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 2b1x_1_E DATA FIRST_RESID 1 DATA SEQUENCE MLSNELRQTL QKGLHDVNSD WTVPAAIIND PEVHDVERER IFGHAWVFLA DATA SEQUENCE HESEIPERGD YVVRYISEDQ FIVCRDEGGE IRGHLNACRH RGMQVCRAEM DATA SEQUENCE GNTSHFRCPY HGWTYSNTGS LVGVPAGKDA YGNQLKKSDW NLRPMPNLAS DATA SEQUENCE YKGLIFGSLD PHADSLEDYL GDLKFYLDIV LDRSDAGLQV VGAPQRWVID DATA SEQUENCE ANWKLGADNF VGDAYHTMMT HRSMVELGLA PPDPQFALYG EHIHTGHGHG DATA SEQUENCE LGIIGPPPGM PLPEFMGLPE NIVEELERRL TPEQVEIFRP TAFIHGTVFP DATA SEQUENCE NLSIGNFLMG KDHLSAPTAF LTLRLWHPLG PDKMEVMSFF LVEKDAPDWF DATA SEQUENCE KDESYKSYLR TFGISGGFEQ DDAENWRSIT RVMGGQFAKT GELNYQMGRG DATA SEQUENCE VLEPDPNWTG PGEAYPLDYA EANQRNFLEY WMQLMLAESP L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 L N 2.773 123.994 121.223 -0.002 0.000 2.426 2 L HA 0.455 4.795 4.340 0.001 0.000 0.271 2 L C 0.860 177.736 176.870 0.011 0.000 1.169 2 L CA -0.504 54.338 54.840 0.002 0.000 0.836 2 L CB 1.281 43.334 42.059 -0.009 0.000 1.112 2 L HN 0.994 nan 8.230 nan 0.000 0.465 3 S N 1.561 117.273 115.700 0.020 0.000 2.576 3 S HA 0.030 4.500 4.470 0.001 0.000 0.272 3 S C 0.956 175.567 174.600 0.019 0.000 1.352 3 S CA -0.614 57.599 58.200 0.022 0.000 1.021 3 S CB 0.650 63.868 63.200 0.031 0.000 0.887 3 S HN 0.619 nan 8.310 nan 0.000 0.542 4 N N 1.808 120.518 118.700 0.018 0.000 2.120 4 N HA -0.119 4.621 4.740 0.001 0.000 0.188 4 N C 1.530 177.052 175.510 0.020 0.000 1.024 4 N CA 1.676 54.735 53.050 0.015 0.000 0.852 4 N CB -0.680 37.816 38.487 0.014 0.000 1.003 4 N HN 0.727 nan 8.380 nan 0.000 0.424 5 E N 0.920 121.136 120.200 0.026 0.000 2.058 5 E HA -0.133 4.217 4.350 0.001 0.000 0.194 5 E C 1.911 178.533 176.600 0.038 0.000 0.997 5 E CA 0.509 56.928 56.400 0.032 0.000 0.801 5 E CB -0.458 29.263 29.700 0.036 0.000 0.746 5 E HN 0.171 nan 8.360 nan 0.000 0.450 6 L N 0.858 122.105 121.223 0.041 0.000 2.056 6 L HA -0.091 4.249 4.340 0.001 0.000 0.207 6 L C 2.256 179.147 176.870 0.036 0.000 1.078 6 L CA 1.811 56.680 54.840 0.049 0.000 0.749 6 L CB -0.464 41.626 42.059 0.052 0.000 0.901 6 L HN -0.011 nan 8.230 nan 0.000 0.433 7 R N -0.816 119.696 120.500 0.019 0.000 2.080 7 R HA -0.227 4.113 4.340 0.001 0.000 0.236 7 R C 2.331 178.640 176.300 0.015 0.000 1.137 7 R CA 2.205 58.309 56.100 0.006 0.000 0.943 7 R CB -0.295 30.005 30.300 -0.001 0.000 0.846 7 R HN 0.538 nan 8.270 nan 0.000 0.431 8 Q N -0.857 118.955 119.800 0.020 0.000 2.084 8 Q HA -0.135 4.205 4.340 0.001 0.000 0.202 8 Q C 2.051 178.072 176.000 0.036 0.000 0.978 8 Q CA 2.206 58.022 55.803 0.023 0.000 0.844 8 Q CB -0.000 28.750 28.738 0.021 0.000 0.898 8 Q HN 0.397 nan 8.270 nan 0.000 0.426 9 T N 1.179 115.761 114.554 0.046 0.000 2.684 9 T HA -0.142 4.209 4.350 0.001 0.000 0.267 9 T C 1.787 176.534 174.700 0.078 0.000 1.036 9 T CA 1.063 63.201 62.100 0.063 0.000 1.148 9 T CB -0.203 68.708 68.868 0.072 0.000 0.863 9 T HN 0.183 nan 8.240 nan 0.000 0.436 10 L N 0.489 121.755 121.223 0.072 0.000 2.093 10 L HA -0.100 4.241 4.340 0.001 0.000 0.208 10 L C 2.869 179.774 176.870 0.058 0.000 1.085 10 L CA 1.290 56.175 54.840 0.076 0.000 0.755 10 L CB -0.536 41.539 42.059 0.026 0.000 0.904 10 L HN 0.279 nan 8.230 nan 0.000 0.435 11 Q N -0.152 119.672 119.800 0.040 0.000 2.079 11 Q HA -0.229 4.112 4.340 0.001 0.000 0.200 11 Q C 2.260 178.299 176.000 0.066 0.000 0.974 11 Q CA 1.363 57.188 55.803 0.037 0.000 0.840 11 Q CB -0.062 28.687 28.738 0.018 0.000 0.898 11 Q HN 0.328 nan 8.270 nan 0.000 0.430 12 K N 0.107 120.549 120.400 0.070 0.000 2.057 12 K HA -0.127 4.193 4.320 0.001 0.000 0.206 12 K C 2.021 178.700 176.600 0.132 0.000 1.050 12 K CA 1.309 57.655 56.287 0.099 0.000 0.935 12 K CB -0.254 32.292 32.500 0.076 0.000 0.715 12 K HN 0.277 nan 8.250 nan 0.000 0.439 13 G N 1.486 110.350 108.800 0.107 0.000 2.418 13 G HA2 -0.230 3.730 3.960 0.001 0.000 0.217 13 G HA3 -0.230 3.730 3.960 0.001 0.000 0.217 13 G C 1.373 176.327 174.900 0.089 0.000 1.158 13 G CA 0.371 45.534 45.100 0.105 0.000 0.771 13 G HN 0.215 nan 8.290 nan 0.000 0.545 14 L N 0.489 121.764 121.223 0.087 0.000 2.127 14 L HA -0.035 4.305 4.340 0.001 0.000 0.211 14 L C 2.419 179.336 176.870 0.077 0.000 1.089 14 L CA 2.200 57.077 54.840 0.062 0.000 0.757 14 L CB -0.912 41.174 42.059 0.045 0.000 0.899 14 L HN 0.530 nan 8.230 nan 0.000 0.434 15 H N -1.202 117.884 119.070 0.028 0.000 2.343 15 H HA -0.087 4.469 4.556 0.001 0.000 0.303 15 H C 1.762 177.123 175.328 0.055 0.000 1.068 15 H CA 1.786 57.855 56.048 0.035 0.000 1.359 15 H CB 0.068 29.849 29.762 0.033 0.000 1.402 15 H HN 0.273 nan 8.280 nan 0.000 0.515 16 D N 0.119 120.504 120.400 -0.024 0.000 2.178 16 D HA -0.157 4.484 4.640 0.001 0.000 0.201 16 D C 2.344 178.631 176.300 -0.023 0.000 0.980 16 D CA 1.077 55.050 54.000 -0.045 0.000 0.842 16 D CB -0.551 40.295 40.800 0.077 0.000 0.948 16 D HN 0.322 nan 8.370 nan 0.000 0.472 17 V N 1.306 121.205 119.914 -0.026 0.000 2.469 17 V HA -0.191 3.929 4.120 0.001 0.000 0.251 17 V C 1.091 177.102 176.094 -0.138 0.000 1.064 17 V CA 1.666 63.928 62.300 -0.062 0.000 1.066 17 V CB -0.145 31.622 31.823 -0.094 0.000 0.667 17 V HN 0.162 nan 8.190 nan 0.000 0.461 18 N N -0.814 117.823 118.700 -0.105 0.000 2.205 18 N HA 0.091 4.832 4.740 0.001 0.000 0.201 18 N C 1.444 177.049 175.510 0.159 0.000 1.128 18 N CA 0.897 53.906 53.050 -0.068 0.000 0.867 18 N CB 0.864 39.305 38.487 -0.077 0.000 0.996 18 N HN 0.697 nan 8.380 nan 0.000 0.503 19 S N 0.308 116.044 115.700 0.061 0.000 2.783 19 S HA 0.112 4.583 4.470 0.001 0.000 0.205 19 S C 1.197 175.873 174.600 0.126 0.000 0.910 19 S CA 0.260 58.483 58.200 0.038 0.000 0.861 19 S CB -0.168 62.876 63.200 -0.259 0.000 0.830 19 S HN -0.156 nan 8.310 nan 0.000 0.630 20 D N 0.080 120.524 120.400 0.073 0.000 2.264 20 D HA -0.007 4.633 4.640 0.001 0.000 0.208 20 D C -0.431 176.007 176.300 0.231 0.000 0.966 20 D CA 0.654 54.704 54.000 0.083 0.000 0.864 20 D CB -0.403 40.439 40.800 0.070 0.000 0.933 20 D HN 0.523 nan 8.370 nan 0.000 0.499 21 W N 0.674 121.953 121.300 -0.035 0.000 4.949 21 W HA -0.213 4.447 4.660 0.001 0.000 0.380 21 W C 0.332 176.896 176.519 0.075 0.000 1.446 21 W CA 0.385 57.734 57.345 0.006 0.000 0.869 21 W CB -2.897 26.564 29.460 0.000 0.000 2.591 21 W HN -0.016 nan 8.180 nan 0.000 1.398 22 T N -3.357 111.341 114.554 0.241 0.000 2.907 22 T HA 0.911 5.261 4.350 0.001 0.000 0.290 22 T C -0.484 174.330 174.700 0.190 0.000 1.066 22 T CA -0.898 61.333 62.100 0.219 0.000 1.012 22 T CB 3.118 72.062 68.868 0.128 0.000 1.184 22 T HN 0.042 nan 8.240 nan 0.000 0.522 23 V N 1.556 121.596 119.914 0.209 0.000 2.808 23 V HA 0.498 4.619 4.120 0.001 0.000 0.308 23 V C -2.715 173.443 176.094 0.107 0.000 1.099 23 V CA -2.262 60.129 62.300 0.152 0.000 0.920 23 V CB 2.149 34.078 31.823 0.176 0.000 1.014 23 V HN 0.816 nan 8.190 nan 0.000 0.425 24 P HA 0.099 nan 4.420 nan 0.000 0.264 24 P C 0.496 177.812 177.300 0.027 0.000 1.193 24 P CA 0.206 63.337 63.100 0.051 0.000 0.763 24 P CB 0.779 32.520 31.700 0.068 0.000 0.810 25 A N 4.373 127.191 122.820 -0.003 0.000 2.121 25 A HA -0.065 4.256 4.320 0.001 0.000 0.218 25 A C 2.019 179.592 177.584 -0.019 0.000 1.154 25 A CA 1.561 53.582 52.037 -0.027 0.000 0.679 25 A CB -1.220 17.748 19.000 -0.053 0.000 0.795 25 A HN 0.541 nan 8.150 nan 0.000 0.458 26 A N 0.597 123.420 122.820 0.007 0.000 2.178 26 A HA -0.036 4.284 4.320 0.001 0.000 0.218 26 A C 1.912 179.526 177.584 0.050 0.000 1.157 26 A CA 1.214 53.270 52.037 0.031 0.000 0.689 26 A CB -0.852 18.179 19.000 0.052 0.000 0.787 26 A HN 1.019 nan 8.150 nan 0.000 0.465 27 I N -4.006 116.575 120.570 0.019 0.000 3.111 27 I HA 0.031 4.202 4.170 0.001 0.000 0.272 27 I C 1.714 177.770 176.117 -0.102 0.000 1.268 27 I CA 0.719 62.011 61.300 -0.014 0.000 1.467 27 I CB -0.156 37.721 38.000 -0.204 0.000 1.087 27 I HN 0.187 nan 8.210 nan 0.000 0.467 28 I N 1.201 121.716 120.570 -0.090 0.000 2.339 28 I HA -0.040 4.130 4.170 0.001 0.000 0.245 28 I C 0.653 176.742 176.117 -0.046 0.000 1.096 28 I CA 0.908 62.134 61.300 -0.123 0.000 1.408 28 I CB -0.041 37.892 38.000 -0.112 0.000 1.092 28 I HN 0.319 nan 8.210 nan 0.000 0.423 29 N N 0.955 119.657 118.700 0.004 0.000 2.640 29 N HA 0.223 4.963 4.740 0.001 0.000 0.262 29 N C -1.821 173.724 175.510 0.057 0.000 1.174 29 N CA -0.280 52.789 53.050 0.032 0.000 0.791 29 N CB 0.761 39.257 38.487 0.014 0.000 1.279 29 N HN 0.088 nan 8.380 nan 0.000 0.535 30 D N 2.447 122.906 120.400 0.098 0.000 2.977 30 D HA 0.421 5.061 4.640 0.001 0.000 0.220 30 D C -1.957 174.430 176.300 0.144 0.000 1.267 30 D CA -1.539 52.525 54.000 0.107 0.000 0.884 30 D CB 2.208 43.077 40.800 0.114 0.000 1.667 30 D HN 0.116 nan 8.370 nan 0.000 0.536 31 P HA -0.128 nan 4.420 nan 0.000 0.217 31 P C 0.969 178.366 177.300 0.162 0.000 1.150 31 P CA 0.857 64.035 63.100 0.130 0.000 0.832 31 P CB 0.304 32.055 31.700 0.085 0.000 0.787 32 E N -0.201 120.080 120.200 0.134 0.000 2.072 32 E HA -0.108 4.243 4.350 0.001 0.000 0.190 32 E C 1.923 178.616 176.600 0.155 0.000 0.982 32 E CA 0.850 57.325 56.400 0.125 0.000 0.803 32 E CB -0.289 29.467 29.700 0.093 0.000 0.755 32 E HN -0.111 nan 8.360 nan 0.000 0.453 33 V N 0.786 120.814 119.914 0.190 0.000 2.231 33 V HA -0.323 3.797 4.120 0.001 0.000 0.250 33 V C 2.341 178.616 176.094 0.301 0.000 1.058 33 V CA 2.506 64.960 62.300 0.257 0.000 1.022 33 V CB -0.849 31.160 31.823 0.309 0.000 0.640 33 V HN 0.447 nan 8.190 nan 0.000 0.445 34 H N 0.015 119.224 119.070 0.232 0.000 2.352 34 H HA -0.177 4.380 4.556 0.001 0.000 0.299 34 H C 2.090 177.542 175.328 0.207 0.000 1.097 34 H CA 2.192 58.393 56.048 0.254 0.000 1.311 34 H CB -0.131 29.747 29.762 0.194 0.000 1.377 34 H HN 0.438 nan 8.280 nan 0.000 0.504 35 D N -0.835 119.687 120.400 0.204 0.000 2.123 35 D HA -0.104 4.536 4.640 0.001 0.000 0.200 35 D C 2.426 178.771 176.300 0.075 0.000 0.976 35 D CA 1.052 55.128 54.000 0.128 0.000 0.831 35 D CB -0.246 40.630 40.800 0.126 0.000 0.974 35 D HN 0.251 nan 8.370 nan 0.000 0.469 36 V N 1.128 121.087 119.914 0.076 0.000 2.307 36 V HA -0.197 3.923 4.120 0.001 0.000 0.245 36 V C 2.460 178.562 176.094 0.013 0.000 1.045 36 V CA 1.625 63.944 62.300 0.032 0.000 1.024 36 V CB -0.421 31.407 31.823 0.009 0.000 0.651 36 V HN 0.222 nan 8.190 nan 0.000 0.449 37 E N 0.501 120.731 120.200 0.051 0.000 2.097 37 E HA -0.322 4.028 4.350 0.001 0.000 0.196 37 E C 2.429 179.116 176.600 0.144 0.000 1.000 37 E CA 1.817 58.274 56.400 0.094 0.000 0.804 37 E CB -0.176 29.724 29.700 0.334 0.000 0.740 37 E HN 0.491 nan 8.360 nan 0.000 0.454 38 R N 0.643 121.201 120.500 0.097 0.000 2.113 38 R HA -0.241 4.099 4.340 0.001 0.000 0.244 38 R C 2.362 178.744 176.300 0.137 0.000 1.142 38 R CA 2.179 58.352 56.100 0.122 0.000 0.953 38 R CB -0.266 30.035 30.300 0.001 0.000 0.860 38 R HN 0.286 nan 8.270 nan 0.000 0.438 39 E N -0.182 120.069 120.200 0.084 0.000 2.033 39 E HA -0.135 4.215 4.350 0.001 0.000 0.189 39 E C 2.076 178.760 176.600 0.141 0.000 0.979 39 E CA 0.591 57.042 56.400 0.085 0.000 0.802 39 E CB 0.106 29.845 29.700 0.066 0.000 0.763 39 E HN 0.335 nan 8.360 nan 0.000 0.449 40 R N -0.320 120.218 120.500 0.064 0.000 2.153 40 R HA -0.015 4.325 4.340 0.001 0.000 0.218 40 R C 2.040 178.315 176.300 -0.042 0.000 1.072 40 R CA 0.673 56.770 56.100 -0.006 0.000 0.990 40 R CB 0.052 30.254 30.300 -0.163 0.000 0.889 40 R HN 0.236 nan 8.270 nan 0.000 0.452 41 I N -1.077 119.446 120.570 -0.079 0.000 2.726 41 I HA -0.051 4.120 4.170 0.001 0.000 0.243 41 I C 1.460 177.452 176.117 -0.208 0.000 1.082 41 I CA 0.987 62.172 61.300 -0.192 0.000 1.447 41 I CB -0.108 37.682 38.000 -0.350 0.000 1.250 41 I HN -0.102 nan 8.210 nan 0.000 0.453 42 F N 0.355 120.314 119.950 0.015 0.000 2.661 42 F HA 0.088 4.616 4.527 0.001 0.000 0.298 42 F C 2.252 178.021 175.800 -0.050 0.000 1.137 42 F CA 0.754 58.734 58.000 -0.033 0.000 1.454 42 F CB -0.575 38.370 39.000 -0.092 0.000 1.103 42 F HN 0.079 nan 8.300 nan 0.000 0.577 43 G N -2.020 106.824 108.800 0.075 0.000 2.985 43 G HA2 -0.037 3.923 3.960 0.001 0.000 0.209 43 G HA3 -0.037 3.923 3.960 0.001 0.000 0.209 43 G C 0.784 175.457 174.900 -0.379 0.000 1.165 43 G CA 0.401 45.431 45.100 -0.116 0.000 0.776 43 G HN 0.402 nan 8.290 nan 0.000 0.541 44 H N -1.021 117.993 119.070 -0.094 0.000 2.916 44 H HA 0.477 5.033 4.556 0.001 0.000 0.229 44 H C 1.632 176.847 175.328 -0.188 0.000 0.917 44 H CA 0.150 56.117 56.048 -0.135 0.000 1.048 44 H CB 0.503 30.212 29.762 -0.088 0.000 1.417 44 H HN 0.311 nan 8.280 nan 0.000 0.445 45 A N 0.312 123.141 122.820 0.015 0.000 2.327 45 A HA 0.255 4.576 4.320 0.001 0.000 0.255 45 A C -0.919 176.545 177.584 -0.200 0.000 1.099 45 A CA -0.293 51.762 52.037 0.030 0.000 0.801 45 A CB 0.073 19.269 19.000 0.327 0.000 1.062 45 A HN 0.377 nan 8.150 nan 0.000 0.496 46 W N 0.100 121.160 121.300 -0.400 0.000 2.338 46 W HA 0.497 5.158 4.660 0.001 0.000 0.307 46 W C -0.530 176.127 176.519 0.231 0.000 1.167 46 W CA -0.062 57.146 57.345 -0.228 0.000 1.208 46 W CB 1.375 30.467 29.460 -0.612 0.000 1.228 46 W HN 0.359 nan 8.180 nan 0.000 0.499 47 V N 5.499 125.725 119.914 0.519 0.000 2.495 47 V HA 0.275 4.395 4.120 0.001 0.000 0.298 47 V C -0.352 175.945 176.094 0.339 0.000 1.031 47 V CA -1.326 61.243 62.300 0.449 0.000 0.871 47 V CB 1.194 33.182 31.823 0.275 0.000 0.988 47 V HN 0.281 nan 8.190 nan 0.000 0.432 48 F N 4.578 124.509 119.950 -0.031 0.000 2.529 48 F HA 0.331 4.858 4.527 0.001 0.000 0.365 48 F C 0.680 176.327 175.800 -0.256 0.000 1.102 48 F CA 0.220 57.876 58.000 -0.574 0.000 1.271 48 F CB 0.566 39.190 39.000 -0.627 0.000 1.120 48 F HN 0.420 nan 8.300 nan 0.000 0.579 49 L N 4.285 124.812 121.223 -1.161 0.000 2.515 49 L HA 0.557 4.897 4.340 0.001 0.000 0.202 49 L C 0.407 176.676 176.870 -1.002 0.000 1.056 49 L CA 0.325 54.693 54.840 -0.787 0.000 0.847 49 L CB -0.325 41.458 42.059 -0.460 0.000 1.131 49 L HN 0.710 nan 8.230 nan 0.000 0.484 50 A N -1.813 120.191 122.820 -1.358 0.000 2.601 50 A HA 0.459 4.779 4.320 0.001 0.000 0.291 50 A C -1.796 175.513 177.584 -0.458 0.000 1.075 50 A CA -0.509 51.087 52.037 -0.735 0.000 0.671 50 A CB 0.881 19.708 19.000 -0.287 0.000 1.277 50 A HN 0.130 nan 8.150 nan 0.000 0.417 51 H N 0.525 119.488 119.070 -0.177 0.000 2.473 51 H HA 0.310 4.867 4.556 0.001 0.000 0.327 51 H C 0.644 175.934 175.328 -0.063 0.000 1.105 51 H CA 0.118 56.136 56.048 -0.050 0.000 1.280 51 H CB 1.524 31.258 29.762 -0.046 0.000 1.450 51 H HN 0.858 nan 8.280 nan 0.000 0.492 52 E N 1.739 121.717 120.200 -0.369 0.000 2.171 52 E HA -0.189 4.161 4.350 0.001 0.000 0.197 52 E C 1.830 178.414 176.600 -0.028 0.000 0.997 52 E CA 1.570 57.855 56.400 -0.192 0.000 0.810 52 E CB 0.213 29.765 29.700 -0.248 0.000 0.738 52 E HN 0.650 nan 8.360 nan 0.000 0.467 53 S N 0.610 116.399 115.700 0.149 0.000 2.500 53 S HA -0.147 4.323 4.470 0.001 0.000 0.239 53 S C 1.505 176.171 174.600 0.110 0.000 0.989 53 S CA 0.831 59.135 58.200 0.174 0.000 0.951 53 S CB -0.150 63.197 63.200 0.244 0.000 0.759 53 S HN 0.269 nan 8.310 nan 0.000 0.523 54 E N 1.030 121.297 120.200 0.111 0.000 2.299 54 E HA 0.122 4.472 4.350 0.001 0.000 0.193 54 E C 0.872 177.491 176.600 0.031 0.000 0.998 54 E CA 0.832 57.278 56.400 0.076 0.000 0.851 54 E CB -0.105 29.656 29.700 0.102 0.000 0.795 54 E HN 0.887 nan 8.360 nan 0.000 0.492 55 I N -2.323 118.259 120.570 0.019 0.000 2.976 55 I HA 0.275 4.445 4.170 0.001 0.000 0.328 55 I C -2.249 173.872 176.117 0.005 0.000 1.396 55 I CA -1.839 59.466 61.300 0.008 0.000 0.869 55 I CB 0.970 38.980 38.000 0.017 0.000 2.156 55 I HN -0.228 nan 8.210 nan 0.000 0.595 56 P HA -0.014 nan 4.420 nan 0.000 0.222 56 P C 0.213 177.514 177.300 0.001 0.000 1.153 56 P CA 1.331 64.432 63.100 0.002 0.000 0.798 56 P CB 0.351 32.054 31.700 0.005 0.000 0.796 57 E N 0.402 120.604 120.200 0.004 0.000 2.222 57 E HA 0.277 4.627 4.350 0.001 0.000 0.272 57 E C 0.203 176.812 176.600 0.016 0.000 0.982 57 E CA -0.941 55.463 56.400 0.007 0.000 0.842 57 E CB 1.283 30.986 29.700 0.005 0.000 1.144 57 E HN 0.085 nan 8.360 nan 0.000 0.397 58 R N 0.058 120.567 120.500 0.015 0.000 2.538 58 R HA 0.195 4.535 4.340 0.001 0.000 0.282 58 R C 1.038 177.357 176.300 0.031 0.000 1.009 58 R CA 1.177 57.290 56.100 0.021 0.000 1.063 58 R CB -0.039 30.268 30.300 0.012 0.000 0.945 58 R HN 0.904 nan 8.270 nan 0.000 0.414 59 G N 2.225 111.056 108.800 0.052 0.000 2.234 59 G HA2 -0.227 3.733 3.960 0.001 0.000 0.235 59 G HA3 -0.227 3.733 3.960 0.001 0.000 0.235 59 G C -0.209 174.779 174.900 0.148 0.000 0.997 59 G CA -0.143 45.000 45.100 0.073 0.000 0.623 59 G HN 0.596 nan 8.290 nan 0.000 0.514 60 D N 0.663 121.122 120.400 0.099 0.000 2.389 60 D HA 0.558 5.198 4.640 0.001 0.000 0.247 60 D C 0.333 176.733 176.300 0.166 0.000 1.128 60 D CA 0.734 54.769 54.000 0.059 0.000 0.884 60 D CB 0.549 41.353 40.800 0.008 0.000 1.194 60 D HN 0.655 nan 8.370 nan 0.000 0.441 61 Y N -0.893 119.469 120.300 0.103 0.000 2.588 61 Y HA 0.631 5.182 4.550 0.001 0.000 0.343 61 Y C -1.096 174.853 175.900 0.081 0.000 1.065 61 Y CA -1.332 56.839 58.100 0.118 0.000 1.038 61 Y CB 0.809 39.415 38.460 0.244 0.000 1.297 61 Y HN 0.172 nan 8.280 nan 0.000 0.467 62 V N -0.503 119.537 119.914 0.210 0.000 3.040 62 V HA 0.869 4.990 4.120 0.001 0.000 0.312 62 V C -1.346 174.854 176.094 0.176 0.000 1.115 62 V CA -1.217 61.167 62.300 0.140 0.000 0.998 62 V CB 1.462 33.323 31.823 0.062 0.000 1.042 62 V HN 0.798 nan 8.190 nan 0.000 0.433 63 V N 4.049 124.032 119.914 0.116 0.000 2.370 63 V HA 0.717 4.838 4.120 0.001 0.000 0.283 63 V C 0.088 176.108 176.094 -0.124 0.000 1.023 63 V CA -0.404 61.884 62.300 -0.019 0.000 0.857 63 V CB 1.060 32.867 31.823 -0.027 0.000 0.985 63 V HN 0.982 nan 8.190 nan 0.000 0.443 64 R N 3.037 123.398 120.500 -0.232 0.000 2.987 64 R HA 0.668 5.008 4.340 0.001 0.000 0.248 64 R C -1.683 174.351 176.300 -0.443 0.000 1.264 64 R CA -0.850 55.117 56.100 -0.222 0.000 1.026 64 R CB 1.986 32.233 30.300 -0.089 0.000 1.286 64 R HN 0.555 nan 8.270 nan 0.000 0.483 65 Y N -0.438 119.853 120.300 -0.015 0.000 2.524 65 Y HA 0.538 5.089 4.550 0.001 0.000 0.347 65 Y C -0.008 175.970 175.900 0.130 0.000 1.005 65 Y CA -0.720 57.419 58.100 0.064 0.000 1.025 65 Y CB 2.069 40.433 38.460 -0.160 0.000 1.275 65 Y HN 0.258 nan 8.280 nan 0.000 0.460 66 I N 2.385 123.186 120.570 0.386 0.000 2.382 66 I HA 0.279 4.449 4.170 0.001 0.000 0.285 66 I C 0.222 176.481 176.117 0.237 0.000 1.007 66 I CA -0.242 61.218 61.300 0.266 0.000 1.142 66 I CB 1.139 39.245 38.000 0.176 0.000 1.289 66 I HN 0.863 nan 8.210 nan 0.000 0.453 67 S N 4.519 120.261 115.700 0.070 0.000 4.108 67 S HA -0.335 4.136 4.470 0.001 0.000 0.550 67 S C 1.302 176.009 174.600 0.178 0.000 1.916 67 S CA 1.708 59.852 58.200 -0.094 0.000 4.207 67 S CB -0.524 62.547 63.200 -0.214 0.000 0.522 67 S HN 0.823 nan 8.310 nan 0.000 0.534 68 E N 2.309 122.572 120.200 0.105 0.000 2.418 68 E HA 0.116 4.466 4.350 0.001 0.000 0.197 68 E C -0.019 176.696 176.600 0.191 0.000 1.026 68 E CA 0.486 56.977 56.400 0.152 0.000 0.862 68 E CB -0.077 29.669 29.700 0.077 0.000 0.799 68 E HN 0.371 nan 8.360 nan 0.000 0.518 69 D N 1.376 121.880 120.400 0.172 0.000 2.351 69 D HA 0.034 4.675 4.640 0.001 0.000 0.251 69 D C -0.317 175.960 176.300 -0.038 0.000 1.137 69 D CA 0.171 54.186 54.000 0.024 0.000 0.879 69 D CB 0.908 41.748 40.800 0.067 0.000 1.181 69 D HN 0.034 nan 8.370 nan 0.000 0.448 70 Q N 2.378 121.959 119.800 -0.365 0.000 2.293 70 Q HA 0.408 4.748 4.340 0.001 0.000 0.261 70 Q C -1.520 174.056 176.000 -0.706 0.000 0.960 70 Q CA -0.612 54.881 55.803 -0.517 0.000 0.882 70 Q CB 0.852 29.355 28.738 -0.393 0.000 1.275 70 Q HN 0.274 nan 8.270 nan 0.000 0.445 71 F N 3.030 122.772 119.950 -0.346 0.000 2.540 71 F HA 0.481 5.008 4.527 0.001 0.000 0.317 71 F C -0.151 175.497 175.800 -0.252 0.000 1.104 71 F CA -0.810 57.040 58.000 -0.250 0.000 0.913 71 F CB 1.425 40.303 39.000 -0.204 0.000 1.170 71 F HN 0.410 nan 8.300 nan 0.000 0.450 72 I N 3.731 124.265 120.570 -0.060 0.000 2.396 72 I HA 0.253 4.423 4.170 0.001 0.000 0.289 72 I C -0.681 175.416 176.117 -0.033 0.000 1.056 72 I CA -0.466 60.776 61.300 -0.097 0.000 1.365 72 I CB 0.692 38.513 38.000 -0.299 0.000 1.407 72 I HN 0.185 nan 8.210 nan 0.000 0.509 73 V N 6.847 126.766 119.914 0.009 0.000 2.357 73 V HA 0.399 4.520 4.120 0.001 0.000 0.284 73 V C -0.023 176.107 176.094 0.061 0.000 1.018 73 V CA -0.417 61.865 62.300 -0.029 0.000 0.841 73 V CB 1.018 32.795 31.823 -0.076 0.000 0.991 73 V HN 1.002 nan 8.190 nan 0.000 0.437 74 C N 3.439 122.765 119.300 0.043 0.000 3.171 74 C HA 0.822 5.282 4.460 0.001 0.000 0.308 74 C C -0.501 174.534 174.990 0.076 0.000 1.334 74 C CA -1.244 57.863 59.018 0.147 0.000 1.473 74 C CB 1.930 29.863 27.740 0.322 0.000 1.866 74 C HN 0.892 nan 8.230 nan 0.000 0.465 75 R N 1.537 122.091 120.500 0.091 0.000 2.229 75 R HA 0.496 4.837 4.340 0.001 0.000 0.332 75 R C -0.182 176.164 176.300 0.076 0.000 0.989 75 R CA 0.013 56.146 56.100 0.054 0.000 0.842 75 R CB 0.656 30.975 30.300 0.032 0.000 1.119 75 R HN 0.963 nan 8.270 nan 0.000 0.456 76 D N 2.380 122.820 120.400 0.067 0.000 2.447 76 D HA -0.015 4.625 4.640 0.001 0.000 0.265 76 D C 0.418 176.737 176.300 0.030 0.000 1.250 76 D CA -0.257 53.785 54.000 0.071 0.000 1.046 76 D CB 0.639 41.495 40.800 0.093 0.000 1.095 76 D HN 0.372 nan 8.370 nan 0.000 0.555 77 E N -0.723 119.481 120.200 0.007 0.000 2.418 77 E HA 0.002 4.352 4.350 0.001 0.000 0.197 77 E C 1.652 178.253 176.600 0.002 0.000 1.026 77 E CA 0.837 57.234 56.400 -0.006 0.000 0.862 77 E CB -0.199 29.483 29.700 -0.031 0.000 0.799 77 E HN 0.713 nan 8.360 nan 0.000 0.518 78 G N -0.099 108.706 108.800 0.008 0.000 3.042 78 G HA2 0.212 4.172 3.960 0.001 0.000 0.212 78 G HA3 0.212 4.172 3.960 0.001 0.000 0.212 78 G C 1.068 175.971 174.900 0.006 0.000 1.166 78 G CA 0.232 45.336 45.100 0.007 0.000 0.767 78 G HN 0.328 nan 8.290 nan 0.000 0.546 79 G N -0.228 108.577 108.800 0.008 0.000 2.143 79 G HA2 -0.258 3.703 3.960 0.001 0.000 0.249 79 G HA3 -0.258 3.703 3.960 0.001 0.000 0.249 79 G C 0.061 174.962 174.900 0.001 0.000 0.981 79 G CA 0.384 45.486 45.100 0.004 0.000 0.665 79 G HN 0.667 nan 8.290 nan 0.000 0.528 80 E N 0.272 120.476 120.200 0.007 0.000 2.266 80 E HA 0.515 4.865 4.350 0.001 0.000 0.277 80 E C 0.472 177.070 176.600 -0.003 0.000 1.018 80 E CA -1.070 55.331 56.400 0.001 0.000 0.840 80 E CB 0.421 30.126 29.700 0.008 0.000 1.082 80 E HN 0.094 nan 8.360 nan 0.000 0.395 81 I N 4.686 125.243 120.570 -0.021 0.000 2.416 81 I HA 0.204 4.375 4.170 0.001 0.000 0.288 81 I C 0.433 176.511 176.117 -0.065 0.000 1.051 81 I CA -0.001 61.275 61.300 -0.039 0.000 1.375 81 I CB 0.275 38.244 38.000 -0.052 0.000 1.407 81 I HN 0.480 nan 8.210 nan 0.000 0.516 82 R N 4.136 124.568 120.500 -0.113 0.000 2.803 82 R HA 0.715 5.055 4.340 0.001 0.000 0.276 82 R C -0.135 175.957 176.300 -0.346 0.000 0.978 82 R CA -0.856 55.092 56.100 -0.254 0.000 0.939 82 R CB 2.250 32.322 30.300 -0.380 0.000 1.179 82 R HN 0.782 nan 8.270 nan 0.000 0.472 83 G N 2.156 110.731 108.800 -0.375 0.000 2.644 83 G HA2 0.439 4.400 3.960 0.001 0.000 0.300 83 G HA3 0.439 4.400 3.960 0.001 0.000 0.300 83 G C -0.978 173.806 174.900 -0.194 0.000 1.395 83 G CA -0.342 44.590 45.100 -0.280 0.000 0.964 83 G HN 0.413 nan 8.290 nan 0.000 0.511 84 H N 2.287 121.412 119.070 0.091 0.000 2.505 84 H HA 0.280 4.836 4.556 0.001 0.000 0.338 84 H C -0.114 175.223 175.328 0.015 0.000 1.057 84 H CA -0.845 55.215 56.048 0.019 0.000 1.202 84 H CB 2.351 32.019 29.762 -0.157 0.000 1.466 84 H HN 0.474 nan 8.280 nan 0.000 0.499 85 L N 2.891 124.139 121.223 0.042 0.000 2.540 85 L HA -0.036 4.304 4.340 0.001 0.000 0.276 85 L C 0.774 177.425 176.870 -0.365 0.000 1.212 85 L CA 0.124 54.697 54.840 -0.444 0.000 0.893 85 L CB 0.175 42.013 42.059 -0.368 0.000 1.138 85 L HN 0.505 nan 8.230 nan 0.000 0.491 86 N N 4.266 122.701 118.700 -0.441 0.000 3.243 86 N HA 0.377 5.117 4.740 0.001 0.000 0.310 86 N C -1.215 174.129 175.510 -0.276 0.000 1.313 86 N CA 0.442 53.280 53.050 -0.354 0.000 1.204 86 N CB -0.327 37.958 38.487 -0.336 0.000 1.483 86 N HN 0.673 nan 8.380 nan 0.000 0.553 87 A N 1.063 123.732 122.820 -0.251 0.000 2.476 87 A HA 0.290 4.610 4.320 0.001 0.000 0.280 87 A C -0.102 177.406 177.584 -0.127 0.000 1.081 87 A CA -0.764 51.176 52.037 -0.161 0.000 0.753 87 A CB -0.054 18.858 19.000 -0.148 0.000 1.248 87 A HN 0.448 nan 8.150 nan 0.000 0.424 88 C N 3.000 122.259 119.300 -0.068 0.000 2.597 88 C HA 0.141 4.601 4.460 0.001 0.000 0.412 88 C C 1.747 176.782 174.990 0.075 0.000 1.348 88 C CA -0.024 59.013 59.018 0.031 0.000 1.769 88 C CB -0.268 27.541 27.740 0.115 0.000 2.641 88 C HN 0.872 nan 8.230 nan 0.000 0.612 89 R N 2.302 122.955 120.500 0.255 0.000 2.235 89 R HA -0.044 4.296 4.340 0.001 0.000 0.213 89 R C 1.937 178.285 176.300 0.079 0.000 1.059 89 R CA 1.055 57.343 56.100 0.313 0.000 0.997 89 R CB -0.887 29.820 30.300 0.680 0.000 0.884 89 R HN 0.889 nan 8.270 nan 0.000 0.462 90 H N 0.085 118.902 119.070 -0.422 0.000 2.265 90 H HA 0.020 4.577 4.556 0.001 0.000 0.305 90 H C 0.840 175.910 175.328 -0.429 0.000 1.054 90 H CA 1.213 56.753 56.048 -0.846 0.000 1.296 90 H CB 0.473 29.217 29.762 -1.697 0.000 1.395 90 H HN -0.070 nan 8.280 nan 0.000 0.502 91 R N -0.761 119.462 120.500 -0.462 0.000 2.565 91 R HA 0.171 4.511 4.340 0.001 0.000 0.347 91 R C 0.367 176.621 176.300 -0.077 0.000 1.010 91 R CA 0.660 56.578 56.100 -0.303 0.000 1.126 91 R CB 0.727 30.833 30.300 -0.323 0.000 1.331 91 R HN 0.677 nan 8.270 nan 0.000 0.552 92 G N 0.581 109.349 108.800 -0.053 0.000 2.141 92 G HA2 -0.315 3.646 3.960 0.001 0.000 0.242 92 G HA3 -0.315 3.646 3.960 0.001 0.000 0.242 92 G C 0.182 175.077 174.900 -0.008 0.000 0.982 92 G CA 0.294 45.378 45.100 -0.026 0.000 0.662 92 G HN 0.320 nan 8.290 nan 0.000 0.527 93 M N 0.738 120.363 119.600 0.042 0.000 2.250 93 M HA 0.249 4.729 4.480 0.001 0.000 0.325 93 M C 0.939 177.233 176.300 -0.010 0.000 1.084 93 M CA 0.198 55.520 55.300 0.036 0.000 1.161 93 M CB 0.291 32.952 32.600 0.101 0.000 1.481 93 M HN 0.336 nan 8.290 nan 0.000 0.449 94 Q N 2.021 121.801 119.800 -0.033 0.000 2.271 94 Q HA 0.055 4.395 4.340 0.001 0.000 0.273 94 Q C 0.943 176.922 176.000 -0.036 0.000 1.051 94 Q CA -0.337 55.426 55.803 -0.067 0.000 0.901 94 Q CB 0.524 29.227 28.738 -0.059 0.000 1.174 94 Q HN 0.708 nan 8.270 nan 0.000 0.385 95 V N -0.400 119.464 119.914 -0.083 0.000 3.623 95 V HA 0.131 4.251 4.120 0.001 0.000 0.271 95 V C 0.376 176.466 176.094 -0.006 0.000 1.248 95 V CA -0.093 62.204 62.300 -0.006 0.000 1.156 95 V CB 0.304 32.120 31.823 -0.011 0.000 0.870 95 V HN 0.756 nan 8.190 nan 0.000 0.453 96 C N 0.800 120.035 119.300 -0.109 0.000 2.505 96 C HA 0.631 5.091 4.460 0.001 0.000 0.342 96 C C 0.942 175.919 174.990 -0.021 0.000 1.121 96 C CA -0.495 58.487 59.018 -0.059 0.000 1.306 96 C CB 1.317 28.890 27.740 -0.277 0.000 1.897 96 C HN 0.574 nan 8.230 nan 0.000 0.446 97 R N 2.866 123.394 120.500 0.046 0.000 2.397 97 R HA 0.367 4.707 4.340 0.001 0.000 0.241 97 R C 0.871 177.225 176.300 0.091 0.000 0.914 97 R CA 0.200 56.330 56.100 0.050 0.000 1.071 97 R CB 0.659 30.984 30.300 0.040 0.000 1.116 97 R HN 0.772 nan 8.270 nan 0.000 0.524 98 A N 0.732 123.642 122.820 0.149 0.000 2.271 98 A HA 0.173 4.494 4.320 0.001 0.000 0.288 98 A C 0.477 178.184 177.584 0.207 0.000 1.094 98 A CA -0.397 51.753 52.037 0.188 0.000 0.828 98 A CB 0.632 19.786 19.000 0.257 0.000 1.091 98 A HN 0.247 nan 8.150 nan 0.000 0.493 99 E N -0.501 119.793 120.200 0.157 0.000 2.385 99 E HA 0.117 4.468 4.350 0.001 0.000 0.194 99 E C 0.153 176.829 176.600 0.126 0.000 1.013 99 E CA 0.925 57.405 56.400 0.133 0.000 0.866 99 E CB -0.063 29.694 29.700 0.094 0.000 0.832 99 E HN 0.729 nan 8.360 nan 0.000 0.500 100 M N -2.898 116.745 119.600 0.072 0.000 2.853 100 M HA 0.596 5.076 4.480 0.001 0.000 0.273 100 M C -0.709 175.309 176.300 -0.469 0.000 1.128 100 M CA -0.793 54.374 55.300 -0.221 0.000 0.814 100 M CB 1.700 34.219 32.600 -0.135 0.000 1.667 100 M HN -0.029 nan 8.290 nan 0.000 0.519 101 G N 1.001 109.213 108.800 -0.980 0.000 2.344 101 G HA2 0.269 4.229 3.960 0.001 0.000 0.282 101 G HA3 0.269 4.229 3.960 0.001 0.000 0.282 101 G C -2.500 172.037 174.900 -0.605 0.000 1.281 101 G CA -0.445 44.276 45.100 -0.632 0.000 0.877 101 G HN 1.020 nan 8.290 nan 0.000 0.494 102 N N -0.257 118.387 118.700 -0.094 0.000 2.371 102 N HA 0.644 5.384 4.740 0.001 0.000 0.291 102 N C -1.634 173.985 175.510 0.181 0.000 1.053 102 N CA 0.054 53.147 53.050 0.073 0.000 0.870 102 N CB 2.376 40.871 38.487 0.014 0.000 1.503 102 N HN 0.805 nan 8.380 nan 0.000 0.485 103 T N 0.282 114.940 114.554 0.174 0.000 2.889 103 T HA 0.251 4.601 4.350 0.001 0.000 0.315 103 T C 0.947 175.564 174.700 -0.140 0.000 1.291 103 T CA -0.240 61.850 62.100 -0.017 0.000 1.028 103 T CB 0.877 69.666 68.868 -0.132 0.000 1.235 103 T HN 0.490 nan 8.240 nan 0.000 0.491 104 S N 1.934 117.572 115.700 -0.103 0.000 2.470 104 S HA 0.193 4.663 4.470 0.001 0.000 0.225 104 S C 0.364 174.688 174.600 -0.459 0.000 1.006 104 S CA 0.499 58.602 58.200 -0.161 0.000 0.934 104 S CB -0.282 62.936 63.200 0.029 0.000 0.778 104 S HN 0.781 nan 8.310 nan 0.000 0.517 105 H N -1.156 117.708 119.070 -0.344 0.000 2.961 105 H HA 0.593 5.149 4.556 0.001 0.000 0.371 105 H C -1.700 173.315 175.328 -0.522 0.000 1.190 105 H CA -0.842 55.017 56.048 -0.315 0.000 1.138 105 H CB 1.136 30.834 29.762 -0.107 0.000 1.816 105 H HN 0.172 nan 8.280 nan 0.000 0.551 106 F N 0.969 121.015 119.950 0.160 0.000 2.426 106 F HA 0.470 4.998 4.527 0.001 0.000 0.348 106 F C 0.272 176.205 175.800 0.223 0.000 1.124 106 F CA -0.745 57.324 58.000 0.115 0.000 1.008 106 F CB 1.423 40.427 39.000 0.007 0.000 1.139 106 F HN 0.187 nan 8.300 nan 0.000 0.452 107 R N 2.748 123.433 120.500 0.309 0.000 2.343 107 R HA 0.485 4.825 4.340 0.001 0.000 0.320 107 R C -1.159 175.290 176.300 0.250 0.000 0.956 107 R CA -0.420 55.830 56.100 0.250 0.000 0.836 107 R CB 1.065 31.453 30.300 0.146 0.000 1.151 107 R HN 0.857 nan 8.270 nan 0.000 0.450 108 C N 7.799 127.275 119.300 0.292 0.000 2.627 108 C HA 0.337 4.798 4.460 0.001 0.000 0.404 108 C C -1.214 173.889 174.990 0.190 0.000 1.340 108 C CA -1.814 57.354 59.018 0.250 0.000 1.758 108 C CB 0.421 28.342 27.740 0.301 0.000 2.501 108 C HN 0.778 nan 8.230 nan 0.000 0.588 109 P HA -0.106 nan 4.420 nan 0.000 0.222 109 P C 1.081 178.453 177.300 0.121 0.000 1.147 109 P CA 1.399 64.560 63.100 0.103 0.000 0.790 109 P CB -0.122 31.611 31.700 0.055 0.000 0.780 110 Y N -0.338 119.944 120.300 -0.031 0.000 2.114 110 Y HA -0.178 4.373 4.550 0.001 0.000 0.284 110 Y C 1.426 177.107 175.900 -0.365 0.000 1.119 110 Y CA 1.240 59.222 58.100 -0.197 0.000 1.108 110 Y CB 0.082 38.455 38.460 -0.145 0.000 0.995 110 Y HN 0.069 nan 8.280 nan 0.000 0.491 111 H N -1.653 117.486 119.070 0.116 0.000 3.058 111 H HA 0.304 4.860 4.556 0.001 0.000 0.266 111 H C 1.039 176.440 175.328 0.121 0.000 1.135 111 H CA 0.382 56.456 56.048 0.044 0.000 1.174 111 H CB 1.017 30.720 29.762 -0.097 0.000 1.581 111 H HN 0.463 nan 8.280 nan 0.000 0.553 112 G N 0.081 109.022 108.800 0.236 0.000 2.136 112 G HA2 -0.274 3.686 3.960 0.001 0.000 0.242 112 G HA3 -0.274 3.686 3.960 0.001 0.000 0.242 112 G C -0.379 174.677 174.900 0.261 0.000 0.989 112 G CA -0.283 44.944 45.100 0.212 0.000 0.682 112 G HN 0.183 nan 8.290 nan 0.000 0.522 113 W N 0.865 122.155 121.300 -0.017 0.000 2.257 113 W HA 0.522 5.183 4.660 0.001 0.000 0.337 113 W C 0.738 177.130 176.519 -0.211 0.000 1.321 113 W CA 0.513 57.746 57.345 -0.187 0.000 1.267 113 W CB 0.369 29.687 29.460 -0.236 0.000 1.187 113 W HN 0.057 nan 8.180 nan 0.000 0.565 114 T N 4.459 118.913 114.554 -0.167 0.000 2.840 114 T HA 0.417 4.767 4.350 0.001 0.000 0.287 114 T C -1.314 173.292 174.700 -0.156 0.000 0.991 114 T CA -0.502 61.564 62.100 -0.056 0.000 0.964 114 T CB 0.491 69.342 68.868 -0.028 0.000 0.954 114 T HN 0.014 nan 8.240 nan 0.000 0.438 115 Y N 1.097 121.509 120.300 0.187 0.000 2.377 115 Y HA 0.566 5.116 4.550 0.001 0.000 0.339 115 Y C 0.935 176.907 175.900 0.120 0.000 1.011 115 Y CA -0.881 57.307 58.100 0.146 0.000 1.093 115 Y CB 1.566 40.104 38.460 0.131 0.000 1.201 115 Y HN 0.574 nan 8.280 nan 0.000 0.455 116 S N 1.644 117.438 115.700 0.157 0.000 2.573 116 S HA -0.055 4.415 4.470 0.001 0.000 0.277 116 S C 1.162 175.744 174.600 -0.031 0.000 1.346 116 S CA -0.379 57.738 58.200 -0.139 0.000 1.034 116 S CB 0.277 63.417 63.200 -0.100 0.000 0.879 116 S HN 0.841 nan 8.310 nan 0.000 0.528 117 N N 2.653 121.273 118.700 -0.134 0.000 2.573 117 N HA -0.076 4.664 4.740 0.001 0.000 0.187 117 N C 1.201 176.870 175.510 0.265 0.000 1.107 117 N CA 1.269 54.408 53.050 0.148 0.000 0.918 117 N CB -0.999 37.517 38.487 0.050 0.000 0.966 117 N HN 0.522 nan 8.380 nan 0.000 0.448 118 T N -1.001 113.623 114.554 0.117 0.000 2.929 118 T HA 0.074 4.425 4.350 0.001 0.000 0.271 118 T C 1.397 176.218 174.700 0.201 0.000 1.085 118 T CA 1.563 63.753 62.100 0.149 0.000 1.125 118 T CB -0.654 68.250 68.868 0.060 0.000 0.874 118 T HN 0.688 nan 8.240 nan 0.000 0.494 119 G N 0.351 109.135 108.800 -0.027 0.000 2.234 119 G HA2 -0.240 3.720 3.960 0.001 0.000 0.235 119 G HA3 -0.240 3.720 3.960 0.001 0.000 0.235 119 G C 0.419 175.354 174.900 0.058 0.000 0.997 119 G CA 0.175 45.148 45.100 -0.212 0.000 0.623 119 G HN 0.559 nan 8.290 nan 0.000 0.514 120 S N 0.830 116.591 115.700 0.102 0.000 2.549 120 S HA 0.449 4.919 4.470 0.001 0.000 0.283 120 S C 0.266 174.968 174.600 0.170 0.000 1.320 120 S CA -0.233 58.038 58.200 0.119 0.000 1.058 120 S CB 1.557 64.793 63.200 0.061 0.000 0.882 120 S HN 0.877 nan 8.310 nan 0.000 0.498 121 L N 5.939 127.241 121.223 0.132 0.000 2.385 121 L HA 0.223 4.564 4.340 0.001 0.000 0.281 121 L C 0.749 177.536 176.870 -0.139 0.000 1.106 121 L CA 0.365 55.140 54.840 -0.108 0.000 0.856 121 L CB 0.437 42.404 42.059 -0.153 0.000 1.186 121 L HN 0.576 nan 8.230 nan 0.000 0.453 122 V N 1.993 121.823 119.914 -0.140 0.000 3.635 122 V HA 0.643 4.763 4.120 0.001 0.000 0.266 122 V C 0.687 176.691 176.094 -0.151 0.000 1.316 122 V CA 0.533 62.778 62.300 -0.091 0.000 1.060 122 V CB -0.070 31.764 31.823 0.018 0.000 0.820 122 V HN 0.780 nan 8.190 nan 0.000 0.447 123 G N -0.262 108.400 108.800 -0.230 0.000 2.740 123 G HA2 0.603 4.564 3.960 0.001 0.000 0.296 123 G HA3 0.603 4.564 3.960 0.001 0.000 0.296 123 G C -1.776 172.907 174.900 -0.362 0.000 1.439 123 G CA -0.412 44.544 45.100 -0.240 0.000 1.066 123 G HN 0.180 nan 8.290 nan 0.000 0.527 124 V N 3.370 123.047 119.914 -0.395 0.000 2.482 124 V HA 0.410 4.531 4.120 0.001 0.000 0.295 124 V C -2.132 173.835 176.094 -0.212 0.000 1.026 124 V CA -1.452 60.541 62.300 -0.512 0.000 0.856 124 V CB 2.235 33.500 31.823 -0.930 0.000 1.001 124 V HN 0.659 nan 8.190 nan 0.000 0.424 125 P HA 0.253 nan 4.420 nan 0.000 0.265 125 P C 0.486 177.826 177.300 0.066 0.000 1.193 125 P CA 0.722 63.837 63.100 0.025 0.000 0.765 125 P CB 0.638 32.393 31.700 0.091 0.000 0.823 126 A N 2.839 125.688 122.820 0.049 0.000 2.860 126 A HA -0.192 4.128 4.320 0.001 0.000 0.267 126 A C 1.928 179.586 177.584 0.124 0.000 1.421 126 A CA 1.265 53.345 52.037 0.072 0.000 0.831 126 A CB -2.337 16.708 19.000 0.076 0.000 1.041 126 A HN 0.717 nan 8.150 nan 0.000 0.623 127 G N 0.015 108.841 108.800 0.044 0.000 2.545 127 G HA2 -0.273 3.688 3.960 0.001 0.000 0.222 127 G HA3 -0.273 3.688 3.960 0.001 0.000 0.222 127 G C 1.320 176.256 174.900 0.060 0.000 1.126 127 G CA 1.800 46.900 45.100 0.000 0.000 0.754 127 G HN 1.009 nan 8.290 nan 0.000 0.583 128 K N 0.572 120.992 120.400 0.033 0.000 2.108 128 K HA 0.179 4.499 4.320 0.001 0.000 0.204 128 K C 1.838 178.453 176.600 0.025 0.000 1.036 128 K CA 1.148 57.449 56.287 0.023 0.000 0.965 128 K CB -0.751 31.751 32.500 0.002 0.000 0.804 128 K HN 0.072 nan 8.250 nan 0.000 0.454 129 D N 0.842 121.252 120.400 0.017 0.000 2.178 129 D HA -0.025 4.615 4.640 0.001 0.000 0.202 129 D C 1.629 177.913 176.300 -0.026 0.000 0.974 129 D CA 1.652 55.651 54.000 -0.002 0.000 0.841 129 D CB -0.005 40.794 40.800 -0.002 0.000 0.953 129 D HN 0.357 nan 8.370 nan 0.000 0.478 130 A N -0.792 122.011 122.820 -0.028 0.000 1.963 130 A HA 0.045 4.365 4.320 0.001 0.000 0.207 130 A C 1.400 178.823 177.584 -0.269 0.000 1.243 130 A CA 0.172 52.106 52.037 -0.171 0.000 0.728 130 A CB -0.299 18.557 19.000 -0.240 0.000 0.895 130 A HN 0.161 nan 8.150 nan 0.000 0.467 131 Y N -0.327 119.943 120.300 -0.050 0.000 2.449 131 Y HA 0.352 4.903 4.550 0.001 0.000 0.254 131 Y C 1.759 177.632 175.900 -0.046 0.000 1.140 131 Y CA 0.126 58.193 58.100 -0.056 0.000 1.272 131 Y CB 0.277 38.682 38.460 -0.090 0.000 1.114 131 Y HN 0.404 nan 8.280 nan 0.000 0.525 132 G N 1.478 110.327 108.800 0.081 0.000 2.283 132 G HA2 -0.436 3.525 3.960 0.001 0.000 0.280 132 G HA3 -0.436 3.525 3.960 0.001 0.000 0.280 132 G C 0.352 175.276 174.900 0.040 0.000 1.029 132 G CA 0.752 45.876 45.100 0.040 0.000 0.840 132 G HN 0.733 nan 8.290 nan 0.000 0.505 133 N N -1.873 116.854 118.700 0.044 0.000 2.693 133 N HA -0.222 4.519 4.740 0.001 0.000 0.249 133 N C 1.376 176.891 175.510 0.008 0.000 1.119 133 N CA 1.139 54.192 53.050 0.005 0.000 0.717 133 N CB -0.192 38.289 38.487 -0.010 0.000 1.071 133 N HN 0.585 nan 8.380 nan 0.000 0.555 134 Q N -0.303 119.523 119.800 0.043 0.000 2.408 134 Q HA 0.158 4.499 4.340 0.001 0.000 0.205 134 Q C 0.424 176.448 176.000 0.040 0.000 0.919 134 Q CA 0.168 55.998 55.803 0.046 0.000 0.932 134 Q CB 0.348 29.127 28.738 0.068 0.000 1.058 134 Q HN 0.510 nan 8.270 nan 0.000 0.517 135 L N 2.157 123.370 121.223 -0.016 0.000 2.369 135 L HA 0.121 4.461 4.340 0.001 0.000 0.279 135 L C 0.135 176.959 176.870 -0.077 0.000 1.108 135 L CA 0.191 54.968 54.840 -0.104 0.000 0.852 135 L CB 0.481 42.257 42.059 -0.472 0.000 1.169 135 L HN -0.193 nan 8.230 nan 0.000 0.452 136 K N 5.064 125.501 120.400 0.063 0.000 2.220 136 K HA 0.106 4.426 4.320 0.001 0.000 0.283 136 K C 0.828 177.488 176.600 0.100 0.000 1.098 136 K CA -0.096 56.226 56.287 0.059 0.000 0.928 136 K CB 0.407 32.952 32.500 0.074 0.000 1.214 136 K HN 0.663 nan 8.250 nan 0.000 0.442 137 K N 0.694 121.076 120.400 -0.029 0.000 2.113 137 K HA -0.155 4.165 4.320 0.001 0.000 0.208 137 K C 1.646 178.253 176.600 0.012 0.000 1.047 137 K CA 1.950 58.201 56.287 -0.061 0.000 0.928 137 K CB -0.020 32.374 32.500 -0.176 0.000 0.716 137 K HN 0.634 nan 8.250 nan 0.000 0.446 138 S N 0.942 116.631 115.700 -0.017 0.000 2.547 138 S HA -0.104 4.367 4.470 0.001 0.000 0.235 138 S C 1.028 175.575 174.600 -0.088 0.000 0.980 138 S CA 1.120 59.301 58.200 -0.031 0.000 0.941 138 S CB -0.030 63.150 63.200 -0.033 0.000 0.763 138 S HN 0.157 nan 8.310 nan 0.000 0.532 139 D N 0.036 120.337 120.400 -0.164 0.000 2.349 139 D HA 0.141 4.781 4.640 0.001 0.000 0.215 139 D C -0.225 175.582 176.300 -0.821 0.000 1.016 139 D CA 0.366 54.064 54.000 -0.505 0.000 0.870 139 D CB -0.008 40.419 40.800 -0.621 0.000 0.917 139 D HN 0.697 nan 8.370 nan 0.000 0.524 140 W N 1.278 122.609 121.300 0.051 0.000 2.128 140 W HA 0.265 4.925 4.660 0.001 0.000 0.356 140 W C 0.052 176.704 176.519 0.221 0.000 0.891 140 W CA -0.788 56.645 57.345 0.146 0.000 2.408 140 W CB -0.172 29.396 29.460 0.181 0.000 1.234 140 W HN -0.332 nan 8.180 nan 0.000 0.597 141 N N 1.274 120.112 118.700 0.231 0.000 2.371 141 N HA 0.145 4.885 4.740 0.001 0.000 0.243 141 N C 0.181 175.807 175.510 0.193 0.000 1.287 141 N CA -0.005 53.195 53.050 0.250 0.000 0.911 141 N CB 0.705 39.264 38.487 0.120 0.000 1.142 141 N HN 0.012 nan 8.380 nan 0.000 0.451 142 L N 1.402 122.651 121.223 0.043 0.000 2.525 142 L HA 0.026 4.366 4.340 0.001 0.000 0.278 142 L C 1.105 177.982 176.870 0.010 0.000 1.218 142 L CA 0.245 55.002 54.840 -0.139 0.000 0.878 142 L CB 0.205 42.018 42.059 -0.411 0.000 1.127 142 L HN 0.220 nan 8.230 nan 0.000 0.492 143 R N 3.912 124.420 120.500 0.013 0.000 2.421 143 R HA 0.145 4.486 4.340 0.001 0.000 0.305 143 R C -2.192 174.172 176.300 0.106 0.000 1.039 143 R CA -1.563 54.565 56.100 0.047 0.000 1.003 143 R CB -0.053 30.263 30.300 0.027 0.000 0.959 143 R HN 0.323 nan 8.270 nan 0.000 0.427 144 P HA -0.020 nan 4.420 nan 0.000 0.274 144 P C -0.390 176.969 177.300 0.099 0.000 1.231 144 P CA -0.567 62.595 63.100 0.103 0.000 0.790 144 P CB 0.536 32.265 31.700 0.048 0.000 0.951 145 M N 5.073 124.698 119.600 0.042 0.000 2.284 145 M HA 0.074 4.555 4.480 0.001 0.000 0.351 145 M C -1.813 174.414 176.300 -0.121 0.000 1.443 145 M CA -1.165 54.056 55.300 -0.131 0.000 1.031 145 M CB -0.351 32.040 32.600 -0.350 0.000 1.893 145 M HN 0.203 nan 8.290 nan 0.000 0.456 146 P HA -0.090 nan 4.420 nan 0.000 0.216 146 P C -0.489 176.702 177.300 -0.182 0.000 1.150 146 P CA 1.361 64.368 63.100 -0.156 0.000 0.837 146 P CB 0.201 31.785 31.700 -0.193 0.000 0.786 147 N N -0.410 118.134 118.700 -0.259 0.000 2.410 147 N HA 0.380 5.121 4.740 0.001 0.000 0.287 147 N C -1.614 173.855 175.510 -0.069 0.000 1.044 147 N CA -0.404 52.527 53.050 -0.198 0.000 0.881 147 N CB 1.813 40.033 38.487 -0.445 0.000 1.405 147 N HN -0.131 nan 8.380 nan 0.000 0.490 148 L N 2.277 123.580 121.223 0.134 0.000 2.386 148 L HA 0.915 5.255 4.340 0.001 0.000 0.271 148 L C -1.078 175.936 176.870 0.239 0.000 0.993 148 L CA -0.369 54.581 54.840 0.183 0.000 0.819 148 L CB 1.674 43.739 42.059 0.010 0.000 1.294 148 L HN 0.658 nan 8.230 nan 0.000 0.414 149 A N 2.523 125.481 122.820 0.229 0.000 2.599 149 A HA 0.842 5.162 4.320 0.001 0.000 0.290 149 A C -1.462 176.152 177.584 0.051 0.000 1.101 149 A CA -0.532 51.530 52.037 0.042 0.000 0.674 149 A CB 1.686 20.586 19.000 -0.167 0.000 1.277 149 A HN 0.525 nan 8.150 nan 0.000 0.419 150 S N -0.708 115.001 115.700 0.017 0.000 2.526 150 S HA 0.689 5.159 4.470 0.001 0.000 0.293 150 S C -1.865 172.790 174.600 0.091 0.000 1.092 150 S CA -0.216 58.022 58.200 0.062 0.000 0.980 150 S CB 1.067 64.256 63.200 -0.019 0.000 1.048 150 S HN 0.822 nan 8.310 nan 0.000 0.483 151 Y N 3.865 124.181 120.300 0.027 0.000 2.326 151 Y HA 0.349 4.899 4.550 0.001 0.000 0.329 151 Y C 0.128 176.025 175.900 -0.005 0.000 0.973 151 Y CA -0.645 57.440 58.100 -0.025 0.000 1.162 151 Y CB 0.586 38.999 38.460 -0.078 0.000 1.147 151 Y HN 0.706 nan 8.280 nan 0.000 0.456 152 K N 4.740 124.775 120.400 -0.609 0.000 3.156 152 K HA -0.251 4.069 4.320 0.001 0.000 0.266 152 K C 0.876 177.331 176.600 -0.242 0.000 0.966 152 K CA 1.207 57.212 56.287 -0.470 0.000 0.719 152 K CB -1.723 30.420 32.500 -0.595 0.000 1.333 152 K HN 1.340 nan 8.250 nan 0.000 0.468 153 G N -1.391 107.260 108.800 -0.248 0.000 2.268 153 G HA2 -0.305 3.655 3.960 0.001 0.000 0.240 153 G HA3 -0.305 3.655 3.960 0.001 0.000 0.240 153 G C -0.134 174.490 174.900 -0.460 0.000 1.010 153 G CA 0.005 44.847 45.100 -0.430 0.000 0.618 153 G HN 0.158 nan 8.290 nan 0.000 0.516 154 L N 1.928 123.095 121.223 -0.093 0.000 2.278 154 L HA 0.554 4.894 4.340 0.001 0.000 0.287 154 L C 0.778 177.727 176.870 0.132 0.000 1.072 154 L CA -0.436 54.489 54.840 0.141 0.000 0.819 154 L CB 0.972 43.228 42.059 0.328 0.000 1.176 154 L HN 0.228 nan 8.230 nan 0.000 0.435 155 I N 4.407 124.927 120.570 -0.083 0.000 2.352 155 I HA 0.249 4.419 4.170 0.001 0.000 0.290 155 I C -0.309 175.678 176.117 -0.215 0.000 1.036 155 I CA -0.001 61.233 61.300 -0.109 0.000 1.336 155 I CB 0.235 38.111 38.000 -0.207 0.000 1.407 155 I HN 0.298 nan 8.210 nan 0.000 0.497 156 F N 3.448 123.408 119.950 0.017 0.000 2.556 156 F HA 0.790 5.317 4.527 0.001 0.000 0.327 156 F C 0.717 176.651 175.800 0.224 0.000 1.059 156 F CA -0.695 57.392 58.000 0.144 0.000 0.953 156 F CB 2.030 41.191 39.000 0.268 0.000 1.227 156 F HN 0.372 nan 8.300 nan 0.000 0.478 157 G N -0.057 108.957 108.800 0.356 0.000 2.563 157 G HA2 0.534 4.494 3.960 0.001 0.000 0.302 157 G HA3 0.534 4.494 3.960 0.001 0.000 0.302 157 G C -1.798 172.978 174.900 -0.208 0.000 1.301 157 G CA -0.768 44.346 45.100 0.023 0.000 0.965 157 G HN 0.629 nan 8.290 nan 0.000 0.480 158 S N 0.174 115.473 115.700 -0.669 0.000 2.536 158 S HA 0.449 4.919 4.470 0.001 0.000 0.287 158 S C 0.318 174.597 174.600 -0.535 0.000 1.101 158 S CA -0.652 57.081 58.200 -0.779 0.000 0.950 158 S CB 1.481 63.784 63.200 -1.495 0.000 1.056 158 S HN 0.289 nan 8.310 nan 0.000 0.481 159 L N 2.535 123.528 121.223 -0.384 0.000 2.554 159 L HA 0.368 4.708 4.340 0.001 0.000 0.226 159 L C 0.529 177.211 176.870 -0.314 0.000 1.137 159 L CA 0.937 55.613 54.840 -0.274 0.000 0.863 159 L CB -0.766 41.190 42.059 -0.173 0.000 0.985 159 L HN 0.665 nan 8.230 nan 0.000 0.451 160 D N 0.010 120.174 120.400 -0.393 0.000 2.373 160 D HA 0.190 4.830 4.640 0.001 0.000 0.227 160 D C -1.669 174.430 176.300 -0.335 0.000 1.091 160 D CA -2.247 51.548 54.000 -0.343 0.000 0.840 160 D CB 1.834 42.462 40.800 -0.288 0.000 1.060 160 D HN -0.064 nan 8.370 nan 0.000 0.502 161 P HA -0.089 nan 4.420 nan 0.000 0.223 161 P C 0.374 177.396 177.300 -0.464 0.000 1.151 161 P CA 0.879 63.714 63.100 -0.442 0.000 0.787 161 P CB 0.222 31.599 31.700 -0.538 0.000 0.788 162 H N -0.908 118.133 119.070 -0.047 0.000 2.505 162 H HA 0.444 5.000 4.556 0.001 0.000 0.289 162 H C 0.853 176.189 175.328 0.012 0.000 1.052 162 H CA -0.738 55.307 56.048 -0.005 0.000 1.156 162 H CB -0.304 29.465 29.762 0.010 0.000 1.507 162 H HN 0.069 nan 8.280 nan 0.000 0.548 163 A N 1.167 123.993 122.820 0.010 0.000 2.507 163 A HA -0.005 4.316 4.320 0.001 0.000 0.235 163 A C 0.301 177.985 177.584 0.166 0.000 1.070 163 A CA -0.250 51.804 52.037 0.029 0.000 0.768 163 A CB 0.311 19.160 19.000 -0.253 0.000 1.011 163 A HN 0.169 nan 8.150 nan 0.000 0.502 164 D N 0.979 121.518 120.400 0.232 0.000 2.419 164 D HA 0.229 4.869 4.640 0.001 0.000 0.236 164 D C 1.048 177.561 176.300 0.356 0.000 1.165 164 D CA 0.980 55.133 54.000 0.254 0.000 0.882 164 D CB 0.579 41.529 40.800 0.249 0.000 1.201 164 D HN 0.680 nan 8.370 nan 0.000 0.443 165 S N 1.184 117.003 115.700 0.199 0.000 2.573 165 S HA -0.018 4.453 4.470 0.001 0.000 0.277 165 S C 1.559 176.061 174.600 -0.162 0.000 1.346 165 S CA -0.774 57.489 58.200 0.104 0.000 1.034 165 S CB 0.652 63.860 63.200 0.013 0.000 0.879 165 S HN 0.522 nan 8.310 nan 0.000 0.528 166 L N 0.994 121.811 121.223 -0.678 0.000 2.043 166 L HA -0.161 4.179 4.340 0.001 0.000 0.212 166 L C 2.676 179.177 176.870 -0.615 0.000 1.075 166 L CA 1.986 56.087 54.840 -1.232 0.000 0.752 166 L CB -0.659 40.620 42.059 -1.300 0.000 0.891 166 L HN 0.852 nan 8.230 nan 0.000 0.432 167 E N -0.342 119.626 120.200 -0.387 0.000 2.072 167 E HA -0.219 4.131 4.350 0.001 0.000 0.191 167 E C 1.686 178.151 176.600 -0.225 0.000 0.985 167 E CA 1.298 57.517 56.400 -0.301 0.000 0.801 167 E CB -0.079 29.515 29.700 -0.177 0.000 0.750 167 E HN 0.584 nan 8.360 nan 0.000 0.452 168 D N 0.147 120.464 120.400 -0.139 0.000 2.144 168 D HA -0.147 4.494 4.640 0.001 0.000 0.200 168 D C 1.747 177.975 176.300 -0.120 0.000 0.978 168 D CA 0.781 54.743 54.000 -0.062 0.000 0.833 168 D CB -0.391 40.420 40.800 0.019 0.000 0.961 168 D HN 0.203 nan 8.370 nan 0.000 0.470 169 Y N 1.265 121.339 120.300 -0.378 0.000 2.181 169 Y HA -0.124 4.427 4.550 0.001 0.000 0.288 169 Y C 2.122 177.786 175.900 -0.394 0.000 1.146 169 Y CA 1.311 59.028 58.100 -0.639 0.000 1.164 169 Y CB -0.256 37.978 38.460 -0.375 0.000 0.982 169 Y HN -0.098 nan 8.280 nan 0.000 0.515 170 L N -0.525 120.534 121.223 -0.274 0.000 2.093 170 L HA 0.006 4.347 4.340 0.001 0.000 0.208 170 L C 2.081 178.837 176.870 -0.191 0.000 1.085 170 L CA 0.768 55.399 54.840 -0.348 0.000 0.755 170 L CB -1.355 40.394 42.059 -0.517 0.000 0.904 170 L HN 0.540 nan 8.230 nan 0.000 0.435 171 G N 0.575 109.280 108.800 -0.158 0.000 2.611 171 G HA2 -0.404 3.556 3.960 0.001 0.000 0.301 171 G HA3 -0.404 3.556 3.960 0.001 0.000 0.301 171 G C 0.465 175.333 174.900 -0.053 0.000 1.233 171 G CA 0.536 45.603 45.100 -0.055 0.000 0.993 171 G HN 0.285 nan 8.290 nan 0.000 0.553 172 D N 0.432 120.836 120.400 0.007 0.000 2.309 172 D HA -0.001 4.639 4.640 0.001 0.000 0.212 172 D C 2.420 178.796 176.300 0.127 0.000 0.968 172 D CA 0.547 54.568 54.000 0.036 0.000 0.882 172 D CB -0.103 40.718 40.800 0.035 0.000 0.918 172 D HN 0.296 nan 8.370 nan 0.000 0.503 173 L N 0.698 121.986 121.223 0.109 0.000 2.191 173 L HA -0.170 4.171 4.340 0.001 0.000 0.212 173 L C 1.935 178.868 176.870 0.105 0.000 1.103 173 L CA 1.179 56.118 54.840 0.164 0.000 0.769 173 L CB -0.078 41.955 42.059 -0.042 0.000 0.908 173 L HN 0.031 nan 8.230 nan 0.000 0.438 174 K N -0.701 119.658 120.400 -0.069 0.000 2.113 174 K HA -0.272 4.049 4.320 0.001 0.000 0.208 174 K C 1.932 178.558 176.600 0.043 0.000 1.047 174 K CA 1.723 57.924 56.287 -0.145 0.000 0.928 174 K CB -0.390 31.895 32.500 -0.359 0.000 0.716 174 K HN 0.202 nan 8.250 nan 0.000 0.446 175 F N 0.755 120.618 119.950 -0.146 0.000 2.126 175 F HA -0.275 4.252 4.527 0.001 0.000 0.299 175 F C 1.681 177.293 175.800 -0.312 0.000 1.096 175 F CA 1.584 59.411 58.000 -0.287 0.000 1.255 175 F CB -0.174 38.528 39.000 -0.496 0.000 0.997 175 F HN 0.008 nan 8.300 nan 0.000 0.479 176 Y N -0.544 119.906 120.300 0.251 0.000 2.347 176 Y HA 0.013 4.564 4.550 0.001 0.000 0.294 176 Y C 2.235 178.156 175.900 0.036 0.000 1.117 176 Y CA 0.625 58.822 58.100 0.162 0.000 1.184 176 Y CB -0.475 38.120 38.460 0.224 0.000 1.047 176 Y HN -0.039 nan 8.280 nan 0.000 0.546 177 L N -0.037 121.297 121.223 0.185 0.000 2.042 177 L HA -0.270 4.071 4.340 0.001 0.000 0.210 177 L C 1.785 178.685 176.870 0.051 0.000 1.076 177 L CA 1.327 56.243 54.840 0.127 0.000 0.749 177 L CB -0.516 41.654 42.059 0.184 0.000 0.893 177 L HN 0.226 nan 8.230 nan 0.000 0.432 178 D N 0.389 120.798 120.400 0.015 0.000 2.133 178 D HA -0.195 4.445 4.640 0.001 0.000 0.195 178 D C 2.216 178.393 176.300 -0.204 0.000 0.997 178 D CA 1.360 55.296 54.000 -0.106 0.000 0.840 178 D CB -0.178 40.518 40.800 -0.174 0.000 0.947 178 D HN 0.352 nan 8.370 nan 0.000 0.452 179 I N 0.069 120.499 120.570 -0.233 0.000 2.454 179 I HA -0.196 3.975 4.170 0.001 0.000 0.254 179 I C 2.154 178.010 176.117 -0.435 0.000 1.156 179 I CA 0.558 61.646 61.300 -0.353 0.000 1.433 179 I CB 0.191 38.054 38.000 -0.229 0.000 1.082 179 I HN -0.091 nan 8.210 nan 0.000 0.432 180 V N 0.077 119.849 119.914 -0.236 0.000 3.085 180 V HA 0.002 4.122 4.120 0.001 0.000 0.245 180 V C 1.878 177.867 176.094 -0.174 0.000 1.114 180 V CA 0.818 62.996 62.300 -0.203 0.000 1.108 180 V CB 0.401 32.168 31.823 -0.094 0.000 0.798 180 V HN 0.291 nan 8.190 nan 0.000 0.471 181 L N -0.637 120.504 121.223 -0.136 0.000 2.463 181 L HA 0.230 4.571 4.340 0.001 0.000 0.219 181 L C 1.210 177.998 176.870 -0.137 0.000 1.088 181 L CA 0.790 55.563 54.840 -0.112 0.000 0.849 181 L CB 0.050 42.072 42.059 -0.062 0.000 1.012 181 L HN 0.262 nan 8.230 nan 0.000 0.468 182 D N -0.340 119.957 120.400 -0.172 0.000 2.593 182 D HA 0.089 4.729 4.640 0.001 0.000 0.241 182 D C 1.662 177.853 176.300 -0.183 0.000 1.257 182 D CA -0.001 53.893 54.000 -0.176 0.000 0.828 182 D CB 0.364 41.050 40.800 -0.190 0.000 1.049 182 D HN -0.033 nan 8.370 nan 0.000 0.490 183 R N -0.381 120.002 120.500 -0.194 0.000 2.189 183 R HA 0.055 4.396 4.340 0.001 0.000 0.218 183 R C 0.716 176.921 176.300 -0.158 0.000 1.074 183 R CA 0.581 56.562 56.100 -0.199 0.000 0.991 183 R CB 0.089 30.261 30.300 -0.214 0.000 0.883 183 R HN 0.168 nan 8.270 nan 0.000 0.457 184 S N -0.751 114.868 115.700 -0.136 0.000 2.542 184 S HA 0.219 4.689 4.470 0.001 0.000 0.293 184 S C -0.031 174.508 174.600 -0.100 0.000 1.089 184 S CA -1.055 57.076 58.200 -0.115 0.000 0.961 184 S CB 2.365 65.500 63.200 -0.107 0.000 1.062 184 S HN -0.151 nan 8.310 nan 0.000 0.483 185 D N 2.218 122.565 120.400 -0.089 0.000 2.104 185 D HA -0.057 4.583 4.640 0.001 0.000 0.194 185 D C 1.994 178.254 176.300 -0.068 0.000 0.994 185 D CA 2.046 56.000 54.000 -0.077 0.000 0.830 185 D CB -0.547 40.214 40.800 -0.066 0.000 0.959 185 D HN 0.773 nan 8.370 nan 0.000 0.452 186 A N -0.013 122.770 122.820 -0.062 0.000 2.167 186 A HA 0.424 4.744 4.320 0.001 0.000 0.214 186 A C 1.272 178.828 177.584 -0.047 0.000 1.151 186 A CA 1.231 53.238 52.037 -0.050 0.000 0.735 186 A CB -0.350 18.625 19.000 -0.043 0.000 0.802 186 A HN 0.376 nan 8.150 nan 0.000 0.467 187 G N -1.630 107.135 108.800 -0.059 0.000 2.796 187 G HA2 0.025 3.985 3.960 0.001 0.000 0.571 187 G HA3 0.025 3.985 3.960 0.001 0.000 0.571 187 G C -0.639 174.233 174.900 -0.046 0.000 1.370 187 G CA -0.359 44.713 45.100 -0.047 0.000 0.856 187 G HN 0.529 nan 8.290 nan 0.000 0.538 188 L N 1.031 122.234 121.223 -0.034 0.000 2.418 188 L HA 0.613 4.953 4.340 0.001 0.000 0.265 188 L C 0.974 177.768 176.870 -0.126 0.000 1.143 188 L CA 0.015 54.782 54.840 -0.121 0.000 0.809 188 L CB 1.226 43.160 42.059 -0.209 0.000 1.124 188 L HN 0.911 nan 8.230 nan 0.000 0.456 189 Q N 1.056 120.736 119.800 -0.200 0.000 2.337 189 Q HA 0.566 4.906 4.340 0.001 0.000 0.270 189 Q C -1.333 174.521 176.000 -0.244 0.000 1.043 189 Q CA -0.873 54.831 55.803 -0.165 0.000 0.794 189 Q CB 1.847 30.542 28.738 -0.072 0.000 1.281 189 Q HN 0.246 nan 8.270 nan 0.000 0.446 190 V N 3.048 122.841 119.914 -0.201 0.000 2.521 190 V HA 0.065 4.186 4.120 0.001 0.000 0.286 190 V C 0.017 176.106 176.094 -0.007 0.000 1.034 190 V CA -0.287 61.955 62.300 -0.097 0.000 1.045 190 V CB 1.173 33.031 31.823 0.058 0.000 0.974 190 V HN 0.653 nan 8.190 nan 0.000 0.480 191 V N 6.884 126.817 119.914 0.033 0.000 2.408 191 V HA 0.609 4.729 4.120 0.001 0.000 0.267 191 V C 1.193 177.329 176.094 0.070 0.000 1.047 191 V CA 1.060 63.405 62.300 0.075 0.000 0.937 191 V CB -0.082 31.851 31.823 0.184 0.000 0.999 191 V HN 1.251 nan 8.190 nan 0.000 0.472 192 G N 4.634 113.454 108.800 0.034 0.000 2.720 192 G HA2 0.028 3.988 3.960 0.001 0.000 0.293 192 G HA3 0.028 3.988 3.960 0.001 0.000 0.293 192 G C 0.204 175.133 174.900 0.049 0.000 1.256 192 G CA 0.282 45.396 45.100 0.023 0.000 0.974 192 G HN 1.866 nan 8.290 nan 0.000 0.551 193 A N 0.600 123.449 122.820 0.048 0.000 2.593 193 A HA 0.874 5.194 4.320 0.001 0.000 0.290 193 A C -2.828 174.731 177.584 -0.043 0.000 1.126 193 A CA -0.015 52.040 52.037 0.029 0.000 0.695 193 A CB 1.383 20.391 19.000 0.014 0.000 1.290 193 A HN 0.967 nan 8.150 nan 0.000 0.414 194 P HA 0.225 nan 4.420 nan 0.000 0.275 194 P C -0.923 176.302 177.300 -0.125 0.000 1.228 194 P CA 0.002 62.824 63.100 -0.464 0.000 0.786 194 P CB 0.441 31.439 31.700 -1.169 0.000 0.927 195 Q N 1.755 121.573 119.800 0.030 0.000 2.313 195 Q HA 0.233 4.573 4.340 0.001 0.000 0.266 195 Q C 0.045 176.218 176.000 0.288 0.000 0.989 195 Q CA 0.313 56.235 55.803 0.198 0.000 0.890 195 Q CB 0.642 29.565 28.738 0.308 0.000 1.200 195 Q HN 0.302 nan 8.270 nan 0.000 0.396 196 R N 2.855 123.531 120.500 0.293 0.000 2.476 196 R HA 0.542 4.883 4.340 0.001 0.000 0.305 196 R C -1.370 175.175 176.300 0.410 0.000 0.965 196 R CA -0.561 55.685 56.100 0.244 0.000 0.867 196 R CB 1.205 31.555 30.300 0.083 0.000 1.176 196 R HN 0.697 nan 8.270 nan 0.000 0.447 197 W N 0.426 121.766 121.300 0.067 0.000 3.074 197 W HA 0.584 5.244 4.660 0.001 0.000 0.332 197 W C -1.908 174.678 176.519 0.112 0.000 1.253 197 W CA -1.110 56.283 57.345 0.081 0.000 1.180 197 W CB 0.585 30.096 29.460 0.084 0.000 1.445 197 W HN 0.078 nan 8.180 nan 0.000 0.573 198 V N 3.550 123.569 119.914 0.176 0.000 2.394 198 V HA 0.427 4.548 4.120 0.001 0.000 0.282 198 V C 0.081 176.250 176.094 0.124 0.000 1.031 198 V CA -0.697 61.643 62.300 0.067 0.000 0.881 198 V CB 0.882 32.762 31.823 0.094 0.000 0.982 198 V HN 0.509 nan 8.190 nan 0.000 0.451 199 I N 4.217 124.826 120.570 0.065 0.000 2.404 199 I HA 0.345 4.515 4.170 0.001 0.000 0.293 199 I C -0.261 175.933 176.117 0.129 0.000 0.992 199 I CA -0.762 60.632 61.300 0.158 0.000 1.149 199 I CB 2.085 40.212 38.000 0.213 0.000 1.315 199 I HN 0.671 nan 8.210 nan 0.000 0.446 200 D N 6.227 126.701 120.400 0.124 0.000 2.600 200 D HA 0.384 5.025 4.640 0.001 0.000 0.226 200 D C -0.269 176.092 176.300 0.102 0.000 1.119 200 D CA -0.097 53.958 54.000 0.093 0.000 1.051 200 D CB 0.346 41.190 40.800 0.074 0.000 1.106 200 D HN 0.485 nan 8.370 nan 0.000 0.491 201 A N 1.346 124.234 122.820 0.113 0.000 2.587 201 A HA 0.419 4.739 4.320 0.001 0.000 0.293 201 A C -0.503 177.125 177.584 0.073 0.000 1.087 201 A CA -1.012 51.091 52.037 0.109 0.000 0.692 201 A CB 1.448 20.569 19.000 0.201 0.000 1.291 201 A HN 0.304 nan 8.150 nan 0.000 0.407 202 N N 1.698 120.403 118.700 0.008 0.000 2.518 202 N HA 0.017 4.757 4.740 0.001 0.000 0.266 202 N C 1.385 176.840 175.510 -0.090 0.000 1.196 202 N CA -0.044 52.996 53.050 -0.018 0.000 0.947 202 N CB 0.510 38.926 38.487 -0.118 0.000 1.098 202 N HN 0.876 nan 8.380 nan 0.000 0.450 203 W N 5.094 126.389 121.300 -0.009 0.000 2.331 203 W HA -0.156 4.505 4.660 0.001 0.000 0.291 203 W C 0.756 177.147 176.519 -0.213 0.000 1.214 203 W CA 0.510 57.841 57.345 -0.024 0.000 1.228 203 W CB -0.537 29.018 29.460 0.158 0.000 1.135 203 W HN 0.526 nan 8.180 nan 0.000 0.537 204 K N 0.937 120.651 120.400 -1.144 0.000 2.209 204 K HA -0.097 4.224 4.320 0.001 0.000 0.204 204 K C 2.228 178.308 176.600 -0.866 0.000 1.048 204 K CA 1.533 57.101 56.287 -1.199 0.000 0.940 204 K CB -0.347 31.423 32.500 -1.216 0.000 0.729 204 K HN 0.243 nan 8.250 nan 0.000 0.451 205 L N -0.238 120.492 121.223 -0.821 0.000 2.083 205 L HA -0.128 4.212 4.340 0.001 0.000 0.209 205 L C 2.484 178.434 176.870 -1.533 0.000 1.083 205 L CA 1.361 55.624 54.840 -0.961 0.000 0.752 205 L CB -0.698 40.880 42.059 -0.800 0.000 0.899 205 L HN 0.316 nan 8.230 nan 0.000 0.433 206 G N -0.581 107.078 108.800 -1.901 0.000 2.403 206 G HA2 -0.141 3.819 3.960 0.001 0.000 0.216 206 G HA3 -0.141 3.819 3.960 0.001 0.000 0.216 206 G C 1.791 175.838 174.900 -1.423 0.000 1.154 206 G CA 0.687 44.242 45.100 -2.575 0.000 0.784 206 G HN 0.433 nan 8.290 nan 0.000 0.538 207 A N 1.167 123.342 122.820 -1.075 0.000 1.877 207 A HA -0.070 4.250 4.320 0.001 0.000 0.216 207 A C 2.011 179.275 177.584 -0.534 0.000 1.186 207 A CA 2.180 53.971 52.037 -0.411 0.000 0.620 207 A CB -0.677 18.199 19.000 -0.206 0.000 0.822 207 A HN 0.400 nan 8.150 nan 0.000 0.443 208 D N -0.286 119.672 120.400 -0.737 0.000 2.133 208 D HA -0.224 4.417 4.640 0.001 0.000 0.195 208 D C 1.925 178.099 176.300 -0.211 0.000 0.997 208 D CA 1.669 55.358 54.000 -0.519 0.000 0.840 208 D CB -0.173 40.375 40.800 -0.420 0.000 0.947 208 D HN 0.488 nan 8.370 nan 0.000 0.452 209 N N -0.727 117.846 118.700 -0.211 0.000 2.106 209 N HA -0.163 4.577 4.740 0.001 0.000 0.188 209 N C 1.651 177.244 175.510 0.138 0.000 1.029 209 N CA 0.952 53.987 53.050 -0.024 0.000 0.848 209 N CB -0.353 38.185 38.487 0.085 0.000 1.007 209 N HN 0.222 nan 8.380 nan 0.000 0.423 210 F N 0.563 120.608 119.950 0.158 0.000 2.456 210 F HA 0.057 4.585 4.527 0.001 0.000 0.298 210 F C 2.285 178.315 175.800 0.383 0.000 1.104 210 F CA 0.162 58.390 58.000 0.380 0.000 1.435 210 F CB -0.309 38.981 39.000 0.484 0.000 1.078 210 F HN -0.123 nan 8.300 nan 0.000 0.546 211 V N -0.969 119.144 119.914 0.332 0.000 2.626 211 V HA -0.009 4.112 4.120 0.001 0.000 0.252 211 V C 1.755 177.980 176.094 0.218 0.000 1.067 211 V CA 2.039 64.478 62.300 0.232 0.000 1.081 211 V CB -0.178 31.702 31.823 0.094 0.000 0.686 211 V HN 0.402 nan 8.190 nan 0.000 0.468 212 G N -1.338 107.655 108.800 0.321 0.000 4.417 212 G HA2 0.087 4.048 3.960 0.001 0.000 0.221 212 G HA3 0.087 4.048 3.960 0.001 0.000 0.221 212 G C -0.406 174.794 174.900 0.501 0.000 1.003 212 G CA 0.134 45.492 45.100 0.431 0.000 0.832 212 G HN 0.367 nan 8.290 nan 0.000 0.356 213 D N 1.481 122.057 120.400 0.293 0.000 2.443 213 D HA 0.616 5.256 4.640 0.001 0.000 0.221 213 D C 1.080 177.505 176.300 0.208 0.000 1.097 213 D CA 0.061 54.215 54.000 0.256 0.000 0.865 213 D CB 1.466 42.371 40.800 0.175 0.000 1.034 213 D HN 0.082 nan 8.370 nan 0.000 0.511 214 A N 4.004 126.962 122.820 0.230 0.000 2.140 214 A HA -0.087 4.234 4.320 0.001 0.000 0.209 214 A C 1.621 179.477 177.584 0.452 0.000 1.181 214 A CA -0.008 52.148 52.037 0.198 0.000 0.824 214 A CB -0.392 18.611 19.000 0.004 0.000 0.879 214 A HN 0.609 nan 8.150 nan 0.000 0.480 215 Y N 2.381 122.897 120.300 0.360 0.000 2.139 215 Y HA -0.338 4.212 4.550 0.001 0.000 0.282 215 Y C 2.506 178.487 175.900 0.135 0.000 1.179 215 Y CA 2.174 60.383 58.100 0.181 0.000 1.161 215 Y CB -0.698 37.773 38.460 0.018 0.000 0.970 215 Y HN 0.743 nan 8.280 nan 0.000 0.511 216 H N -2.275 116.810 119.070 0.026 0.000 2.518 216 H HA -0.062 4.495 4.556 0.001 0.000 0.289 216 H C 1.581 176.855 175.328 -0.089 0.000 1.051 216 H CA 1.545 57.514 56.048 -0.132 0.000 1.280 216 H CB -1.145 28.577 29.762 -0.067 0.000 1.380 216 H HN 0.300 nan 8.280 nan 0.000 0.566 217 T N 1.775 116.093 114.554 -0.395 0.000 2.720 217 T HA -0.146 4.204 4.350 0.001 0.000 0.268 217 T C 2.277 176.891 174.700 -0.142 0.000 1.037 217 T CA 1.912 63.872 62.100 -0.234 0.000 1.144 217 T CB -0.233 68.615 68.868 -0.033 0.000 0.864 217 T HN 0.340 nan 8.240 nan 0.000 0.444 218 M N -0.476 119.089 119.600 -0.059 0.000 2.149 218 M HA -0.068 4.412 4.480 0.001 0.000 0.261 218 M C 2.300 178.518 176.300 -0.136 0.000 1.064 218 M CA 1.585 56.849 55.300 -0.061 0.000 1.102 218 M CB -0.264 32.337 32.600 0.002 0.000 1.369 218 M HN 0.246 nan 8.290 nan 0.000 0.408 219 M N -0.846 118.634 119.600 -0.201 0.000 2.906 219 M HA 0.065 4.545 4.480 0.001 0.000 0.252 219 M C 2.002 178.155 176.300 -0.245 0.000 1.359 219 M CA 1.452 56.630 55.300 -0.204 0.000 1.239 219 M CB -0.243 32.229 32.600 -0.213 0.000 1.229 219 M HN -0.048 nan 8.290 nan 0.000 0.547 220 T N 0.424 114.783 114.554 -0.324 0.000 2.720 220 T HA -0.132 4.218 4.350 0.001 0.000 0.268 220 T C 0.865 175.232 174.700 -0.555 0.000 1.037 220 T CA 1.540 63.365 62.100 -0.460 0.000 1.144 220 T CB -0.462 68.058 68.868 -0.579 0.000 0.864 220 T HN 0.397 nan 8.240 nan 0.000 0.444 221 H N 0.171 119.091 119.070 -0.251 0.000 2.488 221 H HA 0.387 4.943 4.556 0.001 0.000 0.294 221 H C 1.764 176.883 175.328 -0.349 0.000 1.088 221 H CA -0.203 55.609 56.048 -0.393 0.000 1.086 221 H CB 0.144 29.607 29.762 -0.498 0.000 1.569 221 H HN 0.078 nan 8.280 nan 0.000 0.548 222 R N 1.799 122.189 120.500 -0.183 0.000 2.103 222 R HA -0.171 4.170 4.340 0.001 0.000 0.242 222 R C 2.190 178.394 176.300 -0.159 0.000 1.142 222 R CA 1.840 57.848 56.100 -0.153 0.000 0.960 222 R CB -0.427 29.792 30.300 -0.135 0.000 0.858 222 R HN 0.353 nan 8.270 nan 0.000 0.439 223 S N -0.476 115.116 115.700 -0.179 0.000 2.374 223 S HA -0.190 4.280 4.470 0.001 0.000 0.227 223 S C 1.899 176.373 174.600 -0.211 0.000 1.037 223 S CA 1.572 59.664 58.200 -0.179 0.000 1.024 223 S CB -0.298 62.792 63.200 -0.183 0.000 0.861 223 S HN 0.220 nan 8.310 nan 0.000 0.456 224 M N 1.153 120.562 119.600 -0.318 0.000 2.254 224 M HA 0.147 4.627 4.480 0.001 0.000 0.265 224 M C 2.320 178.504 176.300 -0.194 0.000 1.066 224 M CA 0.600 55.684 55.300 -0.361 0.000 1.123 224 M CB -1.529 30.542 32.600 -0.882 0.000 1.388 224 M HN 0.266 nan 8.290 nan 0.000 0.425 225 V N 0.671 120.480 119.914 -0.174 0.000 2.343 225 V HA -0.234 3.886 4.120 0.001 0.000 0.247 225 V C 2.244 178.296 176.094 -0.070 0.000 1.051 225 V CA 1.630 63.867 62.300 -0.104 0.000 1.036 225 V CB -0.636 31.127 31.823 -0.101 0.000 0.654 225 V HN 0.485 nan 8.190 nan 0.000 0.451 226 E N -0.081 120.069 120.200 -0.083 0.000 2.150 226 E HA -0.116 4.234 4.350 0.001 0.000 0.193 226 E C 2.068 178.641 176.600 -0.046 0.000 0.985 226 E CA 0.932 57.296 56.400 -0.061 0.000 0.814 226 E CB -0.103 29.554 29.700 -0.071 0.000 0.752 226 E HN 0.512 nan 8.360 nan 0.000 0.466 227 L N -0.342 120.846 121.223 -0.058 0.000 2.554 227 L HA 0.083 4.424 4.340 0.001 0.000 0.226 227 L C 1.415 178.305 176.870 0.032 0.000 1.137 227 L CA 0.556 55.381 54.840 -0.024 0.000 0.863 227 L CB -0.102 41.923 42.059 -0.057 0.000 0.985 227 L HN 0.302 nan 8.230 nan 0.000 0.451 228 G N -0.093 108.718 108.800 0.018 0.000 2.141 228 G HA2 -0.274 3.686 3.960 0.001 0.000 0.231 228 G HA3 -0.274 3.686 3.960 0.001 0.000 0.231 228 G C 0.576 175.521 174.900 0.076 0.000 0.984 228 G CA 0.233 45.360 45.100 0.044 0.000 0.660 228 G HN 0.283 nan 8.290 nan 0.000 0.525 229 L N 0.173 121.448 121.223 0.087 0.000 2.408 229 L HA 0.666 5.006 4.340 0.001 0.000 0.215 229 L C 1.841 178.868 176.870 0.260 0.000 1.081 229 L CA 1.397 56.346 54.840 0.182 0.000 0.840 229 L CB 0.121 42.315 42.059 0.225 0.000 1.002 229 L HN 0.502 nan 8.230 nan 0.000 0.468 230 A N -0.460 122.456 122.820 0.159 0.000 2.306 230 A HA 0.654 4.974 4.320 0.001 0.000 0.330 230 A C -2.404 175.157 177.584 -0.038 0.000 1.146 230 A CA -1.517 50.591 52.037 0.119 0.000 0.827 230 A CB -0.052 18.947 19.000 -0.001 0.000 1.178 230 A HN -0.129 nan 8.150 nan 0.000 0.490 231 P HA 0.112 nan 4.420 nan 0.000 0.263 231 P C -1.909 175.291 177.300 -0.167 0.000 1.195 231 P CA -0.696 62.295 63.100 -0.182 0.000 0.762 231 P CB 0.279 31.701 31.700 -0.465 0.000 0.799 232 P HA -0.041 nan 4.420 nan 0.000 0.227 232 P C 0.185 177.516 177.300 0.052 0.000 1.161 232 P CA 0.845 63.943 63.100 -0.004 0.000 0.788 232 P CB 0.266 31.977 31.700 0.018 0.000 0.822 233 D N 1.684 122.149 120.400 0.108 0.000 2.358 233 D HA 0.040 4.680 4.640 0.001 0.000 0.258 233 D C -1.342 175.139 176.300 0.302 0.000 1.223 233 D CA -2.049 52.071 54.000 0.200 0.000 0.886 233 D CB 0.928 41.880 40.800 0.255 0.000 1.120 233 D HN 0.025 nan 8.370 nan 0.000 0.482 234 P HA -0.106 nan 4.420 nan 0.000 0.225 234 P C 0.548 178.114 177.300 0.444 0.000 1.148 234 P CA 0.967 64.261 63.100 0.323 0.000 0.779 234 P CB 0.259 32.077 31.700 0.197 0.000 0.780 235 Q N -1.271 118.754 119.800 0.375 0.000 2.280 235 Q HA 0.088 4.429 4.340 0.001 0.000 0.201 235 Q C 1.479 177.609 176.000 0.218 0.000 0.890 235 Q CA -0.192 55.786 55.803 0.292 0.000 0.947 235 Q CB -0.418 28.445 28.738 0.209 0.000 1.081 235 Q HN 0.378 nan 8.270 nan 0.000 0.502 236 F N -0.474 119.599 119.950 0.204 0.000 2.192 236 F HA -0.178 4.350 4.527 0.001 0.000 0.301 236 F C 1.821 177.690 175.800 0.116 0.000 1.079 236 F CA 1.186 59.325 58.000 0.231 0.000 1.303 236 F CB -0.279 38.830 39.000 0.183 0.000 1.024 236 F HN -0.037 nan 8.300 nan 0.000 0.494 237 A N 0.967 123.040 122.820 -1.244 0.000 2.208 237 A HA 0.214 4.535 4.320 0.001 0.000 0.209 237 A C 2.113 179.216 177.584 -0.801 0.000 1.161 237 A CA 0.397 51.672 52.037 -1.270 0.000 0.782 237 A CB -0.944 16.952 19.000 -1.840 0.000 0.816 237 A HN 0.562 nan 8.150 nan 0.000 0.477 238 L N -1.528 119.292 121.223 -0.672 0.000 2.201 238 L HA -0.123 4.217 4.340 0.001 0.000 0.212 238 L C 0.396 176.960 176.870 -0.510 0.000 1.105 238 L CA 0.712 55.224 54.840 -0.547 0.000 0.775 238 L CB -0.481 41.236 42.059 -0.569 0.000 0.913 238 L HN 0.517 nan 8.230 nan 0.000 0.440 239 Y N 0.491 120.730 120.300 -0.101 0.000 2.735 239 Y HA 0.482 5.033 4.550 0.001 0.000 0.354 239 Y C 0.878 176.781 175.900 0.005 0.000 1.288 239 Y CA -0.311 57.782 58.100 -0.012 0.000 1.836 239 Y CB -0.210 38.272 38.460 0.037 0.000 1.920 239 Y HN 0.007 nan 8.280 nan 0.000 0.438 240 G N 0.179 109.009 108.800 0.050 0.000 2.489 240 G HA2 0.486 4.446 3.960 0.001 0.000 0.305 240 G HA3 0.486 4.446 3.960 0.001 0.000 0.305 240 G C -1.967 172.915 174.900 -0.031 0.000 1.311 240 G CA -0.848 44.283 45.100 0.052 0.000 0.813 240 G HN 0.087 nan 8.290 nan 0.000 0.480 241 E N -1.215 118.937 120.200 -0.080 0.000 2.292 241 E HA 0.582 4.932 4.350 0.001 0.000 0.272 241 E C -1.694 174.826 176.600 -0.133 0.000 0.881 241 E CA -0.736 55.512 56.400 -0.254 0.000 0.754 241 E CB 1.756 31.003 29.700 -0.755 0.000 1.201 241 E HN 0.591 nan 8.360 nan 0.000 0.425 242 H N 3.434 122.395 119.070 -0.180 0.000 2.595 242 H HA 0.575 5.132 4.556 0.001 0.000 0.313 242 H C -0.999 174.270 175.328 -0.099 0.000 1.023 242 H CA -0.360 55.652 56.048 -0.059 0.000 1.218 242 H CB 0.325 30.136 29.762 0.083 0.000 1.403 242 H HN 0.400 nan 8.280 nan 0.000 0.477 243 I N 5.882 126.280 120.570 -0.286 0.000 2.545 243 I HA 0.284 4.454 4.170 0.001 0.000 0.292 243 I C -0.562 175.452 176.117 -0.170 0.000 1.040 243 I CA -0.756 60.366 61.300 -0.297 0.000 1.068 243 I CB 1.662 39.371 38.000 -0.486 0.000 1.251 243 I HN 0.710 nan 8.210 nan 0.000 0.424 244 H N 2.465 121.445 119.070 -0.151 0.000 2.949 244 H HA 0.682 5.238 4.556 0.001 0.000 0.356 244 H C -1.709 173.590 175.328 -0.050 0.000 1.212 244 H CA -0.682 55.315 56.048 -0.085 0.000 1.136 244 H CB 2.253 31.986 29.762 -0.049 0.000 1.869 244 H HN 0.450 nan 8.280 nan 0.000 0.556 245 T N -0.371 114.226 114.554 0.071 0.000 2.838 245 T HA 0.488 4.838 4.350 0.001 0.000 0.292 245 T C 0.315 175.001 174.700 -0.024 0.000 1.113 245 T CA 0.049 62.151 62.100 0.005 0.000 1.008 245 T CB 1.602 70.532 68.868 0.104 0.000 1.259 245 T HN 0.861 nan 8.240 nan 0.000 0.520 246 G N -0.266 108.452 108.800 -0.137 0.000 2.699 246 G HA2 0.350 4.311 3.960 0.001 0.000 0.246 246 G HA3 0.350 4.311 3.960 0.001 0.000 0.246 246 G C -0.124 174.417 174.900 -0.598 0.000 1.219 246 G CA 0.060 44.932 45.100 -0.379 0.000 0.866 246 G HN 1.004 nan 8.290 nan 0.000 0.572 247 H N -0.918 117.547 119.070 -1.009 0.000 2.936 247 H HA -0.247 4.310 4.556 0.001 0.000 0.276 247 H C 1.861 176.095 175.328 -1.824 0.000 1.216 247 H CA 1.416 56.312 56.048 -1.921 0.000 1.132 247 H CB -1.511 27.321 29.762 -1.549 0.000 1.303 247 H HN 1.984 nan 8.280 nan 0.000 0.370 248 G N -0.326 107.881 108.800 -0.988 0.000 2.212 248 G HA2 -0.323 3.637 3.960 0.001 0.000 0.266 248 G HA3 -0.323 3.637 3.960 0.001 0.000 0.266 248 G C 0.148 175.039 174.900 -0.014 0.000 0.978 248 G CA 0.657 45.501 45.100 -0.426 0.000 0.632 248 G HN 0.712 nan 8.290 nan 0.000 0.537 249 H N 0.800 119.904 119.070 0.056 0.000 2.562 249 H HA 0.593 5.149 4.556 0.001 0.000 0.352 249 H C 0.759 176.175 175.328 0.147 0.000 1.125 249 H CA 0.600 56.748 56.048 0.166 0.000 1.379 249 H CB 1.342 31.149 29.762 0.076 0.000 1.464 249 H HN 0.759 nan 8.280 nan 0.000 0.563 250 G N 0.857 109.828 108.800 0.285 0.000 2.677 250 G HA2 0.525 4.486 3.960 0.001 0.000 0.291 250 G HA3 0.525 4.486 3.960 0.001 0.000 0.291 250 G C -1.353 173.560 174.900 0.021 0.000 1.435 250 G CA -0.880 44.288 45.100 0.113 0.000 0.826 250 G HN 0.660 nan 8.290 nan 0.000 0.491 251 L N -1.534 119.595 121.223 -0.156 0.000 2.479 251 L HA 1.037 5.378 4.340 0.001 0.000 0.255 251 L C -0.102 176.517 176.870 -0.419 0.000 1.026 251 L CA -1.086 53.602 54.840 -0.253 0.000 0.842 251 L CB 1.934 43.871 42.059 -0.204 0.000 1.444 251 L HN 0.966 nan 8.230 nan 0.000 0.409 252 G N 0.757 109.159 108.800 -0.663 0.000 2.481 252 G HA2 0.796 4.756 3.960 0.001 0.000 0.315 252 G HA3 0.796 4.756 3.960 0.001 0.000 0.315 252 G C -1.289 173.510 174.900 -0.168 0.000 1.231 252 G CA -0.782 44.074 45.100 -0.408 0.000 0.968 252 G HN 0.612 nan 8.290 nan 0.000 0.482 253 I N 1.474 122.064 120.570 0.033 0.000 2.478 253 I HA 0.394 4.564 4.170 0.001 0.000 0.287 253 I C -0.755 175.495 176.117 0.221 0.000 1.042 253 I CA -0.512 60.895 61.300 0.180 0.000 1.067 253 I CB 2.121 40.251 38.000 0.216 0.000 1.233 253 I HN 0.169 nan 8.210 nan 0.000 0.431 254 I N 4.732 125.496 120.570 0.323 0.000 2.465 254 I HA 0.664 4.835 4.170 0.001 0.000 0.291 254 I C 0.402 176.694 176.117 0.292 0.000 1.014 254 I CA -0.391 61.105 61.300 0.326 0.000 1.093 254 I CB 2.170 40.446 38.000 0.461 0.000 1.267 254 I HN 0.656 nan 8.210 nan 0.000 0.431 255 G N 5.401 114.340 108.800 0.231 0.000 2.788 255 G HA2 0.736 4.696 3.960 0.001 0.000 0.293 255 G HA3 0.736 4.696 3.960 0.001 0.000 0.293 255 G C -2.958 172.016 174.900 0.124 0.000 1.305 255 G CA -1.337 43.844 45.100 0.134 0.000 1.005 255 G HN 0.305 nan 8.290 nan 0.000 0.496 256 P HA 0.300 nan 4.420 nan 0.000 0.274 256 P C -2.501 174.669 177.300 -0.218 0.000 1.246 256 P CA -1.087 61.982 63.100 -0.051 0.000 0.795 256 P CB 0.823 32.486 31.700 -0.062 0.000 1.006 257 P HA 0.198 nan 4.420 nan 0.000 0.274 257 P C -1.985 175.117 177.300 -0.329 0.000 1.246 257 P CA -1.537 61.071 63.100 -0.821 0.000 0.795 257 P CB -0.732 30.480 31.700 -0.814 0.000 1.006 258 P HA -0.119 nan 4.420 nan 0.000 0.216 258 P C 1.248 178.510 177.300 -0.062 0.000 1.150 258 P CA 1.854 64.910 63.100 -0.072 0.000 0.843 258 P CB -0.405 31.293 31.700 -0.005 0.000 0.787 259 G N -1.654 107.103 108.800 -0.072 0.000 3.496 259 G HA2 0.261 4.221 3.960 0.001 0.000 0.273 259 G HA3 0.261 4.221 3.960 0.001 0.000 0.273 259 G C 0.112 174.983 174.900 -0.048 0.000 1.279 259 G CA -0.015 45.059 45.100 -0.043 0.000 1.041 259 G HN 0.176 nan 8.290 nan 0.000 0.539 260 M N 1.491 121.053 119.600 -0.064 0.000 2.134 260 M HA 0.278 4.758 4.480 0.001 0.000 0.249 260 M C -2.950 173.320 176.300 -0.051 0.000 0.955 260 M CA -1.557 53.712 55.300 -0.052 0.000 1.037 260 M CB 3.030 35.594 32.600 -0.061 0.000 2.110 260 M HN -0.116 nan 8.290 nan 0.000 0.449 261 P HA 0.444 nan 4.420 nan 0.000 0.282 261 P C -1.314 175.965 177.300 -0.036 0.000 1.262 261 P CA -0.214 62.862 63.100 -0.039 0.000 0.773 261 P CB 0.785 32.468 31.700 -0.028 0.000 0.879 262 L N 4.786 125.979 121.223 -0.051 0.000 2.370 262 L HA 0.499 4.839 4.340 0.001 0.000 0.266 262 L C -2.092 174.741 176.870 -0.061 0.000 1.002 262 L CA -2.460 52.352 54.840 -0.047 0.000 0.818 262 L CB 1.737 43.760 42.059 -0.060 0.000 1.325 262 L HN 0.184 nan 8.230 nan 0.000 0.418 263 P HA 0.007 nan 4.420 nan 0.000 0.263 263 P C -0.617 176.622 177.300 -0.102 0.000 1.175 263 P CA 0.129 63.209 63.100 -0.033 0.000 0.761 263 P CB 0.361 32.075 31.700 0.023 0.000 0.794 264 E N 1.639 121.747 120.200 -0.154 0.000 2.422 264 E HA 0.051 4.401 4.350 0.001 0.000 0.260 264 E C -0.055 176.359 176.600 -0.309 0.000 1.108 264 E CA -0.189 55.980 56.400 -0.385 0.000 0.943 264 E CB -0.082 29.290 29.700 -0.548 0.000 0.961 264 E HN 0.360 nan 8.360 nan 0.000 0.443 265 F N 0.743 120.511 119.950 -0.304 0.000 3.067 265 F HA -0.298 4.229 4.527 0.001 0.000 0.279 265 F C 0.765 176.336 175.800 -0.381 0.000 0.945 265 F CA 0.336 58.029 58.000 -0.511 0.000 0.948 265 F CB -1.747 37.156 39.000 -0.162 0.000 0.898 265 F HN 0.609 nan 8.300 nan 0.000 0.746 266 M N -1.124 118.323 119.600 -0.255 0.000 2.762 266 M HA -0.285 4.195 4.480 0.001 0.000 0.190 266 M C 1.277 177.615 176.300 0.063 0.000 0.586 266 M CA 1.371 56.624 55.300 -0.078 0.000 0.620 266 M CB -1.939 30.668 32.600 0.011 0.000 2.269 266 M HN 1.169 nan 8.290 nan 0.000 0.563 267 G N 0.838 109.674 108.800 0.060 0.000 2.225 267 G HA2 -0.274 3.686 3.960 0.001 0.000 0.267 267 G HA3 -0.274 3.686 3.960 0.001 0.000 0.267 267 G C 0.070 175.057 174.900 0.145 0.000 1.024 267 G CA 0.479 45.654 45.100 0.125 0.000 0.784 267 G HN 0.563 nan 8.290 nan 0.000 0.507 268 L N 0.290 121.567 121.223 0.090 0.000 2.499 268 L HA 0.229 4.570 4.340 0.001 0.000 0.281 268 L C -1.157 175.605 176.870 -0.181 0.000 1.234 268 L CA -1.504 53.265 54.840 -0.118 0.000 0.839 268 L CB 0.152 42.186 42.059 -0.042 0.000 1.104 268 L HN -0.006 nan 8.230 nan 0.000 0.500 269 P HA 0.013 nan 4.420 nan 0.000 0.268 269 P C 0.024 177.259 177.300 -0.109 0.000 1.208 269 P CA -0.138 62.825 63.100 -0.228 0.000 0.777 269 P CB 0.557 32.011 31.700 -0.411 0.000 0.875 270 E N 1.672 121.866 120.200 -0.009 0.000 2.097 270 E HA -0.266 4.084 4.350 0.001 0.000 0.196 270 E C 1.688 178.262 176.600 -0.043 0.000 1.000 270 E CA 1.837 58.236 56.400 -0.001 0.000 0.804 270 E CB -0.489 29.233 29.700 0.037 0.000 0.740 270 E HN 0.559 nan 8.360 nan 0.000 0.454 271 N N 0.748 119.416 118.700 -0.052 0.000 2.244 271 N HA -0.145 4.596 4.740 0.001 0.000 0.183 271 N C 1.524 176.974 175.510 -0.099 0.000 1.016 271 N CA 1.010 54.021 53.050 -0.064 0.000 0.866 271 N CB -0.093 38.364 38.487 -0.050 0.000 0.980 271 N HN 0.143 nan 8.380 nan 0.000 0.430 272 I N 1.106 121.597 120.570 -0.133 0.000 2.353 272 I HA -0.077 4.093 4.170 0.001 0.000 0.248 272 I C 2.413 178.433 176.117 -0.161 0.000 1.119 272 I CA 0.322 61.531 61.300 -0.152 0.000 1.417 272 I CB -1.059 36.826 38.000 -0.191 0.000 1.078 272 I HN -0.056 nan 8.210 nan 0.000 0.421 273 V N 0.821 120.637 119.914 -0.163 0.000 2.295 273 V HA -0.261 3.859 4.120 0.001 0.000 0.246 273 V C 2.530 178.475 176.094 -0.248 0.000 1.049 273 V CA 1.675 63.821 62.300 -0.256 0.000 1.024 273 V CB -0.589 31.131 31.823 -0.170 0.000 0.648 273 V HN 0.400 nan 8.190 nan 0.000 0.447 274 E N -0.131 119.980 120.200 -0.147 0.000 2.065 274 E HA -0.294 4.056 4.350 0.001 0.000 0.201 274 E C 2.273 178.797 176.600 -0.126 0.000 1.016 274 E CA 2.011 58.343 56.400 -0.113 0.000 0.818 274 E CB -0.123 29.533 29.700 -0.074 0.000 0.749 274 E HN 0.707 nan 8.360 nan 0.000 0.453 275 E N 0.222 120.346 120.200 -0.127 0.000 2.072 275 E HA -0.205 4.145 4.350 0.001 0.000 0.191 275 E C 2.350 178.861 176.600 -0.148 0.000 0.985 275 E CA 1.135 57.461 56.400 -0.122 0.000 0.801 275 E CB -0.241 29.392 29.700 -0.111 0.000 0.750 275 E HN 0.232 nan 8.360 nan 0.000 0.452 276 L N 0.463 121.573 121.223 -0.188 0.000 2.083 276 L HA -0.119 4.221 4.340 0.001 0.000 0.209 276 L C 1.809 178.555 176.870 -0.207 0.000 1.083 276 L CA 1.789 56.501 54.840 -0.213 0.000 0.752 276 L CB -0.528 41.384 42.059 -0.244 0.000 0.899 276 L HN -0.072 nan 8.230 nan 0.000 0.433 277 E N 0.070 120.132 120.200 -0.229 0.000 2.265 277 E HA -0.219 4.132 4.350 0.001 0.000 0.196 277 E C 2.172 178.708 176.600 -0.107 0.000 0.996 277 E CA 1.159 57.459 56.400 -0.165 0.000 0.832 277 E CB -0.116 29.492 29.700 -0.153 0.000 0.756 277 E HN 0.651 nan 8.360 nan 0.000 0.491 278 R N 0.462 120.897 120.500 -0.109 0.000 2.282 278 R HA 0.107 4.447 4.340 0.001 0.000 0.195 278 R C 1.752 177.996 176.300 -0.093 0.000 0.909 278 R CA 0.127 56.175 56.100 -0.086 0.000 1.039 278 R CB 0.341 30.596 30.300 -0.075 0.000 1.015 278 R HN -0.038 nan 8.270 nan 0.000 0.513 279 R N 0.018 120.450 120.500 -0.114 0.000 2.189 279 R HA 0.255 4.595 4.340 0.001 0.000 0.203 279 R C 0.304 176.525 176.300 -0.132 0.000 1.012 279 R CA 0.290 56.318 56.100 -0.120 0.000 1.015 279 R CB 0.269 30.490 30.300 -0.133 0.000 0.938 279 R HN 0.107 nan 8.270 nan 0.000 0.472 280 L N 0.969 122.107 121.223 -0.143 0.000 2.344 280 L HA 0.272 4.612 4.340 0.001 0.000 0.272 280 L C 0.664 177.457 176.870 -0.127 0.000 1.035 280 L CA -0.887 53.855 54.840 -0.164 0.000 0.807 280 L CB 1.610 43.557 42.059 -0.187 0.000 1.237 280 L HN 0.082 nan 8.230 nan 0.000 0.442 281 T N -2.021 112.448 114.554 -0.141 0.000 2.856 281 T HA 0.142 4.492 4.350 0.001 0.000 0.306 281 T C -1.931 172.734 174.700 -0.057 0.000 1.062 281 T CA -1.327 60.721 62.100 -0.086 0.000 1.083 281 T CB 0.877 69.706 68.868 -0.065 0.000 0.984 281 T HN 0.363 nan 8.240 nan 0.000 0.542 282 P HA -0.074 nan 4.420 nan 0.000 0.217 282 P C 1.212 178.522 177.300 0.016 0.000 1.148 282 P CA 1.057 64.159 63.100 0.004 0.000 0.828 282 P CB 0.037 31.739 31.700 0.005 0.000 0.783 283 E N -0.550 119.662 120.200 0.020 0.000 2.072 283 E HA -0.180 4.171 4.350 0.001 0.000 0.191 283 E C 2.170 178.815 176.600 0.075 0.000 0.985 283 E CA 1.134 57.570 56.400 0.061 0.000 0.801 283 E CB -0.647 29.135 29.700 0.135 0.000 0.750 283 E HN 0.388 nan 8.360 nan 0.000 0.452 284 Q N -0.020 119.731 119.800 -0.082 0.000 2.083 284 Q HA -0.088 4.253 4.340 0.001 0.000 0.198 284 Q C 2.282 178.285 176.000 0.005 0.000 0.969 284 Q CA 1.163 56.819 55.803 -0.245 0.000 0.838 284 Q CB 0.013 28.433 28.738 -0.529 0.000 0.900 284 Q HN 0.150 nan 8.270 nan 0.000 0.436 285 V N 1.403 121.347 119.914 0.049 0.000 2.287 285 V HA -0.252 3.869 4.120 0.001 0.000 0.248 285 V C 2.051 178.318 176.094 0.289 0.000 1.053 285 V CA 1.815 64.241 62.300 0.209 0.000 1.027 285 V CB -0.398 31.514 31.823 0.148 0.000 0.646 285 V HN 0.316 nan 8.190 nan 0.000 0.447 286 E N -0.472 119.819 120.200 0.150 0.000 2.216 286 E HA -0.004 4.346 4.350 0.001 0.000 0.192 286 E C 2.099 178.755 176.600 0.093 0.000 0.988 286 E CA 0.760 57.217 56.400 0.096 0.000 0.834 286 E CB -0.153 29.567 29.700 0.034 0.000 0.772 286 E HN 0.587 nan 8.360 nan 0.000 0.479 287 I N 0.172 120.816 120.570 0.123 0.000 2.252 287 I HA -0.241 3.929 4.170 0.001 0.000 0.245 287 I C 2.160 178.470 176.117 0.323 0.000 1.102 287 I CA 0.788 62.207 61.300 0.198 0.000 1.385 287 I CB -0.191 37.956 38.000 0.245 0.000 1.064 287 I HN -0.000 nan 8.210 nan 0.000 0.414 288 F N 1.763 121.813 119.950 0.167 0.000 2.234 288 F HA -0.129 4.399 4.527 0.001 0.000 0.299 288 F C 2.597 178.475 175.800 0.129 0.000 1.087 288 F CA 1.243 59.359 58.000 0.192 0.000 1.340 288 F CB -0.491 38.648 39.000 0.230 0.000 1.031 288 F HN -0.109 nan 8.300 nan 0.000 0.500 289 R N 0.755 121.227 120.500 -0.046 0.000 2.112 289 R HA -0.170 4.171 4.340 0.001 0.000 0.242 289 R C -1.056 174.917 176.300 -0.545 0.000 1.137 289 R CA 2.095 57.824 56.100 -0.618 0.000 0.944 289 R CB -1.598 28.401 30.300 -0.501 0.000 0.857 289 R HN 0.209 nan 8.270 nan 0.000 0.435 290 P HA 0.155 nan 4.420 nan 0.000 0.263 290 P C -0.766 176.458 177.300 -0.126 0.000 1.448 290 P CA 0.084 63.074 63.100 -0.182 0.000 0.983 290 P CB 0.572 32.229 31.700 -0.070 0.000 1.481 291 T N 0.608 115.062 114.554 -0.166 0.000 2.916 291 T HA 0.311 4.662 4.350 0.001 0.000 0.303 291 T C 1.366 175.985 174.700 -0.134 0.000 1.025 291 T CA 0.557 62.619 62.100 -0.064 0.000 1.142 291 T CB 1.062 69.928 68.868 -0.002 0.000 0.947 291 T HN 0.032 nan 8.240 nan 0.000 0.544 292 A N 3.121 125.873 122.820 -0.112 0.000 2.026 292 A HA 0.532 4.852 4.320 0.001 0.000 0.198 292 A C 0.036 177.277 177.584 -0.571 0.000 1.390 292 A CA 0.059 51.862 52.037 -0.390 0.000 0.915 292 A CB 0.533 19.221 19.000 -0.519 0.000 0.974 292 A HN 0.678 nan 8.150 nan 0.000 0.477 293 F N -0.435 119.668 119.950 0.256 0.000 2.561 293 F HA 0.651 5.178 4.527 0.001 0.000 0.313 293 F C -0.666 175.378 175.800 0.407 0.000 1.126 293 F CA -0.668 57.573 58.000 0.401 0.000 0.918 293 F CB 1.909 41.125 39.000 0.360 0.000 1.199 293 F HN -0.120 nan 8.300 nan 0.000 0.444 294 I N 2.949 123.874 120.570 0.591 0.000 2.466 294 I HA 0.420 4.591 4.170 0.001 0.000 0.289 294 I C -1.123 175.250 176.117 0.426 0.000 1.026 294 I CA -0.709 60.823 61.300 0.388 0.000 1.078 294 I CB 1.997 40.145 38.000 0.246 0.000 1.249 294 I HN 0.708 nan 8.210 nan 0.000 0.429 295 H N 3.318 122.606 119.070 0.363 0.000 2.806 295 H HA 0.944 5.500 4.556 0.001 0.000 0.367 295 H C -0.689 174.824 175.328 0.308 0.000 1.136 295 H CA -0.952 55.332 56.048 0.393 0.000 1.178 295 H CB 2.045 32.062 29.762 0.425 0.000 1.718 295 H HN 0.747 nan 8.280 nan 0.000 0.540 296 G N 0.353 109.370 108.800 0.361 0.000 2.506 296 G HA2 0.492 4.452 3.960 0.001 0.000 0.292 296 G HA3 0.492 4.452 3.960 0.001 0.000 0.292 296 G C -1.570 173.542 174.900 0.354 0.000 1.425 296 G CA -0.920 44.331 45.100 0.252 0.000 0.788 296 G HN 0.703 nan 8.290 nan 0.000 0.490 297 T N 0.347 115.101 114.554 0.332 0.000 2.841 297 T HA 0.495 4.846 4.350 0.001 0.000 0.285 297 T C -0.338 174.627 174.700 0.441 0.000 0.991 297 T CA -0.331 62.012 62.100 0.405 0.000 0.966 297 T CB 1.718 70.847 68.868 0.435 0.000 0.962 297 T HN 0.547 nan 8.240 nan 0.000 0.438 298 V N 4.562 124.723 119.914 0.412 0.000 2.372 298 V HA 0.279 4.399 4.120 0.001 0.000 0.261 298 V C 0.272 176.801 176.094 0.725 0.000 1.055 298 V CA -0.825 61.747 62.300 0.453 0.000 0.930 298 V CB -0.537 31.480 31.823 0.324 0.000 1.031 298 V HN 0.849 nan 8.190 nan 0.000 0.479 299 F N 9.575 130.012 119.950 0.813 0.000 2.629 299 F HA 0.122 4.650 4.527 0.001 0.000 0.377 299 F C -0.912 175.299 175.800 0.685 0.000 1.101 299 F CA -0.866 57.516 58.000 0.636 0.000 1.301 299 F CB 1.048 40.207 39.000 0.264 0.000 1.062 299 F HN 0.387 nan 8.300 nan 0.000 0.583 300 P HA -0.077 nan 4.420 nan 0.000 0.216 300 P C -0.191 177.329 177.300 0.367 0.000 1.154 300 P CA 1.236 64.023 63.100 -0.521 0.000 0.857 300 P CB 0.162 31.399 31.700 -0.771 0.000 0.787 301 N N -1.078 117.871 118.700 0.415 0.000 2.307 301 N HA 0.124 4.864 4.740 0.001 0.000 0.248 301 N C -0.611 175.153 175.510 0.423 0.000 1.322 301 N CA -0.340 53.061 53.050 0.586 0.000 0.861 301 N CB -0.420 38.292 38.487 0.375 0.000 1.303 301 N HN 0.036 nan 8.380 nan 0.000 0.498 302 L N 0.966 122.407 121.223 0.364 0.000 2.272 302 L HA 0.624 4.964 4.340 0.001 0.000 0.289 302 L C -0.605 176.356 176.870 0.151 0.000 1.032 302 L CA -0.007 54.922 54.840 0.147 0.000 0.810 302 L CB 1.481 43.618 42.059 0.131 0.000 1.205 302 L HN 0.031 nan 8.230 nan 0.000 0.422 303 S N 5.241 120.918 115.700 -0.039 0.000 2.607 303 S HA 0.742 5.212 4.470 0.001 0.000 0.303 303 S C -0.585 173.956 174.600 -0.097 0.000 1.086 303 S CA -0.528 57.697 58.200 0.042 0.000 0.995 303 S CB 1.542 64.796 63.200 0.089 0.000 1.084 303 S HN 0.535 nan 8.310 nan 0.000 0.507 304 I N 1.253 121.866 120.570 0.071 0.000 2.498 304 I HA 0.590 4.760 4.170 0.001 0.000 0.290 304 I C 0.100 176.300 176.117 0.138 0.000 1.032 304 I CA -0.593 60.723 61.300 0.026 0.000 1.073 304 I CB 2.200 40.217 38.000 0.028 0.000 1.251 304 I HN 0.737 nan 8.210 nan 0.000 0.426 305 G N 3.719 112.453 108.800 -0.110 0.000 2.702 305 G HA2 0.341 4.301 3.960 0.001 0.000 0.295 305 G HA3 0.341 4.301 3.960 0.001 0.000 0.295 305 G C -1.324 173.068 174.900 -0.847 0.000 1.446 305 G CA -0.499 44.203 45.100 -0.664 0.000 0.983 305 G HN 0.704 nan 8.290 nan 0.000 0.520 306 N N 2.520 120.784 118.700 -0.727 0.000 2.626 306 N HA 0.549 5.289 4.740 0.001 0.000 0.242 306 N C -1.032 174.326 175.510 -0.252 0.000 1.005 306 N CA -0.501 52.303 53.050 -0.409 0.000 0.905 306 N CB 0.803 39.244 38.487 -0.077 0.000 1.128 306 N HN 0.316 nan 8.380 nan 0.000 0.512 307 F N 2.073 121.751 119.950 -0.454 0.000 2.563 307 F HA 0.434 4.961 4.527 0.001 0.000 0.316 307 F C -0.144 175.430 175.800 -0.377 0.000 1.076 307 F CA -1.176 56.632 58.000 -0.320 0.000 0.921 307 F CB 2.120 40.941 39.000 -0.298 0.000 1.209 307 F HN 0.055 nan 8.300 nan 0.000 0.462 308 L N 3.897 125.093 121.223 -0.045 0.000 2.262 308 L HA 0.613 4.953 4.340 0.001 0.000 0.288 308 L C -1.176 175.792 176.870 0.163 0.000 1.035 308 L CA -0.280 54.557 54.840 -0.004 0.000 0.820 308 L CB 1.242 43.196 42.059 -0.174 0.000 1.204 308 L HN 0.792 nan 8.230 nan 0.000 0.424 309 M N 2.507 122.291 119.600 0.305 0.000 2.465 309 M HA 0.456 4.936 4.480 0.001 0.000 0.284 309 M C -0.202 176.270 176.300 0.286 0.000 1.212 309 M CA -0.279 55.233 55.300 0.354 0.000 0.910 309 M CB 2.287 35.199 32.600 0.520 0.000 1.725 309 M HN 0.509 nan 8.290 nan 0.000 0.477 310 G N 1.535 110.468 108.800 0.220 0.000 2.483 310 G HA2 0.258 4.218 3.960 0.001 0.000 0.248 310 G HA3 0.258 4.218 3.960 0.001 0.000 0.248 310 G C 0.290 175.269 174.900 0.132 0.000 1.248 310 G CA -0.411 44.782 45.100 0.156 0.000 0.838 310 G HN 0.911 nan 8.290 nan 0.000 0.566 311 K N -0.080 120.365 120.400 0.075 0.000 2.459 311 K HA 0.130 4.451 4.320 0.001 0.000 0.193 311 K C -0.131 176.480 176.600 0.018 0.000 1.030 311 K CA 0.773 57.068 56.287 0.013 0.000 1.026 311 K CB 0.067 32.550 32.500 -0.028 0.000 0.809 311 K HN 0.596 nan 8.250 nan 0.000 0.504 312 D N -1.594 118.840 120.400 0.058 0.000 2.738 312 D HA -0.054 4.586 4.640 0.001 0.000 0.308 312 D C 0.544 176.924 176.300 0.134 0.000 1.311 312 D CA -0.779 53.284 54.000 0.106 0.000 0.799 312 D CB -0.013 40.838 40.800 0.085 0.000 1.332 312 D HN 0.079 nan 8.370 nan 0.000 0.441 313 H N -0.331 118.743 119.070 0.007 0.000 2.561 313 H HA 0.126 4.683 4.556 0.001 0.000 0.278 313 H C 0.756 176.092 175.328 0.014 0.000 1.014 313 H CA 0.650 56.705 56.048 0.010 0.000 1.211 313 H CB -0.232 29.526 29.762 -0.006 0.000 1.365 313 H HN 0.365 nan 8.280 nan 0.000 0.594 314 L N 0.156 121.192 121.223 -0.311 0.000 2.766 314 L HA 0.271 4.611 4.340 0.001 0.000 0.242 314 L C 0.001 176.809 176.870 -0.102 0.000 1.136 314 L CA -0.169 54.516 54.840 -0.259 0.000 0.933 314 L CB 0.605 42.443 42.059 -0.368 0.000 1.241 314 L HN -0.032 nan 8.230 nan 0.000 0.522 315 S N 0.547 116.221 115.700 -0.043 0.000 2.503 315 S HA 0.699 5.169 4.470 0.001 0.000 0.301 315 S C 0.160 174.783 174.600 0.039 0.000 1.087 315 S CA -0.712 57.488 58.200 0.001 0.000 1.042 315 S CB 2.168 65.375 63.200 0.012 0.000 1.043 315 S HN 0.167 nan 8.310 nan 0.000 0.489 316 A N 4.039 126.887 122.820 0.047 0.000 2.531 316 A HA 0.442 4.763 4.320 0.001 0.000 0.236 316 A C -2.125 175.519 177.584 0.100 0.000 1.062 316 A CA -0.756 51.322 52.037 0.069 0.000 0.760 316 A CB -0.686 18.354 19.000 0.068 0.000 0.995 316 A HN 0.531 nan 8.150 nan 0.000 0.501 317 P HA 0.286 nan 4.420 nan 0.000 0.275 317 P C -0.198 177.206 177.300 0.173 0.000 1.228 317 P CA 0.111 63.300 63.100 0.148 0.000 0.786 317 P CB 1.069 32.850 31.700 0.135 0.000 0.927 318 T N -0.658 114.020 114.554 0.205 0.000 2.906 318 T HA 0.663 5.013 4.350 0.001 0.000 0.295 318 T C -0.581 174.283 174.700 0.274 0.000 1.061 318 T CA -0.798 61.438 62.100 0.228 0.000 1.000 318 T CB 1.164 70.131 68.868 0.164 0.000 1.103 318 T HN 0.442 nan 8.240 nan 0.000 0.486 319 A N 2.855 125.855 122.820 0.300 0.000 2.407 319 A HA 0.688 5.009 4.320 0.001 0.000 0.248 319 A C -0.326 177.474 177.584 0.361 0.000 1.082 319 A CA -0.510 51.694 52.037 0.277 0.000 0.785 319 A CB -0.479 18.712 19.000 0.318 0.000 1.020 319 A HN 1.136 nan 8.150 nan 0.000 0.489 320 F N 0.214 120.319 119.950 0.258 0.000 2.613 320 F HA 0.717 5.244 4.527 0.001 0.000 0.310 320 F C -1.416 174.468 175.800 0.141 0.000 1.085 320 F CA -1.613 56.557 58.000 0.283 0.000 0.945 320 F CB 1.379 40.653 39.000 0.457 0.000 1.298 320 F HN 0.462 nan 8.300 nan 0.000 0.455 321 L N 2.200 123.540 121.223 0.195 0.000 2.333 321 L HA 0.786 5.127 4.340 0.001 0.000 0.280 321 L C -0.687 176.191 176.870 0.013 0.000 1.004 321 L CA 0.022 54.844 54.840 -0.029 0.000 0.820 321 L CB 1.759 43.734 42.059 -0.141 0.000 1.247 321 L HN 1.003 nan 8.230 nan 0.000 0.416 322 T N 5.676 120.243 114.554 0.021 0.000 2.893 322 T HA 0.657 5.007 4.350 0.001 0.000 0.293 322 T C -1.201 173.462 174.700 -0.062 0.000 1.027 322 T CA -0.551 61.565 62.100 0.027 0.000 0.988 322 T CB 0.714 69.747 68.868 0.275 0.000 1.043 322 T HN 0.546 nan 8.240 nan 0.000 0.461 323 L N 5.328 126.509 121.223 -0.070 0.000 2.346 323 L HA 0.778 5.118 4.340 0.001 0.000 0.274 323 L C -0.214 176.629 176.870 -0.045 0.000 1.007 323 L CA -1.173 53.560 54.840 -0.179 0.000 0.818 323 L CB 1.837 43.651 42.059 -0.408 0.000 1.284 323 L HN 0.694 nan 8.230 nan 0.000 0.424 324 R N 3.310 123.677 120.500 -0.221 0.000 2.626 324 R HA 0.581 4.921 4.340 0.001 0.000 0.274 324 R C -1.773 174.249 176.300 -0.463 0.000 1.031 324 R CA -0.821 55.110 56.100 -0.282 0.000 0.898 324 R CB 1.745 31.691 30.300 -0.591 0.000 1.222 324 R HN 0.508 nan 8.270 nan 0.000 0.455 325 L N 1.871 122.943 121.223 -0.252 0.000 2.289 325 L HA 0.445 4.786 4.340 0.001 0.000 0.285 325 L C -0.520 176.139 176.870 -0.351 0.000 1.049 325 L CA -0.732 53.999 54.840 -0.181 0.000 0.804 325 L CB 1.004 43.152 42.059 0.149 0.000 1.195 325 L HN 0.574 nan 8.230 nan 0.000 0.428 326 W N 3.161 124.564 121.300 0.171 0.000 2.228 326 W HA 0.244 4.904 4.660 0.001 0.000 0.364 326 W C 0.472 177.069 176.519 0.129 0.000 0.917 326 W CA -0.563 56.883 57.345 0.167 0.000 1.513 326 W CB -0.132 29.488 29.460 0.267 0.000 1.494 326 W HN 0.415 nan 8.180 nan 0.000 0.346 327 H N 5.332 124.474 119.070 0.119 0.000 2.800 327 H HA 0.111 4.668 4.556 0.001 0.000 0.291 327 H C -1.988 173.293 175.328 -0.078 0.000 1.076 327 H CA -1.811 54.206 56.048 -0.052 0.000 1.452 327 H CB 1.286 30.994 29.762 -0.090 0.000 1.461 327 H HN 0.049 nan 8.280 nan 0.000 0.488 328 P HA 0.014 nan 4.420 nan 0.000 0.276 328 P C 0.376 177.428 177.300 -0.413 0.000 1.264 328 P CA 0.077 62.904 63.100 -0.455 0.000 0.769 328 P CB 1.039 32.285 31.700 -0.757 0.000 0.840 329 L N 2.027 123.172 121.223 -0.131 0.000 2.537 329 L HA 0.412 4.752 4.340 0.001 0.000 0.224 329 L C 1.279 178.089 176.870 -0.100 0.000 1.065 329 L CA 0.554 55.334 54.840 -0.101 0.000 0.860 329 L CB 0.118 42.145 42.059 -0.053 0.000 1.086 329 L HN 0.543 nan 8.230 nan 0.000 0.482 330 G N -1.534 107.124 108.800 -0.237 0.000 2.441 330 G HA2 0.213 4.173 3.960 0.001 0.000 0.294 330 G HA3 0.213 4.173 3.960 0.001 0.000 0.294 330 G C -2.583 171.917 174.900 -0.667 0.000 1.393 330 G CA -0.364 44.347 45.100 -0.648 0.000 0.796 330 G HN -0.394 nan 8.290 nan 0.000 0.494 331 P HA -0.000 nan 4.420 nan 0.000 0.219 331 P C 0.436 177.720 177.300 -0.026 0.000 1.146 331 P CA 1.822 64.851 63.100 -0.117 0.000 0.808 331 P CB 0.152 31.839 31.700 -0.021 0.000 0.779 332 D N -2.237 118.130 120.400 -0.055 0.000 2.571 332 D HA 0.194 4.835 4.640 0.001 0.000 0.239 332 D C 0.174 176.482 176.300 0.014 0.000 1.267 332 D CA -0.393 53.605 54.000 -0.002 0.000 0.823 332 D CB 0.098 40.899 40.800 0.002 0.000 1.056 332 D HN 0.075 nan 8.370 nan 0.000 0.494 333 K N 0.493 120.899 120.400 0.010 0.000 2.542 333 K HA 0.584 4.904 4.320 0.001 0.000 0.259 333 K C -1.485 175.152 176.600 0.061 0.000 0.932 333 K CA -0.730 55.577 56.287 0.032 0.000 0.820 333 K CB 2.080 34.581 32.500 0.001 0.000 1.345 333 K HN 0.173 nan 8.250 nan 0.000 0.432 334 M N 0.194 119.842 119.600 0.081 0.000 2.622 334 M HA 0.497 4.977 4.480 0.001 0.000 0.276 334 M C -1.531 174.798 176.300 0.048 0.000 1.265 334 M CA -0.817 54.539 55.300 0.094 0.000 0.850 334 M CB 2.218 34.941 32.600 0.206 0.000 1.720 334 M HN 0.495 nan 8.290 nan 0.000 0.465 335 E N 1.479 121.710 120.200 0.052 0.000 2.145 335 E HA 0.560 4.911 4.350 0.001 0.000 0.270 335 E C -1.669 174.883 176.600 -0.080 0.000 0.906 335 E CA -0.849 55.537 56.400 -0.024 0.000 0.761 335 E CB 1.901 31.613 29.700 0.019 0.000 1.116 335 E HN 0.638 nan 8.360 nan 0.000 0.408 336 V N 5.924 125.614 119.914 -0.372 0.000 2.583 336 V HA 0.229 4.350 4.120 0.001 0.000 0.287 336 V C 0.319 176.201 176.094 -0.354 0.000 1.051 336 V CA 0.019 62.038 62.300 -0.470 0.000 1.010 336 V CB 1.130 32.319 31.823 -1.056 0.000 0.988 336 V HN 0.774 nan 8.190 nan 0.000 0.478 337 M N 4.251 123.727 119.600 -0.207 0.000 2.023 337 M HA 0.328 4.808 4.480 0.001 0.000 0.325 337 M C -0.278 175.925 176.300 -0.161 0.000 0.963 337 M CA 0.061 55.262 55.300 -0.165 0.000 0.928 337 M CB 1.578 34.125 32.600 -0.088 0.000 1.429 337 M HN 0.578 nan 8.290 nan 0.000 0.404 338 S N 3.594 119.267 115.700 -0.045 0.000 2.438 338 S HA 0.663 5.133 4.470 0.001 0.000 0.316 338 S C -1.009 173.611 174.600 0.033 0.000 1.084 338 S CA -0.532 57.755 58.200 0.145 0.000 1.107 338 S CB 0.281 63.778 63.200 0.495 0.000 0.981 338 S HN 0.444 nan 8.310 nan 0.000 0.466 339 F N 4.367 124.362 119.950 0.075 0.000 2.404 339 F HA 0.494 5.021 4.527 0.001 0.000 0.339 339 F C -0.063 175.660 175.800 -0.127 0.000 1.105 339 F CA -1.076 56.929 58.000 0.009 0.000 1.087 339 F CB 0.885 39.867 39.000 -0.031 0.000 1.143 339 F HN 0.562 nan 8.300 nan 0.000 0.491 340 F N 4.425 124.258 119.950 -0.195 0.000 2.415 340 F HA 0.722 5.249 4.527 0.001 0.000 0.348 340 F C -1.553 174.151 175.800 -0.159 0.000 1.119 340 F CA -0.875 56.880 58.000 -0.409 0.000 1.069 340 F CB 0.590 39.250 39.000 -0.567 0.000 1.124 340 F HN 0.241 nan 8.300 nan 0.000 0.472 341 L N 6.530 127.203 121.223 -0.917 0.000 2.341 341 L HA 0.825 5.166 4.340 0.001 0.000 0.267 341 L C -0.877 175.423 176.870 -0.950 0.000 1.009 341 L CA -0.967 53.407 54.840 -0.776 0.000 0.819 341 L CB 1.903 43.660 42.059 -0.503 0.000 1.323 341 L HN 0.547 nan 8.230 nan 0.000 0.425 342 V N 0.534 120.100 119.914 -0.580 0.000 3.087 342 V HA 0.478 4.598 4.120 0.001 0.000 0.306 342 V C -1.040 174.961 176.094 -0.156 0.000 1.187 342 V CA -0.631 61.490 62.300 -0.298 0.000 0.999 342 V CB 2.540 34.276 31.823 -0.146 0.000 1.049 342 V HN 0.786 nan 8.190 nan 0.000 0.431 343 E N 3.167 123.321 120.200 -0.077 0.000 2.465 343 E HA 0.128 4.478 4.350 0.001 0.000 0.260 343 E C 0.850 177.414 176.600 -0.060 0.000 0.980 343 E CA 0.335 56.687 56.400 -0.081 0.000 0.927 343 E CB 0.611 30.259 29.700 -0.087 0.000 0.934 343 E HN 0.533 nan 8.360 nan 0.000 0.459 344 K N 1.941 122.304 120.400 -0.061 0.000 2.113 344 K HA -0.176 4.145 4.320 0.001 0.000 0.208 344 K C 0.412 176.990 176.600 -0.037 0.000 1.047 344 K CA 1.347 57.608 56.287 -0.043 0.000 0.928 344 K CB 0.107 32.585 32.500 -0.036 0.000 0.716 344 K HN 0.416 nan 8.250 nan 0.000 0.446 345 D N 0.039 120.409 120.400 -0.050 0.000 2.339 345 D HA 0.093 4.734 4.640 0.001 0.000 0.217 345 D C -0.071 176.186 176.300 -0.072 0.000 1.050 345 D CA 0.076 54.045 54.000 -0.052 0.000 0.856 345 D CB 0.117 40.884 40.800 -0.055 0.000 0.922 345 D HN 0.136 nan 8.370 nan 0.000 0.518 346 A N 2.091 124.862 122.820 -0.082 0.000 2.531 346 A HA 0.246 4.566 4.320 0.001 0.000 0.236 346 A C -2.105 175.411 177.584 -0.112 0.000 1.062 346 A CA -0.662 51.298 52.037 -0.128 0.000 0.760 346 A CB -0.151 18.831 19.000 -0.028 0.000 0.995 346 A HN -0.050 nan 8.150 nan 0.000 0.501 347 P HA 0.076 nan 4.420 nan 0.000 0.268 347 P C -0.010 177.178 177.300 -0.186 0.000 1.208 347 P CA -0.161 62.835 63.100 -0.173 0.000 0.777 347 P CB 0.485 32.033 31.700 -0.254 0.000 0.875 348 D N 1.080 121.465 120.400 -0.026 0.000 2.182 348 D HA -0.150 4.490 4.640 0.001 0.000 0.201 348 D C 1.828 178.172 176.300 0.073 0.000 0.986 348 D CA 1.186 55.208 54.000 0.036 0.000 0.847 348 D CB -0.481 40.372 40.800 0.088 0.000 0.942 348 D HN 0.618 nan 8.370 nan 0.000 0.467 349 W N 0.373 121.758 121.300 0.143 0.000 2.363 349 W HA -0.169 4.491 4.660 0.001 0.000 0.296 349 W C 1.866 178.492 176.519 0.178 0.000 1.212 349 W CA 0.146 57.574 57.345 0.137 0.000 1.260 349 W CB -1.342 28.192 29.460 0.122 0.000 1.131 349 W HN -0.058 nan 8.180 nan 0.000 0.530 350 F N 2.696 122.125 119.950 -0.868 0.000 2.163 350 F HA -0.013 4.514 4.527 0.001 0.000 0.297 350 F C 2.541 178.236 175.800 -0.176 0.000 1.094 350 F CA 2.074 59.604 58.000 -0.783 0.000 1.290 350 F CB -0.342 37.964 39.000 -1.156 0.000 1.017 350 F HN -0.312 nan 8.300 nan 0.000 0.483 351 K N 0.014 120.405 120.400 -0.015 0.000 2.044 351 K HA -0.270 4.050 4.320 0.001 0.000 0.210 351 K C 1.799 178.454 176.600 0.091 0.000 1.049 351 K CA 2.074 58.415 56.287 0.089 0.000 0.927 351 K CB -0.568 31.995 32.500 0.106 0.000 0.713 351 K HN 0.294 nan 8.250 nan 0.000 0.443 352 D N 0.706 121.158 120.400 0.087 0.000 2.097 352 D HA -0.160 4.480 4.640 0.001 0.000 0.195 352 D C 1.879 178.239 176.300 0.100 0.000 0.989 352 D CA 1.202 55.292 54.000 0.149 0.000 0.827 352 D CB 0.144 41.039 40.800 0.159 0.000 0.966 352 D HN 0.073 nan 8.370 nan 0.000 0.456 353 E N 0.084 120.309 120.200 0.041 0.000 2.058 353 E HA -0.171 4.179 4.350 0.001 0.000 0.194 353 E C 2.115 178.656 176.600 -0.100 0.000 0.997 353 E CA 0.864 57.262 56.400 -0.003 0.000 0.801 353 E CB -0.740 29.007 29.700 0.079 0.000 0.746 353 E HN 0.211 nan 8.360 nan 0.000 0.450 354 S N -0.041 115.516 115.700 -0.238 0.000 2.356 354 S HA -0.193 4.277 4.470 0.001 0.000 0.223 354 S C 1.997 176.601 174.600 0.008 0.000 1.032 354 S CA 1.208 59.361 58.200 -0.078 0.000 1.005 354 S CB -0.418 62.698 63.200 -0.140 0.000 0.867 354 S HN 0.370 nan 8.310 nan 0.000 0.449 355 Y N 2.440 122.509 120.300 -0.385 0.000 2.114 355 Y HA -0.141 4.409 4.550 0.001 0.000 0.282 355 Y C 2.018 177.662 175.900 -0.427 0.000 1.165 355 Y CA 2.038 59.598 58.100 -0.900 0.000 1.148 355 Y CB -0.466 37.643 38.460 -0.585 0.000 0.972 355 Y HN 0.140 nan 8.280 nan 0.000 0.504 356 K N -0.066 120.040 120.400 -0.490 0.000 2.155 356 K HA -0.041 4.280 4.320 0.001 0.000 0.203 356 K C 2.349 178.754 176.600 -0.326 0.000 1.052 356 K CA 1.164 57.147 56.287 -0.507 0.000 0.948 356 K CB -0.538 31.793 32.500 -0.282 0.000 0.728 356 K HN 0.313 nan 8.250 nan 0.000 0.448 357 S N 0.783 116.372 115.700 -0.185 0.000 2.368 357 S HA -0.147 4.324 4.470 0.001 0.000 0.224 357 S C 1.809 176.177 174.600 -0.387 0.000 1.029 357 S CA 0.967 59.126 58.200 -0.068 0.000 0.988 357 S CB -0.386 62.939 63.200 0.209 0.000 0.838 357 S HN 0.385 nan 8.310 nan 0.000 0.462 358 Y N 2.058 121.836 120.300 -0.869 0.000 2.128 358 Y HA -0.127 4.424 4.550 0.001 0.000 0.284 358 Y C 2.038 177.604 175.900 -0.556 0.000 1.154 358 Y CA 1.356 58.673 58.100 -1.304 0.000 1.149 358 Y CB -0.592 37.438 38.460 -0.716 0.000 0.976 358 Y HN 0.194 nan 8.280 nan 0.000 0.505 359 L N 0.465 121.265 121.223 -0.704 0.000 2.156 359 L HA -0.038 4.302 4.340 0.001 0.000 0.208 359 L C 1.984 178.567 176.870 -0.477 0.000 1.095 359 L CA 1.569 55.999 54.840 -0.684 0.000 0.770 359 L CB -0.420 41.287 42.059 -0.587 0.000 0.914 359 L HN 0.038 nan 8.230 nan 0.000 0.439 360 R N -1.355 118.932 120.500 -0.354 0.000 2.276 360 R HA 0.080 4.420 4.340 0.001 0.000 0.196 360 R C 1.878 178.095 176.300 -0.138 0.000 0.961 360 R CA 1.106 57.079 56.100 -0.212 0.000 1.024 360 R CB -0.431 29.787 30.300 -0.136 0.000 0.940 360 R HN 0.618 nan 8.270 nan 0.000 0.480 361 T N -3.574 110.882 114.554 -0.165 0.000 3.087 361 T HA 0.287 4.637 4.350 0.001 0.000 0.237 361 T C 0.461 174.971 174.700 -0.318 0.000 0.990 361 T CA 0.041 62.108 62.100 -0.056 0.000 1.160 361 T CB 0.016 68.922 68.868 0.063 0.000 0.923 361 T HN -0.117 nan 8.240 nan 0.000 0.442 362 F N 1.236 121.068 119.950 -0.198 0.000 2.631 362 F HA 0.680 5.207 4.527 0.001 0.000 0.350 362 F C 1.329 176.948 175.800 -0.301 0.000 1.080 362 F CA 0.033 58.006 58.000 -0.046 0.000 1.026 362 F CB 1.199 40.373 39.000 0.290 0.000 1.347 362 F HN 0.680 nan 8.300 nan 0.000 0.501 363 G N 0.535 109.466 108.800 0.220 0.000 2.760 363 G HA2 -0.259 3.701 3.960 0.001 0.000 0.246 363 G HA3 -0.259 3.701 3.960 0.001 0.000 0.246 363 G C 0.512 175.267 174.900 -0.242 0.000 1.359 363 G CA -0.203 44.944 45.100 0.078 0.000 0.861 363 G HN 0.918 nan 8.290 nan 0.000 0.541 364 I N 0.486 120.590 120.570 -0.778 0.000 2.335 364 I HA -0.151 4.020 4.170 0.001 0.000 0.251 364 I C 2.398 178.179 176.117 -0.561 0.000 1.129 364 I CA 2.713 63.290 61.300 -1.204 0.000 1.402 364 I CB -0.079 37.087 38.000 -1.391 0.000 1.069 364 I HN 0.859 nan 8.210 nan 0.000 0.424 365 S N -0.847 114.628 115.700 -0.376 0.000 2.578 365 S HA 0.265 4.736 4.470 0.001 0.000 0.231 365 S C 0.852 175.325 174.600 -0.211 0.000 0.994 365 S CA -0.142 57.904 58.200 -0.257 0.000 0.956 365 S CB -0.001 63.067 63.200 -0.219 0.000 0.870 365 S HN 0.326 nan 8.310 nan 0.000 0.494 366 G N 0.466 109.134 108.800 -0.219 0.000 2.442 366 G HA2 0.452 4.412 3.960 0.001 0.000 0.249 366 G HA3 0.452 4.412 3.960 0.001 0.000 0.249 366 G C 0.937 175.748 174.900 -0.148 0.000 1.263 366 G CA -0.256 44.725 45.100 -0.199 0.000 0.846 366 G HN 0.367 nan 8.290 nan 0.000 0.555 367 G N 0.625 109.360 108.800 -0.108 0.000 2.509 367 G HA2 -0.077 3.883 3.960 0.001 0.000 0.218 367 G HA3 -0.077 3.883 3.960 0.001 0.000 0.218 367 G C 1.146 175.939 174.900 -0.180 0.000 1.124 367 G CA 0.468 45.492 45.100 -0.126 0.000 0.776 367 G HN 0.479 nan 8.290 nan 0.000 0.547 368 F N 0.181 119.887 119.950 -0.406 0.000 2.164 368 F HA 0.190 4.718 4.527 0.001 0.000 0.287 368 F C 2.496 178.133 175.800 -0.273 0.000 1.086 368 F CA 1.128 58.805 58.000 -0.539 0.000 1.249 368 F CB -0.388 37.887 39.000 -1.208 0.000 1.059 368 F HN 0.176 nan 8.300 nan 0.000 0.490 369 E N 0.502 120.604 120.200 -0.164 0.000 2.204 369 E HA -0.227 4.123 4.350 0.001 0.000 0.194 369 E C 2.128 178.770 176.600 0.070 0.000 0.989 369 E CA 1.073 57.515 56.400 0.071 0.000 0.824 369 E CB -0.153 29.706 29.700 0.265 0.000 0.756 369 E HN 0.594 nan 8.360 nan 0.000 0.477 370 Q N 0.013 119.808 119.800 -0.009 0.000 2.167 370 Q HA -0.187 4.153 4.340 0.001 0.000 0.202 370 Q C 1.038 177.005 176.000 -0.055 0.000 0.970 370 Q CA 1.545 57.334 55.803 -0.023 0.000 0.855 370 Q CB -0.028 28.669 28.738 -0.069 0.000 0.911 370 Q HN 0.180 nan 8.270 nan 0.000 0.438 371 D N 1.453 121.813 120.400 -0.067 0.000 2.162 371 D HA -0.106 4.535 4.640 0.001 0.000 0.203 371 D C 1.486 177.650 176.300 -0.227 0.000 0.967 371 D CA 0.967 54.894 54.000 -0.121 0.000 0.840 371 D CB -0.214 40.516 40.800 -0.117 0.000 0.972 371 D HN 0.283 nan 8.370 nan 0.000 0.482 372 D N 0.927 121.186 120.400 -0.235 0.000 2.106 372 D HA -0.177 4.463 4.640 0.001 0.000 0.191 372 D C 2.005 177.630 176.300 -1.125 0.000 0.997 372 D CA 1.504 55.085 54.000 -0.699 0.000 0.834 372 D CB -0.171 40.296 40.800 -0.555 0.000 0.956 372 D HN 0.139 nan 8.370 nan 0.000 0.448 373 A N 0.949 123.438 122.820 -0.551 0.000 1.908 373 A HA -0.246 4.075 4.320 0.001 0.000 0.218 373 A C 2.138 179.642 177.584 -0.133 0.000 1.181 373 A CA 2.126 54.044 52.037 -0.199 0.000 0.627 373 A CB -0.559 18.540 19.000 0.164 0.000 0.818 373 A HN 0.204 nan 8.150 nan 0.000 0.445 374 E N 0.608 120.720 120.200 -0.146 0.000 2.077 374 E HA -0.185 4.165 4.350 0.001 0.000 0.193 374 E C 1.770 178.306 176.600 -0.108 0.000 0.989 374 E CA 1.746 58.093 56.400 -0.087 0.000 0.800 374 E CB -0.285 29.364 29.700 -0.085 0.000 0.746 374 E HN 0.561 nan 8.360 nan 0.000 0.452 375 N N 0.048 118.616 118.700 -0.220 0.000 2.069 375 N HA -0.166 4.575 4.740 0.001 0.000 0.191 375 N C 1.428 176.935 175.510 -0.005 0.000 1.031 375 N CA 1.477 54.432 53.050 -0.158 0.000 0.852 375 N CB -0.567 37.783 38.487 -0.229 0.000 1.018 375 N HN 0.373 nan 8.380 nan 0.000 0.423 376 W N 2.399 123.688 121.300 -0.019 0.000 2.388 376 W HA -0.006 4.654 4.660 0.001 0.000 0.294 376 W C 2.188 178.692 176.519 -0.025 0.000 1.212 376 W CA 0.531 57.849 57.345 -0.044 0.000 1.271 376 W CB -0.834 28.589 29.460 -0.062 0.000 1.126 376 W HN 0.304 nan 8.180 nan 0.000 0.535 377 R N 0.247 120.858 120.500 0.186 0.000 2.115 377 R HA -0.066 4.274 4.340 0.001 0.000 0.226 377 R C 2.142 178.486 176.300 0.073 0.000 1.100 377 R CA 1.691 57.863 56.100 0.120 0.000 0.980 377 R CB -1.087 29.275 30.300 0.103 0.000 0.875 377 R HN -0.018 nan 8.270 nan 0.000 0.445 378 S N 1.161 116.893 115.700 0.053 0.000 2.355 378 S HA -0.052 4.418 4.470 0.001 0.000 0.222 378 S C 2.054 176.671 174.600 0.030 0.000 1.031 378 S CA 0.890 59.107 58.200 0.028 0.000 0.993 378 S CB -0.204 62.998 63.200 0.005 0.000 0.859 378 S HN 0.373 nan 8.310 nan 0.000 0.453 379 I N 1.257 121.853 120.570 0.042 0.000 2.118 379 I HA -0.215 3.956 4.170 0.001 0.000 0.241 379 I C 2.653 178.781 176.117 0.019 0.000 1.070 379 I CA 1.755 63.072 61.300 0.027 0.000 1.327 379 I CB -1.017 37.008 38.000 0.042 0.000 1.034 379 I HN 0.337 nan 8.210 nan 0.000 0.405 380 T N 0.154 114.727 114.554 0.033 0.000 2.720 380 T HA -0.256 4.095 4.350 0.001 0.000 0.268 380 T C 2.002 176.715 174.700 0.022 0.000 1.037 380 T CA 1.613 63.725 62.100 0.021 0.000 1.144 380 T CB -0.334 68.557 68.868 0.038 0.000 0.864 380 T HN 0.322 nan 8.240 nan 0.000 0.444 381 R N 0.193 120.710 120.500 0.029 0.000 2.073 381 R HA -0.026 4.314 4.340 0.001 0.000 0.234 381 R C 2.433 178.748 176.300 0.023 0.000 1.134 381 R CA 1.227 57.343 56.100 0.026 0.000 0.952 381 R CB -0.626 29.690 30.300 0.027 0.000 0.850 381 R HN 0.250 nan 8.270 nan 0.000 0.433 382 V N 0.653 120.579 119.914 0.021 0.000 2.719 382 V HA -0.098 4.022 4.120 0.001 0.000 0.252 382 V C 1.738 177.844 176.094 0.020 0.000 1.065 382 V CA 1.079 63.392 62.300 0.023 0.000 1.086 382 V CB 0.019 31.854 31.823 0.020 0.000 0.700 382 V HN 0.361 nan 8.190 nan 0.000 0.467 383 M N 0.047 119.652 119.600 0.009 0.000 2.659 383 M HA 0.113 4.594 4.480 0.001 0.000 0.243 383 M C 1.943 178.250 176.300 0.012 0.000 1.111 383 M CA 0.969 56.269 55.300 0.000 0.000 1.070 383 M CB -1.451 31.138 32.600 -0.018 0.000 1.525 383 M HN 0.406 nan 8.290 nan 0.000 0.517 384 G N -0.143 108.670 108.800 0.022 0.000 2.712 384 G HA2 0.139 4.100 3.960 0.001 0.000 0.212 384 G HA3 0.139 4.100 3.960 0.001 0.000 0.212 384 G C 0.835 175.759 174.900 0.039 0.000 1.142 384 G CA 0.108 45.226 45.100 0.030 0.000 0.789 384 G HN 0.537 nan 8.290 nan 0.000 0.535 385 G N 0.267 109.094 108.800 0.046 0.000 2.378 385 G HA2 0.338 4.299 3.960 0.001 0.000 0.255 385 G HA3 0.338 4.299 3.960 0.001 0.000 0.255 385 G C 1.004 175.950 174.900 0.077 0.000 1.270 385 G CA 0.274 45.415 45.100 0.068 0.000 0.876 385 G HN 0.451 nan 8.290 nan 0.000 0.521 386 Q N 2.357 122.212 119.800 0.091 0.000 2.096 386 Q HA -0.238 4.102 4.340 0.001 0.000 0.204 386 Q C 1.799 177.874 176.000 0.124 0.000 0.982 386 Q CA 1.431 57.291 55.803 0.095 0.000 0.850 386 Q CB -0.309 28.485 28.738 0.094 0.000 0.901 386 Q HN 0.558 nan 8.270 nan 0.000 0.422 387 F N 1.623 121.582 119.950 0.015 0.000 2.163 387 F HA 0.103 4.630 4.527 0.001 0.000 0.297 387 F C 2.371 178.179 175.800 0.012 0.000 1.094 387 F CA 1.085 59.093 58.000 0.013 0.000 1.290 387 F CB -0.529 38.477 39.000 0.010 0.000 1.017 387 F HN 0.164 nan 8.300 nan 0.000 0.483 388 A N 0.259 123.071 122.820 -0.013 0.000 1.948 388 A HA -0.255 4.066 4.320 0.001 0.000 0.220 388 A C 2.220 179.719 177.584 -0.141 0.000 1.177 388 A CA 1.954 53.923 52.037 -0.112 0.000 0.636 388 A CB -0.781 18.216 19.000 -0.005 0.000 0.815 388 A HN 0.464 nan 8.150 nan 0.000 0.449 389 K N -0.632 119.723 120.400 -0.075 0.000 2.439 389 K HA -0.064 4.256 4.320 0.001 0.000 0.197 389 K C 1.749 178.306 176.600 -0.071 0.000 1.041 389 K CA 1.338 57.596 56.287 -0.048 0.000 0.970 389 K CB -0.149 32.351 32.500 -0.000 0.000 0.773 389 K HN 0.748 nan 8.250 nan 0.000 0.479 390 T N -2.566 111.904 114.554 -0.141 0.000 3.100 390 T HA 0.088 4.438 4.350 0.001 0.000 0.253 390 T C 1.011 175.612 174.700 -0.165 0.000 1.118 390 T CA -0.058 61.960 62.100 -0.137 0.000 1.058 390 T CB 0.266 69.047 68.868 -0.144 0.000 0.953 390 T HN 0.088 nan 8.240 nan 0.000 0.515 391 G N 1.411 110.091 108.800 -0.200 0.000 2.510 391 G HA2 0.548 4.508 3.960 0.001 0.000 0.280 391 G HA3 0.548 4.508 3.960 0.001 0.000 0.280 391 G C -0.576 174.276 174.900 -0.079 0.000 1.386 391 G CA -0.710 44.294 45.100 -0.160 0.000 1.047 391 G HN 0.509 nan 8.290 nan 0.000 0.527 392 E N -0.801 119.363 120.200 -0.060 0.000 2.312 392 E HA 0.432 4.782 4.350 0.001 0.000 0.267 392 E C -1.161 175.417 176.600 -0.037 0.000 0.894 392 E CA -0.843 55.545 56.400 -0.020 0.000 0.773 392 E CB 1.721 31.425 29.700 0.007 0.000 1.241 392 E HN 0.303 nan 8.360 nan 0.000 0.432 393 L N 1.885 123.097 121.223 -0.017 0.000 2.312 393 L HA 0.313 4.654 4.340 0.001 0.000 0.281 393 L C 0.661 177.451 176.870 -0.133 0.000 1.070 393 L CA -0.806 53.967 54.840 -0.112 0.000 0.805 393 L CB 0.625 42.626 42.059 -0.097 0.000 1.174 393 L HN 0.474 nan 8.230 nan 0.000 0.434 394 N N 2.542 121.102 118.700 -0.234 0.000 2.406 394 N HA 0.092 4.833 4.740 0.001 0.000 0.251 394 N C -0.866 174.475 175.510 -0.283 0.000 1.069 394 N CA -0.029 52.929 53.050 -0.155 0.000 0.947 394 N CB 0.493 38.921 38.487 -0.097 0.000 1.111 394 N HN 0.459 nan 8.380 nan 0.000 0.497 395 Y N 1.808 122.149 120.300 0.070 0.000 2.736 395 Y HA 0.219 4.769 4.550 0.001 0.000 0.293 395 Y C 1.139 177.161 175.900 0.205 0.000 1.062 395 Y CA -0.327 57.824 58.100 0.086 0.000 1.247 395 Y CB 0.680 39.163 38.460 0.039 0.000 1.200 395 Y HN 0.495 nan 8.280 nan 0.000 0.552 396 Q N 0.261 120.211 119.800 0.250 0.000 2.403 396 Q HA 0.081 4.421 4.340 0.001 0.000 0.203 396 Q C 0.669 176.742 176.000 0.121 0.000 0.932 396 Q CA -0.036 55.897 55.803 0.217 0.000 0.945 396 Q CB 0.427 29.178 28.738 0.021 0.000 1.045 396 Q HN 0.503 nan 8.270 nan 0.000 0.511 397 M N 0.702 120.365 119.600 0.105 0.000 2.474 397 M HA -0.024 4.456 4.480 0.001 0.000 0.352 397 M C 0.517 176.857 176.300 0.066 0.000 1.690 397 M CA 1.326 56.616 55.300 -0.017 0.000 1.112 397 M CB -0.135 32.391 32.600 -0.123 0.000 2.062 397 M HN 0.495 nan 8.290 nan 0.000 0.461 398 G N 3.781 112.555 108.800 -0.042 0.000 2.213 398 G HA2 -0.253 3.708 3.960 0.001 0.000 0.226 398 G HA3 -0.253 3.708 3.960 0.001 0.000 0.226 398 G C 0.241 175.009 174.900 -0.220 0.000 0.992 398 G CA 0.015 45.087 45.100 -0.047 0.000 0.632 398 G HN 0.684 nan 8.290 nan 0.000 0.511 399 R N 0.913 121.066 120.500 -0.578 0.000 2.537 399 R HA 0.382 4.722 4.340 0.001 0.000 0.281 399 R C 1.699 177.638 176.300 -0.601 0.000 0.988 399 R CA 1.699 57.050 56.100 -1.249 0.000 1.077 399 R CB -0.306 29.239 30.300 -1.258 0.000 0.932 399 R HN 1.548 nan 8.270 nan 0.000 0.409 400 G N 2.058 110.557 108.800 -0.502 0.000 2.184 400 G HA2 -0.282 3.679 3.960 0.001 0.000 0.264 400 G HA3 -0.282 3.679 3.960 0.001 0.000 0.264 400 G C 0.297 175.102 174.900 -0.158 0.000 0.975 400 G CA 0.341 45.284 45.100 -0.261 0.000 0.642 400 G HN 0.512 nan 8.290 nan 0.000 0.536 401 V N -0.131 119.694 119.914 -0.148 0.000 3.165 401 V HA 0.368 4.489 4.120 0.001 0.000 0.231 401 V C 1.528 177.609 176.094 -0.022 0.000 1.365 401 V CA 0.226 62.480 62.300 -0.077 0.000 1.286 401 V CB -0.015 31.755 31.823 -0.089 0.000 1.081 401 V HN 0.277 nan 8.190 nan 0.000 0.477 402 L N 2.522 123.736 121.223 -0.014 0.000 2.559 402 L HA 0.135 4.476 4.340 0.001 0.000 0.274 402 L C 0.074 177.040 176.870 0.160 0.000 1.205 402 L CA 1.050 55.893 54.840 0.004 0.000 0.907 402 L CB 0.013 41.945 42.059 -0.211 0.000 1.153 402 L HN 0.418 nan 8.230 nan 0.000 0.490 403 E N 4.733 125.085 120.200 0.252 0.000 2.234 403 E HA 0.372 4.722 4.350 0.001 0.000 0.266 403 E C -2.390 174.409 176.600 0.331 0.000 0.877 403 E CA -2.103 54.459 56.400 0.271 0.000 0.758 403 E CB 1.953 31.737 29.700 0.140 0.000 1.170 403 E HN 0.326 nan 8.360 nan 0.000 0.415 404 P HA -0.073 nan 4.420 nan 0.000 0.267 404 P C -0.612 176.656 177.300 -0.053 0.000 1.200 404 P CA 0.051 63.055 63.100 -0.160 0.000 0.772 404 P CB 0.464 32.067 31.700 -0.162 0.000 0.855 405 D N 3.447 123.788 120.400 -0.099 0.000 2.336 405 D HA 0.070 4.711 4.640 0.001 0.000 0.249 405 D C -1.255 175.074 176.300 0.049 0.000 1.213 405 D CA -2.073 51.935 54.000 0.014 0.000 0.870 405 D CB 0.510 41.328 40.800 0.030 0.000 1.076 405 D HN 0.206 nan 8.370 nan 0.000 0.483 406 P HA -0.018 nan 4.420 nan 0.000 0.229 406 P C 0.338 177.679 177.300 0.068 0.000 1.160 406 P CA 0.419 63.547 63.100 0.047 0.000 0.777 406 P CB 0.557 32.279 31.700 0.037 0.000 0.814 407 N N -1.531 117.231 118.700 0.104 0.000 2.280 407 N HA -0.018 4.722 4.740 0.001 0.000 0.192 407 N C 0.246 175.851 175.510 0.157 0.000 1.109 407 N CA -0.077 53.036 53.050 0.106 0.000 0.855 407 N CB -0.034 38.514 38.487 0.102 0.000 0.974 407 N HN 0.340 nan 8.380 nan 0.000 0.482 408 W N 3.151 124.443 121.300 -0.013 0.000 2.303 408 W HA 0.002 4.662 4.660 0.001 0.000 0.318 408 W C 0.735 177.239 176.519 -0.026 0.000 1.362 408 W CA 0.227 57.568 57.345 -0.007 0.000 1.234 408 W CB 0.812 30.259 29.460 -0.022 0.000 1.248 408 W HN 0.000 nan 8.180 nan 0.000 0.546 409 T N 1.907 116.056 114.554 -0.675 0.000 3.129 409 T HA 0.189 4.540 4.350 0.001 0.000 0.251 409 T C 0.744 175.074 174.700 -0.617 0.000 1.117 409 T CA 0.201 61.992 62.100 -0.515 0.000 1.034 409 T CB 0.416 69.053 68.868 -0.385 0.000 0.968 409 T HN 0.370 nan 8.240 nan 0.000 0.526 410 G N 2.348 110.607 108.800 -0.902 0.000 2.491 410 G HA2 0.642 4.602 3.960 0.001 0.000 0.327 410 G HA3 0.642 4.602 3.960 0.001 0.000 0.327 410 G C -2.699 172.019 174.900 -0.303 0.000 1.189 410 G CA -1.791 42.838 45.100 -0.784 0.000 0.956 410 G HN 0.123 nan 8.290 nan 0.000 0.491 411 P HA 0.534 nan 4.420 nan 0.000 0.277 411 P C 0.486 177.838 177.300 0.087 0.000 1.271 411 P CA 0.741 63.741 63.100 -0.166 0.000 0.795 411 P CB 1.159 32.708 31.700 -0.251 0.000 1.101 412 G N -0.388 108.411 108.800 -0.002 0.000 2.631 412 G HA2 -0.130 3.830 3.960 0.001 0.000 0.504 412 G HA3 -0.130 3.830 3.960 0.001 0.000 0.504 412 G C -1.210 173.572 174.900 -0.195 0.000 1.306 412 G CA -0.519 44.536 45.100 -0.076 0.000 0.897 412 G HN 0.763 nan 8.290 nan 0.000 0.520 413 E N 0.147 120.098 120.200 -0.415 0.000 2.109 413 E HA 0.609 4.959 4.350 0.001 0.000 0.278 413 E C 0.158 176.440 176.600 -0.530 0.000 0.954 413 E CA -0.177 55.919 56.400 -0.507 0.000 0.779 413 E CB 0.771 30.062 29.700 -0.681 0.000 1.093 413 E HN 1.264 nan 8.360 nan 0.000 0.401 414 A N 4.800 127.289 122.820 -0.552 0.000 2.355 414 A HA 0.570 4.891 4.320 0.001 0.000 0.317 414 A C -1.725 175.448 177.584 -0.684 0.000 1.094 414 A CA -0.529 51.166 52.037 -0.570 0.000 0.764 414 A CB 0.615 19.236 19.000 -0.632 0.000 1.230 414 A HN 0.654 nan 8.150 nan 0.000 0.448 415 Y N 2.101 122.315 120.300 -0.144 0.000 2.429 415 Y HA 0.474 5.025 4.550 0.001 0.000 0.342 415 Y C -1.706 174.119 175.900 -0.126 0.000 1.004 415 Y CA -2.267 55.788 58.100 -0.076 0.000 1.075 415 Y CB 2.325 40.780 38.460 -0.008 0.000 1.214 415 Y HN 0.546 nan 8.280 nan 0.000 0.455 416 P HA 0.054 nan 4.420 nan 0.000 0.258 416 P C -0.962 176.324 177.300 -0.023 0.000 1.559 416 P CA 0.662 63.763 63.100 0.002 0.000 0.855 416 P CB -0.221 31.504 31.700 0.041 0.000 1.594 417 L N -4.564 116.641 121.223 -0.029 0.000 2.720 417 L HA 0.645 4.985 4.340 0.001 0.000 0.261 417 L C -0.613 176.209 176.870 -0.081 0.000 1.046 417 L CA -0.835 53.945 54.840 -0.100 0.000 0.886 417 L CB 1.261 43.245 42.059 -0.124 0.000 1.493 417 L HN -0.442 nan 8.230 nan 0.000 0.407 418 D N -0.975 119.322 120.400 -0.172 0.000 2.440 418 D HA 0.233 4.873 4.640 0.001 0.000 0.216 418 D C -0.813 175.429 176.300 -0.097 0.000 1.150 418 D CA 0.092 54.061 54.000 -0.052 0.000 0.832 418 D CB 0.043 40.853 40.800 0.018 0.000 0.992 418 D HN 0.502 nan 8.370 nan 0.000 0.502 419 Y N 0.792 120.998 120.300 -0.156 0.000 2.594 419 Y HA 0.564 5.115 4.550 0.001 0.000 0.342 419 Y C 0.390 176.107 175.900 -0.305 0.000 1.010 419 Y CA -0.790 57.186 58.100 -0.207 0.000 1.270 419 Y CB 0.740 39.067 38.460 -0.221 0.000 1.125 419 Y HN -0.028 nan 8.280 nan 0.000 0.513 420 A N 2.367 125.038 122.820 -0.248 0.000 2.597 420 A HA 0.510 4.831 4.320 0.001 0.000 0.292 420 A C -0.499 176.862 177.584 -0.371 0.000 1.057 420 A CA -0.884 50.874 52.037 -0.465 0.000 0.674 420 A CB 1.379 19.883 19.000 -0.827 0.000 1.278 420 A HN 0.690 nan 8.150 nan 0.000 0.416 421 E N 0.270 120.380 120.200 -0.150 0.000 2.758 421 E HA 0.297 4.647 4.350 0.001 0.000 0.215 421 E C 1.317 177.927 176.600 0.016 0.000 0.985 421 E CA 0.434 56.886 56.400 0.087 0.000 1.102 421 E CB 0.880 30.715 29.700 0.224 0.000 1.042 421 E HN 0.765 nan 8.360 nan 0.000 0.480 422 A N 1.271 124.064 122.820 -0.044 0.000 1.902 422 A HA -0.231 4.089 4.320 0.001 0.000 0.217 422 A C 1.833 179.366 177.584 -0.085 0.000 1.181 422 A CA 1.487 53.444 52.037 -0.132 0.000 0.623 422 A CB -0.275 18.701 19.000 -0.041 0.000 0.818 422 A HN 0.137 nan 8.150 nan 0.000 0.443 423 N N -0.151 118.669 118.700 0.200 0.000 2.120 423 N HA -0.160 4.580 4.740 0.001 0.000 0.188 423 N C 1.832 177.332 175.510 -0.018 0.000 1.024 423 N CA 1.781 54.815 53.050 -0.027 0.000 0.852 423 N CB -0.493 37.900 38.487 -0.156 0.000 1.003 423 N HN 0.614 nan 8.380 nan 0.000 0.424 424 Q N 0.425 120.226 119.800 0.002 0.000 2.084 424 Q HA 0.064 4.404 4.340 0.001 0.000 0.202 424 Q C 2.094 177.917 176.000 -0.294 0.000 0.978 424 Q CA 1.097 56.830 55.803 -0.116 0.000 0.844 424 Q CB -0.052 28.637 28.738 -0.082 0.000 0.898 424 Q HN 0.308 nan 8.270 nan 0.000 0.426 425 R N 0.150 120.418 120.500 -0.386 0.000 2.081 425 R HA -0.136 4.204 4.340 0.001 0.000 0.235 425 R C 2.009 178.139 176.300 -0.284 0.000 1.131 425 R CA 1.484 57.328 56.100 -0.426 0.000 0.960 425 R CB -0.375 29.637 30.300 -0.481 0.000 0.856 425 R HN 0.280 nan 8.270 nan 0.000 0.436 426 N N 0.570 119.089 118.700 -0.302 0.000 2.120 426 N HA -0.193 4.548 4.740 0.001 0.000 0.188 426 N C 1.523 176.997 175.510 -0.060 0.000 1.024 426 N CA 1.130 54.011 53.050 -0.281 0.000 0.852 426 N CB -0.225 37.923 38.487 -0.564 0.000 1.003 426 N HN 0.139 nan 8.380 nan 0.000 0.424 427 F N 0.756 120.659 119.950 -0.079 0.000 2.069 427 F HA -0.066 4.461 4.527 0.001 0.000 0.298 427 F C 1.843 177.746 175.800 0.172 0.000 1.113 427 F CA 1.382 59.459 58.000 0.128 0.000 1.214 427 F CB -0.213 38.869 39.000 0.137 0.000 0.978 427 F HN 0.056 nan 8.300 nan 0.000 0.474 428 L N 0.024 121.387 121.223 0.233 0.000 2.156 428 L HA -0.161 4.180 4.340 0.001 0.000 0.208 428 L C 2.446 179.392 176.870 0.128 0.000 1.095 428 L CA 1.525 56.454 54.840 0.148 0.000 0.770 428 L CB -0.838 41.197 42.059 -0.040 0.000 0.914 428 L HN 0.282 nan 8.230 nan 0.000 0.439 429 E N 0.027 120.235 120.200 0.013 0.000 2.038 429 E HA -0.314 4.036 4.350 0.001 0.000 0.195 429 E C 2.228 178.828 176.600 0.001 0.000 1.000 429 E CA 1.760 58.156 56.400 -0.008 0.000 0.803 429 E CB -0.228 29.429 29.700 -0.072 0.000 0.750 429 E HN 0.411 nan 8.360 nan 0.000 0.448 430 Y N -0.268 119.904 120.300 -0.213 0.000 2.181 430 Y HA -0.217 4.334 4.550 0.001 0.000 0.288 430 Y C 1.938 177.656 175.900 -0.303 0.000 1.146 430 Y CA 1.953 59.827 58.100 -0.377 0.000 1.164 430 Y CB -0.825 37.220 38.460 -0.692 0.000 0.982 430 Y HN 0.295 nan 8.280 nan 0.000 0.515 431 W N 0.593 121.674 121.300 -0.365 0.000 2.318 431 W HA -0.324 4.336 4.660 0.001 0.000 0.313 431 W C 2.206 178.637 176.519 -0.147 0.000 1.221 431 W CA 2.770 60.036 57.345 -0.132 0.000 1.266 431 W CB -0.360 29.132 29.460 0.053 0.000 1.150 431 W HN 0.067 nan 8.180 nan 0.000 0.496 432 M N -0.075 119.598 119.600 0.123 0.000 2.229 432 M HA -0.223 4.258 4.480 0.001 0.000 0.264 432 M C 2.127 178.306 176.300 -0.201 0.000 1.063 432 M CA 1.672 56.956 55.300 -0.027 0.000 1.114 432 M CB -0.524 32.163 32.600 0.144 0.000 1.387 432 M HN 0.138 nan 8.290 nan 0.000 0.420 433 Q N 0.245 119.916 119.800 -0.215 0.000 2.079 433 Q HA -0.082 4.258 4.340 0.001 0.000 0.200 433 Q C 2.045 177.846 176.000 -0.332 0.000 0.974 433 Q CA 1.141 56.807 55.803 -0.229 0.000 0.840 433 Q CB -0.069 28.560 28.738 -0.182 0.000 0.898 433 Q HN 0.511 nan 8.270 nan 0.000 0.430 434 L N -0.156 120.767 121.223 -0.501 0.000 2.056 434 L HA -0.163 4.177 4.340 0.001 0.000 0.207 434 L C 2.371 178.975 176.870 -0.443 0.000 1.078 434 L CA 0.631 55.166 54.840 -0.509 0.000 0.749 434 L CB -0.332 41.362 42.059 -0.609 0.000 0.901 434 L HN 0.351 nan 8.230 nan 0.000 0.433 435 M N -0.645 118.629 119.600 -0.542 0.000 2.279 435 M HA -0.171 4.309 4.480 0.001 0.000 0.264 435 M C 2.080 178.198 176.300 -0.304 0.000 1.062 435 M CA 1.653 56.649 55.300 -0.506 0.000 1.099 435 M CB -0.665 31.483 32.600 -0.754 0.000 1.394 435 M HN 0.290 nan 8.290 nan 0.000 0.426 436 L N -0.611 120.459 121.223 -0.256 0.000 2.585 436 L HA 0.199 4.540 4.340 0.001 0.000 0.226 436 L C 0.875 177.653 176.870 -0.153 0.000 1.113 436 L CA -0.526 54.214 54.840 -0.166 0.000 0.876 436 L CB -0.125 41.858 42.059 -0.126 0.000 1.072 436 L HN 0.036 nan 8.230 nan 0.000 0.468 437 A N 0.383 123.085 122.820 -0.196 0.000 2.438 437 A HA 0.073 4.393 4.320 0.001 0.000 0.280 437 A C 1.086 178.579 177.584 -0.152 0.000 1.160 437 A CA -0.124 51.805 52.037 -0.179 0.000 0.821 437 A CB 0.149 19.006 19.000 -0.238 0.000 1.101 437 A HN 0.165 nan 8.150 nan 0.000 0.515 438 E N 1.550 121.687 120.200 -0.105 0.000 2.112 438 E HA 0.004 4.355 4.350 0.001 0.000 0.190 438 E C 0.118 176.678 176.600 -0.068 0.000 0.979 438 E CA 0.864 57.219 56.400 -0.075 0.000 0.814 438 E CB 0.156 29.825 29.700 -0.051 0.000 0.762 438 E HN 0.524 nan 8.360 nan 0.000 0.460 439 S N 1.301 116.956 115.700 -0.075 0.000 2.502 439 S HA 0.420 4.891 4.470 0.001 0.000 0.304 439 S C -2.452 172.085 174.600 -0.104 0.000 1.097 439 S CA -1.294 56.868 58.200 -0.064 0.000 1.045 439 S CB 1.877 65.054 63.200 -0.038 0.000 1.019 439 S HN -0.105 nan 8.310 nan 0.000 0.481 440 P HA 0.128 nan 4.420 nan 0.000 0.270 440 P C -0.387 176.853 177.300 -0.100 0.000 1.181 440 P CA 0.271 63.261 63.100 -0.183 0.000 0.767 440 P CB 0.151 31.842 31.700 -0.016 0.000 0.799 441 L N 0.000 121.161 121.223 -0.103 0.000 2.949 441 L HA 0.000 4.340 4.340 0.001 0.000 0.249 441 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 441 L CB 0.000 42.083 42.059 0.039 0.000 0.961 441 L HN 0.000 nan 8.230 nan 0.000 0.502