240 R N 0.003 120.446 120.500 -0.096 0.000 2.193 240 R HA -0.072 4.268 4.340 -0.000 0.000 0.229 240 R C 2.298 178.537 176.300 -0.101 0.000 1.110 240 R CA 1.462 57.554 56.100 -0.014 0.000 0.988 240 R CB -0.137 30.139 30.300 -0.041 0.000 0.871 240 R HN 0.380 nan 8.270 nan 0.000 0.458 241 M N -0.673 118.879 119.600 -0.080 0.000 2.325 241 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 241 M C 1.775 178.018 176.300 -0.096 0.000 1.094 241 M CA 1.275 56.535 55.300 -0.067 0.000 1.161 241 M CB 0.191 32.806 32.600 0.024 0.000 1.358 241 M HN 0.193 nan 8.290 nan 0.000 0.446 242 C N 0.666 119.936 119.300 -0.049 0.000 2.435 242 C HA -0.019 4.441 4.460 -0.000 0.000 0.279 242 C C 2.717 177.629 174.990 -0.129 0.000 1.321 242 C CA 0.918 59.937 59.018 0.003 0.000 1.752 242 C CB -1.890 25.895 27.740 0.075 0.000 1.959 242 C HN 0.804 nan 8.230 nan 0.000 0.500 243 G N 0.609 109.227 108.800 -0.303 0.000 2.446 243 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.217 243 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.217 243 G C 1.518 175.843 174.900 -0.958 0.000 1.168 243 G CA 1.180 45.876 45.100 -0.675 0.000 0.771 243 G HN 0.482 nan 8.290 nan 0.000 0.551 244 L N 0.487 121.113 121.223 -0.995 0.000 2.072 244 L HA 0.201 4.541 4.340 -0.000 0.000 0.205 244 L C 2.603 179.381 176.870 -0.153 0.000 1.079 244 L CA 1.228 55.820 54.840 -0.414 0.000 0.752 244 L CB -0.486 41.498 42.059 -0.125 0.000 0.906 244 L HN 0.195 nan 8.230 nan 0.000 0.436 245 L N -0.802 120.359 121.223 -0.103 0.000 2.261 245 L HA -0.194 4.146 4.340 -0.000 0.000 0.216 245 L C 2.336 179.122 176.870 -0.140 0.000 1.114 245 L CA 0.788 55.653 54.840 0.041 0.000 0.777 245 L CB -0.619 41.558 42.059 0.197 0.000 0.910 245 L HN 0.416 nan 8.230 nan 0.000 0.440 246 L N -0.140 120.808 121.223 -0.458 0.000 2.121 246 L HA -0.048 4.292 4.340 -0.000 0.000 0.200 246 L C 2.364 178.874 176.870 -0.600 0.000 1.077 246 L CA 1.722 55.912 54.840 -1.083 0.000 0.766 246 L CB -0.403 41.224 42.059 -0.721 0.000 0.931 246 L HN 0.084 nan 8.230 nan 0.000 0.452 247 V N -2.020 117.734 119.914 -0.266 0.000 2.871 247 V HA 0.183 4.303 4.120 -0.000 0.000 0.256 247 V C 2.240 178.333 176.094 -0.002 0.000 1.082 247 V CA 1.139 63.390 62.300 -0.081 0.000 1.105 247 V CB -1.559 30.326 31.823 0.103 0.000 0.713 247 V HN 0.415 nan 8.190 nan 0.000 0.473 248 G N 1.183 109.992 108.800 0.015 0.000 2.440 248 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 248 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 248 G C 1.401 176.331 174.900 0.051 0.000 1.154 248 G CA 0.837 45.981 45.100 0.073 0.000 0.767 248 G HN 0.841 nan 8.290 nan 0.000 0.552 249 G N -0.694 108.112 108.800 0.010 0.000 3.141 249 G HA2 0.349 4.309 3.960 -0.000 0.000 0.218 249 G HA3 0.349 4.309 3.960 -0.000 0.000 0.218 249 G C 1.139 176.050 174.900 0.018 0.000 1.170 249 G CA -0.086 45.034 45.100 0.033 0.000 0.769 249 G HN 0.244 nan 8.290 nan 0.000 0.546 250 L N 0.484 121.701 121.223 -0.011 0.000 2.140 250 L HA 0.278 4.618 4.340 -0.000 0.000 0.201 250 L C 2.218 179.101 176.870 0.022 0.000 1.191 250 L CA 1.205 56.037 54.840 -0.012 0.000 0.825 250 L CB -0.882 41.143 42.059 -0.056 0.000 0.970 250 L HN -0.039 nan 8.230 nan 0.000 0.477 251 D N -0.602 119.808 120.400 0.016 0.000 2.158 251 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 251 D C 2.114 178.445 176.300 0.051 0.000 0.995 251 D CA 1.798 55.812 54.000 0.023 0.000 0.846 251 D CB -0.157 40.650 40.800 0.012 0.000 0.941 251 D HN 0.518 nan 8.370 nan 0.000 0.456 252 T N -1.636 112.958 114.554 0.067 0.000 2.674 252 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 252 T C 2.178 176.976 174.700 0.163 0.000 1.039 252 T CA 1.407 63.564 62.100 0.095 0.000 1.150 252 T CB -0.862 68.054 68.868 0.079 0.000 0.864 252 T HN -0.001 nan 8.240 nan 0.000 0.427 253 V N 1.479 121.490 119.914 0.162 0.000 2.307 253 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 253 V C 2.979 179.213 176.094 0.233 0.000 1.045 253 V CA 1.326 63.767 62.300 0.234 0.000 1.024 253 V CB -0.798 31.144 31.823 0.199 0.000 0.651 253 V HN 0.384 nan 8.190 nan 0.000 0.449 254 V N 1.032 121.030 119.914 0.141 0.000 2.255 254 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 254 V C 2.335 178.457 176.094 0.045 0.000 1.051 254 V CA 2.427 64.779 62.300 0.088 0.000 1.018 254 V CB -0.917 30.921 31.823 0.026 0.000 0.641 254 V HN 0.577 nan 8.190 nan 0.000 0.445 255 N N -0.356 118.353 118.700 0.015 0.000 2.142 255 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 255 N C 1.631 177.100 175.510 -0.069 0.000 1.023 255 N CA 1.386 54.361 53.050 -0.125 0.000 0.852 255 N CB -0.571 37.867 38.487 -0.082 0.000 0.998 255 N HN 0.516 nan 8.380 nan 0.000 0.424 256 F N 1.883 121.874 119.950 0.068 0.000 2.102 256 F HA 0.002 4.529 4.527 -0.000 0.000 0.298 256 F C 2.018 177.887 175.800 0.115 0.000 1.105 256 F CA 0.958 59.060 58.000 0.169 0.000 1.239 256 F CB -0.421 38.649 39.000 0.118 0.000 0.991 256 F HN -0.078 nan 8.300 nan 0.000 0.474 257 L N -0.611 120.627 121.223 0.025 0.000 2.042 257 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 257 L C 2.557 179.359 176.870 -0.113 0.000 1.076 257 L CA 1.600 56.439 54.840 -0.002 0.000 0.749 257 L CB -0.996 41.256 42.059 0.323 0.000 0.893 257 L HN 0.130 nan 8.230 nan 0.000 0.432 258 S N -0.435 115.227 115.700 -0.064 0.000 2.356 258 S HA -0.145 4.325 4.470 -0.000 0.000 0.223 258 S C 1.767 176.137 174.600 -0.383 0.000 1.032 258 S CA 1.268 59.370 58.200 -0.164 0.000 1.005 258 S CB -0.353 62.709 63.200 -0.229 0.000 0.867 258 S HN 0.209 nan 8.310 nan 0.000 0.449 259 F N 2.274 121.968 119.950 -0.428 0.000 2.126 259 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 259 F C 2.769 178.026 175.800 -0.904 0.000 1.096 259 F CA 0.907 58.500 58.000 -0.678 0.000 1.255 259 F CB -1.102 37.505 39.000 -0.656 0.000 0.997 259 F HN 0.110 nan 8.300 nan 0.000 0.479 260 S N -0.293 115.032 115.700 -0.625 0.000 2.348 260 S HA -0.197 4.273 4.470 -0.000 0.000 0.221 260 S C 2.124 176.518 174.600 -0.343 0.000 1.033 260 S CA 1.336 59.233 58.200 -0.505 0.000 1.010 260 S CB -0.302 62.576 63.200 -0.537 0.000 0.891 260 S HN 0.191 nan 8.310 nan 0.000 0.442 261 M N 1.349 120.644 119.600 -0.509 0.000 2.159 261 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 261 M C 2.223 178.336 176.300 -0.311 0.000 1.063 261 M CA 1.242 56.182 55.300 -0.600 0.000 1.110 261 M CB -1.302 30.472 32.600 -1.377 0.000 1.374 261 M HN 0.472 nan 8.290 nan 0.000 0.411 262 E N -0.125 119.911 120.200 -0.273 0.000 2.051 262 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 262 E C 2.010 178.557 176.600 -0.088 0.000 0.991 262 E CA 1.251 57.574 56.400 -0.130 0.000 0.799 262 E CB -0.248 29.409 29.700 -0.070 0.000 0.748 262 E HN 0.364 nan 8.360 nan 0.000 0.449 263 F N 1.416 121.205 119.950 -0.268 0.000 2.102 263 F HA -0.139 4.388 4.527 0.000 0.000 0.298 263 F C 1.942 177.681 175.800 -0.103 0.000 1.105 263 F CA 1.459 59.361 58.000 -0.164 0.000 1.239 263 F CB -0.260 38.647 39.000 -0.156 0.000 0.991 263 F HN 0.007 nan 8.300 nan 0.000 0.474 264 L N -0.080 121.051 121.223 -0.153 0.000 2.191 264 L HA -0.162 4.177 4.340 -0.000 0.000 0.212 264 L C 2.704 179.341 176.870 -0.388 0.000 1.103 264 L CA 0.984 55.692 54.840 -0.220 0.000 0.769 264 L CB -1.135 40.939 42.059 0.025 0.000 0.908 264 L HN 0.283 nan 8.230 nan 0.000 0.438 265 A N 0.056 122.715 122.820 -0.268 0.000 2.014 265 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 265 A C 2.158 179.570 177.584 -0.288 0.000 1.163 265 A CA 1.243 53.086 52.037 -0.323 0.000 0.652 265 A CB -0.165 18.850 19.000 0.025 0.000 0.808 265 A HN 0.332 nan 8.150 nan 0.000 0.449 266 K N -0.009 120.224 120.400 -0.277 0.000 2.404 266 K HA 0.156 4.476 4.320 -0.000 0.000 0.194 266 K C -0.381 176.030 176.600 -0.316 0.000 1.023 266 K CA 0.277 56.421 56.287 -0.239 0.000 1.094 266 K CB 0.451 32.850 32.500 -0.168 0.000 0.841 266 K HN 0.277 nan 8.250 nan 0.000 0.523 267 S N 1.705 117.139 115.700 -0.444 0.000 2.130 267 S HA 0.210 4.680 4.470 -0.000 0.000 0.165 267 S C -2.334 172.141 174.600 -0.209 0.000 1.677 267 S CA -1.023 56.952 58.200 -0.374 0.000 1.227 267 S CB 1.322 64.067 63.200 -0.758 0.000 1.115 267 S HN -0.050 nan 8.310 nan 0.000 0.452 268 P HA -0.219 nan 4.420 nan 0.000 0.216 268 P C 1.863 179.126 177.300 -0.062 0.000 1.150 268 P CA 1.026 64.046 63.100 -0.133 0.000 0.843 268 P CB 0.154 31.789 31.700 -0.107 0.000 0.787 269 E N -0.365 119.813 120.200 -0.038 0.000 2.085 269 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 269 E C 1.527 178.096 176.600 -0.051 0.000 0.994 269 E CA 1.726 58.099 56.400 -0.046 0.000 0.801 269 E CB -1.362 28.303 29.700 -0.059 0.000 0.743 269 E HN 0.371 nan 8.360 nan 0.000 0.453 270 H N 0.542 119.601 119.070 -0.018 0.000 2.428 270 H HA 0.150 4.705 4.556 -0.000 0.000 0.296 270 H C 2.360 177.825 175.328 0.228 0.000 1.062 270 H CA 1.473 57.606 56.048 0.141 0.000 1.350 270 H CB 0.074 29.903 29.762 0.111 0.000 1.403 270 H HN 0.098 nan 8.280 nan 0.000 0.533 271 R N 0.124 120.719 120.500 0.159 0.000 2.070 271 R HA -0.174 4.166 4.340 -0.000 0.000 0.233 271 R C 2.210 178.560 176.300 0.082 0.000 1.137 271 R CA 1.498 57.650 56.100 0.088 0.000 0.945 271 R CB -0.188 30.071 30.300 -0.067 0.000 0.845 271 R HN 0.254 nan 8.270 nan 0.000 0.430 272 Q N 1.095 120.921 119.800 0.043 0.000 2.135 272 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 272 Q C 1.750 177.783 176.000 0.054 0.000 0.981 272 Q CA 1.792 57.615 55.803 0.033 0.000 0.856 272 Q CB -0.113 28.630 28.738 0.008 0.000 0.902 272 Q HN 0.318 nan 8.270 nan 0.000 0.425 273 E N -0.665 119.585 120.200 0.084 0.000 2.070 273 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 273 E C 1.695 178.355 176.600 0.100 0.000 1.004 273 E CA 1.468 57.934 56.400 0.109 0.000 0.805 273 E CB -0.159 29.658 29.700 0.195 0.000 0.744 273 E HN 0.434 nan 8.360 nan 0.000 0.451 274 L N 0.356 121.642 121.223 0.105 0.000 2.313 274 L HA -0.057 4.283 4.340 -0.000 0.000 0.214 274 L C 2.343 179.233 176.870 0.034 0.000 1.119 274 L CA 0.272 55.129 54.840 0.029 0.000 0.809 274 L CB -0.146 41.903 42.059 -0.018 0.000 0.933 274 L HN 0.235 nan 8.230 nan 0.000 0.449 275 I N -0.125 120.474 120.570 0.049 0.000 2.233 275 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 275 I C 2.310 178.445 176.117 0.030 0.000 1.093 275 I CA 1.338 62.662 61.300 0.041 0.000 1.380 275 I CB -0.032 37.992 38.000 0.041 0.000 1.067 275 I HN 0.252 nan 8.210 nan 0.000 0.413 276 E N 0.345 120.563 120.200 0.031 0.000 2.112 276 E HA -0.035 4.315 4.350 -0.000 0.000 0.190 276 E C 0.610 177.224 176.600 0.024 0.000 0.979 276 E CA 0.597 57.012 56.400 0.025 0.000 0.814 276 E CB 0.287 30.002 29.700 0.025 0.000 0.762 276 E HN 0.197 nan 8.360 nan 0.000 0.460 277 R N 1.179 121.695 120.500 0.027 0.000 3.057 277 R HA 0.142 4.482 4.340 -0.000 0.000 0.291 277 R C -2.056 174.251 176.300 0.012 0.000 1.394 277 R CA -1.538 54.575 56.100 0.023 0.000 1.630 277 R CB 0.486 30.805 30.300 0.032 0.000 1.268 277 R HN 0.152 nan 8.270 nan 0.000 0.621 278 P HA -0.214 nan 4.420 nan 0.000 0.217 278 P C 0.926 178.226 177.300 0.001 0.000 1.148 278 P CA 1.272 64.376 63.100 0.006 0.000 0.828 278 P CB 0.359 32.067 31.700 0.013 0.000 0.783 279 E N 1.023 121.227 120.200 0.007 0.000 2.409 279 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 279 E C 1.539 178.140 176.600 0.002 0.000 1.024 279 E CA 0.779 57.184 56.400 0.009 0.000 0.861 279 E CB -0.728 28.980 29.700 0.014 0.000 0.788 279 E HN 0.336 nan 8.360 nan 0.000 0.521 280 R N 0.241 120.735 120.500 -0.010 0.000 2.310 280 R HA 0.301 4.641 4.340 -0.000 0.000 0.202 280 R C 2.225 178.472 176.300 -0.089 0.000 0.933 280 R CA 0.017 56.101 56.100 -0.027 0.000 1.054 280 R CB -0.081 30.214 30.300 -0.009 0.000 0.985 280 R HN 0.186 nan 8.270 nan 0.000 0.489 281 I N 1.457 121.980 120.570 -0.078 0.000 2.226 281 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 281 I C -0.798 175.284 176.117 -0.059 0.000 1.100 281 I CA 1.292 62.531 61.300 -0.102 0.000 1.374 281 I CB -0.960 37.015 38.000 -0.042 0.000 1.057 281 I HN 0.026 nan 8.210 nan 0.000 0.413 282 P HA -0.162 nan 4.420 nan 0.000 0.215 282 P C 1.473 178.793 177.300 0.032 0.000 1.153 282 P CA 1.750 64.868 63.100 0.029 0.000 0.853 282 P CB 0.020 31.742 31.700 0.037 0.000 0.788 283 A N -0.257 122.571 122.820 0.013 0.000 1.929 283 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 283 A C 2.265 179.867 177.584 0.030 0.000 1.176 283 A CA 1.707 53.768 52.037 0.039 0.000 0.628 283 A CB -1.496 17.534 19.000 0.049 0.000 0.816 283 A HN 0.173 nan 8.150 nan 0.000 0.444 284 A N -0.937 121.811 122.820 -0.119 0.000 1.933 284 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 284 A C 2.365 179.939 177.584 -0.016 0.000 1.175 284 A CA 1.609 53.458 52.037 -0.313 0.000 0.628 284 A CB -1.391 17.013 19.000 -0.993 0.000 0.814 284 A HN 0.844 nan 8.150 nan 0.000 0.444 285 C N -0.639 118.676 119.300 0.024 0.000 2.429 285 C HA -0.102 4.358 4.460 -0.000 0.000 0.277 285 C C 2.568 177.653 174.990 0.160 0.000 1.262 285 C CA 1.816 60.920 59.018 0.143 0.000 1.733 285 C CB -0.966 26.858 27.740 0.139 0.000 2.010 285 C HN 0.664 nan 8.230 nan 0.000 0.483 286 E N 0.795 121.069 120.200 0.124 0.000 2.072 286 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 286 E C 2.051 178.707 176.600 0.093 0.000 0.985 286 E CA 1.854 58.328 56.400 0.124 0.000 0.801 286 E CB -0.407 29.384 29.700 0.151 0.000 0.750 286 E HN 0.796 nan 8.360 nan 0.000 0.452 287 E N -0.192 120.081 120.200 0.121 0.000 2.150 287 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 287 E C 1.856 178.471 176.600 0.025 0.000 0.985 287 E CA 0.955 57.406 56.400 0.084 0.000 0.814 287 E CB -0.233 29.566 29.700 0.166 0.000 0.752 287 E HN 0.338 nan 8.360 nan 0.000 0.466 288 L N -0.122 121.190 121.223 0.149 0.000 2.109 288 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 288 L C 2.449 179.513 176.870 0.322 0.000 1.086 288 L CA 0.641 55.619 54.840 0.229 0.000 0.760 288 L CB -0.357 41.931 42.059 0.381 0.000 0.910 288 L HN 0.202 nan 8.230 nan 0.000 0.437 289 L N -0.332 121.002 121.223 0.184 0.000 2.127 289 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 289 L C 2.856 179.478 176.870 -0.414 0.000 1.089 289 L CA 1.191 55.855 54.840 -0.292 0.000 0.757 289 L CB -0.424 41.286 42.059 -0.582 0.000 0.899 289 L HN 0.294 nan 8.230 nan 0.000 0.434 290 R N 0.223 120.528 120.500 -0.324 0.000 2.051 290 R HA -0.179 4.161 4.340 -0.000 0.000 0.225 290 R C 2.479 178.600 176.300 -0.297 0.000 1.155 290 R CA 1.284 57.210 56.100 -0.290 0.000 0.945 290 R CB -0.143 30.092 30.300 -0.108 0.000 0.840 290 R HN 0.036 nan 8.270 nan 0.000 0.432 291 R N 0.029 120.299 120.500 -0.384 0.000 2.105 291 R HA -0.111 4.229 4.340 -0.000 0.000 0.239 291 R C 0.628 176.407 176.300 -0.868 0.000 1.135 291 R CA 1.635 57.322 56.100 -0.688 0.000 0.967 291 R CB -0.304 29.385 30.300 -1.018 0.000 0.861 291 R HN 0.254 nan 8.270 nan 0.000 0.442 292 F N 0.173 120.014 119.950 -0.183 0.000 2.850 292 F HA 0.421 4.948 4.527 -0.000 0.000 0.306 292 F C 0.394 176.073 175.800 -0.202 0.000 1.162 292 F CA -0.583 57.252 58.000 -0.275 0.000 1.327 292 F CB -0.157 38.698 39.000 -0.241 0.000 0.953 292 F HN -0.141 nan 8.300 nan 0.000 0.507 293 S N 1.693 117.289 115.700 -0.174 0.000 2.558 293 S HA 0.214 4.684 4.470 -0.000 0.000 0.287 293 S C 0.954 175.402 174.600 -0.252 0.000 1.321 293 S CA 0.014 58.068 58.200 -0.244 0.000 1.048 293 S CB 0.413 63.434 63.200 -0.298 0.000 0.844 293 S HN 0.559 nan 8.310 nan 0.000 0.512 294 L N 2.321 123.422 121.223 -0.204 0.000 3.515 294 L HA 0.564 4.904 4.340 -0.000 0.000 0.322 294 L C -0.746 175.995 176.870 -0.215 0.000 1.225 294 L CA -0.551 54.181 54.840 -0.180 0.000 1.104 294 L CB 0.133 42.257 42.059 0.108 0.000 1.506 294 L HN 0.325 nan 8.230 nan 0.000 0.624 295 V N 1.855 121.630 119.914 -0.232 0.000 2.617 295 V HA 0.819 4.939 4.120 -0.000 0.000 0.298 295 V C 0.384 176.333 176.094 -0.241 0.000 1.048 295 V CA 0.168 62.351 62.300 -0.195 0.000 0.964 295 V CB 1.483 33.228 31.823 -0.129 0.000 1.004 295 V HN 0.365 nan 8.190 nan 0.000 0.466 296 A N 3.110 125.822 122.820 -0.179 0.000 2.839 296 A HA 0.599 4.919 4.320 -0.000 0.000 0.303 296 A C -0.694 176.888 177.584 -0.003 0.000 1.181 296 A CA -0.671 51.297 52.037 -0.115 0.000 0.808 296 A CB 0.328 19.178 19.000 -0.250 0.000 1.391 296 A HN 0.833 nan 8.150 nan 0.000 0.433 297 D N 0.914 121.367 120.400 0.088 0.000 2.666 297 D HA 0.863 5.503 4.640 -0.000 0.000 0.252 297 D C 0.529 176.939 176.300 0.184 0.000 1.143 297 D CA 0.070 54.165 54.000 0.159 0.000 1.096 297 D CB 1.333 42.299 40.800 0.276 0.000 1.260 297 D HN 0.780 nan 8.370 nan 0.000 0.633 298 G N -1.708 107.189 108.800 0.162 0.000 2.677 298 G HA2 0.544 4.504 3.960 -0.000 0.000 0.283 298 G HA3 0.544 4.504 3.960 -0.000 0.000 0.283 298 G C -1.035 173.903 174.900 0.064 0.000 1.221 298 G CA -0.699 44.451 45.100 0.085 0.000 0.851 298 G HN 0.451 nan 8.290 nan 0.000 0.504 299 R N -1.239 119.290 120.500 0.048 0.000 2.831 299 R HA 0.659 4.999 4.340 -0.000 0.000 0.266 299 R C -1.435 174.957 176.300 0.153 0.000 1.051 299 R CA -0.748 55.416 56.100 0.107 0.000 0.943 299 R CB 1.599 31.999 30.300 0.167 0.000 1.228 299 R HN 0.612 nan 8.270 nan 0.000 0.467 300 I N 1.268 121.930 120.570 0.154 0.000 2.545 300 I HA 0.275 4.444 4.170 -0.000 0.000 0.292 300 I C -0.683 175.503 176.117 0.115 0.000 1.040 300 I CA -1.046 60.344 61.300 0.149 0.000 1.068 300 I CB 1.372 39.432 38.000 0.101 0.000 1.251 300 I HN 0.229 nan 8.210 nan 0.000 0.424 301 L N 6.523 127.810 121.223 0.108 0.000 2.462 301 L HA 0.082 4.422 4.340 -0.000 0.000 0.272 301 L C 1.623 178.478 176.870 -0.025 0.000 1.166 301 L CA 0.552 55.379 54.840 -0.023 0.000 0.880 301 L CB 0.896 42.968 42.059 0.022 0.000 1.142 301 L HN 0.819 nan 8.230 nan 0.000 0.473 302 T N -1.439 113.066 114.554 -0.082 0.000 3.067 302 T HA 0.047 4.396 4.350 -0.000 0.000 0.261 302 T C 0.753 175.433 174.700 -0.033 0.000 1.110 302 T CA 0.511 62.584 62.100 -0.045 0.000 1.113 302 T CB 0.166 68.993 68.868 -0.070 0.000 0.917 302 T HN 0.652 nan 8.240 nan 0.000 0.499 303 S N -0.269 115.404 115.700 -0.044 0.000 2.615 303 S HA 0.403 4.873 4.470 -0.000 0.000 0.268 303 S C -2.126 172.455 174.600 -0.032 0.000 1.146 303 S CA -1.179 57.008 58.200 -0.022 0.000 0.818 303 S CB 0.945 64.144 63.200 -0.001 0.000 1.111 303 S HN 0.090 nan 8.310 nan 0.000 0.465 304 D N 1.111 121.501 120.400 -0.017 0.000 2.455 304 D HA 0.413 5.053 4.640 -0.000 0.000 0.241 304 D C -0.774 175.535 176.300 0.014 0.000 1.138 304 D CA 0.990 54.980 54.000 -0.017 0.000 0.877 304 D CB 0.187 40.972 40.800 -0.025 0.000 1.187 304 D HN 0.561 nan 8.370 nan 0.000 0.451 305 Y N 0.279 120.457 120.300 -0.202 0.000 2.480 305 Y HA 0.155 4.705 4.550 -0.001 0.000 0.329 305 Y C -1.152 174.645 175.900 -0.171 0.000 1.127 305 Y CA -0.990 56.930 58.100 -0.299 0.000 1.037 305 Y CB 1.343 39.425 38.460 -0.629 0.000 1.320 305 Y HN 0.324 nan 8.280 nan 0.000 0.446 306 E N 5.983 125.832 120.200 -0.585 0.000 2.130 306 E HA 0.324 4.674 4.350 -0.000 0.000 0.284 306 E C -1.907 174.263 176.600 -0.716 0.000 1.018 306 E CA -0.464 55.654 56.400 -0.470 0.000 0.817 306 E CB 0.567 30.101 29.700 -0.278 0.000 1.078 306 E HN 0.454 nan 8.360 nan 0.000 0.396 307 F N 4.649 124.251 119.950 -0.580 0.000 2.427 307 F HA 0.254 4.780 4.527 -0.002 0.000 0.348 307 F C -0.608 175.135 175.800 -0.095 0.000 1.125 307 F CA -0.823 56.969 58.000 -0.345 0.000 0.989 307 F CB 0.439 39.408 39.000 -0.052 0.000 1.165 307 F HN 0.692 nan 8.300 nan 0.000 0.442 308 H N 3.809 122.593 119.070 -0.476 0.000 2.527 308 H HA -0.095 4.462 4.556 0.001 0.000 0.321 308 H C 1.379 176.567 175.328 -0.233 0.000 1.092 308 H CA 1.156 56.961 56.048 -0.404 0.000 1.118 308 H CB -1.039 28.384 29.762 -0.565 0.000 1.536 308 H HN 1.110 nan 8.280 nan 0.000 0.407 309 G N -2.019 106.699 108.800 -0.136 0.000 2.212 309 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.266 309 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.266 309 G C 0.301 175.169 174.900 -0.054 0.000 0.978 309 G CA 0.235 45.289 45.100 -0.077 0.000 0.632 309 G HN 0.610 nan 8.290 nan 0.000 0.537 310 V N 2.276 122.138 119.914 -0.086 0.000 2.427 310 V HA 0.472 4.592 4.120 -0.000 0.000 0.286 310 V C 0.147 176.160 176.094 -0.135 0.000 1.034 310 V CA -0.876 61.358 62.300 -0.109 0.000 0.893 310 V CB 1.799 33.484 31.823 -0.230 0.000 0.982 310 V HN 0.315 nan 8.190 nan 0.000 0.452 311 Q N 5.164 124.940 119.800 -0.040 0.000 2.323 311 Q HA 0.457 4.797 4.340 -0.000 0.000 0.257 311 Q C -0.759 175.294 176.000 0.088 0.000 1.022 311 Q CA 0.046 55.853 55.803 0.007 0.000 0.919 311 Q CB 1.335 30.120 28.738 0.078 0.000 1.220 311 Q HN 0.583 nan 8.270 nan 0.000 0.427 312 L N 1.754 122.974 121.223 -0.005 0.000 2.322 312 L HA 0.513 4.853 4.340 -0.000 0.000 0.279 312 L C 0.296 177.205 176.870 0.065 0.000 1.036 312 L CA -0.701 54.197 54.840 0.096 0.000 0.807 312 L CB 1.311 43.352 42.059 -0.029 0.000 1.226 312 L HN 0.330 nan 8.230 nan 0.000 0.433 313 K N 2.376 122.809 120.400 0.056 0.000 2.164 313 K HA 0.264 4.584 4.320 -0.000 0.000 0.258 313 K C -0.375 176.230 176.600 0.009 0.000 0.951 313 K CA -0.843 55.375 56.287 -0.116 0.000 0.844 313 K CB 1.611 33.811 32.500 -0.500 0.000 1.099 313 K HN 0.429 nan 8.250 nan 0.000 0.435 314 K N 1.832 122.224 120.400 -0.013 0.000 2.530 314 K HA -0.102 4.218 4.320 -0.000 0.000 0.280 314 K C 0.537 177.169 176.600 0.053 0.000 1.004 314 K CA 1.681 57.977 56.287 0.015 0.000 1.071 314 K CB -0.104 32.396 32.500 0.001 0.000 0.876 314 K HN 0.837 nan 8.250 nan 0.000 0.487 315 G N 3.121 111.972 108.800 0.084 0.000 2.258 315 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.233 315 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.233 315 G C -0.354 174.660 174.900 0.190 0.000 1.006 315 G CA 0.103 45.272 45.100 0.114 0.000 0.620 315 G HN 0.731 nan 8.290 nan 0.000 0.511 316 D N 1.721 122.281 120.400 0.267 0.000 2.472 316 D HA 0.411 5.051 4.640 -0.000 0.000 0.237 316 D C 0.808 177.348 176.300 0.400 0.000 1.141 316 D CA 0.627 54.895 54.000 0.447 0.000 0.875 316 D CB 0.515 41.743 40.800 0.714 0.000 1.192 316 D HN 0.505 nan 8.370 nan 0.000 0.450 317 Q N 0.924 120.956 119.800 0.386 0.000 2.230 317 Q HA 0.590 4.930 4.340 -0.000 0.000 0.253 317 Q C -0.428 175.797 176.000 0.376 0.000 0.919 317 Q CA -0.608 55.364 55.803 0.282 0.000 0.908 317 Q CB 2.444 31.276 28.738 0.155 0.000 1.245 317 Q HN 0.465 nan 8.270 nan 0.000 0.437 318 I N 3.040 123.788 120.570 0.297 0.000 2.466 318 I HA 0.257 4.426 4.170 -0.000 0.000 0.289 318 I C -1.589 174.593 176.117 0.109 0.000 1.026 318 I CA -1.108 60.376 61.300 0.307 0.000 1.078 318 I CB 1.184 39.365 38.000 0.302 0.000 1.249 318 I HN 0.486 nan 8.210 nan 0.000 0.429 319 L N 8.500 129.788 121.223 0.108 0.000 2.290 319 L HA 0.431 4.771 4.340 -0.000 0.000 0.284 319 L C -1.166 175.725 176.870 0.035 0.000 1.078 319 L CA 0.197 55.056 54.840 0.033 0.000 0.815 319 L CB 0.822 42.906 42.059 0.040 0.000 1.162 319 L HN 0.531 nan 8.230 nan 0.000 0.435 320 L N 7.685 128.899 121.223 -0.015 0.000 2.445 320 L HA 0.397 4.737 4.340 -0.000 0.000 0.252 320 L C -2.179 174.764 176.870 0.121 0.000 1.105 320 L CA -1.709 53.085 54.840 -0.076 0.000 0.943 320 L CB 0.916 42.653 42.059 -0.536 0.000 1.277 320 L HN 0.487 nan 8.230 nan 0.000 0.465 321 P HA 0.023 nan 4.420 nan 0.000 0.259 321 P C 0.288 177.595 177.300 0.011 0.000 1.211 321 P CA 0.123 63.250 63.100 0.045 0.000 0.810 321 P CB 0.778 32.525 31.700 0.079 0.000 0.815 322 Q N 2.882 122.686 119.800 0.006 0.000 2.112 322 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 322 Q C 1.915 177.843 176.000 -0.119 0.000 0.987 322 Q CA 1.730 57.514 55.803 -0.031 0.000 0.858 322 Q CB -0.585 28.096 28.738 -0.095 0.000 0.905 322 Q HN 0.514 nan 8.270 nan 0.000 0.420 323 M N -0.309 119.157 119.600 -0.224 0.000 2.106 323 M HA -0.227 4.253 4.480 -0.000 0.000 0.259 323 M C 1.492 177.667 176.300 -0.209 0.000 1.068 323 M CA 1.601 56.727 55.300 -0.290 0.000 1.100 323 M CB -0.073 32.225 32.600 -0.504 0.000 1.351 323 M HN 0.293 nan 8.290 nan 0.000 0.404 324 L N -0.442 120.692 121.223 -0.148 0.000 2.141 324 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 324 L C 2.446 179.270 176.870 -0.076 0.000 1.094 324 L CA 0.858 55.644 54.840 -0.089 0.000 0.763 324 L CB -0.623 41.410 42.059 -0.043 0.000 0.908 324 L HN 0.339 nan 8.230 nan 0.000 0.437 325 S N 0.487 116.150 115.700 -0.062 0.000 2.359 325 S HA -0.209 4.261 4.470 -0.000 0.000 0.222 325 S C 2.006 176.574 174.600 -0.053 0.000 1.038 325 S CA 1.621 59.789 58.200 -0.053 0.000 1.051 325 S CB -0.865 62.310 63.200 -0.042 0.000 0.944 325 S HN 0.610 nan 8.310 nan 0.000 0.433 326 G N 0.877 109.649 108.800 -0.047 0.000 2.471 326 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.219 326 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.219 326 G C 1.132 175.983 174.900 -0.082 0.000 1.125 326 G CA 0.354 45.429 45.100 -0.041 0.000 0.775 326 G HN 0.462 nan 8.290 nan 0.000 0.548 327 L N 0.229 121.393 121.223 -0.099 0.000 2.558 327 L HA 0.159 4.499 4.340 -0.000 0.000 0.225 327 L C 0.553 177.379 176.870 -0.074 0.000 1.128 327 L CA -0.277 54.502 54.840 -0.103 0.000 0.868 327 L CB 0.024 42.017 42.059 -0.110 0.000 1.006 327 L HN 0.020 nan 8.230 nan 0.000 0.454 328 D N 1.253 121.614 120.400 -0.066 0.000 2.346 328 D HA -0.066 4.574 4.640 -0.000 0.000 0.260 328 D C 1.237 177.508 176.300 -0.048 0.000 1.252 328 D CA 0.288 54.253 54.000 -0.058 0.000 0.895 328 D CB 0.978 41.742 40.800 -0.059 0.000 1.097 328 D HN 0.042 nan 8.370 nan 0.000 0.489 329 E N 3.491 123.666 120.200 -0.042 0.000 2.147 329 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 329 E C 1.559 178.142 176.600 -0.029 0.000 1.005 329 E CA 0.991 57.372 56.400 -0.032 0.000 0.810 329 E CB 0.172 29.856 29.700 -0.026 0.000 0.736 329 E HN 0.565 nan 8.360 nan 0.000 0.460 330 R N 0.030 120.510 120.500 -0.033 0.000 2.237 330 R HA -0.070 4.270 4.340 -0.000 0.000 0.219 330 R C 2.045 178.327 176.300 -0.030 0.000 1.080 330 R CA 0.794 56.875 56.100 -0.030 0.000 0.995 330 R CB 0.021 30.299 30.300 -0.036 0.000 0.875 330 R HN 0.212 nan 8.270 nan 0.000 0.462 331 E N -0.370 119.810 120.200 -0.034 0.000 2.290 331 E HA 0.097 4.447 4.350 -0.000 0.000 0.197 331 E C -0.209 176.375 176.600 -0.027 0.000 0.948 331 E CA 0.215 56.594 56.400 -0.034 0.000 0.895 331 E CB 0.588 30.263 29.700 -0.042 0.000 0.865 331 E HN 0.186 nan 8.360 nan 0.000 0.486 332 N N 0.299 118.982 118.700 -0.028 0.000 2.430 332 N HA 0.264 5.004 4.740 -0.000 0.000 0.290 332 N C -1.136 174.363 175.510 -0.019 0.000 1.063 332 N CA -0.209 52.827 53.050 -0.023 0.000 0.883 332 N CB 1.985 40.452 38.487 -0.033 0.000 1.465 332 N HN -0.016 nan 8.380 nan 0.000 0.493 333 A N 1.012 123.828 122.820 -0.007 0.000 2.531 333 A HA 0.169 4.489 4.320 -0.000 0.000 0.236 333 A C 1.144 178.735 177.584 0.011 0.000 1.062 333 A CA -0.079 51.960 52.037 0.002 0.000 0.760 333 A CB -0.557 18.450 19.000 0.012 0.000 0.995 333 A HN 1.232 nan 8.150 nan 0.000 0.501 334 C N 0.651 119.957 119.300 0.009 0.000 2.862 334 C HA -0.115 4.345 4.460 -0.000 0.000 0.237 334 C C -0.315 174.686 174.990 0.017 0.000 1.339 334 C CA -0.455 58.575 59.018 0.019 0.000 2.397 334 C CB -2.616 25.146 27.740 0.038 0.000 1.520 334 C HN 0.817 nan 8.230 nan 0.000 0.423 335 P HA -0.205 nan 4.420 nan 0.000 0.217 335 P C 1.584 178.824 177.300 -0.100 0.000 1.148 335 P CA 1.837 64.898 63.100 -0.064 0.000 0.828 335 P CB -0.018 31.641 31.700 -0.068 0.000 0.783 336 M N -1.675 117.885 119.600 -0.066 0.000 2.619 336 M HA -0.011 4.469 4.480 -0.000 0.000 0.251 336 M C 1.279 177.545 176.300 -0.057 0.000 1.106 336 M CA 0.475 55.722 55.300 -0.089 0.000 1.086 336 M CB -1.746 30.829 32.600 -0.040 0.000 1.465 336 M HN 0.130 nan 8.290 nan 0.000 0.506 337 H N 0.916 119.912 119.070 -0.123 0.000 2.620 337 H HA 0.326 4.882 4.556 -0.000 0.000 0.313 337 H C -1.075 174.156 175.328 -0.161 0.000 1.075 337 H CA -0.460 55.527 56.048 -0.101 0.000 1.397 337 H CB 1.365 31.096 29.762 -0.051 0.000 1.446 337 H HN -0.180 nan 8.280 nan 0.000 0.493 338 V N 6.329 125.959 119.914 -0.473 0.000 2.408 338 V HA 0.031 4.151 4.120 -0.000 0.000 0.267 338 V C 0.224 175.910 176.094 -0.680 0.000 1.047 338 V CA -0.074 61.861 62.300 -0.609 0.000 0.937 338 V CB 1.000 32.333 31.823 -0.817 0.000 0.999 338 V HN 0.755 nan 8.190 nan 0.000 0.472 339 D N 4.335 124.420 120.400 -0.525 0.000 2.473 339 D HA 0.310 4.950 4.640 -0.000 0.000 0.253 339 D C 0.400 176.652 176.300 -0.079 0.000 1.233 339 D CA -0.518 53.271 54.000 -0.351 0.000 0.908 339 D CB 1.271 41.899 40.800 -0.288 0.000 1.170 339 D HN 0.277 nan 8.370 nan 0.000 0.558 340 F N 1.225 121.203 119.950 0.046 0.000 2.641 340 F HA -0.026 4.501 4.527 -0.000 0.000 0.298 340 F C 2.094 177.913 175.800 0.031 0.000 1.146 340 F CA 0.365 58.398 58.000 0.054 0.000 1.464 340 F CB -0.316 38.743 39.000 0.097 0.000 1.101 340 F HN 0.221 nan 8.300 nan 0.000 0.585 341 S N -0.906 114.893 115.700 0.163 0.000 2.582 341 S HA 0.108 4.578 4.470 -0.000 0.000 0.234 341 S C 0.820 175.459 174.600 0.066 0.000 0.961 341 S CA -0.555 57.708 58.200 0.105 0.000 0.953 341 S CB -0.150 63.097 63.200 0.079 0.000 0.800 341 S HN 0.183 nan 8.310 nan 0.000 0.471 342 R N 1.846 122.379 120.500 0.054 0.000 2.522 342 R HA 0.065 4.405 4.340 -0.000 0.000 0.284 342 R C 1.019 177.343 176.300 0.041 0.000 1.032 342 R CA 0.337 56.455 56.100 0.031 0.000 1.049 342 R CB 0.302 30.607 30.300 0.009 0.000 0.956 342 R HN 0.355 nan 8.270 nan 0.000 0.422 343 Q N 2.748 122.567 119.800 0.032 0.000 2.096 343 Q HA -0.058 4.282 4.340 -0.000 0.000 0.197 343 Q C -0.052 175.964 176.000 0.026 0.000 0.964 343 Q CA 1.301 57.122 55.803 0.030 0.000 0.838 343 Q CB 0.306 29.059 28.738 0.025 0.000 0.906 343 Q HN 0.459 nan 8.270 nan 0.000 0.444 344 K N 1.182 121.593 120.400 0.019 0.000 2.624 344 K HA 0.305 4.625 4.320 -0.000 0.000 0.200 344 K C -1.390 175.215 176.600 0.009 0.000 1.036 344 K CA -0.257 56.037 56.287 0.012 0.000 1.029 344 K CB 2.018 34.521 32.500 0.005 0.000 1.317 344 K HN -0.141 nan 8.250 nan 0.000 0.555 345 V N 2.806 122.734 119.914 0.022 0.000 2.381 345 V HA 0.020 4.139 4.120 -0.000 0.000 0.257 345 V C 0.395 176.497 176.094 0.012 0.000 1.057 345 V CA -0.231 62.092 62.300 0.038 0.000 1.013 345 V CB -0.059 31.814 31.823 0.084 0.000 1.069 345 V HN 0.679 nan 8.190 nan 0.000 0.484 346 S N 4.637 120.330 115.700 -0.012 0.000 2.525 346 S HA 0.889 5.359 4.470 -0.000 0.000 0.290 346 S C -0.608 173.972 174.600 -0.033 0.000 1.152 346 S CA -0.650 57.502 58.200 -0.080 0.000 1.072 346 S CB 1.788 64.951 63.200 -0.062 0.000 1.027 346 S HN 1.090 nan 8.310 nan 0.000 0.500 347 H N -1.588 117.455 119.070 -0.046 0.000 2.904 347 H HA 0.579 5.135 4.556 -0.000 0.000 0.290 347 H C -0.584 174.708 175.328 -0.059 0.000 1.437 347 H CA -0.391 55.612 56.048 -0.076 0.000 1.147 347 H CB 0.569 30.267 29.762 -0.107 0.000 1.824 347 H HN 0.571 nan 8.280 nan 0.000 0.505 348 T N -2.851 111.809 114.554 0.178 0.000 3.442 348 T HA 0.172 4.521 4.350 -0.000 0.000 0.295 348 T C 0.508 175.256 174.700 0.079 0.000 1.007 348 T CA 0.159 62.331 62.100 0.120 0.000 0.962 348 T CB -0.436 68.447 68.868 0.025 0.000 1.187 348 T HN 0.609 nan 8.240 nan 0.000 0.490 349 T N 1.481 116.088 114.554 0.087 0.000 2.778 349 T HA -0.012 4.338 4.350 -0.000 0.000 0.269 349 T C 0.471 174.915 174.700 -0.426 0.000 1.050 349 T CA 1.363 63.246 62.100 -0.361 0.000 1.137 349 T CB -0.418 67.950 68.868 -0.834 0.000 0.860 349 T HN 0.489 nan 8.240 nan 0.000 0.468 350 F N 0.935 120.875 119.950 -0.017 0.000 2.645 350 F HA 0.464 4.991 4.527 -0.000 0.000 0.300 350 F C 1.613 177.372 175.800 -0.068 0.000 1.115 350 F CA -0.163 57.803 58.000 -0.056 0.000 1.355 350 F CB -0.343 38.629 39.000 -0.046 0.000 1.026 350 F HN 0.300 nan 8.300 nan 0.000 0.536 351 G N 0.046 108.862 108.800 0.027 0.000 2.587 351 G HA2 -0.052 3.907 3.960 -0.000 0.000 0.212 351 G HA3 -0.052 3.907 3.960 -0.000 0.000 0.212 351 G C -1.380 173.519 174.900 -0.002 0.000 1.327 351 G CA -0.422 44.609 45.100 -0.115 0.000 0.898 351 G HN 0.562 nan 8.290 nan 0.000 0.551 352 H N -1.276 117.660 119.070 -0.223 0.000 3.043 352 H HA 0.665 5.220 4.556 -0.001 0.000 0.317 352 H C 0.477 175.811 175.328 0.010 0.000 1.321 352 H CA 1.889 57.903 56.048 -0.057 0.000 1.243 352 H CB 1.154 30.930 29.762 0.023 0.000 1.924 352 H HN 2.729 nan 8.280 nan 0.000 0.527 353 G N 0.887 109.378 108.800 -0.515 0.000 2.568 353 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.222 353 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.222 353 G C 1.141 175.975 174.900 -0.110 0.000 1.321 353 G CA 0.514 45.488 45.100 -0.209 0.000 0.893 353 G HN 1.486 nan 8.290 nan 0.000 0.569 354 S N -1.098 114.563 115.700 -0.066 0.000 2.442 354 S HA -0.108 4.362 4.470 -0.000 0.000 0.236 354 S C 1.415 175.861 174.600 -0.258 0.000 1.007 354 S CA 2.018 60.104 58.200 -0.189 0.000 0.965 354 S CB -0.291 62.722 63.200 -0.312 0.000 0.773 354 S HN 0.754 nan 8.310 nan 0.000 0.504 355 H N 0.343 119.395 119.070 -0.029 0.000 2.529 355 H HA 0.340 4.896 4.556 -0.001 0.000 0.277 355 H C 0.418 175.722 175.328 -0.040 0.000 1.004 355 H CA -0.455 55.582 56.048 -0.019 0.000 1.167 355 H CB -0.125 29.641 29.762 0.007 0.000 1.445 355 H HN 0.334 nan 8.280 nan 0.000 0.554 356 L N 1.973 123.204 121.223 0.014 0.000 2.720 356 L HA -0.127 4.213 4.340 -0.000 0.000 0.289 356 L C 0.535 177.406 176.870 0.001 0.000 1.232 356 L CA 0.121 54.959 54.840 -0.004 0.000 0.915 356 L CB -0.100 41.936 42.059 -0.037 0.000 1.184 356 L HN 0.291 nan 8.230 nan 0.000 0.491 357 C N 6.534 125.850 119.300 0.026 0.000 2.271 357 C HA -0.063 4.397 4.460 -0.000 0.000 0.397 357 C C 1.940 176.859 174.990 -0.117 0.000 1.533 357 C CA -0.055 58.962 59.018 -0.002 0.000 1.433 357 C CB -1.538 26.246 27.740 0.074 0.000 2.511 357 C HN 0.914 nan 8.230 nan 0.000 0.610 358 L N 5.056 126.244 121.223 -0.058 0.000 2.395 358 L HA 0.116 4.456 4.340 -0.000 0.000 0.218 358 L C 2.357 179.162 176.870 -0.107 0.000 1.130 358 L CA 1.315 56.114 54.840 -0.068 0.000 0.826 358 L CB -0.348 41.711 42.059 0.001 0.000 0.941 358 L HN 0.961 nan 8.230 nan 0.000 0.451 359 G N -0.680 108.053 108.800 -0.112 0.000 3.189 359 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.225 359 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.225 359 G C 1.343 176.083 174.900 -0.268 0.000 1.159 359 G CA -0.003 45.032 45.100 -0.108 0.000 0.763 359 G HN 0.500 nan 8.290 nan 0.000 0.549 360 Q N -0.026 119.421 119.800 -0.590 0.000 2.112 360 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 360 Q C 1.820 177.373 176.000 -0.744 0.000 0.987 360 Q CA 1.548 56.640 55.803 -1.185 0.000 0.858 360 Q CB -0.574 27.177 28.738 -1.646 0.000 0.905 360 Q HN 0.458 nan 8.270 nan 0.000 0.420 361 H N 0.329 119.227 119.070 -0.287 0.000 2.357 361 H HA -0.049 4.506 4.556 -0.000 0.000 0.301 361 H C 2.182 177.465 175.328 -0.075 0.000 1.082 361 H CA 1.357 57.316 56.048 -0.149 0.000 1.342 361 H CB -0.240 29.462 29.762 -0.100 0.000 1.389 361 H HN 0.271 nan 8.280 nan 0.000 0.511 362 L N 1.211 122.453 121.223 0.032 0.000 2.046 362 L HA -0.054 4.285 4.340 -0.000 0.000 0.208 362 L C 2.564 179.465 176.870 0.053 0.000 1.077 362 L CA 1.767 56.631 54.840 0.040 0.000 0.747 362 L CB -0.896 41.177 42.059 0.024 0.000 0.896 362 L HN 0.178 nan 8.230 nan 0.000 0.432 363 A N -0.262 122.575 122.820 0.028 0.000 1.873 363 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 363 A C 2.436 180.123 177.584 0.170 0.000 1.193 363 A CA 2.059 54.168 52.037 0.119 0.000 0.629 363 A CB -0.647 18.463 19.000 0.183 0.000 0.826 363 A HN 0.511 nan 8.150 nan 0.000 0.447 364 R N -1.283 119.291 120.500 0.123 0.000 2.105 364 R HA -0.101 4.239 4.340 -0.000 0.000 0.239 364 R C 2.364 178.764 176.300 0.166 0.000 1.135 364 R CA 1.241 57.438 56.100 0.161 0.000 0.967 364 R CB -0.269 30.106 30.300 0.125 0.000 0.861 364 R HN 0.330 nan 8.270 nan 0.000 0.442 365 R N 0.958 121.544 120.500 0.144 0.000 2.075 365 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 365 R C 1.976 178.407 176.300 0.218 0.000 1.126 365 R CA 1.278 57.469 56.100 0.151 0.000 0.963 365 R CB -0.443 29.927 30.300 0.116 0.000 0.858 365 R HN 0.418 nan 8.270 nan 0.000 0.435 366 E N 0.215 120.563 120.200 0.247 0.000 2.110 366 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 366 E C 2.055 178.931 176.600 0.461 0.000 0.988 366 E CA 1.012 57.663 56.400 0.419 0.000 0.804 366 E CB -0.112 29.787 29.700 0.331 0.000 0.745 366 E HN 0.271 nan 8.360 nan 0.000 0.458 367 I N 0.723 121.505 120.570 0.353 0.000 2.133 367 I HA -0.262 3.908 4.170 -0.000 0.000 0.238 367 I C 2.372 178.632 176.117 0.238 0.000 1.074 367 I CA 1.014 62.516 61.300 0.336 0.000 1.342 367 I CB -0.213 38.014 38.000 0.378 0.000 1.053 367 I HN 0.085 nan 8.210 nan 0.000 0.404 368 I N 0.153 120.843 120.570 0.201 0.000 2.208 368 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 368 I C 2.534 178.731 176.117 0.133 0.000 1.097 368 I CA 1.226 62.611 61.300 0.141 0.000 1.363 368 I CB -0.305 37.767 38.000 0.120 0.000 1.051 368 I HN 0.046 nan 8.210 nan 0.000 0.413 369 V N 0.423 120.440 119.914 0.173 0.000 2.343 369 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 369 V C 2.492 178.672 176.094 0.144 0.000 1.051 369 V CA 2.433 64.834 62.300 0.168 0.000 1.036 369 V CB -0.847 31.115 31.823 0.232 0.000 0.654 369 V HN 0.469 nan 8.190 nan 0.000 0.451 370 T N 0.542 115.191 114.554 0.159 0.000 2.652 370 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 370 T C 1.891 176.612 174.700 0.034 0.000 1.039 370 T CA 1.721 63.861 62.100 0.066 0.000 1.153 370 T CB -0.341 68.572 68.868 0.076 0.000 0.863 370 T HN 0.288 nan 8.240 nan 0.000 0.428 371 L N 0.311 121.557 121.223 0.039 0.000 2.042 371 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 371 L C 2.674 179.579 176.870 0.058 0.000 1.076 371 L CA 1.509 56.359 54.840 0.017 0.000 0.749 371 L CB -0.484 41.584 42.059 0.015 0.000 0.893 371 L HN 0.255 nan 8.230 nan 0.000 0.432 372 K N -0.337 120.101 120.400 0.062 0.000 2.001 372 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 372 K C 2.091 178.724 176.600 0.056 0.000 1.048 372 K CA 1.127 57.448 56.287 0.056 0.000 0.932 372 K CB -0.039 32.493 32.500 0.055 0.000 0.715 372 K HN 0.150 nan 8.250 nan 0.000 0.437 373 E N 0.007 120.243 120.200 0.061 0.000 2.204 373 E HA -0.192 4.157 4.350 -0.000 0.000 0.194 373 E C 1.588 178.190 176.600 0.004 0.000 0.989 373 E CA 0.699 57.119 56.400 0.034 0.000 0.824 373 E CB -0.112 29.617 29.700 0.048 0.000 0.756 373 E HN 0.478 nan 8.360 nan 0.000 0.477 374 W N 1.131 122.331 121.300 -0.166 0.000 2.441 374 W HA -0.033 4.627 4.660 0.000 0.000 0.302 374 W C 1.800 178.198 176.519 -0.201 0.000 1.191 374 W CA 0.690 57.879 57.345 -0.260 0.000 1.327 374 W CB -0.419 28.808 29.460 -0.389 0.000 1.128 374 W HN 0.012 nan 8.180 nan 0.000 0.522 375 L N 0.475 121.829 121.223 0.218 0.000 2.131 375 L HA -0.225 4.114 4.340 -0.000 0.000 0.210 375 L C 2.389 179.280 176.870 0.035 0.000 1.092 375 L CA 1.680 56.624 54.840 0.172 0.000 0.759 375 L CB -1.167 40.980 42.059 0.147 0.000 0.903 375 L HN -0.144 nan 8.230 nan 0.000 0.435 376 T N -0.730 113.821 114.554 -0.006 0.000 2.867 376 T HA -0.132 4.218 4.350 -0.000 0.000 0.268 376 T C 2.021 176.666 174.700 -0.091 0.000 1.057 376 T CA 1.278 63.357 62.100 -0.035 0.000 1.136 376 T CB -0.011 68.842 68.868 -0.026 0.000 0.874 376 T HN 0.346 nan 8.240 nan 0.000 0.466 377 R N -0.259 120.130 120.500 -0.186 0.000 2.167 377 R HA 0.348 4.688 4.340 -0.000 0.000 0.201 377 R C 0.450 176.538 176.300 -0.353 0.000 1.024 377 R CA 0.542 56.486 56.100 -0.260 0.000 1.053 377 R CB 0.555 30.655 30.300 -0.334 0.000 0.987 377 R HN 0.294 nan 8.270 nan 0.000 0.493 378 I N 2.586 122.857 120.570 -0.498 0.000 2.862 378 I HA 0.189 4.359 4.170 -0.000 0.000 0.285 378 I C -1.943 174.138 176.117 -0.060 0.000 1.339 378 I CA -1.580 59.402 61.300 -0.529 0.000 1.002 378 I CB 1.916 39.144 38.000 -1.288 0.000 1.618 378 I HN -0.125 nan 8.210 nan 0.000 0.593 379 P HA -0.099 nan 4.420 nan 0.000 0.221 379 P C 0.193 177.597 177.300 0.173 0.000 1.150 379 P CA 1.269 64.455 63.100 0.144 0.000 0.800 379 P CB 0.433 32.167 31.700 0.058 0.000 0.787 380 D N -0.048 120.457 120.400 0.174 0.000 2.471 380 D HA 0.392 5.032 4.640 -0.000 0.000 0.245 380 D C -0.917 175.551 176.300 0.281 0.000 1.116 380 D CA -0.794 53.271 54.000 0.108 0.000 0.853 380 D CB 0.564 41.410 40.800 0.077 0.000 1.123 380 D HN -0.073 nan 8.370 nan 0.000 0.540 381 F N 0.347 120.373 119.950 0.126 0.000 2.662 381 F HA 0.812 5.339 4.527 -0.000 0.000 0.312 381 F C -0.930 174.954 175.800 0.139 0.000 1.113 381 F CA -0.916 57.220 58.000 0.227 0.000 0.951 381 F CB 1.175 40.345 39.000 0.284 0.000 1.344 381 F HN 0.049 nan 8.300 nan 0.000 0.462 382 S N 0.952 116.837 115.700 0.309 0.000 2.638 382 S HA 0.635 5.105 4.470 -0.000 0.000 0.274 382 S C -1.147 173.572 174.600 0.198 0.000 1.157 382 S CA -0.815 57.462 58.200 0.128 0.000 0.826 382 S CB 1.790 65.025 63.200 0.059 0.000 1.139 382 S HN 0.592 nan 8.310 nan 0.000 0.474 383 I N 2.035 122.667 120.570 0.104 0.000 2.588 383 I HA 0.220 4.390 4.170 -0.000 0.000 0.283 383 I C 1.039 177.206 176.117 0.085 0.000 1.119 383 I CA -0.342 61.016 61.300 0.096 0.000 1.419 383 I CB -0.073 37.956 38.000 0.049 0.000 1.394 383 I HN 0.825 nan 8.210 nan 0.000 0.562 384 A N 8.726 131.597 122.820 0.084 0.000 2.567 384 A HA 0.219 4.538 4.320 -0.000 0.000 0.240 384 A C -2.101 175.505 177.584 0.037 0.000 1.053 384 A CA -0.631 51.439 52.037 0.056 0.000 0.755 384 A CB -0.952 18.074 19.000 0.044 0.000 0.978 384 A HN 0.506 nan 8.150 nan 0.000 0.507 385 P HA 0.238 nan 4.420 nan 0.000 0.262 385 P C 1.115 178.424 177.300 0.015 0.000 1.182 385 P CA 1.867 64.977 63.100 0.018 0.000 0.761 385 P CB 0.616 32.324 31.700 0.012 0.000 0.795 386 G N 1.955 110.762 108.800 0.013 0.000 2.179 386 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.260 386 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.260 386 G C 0.401 175.310 174.900 0.014 0.000 0.977 386 G CA 0.009 45.115 45.100 0.011 0.000 0.641 386 G HN 0.854 nan 8.290 nan 0.000 0.533 387 A N -0.278 122.553 122.820 0.019 0.000 2.366 387 A HA 0.729 5.049 4.320 -0.000 0.000 0.272 387 A C 0.211 177.808 177.584 0.021 0.000 1.135 387 A CA 0.258 52.309 52.037 0.023 0.000 0.804 387 A CB 0.808 19.828 19.000 0.033 0.000 1.064 387 A HN 0.506 nan 8.150 nan 0.000 0.499 388 Q N 2.435 122.247 119.800 0.019 0.000 2.400 388 Q HA 0.422 4.762 4.340 -0.000 0.000 0.255 388 Q C -0.655 175.357 176.000 0.020 0.000 1.008 388 Q CA -0.381 55.430 55.803 0.013 0.000 0.841 388 Q CB 0.604 29.348 28.738 0.009 0.000 1.220 388 Q HN 0.629 nan 8.270 nan 0.000 0.474 389 I N 3.715 124.298 120.570 0.022 0.000 2.598 389 I HA 0.029 4.199 4.170 -0.000 0.000 0.284 389 I C 0.257 176.397 176.117 0.039 0.000 1.140 389 I CA 0.404 61.733 61.300 0.048 0.000 1.420 389 I CB 0.408 38.454 38.000 0.077 0.000 1.387 389 I HN 0.622 nan 8.210 nan 0.000 0.553 390 Q N 6.160 126.014 119.800 0.089 0.000 2.271 390 Q HA 0.415 4.754 4.340 -0.000 0.000 0.258 390 Q C -0.648 175.503 176.000 0.252 0.000 0.936 390 Q CA -0.476 55.389 55.803 0.104 0.000 0.909 390 Q CB 1.892 30.675 28.738 0.077 0.000 1.253 390 Q HN 0.570 nan 8.270 nan 0.000 0.440 391 H N 1.002 120.128 119.070 0.093 0.000 2.525 391 H HA 0.418 4.974 4.556 -0.000 0.000 0.340 391 H C -0.469 174.935 175.328 0.125 0.000 1.168 391 H CA -0.990 55.139 56.048 0.135 0.000 1.247 391 H CB 1.593 31.505 29.762 0.250 0.000 1.568 391 H HN 0.475 nan 8.280 nan 0.000 0.536 392 K N 0.397 120.942 120.400 0.241 0.000 2.375 392 K HA 0.564 4.884 4.320 -0.000 0.000 0.249 392 K C -1.057 175.676 176.600 0.221 0.000 0.942 392 K CA -0.918 55.479 56.287 0.183 0.000 0.806 392 K CB 2.488 35.055 32.500 0.111 0.000 1.227 392 K HN 0.331 nan 8.250 nan 0.000 0.430 393 S N 0.413 116.244 115.700 0.218 0.000 2.568 393 S HA 0.904 5.374 4.470 -0.000 0.000 0.302 393 S C -0.425 174.272 174.600 0.162 0.000 1.082 393 S CA 0.256 58.617 58.200 0.268 0.000 1.009 393 S CB 1.388 64.787 63.200 0.332 0.000 1.069 393 S HN 1.039 nan 8.310 nan 0.000 0.500 394 G N 2.273 111.128 108.800 0.093 0.000 2.452 394 G HA2 0.161 4.121 3.960 -0.000 0.000 0.224 394 G HA3 0.161 4.121 3.960 -0.000 0.000 0.224 394 G C 0.238 175.032 174.900 -0.176 0.000 1.208 394 G CA -0.248 44.722 45.100 -0.215 0.000 0.946 394 G HN 0.610 nan 8.290 nan 0.000 0.481 395 I N 0.102 120.553 120.570 -0.199 0.000 2.394 395 I HA 0.058 4.227 4.170 -0.000 0.000 0.251 395 I C 0.396 176.418 176.117 -0.158 0.000 1.136 395 I CA 1.144 62.313 61.300 -0.219 0.000 1.425 395 I CB 0.038 37.794 38.000 -0.406 0.000 1.079 395 I HN 0.034 nan 8.210 nan 0.000 0.425 396 V N 0.871 120.725 119.914 -0.099 0.000 2.385 396 V HA 0.232 4.352 4.120 -0.000 0.000 0.277 396 V C 0.044 176.143 176.094 0.008 0.000 1.012 396 V CA -0.617 61.652 62.300 -0.052 0.000 0.832 396 V CB 0.985 32.791 31.823 -0.029 0.000 1.028 396 V HN 0.080 nan 8.190 nan 0.000 0.436 397 S N 2.456 118.169 115.700 0.022 0.000 2.589 397 S HA 0.740 5.210 4.470 -0.000 0.000 0.265 397 S C 0.710 175.434 174.600 0.207 0.000 1.342 397 S CA 0.495 58.775 58.200 0.133 0.000 1.005 397 S CB 1.410 64.686 63.200 0.126 0.000 0.909 397 S HN 1.131 nan 8.310 nan 0.000 0.555 398 G N -0.584 108.302 108.800 0.144 0.000 2.570 398 G HA2 0.520 4.480 3.960 -0.000 0.000 0.310 398 G HA3 0.520 4.480 3.960 -0.000 0.000 0.310 398 G C -1.859 172.737 174.900 -0.507 0.000 1.266 398 G CA -0.539 44.396 45.100 -0.275 0.000 0.825 398 G HN 0.659 nan 8.290 nan 0.000 0.483 399 V N 1.349 120.925 119.914 -0.564 0.000 2.487 399 V HA 0.336 4.456 4.120 -0.000 0.000 0.298 399 V C 0.788 176.800 176.094 -0.135 0.000 1.028 399 V CA -0.593 61.493 62.300 -0.356 0.000 0.860 399 V CB 1.608 33.162 31.823 -0.447 0.000 0.991 399 V HN 0.741 nan 8.190 nan 0.000 0.427 400 Q N 2.636 122.421 119.800 -0.024 0.000 2.119 400 Q HA 0.134 4.474 4.340 -0.000 0.000 0.201 400 Q C 0.647 176.647 176.000 -0.000 0.000 0.972 400 Q CA 1.417 57.221 55.803 0.001 0.000 0.847 400 Q CB 0.374 29.133 28.738 0.034 0.000 0.903 400 Q HN 0.919 nan 8.270 nan 0.000 0.433 401 A N -0.096 122.730 122.820 0.010 0.000 2.599 401 A HA 0.514 4.834 4.320 -0.000 0.000 0.294 401 A C -1.913 175.696 177.584 0.042 0.000 1.055 401 A CA -0.640 51.412 52.037 0.025 0.000 0.683 401 A CB 1.067 20.087 19.000 0.033 0.000 1.278 401 A HN 0.086 nan 8.150 nan 0.000 0.412 402 L N 2.252 123.517 121.223 0.069 0.000 2.462 402 L HA 0.534 4.873 4.340 -0.000 0.000 0.255 402 L C -2.760 174.185 176.870 0.124 0.000 1.076 402 L CA -1.621 53.272 54.840 0.088 0.000 0.920 402 L CB 1.454 43.571 42.059 0.096 0.000 1.214 402 L HN 0.336 nan 8.230 nan 0.000 0.472 403 P HA 0.251 nan 4.420 nan 0.000 0.271 403 P C -1.004 176.386 177.300 0.150 0.000 1.233 403 P CA 0.322 63.488 63.100 0.111 0.000 0.764 403 P CB 0.554 32.297 31.700 0.072 0.000 0.825 404 L N 3.870 125.224 121.223 0.219 0.000 2.354 404 L HA 0.741 5.081 4.340 -0.000 0.000 0.269 404 L C 0.133 177.176 176.870 0.289 0.000 1.005 404 L CA -1.202 53.838 54.840 0.334 0.000 0.819 404 L CB 2.198 44.550 42.059 0.487 0.000 1.311 404 L HN 0.147 nan 8.230 nan 0.000 0.423 405 V N -0.983 119.125 119.914 0.323 0.000 3.040 405 V HA 0.840 4.960 4.120 -0.000 0.000 0.312 405 V C -1.607 174.716 176.094 0.382 0.000 1.115 405 V CA -0.602 61.754 62.300 0.092 0.000 0.998 405 V CB 1.860 33.690 31.823 0.012 0.000 1.042 405 V HN 0.979 nan 8.190 nan 0.000 0.433 406 W N 0.634 122.009 121.300 0.125 0.000 3.161 406 W HA 0.677 5.336 4.660 -0.000 0.000 0.314 406 W C -1.750 174.810 176.519 0.068 0.000 1.245 406 W CA -0.686 56.733 57.345 0.123 0.000 1.191 406 W CB 0.778 30.346 29.460 0.181 0.000 1.392 406 W HN 0.701 nan 8.180 nan 0.000 0.568 407 D N 2.496 123.062 120.400 0.276 0.000 2.336 407 D HA 0.315 4.955 4.640 -0.000 0.000 0.249 407 D C -1.434 175.015 176.300 0.247 0.000 1.213 407 D CA -2.290 51.802 54.000 0.153 0.000 0.870 407 D CB 1.780 42.651 40.800 0.118 0.000 1.076 407 D HN 0.094 nan 8.370 nan 0.000 0.483 408 P HA -0.126 nan 4.420 nan 0.000 0.218 408 P C 0.901 178.283 177.300 0.136 0.000 1.146 408 P CA 1.275 64.496 63.100 0.202 0.000 0.813 408 P CB 0.201 31.955 31.700 0.090 0.000 0.778 409 A N -0.570 122.307 122.820 0.095 0.000 2.070 409 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 409 A C 2.012 179.636 177.584 0.065 0.000 1.159 409 A CA 2.047 54.122 52.037 0.064 0.000 0.656 409 A CB -1.656 17.372 19.000 0.047 0.000 0.800 409 A HN 0.350 nan 8.150 nan 0.000 0.453 410 T N -2.580 112.030 114.554 0.093 0.000 3.107 410 T HA 0.193 4.543 4.350 -0.000 0.000 0.249 410 T C 0.771 175.501 174.700 0.051 0.000 1.096 410 T CA 0.691 62.835 62.100 0.074 0.000 1.012 410 T CB -0.776 68.148 68.868 0.093 0.000 0.977 410 T HN 0.526 nan 8.240 nan 0.000 0.527 411 T N -0.254 114.331 114.554 0.052 0.000 2.923 411 T HA 0.677 5.027 4.350 -0.000 0.000 0.281 411 T C -0.842 173.847 174.700 -0.017 0.000 0.995 411 T CA -0.963 61.129 62.100 -0.014 0.000 0.985 411 T CB 1.922 70.775 68.868 -0.024 0.000 1.114 411 T HN 0.603 nan 8.240 nan 0.000 0.548 412 K N -0.340 120.028 120.400 -0.052 0.000 2.542 412 K HA 0.687 5.007 4.320 -0.000 0.000 0.259 412 K C -1.228 175.340 176.600 -0.055 0.000 0.932 412 K CA -1.179 55.086 56.287 -0.037 0.000 0.820 412 K CB 1.797 34.281 32.500 -0.028 0.000 1.345 412 K HN 0.793 nan 8.250 nan 0.000 0.432 413 A N 2.662 125.460 122.820 -0.037 0.000 2.366 413 A HA 0.560 4.880 4.320 -0.000 0.000 0.272 413 A C -0.196 177.368 177.584 -0.033 0.000 1.135 413 A CA -0.474 51.539 52.037 -0.039 0.000 0.804 413 A CB 0.541 19.527 19.000 -0.023 0.000 1.064 413 A HN 0.471 nan 8.150 nan 0.000 0.499 414 V N 0.000 119.891 119.914 -0.038 0.000 2.409 414 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 414 V CA 0.000 62.285 62.300 -0.026 0.000 1.235 414 V CB 0.000 31.805 31.823 -0.030 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556