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 1v7c_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRPPLIERYR NLLPVSEKTP VISLLEGSTP LIPLKGPEEA RKKGIRLYAK DATA SEQUENCE YEGLNPTGSF KDRGMTLAVS KAVEGGAQAV ACASTGNTAA SAAAYAARAG DATA SEQUENCE ILAIVVLPAG YVALGKVAQS LVHGARIVQV EGNFDDALRL TQKLTEAFPV DATA SEQUENCE ALVNSVNPHR LEGQKTLAFE VVDELGDAPH YHALPVGNAG NITAHWMGYK DATA SEQUENCE AYHALGKAKR LPRMLGFQAA GAAPLVLGRP VERPETLATA IRIGNPASWQ DATA SEQUENCE GAVRAKEESG GVIEAVTDEE ILFAYRYLAR EEGIFCEPAS AAAMAGVFKL DATA SEQUENCE LREGRLEPES TVVLTLTGHG LKDPATAERV AELPPPVPAR LEAVAAAAGL DATA SEQUENCE 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 0.004 0.000 1.140 1 M CA 0.000 55.302 55.300 0.004 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 R N 5.183 125.687 120.500 0.008 0.000 2.196 2 R HA 0.559 4.899 4.340 -0.000 0.000 0.340 2 R C -2.403 173.902 176.300 0.009 0.000 1.043 2 R CA -1.725 54.382 56.100 0.012 0.000 0.883 2 R CB 0.098 30.410 30.300 0.019 0.000 1.078 2 R HN 0.450 nan 8.270 nan 0.000 0.462 3 P HA 0.338 nan 4.420 nan 0.000 0.276 3 P C -2.610 174.699 177.300 0.014 0.000 1.244 3 P CA -1.698 61.402 63.100 -0.001 0.000 0.801 3 P CB 0.356 32.043 31.700 -0.023 0.000 1.006 4 P HA 0.045 nan 4.420 nan 0.000 0.268 4 P C 1.035 178.361 177.300 0.044 0.000 1.205 4 P CA -0.245 62.878 63.100 0.039 0.000 0.771 4 P CB 0.293 32.014 31.700 0.035 0.000 0.858 5 L N 4.214 125.480 121.223 0.073 0.000 2.079 5 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 5 L C 1.815 178.758 176.870 0.121 0.000 1.081 5 L CA 1.745 56.651 54.840 0.110 0.000 0.752 5 L CB -0.858 41.271 42.059 0.118 0.000 0.896 5 L HN 0.397 nan 8.230 nan 0.000 0.433 6 I N -0.730 119.888 120.570 0.079 0.000 2.361 6 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 6 I C 2.243 178.394 176.117 0.057 0.000 1.133 6 I CA 0.851 62.192 61.300 0.069 0.000 1.413 6 I CB -0.319 37.701 38.000 0.034 0.000 1.073 6 I HN 0.320 nan 8.210 nan 0.000 0.424 7 E N 0.443 120.660 120.200 0.028 0.000 2.076 7 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 7 E C 2.135 178.709 176.600 -0.043 0.000 0.979 7 E CA 0.642 57.041 56.400 -0.001 0.000 0.807 7 E CB -0.314 29.380 29.700 -0.009 0.000 0.761 7 E HN 0.413 nan 8.360 nan 0.000 0.454 8 R N -0.093 120.355 120.500 -0.087 0.000 2.105 8 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 8 R C 0.706 176.736 176.300 -0.451 0.000 1.135 8 R CA 1.341 57.270 56.100 -0.286 0.000 0.967 8 R CB -0.017 30.066 30.300 -0.362 0.000 0.861 8 R HN 0.184 nan 8.270 nan 0.000 0.442 9 Y N -0.645 119.688 120.300 0.055 0.000 2.713 9 Y HA 0.267 4.817 4.550 -0.000 0.000 0.269 9 Y C 1.404 177.337 175.900 0.055 0.000 1.106 9 Y CA -0.615 57.529 58.100 0.073 0.000 1.174 9 Y CB 0.394 38.950 38.460 0.160 0.000 1.186 9 Y HN 0.011 nan 8.280 nan 0.000 0.555 10 R N 1.888 122.454 120.500 0.110 0.000 2.113 10 R HA -0.249 4.091 4.340 -0.000 0.000 0.244 10 R C 1.956 178.303 176.300 0.078 0.000 1.142 10 R CA 2.450 58.595 56.100 0.075 0.000 0.953 10 R CB -0.161 30.158 30.300 0.031 0.000 0.860 10 R HN 0.499 nan 8.270 nan 0.000 0.438 11 N N 0.689 119.431 118.700 0.069 0.000 2.443 11 N HA -0.172 4.568 4.740 -0.000 0.000 0.184 11 N C 1.240 176.795 175.510 0.075 0.000 1.037 11 N CA 1.177 54.260 53.050 0.055 0.000 0.896 11 N CB -0.172 38.333 38.487 0.030 0.000 0.959 11 N HN 0.399 nan 8.380 nan 0.000 0.442 12 L N -0.184 121.116 121.223 0.129 0.000 2.769 12 L HA 0.401 4.741 4.340 -0.000 0.000 0.240 12 L C 0.105 177.073 176.870 0.163 0.000 1.163 12 L CA -0.097 54.831 54.840 0.148 0.000 0.962 12 L CB 0.182 42.344 42.059 0.172 0.000 1.258 12 L HN -0.008 nan 8.230 nan 0.000 0.513 13 L N 0.228 121.526 121.223 0.126 0.000 2.323 13 L HA 0.466 4.806 4.340 -0.000 0.000 0.265 13 L C -2.042 174.865 176.870 0.060 0.000 1.012 13 L CA -1.650 53.245 54.840 0.093 0.000 0.820 13 L CB 1.992 44.103 42.059 0.087 0.000 1.334 13 L HN -0.196 nan 8.230 nan 0.000 0.427 14 P HA 0.101 nan 4.420 nan 0.000 0.226 14 P C -0.796 176.501 177.300 -0.004 0.000 1.783 14 P CA 0.080 63.207 63.100 0.045 0.000 0.980 14 P CB -0.107 31.656 31.700 0.105 0.000 1.967 15 V N -1.165 118.749 119.914 0.000 0.000 3.141 15 V HA 0.929 5.049 4.120 -0.000 0.000 0.312 15 V C -0.081 176.014 176.094 0.001 0.000 1.157 15 V CA -0.920 61.371 62.300 -0.016 0.000 1.041 15 V CB 1.762 33.574 31.823 -0.018 0.000 1.071 15 V HN 0.401 nan 8.190 nan 0.000 0.441 16 S N -0.407 115.291 115.700 -0.003 0.000 2.819 16 S HA 0.460 4.930 4.470 -0.000 0.000 0.299 16 S C 0.572 175.173 174.600 0.001 0.000 1.192 16 S CA 0.144 58.346 58.200 0.003 0.000 0.847 16 S CB 1.505 64.708 63.200 0.005 0.000 1.224 16 S HN 1.181 nan 8.310 nan 0.000 0.537 17 E N 1.078 121.280 120.200 0.002 0.000 2.338 17 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 17 E C 0.991 177.591 176.600 0.001 0.000 1.007 17 E CA 0.970 57.371 56.400 0.002 0.000 0.849 17 E CB -0.517 29.184 29.700 0.002 0.000 0.774 17 E HN 0.719 nan 8.360 nan 0.000 0.506 18 K N 0.648 121.049 120.400 0.001 0.000 2.418 18 K HA 0.083 4.403 4.320 -0.000 0.000 0.195 18 K C 0.237 176.835 176.600 -0.003 0.000 1.035 18 K CA 0.450 56.737 56.287 0.001 0.000 1.003 18 K CB 0.127 32.629 32.500 0.003 0.000 0.793 18 K HN -0.014 nan 8.250 nan 0.000 0.494 19 T N 4.101 118.651 114.554 -0.007 0.000 2.799 19 T HA 0.129 4.479 4.350 -0.000 0.000 0.296 19 T C -2.481 172.214 174.700 -0.009 0.000 0.947 19 T CA -1.174 60.917 62.100 -0.015 0.000 1.141 19 T CB 0.820 69.671 68.868 -0.028 0.000 0.891 19 T HN -0.063 nan 8.240 nan 0.000 0.533 20 P HA 0.233 nan 4.420 nan 0.000 0.281 20 P C -0.582 176.721 177.300 0.004 0.000 1.286 20 P CA -0.481 62.620 63.100 0.001 0.000 0.772 20 P CB 0.431 32.133 31.700 0.004 0.000 0.862 21 V N 6.066 125.986 119.914 0.009 0.000 2.381 21 V HA 0.050 4.170 4.120 -0.000 0.000 0.257 21 V C 0.595 176.712 176.094 0.037 0.000 1.057 21 V CA 0.084 62.395 62.300 0.019 0.000 1.013 21 V CB -0.459 31.375 31.823 0.018 0.000 1.069 21 V HN 0.407 nan 8.190 nan 0.000 0.484 22 I N 4.727 125.332 120.570 0.058 0.000 2.256 22 I HA 0.313 4.482 4.170 -0.000 0.000 0.294 22 I C 0.477 176.706 176.117 0.186 0.000 1.127 22 I CA 0.717 62.079 61.300 0.103 0.000 1.247 22 I CB 0.461 38.538 38.000 0.128 0.000 1.460 22 I HN 0.559 nan 8.210 nan 0.000 0.511 23 S N 5.926 121.702 115.700 0.127 0.000 2.542 23 S HA 0.695 5.165 4.470 -0.000 0.000 0.293 23 S C 0.152 174.773 174.600 0.034 0.000 1.089 23 S CA -0.496 57.798 58.200 0.156 0.000 0.961 23 S CB 1.677 64.937 63.200 0.100 0.000 1.062 23 S HN 0.541 nan 8.310 nan 0.000 0.483 24 L N 3.946 125.174 121.223 0.008 0.000 3.014 24 L HA 0.493 4.833 4.340 -0.000 0.000 0.263 24 L C -0.545 176.316 176.870 -0.015 0.000 1.207 24 L CA -0.111 54.667 54.840 -0.104 0.000 1.017 24 L CB -0.008 41.859 42.059 -0.320 0.000 1.360 24 L HN 0.734 nan 8.230 nan 0.000 0.560 25 L N 1.656 122.903 121.223 0.039 0.000 3.386 25 L HA -0.164 4.175 4.340 -0.000 0.000 0.686 25 L C 0.027 176.933 176.870 0.061 0.000 1.220 25 L CA 0.122 54.988 54.840 0.044 0.000 1.165 25 L CB -1.246 40.825 42.059 0.020 0.000 1.730 25 L HN 0.416 nan 8.230 nan 0.000 0.889 26 E N 1.276 121.536 120.200 0.099 0.000 2.254 26 E HA 0.836 5.186 4.350 -0.000 0.000 0.258 26 E C 0.797 177.451 176.600 0.090 0.000 1.033 26 E CA 0.119 56.583 56.400 0.106 0.000 0.893 26 E CB 1.687 31.483 29.700 0.162 0.000 1.204 26 E HN 0.563 nan 8.360 nan 0.000 0.425 27 G N 0.248 109.101 108.800 0.088 0.000 2.741 27 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.222 27 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.222 27 G C -0.087 174.867 174.900 0.091 0.000 1.364 27 G CA 0.203 45.360 45.100 0.095 0.000 0.866 27 G HN 1.335 nan 8.290 nan 0.000 0.555 28 S N -0.933 114.832 115.700 0.108 0.000 3.614 28 S HA -0.171 4.299 4.470 -0.000 0.000 0.360 28 S C 0.887 175.539 174.600 0.086 0.000 1.023 28 S CA 2.529 60.786 58.200 0.094 0.000 1.114 28 S CB -2.095 61.146 63.200 0.068 0.000 0.907 28 S HN 2.350 nan 8.310 nan 0.000 0.470 29 T N 0.279 114.890 114.554 0.095 0.000 2.882 29 T HA 0.570 4.920 4.350 -0.000 0.000 0.287 29 T C -2.034 172.739 174.700 0.122 0.000 1.014 29 T CA -1.789 60.371 62.100 0.101 0.000 1.049 29 T CB 0.921 69.853 68.868 0.106 0.000 1.001 29 T HN 0.111 nan 8.240 nan 0.000 0.525 30 P HA 0.236 nan 4.420 nan 0.000 0.271 30 P C -0.940 176.464 177.300 0.174 0.000 1.218 30 P CA -0.640 62.552 63.100 0.155 0.000 0.780 30 P CB 0.572 32.375 31.700 0.171 0.000 0.901 31 L N 4.061 125.374 121.223 0.150 0.000 2.335 31 L HA 0.375 4.715 4.340 -0.000 0.000 0.268 31 L C -0.283 176.709 176.870 0.203 0.000 1.037 31 L CA -0.542 54.395 54.840 0.162 0.000 0.895 31 L CB -0.472 41.648 42.059 0.101 0.000 1.266 31 L HN 0.203 nan 8.230 nan 0.000 0.439 32 I N 7.131 127.806 120.570 0.175 0.000 2.436 32 I HA 0.240 4.410 4.170 -0.000 0.000 0.289 32 I C -1.814 174.378 176.117 0.125 0.000 1.083 32 I CA -1.579 59.797 61.300 0.126 0.000 1.372 32 I CB 0.676 38.695 38.000 0.032 0.000 1.408 32 I HN 0.450 nan 8.210 nan 0.000 0.516 33 P HA 0.191 nan 4.420 nan 0.000 0.276 33 P C -0.766 176.438 177.300 -0.160 0.000 1.235 33 P CA -0.110 62.903 63.100 -0.145 0.000 0.772 33 P CB 1.040 32.684 31.700 -0.093 0.000 0.871 34 L N 3.722 124.810 121.223 -0.225 0.000 2.357 34 L HA 0.271 4.611 4.340 -0.000 0.000 0.273 34 L C 1.884 178.684 176.870 -0.116 0.000 1.080 34 L CA -0.661 54.098 54.840 -0.134 0.000 0.803 34 L CB 0.805 42.808 42.059 -0.093 0.000 1.174 34 L HN 0.333 nan 8.230 nan 0.000 0.443 35 K N 1.212 121.571 120.400 -0.069 0.000 2.057 35 K HA -0.012 4.307 4.320 -0.000 0.000 0.206 35 K C 0.964 177.558 176.600 -0.011 0.000 1.050 35 K CA 1.310 57.572 56.287 -0.042 0.000 0.935 35 K CB -0.001 32.479 32.500 -0.033 0.000 0.715 35 K HN 0.856 nan 8.250 nan 0.000 0.439 36 G N -0.022 108.805 108.800 0.045 0.000 3.253 36 G HA2 0.284 4.243 3.960 -0.000 0.000 0.175 36 G HA3 0.284 4.243 3.960 -0.000 0.000 0.175 36 G C -2.755 172.168 174.900 0.038 0.000 1.098 36 G CA -0.736 44.406 45.100 0.070 0.000 0.790 36 G HN -0.108 nan 8.290 nan 0.000 0.648 37 P HA 0.227 nan 4.420 nan 0.000 0.275 37 P C 0.074 177.401 177.300 0.045 0.000 1.266 37 P CA -0.069 63.069 63.100 0.063 0.000 0.793 37 P CB 1.886 33.540 31.700 -0.076 0.000 1.074 38 E N 0.792 121.039 120.200 0.077 0.000 2.160 38 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 38 E C 1.579 178.195 176.600 0.026 0.000 0.991 38 E CA 1.785 58.213 56.400 0.047 0.000 0.810 38 E CB -0.684 29.048 29.700 0.053 0.000 0.742 38 E HN 0.387 nan 8.360 nan 0.000 0.466 39 E N -0.431 119.791 120.200 0.037 0.000 2.209 39 E HA -0.127 4.222 4.350 -0.000 0.000 0.196 39 E C 1.691 178.285 176.600 -0.010 0.000 0.993 39 E CA 1.311 57.724 56.400 0.022 0.000 0.819 39 E CB -0.174 29.563 29.700 0.060 0.000 0.745 39 E HN 0.424 nan 8.360 nan 0.000 0.477 40 A N 0.462 123.264 122.820 -0.030 0.000 1.901 40 A HA 0.019 4.339 4.320 -0.000 0.000 0.210 40 A C 2.057 179.621 177.584 -0.034 0.000 1.208 40 A CA 0.871 52.877 52.037 -0.053 0.000 0.644 40 A CB -0.253 18.692 19.000 -0.092 0.000 0.863 40 A HN 0.103 nan 8.150 nan 0.000 0.454 41 R N 1.061 121.547 120.500 -0.023 0.000 2.103 41 R HA -0.216 4.124 4.340 -0.000 0.000 0.242 41 R C 2.101 178.395 176.300 -0.010 0.000 1.142 41 R CA 2.125 58.216 56.100 -0.016 0.000 0.960 41 R CB -0.340 29.956 30.300 -0.007 0.000 0.858 41 R HN 0.613 nan 8.270 nan 0.000 0.439 42 K N 0.216 120.612 120.400 -0.006 0.000 2.283 42 K HA -0.126 4.194 4.320 -0.000 0.000 0.202 42 K C 1.025 177.621 176.600 -0.008 0.000 1.048 42 K CA 1.506 57.790 56.287 -0.004 0.000 0.948 42 K CB 0.086 32.585 32.500 -0.002 0.000 0.742 42 K HN 0.141 nan 8.250 nan 0.000 0.458 43 K N 0.160 120.552 120.400 -0.013 0.000 2.372 43 K HA 0.112 4.432 4.320 -0.000 0.000 0.200 43 K C 0.196 176.787 176.600 -0.015 0.000 1.022 43 K CA 0.343 56.621 56.287 -0.014 0.000 1.125 43 K CB 0.834 33.323 32.500 -0.018 0.000 0.855 43 K HN 0.439 nan 8.250 nan 0.000 0.524 44 G N 2.156 110.947 108.800 -0.014 0.000 2.198 44 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.257 44 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.257 44 G C -0.125 174.765 174.900 -0.017 0.000 1.042 44 G CA -0.103 44.989 45.100 -0.012 0.000 0.791 44 G HN 0.274 nan 8.290 nan 0.000 0.502 45 I N 1.218 121.775 120.570 -0.021 0.000 2.355 45 I HA 0.448 4.618 4.170 -0.000 0.000 0.288 45 I C 0.677 176.776 176.117 -0.030 0.000 0.999 45 I CA -1.020 60.269 61.300 -0.019 0.000 1.163 45 I CB 1.162 39.142 38.000 -0.033 0.000 1.316 45 I HN 0.299 nan 8.210 nan 0.000 0.454 46 R N 6.279 126.770 120.500 -0.015 0.000 2.664 46 R HA 0.732 5.072 4.340 -0.000 0.000 0.286 46 R C -1.836 174.412 176.300 -0.086 0.000 0.967 46 R CA -0.754 55.299 56.100 -0.078 0.000 0.933 46 R CB 1.952 32.192 30.300 -0.100 0.000 1.146 46 R HN 0.336 nan 8.270 nan 0.000 0.468 47 L N 2.505 123.615 121.223 -0.188 0.000 2.334 47 L HA 0.519 4.859 4.340 -0.000 0.000 0.273 47 L C -1.023 175.674 176.870 -0.289 0.000 1.013 47 L CA -0.765 53.991 54.840 -0.141 0.000 0.816 47 L CB 1.337 43.329 42.059 -0.112 0.000 1.278 47 L HN 0.553 nan 8.230 nan 0.000 0.431 48 Y N 0.670 120.966 120.300 -0.008 0.000 2.462 48 Y HA 0.734 5.284 4.550 -0.000 0.000 0.346 48 Y C -0.050 175.842 175.900 -0.014 0.000 0.976 48 Y CA -1.029 57.071 58.100 0.000 0.000 1.044 48 Y CB 2.165 40.638 38.460 0.021 0.000 1.230 48 Y HN 0.577 nan 8.280 nan 0.000 0.455 49 A N 3.479 126.386 122.820 0.145 0.000 2.267 49 A HA 0.504 4.824 4.320 -0.000 0.000 0.315 49 A C -0.676 176.991 177.584 0.138 0.000 1.297 49 A CA -0.937 51.151 52.037 0.085 0.000 0.865 49 A CB 0.462 19.454 19.000 -0.014 0.000 1.165 49 A HN 0.462 nan 8.150 nan 0.000 0.513 50 K N 2.564 123.057 120.400 0.156 0.000 2.262 50 K HA 0.078 4.398 4.320 -0.000 0.000 0.288 50 K C -1.049 175.708 176.600 0.263 0.000 1.090 50 K CA -0.144 56.260 56.287 0.194 0.000 0.918 50 K CB -0.073 32.542 32.500 0.193 0.000 1.139 50 K HN 0.636 nan 8.250 nan 0.000 0.462 51 Y N 4.301 124.661 120.300 0.099 0.000 2.530 51 Y HA 0.022 4.572 4.550 -0.000 0.000 0.340 51 Y C 0.898 176.865 175.900 0.113 0.000 1.247 51 Y CA -0.410 57.745 58.100 0.092 0.000 1.727 51 Y CB 0.041 38.548 38.460 0.079 0.000 1.613 51 Y HN 0.502 nan 8.280 nan 0.000 0.464 52 E N 1.976 122.321 120.200 0.241 0.000 2.516 52 E HA -0.043 4.307 4.350 -0.000 0.000 0.199 52 E C 1.945 178.565 176.600 0.032 0.000 1.069 52 E CA 0.599 57.088 56.400 0.149 0.000 0.876 52 E CB 0.059 29.913 29.700 0.256 0.000 0.843 52 E HN 0.875 nan 8.360 nan 0.000 0.530 53 G N 0.487 109.199 108.800 -0.146 0.000 2.679 53 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.212 53 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.212 53 G C 1.276 176.035 174.900 -0.234 0.000 1.137 53 G CA -0.049 44.936 45.100 -0.191 0.000 0.787 53 G HN 0.197 nan 8.290 nan 0.000 0.534 54 L N 0.555 121.585 121.223 -0.322 0.000 2.685 54 L HA 0.228 4.568 4.340 -0.000 0.000 0.233 54 L C 0.510 177.345 176.870 -0.057 0.000 1.173 54 L CA -0.432 54.302 54.840 -0.177 0.000 0.961 54 L CB -0.270 41.687 42.059 -0.169 0.000 1.217 54 L HN 0.064 nan 8.230 nan 0.000 0.478 55 N N 0.909 119.594 118.700 -0.025 0.000 2.467 55 N HA 0.117 4.856 4.740 -0.000 0.000 0.262 55 N C -1.528 173.987 175.510 0.008 0.000 1.234 55 N CA -1.126 51.937 53.050 0.021 0.000 0.952 55 N CB 1.283 39.801 38.487 0.052 0.000 1.158 55 N HN -0.208 nan 8.380 nan 0.000 0.463 56 P HA -0.171 nan 4.420 nan 0.000 0.217 56 P C 0.979 178.276 177.300 -0.005 0.000 1.158 56 P CA 2.190 65.288 63.100 -0.004 0.000 0.887 56 P CB 0.013 31.699 31.700 -0.024 0.000 0.792 57 T N -5.971 108.592 114.554 0.015 0.000 3.163 57 T HA 0.425 4.774 4.350 -0.000 0.000 0.252 57 T C 1.332 176.037 174.700 0.008 0.000 1.056 57 T CA 0.303 62.417 62.100 0.023 0.000 0.947 57 T CB -0.580 68.305 68.868 0.029 0.000 1.016 57 T HN 0.293 nan 8.240 nan 0.000 0.554 58 G N 0.914 109.711 108.800 -0.006 0.000 2.175 58 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.244 58 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.244 58 G C 0.163 175.075 174.900 0.020 0.000 0.982 58 G CA 0.279 45.377 45.100 -0.004 0.000 0.641 58 G HN 1.583 nan 8.290 nan 0.000 0.527 59 S N -1.118 114.587 115.700 0.007 0.000 2.638 59 S HA 0.676 5.146 4.470 -0.000 0.000 0.274 59 S C 0.758 175.362 174.600 0.006 0.000 1.157 59 S CA 0.004 58.213 58.200 0.014 0.000 0.826 59 S CB 0.757 63.904 63.200 -0.088 0.000 1.139 59 S HN 1.360 nan 8.310 nan 0.000 0.474 60 F N 0.835 120.806 119.950 0.035 0.000 2.408 60 F HA 0.246 4.773 4.527 -0.000 0.000 0.300 60 F C 1.800 177.604 175.800 0.008 0.000 1.090 60 F CA 0.490 58.508 58.000 0.030 0.000 1.427 60 F CB -0.520 38.512 39.000 0.054 0.000 1.070 60 F HN 0.381 nan 8.300 nan 0.000 0.549 61 K N 1.143 121.113 120.400 -0.718 0.000 2.160 61 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 61 K C 1.376 177.843 176.600 -0.223 0.000 1.047 61 K CA 1.478 57.453 56.287 -0.520 0.000 0.930 61 K CB -0.841 31.378 32.500 -0.468 0.000 0.720 61 K HN 0.380 nan 8.250 nan 0.000 0.450 62 D N 0.648 120.978 120.400 -0.116 0.000 2.190 62 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 62 D C 2.003 178.219 176.300 -0.141 0.000 0.992 62 D CA 0.882 54.845 54.000 -0.062 0.000 0.854 62 D CB -0.102 40.785 40.800 0.145 0.000 0.936 62 D HN 0.237 nan 8.370 nan 0.000 0.462 63 R N 0.004 120.474 120.500 -0.049 0.000 2.083 63 R HA -0.063 4.276 4.340 -0.000 0.000 0.237 63 R C 2.397 178.639 176.300 -0.095 0.000 1.137 63 R CA 1.439 57.516 56.100 -0.039 0.000 0.951 63 R CB -0.501 29.806 30.300 0.012 0.000 0.851 63 R HN 0.201 nan 8.270 nan 0.000 0.434 64 G N 0.191 108.933 108.800 -0.096 0.000 2.408 64 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 64 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 64 G C 1.306 176.099 174.900 -0.178 0.000 1.156 64 G CA 0.171 45.213 45.100 -0.097 0.000 0.793 64 G HN 0.099 nan 8.290 nan 0.000 0.535 65 M N 0.938 120.356 119.600 -0.303 0.000 2.117 65 M HA 0.021 4.501 4.480 -0.000 0.000 0.262 65 M C 2.566 178.477 176.300 -0.649 0.000 1.065 65 M CA 1.780 56.808 55.300 -0.452 0.000 1.114 65 M CB -0.826 31.443 32.600 -0.552 0.000 1.361 65 M HN 0.209 nan 8.290 nan 0.000 0.408 66 T N -0.333 113.738 114.554 -0.804 0.000 2.684 66 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 66 T C 1.665 176.232 174.700 -0.221 0.000 1.036 66 T CA 1.825 63.609 62.100 -0.526 0.000 1.148 66 T CB -0.319 68.427 68.868 -0.203 0.000 0.863 66 T HN 0.348 nan 8.240 nan 0.000 0.436 67 L N 1.138 122.255 121.223 -0.178 0.000 2.044 67 L HA 0.293 4.633 4.340 -0.000 0.000 0.205 67 L C 2.718 179.499 176.870 -0.149 0.000 1.075 67 L CA 2.082 56.840 54.840 -0.138 0.000 0.747 67 L CB -1.360 40.640 42.059 -0.098 0.000 0.903 67 L HN 0.295 nan 8.230 nan 0.000 0.435 68 A N -0.967 121.799 122.820 -0.091 0.000 1.883 68 A HA -0.179 4.140 4.320 -0.000 0.000 0.217 68 A C 2.251 179.819 177.584 -0.027 0.000 1.186 68 A CA 2.328 54.362 52.037 -0.006 0.000 0.624 68 A CB -1.176 17.822 19.000 -0.002 0.000 0.822 68 A HN 0.310 nan 8.150 nan 0.000 0.444 69 V N -0.306 119.566 119.914 -0.071 0.000 2.358 69 V HA -0.190 3.929 4.120 -0.000 0.000 0.246 69 V C 2.769 178.855 176.094 -0.014 0.000 1.047 69 V CA 2.201 64.488 62.300 -0.022 0.000 1.035 69 V CB -0.819 31.009 31.823 0.009 0.000 0.658 69 V HN 0.552 nan 8.190 nan 0.000 0.452 70 S N -0.314 115.362 115.700 -0.040 0.000 2.370 70 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 70 S C 2.061 176.624 174.600 -0.060 0.000 1.033 70 S CA 1.264 59.442 58.200 -0.036 0.000 1.011 70 S CB -0.258 62.914 63.200 -0.047 0.000 0.852 70 S HN 0.460 nan 8.310 nan 0.000 0.457 71 K N 1.643 121.970 120.400 -0.122 0.000 2.097 71 K HA 0.154 4.474 4.320 -0.000 0.000 0.205 71 K C 2.291 178.882 176.600 -0.016 0.000 1.050 71 K CA 1.089 57.292 56.287 -0.141 0.000 0.938 71 K CB -0.768 31.471 32.500 -0.434 0.000 0.718 71 K HN 0.356 nan 8.250 nan 0.000 0.442 72 A N 1.126 123.956 122.820 0.015 0.000 1.877 72 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 72 A C 2.502 180.102 177.584 0.027 0.000 1.186 72 A CA 1.562 53.624 52.037 0.041 0.000 0.620 72 A CB -0.692 18.334 19.000 0.043 0.000 0.822 72 A HN 0.051 nan 8.150 nan 0.000 0.443 73 V N 0.169 120.093 119.914 0.017 0.000 2.407 73 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 73 V C 2.515 178.616 176.094 0.012 0.000 1.055 73 V CA 2.277 64.587 62.300 0.016 0.000 1.049 73 V CB -0.700 31.133 31.823 0.016 0.000 0.662 73 V HN 0.798 nan 8.190 nan 0.000 0.455 74 E N 0.474 120.676 120.200 0.004 0.000 2.118 74 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 74 E C 2.096 178.704 176.600 0.014 0.000 0.992 74 E CA 1.381 57.782 56.400 0.003 0.000 0.804 74 E CB -0.367 29.327 29.700 -0.011 0.000 0.741 74 E HN 0.596 nan 8.360 nan 0.000 0.458 75 G N -0.860 107.954 108.800 0.023 0.000 2.920 75 G HA2 0.117 4.077 3.960 -0.000 0.000 0.208 75 G HA3 0.117 4.077 3.960 -0.000 0.000 0.208 75 G C 1.029 175.944 174.900 0.026 0.000 1.159 75 G CA 0.340 45.458 45.100 0.030 0.000 0.784 75 G HN 0.525 nan 8.290 nan 0.000 0.535 76 G N -1.211 107.602 108.800 0.023 0.000 2.175 76 G HA2 0.112 4.072 3.960 -0.000 0.000 0.244 76 G HA3 0.112 4.072 3.960 -0.000 0.000 0.244 76 G C 0.593 175.508 174.900 0.025 0.000 0.982 76 G CA 0.211 45.324 45.100 0.022 0.000 0.641 76 G HN 1.382 nan 8.290 nan 0.000 0.527 77 A N -0.406 122.431 122.820 0.029 0.000 2.565 77 A HA 0.510 4.830 4.320 -0.000 0.000 0.237 77 A C 1.132 178.733 177.584 0.029 0.000 1.053 77 A CA 1.675 53.731 52.037 0.032 0.000 0.755 77 A CB 0.393 19.414 19.000 0.036 0.000 0.980 77 A HN 0.509 nan 8.150 nan 0.000 0.506 78 Q N 0.236 120.054 119.800 0.030 0.000 2.384 78 Q HA 0.473 4.813 4.340 -0.000 0.000 0.207 78 Q C 0.213 176.227 176.000 0.025 0.000 0.904 78 Q CA 1.212 57.031 55.803 0.026 0.000 0.933 78 Q CB 0.461 29.216 28.738 0.027 0.000 1.077 78 Q HN 1.071 nan 8.270 nan 0.000 0.522 79 A N -0.930 121.907 122.820 0.028 0.000 2.612 79 A HA 0.680 5.000 4.320 -0.000 0.000 0.293 79 A C -1.455 176.146 177.584 0.029 0.000 1.075 79 A CA -0.339 51.712 52.037 0.024 0.000 0.680 79 A CB 1.043 20.053 19.000 0.017 0.000 1.279 79 A HN 0.220 nan 8.150 nan 0.000 0.411 80 V N -2.369 117.560 119.914 0.025 0.000 3.040 80 V HA 1.049 5.168 4.120 -0.000 0.000 0.312 80 V C -0.155 175.953 176.094 0.023 0.000 1.115 80 V CA -0.265 62.052 62.300 0.028 0.000 0.998 80 V CB 1.255 33.096 31.823 0.028 0.000 1.042 80 V HN 2.535 nan 8.190 nan 0.000 0.433 81 A N 1.594 124.430 122.820 0.026 0.000 2.572 81 A HA 1.023 5.343 4.320 -0.000 0.000 0.295 81 A C -0.463 177.140 177.584 0.031 0.000 1.072 81 A CA -0.035 52.016 52.037 0.023 0.000 0.691 81 A CB 1.530 20.541 19.000 0.019 0.000 1.291 81 A HN 2.682 nan 8.150 nan 0.000 0.404 82 C N -0.483 118.838 119.300 0.036 0.000 3.283 82 C HA 0.880 5.340 4.460 -0.000 0.000 0.359 82 C C -0.035 174.997 174.990 0.069 0.000 1.160 82 C CA -0.234 58.816 59.018 0.054 0.000 1.232 82 C CB 0.743 28.517 27.740 0.057 0.000 1.571 82 C HN 2.211 nan 8.230 nan 0.000 0.522 83 A N 1.689 124.566 122.820 0.094 0.000 2.293 83 A HA 0.950 5.270 4.320 -0.000 0.000 0.302 83 A C 0.054 177.840 177.584 0.337 0.000 1.119 83 A CA 0.201 52.307 52.037 0.115 0.000 0.823 83 A CB 1.037 19.991 19.000 -0.075 0.000 1.097 83 A HN 2.330 nan 8.150 nan 0.000 0.491 84 S N -1.040 114.892 115.700 0.387 0.000 2.552 84 S HA 0.453 4.923 4.470 -0.000 0.000 0.272 84 S C 0.415 175.166 174.600 0.252 0.000 1.150 84 S CA 0.245 58.640 58.200 0.325 0.000 0.849 84 S CB 0.913 64.191 63.200 0.130 0.000 1.113 84 S HN 1.461 nan 8.310 nan 0.000 0.458 85 T N 0.345 114.914 114.554 0.026 0.000 3.129 85 T HA 0.514 4.864 4.350 -0.000 0.000 0.251 85 T C 1.319 176.035 174.700 0.027 0.000 1.117 85 T CA 1.017 63.129 62.100 0.020 0.000 1.034 85 T CB 0.084 68.876 68.868 -0.126 0.000 0.968 85 T HN 1.639 nan 8.240 nan 0.000 0.526 86 G N 1.576 110.390 108.800 0.023 0.000 3.638 86 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.196 86 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.196 86 G C 0.985 175.882 174.900 -0.004 0.000 1.315 86 G CA 0.080 45.192 45.100 0.019 0.000 0.944 86 G HN 0.319 nan 8.290 nan 0.000 0.434 87 N N 1.040 119.714 118.700 -0.042 0.000 2.171 87 N HA -0.015 4.725 4.740 -0.000 0.000 0.184 87 N C 2.132 177.583 175.510 -0.099 0.000 1.021 87 N CA 1.870 54.874 53.050 -0.076 0.000 0.854 87 N CB -0.497 37.914 38.487 -0.126 0.000 0.994 87 N HN 0.440 nan 8.380 nan 0.000 0.426 88 T N 1.204 115.695 114.554 -0.106 0.000 2.821 88 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 88 T C 1.985 176.669 174.700 -0.027 0.000 1.046 88 T CA 1.194 63.240 62.100 -0.090 0.000 1.139 88 T CB -0.196 68.637 68.868 -0.059 0.000 0.871 88 T HN 0.311 nan 8.240 nan 0.000 0.454 89 A N 1.478 124.301 122.820 0.005 0.000 1.877 89 A HA 0.178 4.497 4.320 -0.000 0.000 0.216 89 A C 2.653 180.252 177.584 0.026 0.000 1.186 89 A CA 1.767 53.821 52.037 0.028 0.000 0.620 89 A CB -1.120 17.908 19.000 0.047 0.000 0.822 89 A HN 0.493 nan 8.150 nan 0.000 0.443 90 A N -0.885 121.949 122.820 0.024 0.000 1.902 90 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 90 A C 2.495 180.084 177.584 0.009 0.000 1.181 90 A CA 2.250 54.314 52.037 0.046 0.000 0.623 90 A CB -0.950 18.078 19.000 0.047 0.000 0.818 90 A HN 0.540 nan 8.150 nan 0.000 0.443 91 S N -0.613 115.090 115.700 0.005 0.000 2.355 91 S HA -0.007 4.463 4.470 -0.000 0.000 0.222 91 S C 2.232 176.901 174.600 0.115 0.000 1.031 91 S CA 1.507 59.745 58.200 0.062 0.000 0.993 91 S CB -0.505 62.696 63.200 0.002 0.000 0.859 91 S HN 0.818 nan 8.310 nan 0.000 0.453 92 A N 1.459 124.303 122.820 0.040 0.000 1.908 92 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 92 A C 2.445 180.050 177.584 0.034 0.000 1.181 92 A CA 2.014 54.077 52.037 0.044 0.000 0.627 92 A CB -1.403 17.610 19.000 0.021 0.000 0.818 92 A HN 0.740 nan 8.150 nan 0.000 0.445 93 A N -0.168 122.649 122.820 -0.005 0.000 1.877 93 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 93 A C 2.535 180.008 177.584 -0.186 0.000 1.186 93 A CA 2.293 54.311 52.037 -0.031 0.000 0.620 93 A CB -1.090 17.932 19.000 0.037 0.000 0.822 93 A HN 1.097 nan 8.150 nan 0.000 0.443 94 A N -1.554 120.995 122.820 -0.452 0.000 1.902 94 A HA -0.073 4.246 4.320 -0.000 0.000 0.217 94 A C 2.096 179.424 177.584 -0.427 0.000 1.181 94 A CA 1.585 53.134 52.037 -0.813 0.000 0.623 94 A CB -0.806 17.653 19.000 -0.900 0.000 0.818 94 A HN 0.588 nan 8.150 nan 0.000 0.443 95 Y N -0.205 119.978 120.300 -0.195 0.000 2.314 95 Y HA 0.008 4.558 4.550 -0.000 0.000 0.293 95 Y C 2.839 178.694 175.900 -0.075 0.000 1.129 95 Y CA 0.750 58.785 58.100 -0.109 0.000 1.201 95 Y CB -0.347 38.065 38.460 -0.081 0.000 0.999 95 Y HN 0.335 nan 8.280 nan 0.000 0.541 96 A N 0.041 122.893 122.820 0.054 0.000 1.898 96 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 96 A C 2.432 180.017 177.584 0.003 0.000 1.181 96 A CA 1.673 53.729 52.037 0.032 0.000 0.620 96 A CB -1.155 17.859 19.000 0.024 0.000 0.819 96 A HN 0.385 nan 8.150 nan 0.000 0.442 97 A N -0.189 122.614 122.820 -0.029 0.000 1.902 97 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 97 A C 2.181 179.746 177.584 -0.033 0.000 1.181 97 A CA 2.108 54.133 52.037 -0.019 0.000 0.623 97 A CB -0.446 18.552 19.000 -0.002 0.000 0.818 97 A HN 0.456 nan 8.150 nan 0.000 0.443 98 R N 0.194 120.648 120.500 -0.076 0.000 2.091 98 R HA -0.039 4.300 4.340 -0.000 0.000 0.238 98 R C 2.005 178.290 176.300 -0.024 0.000 1.136 98 R CA 1.970 58.024 56.100 -0.076 0.000 0.959 98 R CB -0.765 29.442 30.300 -0.155 0.000 0.856 98 R HN 0.393 nan 8.270 nan 0.000 0.437 99 A N -1.090 121.731 122.820 0.001 0.000 2.119 99 A HA 0.246 4.566 4.320 -0.000 0.000 0.216 99 A C 1.370 178.961 177.584 0.012 0.000 1.152 99 A CA 0.820 52.868 52.037 0.018 0.000 0.708 99 A CB -0.537 18.486 19.000 0.039 0.000 0.805 99 A HN 0.601 nan 8.150 nan 0.000 0.460 100 G N -0.381 108.423 108.800 0.006 0.000 2.182 100 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.248 100 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.248 100 G C 0.094 175.001 174.900 0.011 0.000 1.042 100 G CA 0.468 45.572 45.100 0.007 0.000 0.775 100 G HN 1.409 nan 8.290 nan 0.000 0.501 101 I N -3.339 117.240 120.570 0.014 0.000 3.206 101 I HA 0.911 5.081 4.170 -0.000 0.000 0.313 101 I C 0.167 176.293 176.117 0.015 0.000 1.103 101 I CA -1.972 59.337 61.300 0.016 0.000 0.985 101 I CB 1.604 39.616 38.000 0.021 0.000 1.240 101 I HN 0.039 nan 8.210 nan 0.000 0.464 102 L N 2.841 124.072 121.223 0.013 0.000 2.397 102 L HA 0.709 5.049 4.340 -0.000 0.000 0.271 102 L C -0.199 176.678 176.870 0.012 0.000 1.148 102 L CA 0.298 55.144 54.840 0.009 0.000 0.825 102 L CB 0.935 42.996 42.059 0.002 0.000 1.117 102 L HN 0.836 nan 8.230 nan 0.000 0.456 103 A N 6.579 129.406 122.820 0.011 0.000 2.343 103 A HA 0.735 5.055 4.320 -0.000 0.000 0.308 103 A C -0.887 176.702 177.584 0.008 0.000 1.092 103 A CA -0.464 51.582 52.037 0.014 0.000 0.751 103 A CB 0.570 19.582 19.000 0.020 0.000 1.203 103 A HN 0.673 nan 8.150 nan 0.000 0.452 104 I N 3.351 123.924 120.570 0.005 0.000 2.389 104 I HA 0.488 4.658 4.170 -0.000 0.000 0.288 104 I C -0.428 175.694 176.117 0.009 0.000 0.999 104 I CA -0.973 60.325 61.300 -0.004 0.000 1.129 104 I CB 1.972 39.957 38.000 -0.026 0.000 1.288 104 I HN 0.512 nan 8.210 nan 0.000 0.444 105 V N 4.706 124.629 119.914 0.015 0.000 2.604 105 V HA 0.661 4.781 4.120 -0.000 0.000 0.305 105 V C -0.578 175.534 176.094 0.029 0.000 1.043 105 V CA -0.621 61.697 62.300 0.030 0.000 0.888 105 V CB 1.799 33.645 31.823 0.040 0.000 0.995 105 V HN 0.373 nan 8.190 nan 0.000 0.429 106 V N 6.208 126.144 119.914 0.037 0.000 2.384 106 V HA 0.569 4.689 4.120 -0.000 0.000 0.287 106 V C -0.086 176.046 176.094 0.063 0.000 1.020 106 V CA -0.341 61.978 62.300 0.033 0.000 0.850 106 V CB 1.141 32.969 31.823 0.009 0.000 0.987 106 V HN 0.845 nan 8.190 nan 0.000 0.436 107 L N 6.553 127.815 121.223 0.067 0.000 2.354 107 L HA 0.632 4.972 4.340 -0.000 0.000 0.269 107 L C -2.509 174.424 176.870 0.104 0.000 1.005 107 L CA -2.104 52.796 54.840 0.101 0.000 0.819 107 L CB 2.789 44.900 42.059 0.086 0.000 1.311 107 L HN 0.365 nan 8.230 nan 0.000 0.423 108 P HA 0.133 nan 4.420 nan 0.000 0.282 108 P C -0.543 176.863 177.300 0.176 0.000 1.274 108 P CA -0.224 62.977 63.100 0.169 0.000 0.770 108 P CB 1.255 33.090 31.700 0.225 0.000 0.867 109 A N 3.643 126.546 122.820 0.137 0.000 2.546 109 A HA 0.380 4.699 4.320 -0.000 0.000 0.243 109 A C 1.627 179.246 177.584 0.058 0.000 1.063 109 A CA 0.808 52.896 52.037 0.086 0.000 0.757 109 A CB -1.309 17.728 19.000 0.063 0.000 0.991 109 A HN 0.861 nan 8.150 nan 0.000 0.503 110 G N 0.800 109.557 108.800 -0.073 0.000 2.189 110 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.267 110 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.267 110 G C 0.117 174.655 174.900 -0.604 0.000 0.975 110 G CA 1.200 46.112 45.100 -0.314 0.000 0.644 110 G HN 0.999 nan 8.290 nan 0.000 0.537 111 Y N -0.520 119.801 120.300 0.035 0.000 2.699 111 Y HA 0.561 5.111 4.550 -0.000 0.000 0.282 111 Y C 0.306 176.227 175.900 0.035 0.000 1.058 111 Y CA -0.589 57.532 58.100 0.036 0.000 1.194 111 Y CB 1.070 39.558 38.460 0.046 0.000 1.193 111 Y HN 0.136 nan 8.280 nan 0.000 0.562 112 V N 0.823 120.782 119.914 0.076 0.000 2.525 112 V HA 0.676 4.795 4.120 -0.000 0.000 0.299 112 V C 0.259 176.369 176.094 0.028 0.000 1.034 112 V CA -1.544 60.794 62.300 0.064 0.000 0.863 112 V CB 1.353 33.214 31.823 0.063 0.000 0.999 112 V HN 0.387 nan 8.190 nan 0.000 0.423 113 A N 4.043 126.881 122.820 0.029 0.000 2.555 113 A HA 0.271 4.591 4.320 -0.000 0.000 0.233 113 A C 1.269 178.863 177.584 0.017 0.000 1.060 113 A CA 0.281 52.330 52.037 0.020 0.000 0.759 113 A CB 0.023 19.037 19.000 0.022 0.000 0.995 113 A HN 1.348 nan 8.150 nan 0.000 0.506 114 L N 2.221 123.453 121.223 0.015 0.000 2.127 114 L HA 0.035 4.375 4.340 -0.000 0.000 0.211 114 L C 1.916 178.795 176.870 0.015 0.000 1.089 114 L CA 2.437 57.284 54.840 0.013 0.000 0.757 114 L CB -1.804 40.264 42.059 0.014 0.000 0.899 114 L HN 0.636 nan 8.230 nan 0.000 0.434 115 G N 0.154 108.967 108.800 0.021 0.000 2.418 115 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 115 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 115 G C 1.600 176.508 174.900 0.014 0.000 1.158 115 G CA 0.891 46.001 45.100 0.017 0.000 0.771 115 G HN 0.537 nan 8.290 nan 0.000 0.545 116 K N 0.072 120.484 120.400 0.019 0.000 2.057 116 K HA 0.024 4.344 4.320 -0.000 0.000 0.206 116 K C 2.534 179.151 176.600 0.028 0.000 1.050 116 K CA 0.992 57.293 56.287 0.024 0.000 0.935 116 K CB -0.344 32.169 32.500 0.022 0.000 0.715 116 K HN 0.193 nan 8.250 nan 0.000 0.439 117 V N 1.798 121.726 119.914 0.022 0.000 2.295 117 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 117 V C 2.445 178.547 176.094 0.014 0.000 1.049 117 V CA 2.076 64.388 62.300 0.020 0.000 1.024 117 V CB -0.819 31.012 31.823 0.013 0.000 0.648 117 V HN 0.374 nan 8.190 nan 0.000 0.447 118 A N -0.875 121.948 122.820 0.004 0.000 1.917 118 A HA -0.329 3.991 4.320 -0.000 0.000 0.219 118 A C 2.193 179.763 177.584 -0.023 0.000 1.182 118 A CA 2.235 54.265 52.037 -0.012 0.000 0.633 118 A CB -0.504 18.486 19.000 -0.016 0.000 0.819 118 A HN 0.648 nan 8.150 nan 0.000 0.448 119 Q N -0.664 119.138 119.800 0.002 0.000 2.020 119 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 119 Q C 2.501 178.562 176.000 0.100 0.000 0.982 119 Q CA 1.749 57.572 55.803 0.034 0.000 0.838 119 Q CB -0.223 28.579 28.738 0.107 0.000 0.899 119 Q HN 0.639 nan 8.270 nan 0.000 0.423 120 S N 0.882 116.637 115.700 0.091 0.000 2.399 120 S HA -0.118 4.351 4.470 -0.000 0.000 0.231 120 S C 1.905 176.542 174.600 0.062 0.000 1.022 120 S CA 0.825 59.080 58.200 0.093 0.000 0.983 120 S CB -0.192 63.044 63.200 0.061 0.000 0.803 120 S HN 0.233 nan 8.310 nan 0.000 0.480 121 L N 0.385 121.622 121.223 0.025 0.000 1.961 121 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 121 L C 2.477 179.337 176.870 -0.016 0.000 1.072 121 L CA 1.195 56.037 54.840 0.003 0.000 0.749 121 L CB -0.675 41.378 42.059 -0.010 0.000 0.889 121 L HN 0.198 nan 8.230 nan 0.000 0.432 122 V N -0.697 119.177 119.914 -0.067 0.000 2.392 122 V HA -0.310 3.810 4.120 -0.000 0.000 0.249 122 V C 2.440 178.455 176.094 -0.131 0.000 1.059 122 V CA 1.731 63.955 62.300 -0.128 0.000 1.051 122 V CB -0.667 31.030 31.823 -0.210 0.000 0.658 122 V HN 0.481 nan 8.190 nan 0.000 0.455 123 H N 0.110 119.169 119.070 -0.018 0.000 2.559 123 H HA 0.123 4.679 4.556 -0.000 0.000 0.273 123 H C 1.846 177.165 175.328 -0.015 0.000 1.000 123 H CA 0.778 56.813 56.048 -0.021 0.000 1.195 123 H CB -0.312 29.437 29.762 -0.022 0.000 1.368 123 H HN 0.617 nan 8.280 nan 0.000 0.592 124 G N 0.306 109.154 108.800 0.080 0.000 2.137 124 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.237 124 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.237 124 G C 0.442 175.368 174.900 0.043 0.000 1.002 124 G CA 0.307 45.434 45.100 0.046 0.000 0.702 124 G HN 0.702 nan 8.290 nan 0.000 0.515 125 A N -0.165 122.688 122.820 0.054 0.000 2.351 125 A HA 0.713 5.033 4.320 -0.000 0.000 0.257 125 A C 0.850 178.447 177.584 0.021 0.000 1.087 125 A CA -0.179 51.880 52.037 0.037 0.000 0.798 125 A CB 0.364 19.390 19.000 0.045 0.000 1.033 125 A HN 0.496 nan 8.150 nan 0.000 0.488 126 R N 1.112 121.617 120.500 0.009 0.000 2.248 126 R HA 0.327 4.666 4.340 -0.000 0.000 0.328 126 R C -0.880 175.421 176.300 0.001 0.000 1.067 126 R CA 0.214 56.312 56.100 -0.002 0.000 0.924 126 R CB 0.285 30.575 30.300 -0.017 0.000 1.013 126 R HN 0.623 nan 8.270 nan 0.000 0.454 127 I N 3.290 123.862 120.570 0.004 0.000 2.392 127 I HA 0.276 4.446 4.170 -0.000 0.000 0.295 127 I C -0.259 175.860 176.117 0.004 0.000 0.985 127 I CA -0.888 60.418 61.300 0.010 0.000 1.221 127 I CB 1.884 39.893 38.000 0.015 0.000 1.366 127 I HN 0.192 nan 8.210 nan 0.000 0.467 128 V N 6.080 125.998 119.914 0.007 0.000 2.443 128 V HA 0.290 4.410 4.120 -0.000 0.000 0.293 128 V C -0.445 175.659 176.094 0.017 0.000 1.021 128 V CA -0.674 61.629 62.300 0.005 0.000 0.848 128 V CB 1.639 33.458 31.823 -0.006 0.000 0.998 128 V HN 0.681 nan 8.190 nan 0.000 0.424 129 Q N 3.386 123.197 119.800 0.019 0.000 2.314 129 Q HA 0.601 4.941 4.340 -0.000 0.000 0.259 129 Q C -0.471 175.546 176.000 0.029 0.000 0.951 129 Q CA -0.581 55.241 55.803 0.030 0.000 0.909 129 Q CB 2.520 31.274 28.738 0.028 0.000 1.236 129 Q HN 0.752 nan 8.270 nan 0.000 0.444 130 V N -0.074 119.861 119.914 0.036 0.000 2.612 130 V HA 0.350 4.470 4.120 -0.000 0.000 0.301 130 V C -0.021 176.100 176.094 0.046 0.000 1.046 130 V CA -0.868 61.450 62.300 0.031 0.000 0.946 130 V CB 1.543 33.377 31.823 0.018 0.000 1.003 130 V HN 0.728 nan 8.190 nan 0.000 0.459 131 E N 3.091 123.314 120.200 0.039 0.000 1.972 131 E HA 0.554 4.904 4.350 -0.000 0.000 0.292 131 E C 0.397 177.026 176.600 0.048 0.000 1.193 131 E CA 0.391 56.821 56.400 0.050 0.000 1.228 131 E CB 0.188 29.910 29.700 0.038 0.000 1.167 131 E HN 1.101 nan 8.360 nan 0.000 0.479 132 G N 1.610 110.447 108.800 0.061 0.000 2.430 132 G HA2 0.131 4.091 3.960 -0.000 0.000 0.300 132 G HA3 0.131 4.091 3.960 -0.000 0.000 0.300 132 G C -1.103 173.829 174.900 0.053 0.000 1.330 132 G CA -0.994 44.131 45.100 0.041 0.000 0.813 132 G HN 0.359 nan 8.290 nan 0.000 0.487 133 N N -1.402 117.309 118.700 0.018 0.000 2.566 133 N HA 0.498 5.238 4.740 -0.000 0.000 0.299 133 N C 1.070 176.614 175.510 0.056 0.000 1.277 133 N CA -0.612 52.455 53.050 0.029 0.000 0.965 133 N CB 0.489 38.963 38.487 -0.023 0.000 1.142 133 N HN 0.443 nan 8.380 nan 0.000 0.596 134 F N 0.095 120.046 119.950 0.002 0.000 2.126 134 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 134 F C 1.356 177.167 175.800 0.019 0.000 1.096 134 F CA 1.666 59.677 58.000 0.018 0.000 1.255 134 F CB -0.327 38.684 39.000 0.018 0.000 0.997 134 F HN 0.409 nan 8.300 nan 0.000 0.479 135 D N 0.332 120.643 120.400 -0.148 0.000 2.149 135 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 135 D C 1.758 177.921 176.300 -0.230 0.000 0.990 135 D CA 1.644 55.524 54.000 -0.200 0.000 0.839 135 D CB -0.423 40.380 40.800 0.005 0.000 0.948 135 D HN 0.418 nan 8.370 nan 0.000 0.460 136 D N 0.962 121.273 120.400 -0.149 0.000 2.097 136 D HA -0.089 4.551 4.640 -0.000 0.000 0.197 136 D C 2.154 178.360 176.300 -0.155 0.000 0.984 136 D CA 0.996 54.930 54.000 -0.110 0.000 0.826 136 D CB -0.229 40.539 40.800 -0.054 0.000 0.973 136 D HN 0.098 nan 8.370 nan 0.000 0.460 137 A N 1.144 123.841 122.820 -0.205 0.000 1.908 137 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 137 A C 2.212 179.633 177.584 -0.272 0.000 1.181 137 A CA 1.184 53.100 52.037 -0.201 0.000 0.627 137 A CB -0.801 18.099 19.000 -0.167 0.000 0.818 137 A HN 0.226 nan 8.150 nan 0.000 0.445 138 L N -0.288 120.627 121.223 -0.513 0.000 2.017 138 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 138 L C 2.499 179.256 176.870 -0.188 0.000 1.073 138 L CA 1.965 56.561 54.840 -0.406 0.000 0.745 138 L CB -0.554 41.154 42.059 -0.585 0.000 0.894 138 L HN 0.348 nan 8.230 nan 0.000 0.432 139 R N -0.868 119.533 120.500 -0.164 0.000 2.083 139 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 139 R C 2.275 178.541 176.300 -0.057 0.000 1.137 139 R CA 1.863 57.912 56.100 -0.084 0.000 0.951 139 R CB -0.589 29.670 30.300 -0.068 0.000 0.851 139 R HN 0.381 nan 8.270 nan 0.000 0.434 140 L N -0.256 120.929 121.223 -0.063 0.000 2.017 140 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 140 L C 2.415 179.277 176.870 -0.014 0.000 1.073 140 L CA 1.446 56.268 54.840 -0.031 0.000 0.745 140 L CB -0.645 41.395 42.059 -0.032 0.000 0.894 140 L HN 0.224 nan 8.230 nan 0.000 0.432 141 T N -0.868 113.667 114.554 -0.032 0.000 2.746 141 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 141 T C 1.887 176.595 174.700 0.012 0.000 1.039 141 T CA 1.262 63.357 62.100 -0.008 0.000 1.142 141 T CB -0.183 68.674 68.868 -0.018 0.000 0.866 141 T HN 0.406 nan 8.240 nan 0.000 0.444 142 Q N 0.787 120.587 119.800 -0.001 0.000 2.124 142 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 142 Q C 2.340 178.354 176.000 0.024 0.000 0.977 142 Q CA 1.100 56.910 55.803 0.011 0.000 0.850 142 Q CB -0.198 28.540 28.738 -0.000 0.000 0.901 142 Q HN 0.488 nan 8.270 nan 0.000 0.429 143 K N 0.380 120.793 120.400 0.022 0.000 2.148 143 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 143 K C 2.026 178.671 176.600 0.075 0.000 1.050 143 K CA 0.630 56.936 56.287 0.032 0.000 0.942 143 K CB -0.082 32.432 32.500 0.024 0.000 0.724 143 K HN 0.058 nan 8.250 nan 0.000 0.446 144 L N 1.408 122.691 121.223 0.099 0.000 2.027 144 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 144 L C 2.289 179.301 176.870 0.237 0.000 1.074 144 L CA 2.017 56.973 54.840 0.193 0.000 0.745 144 L CB -0.817 41.307 42.059 0.108 0.000 0.898 144 L HN 0.267 nan 8.230 nan 0.000 0.433 145 T N -4.252 110.380 114.554 0.130 0.000 3.113 145 T HA -0.075 4.274 4.350 -0.000 0.000 0.263 145 T C 1.404 176.152 174.700 0.081 0.000 1.143 145 T CA 1.088 63.257 62.100 0.114 0.000 1.090 145 T CB -0.422 68.487 68.868 0.068 0.000 0.922 145 T HN 0.513 nan 8.240 nan 0.000 0.521 146 E N 0.736 120.971 120.200 0.057 0.000 2.400 146 E HA 0.322 4.672 4.350 -0.000 0.000 0.195 146 E C 2.072 178.644 176.600 -0.046 0.000 1.012 146 E CA 0.487 56.891 56.400 0.007 0.000 0.875 146 E CB 0.093 29.793 29.700 -0.001 0.000 0.859 146 E HN 0.661 nan 8.360 nan 0.000 0.498 147 A N 0.261 123.037 122.820 -0.072 0.000 2.252 147 A HA 0.269 4.589 4.320 -0.000 0.000 0.213 147 A C 0.170 177.341 177.584 -0.688 0.000 1.188 147 A CA 0.041 51.860 52.037 -0.363 0.000 0.863 147 A CB 0.327 19.062 19.000 -0.442 0.000 0.893 147 A HN 0.053 nan 8.150 nan 0.000 0.495 148 F N -0.695 119.256 119.950 0.002 0.000 2.599 148 F HA 0.445 4.972 4.527 -0.000 0.000 0.311 148 F C -2.318 173.485 175.800 0.005 0.000 1.076 148 F CA -2.466 55.537 58.000 0.004 0.000 0.937 148 F CB 1.685 40.688 39.000 0.004 0.000 1.282 148 F HN -0.181 nan 8.300 nan 0.000 0.460 149 P HA 0.131 nan 4.420 nan 0.000 0.235 149 P C -0.941 176.423 177.300 0.107 0.000 1.765 149 P CA 0.329 63.495 63.100 0.110 0.000 1.034 149 P CB 0.090 31.841 31.700 0.084 0.000 1.984 150 V N 1.810 121.791 119.914 0.111 0.000 2.483 150 V HA 0.496 4.615 4.120 -0.000 0.000 0.297 150 V C 0.450 176.582 176.094 0.064 0.000 1.027 150 V CA -1.202 61.146 62.300 0.080 0.000 0.855 150 V CB 1.878 33.747 31.823 0.077 0.000 0.995 150 V HN 0.381 nan 8.190 nan 0.000 0.424 151 A N 4.924 127.774 122.820 0.050 0.000 2.451 151 A HA 0.550 4.870 4.320 -0.000 0.000 0.266 151 A C -0.425 177.184 177.584 0.042 0.000 1.119 151 A CA -0.098 51.967 52.037 0.046 0.000 0.786 151 A CB 0.097 19.124 19.000 0.045 0.000 1.061 151 A HN 0.870 nan 8.150 nan 0.000 0.503 152 L N 4.430 125.677 121.223 0.040 0.000 2.361 152 L HA 0.377 4.717 4.340 -0.000 0.000 0.278 152 L C 0.775 177.665 176.870 0.034 0.000 1.113 152 L CA 0.515 55.376 54.840 0.036 0.000 0.849 152 L CB 1.255 43.333 42.059 0.032 0.000 1.155 152 L HN 0.674 nan 8.230 nan 0.000 0.452 153 V N 0.996 120.930 119.914 0.033 0.000 3.121 153 V HA 0.409 4.529 4.120 -0.000 0.000 0.344 153 V C 0.752 176.863 176.094 0.027 0.000 1.390 153 V CA -0.546 61.769 62.300 0.026 0.000 1.177 153 V CB -1.274 30.556 31.823 0.013 0.000 1.163 153 V HN 0.812 nan 8.190 nan 0.000 0.484 154 N N 1.504 120.230 118.700 0.043 0.000 2.354 154 N HA 0.172 4.912 4.740 -0.000 0.000 0.246 154 N C 1.622 177.165 175.510 0.055 0.000 1.285 154 N CA 0.626 53.715 53.050 0.065 0.000 0.925 154 N CB 0.933 39.475 38.487 0.092 0.000 1.174 154 N HN 0.407 nan 8.380 nan 0.000 0.478 155 S N -0.560 115.183 115.700 0.071 0.000 2.440 155 S HA -0.180 4.290 4.470 -0.000 0.000 0.240 155 S C 1.818 176.448 174.600 0.051 0.000 1.014 155 S CA 0.906 59.144 58.200 0.063 0.000 0.980 155 S CB -0.493 62.757 63.200 0.084 0.000 0.775 155 S HN 0.451 nan 8.310 nan 0.000 0.499 156 V N 2.291 122.237 119.914 0.053 0.000 2.867 156 V HA -0.033 4.087 4.120 -0.000 0.000 0.260 156 V C 0.791 176.888 176.094 0.006 0.000 1.099 156 V CA 1.349 63.670 62.300 0.035 0.000 1.122 156 V CB -1.040 30.806 31.823 0.038 0.000 0.708 156 V HN 0.611 nan 8.190 nan 0.000 0.490 157 N N 0.709 119.411 118.700 0.002 0.000 2.405 157 N HA 0.148 4.888 4.740 -0.000 0.000 0.260 157 N C -1.570 173.906 175.510 -0.056 0.000 1.152 157 N CA -1.709 51.321 53.050 -0.034 0.000 0.948 157 N CB 1.497 39.983 38.487 -0.003 0.000 1.111 157 N HN 0.158 nan 8.380 nan 0.000 0.485 158 P HA -0.176 nan 4.420 nan 0.000 0.218 158 P C 0.509 177.775 177.300 -0.056 0.000 1.152 158 P CA 1.620 64.650 63.100 -0.116 0.000 0.857 158 P CB 0.022 31.609 31.700 -0.189 0.000 0.787 159 H N -1.642 117.422 119.070 -0.010 0.000 2.422 159 H HA -0.064 4.491 4.556 -0.000 0.000 0.298 159 H C 2.200 177.506 175.328 -0.036 0.000 1.098 159 H CA 0.392 56.426 56.048 -0.022 0.000 1.315 159 H CB 0.013 29.761 29.762 -0.023 0.000 1.382 159 H HN -0.054 nan 8.280 nan 0.000 0.523 160 R N 0.720 121.266 120.500 0.078 0.000 2.083 160 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 160 R C 2.325 178.637 176.300 0.020 0.000 1.137 160 R CA 1.003 57.120 56.100 0.029 0.000 0.951 160 R CB -0.585 29.729 30.300 0.024 0.000 0.851 160 R HN 0.394 nan 8.270 nan 0.000 0.434 161 L N 0.586 121.821 121.223 0.020 0.000 2.109 161 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 161 L C 2.306 179.150 176.870 -0.044 0.000 1.086 161 L CA 0.920 55.760 54.840 -0.000 0.000 0.760 161 L CB -0.483 41.580 42.059 0.007 0.000 0.910 161 L HN 0.076 nan 8.230 nan 0.000 0.437 162 E N 0.730 120.919 120.200 -0.017 0.000 2.110 162 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 162 E C 2.198 178.745 176.600 -0.088 0.000 0.988 162 E CA 1.410 57.788 56.400 -0.036 0.000 0.804 162 E CB -0.266 29.462 29.700 0.048 0.000 0.745 162 E HN 0.515 nan 8.360 nan 0.000 0.458 163 G N 0.980 109.746 108.800 -0.056 0.000 2.394 163 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.215 163 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.215 163 G C 1.501 176.322 174.900 -0.133 0.000 1.165 163 G CA 0.333 45.385 45.100 -0.081 0.000 0.784 163 G HN 0.249 nan 8.290 nan 0.000 0.535 164 Q N 0.362 120.098 119.800 -0.106 0.000 2.297 164 Q HA -0.045 4.294 4.340 -0.000 0.000 0.204 164 Q C 2.410 178.223 176.000 -0.311 0.000 0.962 164 Q CA 1.197 56.934 55.803 -0.109 0.000 0.879 164 Q CB -0.106 28.656 28.738 0.040 0.000 0.947 164 Q HN 0.705 nan 8.270 nan 0.000 0.462 165 K N 0.691 120.851 120.400 -0.399 0.000 2.280 165 K HA -0.113 4.207 4.320 -0.000 0.000 0.202 165 K C 1.808 177.739 176.600 -1.115 0.000 1.047 165 K CA 1.681 57.567 56.287 -0.669 0.000 0.942 165 K CB -0.417 31.713 32.500 -0.618 0.000 0.739 165 K HN 0.121 nan 8.250 nan 0.000 0.457 166 T N -0.090 113.898 114.554 -0.944 0.000 2.929 166 T HA -0.140 4.210 4.350 -0.000 0.000 0.271 166 T C 1.815 176.069 174.700 -0.744 0.000 1.085 166 T CA 0.937 62.403 62.100 -1.055 0.000 1.125 166 T CB -0.339 68.204 68.868 -0.540 0.000 0.874 166 T HN 0.334 nan 8.240 nan 0.000 0.494 167 L N 0.682 121.538 121.223 -0.611 0.000 2.046 167 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 167 L C 2.949 179.502 176.870 -0.527 0.000 1.077 167 L CA 1.557 56.121 54.840 -0.461 0.000 0.747 167 L CB -0.749 40.996 42.059 -0.522 0.000 0.896 167 L HN 0.385 nan 8.230 nan 0.000 0.432 168 A N -0.233 122.073 122.820 -0.855 0.000 1.902 168 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 168 A C 2.109 179.328 177.584 -0.609 0.000 1.181 168 A CA 1.703 53.136 52.037 -1.006 0.000 0.623 168 A CB -1.107 16.990 19.000 -1.505 0.000 0.818 168 A HN 0.532 nan 8.150 nan 0.000 0.443 169 F N 0.007 119.447 119.950 -0.851 0.000 2.095 169 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 169 F C 2.613 178.215 175.800 -0.329 0.000 1.104 169 F CA 1.343 58.734 58.000 -1.014 0.000 1.232 169 F CB -0.280 37.945 39.000 -1.290 0.000 0.987 169 F HN 0.332 nan 8.300 nan 0.000 0.475 170 E N 0.133 120.345 120.200 0.019 0.000 2.106 170 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 170 E C 2.223 178.887 176.600 0.107 0.000 0.984 170 E CA 1.143 57.631 56.400 0.146 0.000 0.806 170 E CB -0.174 29.599 29.700 0.122 0.000 0.750 170 E HN 0.200 nan 8.360 nan 0.000 0.458 171 V N 0.853 120.804 119.914 0.062 0.000 2.307 171 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 171 V C 2.332 178.508 176.094 0.137 0.000 1.045 171 V CA 1.313 63.675 62.300 0.103 0.000 1.024 171 V CB -0.332 31.604 31.823 0.189 0.000 0.651 171 V HN 0.130 nan 8.190 nan 0.000 0.449 172 V N 0.142 120.179 119.914 0.205 0.000 2.343 172 V HA -0.248 3.871 4.120 -0.000 0.000 0.247 172 V C 2.287 178.523 176.094 0.237 0.000 1.051 172 V CA 2.102 64.569 62.300 0.278 0.000 1.036 172 V CB -0.747 31.366 31.823 0.483 0.000 0.654 172 V HN 0.530 nan 8.190 nan 0.000 0.451 173 D N -0.284 120.278 120.400 0.271 0.000 2.123 173 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 173 D C 2.200 178.572 176.300 0.120 0.000 0.992 173 D CA 1.667 55.796 54.000 0.216 0.000 0.833 173 D CB -0.024 40.921 40.800 0.242 0.000 0.954 173 D HN 0.615 nan 8.370 nan 0.000 0.455 174 E N -0.288 119.969 120.200 0.095 0.000 2.086 174 E HA 0.008 4.357 4.350 -0.000 0.000 0.190 174 E C 2.095 178.700 176.600 0.007 0.000 0.975 174 E CA 0.215 56.642 56.400 0.045 0.000 0.813 174 E CB 0.106 29.825 29.700 0.031 0.000 0.768 174 E HN 0.173 nan 8.360 nan 0.000 0.457 175 L N -0.862 120.353 121.223 -0.013 0.000 2.418 175 L HA 0.174 4.514 4.340 -0.000 0.000 0.218 175 L C 1.681 178.555 176.870 0.005 0.000 1.125 175 L CA 0.668 55.477 54.840 -0.052 0.000 0.835 175 L CB 0.138 42.129 42.059 -0.113 0.000 0.953 175 L HN 0.515 nan 8.230 nan 0.000 0.454 176 G N -0.166 108.658 108.800 0.040 0.000 2.217 176 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.246 176 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.246 176 G C -0.089 174.837 174.900 0.044 0.000 0.990 176 G CA 0.311 45.433 45.100 0.038 0.000 0.627 176 G HN 0.409 nan 8.290 nan 0.000 0.522 177 D N -1.029 119.408 120.400 0.062 0.000 2.694 177 D HA 0.646 5.286 4.640 -0.000 0.000 0.260 177 D C 0.114 176.473 176.300 0.100 0.000 1.250 177 D CA 0.616 54.656 54.000 0.068 0.000 0.763 177 D CB 0.634 41.443 40.800 0.015 0.000 1.311 177 D HN 0.958 nan 8.370 nan 0.000 0.420 178 A N 1.432 124.323 122.820 0.118 0.000 2.386 178 A HA 0.615 4.934 4.320 -0.000 0.000 0.248 178 A C -2.218 175.342 177.584 -0.040 0.000 1.082 178 A CA -0.647 51.458 52.037 0.114 0.000 0.789 178 A CB -0.017 18.997 19.000 0.023 0.000 1.025 178 A HN 0.421 nan 8.150 nan 0.000 0.490 179 P HA 0.217 nan 4.420 nan 0.000 0.276 179 P C -0.278 176.945 177.300 -0.129 0.000 1.261 179 P CA -0.104 62.982 63.100 -0.024 0.000 0.800 179 P CB 0.480 32.236 31.700 0.093 0.000 1.066 180 H N -0.960 118.072 119.070 -0.064 0.000 2.423 180 H HA 0.020 4.576 4.556 -0.000 0.000 0.297 180 H C 0.037 175.099 175.328 -0.443 0.000 1.075 180 H CA 1.760 57.646 56.048 -0.269 0.000 1.342 180 H CB -0.509 29.068 29.762 -0.307 0.000 1.395 180 H HN 0.417 nan 8.280 nan 0.000 0.530 181 Y N -1.670 118.712 120.300 0.138 0.000 2.524 181 Y HA 0.358 4.907 4.550 -0.000 0.000 0.347 181 Y C -0.718 175.245 175.900 0.104 0.000 1.005 181 Y CA -1.175 56.981 58.100 0.094 0.000 1.025 181 Y CB 1.909 40.422 38.460 0.088 0.000 1.275 181 Y HN 0.028 nan 8.280 nan 0.000 0.460 182 H N 1.124 120.326 119.070 0.219 0.000 3.013 182 H HA 0.772 5.328 4.556 -0.000 0.000 0.326 182 H C -1.408 174.011 175.328 0.152 0.000 0.973 182 H CA -0.604 55.559 56.048 0.193 0.000 1.369 182 H CB 0.829 30.728 29.762 0.228 0.000 1.598 182 H HN 0.866 nan 8.280 nan 0.000 0.518 183 A N 5.485 128.487 122.820 0.303 0.000 2.312 183 A HA 0.747 5.066 4.320 -0.000 0.000 0.326 183 A C -0.985 176.757 177.584 0.264 0.000 1.172 183 A CA -0.569 51.642 52.037 0.290 0.000 0.821 183 A CB 0.491 19.647 19.000 0.260 0.000 1.166 183 A HN 0.726 nan 8.150 nan 0.000 0.493 184 L N -0.908 120.422 121.223 0.178 0.000 2.775 184 L HA 0.764 5.104 4.340 -0.000 0.000 0.263 184 L C -3.273 173.624 176.870 0.044 0.000 1.017 184 L CA -2.256 52.614 54.840 0.049 0.000 0.891 184 L CB 1.806 43.755 42.059 -0.183 0.000 1.482 184 L HN 0.339 nan 8.230 nan 0.000 0.410 185 P HA 0.414 nan 4.420 nan 0.000 0.276 185 P C -1.231 176.032 177.300 -0.062 0.000 1.244 185 P CA -0.411 62.703 63.100 0.024 0.000 0.801 185 P CB 1.477 33.199 31.700 0.036 0.000 1.006 186 V N 1.416 121.294 119.914 -0.060 0.000 2.482 186 V HA 0.552 4.671 4.120 -0.000 0.000 0.295 186 V C 0.761 176.804 176.094 -0.085 0.000 1.026 186 V CA 0.090 62.327 62.300 -0.105 0.000 0.856 186 V CB 1.140 32.866 31.823 -0.162 0.000 1.001 186 V HN 0.830 nan 8.190 nan 0.000 0.424 187 G N 2.927 111.683 108.800 -0.072 0.000 2.531 187 G HA2 0.018 3.978 3.960 -0.000 0.000 0.210 187 G HA3 0.018 3.978 3.960 -0.000 0.000 0.210 187 G C 0.806 175.659 174.900 -0.078 0.000 1.547 187 G CA 0.373 45.424 45.100 -0.082 0.000 0.740 187 G HN 0.556 nan 8.290 nan 0.000 0.611 188 N N 0.202 118.865 118.700 -0.061 0.000 2.280 188 N HA 0.290 5.030 4.740 -0.000 0.000 0.192 188 N C 1.259 176.782 175.510 0.022 0.000 1.109 188 N CA 1.144 54.200 53.050 0.011 0.000 0.855 188 N CB 0.416 38.923 38.487 0.033 0.000 0.974 188 N HN 0.650 nan 8.380 nan 0.000 0.482 189 A N -1.825 120.982 122.820 -0.021 0.000 3.383 189 A HA -0.162 4.158 4.320 -0.000 0.000 0.264 189 A C 1.725 179.310 177.584 0.001 0.000 1.154 189 A CA 1.423 53.436 52.037 -0.039 0.000 1.179 189 A CB -2.400 16.565 19.000 -0.060 0.000 1.133 189 A HN 0.421 nan 8.150 nan 0.000 0.933 190 G N -0.265 108.561 108.800 0.044 0.000 2.408 190 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 190 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 190 G C 1.199 176.137 174.900 0.064 0.000 1.150 190 G CA 1.510 46.651 45.100 0.068 0.000 0.776 190 G HN 0.647 nan 8.290 nan 0.000 0.542 191 N N 0.562 119.290 118.700 0.047 0.000 2.106 191 N HA -0.033 4.707 4.740 -0.000 0.000 0.188 191 N C 2.129 177.593 175.510 -0.077 0.000 1.029 191 N CA 0.888 53.921 53.050 -0.029 0.000 0.848 191 N CB -0.293 37.998 38.487 -0.328 0.000 1.007 191 N HN 0.362 nan 8.380 nan 0.000 0.423 192 I N 0.135 120.603 120.570 -0.171 0.000 2.286 192 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 192 I C 1.372 177.484 176.117 -0.007 0.000 1.115 192 I CA 1.212 62.401 61.300 -0.186 0.000 1.392 192 I CB -0.269 37.615 38.000 -0.192 0.000 1.065 192 I HN 0.119 nan 8.210 nan 0.000 0.418 193 T N 1.004 115.572 114.554 0.024 0.000 2.777 193 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 193 T C 1.937 176.702 174.700 0.109 0.000 1.040 193 T CA 1.314 63.468 62.100 0.090 0.000 1.141 193 T CB -0.350 68.557 68.868 0.066 0.000 0.868 193 T HN 0.553 nan 8.240 nan 0.000 0.444 194 A N 1.113 123.974 122.820 0.069 0.000 1.898 194 A HA -0.138 4.181 4.320 -0.000 0.000 0.216 194 A C 1.980 179.534 177.584 -0.050 0.000 1.181 194 A CA 1.695 53.731 52.037 -0.002 0.000 0.620 194 A CB -0.855 18.137 19.000 -0.014 0.000 0.819 194 A HN 0.507 nan 8.150 nan 0.000 0.442 195 H N -1.940 117.042 119.070 -0.146 0.000 2.319 195 H HA -0.178 4.378 4.556 -0.000 0.000 0.299 195 H C 1.822 177.160 175.328 0.016 0.000 1.092 195 H CA 1.862 57.794 56.048 -0.193 0.000 1.302 195 H CB -0.357 29.289 29.762 -0.193 0.000 1.373 195 H HN 0.740 nan 8.280 nan 0.000 0.497 196 W N 0.722 122.070 121.300 0.079 0.000 2.358 196 W HA -0.233 4.427 4.660 -0.000 0.000 0.303 196 W C 1.796 178.343 176.519 0.047 0.000 1.208 196 W CA 1.080 58.487 57.345 0.102 0.000 1.274 196 W CB -0.122 29.365 29.460 0.046 0.000 1.138 196 W HN 0.237 nan 8.180 nan 0.000 0.515 197 M N 0.409 119.999 119.600 -0.016 0.000 2.108 197 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 197 M C 2.411 178.587 176.300 -0.207 0.000 1.066 197 M CA 2.183 57.397 55.300 -0.145 0.000 1.107 197 M CB -1.202 31.344 32.600 -0.090 0.000 1.356 197 M HN 0.029 nan 8.290 nan 0.000 0.406 198 G N -0.922 107.685 108.800 -0.321 0.000 2.421 198 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 198 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 198 G C 1.252 176.014 174.900 -0.231 0.000 1.171 198 G CA 0.777 45.562 45.100 -0.524 0.000 0.775 198 G HN 0.429 nan 8.290 nan 0.000 0.543 199 Y N 0.798 121.014 120.300 -0.139 0.000 2.224 199 Y HA -0.039 4.511 4.550 -0.000 0.000 0.289 199 Y C 3.007 178.812 175.900 -0.157 0.000 1.146 199 Y CA 1.349 59.406 58.100 -0.072 0.000 1.182 199 Y CB 0.081 38.524 38.460 -0.028 0.000 0.983 199 Y HN 0.097 nan 8.280 nan 0.000 0.524 200 K N -0.158 120.078 120.400 -0.273 0.000 2.057 200 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 200 K C 2.388 178.973 176.600 -0.025 0.000 1.050 200 K CA 0.947 57.043 56.287 -0.317 0.000 0.935 200 K CB -0.310 31.856 32.500 -0.556 0.000 0.715 200 K HN 0.255 nan 8.250 nan 0.000 0.439 201 A N 0.775 123.619 122.820 0.040 0.000 1.877 201 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 201 A C 1.966 179.688 177.584 0.231 0.000 1.186 201 A CA 1.374 53.498 52.037 0.144 0.000 0.620 201 A CB -0.795 18.346 19.000 0.235 0.000 0.822 201 A HN 0.264 nan 8.150 nan 0.000 0.443 202 Y N -0.377 119.980 120.300 0.096 0.000 2.274 202 Y HA -0.178 4.372 4.550 -0.000 0.000 0.290 202 Y C 2.455 178.379 175.900 0.040 0.000 1.145 202 Y CA 1.287 59.404 58.100 0.027 0.000 1.203 202 Y CB -0.586 37.933 38.460 0.099 0.000 0.984 202 Y HN 0.621 nan 8.280 nan 0.000 0.533 203 H N -0.724 118.418 119.070 0.119 0.000 2.395 203 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 203 H C 2.072 177.391 175.328 -0.016 0.000 1.070 203 H CA 1.249 57.315 56.048 0.030 0.000 1.356 203 H CB 0.072 29.837 29.762 0.003 0.000 1.401 203 H HN 0.294 nan 8.280 nan 0.000 0.524 204 A N 1.052 123.918 122.820 0.077 0.000 1.969 204 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 204 A C 2.330 179.872 177.584 -0.070 0.000 1.169 204 A CA 1.016 53.059 52.037 0.009 0.000 0.635 204 A CB -0.570 18.453 19.000 0.038 0.000 0.810 204 A HN 0.389 nan 8.150 nan 0.000 0.445 205 L N -0.942 120.230 121.223 -0.085 0.000 2.478 205 L HA 0.232 4.572 4.340 -0.000 0.000 0.223 205 L C 1.595 178.346 176.870 -0.199 0.000 1.140 205 L CA 1.399 56.152 54.840 -0.145 0.000 0.842 205 L CB -0.487 41.454 42.059 -0.197 0.000 0.953 205 L HN 0.703 nan 8.230 nan 0.000 0.452 206 G N -0.735 107.933 108.800 -0.220 0.000 2.159 206 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.256 206 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.256 206 G C 1.305 176.065 174.900 -0.233 0.000 0.977 206 G CA 0.637 45.596 45.100 -0.233 0.000 0.652 206 G HN 0.426 nan 8.290 nan 0.000 0.531 207 K N -0.036 120.176 120.400 -0.315 0.000 2.296 207 K HA 0.419 4.739 4.320 -0.000 0.000 0.200 207 K C 1.211 177.716 176.600 -0.159 0.000 1.048 207 K CA 1.022 57.084 56.287 -0.375 0.000 0.966 207 K CB 0.281 32.212 32.500 -0.949 0.000 0.754 207 K HN 0.671 nan 8.250 nan 0.000 0.466 208 A N 0.864 123.650 122.820 -0.056 0.000 2.319 208 A HA 0.333 4.653 4.320 -0.000 0.000 0.310 208 A C -0.117 177.483 177.584 0.026 0.000 1.152 208 A CA -0.663 51.425 52.037 0.086 0.000 0.783 208 A CB 1.192 20.358 19.000 0.276 0.000 1.184 208 A HN -0.099 nan 8.150 nan 0.000 0.474 209 K N 0.841 121.254 120.400 0.021 0.000 2.167 209 K HA 0.015 4.334 4.320 -0.000 0.000 0.203 209 K C 1.041 177.723 176.600 0.138 0.000 1.052 209 K CA 1.286 57.575 56.287 0.002 0.000 0.956 209 K CB 0.032 32.525 32.500 -0.012 0.000 0.735 209 K HN 0.821 nan 8.250 nan 0.000 0.451 210 R N -0.329 120.253 120.500 0.136 0.000 2.919 210 R HA 0.541 4.880 4.340 -0.000 0.000 0.260 210 R C -0.949 175.402 176.300 0.084 0.000 1.067 210 R CA -0.809 55.353 56.100 0.104 0.000 1.003 210 R CB 0.843 31.117 30.300 -0.043 0.000 1.192 210 R HN -0.146 nan 8.270 nan 0.000 0.488 211 L N 2.060 123.270 121.223 -0.022 0.000 2.313 211 L HA 0.513 4.853 4.340 -0.000 0.000 0.283 211 L C -2.003 174.846 176.870 -0.036 0.000 1.013 211 L CA -2.300 52.524 54.840 -0.027 0.000 0.816 211 L CB 1.950 43.998 42.059 -0.019 0.000 1.236 211 L HN 0.559 nan 8.230 nan 0.000 0.419 212 P HA 0.198 nan 4.420 nan 0.000 0.274 212 P C -1.034 176.221 177.300 -0.075 0.000 1.246 212 P CA -0.586 62.409 63.100 -0.175 0.000 0.795 212 P CB 0.881 32.360 31.700 -0.369 0.000 1.006 213 R N 1.583 122.019 120.500 -0.108 0.000 2.221 213 R HA 0.381 4.721 4.340 -0.000 0.000 0.327 213 R C 0.142 176.442 176.300 -0.001 0.000 1.033 213 R CA -0.710 55.339 56.100 -0.085 0.000 0.887 213 R CB 0.557 30.835 30.300 -0.037 0.000 1.057 213 R HN 0.438 nan 8.270 nan 0.000 0.455 214 M N 4.989 124.507 119.600 -0.137 0.000 2.146 214 M HA 0.197 4.677 4.480 -0.000 0.000 0.352 214 M C -0.366 175.864 176.300 -0.117 0.000 1.343 214 M CA -0.041 55.200 55.300 -0.098 0.000 1.115 214 M CB 0.299 32.765 32.600 -0.223 0.000 1.657 214 M HN 0.421 nan 8.290 nan 0.000 0.471 215 L N 3.484 124.679 121.223 -0.047 0.000 2.283 215 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 215 L C 0.779 177.404 176.870 -0.409 0.000 1.033 215 L CA -0.653 54.072 54.840 -0.193 0.000 0.848 215 L CB 0.942 43.054 42.059 0.087 0.000 1.226 215 L HN 0.774 nan 8.230 nan 0.000 0.429 216 G N 2.246 110.668 108.800 -0.630 0.000 2.367 216 G HA2 0.690 4.650 3.960 -0.000 0.000 0.314 216 G HA3 0.690 4.650 3.960 -0.000 0.000 0.314 216 G C -1.151 173.185 174.900 -0.941 0.000 1.130 216 G CA -0.227 44.536 45.100 -0.561 0.000 0.864 216 G HN 0.292 nan 8.290 nan 0.000 0.486 217 F N -0.020 119.881 119.950 -0.082 0.000 2.547 217 F HA 0.433 4.960 4.527 -0.000 0.000 0.316 217 F C 0.358 176.118 175.800 -0.067 0.000 1.121 217 F CA -0.765 57.196 58.000 -0.065 0.000 0.911 217 F CB 2.421 41.397 39.000 -0.040 0.000 1.179 217 F HN 0.276 nan 8.300 nan 0.000 0.443 218 Q N 1.534 121.384 119.800 0.083 0.000 2.351 218 Q HA 0.790 5.130 4.340 -0.000 0.000 0.273 218 Q C -0.687 175.343 176.000 0.048 0.000 1.077 218 Q CA -1.399 54.417 55.803 0.022 0.000 0.843 218 Q CB 2.665 31.373 28.738 -0.050 0.000 1.367 218 Q HN 0.763 nan 8.270 nan 0.000 0.449 219 A N 0.624 123.458 122.820 0.024 0.000 2.388 219 A HA 0.443 4.763 4.320 -0.000 0.000 0.257 219 A C 0.978 178.570 177.584 0.013 0.000 1.095 219 A CA 0.410 52.461 52.037 0.023 0.000 0.791 219 A CB 0.417 19.424 19.000 0.013 0.000 1.029 219 A HN 0.913 nan 8.150 nan 0.000 0.489 220 A N 2.342 125.172 122.820 0.017 0.000 2.032 220 A HA 0.016 4.336 4.320 -0.000 0.000 0.221 220 A C 1.968 179.555 177.584 0.005 0.000 1.165 220 A CA 2.155 54.199 52.037 0.011 0.000 0.645 220 A CB -0.767 18.240 19.000 0.012 0.000 0.807 220 A HN 1.402 nan 8.150 nan 0.000 0.453 221 G N -1.950 106.852 108.800 0.004 0.000 2.813 221 G HA2 0.366 4.325 3.960 -0.000 0.000 0.209 221 G HA3 0.366 4.325 3.960 -0.000 0.000 0.209 221 G C 0.505 175.402 174.900 -0.006 0.000 1.150 221 G CA 0.828 45.928 45.100 0.000 0.000 0.785 221 G HN 1.132 nan 8.290 nan 0.000 0.535 222 A N -0.072 122.743 122.820 -0.009 0.000 3.370 222 A HA 0.714 5.034 4.320 -0.000 0.000 0.295 222 A C 0.229 177.794 177.584 -0.030 0.000 1.030 222 A CA 0.268 52.296 52.037 -0.015 0.000 0.883 222 A CB 0.335 19.325 19.000 -0.017 0.000 1.191 222 A HN 0.717 nan 8.150 nan 0.000 0.507 223 A N 2.041 124.843 122.820 -0.031 0.000 3.219 223 A HA 0.629 4.949 4.320 -0.000 0.000 0.314 223 A C -1.228 176.309 177.584 -0.080 0.000 1.081 223 A CA -1.077 50.924 52.037 -0.060 0.000 0.995 223 A CB 0.091 19.068 19.000 -0.037 0.000 1.067 223 A HN 0.364 nan 8.150 nan 0.000 0.533 224 P HA -0.213 nan 4.420 nan 0.000 0.215 224 P C 1.519 178.667 177.300 -0.252 0.000 1.153 224 P CA 1.027 64.074 63.100 -0.089 0.000 0.853 224 P CB 0.114 31.773 31.700 -0.067 0.000 0.788 225 L N -0.934 119.975 121.223 -0.523 0.000 2.131 225 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 225 L C 2.724 179.464 176.870 -0.217 0.000 1.092 225 L CA 1.095 55.599 54.840 -0.561 0.000 0.759 225 L CB -0.884 40.816 42.059 -0.598 0.000 0.903 225 L HN -0.151 nan 8.230 nan 0.000 0.435 226 V N -0.208 119.615 119.914 -0.152 0.000 2.379 226 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 226 V C 2.230 178.312 176.094 -0.020 0.000 1.044 226 V CA 1.391 63.644 62.300 -0.078 0.000 1.036 226 V CB -0.261 31.526 31.823 -0.060 0.000 0.664 226 V HN 0.343 nan 8.190 nan 0.000 0.453 227 L N 0.151 121.376 121.223 0.003 0.000 2.313 227 L HA 0.204 4.544 4.340 -0.000 0.000 0.214 227 L C 1.874 178.798 176.870 0.090 0.000 1.119 227 L CA 1.127 55.992 54.840 0.042 0.000 0.809 227 L CB -0.469 41.619 42.059 0.047 0.000 0.933 227 L HN 0.593 nan 8.230 nan 0.000 0.449 228 G N 0.575 109.468 108.800 0.155 0.000 2.159 228 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.227 228 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.227 228 G C 0.185 175.304 174.900 0.365 0.000 0.986 228 G CA 0.225 45.487 45.100 0.270 0.000 0.651 228 G HN 0.348 nan 8.290 nan 0.000 0.523 229 R N -1.053 119.678 120.500 0.386 0.000 2.692 229 R HA 0.616 4.955 4.340 -0.000 0.000 0.269 229 R C -3.522 173.019 176.300 0.401 0.000 1.030 229 R CA -1.955 54.327 56.100 0.303 0.000 0.882 229 R CB -0.089 30.276 30.300 0.109 0.000 1.250 229 R HN 0.004 nan 8.270 nan 0.000 0.465 230 P HA 0.051 nan 4.420 nan 0.000 0.266 230 P C -0.535 176.860 177.300 0.157 0.000 1.195 230 P CA -0.273 62.993 63.100 0.278 0.000 0.768 230 P CB 0.503 32.297 31.700 0.156 0.000 0.838 231 V N 3.420 123.412 119.914 0.129 0.000 2.333 231 V HA 0.074 4.194 4.120 -0.000 0.000 0.274 231 V C 1.522 177.649 176.094 0.054 0.000 1.028 231 V CA 0.066 62.409 62.300 0.072 0.000 0.851 231 V CB 0.922 32.775 31.823 0.050 0.000 1.000 231 V HN 0.560 nan 8.190 nan 0.000 0.456 232 E N 4.724 124.947 120.200 0.038 0.000 2.110 232 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 232 E C 1.000 177.605 176.600 0.009 0.000 0.988 232 E CA 1.444 57.858 56.400 0.024 0.000 0.804 232 E CB 0.223 29.933 29.700 0.017 0.000 0.745 232 E HN 0.624 nan 8.360 nan 0.000 0.458 233 R N 1.479 121.980 120.500 0.002 0.000 2.724 233 R HA 0.283 4.623 4.340 -0.000 0.000 0.284 233 R C -2.325 173.958 176.300 -0.028 0.000 1.481 233 R CA -1.622 54.467 56.100 -0.019 0.000 1.652 233 R CB 1.022 31.313 30.300 -0.015 0.000 1.175 233 R HN 0.197 nan 8.270 nan 0.000 0.613 234 P HA 0.065 nan 4.420 nan 0.000 0.268 234 P C -0.509 176.748 177.300 -0.071 0.000 1.205 234 P CA 0.205 63.286 63.100 -0.032 0.000 0.771 234 P CB 1.114 32.806 31.700 -0.014 0.000 0.858 235 E N 0.483 120.655 120.200 -0.047 0.000 2.343 235 E HA 0.686 5.036 4.350 -0.000 0.000 0.278 235 E C -1.413 175.179 176.600 -0.014 0.000 0.910 235 E CA -0.458 55.914 56.400 -0.047 0.000 0.757 235 E CB 1.926 31.610 29.700 -0.026 0.000 1.218 235 E HN 0.505 nan 8.360 nan 0.000 0.435 236 T N 1.902 116.460 114.554 0.006 0.000 3.121 236 T HA 0.118 4.468 4.350 -0.000 0.000 0.377 236 T C -0.162 174.563 174.700 0.042 0.000 1.820 236 T CA -0.170 61.942 62.100 0.020 0.000 1.098 236 T CB -0.104 68.769 68.868 0.008 0.000 1.681 236 T HN 0.458 nan 8.240 nan 0.000 0.492 237 L N 2.452 123.693 121.223 0.030 0.000 2.275 237 L HA 0.609 4.949 4.340 -0.000 0.000 0.215 237 L C 1.618 178.492 176.870 0.006 0.000 1.119 237 L CA 1.708 56.564 54.840 0.026 0.000 0.790 237 L CB -0.697 41.362 42.059 -0.000 0.000 0.919 237 L HN 0.675 nan 8.230 nan 0.000 0.443 238 A N 0.532 123.350 122.820 -0.004 0.000 3.091 238 A HA 0.350 4.669 4.320 -0.000 0.000 0.264 238 A C 1.642 179.232 177.584 0.010 0.000 1.673 238 A CA 0.284 52.313 52.037 -0.013 0.000 1.362 238 A CB -1.307 17.685 19.000 -0.014 0.000 1.137 238 A HN 0.551 nan 8.150 nan 0.000 0.617 239 T N -1.799 112.777 114.554 0.036 0.000 2.869 239 T HA -0.191 4.158 4.350 -0.000 0.000 0.270 239 T C 1.736 176.451 174.700 0.024 0.000 1.082 239 T CA 1.545 63.683 62.100 0.065 0.000 1.123 239 T CB -0.359 68.588 68.868 0.131 0.000 0.856 239 T HN 0.756 nan 8.240 nan 0.000 0.499 240 A N 2.297 125.120 122.820 0.004 0.000 1.978 240 A HA 0.144 4.463 4.320 -0.000 0.000 0.220 240 A C 2.171 179.714 177.584 -0.068 0.000 1.170 240 A CA 1.388 53.410 52.037 -0.025 0.000 0.636 240 A CB -0.739 18.262 19.000 0.001 0.000 0.810 240 A HN 0.952 nan 8.150 nan 0.000 0.448 241 I N -4.438 116.106 120.570 -0.044 0.000 3.762 241 I HA 0.378 4.548 4.170 -0.000 0.000 0.333 241 I C 0.627 176.714 176.117 -0.049 0.000 1.566 241 I CA -0.453 60.810 61.300 -0.063 0.000 1.129 241 I CB 0.201 38.182 38.000 -0.032 0.000 1.218 241 I HN 0.052 nan 8.210 nan 0.000 0.456 242 R N 2.737 123.214 120.500 -0.038 0.000 4.154 242 R HA 0.458 4.798 4.340 -0.000 0.000 0.186 242 R C -0.950 175.350 176.300 0.001 0.000 1.750 242 R CA 0.009 56.096 56.100 -0.023 0.000 1.431 242 R CB -0.178 30.109 30.300 -0.022 0.000 1.383 242 R HN 0.513 nan 8.270 nan 0.000 0.788 243 I N 0.871 121.442 120.570 0.003 0.000 2.466 243 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 243 I C 0.958 177.115 176.117 0.066 0.000 1.026 243 I CA -0.708 60.638 61.300 0.076 0.000 1.078 243 I CB 2.322 40.334 38.000 0.020 0.000 1.249 243 I HN 0.452 nan 8.210 nan 0.000 0.429 244 G N 3.360 112.224 108.800 0.107 0.000 3.020 244 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.217 244 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.217 244 G C 0.385 175.377 174.900 0.154 0.000 1.144 244 G CA 0.171 45.327 45.100 0.093 0.000 0.760 244 G HN 0.515 nan 8.290 nan 0.000 0.548 245 N N 0.717 119.533 118.700 0.193 0.000 2.716 245 N HA 0.257 4.997 4.740 -0.000 0.000 0.245 245 N C -2.915 172.767 175.510 0.286 0.000 1.495 245 N CA -1.519 51.703 53.050 0.286 0.000 0.759 245 N CB 1.512 40.126 38.487 0.211 0.000 1.261 245 N HN -0.090 nan 8.380 nan 0.000 0.515 246 P HA 0.002 nan 4.420 nan 0.000 0.258 246 P C 0.637 178.088 177.300 0.251 0.000 1.172 246 P CA 0.089 63.290 63.100 0.168 0.000 0.762 246 P CB 0.970 32.648 31.700 -0.036 0.000 0.764 247 A N 3.976 126.919 122.820 0.206 0.000 1.972 247 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 247 A C 1.731 179.414 177.584 0.165 0.000 1.169 247 A CA 1.328 53.470 52.037 0.176 0.000 0.635 247 A CB -0.677 18.415 19.000 0.152 0.000 0.810 247 A HN 0.547 nan 8.150 nan 0.000 0.446 248 S N -0.649 115.137 115.700 0.143 0.000 2.519 248 S HA 0.062 4.532 4.470 -0.000 0.000 0.245 248 S C 0.698 175.389 174.600 0.152 0.000 1.152 248 S CA -0.753 57.521 58.200 0.123 0.000 1.175 248 S CB -0.380 62.866 63.200 0.077 0.000 0.829 248 S HN 0.637 nan 8.310 nan 0.000 0.472 249 W N 2.782 124.091 121.300 0.015 0.000 2.315 249 W HA -0.212 4.447 4.660 -0.000 0.000 0.323 249 W C 1.399 177.915 176.519 -0.005 0.000 1.233 249 W CA 1.763 59.110 57.345 0.003 0.000 1.267 249 W CB -0.422 29.041 29.460 0.005 0.000 1.160 249 W HN 0.406 nan 8.180 nan 0.000 0.474 250 Q N -0.489 119.531 119.800 0.366 0.000 2.124 250 Q HA -0.087 4.252 4.340 -0.000 0.000 0.202 250 Q C 2.420 178.502 176.000 0.137 0.000 0.977 250 Q CA 1.791 57.730 55.803 0.227 0.000 0.850 250 Q CB -1.510 27.309 28.738 0.134 0.000 0.901 250 Q HN 0.434 nan 8.270 nan 0.000 0.429 251 G N 0.966 109.835 108.800 0.115 0.000 2.418 251 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 251 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 251 G C 1.586 176.511 174.900 0.042 0.000 1.158 251 G CA 1.273 46.424 45.100 0.084 0.000 0.771 251 G HN 0.468 nan 8.290 nan 0.000 0.545 252 A N 0.107 122.928 122.820 0.001 0.000 1.877 252 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 252 A C 2.616 180.137 177.584 -0.104 0.000 1.186 252 A CA 1.834 53.819 52.037 -0.087 0.000 0.620 252 A CB -0.706 18.197 19.000 -0.161 0.000 0.822 252 A HN 0.254 nan 8.150 nan 0.000 0.443 253 V N 0.208 120.097 119.914 -0.041 0.000 2.295 253 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 253 V C 2.672 178.738 176.094 -0.046 0.000 1.049 253 V CA 2.287 64.573 62.300 -0.024 0.000 1.024 253 V CB -0.832 31.050 31.823 0.098 0.000 0.648 253 V HN 0.518 nan 8.190 nan 0.000 0.447 254 R N -0.012 120.484 120.500 -0.007 0.000 2.096 254 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 254 R C 2.443 178.670 176.300 -0.121 0.000 1.127 254 R CA 1.401 57.497 56.100 -0.006 0.000 0.968 254 R CB -0.602 29.743 30.300 0.076 0.000 0.861 254 R HN 0.540 nan 8.270 nan 0.000 0.440 255 A N 1.742 124.449 122.820 -0.188 0.000 1.902 255 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 255 A C 2.111 179.282 177.584 -0.688 0.000 1.181 255 A CA 1.521 53.219 52.037 -0.565 0.000 0.623 255 A CB -0.382 18.447 19.000 -0.286 0.000 0.818 255 A HN 0.231 nan 8.150 nan 0.000 0.443 256 K N -0.178 119.989 120.400 -0.387 0.000 2.001 256 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 256 K C 1.935 178.357 176.600 -0.296 0.000 1.048 256 K CA 1.685 57.773 56.287 -0.331 0.000 0.932 256 K CB -0.236 32.127 32.500 -0.229 0.000 0.715 256 K HN 0.621 nan 8.250 nan 0.000 0.437 257 E N 0.546 120.618 120.200 -0.212 0.000 2.031 257 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 257 E C 2.081 178.592 176.600 -0.150 0.000 0.994 257 E CA 1.555 57.872 56.400 -0.138 0.000 0.800 257 E CB -0.025 29.634 29.700 -0.068 0.000 0.752 257 E HN 0.407 nan 8.360 nan 0.000 0.447 258 E N 0.397 120.496 120.200 -0.168 0.000 2.110 258 E HA -0.155 4.194 4.350 -0.000 0.000 0.193 258 E C 2.179 178.678 176.600 -0.169 0.000 0.988 258 E CA 1.453 57.824 56.400 -0.048 0.000 0.804 258 E CB -0.027 29.814 29.700 0.236 0.000 0.745 258 E HN 0.187 nan 8.360 nan 0.000 0.458 259 S N -0.914 114.381 115.700 -0.675 0.000 2.528 259 S HA 0.125 4.594 4.470 -0.000 0.000 0.219 259 S C 1.597 176.020 174.600 -0.296 0.000 0.985 259 S CA 0.396 58.175 58.200 -0.701 0.000 0.914 259 S CB 0.512 62.961 63.200 -1.252 0.000 0.776 259 S HN 0.353 nan 8.310 nan 0.000 0.526 260 G N 0.517 109.179 108.800 -0.229 0.000 2.147 260 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.244 260 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.244 260 G C 0.442 175.277 174.900 -0.108 0.000 1.005 260 G CA 0.115 45.140 45.100 -0.125 0.000 0.713 260 G HN 1.021 nan 8.290 nan 0.000 0.515 261 G N -1.538 107.160 108.800 -0.171 0.000 2.695 261 G HA2 0.942 4.902 3.960 -0.000 0.000 0.213 261 G HA3 0.942 4.902 3.960 -0.000 0.000 0.213 261 G C 0.233 175.052 174.900 -0.135 0.000 1.406 261 G CA 0.716 45.743 45.100 -0.122 0.000 1.049 261 G HN 1.726 nan 8.290 nan 0.000 0.573 262 V N -3.249 116.556 119.914 -0.181 0.000 3.206 262 V HA 0.780 4.899 4.120 -0.000 0.000 0.305 262 V C -1.195 174.695 176.094 -0.340 0.000 1.257 262 V CA -1.139 61.031 62.300 -0.215 0.000 1.057 262 V CB 1.929 33.649 31.823 -0.171 0.000 1.075 262 V HN 0.625 nan 8.190 nan 0.000 0.443 263 I N 1.319 121.699 120.570 -0.316 0.000 2.531 263 I HA 0.595 4.765 4.170 -0.000 0.000 0.283 263 I C -0.469 175.477 176.117 -0.286 0.000 1.083 263 I CA -0.052 61.027 61.300 -0.369 0.000 1.071 263 I CB 1.776 39.605 38.000 -0.286 0.000 1.210 263 I HN 0.838 nan 8.210 nan 0.000 0.450 264 E N 3.434 123.434 120.200 -0.335 0.000 2.393 264 E HA 0.827 5.177 4.350 -0.000 0.000 0.265 264 E C -0.878 175.757 176.600 0.059 0.000 0.941 264 E CA -1.002 55.348 56.400 -0.083 0.000 0.801 264 E CB 2.604 32.333 29.700 0.047 0.000 1.313 264 E HN 0.576 nan 8.360 nan 0.000 0.435 265 A N 0.627 123.504 122.820 0.096 0.000 2.325 265 A HA 0.688 5.008 4.320 -0.000 0.000 0.333 265 A C -0.667 176.991 177.584 0.124 0.000 1.155 265 A CA -0.591 51.505 52.037 0.098 0.000 0.814 265 A CB 0.821 19.843 19.000 0.037 0.000 1.206 265 A HN 0.341 nan 8.150 nan 0.000 0.482 266 V N -0.345 119.627 119.914 0.096 0.000 2.789 266 V HA 0.824 4.944 4.120 -0.000 0.000 0.311 266 V C 0.120 176.232 176.094 0.030 0.000 1.073 266 V CA -0.116 62.212 62.300 0.046 0.000 0.921 266 V CB 0.939 32.770 31.823 0.015 0.000 1.009 266 V HN 1.241 nan 8.190 nan 0.000 0.426 267 T N -0.809 113.753 114.554 0.014 0.000 2.828 267 T HA 0.262 4.612 4.350 -0.000 0.000 0.290 267 T C 0.593 175.304 174.700 0.020 0.000 1.019 267 T CA 0.235 62.342 62.100 0.012 0.000 1.031 267 T CB 1.006 69.874 68.868 0.001 0.000 1.001 267 T HN 0.706 nan 8.240 nan 0.000 0.531 268 D N -0.117 120.294 120.400 0.019 0.000 2.178 268 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 268 D C 1.871 178.192 176.300 0.034 0.000 0.980 268 D CA 1.160 55.172 54.000 0.021 0.000 0.842 268 D CB -0.137 40.673 40.800 0.016 0.000 0.948 268 D HN 0.859 nan 8.370 nan 0.000 0.472 269 E N 0.446 120.664 120.200 0.031 0.000 2.072 269 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 269 E C 1.660 178.304 176.600 0.074 0.000 0.985 269 E CA 0.865 57.292 56.400 0.045 0.000 0.801 269 E CB 0.136 29.846 29.700 0.017 0.000 0.750 269 E HN 0.301 nan 8.360 nan 0.000 0.452 270 E N 0.225 120.450 120.200 0.042 0.000 2.150 270 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 270 E C 2.129 178.814 176.600 0.141 0.000 0.985 270 E CA 0.908 57.340 56.400 0.053 0.000 0.814 270 E CB 0.003 29.700 29.700 -0.006 0.000 0.752 270 E HN 0.365 nan 8.360 nan 0.000 0.466 271 I N 0.848 121.480 120.570 0.103 0.000 2.179 271 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 271 I C 2.278 178.498 176.117 0.171 0.000 1.088 271 I CA 0.992 62.360 61.300 0.113 0.000 1.357 271 I CB -0.201 37.828 38.000 0.048 0.000 1.051 271 I HN 0.143 nan 8.210 nan 0.000 0.409 272 L N -0.339 120.972 121.223 0.148 0.000 2.046 272 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 272 L C 2.599 179.640 176.870 0.285 0.000 1.077 272 L CA 1.445 56.405 54.840 0.200 0.000 0.747 272 L CB -0.593 41.551 42.059 0.141 0.000 0.896 272 L HN 0.209 nan 8.230 nan 0.000 0.432 273 F N 0.769 120.786 119.950 0.111 0.000 2.102 273 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 273 F C 2.453 178.359 175.800 0.177 0.000 1.105 273 F CA 1.464 59.510 58.000 0.077 0.000 1.239 273 F CB -0.182 38.785 39.000 -0.054 0.000 0.991 273 F HN -0.006 nan 8.300 nan 0.000 0.474 274 A N -0.672 122.405 122.820 0.428 0.000 1.898 274 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 274 A C 2.076 179.871 177.584 0.352 0.000 1.181 274 A CA 1.537 53.863 52.037 0.482 0.000 0.620 274 A CB -1.661 17.597 19.000 0.431 0.000 0.819 274 A HN 0.641 nan 8.150 nan 0.000 0.442 275 Y N 0.922 121.316 120.300 0.156 0.000 2.128 275 Y HA -0.293 4.257 4.550 -0.000 0.000 0.284 275 Y C 2.474 178.422 175.900 0.080 0.000 1.154 275 Y CA 2.524 60.699 58.100 0.124 0.000 1.149 275 Y CB -0.394 38.139 38.460 0.121 0.000 0.976 275 Y HN 0.338 nan 8.280 nan 0.000 0.505 276 R N -0.883 119.630 120.500 0.021 0.000 2.090 276 R HA -0.199 4.140 4.340 -0.000 0.000 0.228 276 R C 2.245 178.428 176.300 -0.195 0.000 1.110 276 R CA 1.580 57.574 56.100 -0.177 0.000 0.973 276 R CB -1.176 29.046 30.300 -0.130 0.000 0.869 276 R HN 0.521 nan 8.270 nan 0.000 0.440 277 Y N 1.044 121.201 120.300 -0.238 0.000 2.097 277 Y HA -0.220 4.330 4.550 -0.000 0.000 0.282 277 Y C 1.693 177.532 175.900 -0.101 0.000 1.152 277 Y CA 2.090 60.085 58.100 -0.175 0.000 1.136 277 Y CB -0.391 38.063 38.460 -0.009 0.000 0.975 277 Y HN 0.063 nan 8.280 nan 0.000 0.498 278 L N -0.163 120.961 121.223 -0.165 0.000 2.012 278 L HA -0.269 4.070 4.340 -0.000 0.000 0.210 278 L C 2.804 179.495 176.870 -0.298 0.000 1.073 278 L CA 1.404 56.097 54.840 -0.245 0.000 0.748 278 L CB -1.073 40.958 42.059 -0.046 0.000 0.891 278 L HN 0.395 nan 8.230 nan 0.000 0.431 279 A N -0.060 122.603 122.820 -0.262 0.000 1.855 279 A HA -0.216 4.103 4.320 -0.000 0.000 0.215 279 A C 2.434 179.847 177.584 -0.285 0.000 1.191 279 A CA 1.697 53.571 52.037 -0.272 0.000 0.613 279 A CB -0.520 18.259 19.000 -0.369 0.000 0.829 279 A HN 0.346 nan 8.150 nan 0.000 0.442 280 R N -0.957 119.363 120.500 -0.299 0.000 2.153 280 R HA -0.050 4.289 4.340 -0.000 0.000 0.218 280 R C 1.381 177.522 176.300 -0.265 0.000 1.072 280 R CA 1.346 57.293 56.100 -0.255 0.000 0.990 280 R CB 0.047 30.214 30.300 -0.222 0.000 0.889 280 R HN 0.446 nan 8.270 nan 0.000 0.452 281 E N -0.272 119.693 120.200 -0.392 0.000 2.290 281 E HA -0.002 4.348 4.350 -0.000 0.000 0.197 281 E C 1.172 177.547 176.600 -0.376 0.000 0.948 281 E CA 0.474 56.626 56.400 -0.413 0.000 0.895 281 E CB 0.470 29.781 29.700 -0.647 0.000 0.865 281 E HN 0.296 nan 8.360 nan 0.000 0.486 282 E N -0.111 119.834 120.200 -0.425 0.000 2.473 282 E HA 0.144 4.493 4.350 -0.000 0.000 0.204 282 E C 0.845 177.319 176.600 -0.211 0.000 0.994 282 E CA 0.516 56.743 56.400 -0.288 0.000 0.945 282 E CB 1.031 30.557 29.700 -0.289 0.000 0.990 282 E HN 0.286 nan 8.360 nan 0.000 0.493 283 G N 2.176 110.848 108.800 -0.214 0.000 2.160 283 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.251 283 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.251 283 G C 0.209 175.022 174.900 -0.145 0.000 1.008 283 G CA 0.337 45.343 45.100 -0.156 0.000 0.724 283 G HN 0.238 nan 8.290 nan 0.000 0.514 284 I N 0.129 120.581 120.570 -0.197 0.000 2.362 284 I HA 0.487 4.657 4.170 -0.000 0.000 0.289 284 I C -0.463 175.582 176.117 -0.119 0.000 0.994 284 I CA -1.109 60.035 61.300 -0.259 0.000 1.158 284 I CB 1.382 39.135 38.000 -0.411 0.000 1.315 284 I HN 0.009 nan 8.210 nan 0.000 0.451 285 F N 8.332 128.132 119.950 -0.250 0.000 2.361 285 F HA 0.535 5.062 4.527 -0.000 0.000 0.364 285 F C 0.066 175.779 175.800 -0.145 0.000 1.117 285 F CA -1.575 56.310 58.000 -0.192 0.000 1.071 285 F CB 0.565 39.498 39.000 -0.112 0.000 1.188 285 F HN 0.580 nan 8.300 nan 0.000 0.464 286 C N 4.284 123.556 119.300 -0.046 0.000 2.779 286 C HA 0.811 5.271 4.460 -0.000 0.000 0.314 286 C C -0.155 174.843 174.990 0.014 0.000 1.231 286 C CA -0.952 58.037 59.018 -0.050 0.000 1.652 286 C CB 1.106 28.908 27.740 0.104 0.000 2.198 286 C HN 0.887 nan 8.230 nan 0.000 0.483 287 E N 1.840 122.042 120.200 0.003 0.000 2.392 287 E HA 0.268 4.618 4.350 -0.000 0.000 0.256 287 E C -2.007 174.648 176.600 0.093 0.000 1.145 287 E CA -0.848 55.583 56.400 0.052 0.000 0.929 287 E CB 0.223 29.924 29.700 0.002 0.000 0.998 287 E HN 0.432 nan 8.360 nan 0.000 0.442 288 P HA -0.308 nan 4.420 nan 0.000 0.216 288 P C 1.244 178.535 177.300 -0.015 0.000 1.157 288 P CA 2.571 65.561 63.100 -0.184 0.000 0.880 288 P CB -0.084 31.434 31.700 -0.302 0.000 0.791 289 A N -0.816 122.006 122.820 0.003 0.000 1.917 289 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 289 A C 2.347 179.972 177.584 0.068 0.000 1.182 289 A CA 2.473 54.530 52.037 0.034 0.000 0.633 289 A CB -1.621 17.401 19.000 0.037 0.000 0.819 289 A HN 0.167 nan 8.150 nan 0.000 0.448 290 S N -0.181 115.574 115.700 0.092 0.000 2.382 290 S HA -0.009 4.461 4.470 -0.000 0.000 0.228 290 S C 2.201 176.869 174.600 0.114 0.000 1.027 290 S CA 1.031 59.299 58.200 0.113 0.000 0.991 290 S CB -0.450 62.832 63.200 0.136 0.000 0.823 290 S HN 0.831 nan 8.310 nan 0.000 0.469 291 A N 1.357 124.262 122.820 0.141 0.000 2.125 291 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 291 A C 2.225 179.873 177.584 0.107 0.000 1.156 291 A CA 1.363 53.499 52.037 0.165 0.000 0.671 291 A CB -0.787 18.378 19.000 0.274 0.000 0.794 291 A HN 0.499 nan 8.150 nan 0.000 0.459 292 A N -0.104 122.763 122.820 0.078 0.000 2.019 292 A HA 0.161 4.480 4.320 -0.000 0.000 0.219 292 A C 2.414 179.989 177.584 -0.014 0.000 1.164 292 A CA 1.807 53.871 52.037 0.046 0.000 0.644 292 A CB -0.766 18.280 19.000 0.077 0.000 0.805 292 A HN 0.978 nan 8.150 nan 0.000 0.449 293 A N -0.924 121.916 122.820 0.035 0.000 1.898 293 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 293 A C 2.151 179.651 177.584 -0.140 0.000 1.181 293 A CA 2.151 54.205 52.037 0.029 0.000 0.620 293 A CB -0.443 18.608 19.000 0.085 0.000 0.819 293 A HN 0.542 nan 8.150 nan 0.000 0.442 294 M N 0.140 119.687 119.600 -0.089 0.000 2.200 294 M HA 0.086 4.566 4.480 -0.000 0.000 0.265 294 M C 2.111 178.299 176.300 -0.186 0.000 1.066 294 M CA 1.505 56.706 55.300 -0.165 0.000 1.127 294 M CB -0.638 31.932 32.600 -0.049 0.000 1.379 294 M HN 0.358 nan 8.290 nan 0.000 0.420 295 A N -0.388 122.400 122.820 -0.053 0.000 1.940 295 A HA -0.015 4.304 4.320 -0.000 0.000 0.219 295 A C 2.339 179.755 177.584 -0.279 0.000 1.176 295 A CA 1.831 53.877 52.037 0.014 0.000 0.631 295 A CB -1.811 17.198 19.000 0.015 0.000 0.814 295 A HN 0.606 nan 8.150 nan 0.000 0.446 296 G N -0.690 107.643 108.800 -0.779 0.000 2.418 296 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.217 296 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.217 296 G C 1.506 175.892 174.900 -0.855 0.000 1.158 296 G CA 1.184 45.258 45.100 -1.709 0.000 0.771 296 G HN 0.320 nan 8.290 nan 0.000 0.545 297 V N 0.271 119.847 119.914 -0.563 0.000 2.295 297 V HA -0.132 3.987 4.120 -0.000 0.000 0.246 297 V C 2.462 178.398 176.094 -0.264 0.000 1.049 297 V CA 1.615 63.703 62.300 -0.354 0.000 1.024 297 V CB -0.660 30.943 31.823 -0.367 0.000 0.648 297 V HN 0.404 nan 8.190 nan 0.000 0.447 298 F N 0.395 120.199 119.950 -0.243 0.000 2.126 298 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 298 F C 2.566 178.249 175.800 -0.194 0.000 1.096 298 F CA 2.129 60.005 58.000 -0.206 0.000 1.255 298 F CB -0.195 38.694 39.000 -0.184 0.000 0.997 298 F HN 0.056 nan 8.300 nan 0.000 0.479 299 K N 0.464 120.860 120.400 -0.008 0.000 2.009 299 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 299 K C 1.935 178.511 176.600 -0.039 0.000 1.049 299 K CA 1.534 57.791 56.287 -0.050 0.000 0.929 299 K CB -0.333 32.120 32.500 -0.077 0.000 0.714 299 K HN 0.113 nan 8.250 nan 0.000 0.440 300 L N 1.411 122.603 121.223 -0.053 0.000 2.131 300 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 300 L C 2.181 179.014 176.870 -0.061 0.000 1.092 300 L CA 1.260 56.075 54.840 -0.042 0.000 0.759 300 L CB -0.463 41.566 42.059 -0.051 0.000 0.903 300 L HN 0.247 nan 8.230 nan 0.000 0.435 301 L N -0.558 120.624 121.223 -0.068 0.000 1.994 301 L HA -0.226 4.113 4.340 -0.000 0.000 0.208 301 L C 2.765 179.617 176.870 -0.031 0.000 1.071 301 L CA 1.610 56.418 54.840 -0.054 0.000 0.745 301 L CB -0.539 41.498 42.059 -0.037 0.000 0.892 301 L HN 0.346 nan 8.230 nan 0.000 0.431 302 R N 0.506 120.992 120.500 -0.023 0.000 2.152 302 R HA -0.165 4.174 4.340 -0.000 0.000 0.232 302 R C 1.329 177.607 176.300 -0.036 0.000 1.117 302 R CA 1.564 57.642 56.100 -0.037 0.000 0.981 302 R CB -0.424 29.838 30.300 -0.063 0.000 0.870 302 R HN 0.446 nan 8.270 nan 0.000 0.451 303 E N 0.286 120.467 120.200 -0.031 0.000 2.479 303 E HA 0.106 4.456 4.350 -0.000 0.000 0.193 303 E C 0.379 176.967 176.600 -0.020 0.000 1.049 303 E CA 0.220 56.605 56.400 -0.024 0.000 0.870 303 E CB 0.670 30.360 29.700 -0.017 0.000 0.944 303 E HN 0.638 nan 8.360 nan 0.000 0.492 304 G N 2.573 111.358 108.800 -0.024 0.000 2.249 304 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.273 304 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.273 304 G C 0.605 175.497 174.900 -0.015 0.000 1.036 304 G CA 0.308 45.396 45.100 -0.020 0.000 0.824 304 G HN 0.275 nan 8.290 nan 0.000 0.504 305 R N -1.017 119.468 120.500 -0.024 0.000 2.507 305 R HA 0.376 4.716 4.340 -0.000 0.000 0.298 305 R C 0.421 176.698 176.300 -0.038 0.000 0.999 305 R CA -0.145 55.947 56.100 -0.014 0.000 1.082 305 R CB 0.522 30.819 30.300 -0.005 0.000 1.246 305 R HN 0.381 nan 8.270 nan 0.000 0.553 306 L N 1.972 123.150 121.223 -0.075 0.000 2.319 306 L HA 0.289 4.629 4.340 -0.000 0.000 0.281 306 L C -0.050 176.821 176.870 0.003 0.000 1.005 306 L CA -0.833 53.913 54.840 -0.157 0.000 0.828 306 L CB 1.852 43.739 42.059 -0.287 0.000 1.227 306 L HN -0.019 nan 8.230 nan 0.000 0.415 307 E N 4.016 124.315 120.200 0.165 0.000 2.414 307 E HA 0.133 4.483 4.350 -0.000 0.000 0.263 307 E C -2.203 174.437 176.600 0.067 0.000 1.000 307 E CA -1.555 54.920 56.400 0.124 0.000 0.914 307 E CB 0.345 30.131 29.700 0.144 0.000 0.948 307 E HN 0.274 nan 8.360 nan 0.000 0.444 308 P HA -0.026 nan 4.420 nan 0.000 0.271 308 P C -0.617 176.659 177.300 -0.040 0.000 1.233 308 P CA 0.119 63.214 63.100 -0.008 0.000 0.789 308 P CB 0.448 32.145 31.700 -0.006 0.000 0.951 309 E N -1.494 118.676 120.200 -0.050 0.000 2.230 309 E HA -0.139 4.211 4.350 -0.000 0.000 0.206 309 E C -0.781 175.681 176.600 -0.231 0.000 1.309 309 E CA 0.961 57.312 56.400 -0.082 0.000 0.697 309 E CB -2.286 27.382 29.700 -0.053 0.000 1.146 309 E HN 0.337 nan 8.360 nan 0.000 0.363 310 S N -0.332 115.241 115.700 -0.212 0.000 2.595 310 S HA 0.611 5.081 4.470 -0.000 0.000 0.281 310 S C -0.163 174.435 174.600 -0.002 0.000 1.117 310 S CA -0.707 57.242 58.200 -0.418 0.000 0.873 310 S CB 2.355 65.488 63.200 -0.111 0.000 1.108 310 S HN 0.128 nan 8.310 nan 0.000 0.477 311 T N 1.911 116.633 114.554 0.279 0.000 2.771 311 T HA 0.568 4.918 4.350 -0.000 0.000 0.281 311 T C -0.750 174.162 174.700 0.353 0.000 0.982 311 T CA -0.388 61.925 62.100 0.355 0.000 0.978 311 T CB 0.904 70.015 68.868 0.406 0.000 0.930 311 T HN 0.343 nan 8.240 nan 0.000 0.447 312 V N 4.360 124.435 119.914 0.268 0.000 2.409 312 V HA 0.451 4.570 4.120 -0.000 0.000 0.291 312 V C -0.173 176.014 176.094 0.155 0.000 1.020 312 V CA -0.771 61.655 62.300 0.210 0.000 0.848 312 V CB 1.763 33.640 31.823 0.090 0.000 0.990 312 V HN 0.665 nan 8.190 nan 0.000 0.430 313 V N 6.610 126.555 119.914 0.051 0.000 2.435 313 V HA 0.497 4.617 4.120 -0.000 0.000 0.290 313 V C -0.163 175.779 176.094 -0.254 0.000 1.030 313 V CA -0.472 61.772 62.300 -0.093 0.000 0.881 313 V CB 1.712 33.389 31.823 -0.244 0.000 0.983 313 V HN 0.638 nan 8.190 nan 0.000 0.445 314 L N 3.817 124.985 121.223 -0.093 0.000 2.307 314 L HA 0.519 4.859 4.340 -0.000 0.000 0.284 314 L C 0.252 177.161 176.870 0.065 0.000 1.023 314 L CA -0.306 54.524 54.840 -0.016 0.000 0.810 314 L CB 1.862 43.927 42.059 0.011 0.000 1.231 314 L HN 0.509 nan 8.230 nan 0.000 0.423 315 T N 4.613 119.274 114.554 0.178 0.000 2.811 315 T HA 0.385 4.734 4.350 -0.000 0.000 0.309 315 T C 0.188 174.979 174.700 0.152 0.000 1.005 315 T CA -0.326 61.918 62.100 0.241 0.000 0.955 315 T CB -0.002 69.070 68.868 0.340 0.000 0.970 315 T HN 0.291 nan 8.240 nan 0.000 0.496 316 L N 4.548 125.877 121.223 0.176 0.000 2.334 316 L HA 0.173 4.513 4.340 -0.000 0.000 0.286 316 L C 2.218 179.228 176.870 0.233 0.000 1.108 316 L CA -0.527 54.425 54.840 0.187 0.000 0.875 316 L CB 0.163 42.341 42.059 0.198 0.000 1.246 316 L HN 0.767 nan 8.230 nan 0.000 0.439 317 T N -0.785 113.889 114.554 0.200 0.000 2.759 317 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 317 T C 0.884 175.792 174.700 0.347 0.000 1.042 317 T CA 0.904 63.199 62.100 0.324 0.000 1.140 317 T CB -0.048 69.014 68.868 0.325 0.000 0.864 317 T HN 0.608 nan 8.240 nan 0.000 0.455 318 G N -0.365 108.567 108.800 0.220 0.000 2.706 318 G HA2 0.481 4.441 3.960 -0.000 0.000 0.297 318 G HA3 0.481 4.441 3.960 -0.000 0.000 0.297 318 G C -1.529 173.435 174.900 0.106 0.000 1.403 318 G CA -0.750 44.438 45.100 0.146 0.000 0.954 318 G HN 0.334 nan 8.290 nan 0.000 0.500 319 H N 0.617 119.674 119.070 -0.023 0.000 2.790 319 H HA 0.169 4.725 4.556 -0.000 0.000 0.358 319 H C 1.731 176.916 175.328 -0.238 0.000 1.103 319 H CA 1.042 57.043 56.048 -0.078 0.000 1.426 319 H CB 1.612 31.302 29.762 -0.119 0.000 1.424 319 H HN 0.571 nan 8.280 nan 0.000 0.599 320 G N 4.345 112.783 108.800 -0.603 0.000 2.462 320 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 320 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 320 G C 1.799 176.300 174.900 -0.664 0.000 1.121 320 G CA 0.286 44.577 45.100 -1.349 0.000 0.758 320 G HN 0.650 nan 8.290 nan 0.000 0.559 321 L N -0.056 121.152 121.223 -0.025 0.000 2.450 321 L HA -0.022 4.318 4.340 -0.000 0.000 0.224 321 L C 2.648 179.542 176.870 0.039 0.000 1.149 321 L CA 0.494 55.397 54.840 0.105 0.000 0.816 321 L CB -0.149 41.929 42.059 0.032 0.000 0.932 321 L HN 0.099 nan 8.230 nan 0.000 0.449 322 K N -0.150 120.253 120.400 0.006 0.000 2.148 322 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 322 K C 0.353 176.968 176.600 0.024 0.000 1.050 322 K CA 0.904 57.198 56.287 0.012 0.000 0.942 322 K CB -0.094 32.412 32.500 0.010 0.000 0.724 322 K HN 0.177 nan 8.250 nan 0.000 0.446 323 D N 0.019 120.438 120.400 0.032 0.000 2.552 323 D HA 0.113 4.753 4.640 -0.000 0.000 0.285 323 D C -1.844 174.542 176.300 0.143 0.000 1.206 323 D CA -1.745 52.292 54.000 0.062 0.000 0.826 323 D CB 1.048 41.866 40.800 0.031 0.000 1.179 323 D HN -0.149 nan 8.370 nan 0.000 0.508 324 P HA -0.125 nan 4.420 nan 0.000 0.220 324 P C 1.319 178.731 177.300 0.186 0.000 1.148 324 P CA 0.652 63.889 63.100 0.229 0.000 0.803 324 P CB 0.295 32.097 31.700 0.170 0.000 0.782 325 A N 0.160 123.052 122.820 0.121 0.000 1.978 325 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 325 A C 2.218 179.863 177.584 0.101 0.000 1.170 325 A CA 2.174 54.264 52.037 0.089 0.000 0.636 325 A CB -1.828 17.203 19.000 0.052 0.000 0.810 325 A HN 0.226 nan 8.150 nan 0.000 0.448 326 T N -0.023 114.604 114.554 0.122 0.000 3.072 326 T HA 0.179 4.529 4.350 -0.000 0.000 0.266 326 T C 2.037 176.879 174.700 0.235 0.000 1.127 326 T CA 0.848 63.011 62.100 0.104 0.000 1.107 326 T CB -0.224 68.615 68.868 -0.048 0.000 0.910 326 T HN 0.591 nan 8.240 nan 0.000 0.513 327 A N 1.813 124.816 122.820 0.305 0.000 1.940 327 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 327 A C 2.111 179.785 177.584 0.151 0.000 1.176 327 A CA 1.543 53.743 52.037 0.271 0.000 0.631 327 A CB -0.528 18.572 19.000 0.166 0.000 0.814 327 A HN 0.555 nan 8.150 nan 0.000 0.446 328 E N -0.479 119.788 120.200 0.112 0.000 2.463 328 E HA -0.155 4.194 4.350 -0.000 0.000 0.201 328 E C 1.678 178.321 176.600 0.071 0.000 1.045 328 E CA 0.353 56.795 56.400 0.071 0.000 0.872 328 E CB -0.018 29.716 29.700 0.056 0.000 0.797 328 E HN 0.491 nan 8.360 nan 0.000 0.538 329 R N -0.307 120.253 120.500 0.100 0.000 2.246 329 R HA -0.006 4.334 4.340 -0.000 0.000 0.199 329 R C 1.932 178.292 176.300 0.099 0.000 0.984 329 R CA 0.914 57.067 56.100 0.088 0.000 1.015 329 R CB 0.653 31.002 30.300 0.080 0.000 0.930 329 R HN 0.187 nan 8.270 nan 0.000 0.475 330 V N -4.064 115.922 119.914 0.121 0.000 3.432 330 V HA 0.594 4.713 4.120 -0.000 0.000 0.298 330 V C 0.240 176.353 176.094 0.032 0.000 1.464 330 V CA -0.006 62.349 62.300 0.092 0.000 1.046 330 V CB 0.568 32.475 31.823 0.139 0.000 0.887 330 V HN 0.069 nan 8.190 nan 0.000 0.441 331 A N 0.279 123.116 122.820 0.027 0.000 2.612 331 A HA 0.830 5.149 4.320 -0.000 0.000 0.293 331 A C -1.502 176.085 177.584 0.005 0.000 1.075 331 A CA -0.431 51.605 52.037 -0.003 0.000 0.680 331 A CB 2.013 20.992 19.000 -0.035 0.000 1.279 331 A HN 0.301 nan 8.150 nan 0.000 0.411 332 E N 0.113 120.311 120.200 -0.004 0.000 2.199 332 E HA 0.592 4.942 4.350 -0.000 0.000 0.269 332 E C -1.634 174.962 176.600 -0.006 0.000 0.899 332 E CA -0.553 55.848 56.400 0.000 0.000 0.772 332 E CB 1.548 31.249 29.700 0.002 0.000 1.155 332 E HN 0.684 nan 8.360 nan 0.000 0.408 333 L N 6.281 127.503 121.223 -0.002 0.000 2.283 333 L HA 0.481 4.821 4.340 -0.000 0.000 0.287 333 L C -2.307 174.561 176.870 -0.004 0.000 1.073 333 L CA -1.573 53.264 54.840 -0.005 0.000 0.822 333 L CB 0.483 42.542 42.059 0.000 0.000 1.186 333 L HN 0.529 nan 8.230 nan 0.000 0.436 334 P HA 0.186 nan 4.420 nan 0.000 0.268 334 P C -2.451 174.847 177.300 -0.004 0.000 1.205 334 P CA -0.720 62.376 63.100 -0.006 0.000 0.771 334 P CB -0.266 31.429 31.700 -0.009 0.000 0.858 335 P HA 0.198 nan 4.420 nan 0.000 0.269 335 P C -2.415 174.883 177.300 -0.003 0.000 1.215 335 P CA -0.983 62.116 63.100 -0.002 0.000 0.780 335 P CB -0.576 31.123 31.700 -0.001 0.000 0.898 336 P HA 0.106 nan 4.420 nan 0.000 0.269 336 P C -0.372 176.927 177.300 -0.003 0.000 1.215 336 P CA -0.099 62.999 63.100 -0.003 0.000 0.780 336 P CB 0.308 32.007 31.700 -0.002 0.000 0.898 337 V N -0.425 119.487 119.914 -0.003 0.000 3.126 337 V HA 0.739 4.858 4.120 -0.000 0.000 0.314 337 V C -2.551 173.542 176.094 -0.003 0.000 1.138 337 V CA -2.461 59.837 62.300 -0.003 0.000 1.034 337 V CB 0.506 32.327 31.823 -0.004 0.000 1.075 337 V HN 0.331 nan 8.190 nan 0.000 0.442 338 P HA 0.416 nan 4.420 nan 0.000 0.269 338 P C -0.209 177.089 177.300 -0.003 0.000 1.215 338 P CA -0.001 63.097 63.100 -0.003 0.000 0.780 338 P CB 0.539 32.238 31.700 -0.002 0.000 0.898 339 A N 3.038 125.856 122.820 -0.003 0.000 3.077 339 A HA 0.178 4.498 4.320 -0.000 0.000 0.255 339 A C 0.224 177.806 177.584 -0.003 0.000 1.728 339 A CA -0.077 51.958 52.037 -0.003 0.000 1.383 339 A CB -0.846 18.152 19.000 -0.003 0.000 1.097 339 A HN 0.426 nan 8.150 nan 0.000 0.634 340 R N 0.446 120.944 120.500 -0.003 0.000 2.670 340 R HA 0.349 4.689 4.340 -0.000 0.000 0.289 340 R C 0.810 177.108 176.300 -0.003 0.000 0.965 340 R CA -0.975 55.123 56.100 -0.003 0.000 0.899 340 R CB 1.285 31.583 30.300 -0.003 0.000 1.173 340 R HN 0.330 nan 8.270 nan 0.000 0.456 341 L N 1.977 123.198 121.223 -0.003 0.000 2.013 341 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 341 L C 1.801 178.669 176.870 -0.004 0.000 1.073 341 L CA 2.075 56.913 54.840 -0.004 0.000 0.753 341 L CB -0.311 41.746 42.059 -0.004 0.000 0.890 341 L HN 0.776 nan 8.230 nan 0.000 0.432 342 E N 0.018 120.216 120.200 -0.004 0.000 2.049 342 E HA -0.233 4.117 4.350 -0.000 0.000 0.198 342 E C 2.088 178.685 176.600 -0.004 0.000 1.007 342 E CA 1.699 58.096 56.400 -0.004 0.000 0.809 342 E CB -0.089 29.609 29.700 -0.003 0.000 0.749 342 E HN 0.590 nan 8.360 nan 0.000 0.450 343 A N 0.501 123.318 122.820 -0.004 0.000 1.933 343 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 343 A C 2.601 180.182 177.584 -0.005 0.000 1.175 343 A CA 1.628 53.663 52.037 -0.004 0.000 0.628 343 A CB -0.617 18.381 19.000 -0.004 0.000 0.814 343 A HN 0.176 nan 8.150 nan 0.000 0.444 344 V N -0.258 119.653 119.914 -0.005 0.000 2.307 344 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 344 V C 3.068 179.158 176.094 -0.007 0.000 1.045 344 V CA 1.873 64.169 62.300 -0.006 0.000 1.024 344 V CB -1.246 30.573 31.823 -0.006 0.000 0.651 344 V HN 0.610 nan 8.190 nan 0.000 0.449 345 A N 0.024 122.840 122.820 -0.006 0.000 1.908 345 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 345 A C 2.410 179.990 177.584 -0.007 0.000 1.181 345 A CA 2.283 54.316 52.037 -0.006 0.000 0.627 345 A CB -0.789 18.208 19.000 -0.006 0.000 0.818 345 A HN 0.577 nan 8.150 nan 0.000 0.445 346 A N -0.195 122.622 122.820 -0.006 0.000 1.873 346 A HA 0.185 4.505 4.320 -0.000 0.000 0.215 346 A C 2.520 180.100 177.584 -0.007 0.000 1.186 346 A CA 2.062 54.095 52.037 -0.006 0.000 0.616 346 A CB -1.091 17.906 19.000 -0.005 0.000 0.823 346 A HN 1.122 nan 8.150 nan 0.000 0.442 347 A N -0.340 122.475 122.820 -0.007 0.000 1.972 347 A HA 0.190 4.510 4.320 -0.000 0.000 0.219 347 A C 2.246 179.824 177.584 -0.010 0.000 1.169 347 A CA 1.859 53.891 52.037 -0.008 0.000 0.635 347 A CB -0.738 18.258 19.000 -0.008 0.000 0.810 347 A HN 1.113 nan 8.150 nan 0.000 0.446 348 A N -1.586 121.228 122.820 -0.010 0.000 2.238 348 A HA 0.413 4.733 4.320 -0.000 0.000 0.208 348 A C 1.739 179.316 177.584 -0.012 0.000 1.177 348 A CA 1.094 53.124 52.037 -0.012 0.000 0.804 348 A CB -1.056 17.938 19.000 -0.011 0.000 0.823 348 A HN 1.864 nan 8.150 nan 0.000 0.482 349 G N -1.345 107.449 108.800 -0.010 0.000 2.225 349 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.267 349 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.267 349 G C 0.374 175.268 174.900 -0.009 0.000 1.024 349 G CA 0.540 45.634 45.100 -0.010 0.000 0.784 349 G HN 0.383 nan 8.290 nan 0.000 0.507 350 L N -0.869 120.349 121.223 -0.009 0.000 2.607 350 L HA 0.482 4.822 4.340 -0.000 0.000 0.228 350 L C 1.704 178.570 176.870 -0.007 0.000 1.123 350 L CA 0.526 55.361 54.840 -0.008 0.000 0.890 350 L CB -0.252 41.802 42.059 -0.008 0.000 1.103 350 L HN 0.401 nan 8.230 nan 0.000 0.468 351 L N 0.000 121.219 121.223 -0.006 0.000 2.949 351 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 351 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 351 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 351 L HN 0.000 nan 8.230 nan 0.000 0.502