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 2iuz_1_B DATA FIRST_RESID 39 DATA SEQUENCE ASSGYRSVVY FVNWAIYGRN HNPQDLPVER LTHVLYAFAN VRPETGEVYM DATA SEQUENCE TDSWADIEKH YPGDSWSDTG NNVYGCIKQL YLLKKQNRNL KVLLSIGGWT DATA SEQUENCE YSPNFAPAAS TDAGRKNFAK TAVKLLQDLG FDGLDIDWEY PENDQQANDF DATA SEQUENCE VLLLKEVRTA LDSYSAANAG GQHFLLTVAS PAGPDKIKVL HLKDMDQQLD DATA SEQUENCE FWNLMAYDYA GSFSSLSGHQ ANVYNDTSNP LSTPFNTQTA LDLYRAGGVP DATA SEQUENCE ANKIVLGMPL YGRSFANTDG PGKPYNGVGQ GSWENGVWDY KALPQAGATE DATA SEQUENCE HVLPDIMASY SYDATNKFLI SYDNPQVANL KSGYIKSLGL GGAMWWDSSS DATA SEQUENCE DKTGSDSLIT TVVNALGGTG VFEQSQNELD YPVSQYDNLR NGMQT 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 39 A HA 0.000 nan 4.320 nan 0.000 0.244 39 A C 0.000 177.590 177.584 0.009 0.000 1.274 39 A CA 0.000 52.044 52.037 0.012 0.000 0.836 39 A CB 0.000 19.008 19.000 0.013 0.000 0.831 40 S N -0.183 115.526 115.700 0.015 0.000 2.558 40 S HA 0.731 5.202 4.470 0.001 0.000 0.277 40 S C -0.206 174.398 174.600 0.005 0.000 1.143 40 S CA 0.123 58.327 58.200 0.006 0.000 0.865 40 S CB 0.814 64.017 63.200 0.005 0.000 1.102 40 S HN 2.362 nan 8.310 nan 0.000 0.454 41 S N 1.460 117.151 115.700 -0.014 0.000 2.589 41 S HA 0.851 5.322 4.470 0.001 0.000 0.265 41 S C 0.736 175.301 174.600 -0.059 0.000 1.342 41 S CA 0.211 58.391 58.200 -0.034 0.000 1.005 41 S CB 0.368 63.537 63.200 -0.052 0.000 0.909 41 S HN 2.360 nan 8.310 nan 0.000 0.555 42 G N -0.170 108.567 108.800 -0.104 0.000 2.327 42 G HA2 0.360 4.321 3.960 0.001 0.000 0.291 42 G HA3 0.360 4.321 3.960 0.001 0.000 0.291 42 G C -1.897 172.900 174.900 -0.171 0.000 1.290 42 G CA -1.038 43.960 45.100 -0.170 0.000 0.857 42 G HN 0.628 nan 8.290 nan 0.000 0.520 43 Y N 0.893 121.238 120.300 0.075 0.000 2.336 43 Y HA 0.598 5.148 4.550 0.001 0.000 0.331 43 Y C 1.536 177.388 175.900 -0.080 0.000 1.211 43 Y CA -0.015 58.096 58.100 0.018 0.000 1.346 43 Y CB 0.750 39.267 38.460 0.095 0.000 1.271 43 Y HN 0.321 nan 8.280 nan 0.000 0.538 44 R N 0.647 121.129 120.500 -0.030 0.000 2.536 44 R HA 0.575 4.915 4.340 0.001 0.000 0.279 44 R C -0.630 175.534 176.300 -0.226 0.000 1.001 44 R CA -0.840 55.134 56.100 -0.209 0.000 1.027 44 R CB 1.508 31.536 30.300 -0.454 0.000 1.096 44 R HN 0.555 nan 8.270 nan 0.000 0.502 45 S N 1.698 117.236 115.700 -0.270 0.000 2.745 45 S HA 0.370 4.841 4.470 0.001 0.000 0.283 45 S C -1.030 173.621 174.600 0.084 0.000 1.170 45 S CA -0.642 57.504 58.200 -0.089 0.000 1.119 45 S CB 0.743 63.784 63.200 -0.265 0.000 1.035 45 S HN 0.297 nan 8.310 nan 0.000 0.483 46 V N 4.929 124.923 119.914 0.133 0.000 2.555 46 V HA 0.772 4.893 4.120 0.001 0.000 0.302 46 V C -0.258 176.012 176.094 0.293 0.000 1.038 46 V CA -0.701 61.700 62.300 0.168 0.000 0.887 46 V CB 1.644 33.506 31.823 0.065 0.000 0.991 46 V HN 0.609 nan 8.190 nan 0.000 0.434 47 V N 4.818 124.867 119.914 0.226 0.000 2.841 47 V HA 0.568 4.689 4.120 0.001 0.000 0.310 47 V C -1.534 174.606 176.094 0.077 0.000 1.090 47 V CA -0.566 61.892 62.300 0.264 0.000 0.930 47 V CB 2.297 34.277 31.823 0.263 0.000 1.014 47 V HN 0.754 nan 8.190 nan 0.000 0.425 48 Y N 5.131 125.447 120.300 0.028 0.000 2.319 48 Y HA 0.454 5.005 4.550 0.001 0.000 0.328 48 Y C -0.242 175.479 175.900 -0.297 0.000 1.133 48 Y CA 0.244 58.232 58.100 -0.187 0.000 1.265 48 Y CB 1.349 39.512 38.460 -0.495 0.000 1.218 48 Y HN 0.634 nan 8.280 nan 0.000 0.508 49 F N 5.042 124.865 119.950 -0.212 0.000 2.427 49 F HA 0.551 5.079 4.527 0.001 0.000 0.348 49 F C -0.857 174.628 175.800 -0.525 0.000 1.125 49 F CA -1.247 56.598 58.000 -0.257 0.000 0.989 49 F CB 0.639 39.596 39.000 -0.071 0.000 1.165 49 F HN 0.221 nan 8.300 nan 0.000 0.442 50 V N 4.275 123.325 119.914 -1.440 0.000 2.439 50 V HA 0.309 4.430 4.120 0.001 0.000 0.282 50 V C 0.744 175.989 176.094 -1.414 0.000 1.039 50 V CA -0.494 60.796 62.300 -1.683 0.000 0.913 50 V CB 1.217 31.514 31.823 -2.543 0.000 0.983 50 V HN 0.870 nan 8.190 nan 0.000 0.460 51 N N 4.293 122.445 118.700 -0.914 0.000 2.364 51 N HA -0.172 4.569 4.740 0.001 0.000 0.183 51 N C 1.124 176.564 175.510 -0.117 0.000 1.022 51 N CA 1.860 54.734 53.050 -0.293 0.000 0.883 51 N CB -0.699 37.727 38.487 -0.103 0.000 0.965 51 N HN 0.983 nan 8.380 nan 0.000 0.438 52 W N -1.186 120.058 121.300 -0.092 0.000 3.180 52 W HA 0.594 5.254 4.660 0.001 0.000 0.254 52 W C 1.584 178.049 176.519 -0.091 0.000 1.318 52 W CA -0.190 57.206 57.345 0.084 0.000 1.608 52 W CB -0.431 29.096 29.460 0.112 0.000 1.124 52 W HN 0.120 nan 8.180 nan 0.000 0.694 53 A N 2.064 124.541 122.820 -0.572 0.000 2.067 53 A HA -0.084 4.236 4.320 0.001 0.000 0.219 53 A C 1.872 179.311 177.584 -0.242 0.000 1.158 53 A CA 1.445 53.174 52.037 -0.512 0.000 0.661 53 A CB -0.986 17.563 19.000 -0.751 0.000 0.801 53 A HN 0.661 nan 8.150 nan 0.000 0.452 54 I N -4.564 115.872 120.570 -0.222 0.000 3.176 54 I HA 0.013 4.184 4.170 0.001 0.000 0.275 54 I C 1.522 177.503 176.117 -0.226 0.000 1.298 54 I CA 0.537 61.730 61.300 -0.179 0.000 1.445 54 I CB -0.370 37.507 38.000 -0.206 0.000 1.075 54 I HN 0.216 nan 8.210 nan 0.000 0.482 55 Y N 1.845 122.174 120.300 0.048 0.000 3.255 55 Y HA 0.431 4.982 4.550 0.001 0.000 0.254 55 Y C 2.596 178.479 175.900 -0.028 0.000 0.887 55 Y CA 0.875 59.010 58.100 0.057 0.000 1.161 55 Y CB -1.297 37.214 38.460 0.084 0.000 1.152 55 Y HN -0.100 nan 8.280 nan 0.000 0.513 56 G N 0.009 108.876 108.800 0.112 0.000 2.442 56 G HA2 -0.229 3.732 3.960 0.001 0.000 0.219 56 G HA3 -0.229 3.732 3.960 0.001 0.000 0.219 56 G C 1.506 176.212 174.900 -0.323 0.000 1.141 56 G CA 0.879 45.971 45.100 -0.014 0.000 0.763 56 G HN 0.325 nan 8.290 nan 0.000 0.554 57 R N -0.311 119.758 120.500 -0.718 0.000 2.237 57 R HA -0.008 4.333 4.340 0.001 0.000 0.219 57 R C 1.053 177.268 176.300 -0.140 0.000 1.080 57 R CA 0.453 56.159 56.100 -0.656 0.000 0.995 57 R CB -0.248 29.605 30.300 -0.744 0.000 0.875 57 R HN 0.346 nan 8.270 nan 0.000 0.462 58 N N 1.052 119.718 118.700 -0.056 0.000 2.699 58 N HA -0.260 4.481 4.740 0.001 0.000 0.256 58 N C -1.497 174.070 175.510 0.095 0.000 0.993 58 N CA 0.773 53.851 53.050 0.048 0.000 0.759 58 N CB -1.138 37.401 38.487 0.088 0.000 0.906 58 N HN 0.455 nan 8.380 nan 0.000 0.541 59 H N 0.476 119.512 119.070 -0.057 0.000 2.658 59 H HA 0.569 5.126 4.556 0.001 0.000 0.337 59 H C -0.752 174.638 175.328 0.104 0.000 1.009 59 H CA -0.774 55.261 56.048 -0.021 0.000 1.231 59 H CB 0.565 30.247 29.762 -0.133 0.000 1.508 59 H HN 0.239 nan 8.280 nan 0.000 0.517 60 N N 5.136 123.706 118.700 -0.216 0.000 2.404 60 N HA 0.176 4.917 4.740 0.001 0.000 0.297 60 N C -2.059 173.192 175.510 -0.431 0.000 1.163 60 N CA -1.971 50.974 53.050 -0.176 0.000 0.864 60 N CB 1.785 40.129 38.487 -0.238 0.000 1.247 60 N HN 0.420 nan 8.380 nan 0.000 0.510 61 P HA -0.145 nan 4.420 nan 0.000 0.216 61 P C 0.829 177.829 177.300 -0.499 0.000 1.150 61 P CA 1.636 64.227 63.100 -0.849 0.000 0.843 61 P CB 0.340 31.497 31.700 -0.906 0.000 0.787 62 Q N -0.696 118.825 119.800 -0.465 0.000 2.297 62 Q HA -0.164 4.177 4.340 0.001 0.000 0.208 62 Q C 1.387 177.247 176.000 -0.235 0.000 0.981 62 Q CA 1.315 56.920 55.803 -0.330 0.000 0.876 62 Q CB -0.831 27.710 28.738 -0.330 0.000 0.921 62 Q HN 0.366 nan 8.270 nan 0.000 0.446 63 D N -0.467 119.780 120.400 -0.254 0.000 2.355 63 D HA 0.024 4.664 4.640 0.001 0.000 0.218 63 D C 0.048 176.313 176.300 -0.059 0.000 1.004 63 D CA 0.170 54.084 54.000 -0.142 0.000 0.880 63 D CB 0.162 40.878 40.800 -0.141 0.000 0.911 63 D HN 0.265 nan 8.370 nan 0.000 0.528 64 L N 2.618 123.782 121.223 -0.098 0.000 2.485 64 L HA 0.082 4.423 4.340 0.001 0.000 0.275 64 L C -1.635 175.227 176.870 -0.013 0.000 1.207 64 L CA -1.098 53.736 54.840 -0.009 0.000 0.855 64 L CB 0.183 42.216 42.059 -0.043 0.000 1.114 64 L HN -0.184 nan 8.230 nan 0.000 0.485 65 P HA 0.016 nan 4.420 nan 0.000 0.225 65 P C 1.004 178.317 177.300 0.021 0.000 1.813 65 P CA -0.219 62.885 63.100 0.007 0.000 1.013 65 P CB 0.212 31.911 31.700 -0.002 0.000 1.961 66 V N 0.694 120.608 119.914 0.000 0.000 2.453 66 V HA -0.269 3.852 4.120 0.001 0.000 0.252 66 V C 1.846 177.970 176.094 0.050 0.000 1.068 66 V CA 1.572 63.875 62.300 0.006 0.000 1.070 66 V CB -1.501 30.301 31.823 -0.035 0.000 0.664 66 V HN 0.214 nan 8.190 nan 0.000 0.461 67 E N 0.279 120.510 120.200 0.052 0.000 2.347 67 E HA -0.033 4.318 4.350 0.001 0.000 0.196 67 E C 1.909 178.618 176.600 0.181 0.000 1.008 67 E CA 0.661 57.111 56.400 0.082 0.000 0.852 67 E CB -0.105 29.617 29.700 0.036 0.000 0.783 67 E HN 0.628 nan 8.360 nan 0.000 0.505 68 R N 0.219 120.839 120.500 0.200 0.000 2.507 68 R HA 0.285 4.626 4.340 0.001 0.000 0.298 68 R C -0.275 176.259 176.300 0.390 0.000 0.999 68 R CA -0.036 56.272 56.100 0.347 0.000 1.082 68 R CB 0.449 30.857 30.300 0.179 0.000 1.246 68 R HN 0.003 nan 8.270 nan 0.000 0.553 69 L N -1.225 120.145 121.223 0.245 0.000 2.350 69 L HA 0.392 4.733 4.340 0.001 0.000 0.260 69 L C 1.095 177.926 176.870 -0.064 0.000 1.015 69 L CA -0.530 54.341 54.840 0.051 0.000 0.821 69 L CB 2.354 44.459 42.059 0.076 0.000 1.370 69 L HN -0.017 nan 8.230 nan 0.000 0.416 70 T N -4.193 110.268 114.554 -0.156 0.000 2.999 70 T HA 0.266 4.617 4.350 0.001 0.000 0.247 70 T C 0.201 174.755 174.700 -0.244 0.000 1.012 70 T CA 0.179 62.174 62.100 -0.175 0.000 1.048 70 T CB 0.083 68.856 68.868 -0.157 0.000 1.020 70 T HN 0.531 nan 8.240 nan 0.000 0.478 71 H N -0.315 118.751 119.070 -0.007 0.000 2.806 71 H HA 0.754 5.310 4.556 0.001 0.000 0.367 71 H C -1.487 173.870 175.328 0.048 0.000 1.136 71 H CA -0.739 55.344 56.048 0.058 0.000 1.178 71 H CB 2.232 32.078 29.762 0.140 0.000 1.718 71 H HN 0.044 nan 8.280 nan 0.000 0.540 72 V N 3.891 123.896 119.914 0.152 0.000 2.487 72 V HA 0.305 4.426 4.120 0.001 0.000 0.298 72 V C -0.513 175.620 176.094 0.064 0.000 1.028 72 V CA -0.708 61.649 62.300 0.094 0.000 0.860 72 V CB 1.562 33.423 31.823 0.063 0.000 0.991 72 V HN 0.526 nan 8.190 nan 0.000 0.427 73 L N 5.124 126.319 121.223 -0.046 0.000 2.265 73 L HA 0.460 4.801 4.340 0.001 0.000 0.289 73 L C -0.918 175.950 176.870 -0.004 0.000 1.033 73 L CA -0.640 54.120 54.840 -0.133 0.000 0.814 73 L CB 0.935 42.649 42.059 -0.575 0.000 1.203 73 L HN 0.606 nan 8.230 nan 0.000 0.423 74 Y N 3.617 123.868 120.300 -0.083 0.000 2.425 74 Y HA 0.531 5.082 4.550 0.001 0.000 0.347 74 Y C 0.158 176.012 175.900 -0.077 0.000 0.976 74 Y CA -0.811 57.267 58.100 -0.036 0.000 1.190 74 Y CB 0.949 39.403 38.460 -0.010 0.000 1.136 74 Y HN 0.605 nan 8.280 nan 0.000 0.517 75 A N 6.530 128.991 122.820 -0.597 0.000 2.292 75 A HA 0.759 5.080 4.320 0.001 0.000 0.319 75 A C -1.645 175.580 177.584 -0.598 0.000 1.206 75 A CA -0.282 51.269 52.037 -0.811 0.000 0.835 75 A CB 0.228 18.279 19.000 -1.582 0.000 1.164 75 A HN 0.628 nan 8.150 nan 0.000 0.505 76 F N 0.220 120.197 119.950 0.044 0.000 2.626 76 F HA 0.683 5.210 4.527 0.001 0.000 0.311 76 F C 0.414 176.278 175.800 0.106 0.000 1.088 76 F CA -0.474 57.624 58.000 0.163 0.000 0.949 76 F CB 2.172 41.402 39.000 0.384 0.000 1.322 76 F HN 0.754 nan 8.300 nan 0.000 0.461 77 A N 1.766 124.736 122.820 0.250 0.000 2.306 77 A HA 0.670 4.990 4.320 0.001 0.000 0.330 77 A C -0.670 176.715 177.584 -0.331 0.000 1.146 77 A CA -0.487 51.509 52.037 -0.069 0.000 0.827 77 A CB 0.942 19.890 19.000 -0.087 0.000 1.178 77 A HN 0.684 nan 8.150 nan 0.000 0.490 78 N N -0.384 117.789 118.700 -0.879 0.000 2.485 78 N HA 0.545 5.286 4.740 0.001 0.000 0.280 78 N C -1.428 173.581 175.510 -0.834 0.000 1.205 78 N CA -0.403 51.891 53.050 -1.261 0.000 0.959 78 N CB 1.746 39.116 38.487 -1.862 0.000 1.206 78 N HN 0.568 nan 8.380 nan 0.000 0.545 79 V N 1.646 121.191 119.914 -0.615 0.000 2.525 79 V HA 0.474 4.595 4.120 0.001 0.000 0.299 79 V C -0.574 175.416 176.094 -0.173 0.000 1.034 79 V CA -0.808 61.282 62.300 -0.349 0.000 0.863 79 V CB 1.043 32.630 31.823 -0.392 0.000 0.999 79 V HN 0.653 nan 8.190 nan 0.000 0.423 80 R N 8.226 128.734 120.500 0.012 0.000 2.370 80 R HA 0.246 4.587 4.340 0.001 0.000 0.309 80 R C -1.450 174.819 176.300 -0.052 0.000 1.059 80 R CA -1.093 55.008 56.100 0.002 0.000 0.981 80 R CB 1.131 31.419 30.300 -0.019 0.000 0.972 80 R HN 0.629 nan 8.270 nan 0.000 0.437 81 P HA -0.217 nan 4.420 nan 0.000 0.218 81 P C 0.473 177.749 177.300 -0.040 0.000 1.148 81 P CA 1.408 64.463 63.100 -0.075 0.000 0.822 81 P CB 0.283 31.939 31.700 -0.074 0.000 0.784 82 E N 0.152 120.333 120.200 -0.032 0.000 2.299 82 E HA -0.058 4.293 4.350 0.001 0.000 0.193 82 E C 1.479 178.072 176.600 -0.012 0.000 0.998 82 E CA 1.707 58.095 56.400 -0.020 0.000 0.851 82 E CB -1.212 28.474 29.700 -0.024 0.000 0.795 82 E HN 0.363 nan 8.360 nan 0.000 0.492 83 T N -4.382 110.165 114.554 -0.013 0.000 2.954 83 T HA 0.422 4.773 4.350 0.001 0.000 0.252 83 T C 1.530 176.247 174.700 0.028 0.000 0.983 83 T CA 0.630 62.730 62.100 0.000 0.000 0.941 83 T CB 0.543 69.399 68.868 -0.019 0.000 1.141 83 T HN 0.314 nan 8.240 nan 0.000 0.500 84 G N 1.736 110.557 108.800 0.036 0.000 2.176 84 G HA2 -0.270 3.691 3.960 0.001 0.000 0.253 84 G HA3 -0.270 3.691 3.960 0.001 0.000 0.253 84 G C -0.145 174.797 174.900 0.071 0.000 0.979 84 G CA 0.276 45.443 45.100 0.111 0.000 0.641 84 G HN 0.927 nan 8.290 nan 0.000 0.530 85 E N 0.569 120.773 120.200 0.007 0.000 2.376 85 E HA 0.375 4.725 4.350 0.001 0.000 0.266 85 E C 0.129 176.701 176.600 -0.046 0.000 1.009 85 E CA -0.331 56.052 56.400 -0.028 0.000 0.902 85 E CB 0.651 30.328 29.700 -0.038 0.000 0.972 85 E HN 0.145 nan 8.360 nan 0.000 0.439 86 V N 6.279 126.089 119.914 -0.172 0.000 2.439 86 V HA 0.323 4.444 4.120 0.001 0.000 0.282 86 V C -0.737 175.351 176.094 -0.011 0.000 1.039 86 V CA -0.335 61.806 62.300 -0.266 0.000 0.913 86 V CB 0.446 31.923 31.823 -0.577 0.000 0.983 86 V HN 0.612 nan 8.190 nan 0.000 0.460 87 Y N 3.187 123.369 120.300 -0.197 0.000 2.571 87 Y HA 0.760 5.311 4.550 0.001 0.000 0.341 87 Y C -0.720 175.146 175.900 -0.055 0.000 1.076 87 Y CA -1.994 56.044 58.100 -0.103 0.000 1.029 87 Y CB 1.088 39.491 38.460 -0.094 0.000 1.308 87 Y HN 0.375 nan 8.280 nan 0.000 0.461 88 M N 2.143 121.807 119.600 0.105 0.000 2.245 88 M HA 0.190 4.670 4.480 0.001 0.000 0.330 88 M C 0.875 177.228 176.300 0.089 0.000 1.098 88 M CA 0.678 56.040 55.300 0.103 0.000 1.172 88 M CB 0.577 33.295 32.600 0.198 0.000 1.467 88 M HN 0.994 nan 8.290 nan 0.000 0.454 89 T N -3.552 111.063 114.554 0.102 0.000 3.044 89 T HA 0.183 4.534 4.350 0.001 0.000 0.260 89 T C -0.041 174.796 174.700 0.228 0.000 1.019 89 T CA -0.220 61.958 62.100 0.129 0.000 0.921 89 T CB 0.248 69.186 68.868 0.117 0.000 1.053 89 T HN 0.583 nan 8.240 nan 0.000 0.533 90 D N 1.527 122.083 120.400 0.260 0.000 2.337 90 D HA 0.235 4.876 4.640 0.001 0.000 0.238 90 D C 1.223 177.703 176.300 0.299 0.000 1.331 90 D CA 0.091 54.274 54.000 0.306 0.000 0.967 90 D CB 1.539 42.564 40.800 0.374 0.000 1.382 90 D HN 0.138 nan 8.370 nan 0.000 0.549 91 S N 3.096 118.962 115.700 0.276 0.000 2.387 91 S HA -0.172 4.299 4.470 0.001 0.000 0.230 91 S C 1.937 176.712 174.600 0.292 0.000 1.035 91 S CA 0.468 58.819 58.200 0.251 0.000 1.014 91 S CB -0.615 62.721 63.200 0.225 0.000 0.836 91 S HN 0.729 nan 8.310 nan 0.000 0.466 92 W N 2.481 123.878 121.300 0.161 0.000 2.353 92 W HA -0.115 4.546 4.660 0.001 0.000 0.319 92 W C 2.546 179.141 176.519 0.126 0.000 1.207 92 W CA 1.515 58.947 57.345 0.145 0.000 1.291 92 W CB -0.691 28.875 29.460 0.177 0.000 1.159 92 W HN 0.462 nan 8.180 nan 0.000 0.478 93 A N 0.874 123.785 122.820 0.151 0.000 1.873 93 A HA -0.223 4.098 4.320 0.001 0.000 0.215 93 A C 1.677 179.300 177.584 0.066 0.000 1.186 93 A CA 2.080 54.107 52.037 -0.016 0.000 0.616 93 A CB -1.110 17.973 19.000 0.139 0.000 0.823 93 A HN 0.301 nan 8.150 nan 0.000 0.442 94 D N -0.100 120.408 120.400 0.180 0.000 2.078 94 D HA -0.124 4.516 4.640 0.001 0.000 0.193 94 D C 1.805 178.112 176.300 0.013 0.000 0.990 94 D CA 2.165 56.274 54.000 0.181 0.000 0.827 94 D CB -0.234 40.706 40.800 0.233 0.000 0.975 94 D HN 0.714 nan 8.370 nan 0.000 0.451 95 I N -3.528 117.047 120.570 0.009 0.000 4.730 95 I HA 0.262 4.433 4.170 0.001 0.000 0.332 95 I C 1.193 177.336 176.117 0.044 0.000 1.299 95 I CA -0.099 61.170 61.300 -0.052 0.000 1.294 95 I CB 0.358 38.287 38.000 -0.119 0.000 1.317 95 I HN -0.245 nan 8.210 nan 0.000 0.457 96 E N 2.189 122.421 120.200 0.054 0.000 2.276 96 E HA 0.098 4.449 4.350 0.001 0.000 0.193 96 E C 0.636 177.153 176.600 -0.139 0.000 0.983 96 E CA -0.150 56.325 56.400 0.124 0.000 0.861 96 E CB 0.368 30.231 29.700 0.271 0.000 0.817 96 E HN 0.300 nan 8.360 nan 0.000 0.485 97 K N 1.564 121.546 120.400 -0.695 0.000 2.524 97 K HA -0.057 4.264 4.320 0.001 0.000 0.279 97 K C -0.798 175.424 176.600 -0.630 0.000 0.993 97 K CA 0.217 55.717 56.287 -1.312 0.000 1.030 97 K CB 0.339 31.872 32.500 -1.612 0.000 0.891 97 K HN -0.059 nan 8.250 nan 0.000 0.488 98 H N 2.248 120.887 119.070 -0.718 0.000 2.489 98 H HA 0.273 4.830 4.556 0.001 0.000 0.322 98 H C -1.179 173.811 175.328 -0.563 0.000 1.091 98 H CA -0.029 55.689 56.048 -0.550 0.000 1.291 98 H CB 0.420 29.896 29.762 -0.477 0.000 1.436 98 H HN 0.405 nan 8.280 nan 0.000 0.480 99 Y N 3.024 123.135 120.300 -0.315 0.000 2.587 99 Y HA 0.335 4.886 4.550 0.001 0.000 0.337 99 Y C -1.948 173.803 175.900 -0.248 0.000 1.065 99 Y CA -2.738 55.226 58.100 -0.227 0.000 1.126 99 Y CB 1.047 39.379 38.460 -0.213 0.000 1.279 99 Y HN 0.626 nan 8.280 nan 0.000 0.489 100 P HA 0.140 nan 4.420 nan 0.000 0.264 100 P C 0.435 177.683 177.300 -0.087 0.000 1.193 100 P CA 1.797 64.867 63.100 -0.050 0.000 0.763 100 P CB 0.384 32.072 31.700 -0.020 0.000 0.810 101 G N 1.871 110.597 108.800 -0.124 0.000 2.195 101 G HA2 -0.161 3.800 3.960 0.001 0.000 0.224 101 G HA3 -0.161 3.800 3.960 0.001 0.000 0.224 101 G C -0.228 174.566 174.900 -0.176 0.000 0.990 101 G CA -0.436 44.592 45.100 -0.120 0.000 0.639 101 G HN 0.502 nan 8.290 nan 0.000 0.514 102 D N 0.824 121.018 120.400 -0.342 0.000 2.225 102 D HA 0.619 5.259 4.640 0.001 0.000 0.248 102 D C -0.074 175.848 176.300 -0.630 0.000 1.096 102 D CA 0.549 54.202 54.000 -0.578 0.000 0.863 102 D CB 1.698 41.740 40.800 -1.264 0.000 1.156 102 D HN 0.199 nan 8.370 nan 0.000 0.450 103 S N 1.579 117.064 115.700 -0.358 0.000 2.541 103 S HA 0.260 4.731 4.470 0.001 0.000 0.280 103 S C -0.111 174.479 174.600 -0.018 0.000 1.112 103 S CA -0.858 57.212 58.200 -0.218 0.000 0.925 103 S CB 0.563 63.727 63.200 -0.061 0.000 1.067 103 S HN 0.568 nan 8.310 nan 0.000 0.479 104 W N 2.317 123.664 121.300 0.078 0.000 2.961 104 W HA 0.020 4.680 4.660 0.001 0.000 0.240 104 W C 2.362 178.927 176.519 0.077 0.000 1.305 104 W CA 0.251 57.636 57.345 0.066 0.000 1.465 104 W CB 0.085 29.553 29.460 0.013 0.000 1.135 104 W HN 0.875 nan 8.180 nan 0.000 0.688 105 S N -0.698 115.156 115.700 0.257 0.000 2.469 105 S HA -0.127 4.343 4.470 0.001 0.000 0.238 105 S C 0.421 175.120 174.600 0.164 0.000 0.998 105 S CA 0.600 58.902 58.200 0.169 0.000 0.957 105 S CB -0.444 62.818 63.200 0.103 0.000 0.764 105 S HN 0.003 nan 8.310 nan 0.000 0.514 106 D N 3.458 123.988 120.400 0.215 0.000 2.450 106 D HA 0.214 4.855 4.640 0.001 0.000 0.247 106 D C 0.709 177.116 176.300 0.178 0.000 1.162 106 D CA 0.550 54.662 54.000 0.187 0.000 0.879 106 D CB 1.197 42.143 40.800 0.243 0.000 1.163 106 D HN 0.556 nan 8.370 nan 0.000 0.472 107 T N -0.917 113.705 114.554 0.113 0.000 2.847 107 T HA 0.597 4.948 4.350 0.001 0.000 0.279 107 T C 0.892 175.640 174.700 0.081 0.000 0.984 107 T CA -0.043 62.111 62.100 0.090 0.000 0.988 107 T CB 1.551 70.454 68.868 0.058 0.000 1.040 107 T HN 0.611 nan 8.240 nan 0.000 0.528 108 G N 1.474 110.311 108.800 0.063 0.000 2.593 108 G HA2 -0.207 3.754 3.960 0.001 0.000 0.237 108 G HA3 -0.207 3.754 3.960 0.001 0.000 0.237 108 G C -0.395 174.551 174.900 0.077 0.000 1.312 108 G CA -0.061 45.069 45.100 0.050 0.000 0.896 108 G HN 1.135 nan 8.290 nan 0.000 0.574 109 N N 1.694 120.437 118.700 0.071 0.000 2.426 109 N HA 0.433 5.173 4.740 0.001 0.000 0.257 109 N C -0.489 175.149 175.510 0.214 0.000 1.002 109 N CA -0.437 52.688 53.050 0.125 0.000 0.942 109 N CB 0.192 38.705 38.487 0.043 0.000 1.112 109 N HN 0.573 nan 8.380 nan 0.000 0.499 110 N N 1.466 120.303 118.700 0.228 0.000 2.335 110 N HA 0.357 5.098 4.740 0.001 0.000 0.304 110 N C -1.395 173.964 175.510 -0.252 0.000 1.135 110 N CA -0.535 52.527 53.050 0.020 0.000 0.817 110 N CB 2.513 40.970 38.487 -0.049 0.000 1.294 110 N HN 0.219 nan 8.380 nan 0.000 0.497 111 V N 2.211 121.701 119.914 -0.707 0.000 2.459 111 V HA 0.498 4.619 4.120 0.001 0.000 0.295 111 V C -1.195 174.359 176.094 -0.899 0.000 1.029 111 V CA -0.112 61.662 62.300 -0.876 0.000 0.874 111 V CB 0.402 31.493 31.823 -1.220 0.000 0.985 111 V HN 0.624 nan 8.190 nan 0.000 0.438 112 Y N 4.341 124.514 120.300 -0.210 0.000 3.326 112 Y HA 0.823 5.374 4.550 0.001 0.000 0.306 112 Y C 1.382 177.180 175.900 -0.170 0.000 1.652 112 Y CA 0.291 58.291 58.100 -0.167 0.000 0.810 112 Y CB -0.176 38.221 38.460 -0.105 0.000 1.269 112 Y HN 0.937 nan 8.280 nan 0.000 0.744 113 G N 0.158 108.998 108.800 0.068 0.000 2.598 113 G HA2 -0.294 3.667 3.960 0.001 0.000 0.269 113 G HA3 -0.294 3.667 3.960 0.001 0.000 0.269 113 G C 0.850 175.776 174.900 0.044 0.000 1.289 113 G CA -0.075 45.018 45.100 -0.013 0.000 0.926 113 G HN 0.827 nan 8.290 nan 0.000 0.567 114 C N -0.102 119.196 119.300 -0.004 0.000 2.422 114 C HA -0.041 4.420 4.460 0.001 0.000 0.279 114 C C 3.007 177.777 174.990 -0.366 0.000 1.305 114 C CA 1.102 60.013 59.018 -0.179 0.000 1.757 114 C CB -1.412 26.294 27.740 -0.057 0.000 1.962 114 C HN 0.526 nan 8.230 nan 0.000 0.499 115 I N 1.657 122.010 120.570 -0.362 0.000 2.163 115 I HA -0.208 3.963 4.170 0.001 0.000 0.243 115 I C 2.550 178.442 176.117 -0.375 0.000 1.085 115 I CA 1.762 62.796 61.300 -0.443 0.000 1.347 115 I CB -1.295 36.446 38.000 -0.432 0.000 1.044 115 I HN 0.480 nan 8.210 nan 0.000 0.408 116 K N 0.461 120.672 120.400 -0.315 0.000 2.025 116 K HA -0.192 4.129 4.320 0.001 0.000 0.207 116 K C 2.085 178.562 176.600 -0.206 0.000 1.049 116 K CA 1.156 57.283 56.287 -0.266 0.000 0.933 116 K CB 0.046 32.394 32.500 -0.253 0.000 0.714 116 K HN 0.213 nan 8.250 nan 0.000 0.438 117 Q N 0.764 120.406 119.800 -0.263 0.000 2.135 117 Q HA -0.138 4.202 4.340 0.001 0.000 0.204 117 Q C 2.241 178.048 176.000 -0.322 0.000 0.981 117 Q CA 1.237 56.839 55.803 -0.334 0.000 0.856 117 Q CB -0.210 28.214 28.738 -0.524 0.000 0.902 117 Q HN 0.409 nan 8.270 nan 0.000 0.425 118 L N -0.878 120.140 121.223 -0.343 0.000 2.056 118 L HA -0.182 4.159 4.340 0.001 0.000 0.207 118 L C 2.377 179.120 176.870 -0.213 0.000 1.078 118 L CA 1.142 55.797 54.840 -0.309 0.000 0.749 118 L CB -0.563 41.294 42.059 -0.337 0.000 0.901 118 L HN 0.152 nan 8.230 nan 0.000 0.433 119 Y N 0.673 120.794 120.300 -0.299 0.000 2.165 119 Y HA -0.271 4.280 4.550 0.001 0.000 0.286 119 Y C 2.353 178.146 175.900 -0.180 0.000 1.155 119 Y CA 1.522 59.476 58.100 -0.244 0.000 1.164 119 Y CB -0.163 38.129 38.460 -0.280 0.000 0.978 119 Y HN 0.004 nan 8.280 nan 0.000 0.513 120 L N -0.526 120.643 121.223 -0.090 0.000 2.042 120 L HA -0.289 4.052 4.340 0.001 0.000 0.210 120 L C 2.440 179.188 176.870 -0.204 0.000 1.076 120 L CA 1.378 56.138 54.840 -0.132 0.000 0.749 120 L CB -0.678 41.312 42.059 -0.114 0.000 0.893 120 L HN 0.323 nan 8.230 nan 0.000 0.432 121 L N -0.480 120.615 121.223 -0.213 0.000 2.046 121 L HA -0.242 4.099 4.340 0.001 0.000 0.208 121 L C 2.616 179.369 176.870 -0.195 0.000 1.077 121 L CA 1.396 56.122 54.840 -0.190 0.000 0.747 121 L CB -0.549 41.396 42.059 -0.190 0.000 0.896 121 L HN 0.242 nan 8.230 nan 0.000 0.432 122 K N 0.285 120.531 120.400 -0.257 0.000 2.103 122 K HA -0.194 4.126 4.320 0.001 0.000 0.207 122 K C 2.118 178.554 176.600 -0.273 0.000 1.048 122 K CA 1.361 57.490 56.287 -0.264 0.000 0.930 122 K CB -0.042 32.251 32.500 -0.346 0.000 0.716 122 K HN 0.308 nan 8.250 nan 0.000 0.444 123 K N 0.548 120.743 120.400 -0.342 0.000 2.155 123 K HA -0.132 4.189 4.320 0.001 0.000 0.203 123 K C 2.012 178.527 176.600 -0.142 0.000 1.052 123 K CA 1.145 57.286 56.287 -0.243 0.000 0.948 123 K CB 0.077 32.445 32.500 -0.221 0.000 0.728 123 K HN 0.136 nan 8.250 nan 0.000 0.448 124 Q N 0.197 119.917 119.800 -0.133 0.000 2.389 124 Q HA 0.055 4.396 4.340 0.001 0.000 0.204 124 Q C -0.360 175.596 176.000 -0.074 0.000 0.944 124 Q CA 0.543 56.291 55.803 -0.092 0.000 0.908 124 Q CB 0.457 29.140 28.738 -0.091 0.000 1.002 124 Q HN 0.193 nan 8.270 nan 0.000 0.493 125 N N 0.253 118.902 118.700 -0.084 0.000 2.640 125 N HA 0.155 4.896 4.740 0.001 0.000 0.262 125 N C -0.330 175.144 175.510 -0.060 0.000 1.174 125 N CA -0.252 52.765 53.050 -0.055 0.000 0.791 125 N CB 1.110 39.570 38.487 -0.046 0.000 1.279 125 N HN -0.043 nan 8.380 nan 0.000 0.535 126 R N 0.537 121.008 120.500 -0.048 0.000 2.241 126 R HA -0.068 4.273 4.340 0.001 0.000 0.224 126 R C 1.101 177.383 176.300 -0.030 0.000 1.101 126 R CA 0.769 56.843 56.100 -0.043 0.000 0.995 126 R CB -0.458 29.823 30.300 -0.031 0.000 0.870 126 R HN 0.468 nan 8.270 nan 0.000 0.463 127 N N 0.197 118.886 118.700 -0.019 0.000 2.336 127 N HA -0.021 4.720 4.740 0.001 0.000 0.189 127 N C -0.574 174.900 175.510 -0.060 0.000 1.113 127 N CA -0.039 53.002 53.050 -0.016 0.000 0.858 127 N CB 0.234 38.741 38.487 0.033 0.000 0.970 127 N HN -0.020 nan 8.380 nan 0.000 0.471 128 L N 1.139 122.324 121.223 -0.064 0.000 2.260 128 L HA 0.424 4.765 4.340 0.001 0.000 0.289 128 L C -0.781 176.032 176.870 -0.095 0.000 1.057 128 L CA -0.393 54.394 54.840 -0.089 0.000 0.811 128 L CB 0.535 42.557 42.059 -0.063 0.000 1.184 128 L HN -0.162 nan 8.230 nan 0.000 0.429 129 K N 3.288 123.595 120.400 -0.155 0.000 2.130 129 K HA 0.667 4.988 4.320 0.001 0.000 0.268 129 K C -1.183 175.441 176.600 0.039 0.000 0.983 129 K CA -0.393 55.861 56.287 -0.054 0.000 0.893 129 K CB 1.973 34.415 32.500 -0.097 0.000 1.066 129 K HN 0.370 nan 8.250 nan 0.000 0.450 130 V N 4.503 124.487 119.914 0.118 0.000 2.407 130 V HA 0.401 4.522 4.120 0.001 0.000 0.291 130 V C -0.937 175.296 176.094 0.231 0.000 1.018 130 V CA -0.936 61.460 62.300 0.161 0.000 0.842 130 V CB 0.987 32.902 31.823 0.154 0.000 0.996 130 V HN 0.466 nan 8.190 nan 0.000 0.426 131 L N 4.928 126.220 121.223 0.115 0.000 2.334 131 L HA 0.607 4.948 4.340 0.001 0.000 0.272 131 L C -0.390 176.303 176.870 -0.295 0.000 1.020 131 L CA -0.566 54.260 54.840 -0.023 0.000 0.812 131 L CB 1.550 43.619 42.059 0.016 0.000 1.264 131 L HN 0.544 nan 8.230 nan 0.000 0.439 132 L N 1.044 121.900 121.223 -0.612 0.000 2.276 132 L HA 0.498 4.839 4.340 0.001 0.000 0.286 132 L C -0.072 176.700 176.870 -0.164 0.000 1.061 132 L CA 0.571 54.992 54.840 -0.697 0.000 0.807 132 L CB 1.043 42.498 42.059 -1.006 0.000 1.177 132 L HN 0.571 nan 8.230 nan 0.000 0.429 133 S N 6.024 121.743 115.700 0.032 0.000 2.457 133 S HA 0.619 5.090 4.470 0.001 0.000 0.289 133 S C -0.236 174.617 174.600 0.422 0.000 1.163 133 S CA -0.357 58.015 58.200 0.287 0.000 1.078 133 S CB 0.490 63.973 63.200 0.472 0.000 0.987 133 S HN 0.517 nan 8.310 nan 0.000 0.482 134 I N 3.195 123.994 120.570 0.383 0.000 2.378 134 I HA 0.661 4.832 4.170 0.001 0.000 0.291 134 I C 0.843 177.196 176.117 0.393 0.000 0.992 134 I CA -0.082 61.411 61.300 0.321 0.000 1.154 134 I CB 1.232 39.398 38.000 0.277 0.000 1.315 134 I HN 0.877 nan 8.210 nan 0.000 0.448 135 G N 4.127 113.015 108.800 0.147 0.000 2.541 135 G HA2 0.365 4.325 3.960 0.001 0.000 0.208 135 G HA3 0.365 4.325 3.960 0.001 0.000 0.208 135 G C -0.044 174.451 174.900 -0.674 0.000 1.191 135 G CA 0.049 45.190 45.100 0.068 0.000 1.217 135 G HN 1.545 nan 8.290 nan 0.000 0.566 136 G N -2.843 105.553 108.800 -0.673 0.000 2.603 136 G HA2 0.150 4.111 3.960 0.001 0.000 0.686 136 G HA3 0.150 4.111 3.960 0.001 0.000 0.686 136 G C 0.528 175.244 174.900 -0.307 0.000 1.286 136 G CA 0.539 45.019 45.100 -1.034 0.000 0.871 136 G HN 1.530 nan 8.290 nan 0.000 0.568 137 W N -0.061 121.015 121.300 -0.374 0.000 2.338 137 W HA -0.020 4.641 4.660 0.001 0.000 0.304 137 W C 2.816 179.157 176.519 -0.297 0.000 1.212 137 W CA 2.197 59.367 57.345 -0.291 0.000 1.264 137 W CB -1.658 27.657 29.460 -0.242 0.000 1.142 137 W HN 0.655 nan 8.180 nan 0.000 0.512 138 T N -0.410 114.036 114.554 -0.181 0.000 2.777 138 T HA -0.197 4.154 4.350 0.001 0.000 0.266 138 T C 1.435 175.979 174.700 -0.259 0.000 1.040 138 T CA 1.585 63.495 62.100 -0.317 0.000 1.141 138 T CB -0.531 67.969 68.868 -0.613 0.000 0.868 138 T HN 0.010 nan 8.240 nan 0.000 0.444 139 Y N 1.090 121.287 120.300 -0.172 0.000 2.523 139 Y HA 0.314 4.865 4.550 0.001 0.000 0.279 139 Y C 2.662 178.390 175.900 -0.288 0.000 1.139 139 Y CA -0.887 57.065 58.100 -0.247 0.000 1.296 139 Y CB -0.824 37.436 38.460 -0.334 0.000 1.045 139 Y HN 0.090 nan 8.280 nan 0.000 0.538 140 S N 0.874 116.559 115.700 -0.025 0.000 2.402 140 S HA -0.146 4.325 4.470 0.001 0.000 0.233 140 S C -0.582 173.992 174.600 -0.043 0.000 1.030 140 S CA 1.471 59.712 58.200 0.068 0.000 1.003 140 S CB -1.032 62.244 63.200 0.126 0.000 0.813 140 S HN 0.364 nan 8.310 nan 0.000 0.477 141 P HA 0.020 nan 4.420 nan 0.000 0.228 141 P C 0.682 177.901 177.300 -0.135 0.000 1.151 141 P CA 0.771 63.840 63.100 -0.051 0.000 0.770 141 P CB -0.071 31.612 31.700 -0.029 0.000 0.786 142 N N -1.859 116.689 118.700 -0.254 0.000 2.422 142 N HA 0.037 4.777 4.740 0.001 0.000 0.181 142 N C 1.173 176.408 175.510 -0.458 0.000 1.080 142 N CA 0.524 53.383 53.050 -0.318 0.000 0.893 142 N CB -0.561 37.719 38.487 -0.344 0.000 0.973 142 N HN 0.161 nan 8.380 nan 0.000 0.456 143 F N 1.832 121.415 119.950 -0.612 0.000 2.084 143 F HA -0.025 4.503 4.527 0.001 0.000 0.296 143 F C 2.430 177.699 175.800 -0.886 0.000 1.111 143 F CA 0.901 58.254 58.000 -1.079 0.000 1.224 143 F CB -0.855 36.672 39.000 -2.455 0.000 0.991 143 F HN -0.007 nan 8.300 nan 0.000 0.471 144 A N 0.896 123.483 122.820 -0.389 0.000 1.869 144 A HA -0.208 4.113 4.320 0.001 0.000 0.218 144 A C 0.028 177.606 177.584 -0.010 0.000 1.203 144 A CA 2.295 54.340 52.037 0.012 0.000 0.638 144 A CB -2.269 16.830 19.000 0.165 0.000 0.831 144 A HN 0.281 nan 8.150 nan 0.000 0.450 145 P HA -0.121 nan 4.420 nan 0.000 0.215 145 P C 1.663 178.946 177.300 -0.027 0.000 1.157 145 P CA 2.004 65.089 63.100 -0.024 0.000 0.863 145 P CB -0.277 31.403 31.700 -0.033 0.000 0.787 146 A N 0.766 123.546 122.820 -0.068 0.000 1.908 146 A HA -0.083 4.238 4.320 0.001 0.000 0.218 146 A C 2.389 179.979 177.584 0.009 0.000 1.181 146 A CA 2.332 54.355 52.037 -0.024 0.000 0.627 146 A CB -1.530 17.453 19.000 -0.030 0.000 0.818 146 A HN 0.277 nan 8.150 nan 0.000 0.445 147 A N -0.076 122.732 122.820 -0.020 0.000 2.251 147 A HA 0.242 4.563 4.320 0.001 0.000 0.209 147 A C 2.091 179.718 177.584 0.071 0.000 1.187 147 A CA 1.165 53.217 52.037 0.025 0.000 0.823 147 A CB -0.655 18.373 19.000 0.046 0.000 0.846 147 A HN 0.879 nan 8.150 nan 0.000 0.486 148 S N -0.133 115.603 115.700 0.061 0.000 2.474 148 S HA -0.021 4.450 4.470 0.001 0.000 0.235 148 S C 1.018 175.653 174.600 0.058 0.000 0.997 148 S CA 1.054 59.295 58.200 0.069 0.000 0.949 148 S CB -0.794 62.440 63.200 0.057 0.000 0.766 148 S HN 0.790 nan 8.310 nan 0.000 0.517 149 T N -1.934 112.650 114.554 0.051 0.000 2.916 149 T HA 0.498 4.849 4.350 0.001 0.000 0.292 149 T C 0.208 174.939 174.700 0.052 0.000 1.055 149 T CA -0.315 61.814 62.100 0.048 0.000 1.009 149 T CB 1.788 70.679 68.868 0.039 0.000 1.118 149 T HN -0.015 nan 8.240 nan 0.000 0.497 150 D N 1.232 121.661 120.400 0.049 0.000 2.144 150 D HA -0.031 4.610 4.640 0.001 0.000 0.200 150 D C 2.229 178.562 176.300 0.055 0.000 0.978 150 D CA 1.688 55.720 54.000 0.052 0.000 0.833 150 D CB -0.348 40.480 40.800 0.046 0.000 0.961 150 D HN 0.722 nan 8.370 nan 0.000 0.470 151 A N 0.123 122.972 122.820 0.049 0.000 1.877 151 A HA 0.012 4.333 4.320 0.001 0.000 0.216 151 A C 2.387 180.008 177.584 0.062 0.000 1.186 151 A CA 1.998 54.064 52.037 0.049 0.000 0.620 151 A CB -1.434 17.588 19.000 0.038 0.000 0.822 151 A HN 0.375 nan 8.150 nan 0.000 0.443 152 G N -0.482 108.355 108.800 0.062 0.000 2.421 152 G HA2 -0.242 3.718 3.960 0.001 0.000 0.216 152 G HA3 -0.242 3.718 3.960 0.001 0.000 0.216 152 G C 1.768 176.740 174.900 0.120 0.000 1.171 152 G CA 0.938 46.085 45.100 0.079 0.000 0.775 152 G HN 0.578 nan 8.290 nan 0.000 0.543 153 R N 0.388 120.944 120.500 0.093 0.000 2.081 153 R HA -0.021 4.320 4.340 0.001 0.000 0.235 153 R C 2.657 179.041 176.300 0.140 0.000 1.131 153 R CA 1.428 57.582 56.100 0.089 0.000 0.960 153 R CB -0.274 30.057 30.300 0.052 0.000 0.856 153 R HN 0.298 nan 8.270 nan 0.000 0.436 154 K N 0.246 120.714 120.400 0.113 0.000 2.097 154 K HA -0.142 4.179 4.320 0.001 0.000 0.206 154 K C 1.870 178.549 176.600 0.132 0.000 1.049 154 K CA 1.452 57.807 56.287 0.113 0.000 0.933 154 K CB -0.182 32.367 32.500 0.082 0.000 0.717 154 K HN 0.052 nan 8.250 nan 0.000 0.442 155 N N 0.560 119.337 118.700 0.127 0.000 2.270 155 N HA -0.148 4.592 4.740 0.001 0.000 0.181 155 N C 1.478 177.078 175.510 0.150 0.000 1.016 155 N CA 0.755 53.870 53.050 0.109 0.000 0.870 155 N CB -0.115 38.417 38.487 0.076 0.000 0.979 155 N HN 0.078 nan 8.380 nan 0.000 0.431 156 F N 1.140 121.111 119.950 0.035 0.000 2.075 156 F HA -0.034 4.493 4.527 0.001 0.000 0.297 156 F C 2.161 177.991 175.800 0.049 0.000 1.113 156 F CA 1.654 59.679 58.000 0.041 0.000 1.218 156 F CB -0.902 38.133 39.000 0.057 0.000 0.984 156 F HN 0.095 nan 8.300 nan 0.000 0.472 157 A N 0.320 123.418 122.820 0.463 0.000 1.883 157 A HA -0.266 4.055 4.320 0.001 0.000 0.217 157 A C 2.368 180.041 177.584 0.148 0.000 1.186 157 A CA 2.066 54.288 52.037 0.309 0.000 0.624 157 A CB -0.990 18.142 19.000 0.220 0.000 0.822 157 A HN 0.495 nan 8.150 nan 0.000 0.444 158 K N -0.573 119.895 120.400 0.115 0.000 2.026 158 K HA -0.176 4.145 4.320 0.001 0.000 0.208 158 K C 2.218 178.830 176.600 0.020 0.000 1.048 158 K CA 2.174 58.499 56.287 0.064 0.000 0.929 158 K CB -0.404 32.132 32.500 0.059 0.000 0.713 158 K HN 0.653 nan 8.250 nan 0.000 0.439 159 T N -1.313 113.241 114.554 -0.000 0.000 2.821 159 T HA -0.019 4.332 4.350 0.001 0.000 0.267 159 T C 2.062 176.718 174.700 -0.073 0.000 1.046 159 T CA 1.013 63.088 62.100 -0.041 0.000 1.139 159 T CB -0.378 68.455 68.868 -0.058 0.000 0.871 159 T HN 0.262 nan 8.240 nan 0.000 0.454 160 A N 1.131 123.881 122.820 -0.117 0.000 1.898 160 A HA 0.091 4.412 4.320 0.001 0.000 0.216 160 A C 2.620 180.167 177.584 -0.061 0.000 1.181 160 A CA 1.468 53.432 52.037 -0.122 0.000 0.620 160 A CB -1.082 17.825 19.000 -0.155 0.000 0.819 160 A HN 0.400 nan 8.150 nan 0.000 0.442 161 V N 0.203 120.088 119.914 -0.049 0.000 2.515 161 V HA -0.211 3.910 4.120 0.001 0.000 0.250 161 V C 2.542 178.524 176.094 -0.187 0.000 1.058 161 V CA 2.334 64.560 62.300 -0.123 0.000 1.064 161 V CB -0.557 31.225 31.823 -0.068 0.000 0.675 161 V HN 0.644 nan 8.190 nan 0.000 0.461 162 K N 0.584 120.923 120.400 -0.101 0.000 2.097 162 K HA -0.112 4.209 4.320 0.001 0.000 0.206 162 K C 1.872 178.425 176.600 -0.078 0.000 1.049 162 K CA 1.628 57.861 56.287 -0.090 0.000 0.933 162 K CB -0.474 32.001 32.500 -0.042 0.000 0.717 162 K HN 0.418 nan 8.250 nan 0.000 0.442 163 L N 0.287 121.492 121.223 -0.030 0.000 2.056 163 L HA -0.124 4.217 4.340 0.001 0.000 0.207 163 L C 2.441 179.337 176.870 0.042 0.000 1.078 163 L CA 1.083 55.951 54.840 0.047 0.000 0.749 163 L CB -0.491 41.639 42.059 0.119 0.000 0.901 163 L HN 0.250 nan 8.230 nan 0.000 0.433 164 L N 0.200 121.431 121.223 0.015 0.000 2.046 164 L HA -0.269 4.072 4.340 0.001 0.000 0.208 164 L C 2.847 179.587 176.870 -0.216 0.000 1.077 164 L CA 1.648 56.472 54.840 -0.025 0.000 0.747 164 L CB -0.286 41.679 42.059 -0.157 0.000 0.896 164 L HN 0.406 nan 8.230 nan 0.000 0.432 165 Q N -1.493 118.123 119.800 -0.308 0.000 2.224 165 Q HA -0.195 4.145 4.340 0.001 0.000 0.203 165 Q C 1.250 177.237 176.000 -0.021 0.000 0.970 165 Q CA 1.621 57.323 55.803 -0.168 0.000 0.865 165 Q CB -0.256 28.294 28.738 -0.314 0.000 0.922 165 Q HN 0.472 nan 8.270 nan 0.000 0.445 166 D N 1.103 121.442 120.400 -0.102 0.000 2.162 166 D HA 0.043 4.683 4.640 0.001 0.000 0.205 166 D C 1.822 178.043 176.300 -0.132 0.000 0.964 166 D CA 0.832 54.797 54.000 -0.058 0.000 0.847 166 D CB 0.181 40.977 40.800 -0.007 0.000 0.988 166 D HN 0.280 nan 8.370 nan 0.000 0.480 167 L N -0.464 120.550 121.223 -0.349 0.000 2.592 167 L HA 0.280 4.621 4.340 0.001 0.000 0.227 167 L C 1.035 177.251 176.870 -1.090 0.000 1.127 167 L CA 0.210 54.641 54.840 -0.681 0.000 0.884 167 L CB 0.057 41.678 42.059 -0.729 0.000 1.065 167 L HN 0.045 nan 8.230 nan 0.000 0.457 168 G N 0.349 108.428 108.800 -1.201 0.000 2.212 168 G HA2 -0.268 3.693 3.960 0.001 0.000 0.255 168 G HA3 -0.268 3.693 3.960 0.001 0.000 0.255 168 G C -0.168 174.196 174.900 -0.893 0.000 1.062 168 G CA -0.440 43.674 45.100 -1.645 0.000 0.815 168 G HN 0.092 nan 8.290 nan 0.000 0.497 169 F N 0.059 119.808 119.950 -0.336 0.000 2.377 169 F HA 0.448 4.976 4.527 0.001 0.000 0.328 169 F C 1.301 177.171 175.800 0.116 0.000 1.094 169 F CA -1.230 56.723 58.000 -0.078 0.000 1.093 169 F CB 0.869 39.817 39.000 -0.087 0.000 1.214 169 F HN 0.026 nan 8.300 nan 0.000 0.518 170 D N 0.685 121.326 120.400 0.401 0.000 2.339 170 D HA 0.279 4.920 4.640 0.001 0.000 0.217 170 D C 0.821 177.377 176.300 0.427 0.000 1.050 170 D CA 0.543 54.823 54.000 0.467 0.000 0.856 170 D CB 0.676 41.678 40.800 0.336 0.000 0.922 170 D HN 0.687 nan 8.370 nan 0.000 0.518 171 G N -0.007 108.941 108.800 0.247 0.000 2.315 171 G HA2 0.366 4.327 3.960 0.001 0.000 0.294 171 G HA3 0.366 4.327 3.960 0.001 0.000 0.294 171 G C -1.980 172.944 174.900 0.041 0.000 1.300 171 G CA -0.877 44.312 45.100 0.147 0.000 0.843 171 G HN 0.032 nan 8.290 nan 0.000 0.527 172 L N 0.057 121.291 121.223 0.019 0.000 2.370 172 L HA 0.690 5.031 4.340 0.001 0.000 0.266 172 L C -1.276 175.599 176.870 0.008 0.000 1.002 172 L CA -0.860 53.982 54.840 0.004 0.000 0.818 172 L CB 2.471 44.566 42.059 0.060 0.000 1.325 172 L HN 0.667 nan 8.230 nan 0.000 0.418 173 D N 2.023 122.448 120.400 0.042 0.000 2.629 173 D HA 0.520 5.161 4.640 0.001 0.000 0.250 173 D C -1.199 175.220 176.300 0.198 0.000 1.126 173 D CA -0.339 53.700 54.000 0.065 0.000 0.852 173 D CB 1.398 42.232 40.800 0.057 0.000 1.335 173 D HN 0.106 nan 8.370 nan 0.000 0.518 174 I N 3.245 123.938 120.570 0.204 0.000 2.339 174 I HA 0.297 4.468 4.170 0.001 0.000 0.290 174 I C -0.577 175.689 176.117 0.248 0.000 0.994 174 I CA -0.981 60.493 61.300 0.290 0.000 1.191 174 I CB 1.227 39.416 38.000 0.316 0.000 1.343 174 I HN 0.346 nan 8.210 nan 0.000 0.458 175 D N 6.589 127.142 120.400 0.255 0.000 2.462 175 D HA 0.128 4.769 4.640 0.001 0.000 0.249 175 D C -0.819 175.519 176.300 0.065 0.000 1.117 175 D CA -0.067 54.058 54.000 0.207 0.000 0.900 175 D CB 0.739 41.716 40.800 0.296 0.000 1.039 175 D HN 0.362 nan 8.370 nan 0.000 0.516 176 W N 2.578 123.626 121.300 -0.419 0.000 2.278 176 W HA 0.381 5.041 4.660 0.001 0.000 0.317 176 W C -0.812 175.480 176.519 -0.378 0.000 1.030 176 W CA -1.150 55.780 57.345 -0.692 0.000 1.334 176 W CB 0.519 29.093 29.460 -1.477 0.000 1.215 176 W HN 0.109 nan 8.180 nan 0.000 0.405 177 E N 5.902 126.106 120.200 0.007 0.000 2.173 177 E HA 0.340 4.690 4.350 0.001 0.000 0.249 177 E C -1.435 174.976 176.600 -0.316 0.000 0.923 177 E CA -0.081 55.837 56.400 -0.803 0.000 0.754 177 E CB 0.792 29.907 29.700 -0.975 0.000 1.177 177 E HN 0.231 nan 8.360 nan 0.000 0.430 178 Y N 0.369 120.799 120.300 0.217 0.000 2.638 178 Y HA 0.400 4.951 4.550 0.001 0.000 0.335 178 Y C -2.395 173.352 175.900 -0.255 0.000 1.155 178 Y CA -2.993 55.085 58.100 -0.038 0.000 1.046 178 Y CB 1.132 39.551 38.460 -0.069 0.000 1.303 178 Y HN 0.230 nan 8.280 nan 0.000 0.460 179 P HA 0.100 nan 4.420 nan 0.000 0.263 179 P C -0.167 177.036 177.300 -0.162 0.000 1.195 179 P CA 0.462 63.157 63.100 -0.674 0.000 0.762 179 P CB 0.634 31.831 31.700 -0.839 0.000 0.799 180 E N 1.781 121.974 120.200 -0.013 0.000 2.400 180 E HA -0.001 4.350 4.350 0.001 0.000 0.195 180 E C 0.346 176.945 176.600 -0.000 0.000 1.012 180 E CA 0.367 56.782 56.400 0.026 0.000 0.875 180 E CB 0.048 29.798 29.700 0.084 0.000 0.859 180 E HN 0.570 nan 8.360 nan 0.000 0.498 181 N N -1.012 117.679 118.700 -0.016 0.000 2.853 181 N HA 0.021 4.761 4.740 0.001 0.000 0.258 181 N C -0.141 175.346 175.510 -0.038 0.000 1.444 181 N CA -0.613 52.431 53.050 -0.010 0.000 0.837 181 N CB 0.548 39.047 38.487 0.020 0.000 1.489 181 N HN -0.278 nan 8.380 nan 0.000 0.529 182 D N -0.914 119.484 120.400 -0.004 0.000 2.123 182 D HA -0.218 4.423 4.640 0.001 0.000 0.196 182 D C 1.479 177.767 176.300 -0.019 0.000 0.992 182 D CA 1.668 55.675 54.000 0.012 0.000 0.833 182 D CB 0.220 41.073 40.800 0.089 0.000 0.954 182 D HN 0.589 nan 8.370 nan 0.000 0.455 183 Q N 0.269 120.079 119.800 0.017 0.000 2.050 183 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 183 Q C 2.129 178.146 176.000 0.029 0.000 0.980 183 Q CA 1.692 57.516 55.803 0.036 0.000 0.840 183 Q CB -0.268 28.502 28.738 0.054 0.000 0.898 183 Q HN 0.432 nan 8.270 nan 0.000 0.424 184 Q N -0.812 119.004 119.800 0.026 0.000 2.124 184 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 184 Q C 2.028 177.952 176.000 -0.127 0.000 0.977 184 Q CA 1.290 57.126 55.803 0.055 0.000 0.850 184 Q CB -0.266 28.515 28.738 0.073 0.000 0.901 184 Q HN 0.515 nan 8.270 nan 0.000 0.429 185 A N 1.492 124.165 122.820 -0.245 0.000 1.908 185 A HA -0.229 4.091 4.320 0.001 0.000 0.218 185 A C 1.808 179.172 177.584 -0.368 0.000 1.181 185 A CA 1.585 53.374 52.037 -0.414 0.000 0.627 185 A CB -0.515 18.078 19.000 -0.678 0.000 0.818 185 A HN 0.310 nan 8.150 nan 0.000 0.445 186 N N 0.395 118.940 118.700 -0.259 0.000 2.084 186 N HA -0.133 4.608 4.740 0.001 0.000 0.190 186 N C 1.125 176.666 175.510 0.052 0.000 1.030 186 N CA 1.596 54.627 53.050 -0.032 0.000 0.849 186 N CB -0.465 38.067 38.487 0.074 0.000 1.012 186 N HN 0.431 nan 8.380 nan 0.000 0.423 187 D N 0.526 120.979 120.400 0.088 0.000 2.144 187 D HA -0.132 4.509 4.640 0.001 0.000 0.199 187 D C 1.715 178.163 176.300 0.247 0.000 0.984 187 D CA 0.394 54.490 54.000 0.160 0.000 0.834 187 D CB -0.416 40.506 40.800 0.203 0.000 0.955 187 D HN 0.130 nan 8.370 nan 0.000 0.465 188 F N 1.722 121.694 119.950 0.036 0.000 2.095 188 F HA -0.183 4.345 4.527 0.001 0.000 0.298 188 F C 2.220 177.994 175.800 -0.042 0.000 1.104 188 F CA 0.589 58.601 58.000 0.020 0.000 1.232 188 F CB -0.726 38.111 39.000 -0.270 0.000 0.987 188 F HN -0.199 nan 8.300 nan 0.000 0.475 189 V N 0.800 120.742 119.914 0.048 0.000 2.295 189 V HA -0.320 3.801 4.120 0.001 0.000 0.246 189 V C 2.698 178.801 176.094 0.015 0.000 1.049 189 V CA 1.877 64.147 62.300 -0.049 0.000 1.024 189 V CB -0.834 30.993 31.823 0.007 0.000 0.648 189 V HN 0.306 nan 8.190 nan 0.000 0.447 190 L N -0.815 120.446 121.223 0.064 0.000 2.042 190 L HA -0.215 4.126 4.340 0.001 0.000 0.210 190 L C 2.497 179.399 176.870 0.054 0.000 1.076 190 L CA 1.422 56.299 54.840 0.061 0.000 0.749 190 L CB -0.682 41.420 42.059 0.072 0.000 0.893 190 L HN 0.352 nan 8.230 nan 0.000 0.432 191 L N -0.017 121.251 121.223 0.076 0.000 2.012 191 L HA -0.230 4.110 4.340 0.001 0.000 0.210 191 L C 2.387 179.258 176.870 0.001 0.000 1.073 191 L CA 1.763 56.611 54.840 0.013 0.000 0.748 191 L CB -0.443 41.613 42.059 -0.004 0.000 0.891 191 L HN 0.089 nan 8.230 nan 0.000 0.431 192 L N -0.525 120.706 121.223 0.013 0.000 2.012 192 L HA -0.254 4.087 4.340 0.001 0.000 0.210 192 L C 2.653 179.521 176.870 -0.003 0.000 1.073 192 L CA 1.740 56.561 54.840 -0.032 0.000 0.748 192 L CB -0.722 41.238 42.059 -0.164 0.000 0.891 192 L HN 0.305 nan 8.230 nan 0.000 0.431 193 K N 0.645 121.047 120.400 0.004 0.000 2.063 193 K HA -0.252 4.069 4.320 0.001 0.000 0.208 193 K C 1.937 178.567 176.600 0.050 0.000 1.048 193 K CA 1.638 57.941 56.287 0.027 0.000 0.928 193 K CB -0.177 32.341 32.500 0.030 0.000 0.713 193 K HN 0.033 nan 8.250 nan 0.000 0.442 194 E N -0.202 120.031 120.200 0.055 0.000 2.077 194 E HA -0.101 4.250 4.350 0.001 0.000 0.193 194 E C 1.859 178.520 176.600 0.102 0.000 0.989 194 E CA 1.335 57.781 56.400 0.077 0.000 0.800 194 E CB -0.198 29.548 29.700 0.076 0.000 0.746 194 E HN 0.168 nan 8.360 nan 0.000 0.452 195 V N 0.321 120.299 119.914 0.107 0.000 2.358 195 V HA -0.197 3.923 4.120 0.001 0.000 0.246 195 V C 2.390 178.555 176.094 0.120 0.000 1.047 195 V CA 1.793 64.180 62.300 0.144 0.000 1.035 195 V CB -0.484 31.444 31.823 0.173 0.000 0.658 195 V HN 0.151 nan 8.190 nan 0.000 0.452 196 R N 0.852 121.406 120.500 0.091 0.000 2.083 196 R HA -0.158 4.182 4.340 0.001 0.000 0.237 196 R C 2.295 178.664 176.300 0.114 0.000 1.137 196 R CA 2.535 58.691 56.100 0.094 0.000 0.951 196 R CB -1.282 29.060 30.300 0.070 0.000 0.851 196 R HN 0.515 nan 8.270 nan 0.000 0.434 197 T N 0.285 114.900 114.554 0.102 0.000 2.708 197 T HA -0.118 4.233 4.350 0.001 0.000 0.266 197 T C 1.789 176.563 174.700 0.124 0.000 1.037 197 T CA 1.583 63.745 62.100 0.103 0.000 1.146 197 T CB -0.568 68.352 68.868 0.087 0.000 0.865 197 T HN 0.444 nan 8.240 nan 0.000 0.435 198 A N 1.152 124.049 122.820 0.129 0.000 1.902 198 A HA 0.007 4.328 4.320 0.001 0.000 0.217 198 A C 2.316 180.012 177.584 0.187 0.000 1.181 198 A CA 1.224 53.348 52.037 0.144 0.000 0.623 198 A CB -0.878 18.200 19.000 0.131 0.000 0.818 198 A HN 0.473 nan 8.150 nan 0.000 0.443 199 L N -0.454 120.882 121.223 0.189 0.000 2.046 199 L HA -0.198 4.142 4.340 0.001 0.000 0.208 199 L C 2.096 179.182 176.870 0.360 0.000 1.077 199 L CA 1.459 56.462 54.840 0.271 0.000 0.747 199 L CB -0.593 41.611 42.059 0.241 0.000 0.896 199 L HN 0.342 nan 8.230 nan 0.000 0.432 200 D N -0.578 119.968 120.400 0.244 0.000 2.097 200 D HA -0.122 4.518 4.640 0.001 0.000 0.197 200 D C 2.380 178.783 176.300 0.172 0.000 0.984 200 D CA 1.361 55.481 54.000 0.200 0.000 0.826 200 D CB -0.112 40.776 40.800 0.147 0.000 0.973 200 D HN 0.155 nan 8.370 nan 0.000 0.460 201 S N 0.356 116.153 115.700 0.161 0.000 2.359 201 S HA -0.231 4.240 4.470 0.001 0.000 0.223 201 S C 1.926 176.609 174.600 0.139 0.000 1.039 201 S CA 1.111 59.389 58.200 0.129 0.000 1.042 201 S CB -0.655 62.620 63.200 0.126 0.000 0.915 201 S HN 0.373 nan 8.310 nan 0.000 0.439 202 Y N 2.021 122.389 120.300 0.114 0.000 2.207 202 Y HA -0.156 4.395 4.550 0.001 0.000 0.287 202 Y C 2.717 178.721 175.900 0.172 0.000 1.156 202 Y CA 1.503 59.673 58.100 0.116 0.000 1.182 202 Y CB -0.701 37.813 38.460 0.091 0.000 0.979 202 Y HN 0.263 nan 8.280 nan 0.000 0.521 203 S N -0.029 115.756 115.700 0.142 0.000 2.368 203 S HA -0.147 4.323 4.470 0.001 0.000 0.224 203 S C 2.297 176.852 174.600 -0.075 0.000 1.029 203 S CA 1.180 59.433 58.200 0.087 0.000 0.988 203 S CB -0.867 62.450 63.200 0.195 0.000 0.838 203 S HN 0.643 nan 8.310 nan 0.000 0.462 204 A N 1.106 123.913 122.820 -0.023 0.000 1.940 204 A HA 0.164 4.485 4.320 0.001 0.000 0.219 204 A C 2.376 179.916 177.584 -0.073 0.000 1.176 204 A CA 1.924 53.940 52.037 -0.034 0.000 0.631 204 A CB -1.164 17.838 19.000 0.003 0.000 0.814 204 A HN 0.770 nan 8.150 nan 0.000 0.446 205 A N -1.181 121.573 122.820 -0.109 0.000 1.975 205 A HA 0.031 4.352 4.320 0.001 0.000 0.215 205 A C 1.532 178.999 177.584 -0.194 0.000 1.170 205 A CA 1.249 53.212 52.037 -0.123 0.000 0.656 205 A CB -0.075 18.875 19.000 -0.083 0.000 0.821 205 A HN 0.534 nan 8.150 nan 0.000 0.449 206 N N -1.965 116.515 118.700 -0.368 0.000 2.116 206 N HA 0.253 4.994 4.740 0.001 0.000 0.230 206 N C 0.371 175.699 175.510 -0.302 0.000 1.326 206 N CA 0.827 53.660 53.050 -0.362 0.000 0.867 206 N CB 1.250 39.447 38.487 -0.483 0.000 1.174 206 N HN 0.365 nan 8.380 nan 0.000 0.506 207 A N 0.022 122.696 122.820 -0.243 0.000 2.603 207 A HA 0.525 4.846 4.320 0.001 0.000 0.277 207 A C 1.158 178.669 177.584 -0.121 0.000 1.158 207 A CA 0.252 52.216 52.037 -0.121 0.000 0.962 207 A CB -0.017 19.008 19.000 0.041 0.000 1.189 207 A HN 0.104 nan 8.150 nan 0.000 0.552 208 G N -0.467 108.268 108.800 -0.108 0.000 2.356 208 G HA2 0.120 4.081 3.960 0.001 0.000 0.296 208 G HA3 0.120 4.081 3.960 0.001 0.000 0.296 208 G C 1.571 176.422 174.900 -0.080 0.000 1.022 208 G CA 1.115 46.166 45.100 -0.081 0.000 0.961 208 G HN 2.151 nan 8.290 nan 0.000 0.510 209 G N -1.394 107.357 108.800 -0.082 0.000 2.205 209 G HA2 -0.174 3.787 3.960 0.001 0.000 0.261 209 G HA3 -0.174 3.787 3.960 0.001 0.000 0.261 209 G C 0.601 175.431 174.900 -0.116 0.000 0.980 209 G CA 1.148 46.208 45.100 -0.068 0.000 0.632 209 G HN 2.035 nan 8.290 nan 0.000 0.533 210 Q N 0.734 120.411 119.800 -0.205 0.000 2.549 210 Q HA 0.147 4.487 4.340 0.001 0.000 0.347 210 Q C 0.260 175.979 176.000 -0.468 0.000 1.081 210 Q CA 0.670 56.263 55.803 -0.350 0.000 1.093 210 Q CB -0.027 28.398 28.738 -0.522 0.000 1.067 210 Q HN 0.688 nan 8.270 nan 0.000 0.398 211 H N 4.943 123.799 119.070 -0.357 0.000 2.934 211 H HA 0.270 4.827 4.556 0.001 0.000 0.273 211 H C -1.098 174.081 175.328 -0.249 0.000 1.121 211 H CA -0.391 55.515 56.048 -0.237 0.000 1.451 211 H CB -0.205 29.511 29.762 -0.077 0.000 1.469 211 H HN 0.459 nan 8.280 nan 0.000 0.476 212 F N 4.637 124.413 119.950 -0.290 0.000 2.389 212 F HA 0.208 4.736 4.527 0.001 0.000 0.337 212 F C 0.189 175.735 175.800 -0.422 0.000 1.112 212 F CA -0.615 57.261 58.000 -0.206 0.000 1.192 212 F CB 0.579 39.576 39.000 -0.005 0.000 1.185 212 F HN 0.397 nan 8.300 nan 0.000 0.552 213 L N 3.527 124.774 121.223 0.041 0.000 2.375 213 L HA 0.458 4.798 4.340 0.001 0.000 0.271 213 L C -0.779 176.080 176.870 -0.018 0.000 1.107 213 L CA -0.793 54.040 54.840 -0.012 0.000 0.806 213 L CB 1.182 43.307 42.059 0.110 0.000 1.146 213 L HN 0.401 nan 8.230 nan 0.000 0.447 214 L N 2.725 123.900 121.223 -0.080 0.000 2.441 214 L HA 0.612 4.953 4.340 0.001 0.000 0.270 214 L C -0.259 176.462 176.870 -0.248 0.000 0.973 214 L CA 0.147 54.928 54.840 -0.099 0.000 0.842 214 L CB 1.764 43.795 42.059 -0.046 0.000 1.239 214 L HN 0.756 nan 8.230 nan 0.000 0.406 215 T N 1.952 116.323 114.554 -0.305 0.000 2.887 215 T HA 0.918 5.268 4.350 0.001 0.000 0.292 215 T C -0.538 174.004 174.700 -0.264 0.000 1.087 215 T CA -0.229 61.592 62.100 -0.465 0.000 1.009 215 T CB 1.727 70.128 68.868 -0.778 0.000 1.203 215 T HN 0.971 nan 8.240 nan 0.000 0.518 216 V N -2.091 117.668 119.914 -0.259 0.000 3.078 216 V HA 0.976 5.096 4.120 0.001 0.000 0.311 216 V C -0.164 175.988 176.094 0.097 0.000 1.138 216 V CA -1.370 60.898 62.300 -0.053 0.000 1.007 216 V CB 1.179 32.929 31.823 -0.122 0.000 1.045 216 V HN 1.497 nan 8.190 nan 0.000 0.432 217 A N 2.272 125.230 122.820 0.231 0.000 2.331 217 A HA 0.863 5.184 4.320 0.001 0.000 0.283 217 A C 0.381 178.152 177.584 0.311 0.000 1.142 217 A CA 0.159 52.379 52.037 0.306 0.000 0.812 217 A CB 0.403 19.619 19.000 0.361 0.000 1.074 217 A HN 1.862 nan 8.150 nan 0.000 0.497 218 S N 2.681 118.575 115.700 0.323 0.000 2.542 218 S HA 0.796 5.267 4.470 0.001 0.000 0.293 218 S C -2.978 171.837 174.600 0.359 0.000 1.089 218 S CA -1.582 56.862 58.200 0.407 0.000 0.961 218 S CB 1.886 65.397 63.200 0.518 0.000 1.062 218 S HN 0.596 nan 8.310 nan 0.000 0.483 219 P HA 0.292 nan 4.420 nan 0.000 0.274 219 P C 0.035 177.465 177.300 0.215 0.000 1.231 219 P CA -0.395 62.857 63.100 0.253 0.000 0.790 219 P CB 1.119 32.830 31.700 0.018 0.000 0.951 220 A N 2.419 125.298 122.820 0.098 0.000 2.252 220 A HA 0.327 4.647 4.320 0.001 0.000 0.213 220 A C 1.308 178.875 177.584 -0.029 0.000 1.188 220 A CA 0.375 52.480 52.037 0.113 0.000 0.863 220 A CB -0.578 18.560 19.000 0.230 0.000 0.893 220 A HN 0.625 nan 8.150 nan 0.000 0.495 221 G N 0.815 109.523 108.800 -0.153 0.000 2.354 221 G HA2 0.413 4.374 3.960 0.001 0.000 0.266 221 G HA3 0.413 4.374 3.960 0.001 0.000 0.266 221 G C -1.518 173.347 174.900 -0.058 0.000 1.242 221 G CA -0.783 44.236 45.100 -0.136 0.000 0.923 221 G HN 0.056 nan 8.290 nan 0.000 0.476 222 P HA -0.132 nan 4.420 nan 0.000 0.216 222 P C 1.318 178.576 177.300 -0.071 0.000 1.153 222 P CA 1.012 64.087 63.100 -0.041 0.000 0.858 222 P CB 0.347 32.038 31.700 -0.015 0.000 0.789 223 D N -0.775 119.599 120.400 -0.045 0.000 2.149 223 D HA -0.153 4.488 4.640 0.001 0.000 0.198 223 D C 1.780 178.011 176.300 -0.115 0.000 0.990 223 D CA 1.304 55.264 54.000 -0.066 0.000 0.839 223 D CB -0.270 40.505 40.800 -0.043 0.000 0.948 223 D HN 0.107 nan 8.370 nan 0.000 0.460 224 K N 0.351 120.641 120.400 -0.183 0.000 2.076 224 K HA 0.097 4.418 4.320 0.001 0.000 0.204 224 K C 2.192 178.697 176.600 -0.159 0.000 1.051 224 K CA 0.219 56.358 56.287 -0.247 0.000 0.949 224 K CB -0.374 31.812 32.500 -0.522 0.000 0.726 224 K HN 0.155 nan 8.250 nan 0.000 0.443 225 I N 1.192 121.664 120.570 -0.163 0.000 2.208 225 I HA -0.328 3.843 4.170 0.001 0.000 0.245 225 I C 1.743 177.762 176.117 -0.164 0.000 1.097 225 I CA 1.179 62.356 61.300 -0.204 0.000 1.363 225 I CB -0.243 37.542 38.000 -0.359 0.000 1.051 225 I HN 0.073 nan 8.210 nan 0.000 0.413 226 K N 0.523 120.844 120.400 -0.131 0.000 2.160 226 K HA -0.133 4.188 4.320 0.001 0.000 0.206 226 K C 2.057 178.631 176.600 -0.043 0.000 1.047 226 K CA 1.155 57.390 56.287 -0.087 0.000 0.930 226 K CB -0.803 31.655 32.500 -0.069 0.000 0.720 226 K HN 0.276 nan 8.250 nan 0.000 0.450 227 V N 1.667 121.550 119.914 -0.051 0.000 2.548 227 V HA -0.104 4.017 4.120 0.001 0.000 0.249 227 V C 1.524 177.605 176.094 -0.021 0.000 1.055 227 V CA 0.670 62.949 62.300 -0.036 0.000 1.065 227 V CB -0.415 31.364 31.823 -0.073 0.000 0.681 227 V HN 0.149 nan 8.190 nan 0.000 0.462 228 L N 0.125 121.341 121.223 -0.012 0.000 2.467 228 L HA 0.166 4.507 4.340 0.001 0.000 0.270 228 L C 0.306 177.285 176.870 0.181 0.000 1.205 228 L CA 0.163 55.021 54.840 0.030 0.000 0.828 228 L CB -0.096 42.022 42.059 0.098 0.000 1.101 228 L HN 0.298 nan 8.230 nan 0.000 0.479 229 H N 3.373 122.453 119.070 0.016 0.000 2.702 229 H HA 0.183 4.740 4.556 0.001 0.000 0.252 229 H C 0.794 176.168 175.328 0.077 0.000 1.493 229 H CA -0.587 55.473 56.048 0.020 0.000 1.273 229 H CB 0.704 30.468 29.762 0.004 0.000 1.537 229 H HN 0.577 nan 8.280 nan 0.000 0.547 230 L N 1.239 122.586 121.223 0.207 0.000 1.990 230 L HA -0.259 4.082 4.340 0.001 0.000 0.213 230 L C 2.284 179.315 176.870 0.267 0.000 1.072 230 L CA 1.576 56.571 54.840 0.257 0.000 0.755 230 L CB -0.314 41.766 42.059 0.036 0.000 0.889 230 L HN 0.500 nan 8.230 nan 0.000 0.432 231 K N -0.070 120.413 120.400 0.138 0.000 2.002 231 K HA -0.177 4.144 4.320 0.001 0.000 0.209 231 K C 1.811 178.484 176.600 0.121 0.000 1.048 231 K CA 1.714 58.069 56.287 0.114 0.000 0.930 231 K CB -0.321 32.208 32.500 0.049 0.000 0.714 231 K HN 0.294 nan 8.250 nan 0.000 0.438 232 D N 0.737 121.197 120.400 0.100 0.000 2.149 232 D HA -0.157 4.484 4.640 0.001 0.000 0.198 232 D C 1.925 178.253 176.300 0.048 0.000 0.990 232 D CA 1.312 55.357 54.000 0.074 0.000 0.839 232 D CB -0.113 40.739 40.800 0.087 0.000 0.948 232 D HN 0.212 nan 8.370 nan 0.000 0.460 233 M N 0.191 119.830 119.600 0.064 0.000 2.077 233 M HA -0.160 4.321 4.480 0.001 0.000 0.261 233 M C 1.907 178.185 176.300 -0.036 0.000 1.070 233 M CA 1.283 56.528 55.300 -0.092 0.000 1.125 233 M CB -0.206 32.300 32.600 -0.155 0.000 1.339 233 M HN -0.144 nan 8.290 nan 0.000 0.409 234 D N -0.042 120.534 120.400 0.292 0.000 2.228 234 D HA -0.225 4.415 4.640 0.001 0.000 0.203 234 D C 1.924 178.319 176.300 0.158 0.000 0.988 234 D CA 1.191 55.415 54.000 0.374 0.000 0.864 234 D CB 0.013 41.107 40.800 0.489 0.000 0.928 234 D HN 0.151 nan 8.370 nan 0.000 0.469 235 Q N -0.394 119.465 119.800 0.099 0.000 2.291 235 Q HA -0.077 4.263 4.340 0.001 0.000 0.206 235 Q C 1.296 177.317 176.000 0.035 0.000 0.976 235 Q CA 1.242 57.083 55.803 0.064 0.000 0.875 235 Q CB -0.003 28.766 28.738 0.051 0.000 0.927 235 Q HN 0.318 nan 8.270 nan 0.000 0.450 236 Q N -0.930 118.862 119.800 -0.013 0.000 2.282 236 Q HA 0.260 4.601 4.340 0.001 0.000 0.206 236 Q C -0.229 175.733 176.000 -0.064 0.000 0.878 236 Q CA 0.115 55.898 55.803 -0.034 0.000 0.944 236 Q CB 0.822 29.514 28.738 -0.077 0.000 1.100 236 Q HN 0.302 nan 8.270 nan 0.000 0.509 237 L N 0.547 121.714 121.223 -0.093 0.000 2.331 237 L HA 0.324 4.665 4.340 0.001 0.000 0.275 237 L C 0.967 177.836 176.870 -0.002 0.000 1.022 237 L CA -0.525 54.222 54.840 -0.156 0.000 0.812 237 L CB 1.382 43.167 42.059 -0.457 0.000 1.257 237 L HN -0.154 nan 8.230 nan 0.000 0.435 238 D N 1.478 121.870 120.400 -0.013 0.000 2.213 238 D HA 0.073 4.714 4.640 0.001 0.000 0.205 238 D C -0.295 176.216 176.300 0.350 0.000 0.961 238 D CA 1.398 55.504 54.000 0.176 0.000 0.853 238 D CB 0.547 41.461 40.800 0.189 0.000 0.967 238 D HN 0.347 nan 8.370 nan 0.000 0.496 239 F N -2.469 117.500 119.950 0.031 0.000 2.829 239 F HA 0.426 4.954 4.527 0.001 0.000 0.319 239 F C -2.319 173.528 175.800 0.078 0.000 1.153 239 F CA -1.713 56.367 58.000 0.133 0.000 0.912 239 F CB 0.305 39.346 39.000 0.069 0.000 1.292 239 F HN -0.346 nan 8.300 nan 0.000 0.447 240 W N 1.628 123.046 121.300 0.196 0.000 2.587 240 W HA 0.573 5.234 4.660 0.001 0.000 0.324 240 W C -0.846 175.740 176.519 0.112 0.000 1.040 240 W CA -0.797 56.583 57.345 0.057 0.000 1.222 240 W CB 1.478 30.895 29.460 -0.071 0.000 1.381 240 W HN 0.331 nan 8.180 nan 0.000 0.483 241 N N 3.568 122.459 118.700 0.317 0.000 2.485 241 N HA 0.200 4.941 4.740 0.001 0.000 0.243 241 N C -1.055 174.568 175.510 0.189 0.000 0.987 241 N CA -0.574 52.630 53.050 0.257 0.000 0.940 241 N CB 1.377 40.037 38.487 0.289 0.000 1.122 241 N HN 0.365 nan 8.380 nan 0.000 0.509 242 L N 2.685 123.952 121.223 0.073 0.000 2.361 242 L HA 0.250 4.591 4.340 0.001 0.000 0.278 242 L C 0.415 177.246 176.870 -0.065 0.000 1.113 242 L CA 0.288 55.125 54.840 -0.005 0.000 0.849 242 L CB 0.294 42.296 42.059 -0.094 0.000 1.155 242 L HN 0.445 nan 8.230 nan 0.000 0.452 243 M N 6.343 125.870 119.600 -0.120 0.000 3.422 243 M HA 0.229 4.710 4.480 0.001 0.000 0.248 243 M C 0.692 176.570 176.300 -0.703 0.000 1.433 243 M CA -0.106 54.843 55.300 -0.585 0.000 1.592 243 M CB 0.160 32.585 32.600 -0.292 0.000 1.078 243 M HN 0.795 nan 8.290 nan 0.000 0.578 244 A N 3.239 125.714 122.820 -0.575 0.000 3.074 244 A HA 0.359 4.679 4.320 0.001 0.000 0.251 244 A C -0.697 176.569 177.584 -0.530 0.000 1.695 244 A CA -0.097 51.767 52.037 -0.287 0.000 1.343 244 A CB -1.000 17.968 19.000 -0.054 0.000 1.078 244 A HN 0.738 nan 8.150 nan 0.000 0.644 245 Y N -4.619 115.430 120.300 -0.419 0.000 2.853 245 Y HA 0.527 5.077 4.550 0.001 0.000 0.326 245 Y C -0.237 175.535 175.900 -0.214 0.000 1.384 245 Y CA -1.847 55.980 58.100 -0.455 0.000 1.077 245 Y CB 0.210 38.591 38.460 -0.131 0.000 1.395 245 Y HN 0.176 nan 8.280 nan 0.000 0.451 246 D N -0.665 119.928 120.400 0.322 0.000 2.870 246 D HA -0.207 4.434 4.640 0.001 0.000 0.228 246 D C 0.246 176.839 176.300 0.490 0.000 1.147 246 D CA 1.036 55.327 54.000 0.486 0.000 0.757 246 D CB -1.306 39.812 40.800 0.530 0.000 1.091 246 D HN 0.644 nan 8.370 nan 0.000 0.429 247 Y N -0.667 119.831 120.300 0.331 0.000 2.509 247 Y HA 0.313 4.863 4.550 0.001 0.000 0.293 247 Y C 1.650 177.876 175.900 0.545 0.000 1.133 247 Y CA 0.632 58.910 58.100 0.296 0.000 1.283 247 Y CB 0.229 38.886 38.460 0.328 0.000 1.001 247 Y HN 0.261 nan 8.280 nan 0.000 0.555 248 A N -1.392 121.815 122.820 0.645 0.000 2.549 248 A HA 0.809 5.130 4.320 0.001 0.000 0.297 248 A C 0.124 177.776 177.584 0.114 0.000 1.061 248 A CA 0.051 52.337 52.037 0.415 0.000 0.690 248 A CB 1.188 20.369 19.000 0.302 0.000 1.287 248 A HN 0.264 nan 8.150 nan 0.000 0.402 249 G N -0.641 107.854 108.800 -0.508 0.000 2.364 249 G HA2 0.523 4.484 3.960 0.001 0.000 0.286 249 G HA3 0.523 4.484 3.960 0.001 0.000 0.286 249 G C 0.863 175.338 174.900 -0.709 0.000 1.241 249 G CA 0.794 45.414 45.100 -0.800 0.000 0.887 249 G HN 1.771 nan 8.290 nan 0.000 0.484 250 S N -0.367 115.021 115.700 -0.521 0.000 2.442 250 S HA -0.065 4.406 4.470 0.001 0.000 0.236 250 S C 1.964 176.570 174.600 0.010 0.000 1.007 250 S CA 2.154 60.312 58.200 -0.069 0.000 0.965 250 S CB -0.617 62.598 63.200 0.026 0.000 0.773 250 S HN 1.066 nan 8.310 nan 0.000 0.504 251 F N 1.668 121.731 119.950 0.189 0.000 2.811 251 F HA 0.484 5.012 4.527 0.001 0.000 0.301 251 F C 0.486 176.409 175.800 0.204 0.000 1.151 251 F CA -1.000 57.093 58.000 0.155 0.000 1.412 251 F CB -0.988 38.066 39.000 0.090 0.000 1.113 251 F HN -0.041 nan 8.300 nan 0.000 0.579 252 S N 0.171 115.910 115.700 0.064 0.000 2.585 252 S HA 0.225 4.696 4.470 0.001 0.000 0.277 252 S C 1.109 175.873 174.600 0.274 0.000 1.241 252 S CA -0.414 57.913 58.200 0.211 0.000 1.041 252 S CB 1.725 64.994 63.200 0.115 0.000 0.987 252 S HN 0.223 nan 8.310 nan 0.000 0.512 253 S N 1.284 117.099 115.700 0.192 0.000 2.402 253 S HA 0.073 4.544 4.470 0.001 0.000 0.229 253 S C 0.498 175.211 174.600 0.188 0.000 1.021 253 S CA 0.906 59.190 58.200 0.139 0.000 0.974 253 S CB -0.310 62.932 63.200 0.070 0.000 0.800 253 S HN 0.496 nan 8.310 nan 0.000 0.484 254 L N 0.293 121.621 121.223 0.174 0.000 2.359 254 L HA 0.439 4.780 4.340 0.001 0.000 0.256 254 L C 0.188 176.938 176.870 -0.201 0.000 1.026 254 L CA -0.983 53.926 54.840 0.114 0.000 0.828 254 L CB 1.734 43.775 42.059 -0.030 0.000 1.406 254 L HN 0.030 nan 8.230 nan 0.000 0.413 255 S N -0.366 115.035 115.700 -0.499 0.000 2.576 255 S HA 0.703 5.174 4.470 0.001 0.000 0.272 255 S C 0.000 173.975 174.600 -1.042 0.000 1.352 255 S CA 0.209 57.513 58.200 -1.493 0.000 1.021 255 S CB 1.208 63.728 63.200 -1.133 0.000 0.887 255 S HN 0.991 nan 8.310 nan 0.000 0.542 256 G N 0.189 108.269 108.800 -1.199 0.000 2.451 256 G HA2 0.413 4.373 3.960 0.001 0.000 0.292 256 G HA3 0.413 4.373 3.960 0.001 0.000 0.292 256 G C -1.744 172.911 174.900 -0.409 0.000 1.427 256 G CA -0.980 43.747 45.100 -0.622 0.000 0.792 256 G HN 0.792 nan 8.290 nan 0.000 0.498 257 H N 0.524 119.596 119.070 0.004 0.000 2.646 257 H HA 0.194 4.750 4.556 0.001 0.000 0.325 257 H C 0.971 176.444 175.328 0.242 0.000 1.075 257 H CA 0.477 56.592 56.048 0.113 0.000 1.421 257 H CB 1.929 31.751 29.762 0.101 0.000 1.461 257 H HN 0.723 nan 8.280 nan 0.000 0.525 258 Q N 1.649 121.642 119.800 0.321 0.000 2.392 258 Q HA 0.313 4.654 4.340 0.001 0.000 0.203 258 Q C 0.547 176.527 176.000 -0.034 0.000 0.917 258 Q CA 0.565 56.532 55.803 0.274 0.000 0.939 258 Q CB 0.860 29.749 28.738 0.251 0.000 1.063 258 Q HN 0.511 nan 8.270 nan 0.000 0.516 259 A N 1.468 124.299 122.820 0.018 0.000 2.504 259 A HA 0.136 4.457 4.320 0.001 0.000 0.263 259 A C -0.536 177.081 177.584 0.054 0.000 0.885 259 A CA -0.719 51.189 52.037 -0.216 0.000 1.086 259 A CB -0.223 18.705 19.000 -0.120 0.000 1.203 259 A HN 0.451 nan 8.150 nan 0.000 0.496 260 N N 0.404 119.254 118.700 0.249 0.000 2.441 260 N HA 0.115 4.856 4.740 0.001 0.000 0.251 260 N C 0.841 176.400 175.510 0.082 0.000 1.242 260 N CA 0.233 53.362 53.050 0.131 0.000 0.898 260 N CB 1.405 39.970 38.487 0.130 0.000 1.100 260 N HN -0.061 nan 8.380 nan 0.000 0.443 261 V N 0.986 120.802 119.914 -0.165 0.000 2.446 261 V HA -0.056 4.065 4.120 0.001 0.000 0.244 261 V C 0.023 175.801 176.094 -0.526 0.000 1.039 261 V CA 1.265 63.270 62.300 -0.493 0.000 1.045 261 V CB -0.715 30.498 31.823 -1.017 0.000 0.681 261 V HN 0.595 nan 8.190 nan 0.000 0.459 262 Y N -0.558 119.702 120.300 -0.067 0.000 2.587 262 Y HA 0.376 4.927 4.550 0.001 0.000 0.337 262 Y C 0.465 176.356 175.900 -0.014 0.000 1.065 262 Y CA -1.626 56.454 58.100 -0.033 0.000 1.126 262 Y CB 0.489 38.924 38.460 -0.042 0.000 1.279 262 Y HN -0.027 nan 8.280 nan 0.000 0.489 263 N N 1.369 120.174 118.700 0.175 0.000 2.518 263 N HA -0.077 4.664 4.740 0.001 0.000 0.266 263 N C -1.141 174.410 175.510 0.069 0.000 1.196 263 N CA -0.054 53.047 53.050 0.085 0.000 0.947 263 N CB 0.631 39.147 38.487 0.047 0.000 1.098 263 N HN 0.693 nan 8.380 nan 0.000 0.450 264 D N 2.178 122.608 120.400 0.050 0.000 2.494 264 D HA 0.031 4.671 4.640 0.001 0.000 0.217 264 D C 1.509 177.817 176.300 0.014 0.000 1.153 264 D CA -0.283 53.736 54.000 0.033 0.000 0.954 264 D CB 0.485 41.314 40.800 0.049 0.000 1.034 264 D HN 0.674 nan 8.370 nan 0.000 0.518 265 T N -0.067 114.489 114.554 0.003 0.000 2.737 265 T HA -0.253 4.098 4.350 0.001 0.000 0.269 265 T C 1.778 176.471 174.700 -0.011 0.000 1.040 265 T CA 1.777 63.873 62.100 -0.008 0.000 1.142 265 T CB -0.277 68.582 68.868 -0.015 0.000 0.861 265 T HN 0.259 nan 8.240 nan 0.000 0.456 266 S N 0.849 116.544 115.700 -0.009 0.000 2.489 266 S HA 0.079 4.549 4.470 0.001 0.000 0.228 266 S C 1.059 175.651 174.600 -0.014 0.000 0.995 266 S CA 0.493 58.686 58.200 -0.012 0.000 0.934 266 S CB -0.367 62.827 63.200 -0.011 0.000 0.771 266 S HN 0.592 nan 8.310 nan 0.000 0.522 267 N N 1.012 119.707 118.700 -0.009 0.000 2.666 267 N HA 0.277 5.018 4.740 0.001 0.000 0.253 267 N C -2.358 173.145 175.510 -0.011 0.000 1.621 267 N CA -1.653 51.386 53.050 -0.017 0.000 0.785 267 N CB 1.123 39.600 38.487 -0.017 0.000 1.332 267 N HN 0.009 nan 8.380 nan 0.000 0.514 268 P HA -0.147 nan 4.420 nan 0.000 0.218 268 P C 1.376 178.654 177.300 -0.036 0.000 1.146 268 P CA 0.778 63.865 63.100 -0.022 0.000 0.813 268 P CB 0.558 32.239 31.700 -0.032 0.000 0.778 269 L N 0.283 121.477 121.223 -0.049 0.000 2.275 269 L HA -0.090 4.251 4.340 0.001 0.000 0.215 269 L C 2.635 179.454 176.870 -0.085 0.000 1.119 269 L CA 1.725 56.524 54.840 -0.067 0.000 0.790 269 L CB -0.897 41.120 42.059 -0.071 0.000 0.919 269 L HN 0.142 nan 8.230 nan 0.000 0.443 270 S N -1.883 113.771 115.700 -0.076 0.000 2.527 270 S HA -0.039 4.431 4.470 0.001 0.000 0.222 270 S C 1.090 175.699 174.600 0.017 0.000 0.985 270 S CA 0.406 58.532 58.200 -0.125 0.000 0.921 270 S CB -0.384 62.737 63.200 -0.132 0.000 0.772 270 S HN 0.432 nan 8.310 nan 0.000 0.529 271 T N -0.470 114.122 114.554 0.064 0.000 3.401 271 T HA 0.460 4.811 4.350 0.001 0.000 0.341 271 T C -2.022 172.686 174.700 0.014 0.000 1.674 271 T CA -1.515 60.657 62.100 0.120 0.000 1.600 271 T CB 1.344 70.292 68.868 0.132 0.000 0.974 271 T HN 0.017 nan 8.240 nan 0.000 0.672 272 P HA 0.077 nan 4.420 nan 0.000 0.225 272 P C -0.319 176.644 177.300 -0.562 0.000 1.148 272 P CA 0.514 63.470 63.100 -0.240 0.000 0.779 272 P CB -0.025 31.597 31.700 -0.130 0.000 0.780 273 F N -0.231 119.641 119.950 -0.130 0.000 2.664 273 F HA 0.412 4.940 4.527 0.001 0.000 0.317 273 F C -0.015 175.547 175.800 -0.398 0.000 1.108 273 F CA -0.865 56.910 58.000 -0.375 0.000 0.957 273 F CB 1.525 40.055 39.000 -0.783 0.000 1.365 273 F HN -0.196 nan 8.300 nan 0.000 0.475 274 N N -2.574 115.996 118.700 -0.217 0.000 2.446 274 N HA 0.308 5.048 4.740 0.001 0.000 0.272 274 N C -0.733 174.735 175.510 -0.070 0.000 1.127 274 N CA -0.683 52.310 53.050 -0.094 0.000 0.896 274 N CB 1.620 40.108 38.487 0.002 0.000 1.658 274 N HN 0.370 nan 8.380 nan 0.000 0.483 275 T N -0.089 114.499 114.554 0.056 0.000 2.788 275 T HA -0.203 4.148 4.350 0.001 0.000 0.268 275 T C 1.436 176.172 174.700 0.059 0.000 1.044 275 T CA 1.750 63.909 62.100 0.098 0.000 1.139 275 T CB -0.297 68.621 68.868 0.084 0.000 0.867 275 T HN 0.642 nan 8.240 nan 0.000 0.454 276 Q N 1.172 120.962 119.800 -0.016 0.000 2.077 276 Q HA -0.134 4.206 4.340 0.001 0.000 0.206 276 Q C 2.309 178.367 176.000 0.095 0.000 0.989 276 Q CA 2.111 57.962 55.803 0.080 0.000 0.853 276 Q CB -1.030 27.775 28.738 0.112 0.000 0.907 276 Q HN 0.438 nan 8.270 nan 0.000 0.418 277 T N 0.277 114.868 114.554 0.062 0.000 2.684 277 T HA -0.199 4.152 4.350 0.001 0.000 0.267 277 T C 1.673 176.399 174.700 0.044 0.000 1.036 277 T CA 1.641 63.766 62.100 0.042 0.000 1.148 277 T CB -0.686 68.191 68.868 0.014 0.000 0.863 277 T HN 0.506 nan 8.240 nan 0.000 0.436 278 A N 1.090 123.951 122.820 0.068 0.000 1.877 278 A HA 0.008 4.329 4.320 0.001 0.000 0.216 278 A C 2.323 180.035 177.584 0.214 0.000 1.186 278 A CA 1.233 53.340 52.037 0.118 0.000 0.620 278 A CB -0.864 18.244 19.000 0.181 0.000 0.822 278 A HN 0.484 nan 8.150 nan 0.000 0.443 279 L N -0.560 120.775 121.223 0.187 0.000 2.083 279 L HA -0.201 4.140 4.340 0.001 0.000 0.209 279 L C 2.037 178.973 176.870 0.110 0.000 1.083 279 L CA 1.417 56.357 54.840 0.165 0.000 0.752 279 L CB -0.663 41.459 42.059 0.105 0.000 0.899 279 L HN 0.308 nan 8.230 nan 0.000 0.433 280 D N 0.073 120.517 120.400 0.074 0.000 2.144 280 D HA -0.137 4.504 4.640 0.001 0.000 0.199 280 D C 2.384 178.681 176.300 -0.005 0.000 0.984 280 D CA 1.078 55.099 54.000 0.034 0.000 0.834 280 D CB -0.093 40.728 40.800 0.034 0.000 0.955 280 D HN 0.249 nan 8.370 nan 0.000 0.465 281 L N -0.573 120.628 121.223 -0.038 0.000 2.056 281 L HA -0.179 4.162 4.340 0.001 0.000 0.207 281 L C 2.287 179.038 176.870 -0.199 0.000 1.078 281 L CA 0.966 55.722 54.840 -0.139 0.000 0.749 281 L CB -0.417 41.510 42.059 -0.219 0.000 0.901 281 L HN 0.089 nan 8.230 nan 0.000 0.433 282 Y N -0.145 120.079 120.300 -0.127 0.000 2.200 282 Y HA -0.168 4.383 4.550 0.001 0.000 0.290 282 Y C 2.817 178.603 175.900 -0.190 0.000 1.137 282 Y CA 1.149 59.119 58.100 -0.216 0.000 1.163 282 Y CB -0.137 38.150 38.460 -0.289 0.000 0.988 282 Y HN 0.006 nan 8.280 nan 0.000 0.518 283 R N -0.394 120.119 120.500 0.022 0.000 2.075 283 R HA -0.101 4.240 4.340 0.001 0.000 0.232 283 R C 2.453 178.735 176.300 -0.030 0.000 1.126 283 R CA 1.058 57.148 56.100 -0.017 0.000 0.963 283 R CB -0.593 29.700 30.300 -0.011 0.000 0.858 283 R HN 0.290 nan 8.270 nan 0.000 0.435 284 A N 0.720 123.518 122.820 -0.036 0.000 2.015 284 A HA -0.046 4.274 4.320 0.001 0.000 0.219 284 A C 2.167 179.720 177.584 -0.053 0.000 1.163 284 A CA 1.536 53.548 52.037 -0.041 0.000 0.646 284 A CB -0.612 18.361 19.000 -0.044 0.000 0.806 284 A HN 0.451 nan 8.150 nan 0.000 0.448 285 G N -2.053 106.702 108.800 -0.075 0.000 2.920 285 G HA2 0.346 4.307 3.960 0.001 0.000 0.208 285 G HA3 0.346 4.307 3.960 0.001 0.000 0.208 285 G C 1.115 175.984 174.900 -0.051 0.000 1.159 285 G CA 0.576 45.629 45.100 -0.079 0.000 0.784 285 G HN 1.618 nan 8.290 nan 0.000 0.535 286 G N -1.414 107.360 108.800 -0.043 0.000 2.179 286 G HA2 -0.227 3.734 3.960 0.001 0.000 0.220 286 G HA3 -0.227 3.734 3.960 0.001 0.000 0.220 286 G C 0.193 175.078 174.900 -0.025 0.000 0.990 286 G CA 0.012 45.098 45.100 -0.023 0.000 0.646 286 G HN 0.640 nan 8.290 nan 0.000 0.517 287 V N 2.418 122.289 119.914 -0.072 0.000 2.488 287 V HA 0.397 4.518 4.120 0.001 0.000 0.277 287 V C -1.404 174.637 176.094 -0.088 0.000 1.046 287 V CA -1.235 60.992 62.300 -0.122 0.000 0.986 287 V CB 1.211 32.800 31.823 -0.390 0.000 0.989 287 V HN 0.139 nan 8.190 nan 0.000 0.475 288 P HA 0.120 nan 4.420 nan 0.000 0.268 288 P C 0.617 177.890 177.300 -0.047 0.000 1.204 288 P CA 0.074 63.162 63.100 -0.020 0.000 0.768 288 P CB 0.829 32.541 31.700 0.019 0.000 0.842 289 A N 4.335 127.128 122.820 -0.045 0.000 1.908 289 A HA -0.239 4.081 4.320 0.001 0.000 0.218 289 A C 1.637 179.196 177.584 -0.041 0.000 1.181 289 A CA 2.031 54.034 52.037 -0.058 0.000 0.627 289 A CB -1.495 17.473 19.000 -0.052 0.000 0.818 289 A HN 0.794 nan 8.150 nan 0.000 0.445 290 N N -1.274 117.415 118.700 -0.019 0.000 2.575 290 N HA -0.048 4.693 4.740 0.001 0.000 0.192 290 N C 0.881 176.399 175.510 0.012 0.000 1.200 290 N CA 0.576 53.620 53.050 -0.010 0.000 0.897 290 N CB -0.059 38.414 38.487 -0.024 0.000 0.990 290 N HN 0.459 nan 8.380 nan 0.000 0.449 291 K N 0.415 120.841 120.400 0.043 0.000 2.374 291 K HA 0.303 4.624 4.320 0.001 0.000 0.202 291 K C -0.219 176.489 176.600 0.180 0.000 1.040 291 K CA -0.051 56.333 56.287 0.162 0.000 1.085 291 K CB 0.811 33.460 32.500 0.248 0.000 0.873 291 K HN 0.239 nan 8.250 nan 0.000 0.539 292 I N 1.977 122.555 120.570 0.013 0.000 2.355 292 I HA 0.183 4.354 4.170 0.001 0.000 0.288 292 I C -0.395 175.704 176.117 -0.031 0.000 0.999 292 I CA -0.988 60.283 61.300 -0.049 0.000 1.163 292 I CB 1.697 39.568 38.000 -0.215 0.000 1.316 292 I HN -0.305 nan 8.210 nan 0.000 0.454 293 V N 6.883 126.805 119.914 0.015 0.000 2.439 293 V HA 0.201 4.322 4.120 0.001 0.000 0.282 293 V C 0.048 176.111 176.094 -0.051 0.000 1.039 293 V CA -0.677 61.597 62.300 -0.045 0.000 0.913 293 V CB 1.788 33.584 31.823 -0.045 0.000 0.983 293 V HN 0.435 nan 8.190 nan 0.000 0.460 294 L N 5.632 126.798 121.223 -0.095 0.000 2.342 294 L HA 0.550 4.891 4.340 0.001 0.000 0.285 294 L C 0.872 177.665 176.870 -0.128 0.000 1.095 294 L CA 0.489 55.279 54.840 -0.082 0.000 0.843 294 L CB 0.214 42.242 42.059 -0.051 0.000 1.201 294 L HN 0.736 nan 8.230 nan 0.000 0.445 295 G N 5.865 114.637 108.800 -0.046 0.000 2.442 295 G HA2 0.442 4.403 3.960 0.001 0.000 0.249 295 G HA3 0.442 4.403 3.960 0.001 0.000 0.249 295 G C -0.503 174.471 174.900 0.124 0.000 1.263 295 G CA -0.486 44.656 45.100 0.070 0.000 0.846 295 G HN 0.622 nan 8.290 nan 0.000 0.555 296 M N 3.332 123.024 119.600 0.153 0.000 2.446 296 M HA 0.337 4.817 4.480 0.001 0.000 0.294 296 M C -2.531 173.896 176.300 0.212 0.000 1.158 296 M CA -1.864 53.526 55.300 0.151 0.000 0.899 296 M CB 3.654 36.213 32.600 -0.068 0.000 1.687 296 M HN 0.296 nan 8.290 nan 0.000 0.455 297 P HA 0.260 nan 4.420 nan 0.000 0.285 297 P C -0.825 176.412 177.300 -0.105 0.000 1.259 297 P CA -0.288 62.606 63.100 -0.343 0.000 0.794 297 P CB 0.876 32.033 31.700 -0.905 0.000 0.940 298 L N 4.063 125.342 121.223 0.094 0.000 3.034 298 L HA 0.291 4.632 4.340 0.001 0.000 0.245 298 L C -0.253 176.810 176.870 0.321 0.000 1.295 298 L CA -0.383 54.554 54.840 0.162 0.000 1.068 298 L CB -0.764 41.398 42.059 0.172 0.000 1.426 298 L HN 0.484 nan 8.230 nan 0.000 0.531 299 Y N -3.165 117.268 120.300 0.222 0.000 2.689 299 Y HA 0.827 5.377 4.550 0.001 0.000 0.333 299 Y C -0.280 175.789 175.900 0.282 0.000 1.208 299 Y CA -1.399 56.853 58.100 0.254 0.000 1.055 299 Y CB 0.837 39.434 38.460 0.229 0.000 1.304 299 Y HN -0.120 nan 8.280 nan 0.000 0.455 300 G N 0.981 110.054 108.800 0.455 0.000 2.481 300 G HA2 0.674 4.634 3.960 0.001 0.000 0.315 300 G HA3 0.674 4.634 3.960 0.001 0.000 0.315 300 G C -1.582 173.588 174.900 0.450 0.000 1.231 300 G CA -1.503 43.846 45.100 0.414 0.000 0.968 300 G HN 0.585 nan 8.290 nan 0.000 0.482 301 R N 0.698 121.381 120.500 0.305 0.000 2.338 301 R HA 0.479 4.820 4.340 0.001 0.000 0.317 301 R C -0.144 176.063 176.300 -0.155 0.000 0.968 301 R CA -0.411 55.744 56.100 0.091 0.000 0.849 301 R CB 1.762 32.089 30.300 0.046 0.000 1.128 301 R HN 0.677 nan 8.270 nan 0.000 0.448 302 S N 2.198 117.731 115.700 -0.279 0.000 2.651 302 S HA 0.718 5.189 4.470 0.001 0.000 0.291 302 S C -0.519 173.523 174.600 -0.929 0.000 1.141 302 S CA -0.668 57.242 58.200 -0.485 0.000 1.027 302 S CB 1.084 64.137 63.200 -0.244 0.000 1.043 302 S HN 0.384 nan 8.310 nan 0.000 0.530 303 F N 0.130 119.833 119.950 -0.412 0.000 2.557 303 F HA 0.698 5.226 4.527 0.001 0.000 0.316 303 F C 0.337 176.081 175.800 -0.093 0.000 1.141 303 F CA -0.810 57.016 58.000 -0.290 0.000 0.922 303 F CB 1.784 40.494 39.000 -0.484 0.000 1.194 303 F HN 0.936 nan 8.300 nan 0.000 0.443 304 A N 2.191 125.241 122.820 0.383 0.000 2.282 304 A HA 0.587 4.908 4.320 0.001 0.000 0.319 304 A C 0.348 178.175 177.584 0.405 0.000 1.121 304 A CA -0.726 51.616 52.037 0.509 0.000 0.836 304 A CB 0.271 19.586 19.000 0.524 0.000 1.146 304 A HN 0.878 nan 8.150 nan 0.000 0.494 305 N N -0.215 118.686 118.700 0.334 0.000 2.714 305 N HA -0.141 4.599 4.740 0.001 0.000 0.253 305 N C -0.294 175.367 175.510 0.251 0.000 1.024 305 N CA 1.547 54.744 53.050 0.246 0.000 0.726 305 N CB -1.147 37.453 38.487 0.188 0.000 0.908 305 N HN 0.814 nan 8.380 nan 0.000 0.542 306 T N -1.150 113.578 114.554 0.290 0.000 2.893 306 T HA 0.293 4.644 4.350 0.001 0.000 0.291 306 T C 0.621 175.467 174.700 0.243 0.000 1.028 306 T CA -0.659 61.582 62.100 0.235 0.000 0.995 306 T CB 1.286 70.276 68.868 0.202 0.000 1.051 306 T HN -0.045 nan 8.240 nan 0.000 0.470 307 D N 2.018 122.478 120.400 0.100 0.000 2.277 307 D HA 0.260 4.901 4.640 0.001 0.000 0.208 307 D C 1.044 177.197 176.300 -0.245 0.000 0.962 307 D CA 0.921 54.939 54.000 0.031 0.000 0.865 307 D CB 0.381 41.176 40.800 -0.009 0.000 0.939 307 D HN 0.817 nan 8.370 nan 0.000 0.510 308 G N -0.238 108.401 108.800 -0.269 0.000 2.317 308 G HA2 0.219 4.180 3.960 0.001 0.000 0.293 308 G HA3 0.219 4.180 3.960 0.001 0.000 0.293 308 G C -3.055 171.595 174.900 -0.417 0.000 1.287 308 G CA -0.977 43.838 45.100 -0.475 0.000 0.850 308 G HN -0.259 nan 8.290 nan 0.000 0.515 309 P HA 0.384 nan 4.420 nan 0.000 0.268 309 P C 0.782 177.839 177.300 -0.406 0.000 1.204 309 P CA 1.878 64.612 63.100 -0.610 0.000 0.768 309 P CB 0.987 32.234 31.700 -0.754 0.000 0.842 310 G N 1.055 109.610 108.800 -0.409 0.000 2.198 310 G HA2 -0.203 3.757 3.960 0.001 0.000 0.257 310 G HA3 -0.203 3.757 3.960 0.001 0.000 0.257 310 G C -0.043 174.747 174.900 -0.183 0.000 1.042 310 G CA -0.098 44.847 45.100 -0.257 0.000 0.791 310 G HN 0.482 nan 8.290 nan 0.000 0.502 311 K N -0.705 119.581 120.400 -0.191 0.000 2.444 311 K HA 0.561 4.882 4.320 0.001 0.000 0.252 311 K C -2.741 173.851 176.600 -0.013 0.000 0.993 311 K CA -2.183 54.046 56.287 -0.096 0.000 0.847 311 K CB 1.788 34.230 32.500 -0.097 0.000 1.340 311 K HN -0.086 nan 8.250 nan 0.000 0.446 312 P HA 0.035 nan 4.420 nan 0.000 0.268 312 P C -1.108 176.290 177.300 0.163 0.000 1.208 312 P CA 0.333 63.469 63.100 0.060 0.000 0.777 312 P CB 0.150 31.855 31.700 0.008 0.000 0.875 313 Y N -0.450 119.862 120.300 0.020 0.000 2.655 313 Y HA 0.722 5.273 4.550 0.001 0.000 0.336 313 Y C -1.352 174.606 175.900 0.095 0.000 1.154 313 Y CA -1.489 56.659 58.100 0.080 0.000 1.055 313 Y CB 1.240 39.783 38.460 0.137 0.000 1.295 313 Y HN 0.169 nan 8.280 nan 0.000 0.465 314 N N 0.992 119.771 118.700 0.131 0.000 2.581 314 N HA 0.539 5.279 4.740 0.001 0.000 0.279 314 N C -0.507 175.113 175.510 0.183 0.000 1.124 314 N CA 0.673 53.731 53.050 0.014 0.000 0.833 314 N CB 1.431 39.935 38.487 0.029 0.000 1.338 314 N HN 1.523 nan 8.380 nan 0.000 0.533 315 G N 0.564 109.480 108.800 0.193 0.000 2.746 315 G HA2 -0.125 3.836 3.960 0.001 0.000 0.685 315 G HA3 -0.125 3.836 3.960 0.001 0.000 0.685 315 G C 0.187 175.314 174.900 0.380 0.000 1.350 315 G CA -0.251 44.999 45.100 0.251 0.000 0.837 315 G HN 1.280 nan 8.290 nan 0.000 0.564 316 V N -1.726 118.349 119.914 0.269 0.000 3.346 316 V HA 0.689 4.810 4.120 0.001 0.000 0.309 316 V C 1.724 178.047 176.094 0.381 0.000 1.457 316 V CA 1.103 63.524 62.300 0.202 0.000 1.069 316 V CB -0.240 31.587 31.823 0.007 0.000 0.944 316 V HN 2.995 nan 8.190 nan 0.000 0.449 317 G N 1.240 110.280 108.800 0.400 0.000 2.645 317 G HA2 -0.239 3.721 3.960 0.001 0.000 0.246 317 G HA3 -0.239 3.721 3.960 0.001 0.000 0.246 317 G C -0.243 174.816 174.900 0.264 0.000 1.322 317 G CA 0.581 45.928 45.100 0.411 0.000 0.898 317 G HN 0.629 nan 8.290 nan 0.000 0.573 318 Q N -0.695 119.259 119.800 0.257 0.000 2.722 318 Q HA 0.609 4.950 4.340 0.001 0.000 0.187 318 Q C 0.849 176.483 176.000 -0.610 0.000 1.110 318 Q CA 0.005 55.773 55.803 -0.058 0.000 0.798 318 Q CB 0.618 29.334 28.738 -0.037 0.000 3.872 318 Q HN 1.621 nan 8.270 nan 0.000 0.411 319 G N -1.210 106.851 108.800 -1.231 0.000 2.428 319 G HA2 0.205 4.166 3.960 0.001 0.000 0.304 319 G HA3 0.205 4.166 3.960 0.001 0.000 0.304 319 G C -0.353 173.754 174.900 -1.321 0.000 1.303 319 G CA -0.252 43.634 45.100 -2.023 0.000 0.825 319 G HN 0.363 nan 8.290 nan 0.000 0.484 320 S N -1.218 113.899 115.700 -0.972 0.000 2.371 320 S HA 0.054 4.525 4.470 0.001 0.000 0.221 320 S C 1.197 175.018 174.600 -1.300 0.000 1.036 320 S CA 1.599 59.192 58.200 -1.012 0.000 0.965 320 S CB -0.107 62.551 63.200 -0.904 0.000 0.845 320 S HN 0.573 nan 8.310 nan 0.000 0.475 321 W N 0.913 122.132 121.300 -0.134 0.000 2.555 321 W HA 0.467 5.128 4.660 0.002 0.000 0.324 321 W C 0.341 176.804 176.519 -0.093 0.000 0.973 321 W CA -0.511 56.793 57.345 -0.068 0.000 1.481 321 W CB 0.819 30.282 29.460 0.005 0.000 1.064 321 W HN 0.096 nan 8.180 nan 0.000 0.543 322 E N 1.021 121.190 120.200 -0.052 0.000 2.363 322 E HA 0.189 4.540 4.350 0.001 0.000 0.281 322 E C -0.863 175.622 176.600 -0.192 0.000 0.953 322 E CA -0.722 55.639 56.400 -0.064 0.000 0.778 322 E CB 0.860 30.565 29.700 0.007 0.000 1.220 322 E HN -0.276 nan 8.360 nan 0.000 0.431 323 N N 1.334 119.943 118.700 -0.152 0.000 2.492 323 N HA 0.245 4.986 4.740 0.001 0.000 0.262 323 N C 0.832 176.251 175.510 -0.152 0.000 1.202 323 N CA 1.724 54.666 53.050 -0.180 0.000 0.926 323 N CB 1.108 39.549 38.487 -0.077 0.000 1.078 323 N HN 0.863 nan 8.380 nan 0.000 0.454 324 G N -0.274 108.414 108.800 -0.186 0.000 2.195 324 G HA2 -0.235 3.726 3.960 0.001 0.000 0.246 324 G HA3 -0.235 3.726 3.960 0.001 0.000 0.246 324 G C -0.383 174.445 174.900 -0.120 0.000 0.984 324 G CA 0.263 45.301 45.100 -0.103 0.000 0.633 324 G HN 0.508 nan 8.290 nan 0.000 0.525 325 V N -0.126 119.624 119.914 -0.274 0.000 2.531 325 V HA 0.753 4.873 4.120 0.001 0.000 0.301 325 V C -0.695 175.231 176.094 -0.279 0.000 1.034 325 V CA -0.847 61.396 62.300 -0.095 0.000 0.865 325 V CB 1.391 33.196 31.823 -0.030 0.000 0.995 325 V HN 0.310 nan 8.190 nan 0.000 0.424 326 W N 1.409 122.792 121.300 0.138 0.000 2.702 326 W HA 0.560 5.221 4.660 0.002 0.000 0.331 326 W C -0.199 176.408 176.519 0.147 0.000 1.049 326 W CA -0.639 56.753 57.345 0.078 0.000 1.230 326 W CB 1.043 30.522 29.460 0.032 0.000 1.408 326 W HN 0.429 nan 8.180 nan 0.000 0.492 327 D N 1.481 122.078 120.400 0.329 0.000 2.455 327 D HA -0.129 4.512 4.640 0.001 0.000 0.241 327 D C 0.864 177.309 176.300 0.241 0.000 1.138 327 D CA 0.200 54.387 54.000 0.312 0.000 0.877 327 D CB 0.534 41.494 40.800 0.265 0.000 1.187 327 D HN 0.471 nan 8.370 nan 0.000 0.451 328 Y N 3.544 123.918 120.300 0.123 0.000 2.207 328 Y HA -0.256 4.295 4.550 0.001 0.000 0.287 328 Y C 1.971 177.857 175.900 -0.023 0.000 1.156 328 Y CA 1.900 60.006 58.100 0.010 0.000 1.182 328 Y CB 0.008 38.507 38.460 0.065 0.000 0.979 328 Y HN 0.433 nan 8.280 nan 0.000 0.521 329 K N -0.034 120.274 120.400 -0.154 0.000 2.442 329 K HA 0.034 4.355 4.320 0.001 0.000 0.198 329 K C 1.674 178.145 176.600 -0.215 0.000 1.044 329 K CA 1.127 57.248 56.287 -0.277 0.000 0.948 329 K CB -0.376 32.077 32.500 -0.079 0.000 0.762 329 K HN 0.292 nan 8.250 nan 0.000 0.472 330 A N 1.189 123.928 122.820 -0.136 0.000 2.275 330 A HA 0.272 4.593 4.320 0.001 0.000 0.212 330 A C 0.536 177.997 177.584 -0.205 0.000 1.201 330 A CA -0.262 51.715 52.037 -0.101 0.000 0.843 330 A CB -0.028 18.994 19.000 0.038 0.000 0.873 330 A HN 0.206 nan 8.150 nan 0.000 0.492 331 L N 0.643 121.664 121.223 -0.337 0.000 2.330 331 L HA 0.451 4.792 4.340 0.001 0.000 0.271 331 L C -2.415 174.273 176.870 -0.303 0.000 1.013 331 L CA -2.495 52.092 54.840 -0.422 0.000 0.816 331 L CB 1.858 43.406 42.059 -0.852 0.000 1.287 331 L HN -0.017 nan 8.230 nan 0.000 0.435 332 P HA 0.161 nan 4.420 nan 0.000 0.276 332 P C -1.396 175.820 177.300 -0.140 0.000 1.244 332 P CA -0.573 62.468 63.100 -0.097 0.000 0.801 332 P CB 0.851 32.589 31.700 0.063 0.000 1.006 333 Q N 0.364 120.063 119.800 -0.167 0.000 2.354 333 Q HA 0.446 4.787 4.340 0.001 0.000 0.244 333 Q C 0.331 176.262 176.000 -0.115 0.000 0.969 333 Q CA -0.637 55.059 55.803 -0.178 0.000 0.885 333 Q CB 0.496 29.076 28.738 -0.262 0.000 1.241 333 Q HN 0.529 nan 8.270 nan 0.000 0.461 334 A N 0.844 123.601 122.820 -0.105 0.000 2.565 334 A HA 0.344 4.665 4.320 0.001 0.000 0.237 334 A C 1.223 178.763 177.584 -0.074 0.000 1.053 334 A CA 0.841 52.832 52.037 -0.077 0.000 0.755 334 A CB -0.681 18.277 19.000 -0.069 0.000 0.980 334 A HN 1.011 nan 8.150 nan 0.000 0.506 335 G N 0.459 109.226 108.800 -0.055 0.000 2.241 335 G HA2 0.155 4.116 3.960 0.001 0.000 0.244 335 G HA3 0.155 4.116 3.960 0.001 0.000 0.244 335 G C 0.565 175.441 174.900 -0.041 0.000 0.998 335 G CA 0.594 45.665 45.100 -0.048 0.000 0.621 335 G HN 2.236 nan 8.290 nan 0.000 0.519 336 A N -0.242 122.557 122.820 -0.037 0.000 2.282 336 A HA 0.851 5.172 4.320 0.001 0.000 0.319 336 A C 0.196 177.768 177.584 -0.020 0.000 1.121 336 A CA 0.709 52.738 52.037 -0.013 0.000 0.836 336 A CB 1.123 20.134 19.000 0.018 0.000 1.146 336 A HN 0.737 nan 8.150 nan 0.000 0.494 337 T N 1.502 116.037 114.554 -0.031 0.000 2.841 337 T HA 0.395 4.746 4.350 0.001 0.000 0.283 337 T C -0.433 174.068 174.700 -0.331 0.000 1.000 337 T CA -0.374 61.635 62.100 -0.152 0.000 0.977 337 T CB 1.221 70.000 68.868 -0.149 0.000 0.979 337 T HN 0.689 nan 8.240 nan 0.000 0.446 338 E N 1.942 121.941 120.200 -0.336 0.000 2.343 338 E HA 0.267 4.617 4.350 0.001 0.000 0.269 338 E C -0.481 175.698 176.600 -0.702 0.000 1.047 338 E CA -0.586 55.590 56.400 -0.374 0.000 0.874 338 E CB 0.566 30.171 29.700 -0.159 0.000 1.033 338 E HN 0.522 nan 8.360 nan 0.000 0.409 339 H N 0.543 119.345 119.070 -0.447 0.000 2.771 339 H HA 0.374 4.931 4.556 0.001 0.000 0.361 339 H C -1.010 174.072 175.328 -0.410 0.000 1.108 339 H CA -0.608 55.146 56.048 -0.490 0.000 1.201 339 H CB 1.522 30.785 29.762 -0.833 0.000 1.681 339 H HN 0.159 nan 8.280 nan 0.000 0.534 340 V N 3.887 123.754 119.914 -0.079 0.000 2.680 340 V HA 0.321 4.442 4.120 0.001 0.000 0.309 340 V C 0.092 176.194 176.094 0.013 0.000 1.052 340 V CA -0.748 61.528 62.300 -0.040 0.000 0.908 340 V CB 2.384 34.185 31.823 -0.036 0.000 1.001 340 V HN 0.519 nan 8.190 nan 0.000 0.431 341 L N 6.506 127.739 121.223 0.015 0.000 2.445 341 L HA 0.348 4.688 4.340 0.001 0.000 0.252 341 L C -1.386 175.477 176.870 -0.010 0.000 1.105 341 L CA -1.363 53.482 54.840 0.008 0.000 0.943 341 L CB 1.941 43.989 42.059 -0.018 0.000 1.277 341 L HN 0.480 nan 8.230 nan 0.000 0.465 342 P HA -0.187 nan 4.420 nan 0.000 0.216 342 P C 0.515 177.832 177.300 0.029 0.000 1.150 342 P CA 1.242 64.350 63.100 0.013 0.000 0.837 342 P CB 0.419 32.127 31.700 0.014 0.000 0.786 343 D N -0.198 120.212 120.400 0.016 0.000 2.371 343 D HA -0.021 4.619 4.640 0.001 0.000 0.221 343 D C 1.660 178.012 176.300 0.088 0.000 0.986 343 D CA 0.681 54.688 54.000 0.013 0.000 0.899 343 D CB -0.171 40.608 40.800 -0.035 0.000 0.902 343 D HN 0.439 nan 8.370 nan 0.000 0.530 344 I N -4.294 116.322 120.570 0.077 0.000 4.147 344 I HA 0.248 4.418 4.170 0.001 0.000 0.329 344 I C 0.017 176.143 176.117 0.016 0.000 1.424 344 I CA -0.326 61.039 61.300 0.107 0.000 1.127 344 I CB 0.014 38.009 38.000 -0.008 0.000 1.128 344 I HN -0.280 nan 8.210 nan 0.000 0.417 345 M N 1.746 121.354 119.600 0.012 0.000 2.303 345 M HA -0.194 4.287 4.480 0.001 0.000 0.189 345 M C -0.127 176.134 176.300 -0.065 0.000 0.688 345 M CA 0.856 56.134 55.300 -0.038 0.000 0.479 345 M CB -1.553 30.988 32.600 -0.098 0.000 1.094 345 M HN 0.685 nan 8.290 nan 0.000 0.907 346 A N 0.515 123.289 122.820 -0.077 0.000 2.498 346 A HA 0.958 5.279 4.320 0.001 0.000 0.298 346 A C -0.070 177.495 177.584 -0.031 0.000 1.075 346 A CA 0.114 52.102 52.037 -0.081 0.000 0.714 346 A CB 1.861 20.705 19.000 -0.260 0.000 1.299 346 A HN 0.685 nan 8.150 nan 0.000 0.407 347 S N -0.309 115.397 115.700 0.009 0.000 2.618 347 S HA 0.934 5.405 4.470 0.001 0.000 0.277 347 S C -0.924 173.697 174.600 0.035 0.000 1.138 347 S CA -0.510 57.668 58.200 -0.036 0.000 0.844 347 S CB 1.435 64.529 63.200 -0.177 0.000 1.127 347 S HN 1.999 nan 8.310 nan 0.000 0.474 348 Y N -1.612 118.605 120.300 -0.138 0.000 2.641 348 Y HA 0.791 5.342 4.550 0.001 0.000 0.333 348 Y C -0.935 174.968 175.900 0.005 0.000 1.174 348 Y CA -0.891 57.150 58.100 -0.098 0.000 1.057 348 Y CB 0.668 39.200 38.460 0.119 0.000 1.322 348 Y HN 0.968 nan 8.280 nan 0.000 0.457 349 S N 1.291 117.159 115.700 0.279 0.000 2.537 349 S HA 0.760 5.231 4.470 0.001 0.000 0.301 349 S C -1.734 173.142 174.600 0.460 0.000 1.092 349 S CA -0.593 57.761 58.200 0.257 0.000 1.048 349 S CB 2.060 65.474 63.200 0.358 0.000 1.053 349 S HN 0.928 nan 8.310 nan 0.000 0.501 350 Y N 0.988 121.436 120.300 0.247 0.000 2.457 350 Y HA 0.530 5.080 4.550 0.001 0.000 0.343 350 Y C -1.713 174.313 175.900 0.211 0.000 0.994 350 Y CA -0.953 57.332 58.100 0.307 0.000 1.031 350 Y CB 2.034 40.769 38.460 0.459 0.000 1.246 350 Y HN 0.842 nan 8.280 nan 0.000 0.449 351 D N 4.288 124.374 120.400 -0.524 0.000 2.454 351 D HA 0.406 5.047 4.640 0.001 0.000 0.247 351 D C 0.307 176.250 176.300 -0.595 0.000 1.129 351 D CA 0.165 53.964 54.000 -0.335 0.000 0.877 351 D CB 1.760 42.474 40.800 -0.142 0.000 1.082 351 D HN 0.793 nan 8.370 nan 0.000 0.537 352 A N 2.809 125.423 122.820 -0.342 0.000 2.019 352 A HA -0.144 4.177 4.320 0.001 0.000 0.219 352 A C 2.045 179.601 177.584 -0.046 0.000 1.164 352 A CA 2.073 54.045 52.037 -0.108 0.000 0.644 352 A CB -0.624 18.479 19.000 0.171 0.000 0.805 352 A HN 0.650 nan 8.150 nan 0.000 0.449 353 T N -0.141 114.380 114.554 -0.056 0.000 2.708 353 T HA -0.185 4.166 4.350 0.001 0.000 0.266 353 T C 1.241 175.926 174.700 -0.023 0.000 1.037 353 T CA 1.583 63.669 62.100 -0.024 0.000 1.146 353 T CB -0.573 68.278 68.868 -0.028 0.000 0.865 353 T HN 0.630 nan 8.240 nan 0.000 0.435 354 N N 0.433 119.103 118.700 -0.051 0.000 2.205 354 N HA 0.148 4.889 4.740 0.001 0.000 0.201 354 N C -0.007 175.523 175.510 0.033 0.000 1.128 354 N CA -0.325 52.716 53.050 -0.016 0.000 0.867 354 N CB -0.125 38.332 38.487 -0.050 0.000 0.996 354 N HN 0.502 nan 8.380 nan 0.000 0.503 355 K N -0.223 120.153 120.400 -0.039 0.000 3.096 355 K HA -0.210 4.111 4.320 0.001 0.000 0.266 355 K C -1.186 175.522 176.600 0.180 0.000 1.043 355 K CA 0.378 56.688 56.287 0.038 0.000 0.758 355 K CB -1.892 30.731 32.500 0.206 0.000 1.260 355 K HN 0.275 nan 8.250 nan 0.000 0.481 356 F N 1.218 121.080 119.950 -0.147 0.000 2.404 356 F HA 0.474 5.002 4.527 0.001 0.000 0.354 356 F C -0.030 175.817 175.800 0.078 0.000 1.122 356 F CA -1.127 56.877 58.000 0.007 0.000 1.080 356 F CB 0.833 39.806 39.000 -0.045 0.000 1.131 356 F HN 0.095 nan 8.300 nan 0.000 0.471 357 L N 7.082 128.295 121.223 -0.017 0.000 2.329 357 L HA 0.680 5.021 4.340 0.001 0.000 0.279 357 L C -1.338 175.511 176.870 -0.035 0.000 1.014 357 L CA -0.503 54.452 54.840 0.191 0.000 0.814 357 L CB 1.372 43.612 42.059 0.302 0.000 1.257 357 L HN 0.521 nan 8.230 nan 0.000 0.424 358 I N 3.387 124.054 120.570 0.161 0.000 2.478 358 I HA 0.257 4.428 4.170 0.001 0.000 0.287 358 I C -0.490 175.875 176.117 0.412 0.000 1.042 358 I CA -0.451 60.965 61.300 0.194 0.000 1.067 358 I CB 2.039 40.125 38.000 0.143 0.000 1.233 358 I HN 0.482 nan 8.210 nan 0.000 0.431 359 S N 7.063 122.984 115.700 0.367 0.000 2.410 359 S HA 0.629 5.100 4.470 0.001 0.000 0.304 359 S C -0.970 173.848 174.600 0.364 0.000 1.095 359 S CA -0.241 58.161 58.200 0.337 0.000 1.089 359 S CB -0.031 63.355 63.200 0.310 0.000 0.968 359 S HN 0.489 nan 8.310 nan 0.000 0.480 360 Y N 0.953 121.363 120.300 0.184 0.000 2.656 360 Y HA 0.644 5.195 4.550 0.001 0.000 0.334 360 Y C -1.334 174.626 175.900 0.100 0.000 1.179 360 Y CA -1.526 56.642 58.100 0.112 0.000 1.050 360 Y CB 0.401 38.963 38.460 0.170 0.000 1.308 360 Y HN 0.275 nan 8.280 nan 0.000 0.456 361 D N 2.205 122.665 120.400 0.101 0.000 2.225 361 D HA 0.227 4.868 4.640 0.001 0.000 0.248 361 D C -0.546 175.782 176.300 0.047 0.000 1.096 361 D CA -0.146 53.845 54.000 -0.015 0.000 0.863 361 D CB 1.136 41.922 40.800 -0.023 0.000 1.156 361 D HN 0.703 nan 8.370 nan 0.000 0.450 362 N N 1.298 120.010 118.700 0.020 0.000 2.530 362 N HA 0.367 5.107 4.740 0.001 0.000 0.283 362 N C -2.323 173.233 175.510 0.077 0.000 1.238 362 N CA -1.648 51.498 53.050 0.161 0.000 0.971 362 N CB -0.175 38.393 38.487 0.135 0.000 1.195 362 N HN -0.101 nan 8.380 nan 0.000 0.583 363 P HA -0.190 nan 4.420 nan 0.000 0.216 363 P C 1.351 178.685 177.300 0.057 0.000 1.150 363 P CA 1.666 64.817 63.100 0.086 0.000 0.843 363 P CB 0.207 31.974 31.700 0.110 0.000 0.787 364 Q N -0.313 119.515 119.800 0.047 0.000 2.061 364 Q HA -0.145 4.196 4.340 0.001 0.000 0.204 364 Q C 1.924 177.938 176.000 0.024 0.000 0.984 364 Q CA 1.610 57.431 55.803 0.031 0.000 0.846 364 Q CB -0.506 28.243 28.738 0.017 0.000 0.902 364 Q HN 0.036 nan 8.270 nan 0.000 0.421 365 V N 0.837 120.758 119.914 0.011 0.000 2.407 365 V HA -0.262 3.859 4.120 0.001 0.000 0.248 365 V C 2.304 178.410 176.094 0.019 0.000 1.055 365 V CA 1.683 63.984 62.300 0.002 0.000 1.049 365 V CB -0.927 30.884 31.823 -0.020 0.000 0.662 365 V HN 0.495 nan 8.190 nan 0.000 0.455 366 A N 0.155 122.996 122.820 0.035 0.000 1.902 366 A HA -0.218 4.103 4.320 0.001 0.000 0.217 366 A C 2.114 179.741 177.584 0.073 0.000 1.181 366 A CA 1.883 53.962 52.037 0.070 0.000 0.623 366 A CB -0.603 18.446 19.000 0.082 0.000 0.818 366 A HN 0.584 nan 8.150 nan 0.000 0.443 367 N N 0.119 118.855 118.700 0.059 0.000 2.120 367 N HA -0.094 4.647 4.740 0.001 0.000 0.188 367 N C 1.740 177.283 175.510 0.055 0.000 1.024 367 N CA 1.383 54.467 53.050 0.057 0.000 0.852 367 N CB -0.404 38.112 38.487 0.048 0.000 1.003 367 N HN 0.503 nan 8.380 nan 0.000 0.424 368 L N 1.349 122.601 121.223 0.049 0.000 2.046 368 L HA -0.151 4.189 4.340 0.001 0.000 0.208 368 L C 2.226 179.138 176.870 0.070 0.000 1.077 368 L CA 1.265 56.138 54.840 0.055 0.000 0.747 368 L CB -0.270 41.810 42.059 0.035 0.000 0.896 368 L HN 0.110 nan 8.230 nan 0.000 0.432 369 K N -0.626 119.802 120.400 0.047 0.000 2.211 369 K HA -0.075 4.246 4.320 0.001 0.000 0.203 369 K C 2.248 178.910 176.600 0.103 0.000 1.050 369 K CA 1.201 57.526 56.287 0.064 0.000 0.945 369 K CB -0.043 32.469 32.500 0.019 0.000 0.732 369 K HN 0.181 nan 8.250 nan 0.000 0.451 370 S N 0.499 116.238 115.700 0.065 0.000 2.368 370 S HA -0.088 4.383 4.470 0.001 0.000 0.224 370 S C 2.101 176.710 174.600 0.014 0.000 1.029 370 S CA 1.295 59.505 58.200 0.018 0.000 0.988 370 S CB -0.326 62.892 63.200 0.028 0.000 0.838 370 S HN 0.561 nan 8.310 nan 0.000 0.462 371 G N -0.017 108.822 108.800 0.064 0.000 2.432 371 G HA2 -0.233 3.728 3.960 0.001 0.000 0.219 371 G HA3 -0.233 3.728 3.960 0.001 0.000 0.219 371 G C 1.246 176.215 174.900 0.115 0.000 1.135 371 G CA 0.684 45.829 45.100 0.075 0.000 0.767 371 G HN 0.521 nan 8.290 nan 0.000 0.550 372 Y N 1.170 121.471 120.300 0.002 0.000 2.145 372 Y HA -0.049 4.502 4.550 0.001 0.000 0.286 372 Y C 2.593 178.483 175.900 -0.017 0.000 1.145 372 Y CA 1.212 59.315 58.100 0.005 0.000 1.148 372 Y CB -0.263 38.186 38.460 -0.019 0.000 0.981 372 Y HN 0.172 nan 8.280 nan 0.000 0.507 373 I N 0.261 120.824 120.570 -0.012 0.000 2.163 373 I HA -0.385 3.786 4.170 0.001 0.000 0.243 373 I C 2.388 178.436 176.117 -0.115 0.000 1.085 373 I CA 1.834 63.054 61.300 -0.134 0.000 1.347 373 I CB -0.381 37.510 38.000 -0.182 0.000 1.044 373 I HN 0.196 nan 8.210 nan 0.000 0.408 374 K N 0.429 120.773 120.400 -0.095 0.000 2.057 374 K HA -0.155 4.166 4.320 0.001 0.000 0.207 374 K C 2.281 178.903 176.600 0.037 0.000 1.049 374 K CA 1.865 58.173 56.287 0.034 0.000 0.931 374 K CB -0.314 32.209 32.500 0.038 0.000 0.714 374 K HN 0.429 nan 8.250 nan 0.000 0.440 375 S N 0.911 116.603 115.700 -0.014 0.000 2.399 375 S HA -0.100 4.370 4.470 0.001 0.000 0.231 375 S C 1.780 176.337 174.600 -0.072 0.000 1.022 375 S CA 0.899 59.088 58.200 -0.019 0.000 0.983 375 S CB -0.119 63.087 63.200 0.010 0.000 0.803 375 S HN 0.083 nan 8.310 nan 0.000 0.480 376 L N 1.328 122.450 121.223 -0.169 0.000 2.585 376 L HA 0.434 4.775 4.340 0.001 0.000 0.226 376 L C 1.687 178.505 176.870 -0.086 0.000 1.113 376 L CA 0.801 55.530 54.840 -0.185 0.000 0.876 376 L CB -0.626 41.198 42.059 -0.391 0.000 1.072 376 L HN 0.571 nan 8.230 nan 0.000 0.468 377 G N 0.190 108.983 108.800 -0.013 0.000 2.221 377 G HA2 -0.277 3.684 3.960 0.001 0.000 0.265 377 G HA3 -0.277 3.684 3.960 0.001 0.000 0.265 377 G C 0.443 175.373 174.900 0.050 0.000 1.041 377 G CA 0.265 45.398 45.100 0.054 0.000 0.807 377 G HN 0.264 nan 8.290 nan 0.000 0.502 378 L N -0.901 120.342 121.223 0.032 0.000 2.473 378 L HA 0.385 4.726 4.340 0.001 0.000 0.265 378 L C 2.062 178.988 176.870 0.093 0.000 1.243 378 L CA 0.395 55.237 54.840 0.003 0.000 0.822 378 L CB 0.225 42.246 42.059 -0.063 0.000 1.101 378 L HN 0.201 nan 8.230 nan 0.000 0.507 379 G N -0.536 108.277 108.800 0.021 0.000 2.848 379 G HA2 0.384 4.345 3.960 0.001 0.000 0.208 379 G HA3 0.384 4.345 3.960 0.001 0.000 0.208 379 G C 0.577 175.485 174.900 0.014 0.000 1.152 379 G CA 0.673 45.771 45.100 -0.002 0.000 0.789 379 G HN 1.019 nan 8.290 nan 0.000 0.531 380 G N -1.576 107.250 108.800 0.043 0.000 2.302 380 G HA2 0.524 4.485 3.960 0.001 0.000 0.276 380 G HA3 0.524 4.485 3.960 0.001 0.000 0.276 380 G C -0.983 173.818 174.900 -0.165 0.000 1.316 380 G CA -0.235 44.851 45.100 -0.023 0.000 0.988 380 G HN 1.135 nan 8.290 nan 0.000 0.479 381 A N -0.468 122.199 122.820 -0.255 0.000 2.380 381 A HA 0.935 5.256 4.320 0.001 0.000 0.315 381 A C -0.194 177.033 177.584 -0.595 0.000 1.101 381 A CA -0.222 51.508 52.037 -0.512 0.000 0.771 381 A CB 1.908 20.474 19.000 -0.724 0.000 1.287 381 A HN 1.845 nan 8.150 nan 0.000 0.436 382 M N 1.924 121.116 119.600 -0.680 0.000 2.550 382 M HA 0.580 5.061 4.480 0.001 0.000 0.292 382 M C -2.406 173.681 176.300 -0.354 0.000 1.221 382 M CA -0.485 54.636 55.300 -0.299 0.000 0.873 382 M CB 1.794 34.411 32.600 0.029 0.000 1.727 382 M HN 0.804 nan 8.290 nan 0.000 0.459 383 W N 2.863 124.327 121.300 0.274 0.000 3.127 383 W HA 0.411 5.072 4.660 0.001 0.000 0.330 383 W C -1.468 175.273 176.519 0.369 0.000 1.187 383 W CA -0.669 56.843 57.345 0.277 0.000 1.198 383 W CB 1.588 31.133 29.460 0.141 0.000 1.408 383 W HN 0.709 nan 8.180 nan 0.000 0.529 384 W N 5.041 126.551 121.300 0.350 0.000 2.538 384 W HA 0.362 5.023 4.660 0.001 0.000 0.322 384 W C -1.317 175.305 176.519 0.173 0.000 1.028 384 W CA -0.555 56.889 57.345 0.166 0.000 1.228 384 W CB 1.598 31.001 29.460 -0.095 0.000 1.356 384 W HN 0.568 nan 8.180 nan 0.000 0.452 385 D N 0.872 121.190 120.400 -0.137 0.000 2.531 385 D HA 0.301 4.941 4.640 0.001 0.000 0.244 385 D C 0.902 177.031 176.300 -0.285 0.000 1.090 385 D CA -0.426 53.257 54.000 -0.528 0.000 0.989 385 D CB 1.617 41.647 40.800 -1.282 0.000 1.433 385 D HN 0.068 nan 8.370 nan 0.000 0.492 386 S N -0.092 115.449 115.700 -0.266 0.000 2.440 386 S HA -0.246 4.225 4.470 0.001 0.000 0.238 386 S C 1.740 176.048 174.600 -0.486 0.000 1.010 386 S CA 1.293 59.392 58.200 -0.168 0.000 0.972 386 S CB -0.971 62.313 63.200 0.140 0.000 0.774 386 S HN 0.590 nan 8.310 nan 0.000 0.501 387 S N 1.520 116.728 115.700 -0.820 0.000 2.489 387 S HA 0.036 4.507 4.470 0.001 0.000 0.228 387 S C 1.584 175.921 174.600 -0.439 0.000 0.995 387 S CA 0.545 58.061 58.200 -1.140 0.000 0.934 387 S CB -0.574 62.117 63.200 -0.848 0.000 0.771 387 S HN 0.748 nan 8.310 nan 0.000 0.522 388 S N -0.098 115.487 115.700 -0.193 0.000 2.568 388 S HA 0.270 4.741 4.470 0.001 0.000 0.232 388 S C -0.078 174.591 174.600 0.115 0.000 0.975 388 S CA -0.559 57.663 58.200 0.037 0.000 0.949 388 S CB -0.189 63.116 63.200 0.175 0.000 0.829 388 S HN 0.388 nan 8.310 nan 0.000 0.479 389 D N 2.318 122.746 120.400 0.048 0.000 2.358 389 D HA 0.328 4.968 4.640 0.001 0.000 0.244 389 D C 0.020 176.392 176.300 0.121 0.000 1.163 389 D CA -0.105 53.983 54.000 0.147 0.000 0.945 389 D CB 0.829 41.618 40.800 -0.018 0.000 1.152 389 D HN 0.163 nan 8.370 nan 0.000 0.451 390 K N -0.344 120.164 120.400 0.180 0.000 2.127 390 K HA 0.410 4.731 4.320 0.001 0.000 0.240 390 K C 0.151 176.779 176.600 0.047 0.000 1.024 390 K CA -0.629 55.681 56.287 0.038 0.000 0.918 390 K CB 0.950 33.431 32.500 -0.031 0.000 1.108 390 K HN 0.568 nan 8.250 nan 0.000 0.485 391 T N -2.267 112.299 114.554 0.020 0.000 2.937 391 T HA 0.678 5.029 4.350 0.001 0.000 0.283 391 T C 0.604 175.315 174.700 0.019 0.000 1.012 391 T CA -0.148 61.962 62.100 0.018 0.000 0.997 391 T CB 1.443 70.319 68.868 0.013 0.000 1.136 391 T HN 0.840 nan 8.240 nan 0.000 0.551 392 G N 0.968 109.777 108.800 0.015 0.000 2.642 392 G HA2 -0.246 3.715 3.960 0.001 0.000 0.231 392 G HA3 -0.246 3.715 3.960 0.001 0.000 0.231 392 G C 0.955 175.870 174.900 0.025 0.000 1.338 392 G CA 0.774 45.883 45.100 0.016 0.000 0.883 392 G HN 1.908 nan 8.290 nan 0.000 0.570 393 S N -0.827 114.889 115.700 0.027 0.000 2.419 393 S HA -0.052 4.419 4.470 0.001 0.000 0.233 393 S C 1.389 176.024 174.600 0.058 0.000 1.016 393 S CA 2.012 60.233 58.200 0.035 0.000 0.974 393 S CB -0.012 63.206 63.200 0.030 0.000 0.786 393 S HN 0.591 nan 8.310 nan 0.000 0.492 394 D N 1.928 122.372 120.400 0.073 0.000 2.363 394 D HA 0.100 4.741 4.640 0.001 0.000 0.226 394 D C 0.618 177.043 176.300 0.208 0.000 1.020 394 D CA 0.306 54.386 54.000 0.134 0.000 0.892 394 D CB -0.127 40.737 40.800 0.108 0.000 0.900 394 D HN 0.468 nan 8.370 nan 0.000 0.531 395 S N 0.461 116.234 115.700 0.121 0.000 2.537 395 S HA 0.052 4.523 4.470 0.001 0.000 0.286 395 S C 1.523 176.138 174.600 0.026 0.000 1.299 395 S CA -0.501 57.753 58.200 0.090 0.000 1.067 395 S CB 0.513 63.715 63.200 0.004 0.000 0.864 395 S HN 0.113 nan 8.310 nan 0.000 0.494 396 L N 5.249 126.434 121.223 -0.063 0.000 2.156 396 L HA -0.040 4.301 4.340 0.001 0.000 0.208 396 L C 2.181 178.938 176.870 -0.190 0.000 1.095 396 L CA 0.916 55.673 54.840 -0.139 0.000 0.770 396 L CB -0.424 41.478 42.059 -0.261 0.000 0.914 396 L HN 0.734 nan 8.230 nan 0.000 0.439 397 I N -0.305 119.963 120.570 -0.503 0.000 2.179 397 I HA -0.268 3.903 4.170 0.001 0.000 0.242 397 I C 2.525 178.531 176.117 -0.186 0.000 1.088 397 I CA 1.559 62.418 61.300 -0.735 0.000 1.357 397 I CB -0.478 36.993 38.000 -0.882 0.000 1.051 397 I HN 0.240 nan 8.210 nan 0.000 0.409 398 T N 0.034 114.523 114.554 -0.107 0.000 2.684 398 T HA -0.181 4.170 4.350 0.001 0.000 0.267 398 T C 1.891 176.613 174.700 0.037 0.000 1.036 398 T CA 2.067 64.162 62.100 -0.008 0.000 1.148 398 T CB -0.432 68.433 68.868 -0.005 0.000 0.863 398 T HN 0.361 nan 8.240 nan 0.000 0.436 399 T N 1.818 116.394 114.554 0.037 0.000 2.684 399 T HA -0.103 4.248 4.350 0.001 0.000 0.267 399 T C 2.156 176.917 174.700 0.102 0.000 1.036 399 T CA 1.132 63.271 62.100 0.065 0.000 1.148 399 T CB -0.558 68.349 68.868 0.065 0.000 0.863 399 T HN 0.153 nan 8.240 nan 0.000 0.436 400 V N 0.961 120.974 119.914 0.166 0.000 2.307 400 V HA -0.119 4.002 4.120 0.001 0.000 0.245 400 V C 2.660 178.878 176.094 0.206 0.000 1.045 400 V CA 1.200 63.639 62.300 0.232 0.000 1.024 400 V CB -0.614 31.496 31.823 0.480 0.000 0.651 400 V HN 0.305 nan 8.190 nan 0.000 0.449 401 V N 0.778 120.839 119.914 0.245 0.000 2.332 401 V HA -0.251 3.870 4.120 0.001 0.000 0.248 401 V C 2.342 178.503 176.094 0.110 0.000 1.055 401 V CA 2.128 64.577 62.300 0.248 0.000 1.038 401 V CB -0.862 31.128 31.823 0.277 0.000 0.651 401 V HN 0.565 nan 8.190 nan 0.000 0.450 402 N N 0.659 119.404 118.700 0.075 0.000 2.106 402 N HA -0.093 4.647 4.740 0.001 0.000 0.188 402 N C 1.887 177.422 175.510 0.042 0.000 1.029 402 N CA 1.705 54.778 53.050 0.038 0.000 0.848 402 N CB -0.587 37.919 38.487 0.033 0.000 1.007 402 N HN 0.477 nan 8.380 nan 0.000 0.423 403 A N 0.884 123.737 122.820 0.055 0.000 2.019 403 A HA -0.011 4.310 4.320 0.001 0.000 0.219 403 A C 2.205 179.805 177.584 0.027 0.000 1.164 403 A CA 0.791 52.853 52.037 0.043 0.000 0.644 403 A CB -0.586 18.444 19.000 0.050 0.000 0.805 403 A HN 0.235 nan 8.150 nan 0.000 0.449 404 L N -1.812 119.426 121.223 0.024 0.000 2.478 404 L HA 0.116 4.456 4.340 0.001 0.000 0.223 404 L C 1.689 178.604 176.870 0.075 0.000 1.140 404 L CA 0.758 55.585 54.840 -0.022 0.000 0.842 404 L CB -0.083 41.936 42.059 -0.066 0.000 0.953 404 L HN 0.607 nan 8.230 nan 0.000 0.452 405 G N -1.159 107.676 108.800 0.060 0.000 2.198 405 G HA2 0.071 4.031 3.960 0.001 0.000 0.156 405 G HA3 0.071 4.031 3.960 0.001 0.000 0.156 405 G C 0.506 175.404 174.900 -0.003 0.000 1.012 405 G CA -0.326 44.806 45.100 0.052 0.000 0.692 405 G HN 0.715 nan 8.290 nan 0.000 0.492 406 G N -1.322 107.455 108.800 -0.040 0.000 2.756 406 G HA2 0.268 4.229 3.960 0.001 0.000 0.678 406 G HA3 0.268 4.229 3.960 0.001 0.000 0.678 406 G C 1.012 175.675 174.900 -0.394 0.000 1.349 406 G CA 0.880 45.891 45.100 -0.149 0.000 0.847 406 G HN 1.824 nan 8.290 nan 0.000 0.548 407 T N -2.003 112.206 114.554 -0.575 0.000 2.977 407 T HA 0.130 4.481 4.350 0.001 0.000 0.271 407 T C 2.512 176.854 174.700 -0.596 0.000 1.105 407 T CA 1.895 63.339 62.100 -1.094 0.000 1.116 407 T CB -0.335 68.154 68.868 -0.632 0.000 0.878 407 T HN 1.973 nan 8.240 nan 0.000 0.509 408 G N 1.664 110.296 108.800 -0.280 0.000 2.470 408 G HA2 -0.074 3.886 3.960 0.001 0.000 0.220 408 G HA3 -0.074 3.886 3.960 0.001 0.000 0.220 408 G C 1.497 176.375 174.900 -0.036 0.000 1.121 408 G CA 0.956 45.988 45.100 -0.114 0.000 0.766 408 G HN 0.782 nan 8.290 nan 0.000 0.553 409 V N -3.080 116.829 119.914 -0.008 0.000 3.649 409 V HA 0.426 4.547 4.120 0.001 0.000 0.275 409 V C 0.480 176.755 176.094 0.303 0.000 1.281 409 V CA -1.058 61.325 62.300 0.139 0.000 1.143 409 V CB -0.947 31.024 31.823 0.246 0.000 0.892 409 V HN -0.033 nan 8.190 nan 0.000 0.441 410 F N 2.363 122.370 119.950 0.095 0.000 2.506 410 F HA 0.343 4.871 4.527 0.001 0.000 0.351 410 F C 1.014 176.838 175.800 0.039 0.000 1.136 410 F CA -1.304 56.751 58.000 0.091 0.000 1.298 410 F CB 0.359 39.408 39.000 0.082 0.000 1.145 410 F HN 0.327 nan 8.300 nan 0.000 0.593 411 E N 2.702 123.013 120.200 0.185 0.000 2.415 411 E HA -0.029 4.322 4.350 0.001 0.000 0.263 411 E C -0.857 175.805 176.600 0.103 0.000 0.995 411 E CA -0.383 56.068 56.400 0.085 0.000 0.915 411 E CB 0.475 30.200 29.700 0.042 0.000 0.951 411 E HN 0.378 nan 8.360 nan 0.000 0.449 412 Q N 2.407 122.252 119.800 0.076 0.000 2.307 412 Q HA 0.314 4.654 4.340 0.001 0.000 0.262 412 Q C -1.106 174.921 176.000 0.045 0.000 0.961 412 Q CA -0.486 55.356 55.803 0.064 0.000 0.882 412 Q CB 1.841 30.611 28.738 0.053 0.000 1.264 412 Q HN 0.554 nan 8.270 nan 0.000 0.446 413 S N 2.080 117.801 115.700 0.035 0.000 2.584 413 S HA 0.199 4.669 4.470 0.001 0.000 0.282 413 S C -0.629 173.981 174.600 0.016 0.000 1.138 413 S CA -0.930 57.290 58.200 0.034 0.000 0.987 413 S CB 1.120 64.359 63.200 0.065 0.000 1.137 413 S HN 0.376 nan 8.310 nan 0.000 0.457 414 Q N 3.195 123.001 119.800 0.010 0.000 2.315 414 Q HA 0.101 4.441 4.340 0.001 0.000 0.289 414 Q C 0.598 176.602 176.000 0.007 0.000 1.044 414 Q CA 0.491 56.294 55.803 0.001 0.000 0.920 414 Q CB 0.288 29.024 28.738 -0.004 0.000 1.214 414 Q HN 0.907 nan 8.270 nan 0.000 0.392 415 N N 0.936 119.640 118.700 0.006 0.000 2.322 415 N HA 0.098 4.839 4.740 0.001 0.000 0.270 415 N C -0.521 175.026 175.510 0.062 0.000 1.286 415 N CA -0.452 52.623 53.050 0.042 0.000 0.948 415 N CB 0.483 38.986 38.487 0.027 0.000 1.164 415 N HN 0.387 nan 8.380 nan 0.000 0.551 416 E N -0.996 119.295 120.200 0.152 0.000 2.151 416 E HA 0.324 4.675 4.350 0.001 0.000 0.275 416 E C -0.456 176.287 176.600 0.238 0.000 0.936 416 E CA -0.319 56.176 56.400 0.158 0.000 0.777 416 E CB 0.613 30.477 29.700 0.272 0.000 1.108 416 E HN 0.652 nan 8.360 nan 0.000 0.401 417 L N 2.488 123.800 121.223 0.147 0.000 2.609 417 L HA 0.340 4.680 4.340 0.001 0.000 0.230 417 L C 0.167 177.257 176.870 0.367 0.000 1.087 417 L CA -0.115 54.882 54.840 0.262 0.000 0.874 417 L CB 0.433 42.545 42.059 0.089 0.000 1.114 417 L HN 0.499 nan 8.230 nan 0.000 0.488 418 D N -0.340 120.100 120.400 0.066 0.000 2.232 418 D HA 0.205 4.846 4.640 0.001 0.000 0.242 418 D C -1.187 174.935 176.300 -0.297 0.000 1.093 418 D CA -0.051 53.951 54.000 0.003 0.000 0.845 418 D CB 0.634 41.415 40.800 -0.032 0.000 1.124 418 D HN -0.075 nan 8.370 nan 0.000 0.467 419 Y N 4.597 124.969 120.300 0.120 0.000 2.535 419 Y HA 0.247 4.798 4.550 0.001 0.000 0.351 419 Y C -1.611 174.331 175.900 0.070 0.000 1.050 419 Y CA -1.447 56.725 58.100 0.120 0.000 1.168 419 Y CB 1.666 40.158 38.460 0.053 0.000 1.116 419 Y HN 0.398 nan 8.280 nan 0.000 0.654 420 P HA -0.153 nan 4.420 nan 0.000 0.219 420 P C 0.871 178.216 177.300 0.075 0.000 1.146 420 P CA 1.447 64.588 63.100 0.068 0.000 0.808 420 P CB 0.387 32.102 31.700 0.025 0.000 0.779 421 V N -3.253 116.734 119.914 0.122 0.000 3.249 421 V HA 0.277 4.398 4.120 0.001 0.000 0.338 421 V C 0.842 176.978 176.094 0.071 0.000 1.363 421 V CA -0.579 61.780 62.300 0.098 0.000 1.205 421 V CB -0.946 30.960 31.823 0.138 0.000 1.164 421 V HN -0.007 nan 8.190 nan 0.000 0.458 422 S N 1.567 117.310 115.700 0.071 0.000 2.548 422 S HA 0.168 4.639 4.470 0.001 0.000 0.277 422 S C 1.326 175.868 174.600 -0.097 0.000 1.315 422 S CA 0.243 58.446 58.200 0.004 0.000 1.050 422 S CB 1.305 64.526 63.200 0.036 0.000 0.918 422 S HN 0.808 nan 8.310 nan 0.000 0.497 423 Q N 3.329 122.979 119.800 -0.248 0.000 2.436 423 Q HA -0.023 4.318 4.340 0.001 0.000 0.209 423 Q C -0.731 174.997 176.000 -0.453 0.000 0.965 423 Q CA 1.016 56.596 55.803 -0.373 0.000 0.910 423 Q CB -0.287 28.142 28.738 -0.515 0.000 0.980 423 Q HN 0.740 nan 8.270 nan 0.000 0.491 424 Y N 2.095 122.337 120.300 -0.096 0.000 2.383 424 Y HA 0.162 4.713 4.550 0.001 0.000 0.344 424 Y C 0.673 176.498 175.900 -0.126 0.000 0.986 424 Y CA -1.100 56.925 58.100 -0.126 0.000 1.175 424 Y CB 0.977 39.320 38.460 -0.195 0.000 1.152 424 Y HN 0.034 nan 8.280 nan 0.000 0.511 425 D N 1.836 122.256 120.400 0.034 0.000 2.104 425 D HA -0.214 4.427 4.640 0.001 0.000 0.194 425 D C 1.575 177.854 176.300 -0.036 0.000 0.994 425 D CA 1.755 55.754 54.000 -0.003 0.000 0.830 425 D CB 0.026 40.832 40.800 0.010 0.000 0.959 425 D HN 0.665 nan 8.370 nan 0.000 0.452 426 N N 1.695 120.356 118.700 -0.065 0.000 2.120 426 N HA -0.167 4.574 4.740 0.001 0.000 0.188 426 N C 2.087 177.469 175.510 -0.212 0.000 1.024 426 N CA 0.717 53.688 53.050 -0.133 0.000 0.852 426 N CB -1.009 37.359 38.487 -0.199 0.000 1.003 426 N HN 0.271 nan 8.380 nan 0.000 0.424 427 L N 0.175 121.237 121.223 -0.270 0.000 2.109 427 L HA 0.075 4.416 4.340 0.001 0.000 0.207 427 L C 2.918 179.615 176.870 -0.288 0.000 1.086 427 L CA 0.754 55.316 54.840 -0.465 0.000 0.760 427 L CB -0.208 41.557 42.059 -0.488 0.000 0.910 427 L HN 0.107 nan 8.230 nan 0.000 0.437 428 R N 0.080 120.511 120.500 -0.114 0.000 2.096 428 R HA -0.164 4.177 4.340 0.001 0.000 0.235 428 R C 1.380 177.672 176.300 -0.013 0.000 1.127 428 R CA 1.974 58.063 56.100 -0.020 0.000 0.968 428 R CB -0.305 29.994 30.300 -0.002 0.000 0.861 428 R HN 0.546 nan 8.270 nan 0.000 0.440 429 N N -0.819 117.856 118.700 -0.041 0.000 2.449 429 N HA 0.056 4.796 4.740 0.001 0.000 0.191 429 N C 0.292 175.801 175.510 -0.001 0.000 1.161 429 N CA 0.334 53.375 53.050 -0.014 0.000 0.863 429 N CB 0.738 39.216 38.487 -0.016 0.000 0.980 429 N HN 0.426 nan 8.380 nan 0.000 0.458 430 G N 1.395 110.183 108.800 -0.019 0.000 2.136 430 G HA2 -0.329 3.632 3.960 0.001 0.000 0.242 430 G HA3 -0.329 3.632 3.960 0.001 0.000 0.242 430 G C 0.291 175.262 174.900 0.119 0.000 0.989 430 G CA 0.098 45.260 45.100 0.102 0.000 0.682 430 G HN 0.309 nan 8.290 nan 0.000 0.522 431 M N -0.615 118.944 119.600 -0.069 0.000 3.299 431 M HA -0.134 4.347 4.480 0.001 0.000 0.169 431 M C 0.459 176.770 176.300 0.018 0.000 1.347 431 M CA 0.429 55.701 55.300 -0.047 0.000 0.856 431 M CB -0.926 31.691 32.600 0.029 0.000 1.266 431 M HN 0.540 nan 8.290 nan 0.000 0.639 432 Q N 1.337 121.136 119.800 -0.001 0.000 2.317 432 Q HA 0.916 5.257 4.340 0.001 0.000 0.229 432 Q C 0.850 176.849 176.000 -0.002 0.000 0.984 432 Q CA 0.779 56.586 55.803 0.007 0.000 0.911 432 Q CB 0.795 29.537 28.738 0.007 0.000 1.217 432 Q HN 0.808 nan 8.270 nan 0.000 0.501 433 T N 0.000 114.553 114.554 -0.002 0.000 3.816 433 T HA 0.000 4.351 4.350 0.001 0.000 0.228 433 T CA 0.000 nan 62.100 nan 0.000 1.349 433 T CB 0.000 nan 68.868 nan 0.000 0.612 433 T HN 0.000 nan 8.240 nan 0.000 0.658