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_B 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 0.000 176.308 176.300 0.014 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 R N 5.533 126.040 120.500 0.011 0.000 2.868 2 R HA 0.532 4.871 4.340 -0.001 0.000 0.262 2 R C -3.157 173.149 176.300 0.009 0.000 1.163 2 R CA -0.552 55.556 56.100 0.014 0.000 1.105 2 R CB 2.063 32.377 30.300 0.022 0.000 1.270 2 R HN 0.474 nan 8.270 nan 0.000 0.437 3 P HA 0.410 nan 4.420 nan 0.000 0.281 3 P C -2.762 174.543 177.300 0.010 0.000 1.264 3 P CA -1.845 61.253 63.100 -0.003 0.000 0.824 3 P CB 0.800 32.486 31.700 -0.023 0.000 1.092 4 P HA 0.017 nan 4.420 nan 0.000 0.268 4 P C 1.085 178.409 177.300 0.039 0.000 1.204 4 P CA -0.158 62.963 63.100 0.035 0.000 0.768 4 P CB 0.270 31.990 31.700 0.033 0.000 0.842 5 L N 4.763 126.027 121.223 0.068 0.000 2.079 5 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 5 L C 1.832 178.767 176.870 0.109 0.000 1.081 5 L CA 1.805 56.703 54.840 0.098 0.000 0.752 5 L CB -0.893 41.236 42.059 0.116 0.000 0.896 5 L HN 0.405 nan 8.230 nan 0.000 0.433 6 I N -0.739 119.878 120.570 0.078 0.000 2.361 6 I HA -0.235 3.935 4.170 -0.001 0.000 0.251 6 I C 2.299 178.451 176.117 0.058 0.000 1.133 6 I CA 0.912 62.255 61.300 0.072 0.000 1.413 6 I CB -0.342 37.682 38.000 0.039 0.000 1.073 6 I HN 0.320 nan 8.210 nan 0.000 0.424 7 E N 0.430 120.646 120.200 0.027 0.000 2.072 7 E HA -0.187 4.163 4.350 -0.001 0.000 0.190 7 E C 2.132 178.706 176.600 -0.043 0.000 0.982 7 E CA 0.741 57.140 56.400 -0.001 0.000 0.803 7 E CB -0.330 29.364 29.700 -0.009 0.000 0.755 7 E HN 0.412 nan 8.360 nan 0.000 0.453 8 R N -0.160 120.282 120.500 -0.096 0.000 2.091 8 R HA -0.154 4.185 4.340 -0.001 0.000 0.238 8 R C 0.788 176.833 176.300 -0.426 0.000 1.136 8 R CA 1.399 57.322 56.100 -0.295 0.000 0.959 8 R CB -0.072 29.983 30.300 -0.409 0.000 0.856 8 R HN 0.192 nan 8.270 nan 0.000 0.437 9 Y N -0.440 119.906 120.300 0.077 0.000 2.734 9 Y HA 0.265 4.815 4.550 -0.000 0.000 0.278 9 Y C 1.448 177.396 175.900 0.080 0.000 1.108 9 Y CA -0.618 57.544 58.100 0.104 0.000 1.211 9 Y CB 0.388 38.974 38.460 0.210 0.000 1.182 9 Y HN 0.042 nan 8.280 nan 0.000 0.547 10 R N 0.955 121.531 120.500 0.126 0.000 2.113 10 R HA -0.233 4.107 4.340 -0.001 0.000 0.244 10 R C 1.189 177.544 176.300 0.092 0.000 1.142 10 R CA 2.366 58.519 56.100 0.088 0.000 0.953 10 R CB -0.017 30.307 30.300 0.040 0.000 0.860 10 R HN 0.315 nan 8.270 nan 0.000 0.438 11 N N 0.201 118.952 118.700 0.084 0.000 2.443 11 N HA -0.104 4.635 4.740 -0.001 0.000 0.184 11 N C 0.946 176.509 175.510 0.087 0.000 1.037 11 N CA 0.929 54.019 53.050 0.066 0.000 0.896 11 N CB 0.084 38.594 38.487 0.039 0.000 0.959 11 N HN 0.345 nan 8.380 nan 0.000 0.442 12 L N -0.200 121.111 121.223 0.147 0.000 2.857 12 L HA 0.333 4.672 4.340 -0.001 0.000 0.249 12 L C -0.174 176.806 176.870 0.183 0.000 1.172 12 L CA 0.011 54.953 54.840 0.170 0.000 0.980 12 L CB 0.305 42.491 42.059 0.212 0.000 1.299 12 L HN -0.057 nan 8.230 nan 0.000 0.535 13 L N 0.331 121.640 121.223 0.143 0.000 2.323 13 L HA 0.460 4.800 4.340 -0.001 0.000 0.265 13 L C -1.943 174.972 176.870 0.074 0.000 1.012 13 L CA -1.644 53.261 54.840 0.108 0.000 0.820 13 L CB 1.910 44.030 42.059 0.102 0.000 1.334 13 L HN -0.185 nan 8.230 nan 0.000 0.427 14 P HA 0.083 nan 4.420 nan 0.000 0.226 14 P C -0.785 176.524 177.300 0.015 0.000 1.783 14 P CA 0.123 63.261 63.100 0.064 0.000 0.980 14 P CB -0.192 31.587 31.700 0.133 0.000 1.967 15 V N -1.399 118.523 119.914 0.015 0.000 3.141 15 V HA 0.918 5.037 4.120 -0.001 0.000 0.312 15 V C -0.111 175.989 176.094 0.010 0.000 1.157 15 V CA -0.918 61.380 62.300 -0.004 0.000 1.041 15 V CB 1.885 33.704 31.823 -0.007 0.000 1.071 15 V HN 0.362 nan 8.190 nan 0.000 0.441 16 S N -0.125 115.578 115.700 0.004 0.000 2.819 16 S HA 0.480 4.950 4.470 -0.001 0.000 0.299 16 S C 0.637 175.240 174.600 0.005 0.000 1.192 16 S CA 0.110 58.315 58.200 0.008 0.000 0.847 16 S CB 1.472 64.678 63.200 0.009 0.000 1.224 16 S HN 1.160 nan 8.310 nan 0.000 0.537 17 E N 1.556 121.759 120.200 0.005 0.000 2.265 17 E HA -0.182 4.167 4.350 -0.001 0.000 0.196 17 E C 1.177 177.778 176.600 0.003 0.000 0.996 17 E CA 1.361 57.763 56.400 0.004 0.000 0.832 17 E CB -0.619 29.083 29.700 0.004 0.000 0.756 17 E HN 0.863 nan 8.360 nan 0.000 0.491 18 K N 0.654 121.056 120.400 0.003 0.000 2.458 18 K HA 0.139 4.458 4.320 -0.001 0.000 0.194 18 K C -0.063 176.536 176.600 -0.002 0.000 1.024 18 K CA 0.067 56.355 56.287 0.002 0.000 1.108 18 K CB -0.043 32.459 32.500 0.004 0.000 0.846 18 K HN -0.188 nan 8.250 nan 0.000 0.518 19 T N 4.576 119.127 114.554 -0.005 0.000 2.737 19 T HA 0.208 4.558 4.350 -0.001 0.000 0.296 19 T C -2.546 172.148 174.700 -0.009 0.000 0.922 19 T CA -1.336 60.756 62.100 -0.014 0.000 1.079 19 T CB 1.144 69.997 68.868 -0.024 0.000 0.892 19 T HN 0.098 nan 8.240 nan 0.000 0.514 20 P HA 0.196 nan 4.420 nan 0.000 0.276 20 P C -0.607 176.695 177.300 0.003 0.000 1.253 20 P CA -0.419 62.681 63.100 0.000 0.000 0.766 20 P CB 0.385 32.086 31.700 0.003 0.000 0.845 21 V N 6.033 125.952 119.914 0.009 0.000 2.352 21 V HA 0.070 4.190 4.120 -0.001 0.000 0.253 21 V C 0.531 176.646 176.094 0.036 0.000 1.083 21 V CA -0.090 62.221 62.300 0.019 0.000 0.993 21 V CB -0.384 31.450 31.823 0.018 0.000 1.111 21 V HN 0.398 nan 8.190 nan 0.000 0.490 22 I N 4.527 125.130 120.570 0.055 0.000 2.256 22 I HA 0.313 4.482 4.170 -0.001 0.000 0.294 22 I C 0.518 176.742 176.117 0.178 0.000 1.127 22 I CA 0.730 62.088 61.300 0.097 0.000 1.247 22 I CB 0.400 38.472 38.000 0.120 0.000 1.460 22 I HN 0.548 nan 8.210 nan 0.000 0.511 23 S N 5.837 121.609 115.700 0.119 0.000 2.568 23 S HA 0.709 5.178 4.470 -0.001 0.000 0.293 23 S C 0.134 174.744 174.600 0.015 0.000 1.089 23 S CA -0.498 57.791 58.200 0.148 0.000 0.945 23 S CB 1.697 64.956 63.200 0.098 0.000 1.077 23 S HN 0.541 nan 8.310 nan 0.000 0.485 24 L N 3.589 124.801 121.223 -0.018 0.000 3.122 24 L HA 0.496 4.835 4.340 -0.001 0.000 0.274 24 L C -0.564 176.288 176.870 -0.030 0.000 1.222 24 L CA -0.106 54.655 54.840 -0.132 0.000 1.028 24 L CB -0.003 41.836 42.059 -0.365 0.000 1.386 24 L HN 0.741 nan 8.230 nan 0.000 0.578 25 L N 1.606 122.846 121.223 0.028 0.000 3.523 25 L HA -0.186 4.153 4.340 -0.001 0.000 0.668 25 L C 0.197 177.100 176.870 0.055 0.000 1.211 25 L CA 0.170 55.032 54.840 0.037 0.000 1.096 25 L CB -1.242 40.825 42.059 0.014 0.000 1.617 25 L HN 0.433 nan 8.230 nan 0.000 0.873 26 E N 1.244 121.501 120.200 0.095 0.000 2.284 26 E HA 0.818 5.168 4.350 -0.001 0.000 0.255 26 E C 0.839 177.495 176.600 0.092 0.000 1.052 26 E CA 0.121 56.585 56.400 0.107 0.000 0.904 26 E CB 1.302 31.102 29.700 0.167 0.000 1.217 26 E HN 0.509 nan 8.360 nan 0.000 0.438 27 G N 0.143 108.999 108.800 0.094 0.000 2.750 27 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.228 27 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.228 27 G C -0.029 174.927 174.900 0.093 0.000 1.367 27 G CA 0.404 45.564 45.100 0.101 0.000 0.871 27 G HN 1.342 nan 8.290 nan 0.000 0.560 28 S N -1.051 114.714 115.700 0.108 0.000 3.614 28 S HA -0.184 4.286 4.470 -0.001 0.000 0.360 28 S C 0.895 175.547 174.600 0.087 0.000 1.023 28 S CA 2.518 60.774 58.200 0.092 0.000 1.114 28 S CB -2.166 61.072 63.200 0.063 0.000 0.907 28 S HN 2.353 nan 8.310 nan 0.000 0.470 29 T N 0.301 114.914 114.554 0.099 0.000 2.882 29 T HA 0.555 4.905 4.350 -0.001 0.000 0.287 29 T C -2.078 172.698 174.700 0.127 0.000 1.014 29 T CA -1.741 60.423 62.100 0.106 0.000 1.049 29 T CB 0.819 69.757 68.868 0.117 0.000 1.001 29 T HN 0.115 nan 8.240 nan 0.000 0.525 30 P HA 0.246 nan 4.420 nan 0.000 0.275 30 P C -0.968 176.441 177.300 0.182 0.000 1.228 30 P CA -0.642 62.554 63.100 0.161 0.000 0.786 30 P CB 0.600 32.406 31.700 0.176 0.000 0.927 31 L N 4.508 125.827 121.223 0.159 0.000 2.335 31 L HA 0.373 4.712 4.340 -0.001 0.000 0.268 31 L C -0.268 176.727 176.870 0.207 0.000 1.037 31 L CA -0.563 54.381 54.840 0.174 0.000 0.895 31 L CB -0.433 41.703 42.059 0.128 0.000 1.266 31 L HN 0.210 nan 8.230 nan 0.000 0.439 32 I N 7.144 127.817 120.570 0.170 0.000 2.396 32 I HA 0.250 4.420 4.170 -0.001 0.000 0.289 32 I C -1.832 174.338 176.117 0.088 0.000 1.056 32 I CA -1.594 59.774 61.300 0.113 0.000 1.365 32 I CB 0.717 38.734 38.000 0.028 0.000 1.407 32 I HN 0.455 nan 8.210 nan 0.000 0.509 33 P HA 0.196 nan 4.420 nan 0.000 0.282 33 P C -0.631 176.555 177.300 -0.190 0.000 1.262 33 P CA -0.126 62.847 63.100 -0.211 0.000 0.773 33 P CB 0.870 32.490 31.700 -0.133 0.000 0.879 34 L N 3.966 125.043 121.223 -0.243 0.000 2.418 34 L HA 0.228 4.568 4.340 -0.001 0.000 0.265 34 L C 1.914 178.713 176.870 -0.119 0.000 1.143 34 L CA -0.500 54.257 54.840 -0.140 0.000 0.809 34 L CB 0.618 42.620 42.059 -0.094 0.000 1.124 34 L HN 0.355 nan 8.230 nan 0.000 0.456 35 K N 1.184 121.546 120.400 -0.065 0.000 2.103 35 K HA 0.015 4.335 4.320 -0.001 0.000 0.204 35 K C 0.935 177.530 176.600 -0.007 0.000 1.052 35 K CA 1.105 57.369 56.287 -0.039 0.000 0.945 35 K CB 0.102 32.586 32.500 -0.026 0.000 0.722 35 K HN 0.867 nan 8.250 nan 0.000 0.443 36 G N 0.613 109.442 108.800 0.048 0.000 3.253 36 G HA2 0.260 4.219 3.960 -0.001 0.000 0.175 36 G HA3 0.260 4.219 3.960 -0.001 0.000 0.175 36 G C -2.747 172.164 174.900 0.018 0.000 1.098 36 G CA -0.682 44.457 45.100 0.066 0.000 0.790 36 G HN -0.120 nan 8.290 nan 0.000 0.648 37 P HA 0.188 nan 4.420 nan 0.000 0.277 37 P C 0.226 177.551 177.300 0.041 0.000 1.276 37 P CA -0.165 62.955 63.100 0.034 0.000 0.788 37 P CB 1.482 33.102 31.700 -0.133 0.000 1.114 38 E N 0.484 120.734 120.200 0.082 0.000 2.085 38 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 38 E C 1.696 178.313 176.600 0.027 0.000 0.994 38 E CA 1.701 58.133 56.400 0.054 0.000 0.801 38 E CB -0.452 29.287 29.700 0.065 0.000 0.743 38 E HN 0.420 nan 8.360 nan 0.000 0.453 39 E N 0.243 120.463 120.200 0.033 0.000 2.160 39 E HA -0.139 4.211 4.350 -0.001 0.000 0.195 39 E C 1.783 178.372 176.600 -0.019 0.000 0.991 39 E CA 1.234 57.641 56.400 0.012 0.000 0.810 39 E CB -0.184 29.536 29.700 0.033 0.000 0.742 39 E HN 0.285 nan 8.360 nan 0.000 0.466 40 A N 0.660 123.456 122.820 -0.040 0.000 1.874 40 A HA -0.058 4.261 4.320 -0.001 0.000 0.214 40 A C 2.119 179.681 177.584 -0.037 0.000 1.189 40 A CA 1.259 53.259 52.037 -0.061 0.000 0.615 40 A CB -0.358 18.581 19.000 -0.101 0.000 0.830 40 A HN 0.110 nan 8.150 nan 0.000 0.443 41 R N 0.194 120.679 120.500 -0.024 0.000 2.105 41 R HA -0.146 4.194 4.340 -0.001 0.000 0.239 41 R C 1.932 178.226 176.300 -0.009 0.000 1.135 41 R CA 1.911 58.002 56.100 -0.014 0.000 0.967 41 R CB -0.237 30.061 30.300 -0.003 0.000 0.861 41 R HN 0.480 nan 8.270 nan 0.000 0.442 42 K N -0.430 119.966 120.400 -0.007 0.000 2.280 42 K HA -0.119 4.200 4.320 -0.001 0.000 0.202 42 K C 1.284 177.879 176.600 -0.008 0.000 1.047 42 K CA 1.080 57.364 56.287 -0.005 0.000 0.942 42 K CB 0.154 32.652 32.500 -0.003 0.000 0.739 42 K HN -0.060 nan 8.250 nan 0.000 0.457 43 K N -0.734 119.658 120.400 -0.014 0.000 2.372 43 K HA 0.109 4.429 4.320 -0.001 0.000 0.200 43 K C 0.476 177.068 176.600 -0.013 0.000 1.022 43 K CA 0.351 56.629 56.287 -0.016 0.000 1.125 43 K CB 0.916 33.401 32.500 -0.024 0.000 0.855 43 K HN 0.247 nan 8.250 nan 0.000 0.524 44 G N 1.125 109.919 108.800 -0.010 0.000 2.166 44 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.260 44 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.260 44 G C 0.080 174.978 174.900 -0.003 0.000 0.986 44 G CA 0.191 45.289 45.100 -0.004 0.000 0.683 44 G HN 0.306 nan 8.290 nan 0.000 0.527 45 I N 0.594 121.156 120.570 -0.014 0.000 2.471 45 I HA 0.300 4.470 4.170 -0.001 0.000 0.286 45 I C 1.019 177.127 176.117 -0.015 0.000 1.079 45 I CA -0.193 61.101 61.300 -0.010 0.000 1.398 45 I CB 0.678 38.658 38.000 -0.034 0.000 1.403 45 I HN 0.045 nan 8.210 nan 0.000 0.530 46 R N 5.770 126.282 120.500 0.019 0.000 2.393 46 R HA 0.639 4.978 4.340 -0.001 0.000 0.310 46 R C -1.326 174.951 176.300 -0.039 0.000 0.968 46 R CA -0.929 55.150 56.100 -0.034 0.000 0.867 46 R CB 1.640 31.950 30.300 0.016 0.000 1.124 46 R HN 0.354 nan 8.270 nan 0.000 0.450 47 L N 3.360 124.472 121.223 -0.184 0.000 2.334 47 L HA 0.471 4.811 4.340 -0.001 0.000 0.276 47 L C -1.090 175.593 176.870 -0.311 0.000 1.014 47 L CA -0.476 54.284 54.840 -0.134 0.000 0.815 47 L CB 1.127 43.114 42.059 -0.119 0.000 1.268 47 L HN 0.475 nan 8.230 nan 0.000 0.428 48 Y N 1.000 121.293 120.300 -0.010 0.000 2.425 48 Y HA 0.733 5.283 4.550 -0.001 0.000 0.344 48 Y C 0.003 175.894 175.900 -0.016 0.000 0.969 48 Y CA -1.070 57.027 58.100 -0.004 0.000 1.052 48 Y CB 2.130 40.597 38.460 0.012 0.000 1.215 48 Y HN 0.578 nan 8.280 nan 0.000 0.451 49 A N 3.001 125.896 122.820 0.125 0.000 2.256 49 A HA 0.568 4.887 4.320 -0.001 0.000 0.317 49 A C -0.697 176.965 177.584 0.130 0.000 1.318 49 A CA -0.911 51.170 52.037 0.074 0.000 0.894 49 A CB 0.408 19.390 19.000 -0.031 0.000 1.165 49 A HN 0.545 nan 8.150 nan 0.000 0.525 50 K N 2.417 122.911 120.400 0.156 0.000 2.262 50 K HA 0.136 4.456 4.320 -0.001 0.000 0.288 50 K C -0.943 175.814 176.600 0.262 0.000 1.090 50 K CA -0.131 56.274 56.287 0.196 0.000 0.918 50 K CB -0.265 32.353 32.500 0.196 0.000 1.139 50 K HN 0.512 nan 8.250 nan 0.000 0.462 51 Y N 4.663 125.027 120.300 0.107 0.000 2.568 51 Y HA 0.095 4.645 4.550 -0.001 0.000 0.338 51 Y C 0.367 176.339 175.900 0.121 0.000 1.245 51 Y CA -0.430 57.730 58.100 0.100 0.000 1.667 51 Y CB 0.116 38.627 38.460 0.087 0.000 1.568 51 Y HN 0.676 nan 8.280 nan 0.000 0.471 52 E N 1.979 122.348 120.200 0.282 0.000 2.478 52 E HA -0.058 4.292 4.350 -0.001 0.000 0.198 52 E C 1.978 178.629 176.600 0.085 0.000 1.046 52 E CA 0.608 57.121 56.400 0.189 0.000 0.870 52 E CB 0.027 29.897 29.700 0.282 0.000 0.818 52 E HN 0.882 nan 8.360 nan 0.000 0.527 53 G N 0.521 109.293 108.800 -0.048 0.000 2.598 53 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.215 53 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.215 53 G C 1.294 176.069 174.900 -0.209 0.000 1.131 53 G CA -0.023 44.993 45.100 -0.140 0.000 0.785 53 G HN 0.212 nan 8.290 nan 0.000 0.539 54 L N 0.717 121.765 121.223 -0.291 0.000 2.653 54 L HA 0.222 4.562 4.340 -0.001 0.000 0.232 54 L C 0.451 177.292 176.870 -0.048 0.000 1.169 54 L CA -0.446 54.293 54.840 -0.169 0.000 0.951 54 L CB -0.347 41.612 42.059 -0.167 0.000 1.181 54 L HN 0.063 nan 8.230 nan 0.000 0.460 55 N N 0.848 119.541 118.700 -0.012 0.000 2.483 55 N HA 0.131 4.870 4.740 -0.001 0.000 0.269 55 N C -1.530 173.987 175.510 0.013 0.000 1.209 55 N CA -1.196 51.873 53.050 0.030 0.000 0.969 55 N CB 1.271 39.797 38.487 0.063 0.000 1.173 55 N HN -0.215 nan 8.380 nan 0.000 0.475 56 P HA -0.174 nan 4.420 nan 0.000 0.217 56 P C 1.002 178.298 177.300 -0.005 0.000 1.158 56 P CA 2.179 65.275 63.100 -0.007 0.000 0.887 56 P CB 0.026 31.706 31.700 -0.033 0.000 0.792 57 T N -5.791 108.773 114.554 0.017 0.000 3.163 57 T HA 0.406 4.756 4.350 -0.001 0.000 0.252 57 T C 1.298 176.007 174.700 0.015 0.000 1.056 57 T CA 0.274 62.390 62.100 0.026 0.000 0.947 57 T CB -0.744 68.144 68.868 0.034 0.000 1.016 57 T HN 0.290 nan 8.240 nan 0.000 0.554 58 G N 0.876 109.677 108.800 0.002 0.000 2.143 58 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.249 58 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.249 58 G C 0.131 175.053 174.900 0.036 0.000 0.981 58 G CA 0.364 45.468 45.100 0.006 0.000 0.665 58 G HN 1.619 nan 8.290 nan 0.000 0.528 59 S N -1.292 114.423 115.700 0.025 0.000 2.596 59 S HA 0.684 5.153 4.470 -0.001 0.000 0.270 59 S C 0.748 175.365 174.600 0.029 0.000 1.155 59 S CA 0.008 58.227 58.200 0.031 0.000 0.827 59 S CB 0.715 63.869 63.200 -0.077 0.000 1.130 59 S HN 1.358 nan 8.310 nan 0.000 0.467 60 F N 0.915 120.893 119.950 0.045 0.000 2.546 60 F HA 0.298 4.825 4.527 -0.001 0.000 0.298 60 F C 1.794 177.603 175.800 0.015 0.000 1.120 60 F CA 0.344 58.367 58.000 0.039 0.000 1.456 60 F CB -0.445 38.591 39.000 0.060 0.000 1.088 60 F HN 0.387 nan 8.300 nan 0.000 0.572 61 K N 1.171 121.157 120.400 -0.689 0.000 2.218 61 K HA -0.180 4.140 4.320 -0.001 0.000 0.205 61 K C 1.339 177.805 176.600 -0.224 0.000 1.046 61 K CA 1.448 57.423 56.287 -0.520 0.000 0.933 61 K CB -0.780 31.444 32.500 -0.459 0.000 0.728 61 K HN 0.386 nan 8.250 nan 0.000 0.454 62 D N 0.641 120.977 120.400 -0.107 0.000 2.182 62 D HA -0.143 4.496 4.640 -0.001 0.000 0.201 62 D C 2.000 178.224 176.300 -0.128 0.000 0.986 62 D CA 0.862 54.830 54.000 -0.052 0.000 0.847 62 D CB -0.128 40.773 40.800 0.167 0.000 0.942 62 D HN 0.220 nan 8.370 nan 0.000 0.467 63 R N 0.061 120.541 120.500 -0.034 0.000 2.083 63 R HA -0.083 4.257 4.340 -0.001 0.000 0.237 63 R C 2.376 178.629 176.300 -0.079 0.000 1.137 63 R CA 1.479 57.568 56.100 -0.020 0.000 0.951 63 R CB -0.496 29.828 30.300 0.039 0.000 0.851 63 R HN 0.215 nan 8.270 nan 0.000 0.434 64 G N 0.065 108.813 108.800 -0.086 0.000 2.426 64 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.214 64 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.214 64 G C 1.292 176.088 174.900 -0.173 0.000 1.156 64 G CA 0.157 45.202 45.100 -0.090 0.000 0.802 64 G HN 0.109 nan 8.290 nan 0.000 0.534 65 M N 0.952 120.371 119.600 -0.302 0.000 2.175 65 M HA 0.037 4.516 4.480 -0.001 0.000 0.264 65 M C 2.556 178.471 176.300 -0.641 0.000 1.063 65 M CA 1.746 56.775 55.300 -0.452 0.000 1.119 65 M CB -0.761 31.505 32.600 -0.557 0.000 1.377 65 M HN 0.204 nan 8.290 nan 0.000 0.415 66 T N -0.404 113.682 114.554 -0.779 0.000 2.720 66 T HA -0.150 4.200 4.350 -0.001 0.000 0.268 66 T C 1.658 176.231 174.700 -0.211 0.000 1.037 66 T CA 1.754 63.551 62.100 -0.504 0.000 1.144 66 T CB -0.269 68.493 68.868 -0.177 0.000 0.864 66 T HN 0.351 nan 8.240 nan 0.000 0.444 67 L N 1.073 122.193 121.223 -0.172 0.000 2.044 67 L HA 0.339 4.679 4.340 -0.001 0.000 0.205 67 L C 2.752 179.534 176.870 -0.148 0.000 1.075 67 L CA 2.004 56.766 54.840 -0.130 0.000 0.747 67 L CB -1.309 40.699 42.059 -0.085 0.000 0.903 67 L HN 0.279 nan 8.230 nan 0.000 0.435 68 A N -0.960 121.804 122.820 -0.093 0.000 1.892 68 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 68 A C 2.249 179.808 177.584 -0.041 0.000 1.188 68 A CA 2.345 54.372 52.037 -0.017 0.000 0.631 68 A CB -1.170 17.827 19.000 -0.004 0.000 0.822 68 A HN 0.316 nan 8.150 nan 0.000 0.447 69 V N -0.464 119.403 119.914 -0.077 0.000 2.379 69 V HA -0.173 3.947 4.120 -0.001 0.000 0.245 69 V C 2.760 178.841 176.094 -0.023 0.000 1.044 69 V CA 2.113 64.396 62.300 -0.029 0.000 1.036 69 V CB -0.721 31.102 31.823 0.001 0.000 0.664 69 V HN 0.553 nan 8.190 nan 0.000 0.453 70 S N -0.221 115.451 115.700 -0.048 0.000 2.359 70 S HA -0.194 4.276 4.470 -0.001 0.000 0.224 70 S C 2.069 176.628 174.600 -0.069 0.000 1.035 70 S CA 1.316 59.491 58.200 -0.042 0.000 1.018 70 S CB -0.257 62.912 63.200 -0.052 0.000 0.876 70 S HN 0.457 nan 8.310 nan 0.000 0.448 71 K N 1.593 121.910 120.400 -0.139 0.000 2.097 71 K HA 0.152 4.472 4.320 -0.001 0.000 0.205 71 K C 2.287 178.863 176.600 -0.040 0.000 1.050 71 K CA 1.050 57.237 56.287 -0.166 0.000 0.938 71 K CB -0.776 31.425 32.500 -0.499 0.000 0.718 71 K HN 0.350 nan 8.250 nan 0.000 0.442 72 A N 1.261 124.078 122.820 -0.006 0.000 1.858 72 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 72 A C 2.519 180.115 177.584 0.020 0.000 1.190 72 A CA 1.800 53.855 52.037 0.030 0.000 0.617 72 A CB -0.848 18.172 19.000 0.034 0.000 0.827 72 A HN 0.043 nan 8.150 nan 0.000 0.443 73 V N 0.228 120.148 119.914 0.010 0.000 2.332 73 V HA -0.303 3.817 4.120 -0.001 0.000 0.248 73 V C 2.540 178.639 176.094 0.008 0.000 1.055 73 V CA 2.395 64.702 62.300 0.012 0.000 1.038 73 V CB -0.781 31.049 31.823 0.012 0.000 0.651 73 V HN 0.767 nan 8.190 nan 0.000 0.450 74 E N 0.239 120.438 120.200 -0.001 0.000 2.160 74 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 74 E C 2.105 178.711 176.600 0.011 0.000 0.991 74 E CA 1.311 57.711 56.400 -0.001 0.000 0.810 74 E CB -0.342 29.349 29.700 -0.015 0.000 0.742 74 E HN 0.624 nan 8.360 nan 0.000 0.466 75 G N -0.716 108.095 108.800 0.019 0.000 2.920 75 G HA2 0.092 4.052 3.960 -0.001 0.000 0.208 75 G HA3 0.092 4.052 3.960 -0.001 0.000 0.208 75 G C 0.977 175.892 174.900 0.025 0.000 1.159 75 G CA 0.330 45.447 45.100 0.028 0.000 0.784 75 G HN 0.484 nan 8.290 nan 0.000 0.535 76 G N -1.252 107.561 108.800 0.021 0.000 2.132 76 G HA2 0.136 4.096 3.960 -0.001 0.000 0.234 76 G HA3 0.136 4.096 3.960 -0.001 0.000 0.234 76 G C 0.453 175.368 174.900 0.024 0.000 0.989 76 G CA 0.153 45.265 45.100 0.020 0.000 0.676 76 G HN 1.295 nan 8.290 nan 0.000 0.522 77 A N -0.382 122.454 122.820 0.027 0.000 2.425 77 A HA 0.644 4.964 4.320 -0.001 0.000 0.249 77 A C 1.204 178.803 177.584 0.026 0.000 1.084 77 A CA 0.531 52.586 52.037 0.030 0.000 0.781 77 A CB 0.405 19.426 19.000 0.034 0.000 1.019 77 A HN 0.293 nan 8.150 nan 0.000 0.490 78 Q N -0.215 119.601 119.800 0.027 0.000 2.352 78 Q HA 0.377 4.717 4.340 -0.001 0.000 0.212 78 Q C 0.142 176.154 176.000 0.020 0.000 0.888 78 Q CA 1.017 56.833 55.803 0.022 0.000 0.934 78 Q CB 0.698 29.449 28.738 0.021 0.000 1.093 78 Q HN 0.923 nan 8.270 nan 0.000 0.523 79 A N 0.209 123.044 122.820 0.024 0.000 2.604 79 A HA 0.636 4.955 4.320 -0.001 0.000 0.295 79 A C -0.961 176.640 177.584 0.028 0.000 1.067 79 A CA -0.600 51.449 52.037 0.021 0.000 0.683 79 A CB 1.283 20.290 19.000 0.012 0.000 1.281 79 A HN -0.004 nan 8.150 nan 0.000 0.407 80 V N -1.915 118.014 119.914 0.026 0.000 2.914 80 V HA 1.042 5.162 4.120 -0.001 0.000 0.314 80 V C -0.023 176.087 176.094 0.026 0.000 1.084 80 V CA -0.286 62.031 62.300 0.029 0.000 0.963 80 V CB 1.233 33.073 31.823 0.029 0.000 1.025 80 V HN 2.425 nan 8.190 nan 0.000 0.432 81 A N 1.705 124.543 122.820 0.031 0.000 2.556 81 A HA 1.026 5.346 4.320 -0.001 0.000 0.294 81 A C -0.421 177.185 177.584 0.036 0.000 1.091 81 A CA -0.041 52.014 52.037 0.029 0.000 0.704 81 A CB 1.601 20.618 19.000 0.028 0.000 1.300 81 A HN 2.652 nan 8.150 nan 0.000 0.406 82 C N -0.557 118.767 119.300 0.039 0.000 3.283 82 C HA 0.860 5.319 4.460 -0.001 0.000 0.359 82 C C -0.063 174.968 174.990 0.069 0.000 1.160 82 C CA -0.241 58.810 59.018 0.056 0.000 1.232 82 C CB 0.698 28.473 27.740 0.058 0.000 1.571 82 C HN 2.189 nan 8.230 nan 0.000 0.522 83 A N 1.769 124.643 122.820 0.090 0.000 2.293 83 A HA 0.946 5.266 4.320 -0.001 0.000 0.302 83 A C 0.071 177.839 177.584 0.306 0.000 1.119 83 A CA 0.218 52.317 52.037 0.103 0.000 0.823 83 A CB 1.033 19.984 19.000 -0.082 0.000 1.097 83 A HN 2.315 nan 8.150 nan 0.000 0.491 84 S N -1.045 114.868 115.700 0.356 0.000 2.552 84 S HA 0.477 4.947 4.470 -0.001 0.000 0.272 84 S C 0.386 175.149 174.600 0.271 0.000 1.150 84 S CA 0.238 58.630 58.200 0.321 0.000 0.849 84 S CB 0.999 64.280 63.200 0.136 0.000 1.113 84 S HN 1.419 nan 8.310 nan 0.000 0.458 85 T N 0.279 114.870 114.554 0.063 0.000 3.144 85 T HA 0.532 4.882 4.350 -0.001 0.000 0.249 85 T C 1.302 176.025 174.700 0.037 0.000 1.089 85 T CA 0.925 63.047 62.100 0.037 0.000 0.989 85 T CB 0.112 68.913 68.868 -0.111 0.000 0.992 85 T HN 1.615 nan 8.240 nan 0.000 0.540 86 G N 1.711 110.532 108.800 0.036 0.000 3.753 86 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.196 86 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.196 86 G C 0.981 175.885 174.900 0.005 0.000 1.538 86 G CA 0.084 45.201 45.100 0.029 0.000 1.040 86 G HN 0.314 nan 8.290 nan 0.000 0.427 87 N N 1.062 119.744 118.700 -0.031 0.000 2.135 87 N HA -0.030 4.710 4.740 -0.001 0.000 0.186 87 N C 2.178 177.636 175.510 -0.087 0.000 1.027 87 N CA 1.960 54.971 53.050 -0.065 0.000 0.849 87 N CB -0.623 37.796 38.487 -0.114 0.000 1.002 87 N HN 0.453 nan 8.380 nan 0.000 0.425 88 T N 1.340 115.835 114.554 -0.099 0.000 2.788 88 T HA -0.050 4.299 4.350 -0.001 0.000 0.268 88 T C 1.981 176.667 174.700 -0.023 0.000 1.044 88 T CA 1.291 63.339 62.100 -0.086 0.000 1.139 88 T CB -0.265 68.570 68.868 -0.056 0.000 0.867 88 T HN 0.329 nan 8.240 nan 0.000 0.454 89 A N 1.510 124.337 122.820 0.011 0.000 1.877 89 A HA 0.132 4.451 4.320 -0.001 0.000 0.216 89 A C 2.666 180.271 177.584 0.034 0.000 1.186 89 A CA 1.876 53.934 52.037 0.034 0.000 0.620 89 A CB -1.182 17.849 19.000 0.051 0.000 0.822 89 A HN 0.503 nan 8.150 nan 0.000 0.443 90 A N -0.909 121.931 122.820 0.034 0.000 1.908 90 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 90 A C 2.490 180.091 177.584 0.027 0.000 1.181 90 A CA 2.280 54.352 52.037 0.058 0.000 0.627 90 A CB -0.973 18.062 19.000 0.059 0.000 0.818 90 A HN 0.550 nan 8.150 nan 0.000 0.445 91 S N -0.575 115.136 115.700 0.018 0.000 2.348 91 S HA -0.036 4.434 4.470 -0.001 0.000 0.221 91 S C 2.249 176.921 174.600 0.120 0.000 1.033 91 S CA 1.597 59.839 58.200 0.071 0.000 1.010 91 S CB -0.544 62.657 63.200 0.001 0.000 0.891 91 S HN 0.847 nan 8.310 nan 0.000 0.442 92 A N 1.601 124.449 122.820 0.047 0.000 1.892 92 A HA 0.046 4.365 4.320 -0.001 0.000 0.218 92 A C 2.472 180.082 177.584 0.044 0.000 1.188 92 A CA 2.176 54.242 52.037 0.049 0.000 0.631 92 A CB -1.512 17.503 19.000 0.025 0.000 0.822 92 A HN 0.772 nan 8.150 nan 0.000 0.447 93 A N -0.220 122.608 122.820 0.013 0.000 1.883 93 A HA 0.085 4.405 4.320 -0.001 0.000 0.217 93 A C 2.556 180.048 177.584 -0.154 0.000 1.186 93 A CA 2.530 54.562 52.037 -0.009 0.000 0.624 93 A CB -1.167 17.872 19.000 0.065 0.000 0.822 93 A HN 1.165 nan 8.150 nan 0.000 0.444 94 A N -1.586 120.994 122.820 -0.400 0.000 1.877 94 A HA -0.078 4.241 4.320 -0.001 0.000 0.216 94 A C 2.109 179.449 177.584 -0.406 0.000 1.186 94 A CA 1.632 53.216 52.037 -0.755 0.000 0.620 94 A CB -0.833 17.664 19.000 -0.839 0.000 0.822 94 A HN 0.593 nan 8.150 nan 0.000 0.443 95 Y N -0.128 120.060 120.300 -0.186 0.000 2.293 95 Y HA -0.019 4.531 4.550 -0.000 0.000 0.291 95 Y C 2.880 178.736 175.900 -0.075 0.000 1.137 95 Y CA 0.758 58.794 58.100 -0.106 0.000 1.202 95 Y CB -0.463 37.950 38.460 -0.078 0.000 0.990 95 Y HN 0.334 nan 8.280 nan 0.000 0.537 96 A N 0.196 123.051 122.820 0.059 0.000 1.883 96 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 96 A C 2.462 180.047 177.584 0.001 0.000 1.186 96 A CA 1.945 54.001 52.037 0.032 0.000 0.624 96 A CB -1.267 17.749 19.000 0.026 0.000 0.822 96 A HN 0.402 nan 8.150 nan 0.000 0.444 97 A N -0.368 122.434 122.820 -0.031 0.000 1.902 97 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 97 A C 2.186 179.747 177.584 -0.039 0.000 1.181 97 A CA 2.216 54.239 52.037 -0.024 0.000 0.623 97 A CB -0.462 18.532 19.000 -0.010 0.000 0.818 97 A HN 0.463 nan 8.150 nan 0.000 0.443 98 R N 0.171 120.620 120.500 -0.085 0.000 2.083 98 R HA -0.050 4.289 4.340 -0.001 0.000 0.237 98 R C 2.094 178.376 176.300 -0.030 0.000 1.137 98 R CA 2.097 58.146 56.100 -0.085 0.000 0.951 98 R CB -0.885 29.314 30.300 -0.168 0.000 0.851 98 R HN 0.398 nan 8.270 nan 0.000 0.434 99 A N -1.258 121.561 122.820 -0.002 0.000 2.066 99 A HA 0.228 4.547 4.320 -0.001 0.000 0.218 99 A C 1.374 178.963 177.584 0.009 0.000 1.157 99 A CA 0.991 53.037 52.037 0.016 0.000 0.670 99 A CB -0.544 18.478 19.000 0.037 0.000 0.804 99 A HN 0.638 nan 8.150 nan 0.000 0.453 100 G N -0.507 108.296 108.800 0.005 0.000 2.204 100 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.244 100 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.244 100 G C 0.094 175.000 174.900 0.010 0.000 1.062 100 G CA 0.370 45.474 45.100 0.006 0.000 0.798 100 G HN 1.382 nan 8.290 nan 0.000 0.496 101 I N -3.437 117.141 120.570 0.013 0.000 3.445 101 I HA 0.935 5.104 4.170 -0.001 0.000 0.303 101 I C 0.046 176.171 176.117 0.015 0.000 1.129 101 I CA -1.942 59.367 61.300 0.015 0.000 0.989 101 I CB 1.574 39.586 38.000 0.020 0.000 1.314 101 I HN 0.053 nan 8.210 nan 0.000 0.488 102 L N 2.355 123.586 121.223 0.013 0.000 2.350 102 L HA 0.769 5.108 4.340 -0.001 0.000 0.275 102 L C -0.302 176.576 176.870 0.014 0.000 1.099 102 L CA 0.062 54.908 54.840 0.010 0.000 0.808 102 L CB 1.108 43.168 42.059 0.002 0.000 1.149 102 L HN 0.818 nan 8.230 nan 0.000 0.442 103 A N 6.463 129.292 122.820 0.015 0.000 2.330 103 A HA 0.730 5.049 4.320 -0.001 0.000 0.313 103 A C -0.896 176.696 177.584 0.013 0.000 1.124 103 A CA -0.445 51.603 52.037 0.019 0.000 0.774 103 A CB 0.560 19.575 19.000 0.026 0.000 1.198 103 A HN 0.672 nan 8.150 nan 0.000 0.465 104 I N 3.539 124.115 120.570 0.010 0.000 2.382 104 I HA 0.442 4.612 4.170 -0.001 0.000 0.286 104 I C -0.426 175.700 176.117 0.015 0.000 1.002 104 I CA -0.923 60.379 61.300 0.002 0.000 1.135 104 I CB 1.888 39.878 38.000 -0.016 0.000 1.288 104 I HN 0.511 nan 8.210 nan 0.000 0.448 105 V N 4.802 124.728 119.914 0.021 0.000 2.495 105 V HA 0.623 4.742 4.120 -0.001 0.000 0.298 105 V C -0.477 175.637 176.094 0.033 0.000 1.031 105 V CA -0.630 61.691 62.300 0.034 0.000 0.871 105 V CB 1.765 33.614 31.823 0.043 0.000 0.988 105 V HN 0.363 nan 8.190 nan 0.000 0.432 106 V N 6.422 126.361 119.914 0.041 0.000 2.334 106 V HA 0.537 4.656 4.120 -0.001 0.000 0.281 106 V C -0.078 176.054 176.094 0.064 0.000 1.016 106 V CA -0.258 62.063 62.300 0.036 0.000 0.832 106 V CB 0.983 32.814 31.823 0.013 0.000 0.999 106 V HN 0.828 nan 8.190 nan 0.000 0.439 107 L N 6.874 128.138 121.223 0.068 0.000 2.333 107 L HA 0.634 4.973 4.340 -0.001 0.000 0.269 107 L C -2.458 174.473 176.870 0.103 0.000 1.010 107 L CA -2.099 52.801 54.840 0.100 0.000 0.818 107 L CB 2.782 44.894 42.059 0.088 0.000 1.306 107 L HN 0.355 nan 8.230 nan 0.000 0.430 108 P HA 0.139 nan 4.420 nan 0.000 0.281 108 P C -0.576 176.829 177.300 0.174 0.000 1.286 108 P CA -0.235 62.965 63.100 0.167 0.000 0.772 108 P CB 1.243 33.075 31.700 0.221 0.000 0.862 109 A N 3.651 126.551 122.820 0.133 0.000 2.546 109 A HA 0.386 4.706 4.320 -0.001 0.000 0.243 109 A C 1.621 179.239 177.584 0.056 0.000 1.063 109 A CA 0.842 52.928 52.037 0.082 0.000 0.757 109 A CB -1.277 17.759 19.000 0.059 0.000 0.991 109 A HN 0.855 nan 8.150 nan 0.000 0.503 110 G N 0.882 109.643 108.800 -0.065 0.000 2.184 110 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.264 110 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.264 110 G C 0.198 174.763 174.900 -0.560 0.000 0.975 110 G CA 1.167 46.089 45.100 -0.297 0.000 0.642 110 G HN 0.993 nan 8.290 nan 0.000 0.536 111 Y N -0.392 119.930 120.300 0.036 0.000 2.713 111 Y HA 0.556 5.106 4.550 -0.000 0.000 0.269 111 Y C 0.417 176.339 175.900 0.037 0.000 1.106 111 Y CA -0.510 57.612 58.100 0.037 0.000 1.174 111 Y CB 1.187 39.675 38.460 0.047 0.000 1.186 111 Y HN 0.138 nan 8.280 nan 0.000 0.555 112 V N 0.986 120.953 119.914 0.089 0.000 2.487 112 V HA 0.665 4.785 4.120 -0.001 0.000 0.298 112 V C 0.327 176.443 176.094 0.037 0.000 1.028 112 V CA -1.461 60.883 62.300 0.074 0.000 0.860 112 V CB 1.280 33.144 31.823 0.069 0.000 0.991 112 V HN 0.363 nan 8.190 nan 0.000 0.427 113 A N 4.340 127.183 122.820 0.038 0.000 2.555 113 A HA 0.239 4.558 4.320 -0.001 0.000 0.233 113 A C 1.348 178.947 177.584 0.024 0.000 1.060 113 A CA -0.120 51.934 52.037 0.027 0.000 0.759 113 A CB 0.071 19.088 19.000 0.029 0.000 0.995 113 A HN 0.822 nan 8.150 nan 0.000 0.506 114 L N 2.617 123.853 121.223 0.022 0.000 2.043 114 L HA -0.181 4.158 4.340 -0.001 0.000 0.212 114 L C 2.505 179.388 176.870 0.022 0.000 1.075 114 L CA 2.752 57.604 54.840 0.020 0.000 0.752 114 L CB -1.710 40.364 42.059 0.024 0.000 0.891 114 L HN 0.973 nan 8.230 nan 0.000 0.432 115 G N -0.554 108.264 108.800 0.029 0.000 2.418 115 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.217 115 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.217 115 G C 1.734 176.647 174.900 0.021 0.000 1.158 115 G CA 0.674 45.789 45.100 0.025 0.000 0.771 115 G HN 0.368 nan 8.290 nan 0.000 0.545 116 K N -0.001 120.414 120.400 0.026 0.000 2.057 116 K HA -0.005 4.314 4.320 -0.001 0.000 0.207 116 K C 2.538 179.157 176.600 0.032 0.000 1.049 116 K CA 1.069 57.374 56.287 0.030 0.000 0.931 116 K CB -0.337 32.181 32.500 0.029 0.000 0.714 116 K HN 0.207 nan 8.250 nan 0.000 0.440 117 V N 1.587 121.516 119.914 0.026 0.000 2.343 117 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 117 V C 2.396 178.498 176.094 0.014 0.000 1.051 117 V CA 2.028 64.342 62.300 0.023 0.000 1.036 117 V CB -0.749 31.084 31.823 0.015 0.000 0.654 117 V HN 0.370 nan 8.190 nan 0.000 0.451 118 A N -0.860 121.963 122.820 0.005 0.000 1.940 118 A HA -0.305 4.014 4.320 -0.001 0.000 0.219 118 A C 2.192 179.759 177.584 -0.028 0.000 1.176 118 A CA 2.081 54.109 52.037 -0.014 0.000 0.631 118 A CB -0.459 18.530 19.000 -0.018 0.000 0.814 118 A HN 0.634 nan 8.150 nan 0.000 0.446 119 Q N -0.632 119.168 119.800 -0.000 0.000 2.020 119 Q HA -0.117 4.223 4.340 -0.001 0.000 0.202 119 Q C 2.499 178.559 176.000 0.100 0.000 0.982 119 Q CA 1.775 57.598 55.803 0.034 0.000 0.838 119 Q CB -0.236 28.572 28.738 0.116 0.000 0.899 119 Q HN 0.624 nan 8.270 nan 0.000 0.423 120 S N 0.758 116.513 115.700 0.092 0.000 2.399 120 S HA -0.138 4.332 4.470 -0.001 0.000 0.231 120 S C 1.776 176.413 174.600 0.062 0.000 1.022 120 S CA 0.752 59.008 58.200 0.094 0.000 0.983 120 S CB -0.194 63.044 63.200 0.063 0.000 0.803 120 S HN 0.163 nan 8.310 nan 0.000 0.480 121 L N 1.048 122.285 121.223 0.024 0.000 1.973 121 L HA 0.009 4.349 4.340 -0.001 0.000 0.208 121 L C 2.394 179.253 176.870 -0.019 0.000 1.073 121 L CA 1.559 56.400 54.840 0.002 0.000 0.746 121 L CB -0.989 41.064 42.059 -0.010 0.000 0.891 121 L HN 0.181 nan 8.230 nan 0.000 0.433 122 V N -0.755 119.115 119.914 -0.073 0.000 2.407 122 V HA -0.296 3.823 4.120 -0.001 0.000 0.248 122 V C 2.470 178.479 176.094 -0.141 0.000 1.055 122 V CA 1.689 63.908 62.300 -0.134 0.000 1.049 122 V CB -0.718 30.974 31.823 -0.217 0.000 0.662 122 V HN 0.592 nan 8.190 nan 0.000 0.455 123 H N 0.074 119.136 119.070 -0.014 0.000 2.546 123 H HA 0.144 4.700 4.556 -0.001 0.000 0.277 123 H C 1.854 177.175 175.328 -0.012 0.000 1.004 123 H CA 0.791 56.829 56.048 -0.017 0.000 1.231 123 H CB -0.118 29.634 29.762 -0.017 0.000 1.382 123 H HN 0.604 nan 8.280 nan 0.000 0.580 124 G N 0.171 109.022 108.800 0.084 0.000 2.132 124 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.228 124 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.228 124 G C 0.457 175.385 174.900 0.046 0.000 1.000 124 G CA 0.267 45.397 45.100 0.050 0.000 0.693 124 G HN 0.693 nan 8.290 nan 0.000 0.515 125 A N -0.299 122.555 122.820 0.057 0.000 2.386 125 A HA 0.700 5.020 4.320 -0.001 0.000 0.248 125 A C 0.823 178.421 177.584 0.024 0.000 1.082 125 A CA 0.343 52.404 52.037 0.040 0.000 0.789 125 A CB 0.324 19.353 19.000 0.049 0.000 1.025 125 A HN 0.764 nan 8.150 nan 0.000 0.490 126 R N 1.796 122.303 120.500 0.013 0.000 2.220 126 R HA 0.419 4.759 4.340 -0.001 0.000 0.340 126 R C -0.969 175.334 176.300 0.005 0.000 1.076 126 R CA -0.121 55.980 56.100 0.001 0.000 0.920 126 R CB -0.131 30.161 30.300 -0.012 0.000 1.062 126 R HN 0.665 nan 8.270 nan 0.000 0.469 127 I N 4.647 125.222 120.570 0.008 0.000 2.396 127 I HA 0.245 4.414 4.170 -0.001 0.000 0.292 127 I C -0.404 175.718 176.117 0.008 0.000 0.999 127 I CA -0.891 60.417 61.300 0.013 0.000 1.310 127 I CB 1.866 39.877 38.000 0.018 0.000 1.404 127 I HN 0.271 nan 8.210 nan 0.000 0.496 128 V N 6.023 125.944 119.914 0.012 0.000 2.482 128 V HA 0.269 4.388 4.120 -0.001 0.000 0.295 128 V C -0.451 175.655 176.094 0.020 0.000 1.026 128 V CA -0.688 61.617 62.300 0.009 0.000 0.856 128 V CB 1.594 33.417 31.823 0.001 0.000 1.001 128 V HN 0.687 nan 8.190 nan 0.000 0.424 129 Q N 3.356 123.169 119.800 0.021 0.000 2.290 129 Q HA 0.644 4.984 4.340 -0.001 0.000 0.259 129 Q C -0.501 175.517 176.000 0.030 0.000 0.941 129 Q CA -0.604 55.218 55.803 0.032 0.000 0.912 129 Q CB 2.645 31.400 28.738 0.029 0.000 1.244 129 Q HN 0.743 nan 8.270 nan 0.000 0.441 130 V N -0.232 119.705 119.914 0.038 0.000 2.547 130 V HA 0.369 4.489 4.120 -0.001 0.000 0.299 130 V C -0.084 176.039 176.094 0.048 0.000 1.040 130 V CA -0.920 61.400 62.300 0.033 0.000 0.913 130 V CB 1.652 33.487 31.823 0.021 0.000 0.992 130 V HN 0.745 nan 8.190 nan 0.000 0.449 131 E N 3.080 123.304 120.200 0.041 0.000 2.148 131 E HA 0.550 4.900 4.350 -0.001 0.000 0.308 131 E C 0.401 177.031 176.600 0.051 0.000 1.278 131 E CA 0.354 56.786 56.400 0.052 0.000 1.368 131 E CB 0.193 29.917 29.700 0.040 0.000 1.229 131 E HN 1.086 nan 8.360 nan 0.000 0.494 132 G N 1.388 110.226 108.800 0.063 0.000 2.488 132 G HA2 0.160 4.119 3.960 -0.001 0.000 0.301 132 G HA3 0.160 4.119 3.960 -0.001 0.000 0.301 132 G C -1.102 173.831 174.900 0.055 0.000 1.339 132 G CA -1.020 44.106 45.100 0.043 0.000 0.803 132 G HN 0.337 nan 8.290 nan 0.000 0.482 133 N N -1.382 117.331 118.700 0.021 0.000 2.448 133 N HA 0.461 5.201 4.740 -0.001 0.000 0.274 133 N C 1.093 176.635 175.510 0.054 0.000 1.239 133 N CA -0.609 52.460 53.050 0.031 0.000 0.982 133 N CB 0.606 39.084 38.487 -0.016 0.000 1.199 133 N HN 0.453 nan 8.380 nan 0.000 0.576 134 F N 0.193 120.145 119.950 0.003 0.000 2.091 134 F HA -0.204 4.322 4.527 -0.001 0.000 0.299 134 F C 1.389 177.201 175.800 0.020 0.000 1.103 134 F CA 1.843 59.855 58.000 0.019 0.000 1.228 134 F CB -0.385 38.626 39.000 0.019 0.000 0.984 134 F HN 0.430 nan 8.300 nan 0.000 0.477 135 D N 0.475 120.787 120.400 -0.146 0.000 2.133 135 D HA -0.211 4.429 4.640 -0.001 0.000 0.195 135 D C 1.809 177.966 176.300 -0.239 0.000 0.997 135 D CA 1.749 55.627 54.000 -0.204 0.000 0.840 135 D CB -0.511 40.297 40.800 0.013 0.000 0.947 135 D HN 0.431 nan 8.370 nan 0.000 0.452 136 D N 0.785 121.093 120.400 -0.153 0.000 2.117 136 D HA -0.081 4.559 4.640 -0.001 0.000 0.198 136 D C 2.125 178.333 176.300 -0.153 0.000 0.982 136 D CA 1.038 54.971 54.000 -0.112 0.000 0.828 136 D CB -0.290 40.478 40.800 -0.053 0.000 0.967 136 D HN 0.129 nan 8.370 nan 0.000 0.464 137 A N 1.051 123.747 122.820 -0.207 0.000 1.908 137 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 137 A C 2.184 179.612 177.584 -0.259 0.000 1.181 137 A CA 1.084 53.004 52.037 -0.195 0.000 0.627 137 A CB -0.730 18.174 19.000 -0.160 0.000 0.818 137 A HN 0.225 nan 8.150 nan 0.000 0.445 138 L N -0.121 120.808 121.223 -0.489 0.000 2.056 138 L HA -0.098 4.242 4.340 -0.001 0.000 0.207 138 L C 2.461 179.223 176.870 -0.180 0.000 1.078 138 L CA 2.412 57.025 54.840 -0.379 0.000 0.749 138 L CB -0.652 41.069 42.059 -0.563 0.000 0.901 138 L HN 0.501 nan 8.230 nan 0.000 0.433 139 R N -0.650 119.751 120.500 -0.165 0.000 2.083 139 R HA -0.166 4.174 4.340 -0.001 0.000 0.237 139 R C 2.264 178.530 176.300 -0.056 0.000 1.137 139 R CA 2.080 58.129 56.100 -0.086 0.000 0.951 139 R CB -0.434 29.822 30.300 -0.073 0.000 0.851 139 R HN 0.454 nan 8.270 nan 0.000 0.434 140 L N -0.154 121.034 121.223 -0.059 0.000 2.093 140 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 140 L C 2.407 179.273 176.870 -0.007 0.000 1.085 140 L CA 1.586 56.411 54.840 -0.025 0.000 0.755 140 L CB -0.497 41.548 42.059 -0.023 0.000 0.904 140 L HN 0.309 nan 8.230 nan 0.000 0.435 141 T N -0.946 113.593 114.554 -0.025 0.000 2.821 141 T HA -0.183 4.166 4.350 -0.001 0.000 0.267 141 T C 1.903 176.614 174.700 0.018 0.000 1.046 141 T CA 1.093 63.194 62.100 0.001 0.000 1.139 141 T CB -0.117 68.744 68.868 -0.012 0.000 0.871 141 T HN 0.376 nan 8.240 nan 0.000 0.454 142 Q N 0.516 120.316 119.800 0.000 0.000 2.124 142 Q HA -0.086 4.254 4.340 -0.001 0.000 0.202 142 Q C 2.412 178.423 176.000 0.019 0.000 0.977 142 Q CA 0.858 56.667 55.803 0.010 0.000 0.850 142 Q CB -0.087 28.649 28.738 -0.003 0.000 0.901 142 Q HN 0.302 nan 8.270 nan 0.000 0.429 143 K N 0.720 121.130 120.400 0.017 0.000 2.057 143 K HA -0.123 4.196 4.320 -0.001 0.000 0.207 143 K C 2.085 178.717 176.600 0.054 0.000 1.049 143 K CA 0.621 56.920 56.287 0.020 0.000 0.931 143 K CB -0.441 32.069 32.500 0.016 0.000 0.714 143 K HN 0.122 nan 8.250 nan 0.000 0.440 144 L N 1.458 122.744 121.223 0.104 0.000 1.989 144 L HA -0.192 4.148 4.340 -0.001 0.000 0.211 144 L C 2.337 179.350 176.870 0.237 0.000 1.071 144 L CA 2.314 57.293 54.840 0.232 0.000 0.749 144 L CB -1.153 41.011 42.059 0.175 0.000 0.890 144 L HN 0.376 nan 8.230 nan 0.000 0.431 145 T N -4.630 110.002 114.554 0.130 0.000 3.072 145 T HA -0.095 4.254 4.350 -0.001 0.000 0.266 145 T C 1.545 176.277 174.700 0.054 0.000 1.127 145 T CA 1.017 63.179 62.100 0.103 0.000 1.107 145 T CB -0.362 68.547 68.868 0.069 0.000 0.910 145 T HN 0.427 nan 8.240 nan 0.000 0.513 146 E N 0.449 120.662 120.200 0.022 0.000 2.371 146 E HA 0.294 4.643 4.350 -0.001 0.000 0.194 146 E C 2.138 178.695 176.600 -0.071 0.000 1.012 146 E CA 0.563 56.952 56.400 -0.018 0.000 0.860 146 E CB 0.041 29.728 29.700 -0.023 0.000 0.811 146 E HN 0.705 nan 8.360 nan 0.000 0.502 147 A N 0.270 123.014 122.820 -0.127 0.000 1.970 147 A HA 0.215 4.535 4.320 -0.001 0.000 0.204 147 A C 0.457 177.804 177.584 -0.395 0.000 1.325 147 A CA -0.082 51.753 52.037 -0.336 0.000 0.767 147 A CB 0.123 18.776 19.000 -0.578 0.000 0.949 147 A HN 0.050 nan 8.150 nan 0.000 0.481 148 F N 0.837 120.788 119.950 0.002 0.000 2.375 148 F HA 0.385 4.911 4.527 -0.001 0.000 0.333 148 F C -1.666 174.138 175.800 0.006 0.000 1.104 148 F CA -2.160 55.843 58.000 0.004 0.000 1.149 148 F CB 0.700 39.703 39.000 0.004 0.000 1.190 148 F HN 0.056 nan 8.300 nan 0.000 0.533 149 P HA 0.085 nan 4.420 nan 0.000 0.226 149 P C -0.924 176.441 177.300 0.108 0.000 1.783 149 P CA 0.389 63.559 63.100 0.116 0.000 0.980 149 P CB -0.070 31.686 31.700 0.093 0.000 1.967 150 V N 1.183 121.168 119.914 0.117 0.000 2.531 150 V HA 0.520 4.640 4.120 -0.001 0.000 0.301 150 V C 0.456 176.591 176.094 0.070 0.000 1.034 150 V CA -1.259 61.090 62.300 0.082 0.000 0.865 150 V CB 1.871 33.740 31.823 0.077 0.000 0.995 150 V HN 0.326 nan 8.190 nan 0.000 0.424 151 A N 4.771 127.623 122.820 0.054 0.000 2.454 151 A HA 0.553 4.873 4.320 -0.001 0.000 0.260 151 A C -0.417 177.195 177.584 0.047 0.000 1.106 151 A CA -0.104 51.963 52.037 0.050 0.000 0.780 151 A CB 0.106 19.135 19.000 0.049 0.000 1.044 151 A HN 0.884 nan 8.150 nan 0.000 0.498 152 L N 4.327 125.577 121.223 0.045 0.000 2.360 152 L HA 0.367 4.706 4.340 -0.001 0.000 0.276 152 L C 0.820 177.713 176.870 0.039 0.000 1.121 152 L CA 0.541 55.406 54.840 0.041 0.000 0.845 152 L CB 1.281 43.362 42.059 0.037 0.000 1.143 152 L HN 0.697 nan 8.230 nan 0.000 0.452 153 V N 1.000 120.936 119.914 0.036 0.000 3.121 153 V HA 0.416 4.535 4.120 -0.001 0.000 0.344 153 V C 0.692 176.804 176.094 0.029 0.000 1.390 153 V CA -0.525 61.791 62.300 0.028 0.000 1.177 153 V CB -1.213 30.617 31.823 0.012 0.000 1.163 153 V HN 0.823 nan 8.190 nan 0.000 0.484 154 N N 1.494 120.221 118.700 0.046 0.000 2.424 154 N HA 0.203 4.942 4.740 -0.001 0.000 0.257 154 N C 1.553 177.098 175.510 0.057 0.000 1.250 154 N CA 0.614 53.704 53.050 0.067 0.000 0.946 154 N CB 1.063 39.606 38.487 0.094 0.000 1.175 154 N HN 0.410 nan 8.380 nan 0.000 0.477 155 S N -0.551 115.191 115.700 0.070 0.000 2.462 155 S HA -0.165 4.304 4.470 -0.001 0.000 0.243 155 S C 1.712 176.343 174.600 0.052 0.000 1.003 155 S CA 0.714 58.952 58.200 0.063 0.000 0.970 155 S CB -0.415 62.834 63.200 0.082 0.000 0.762 155 S HN 0.444 nan 8.310 nan 0.000 0.510 156 V N 2.114 122.061 119.914 0.054 0.000 2.759 156 V HA 0.004 4.124 4.120 -0.001 0.000 0.256 156 V C 0.844 176.942 176.094 0.007 0.000 1.080 156 V CA 1.115 63.436 62.300 0.036 0.000 1.101 156 V CB -0.930 30.917 31.823 0.040 0.000 0.698 156 V HN 0.615 nan 8.190 nan 0.000 0.477 157 N N 1.359 120.062 118.700 0.005 0.000 2.416 157 N HA 0.099 4.838 4.740 -0.001 0.000 0.265 157 N C -1.292 174.186 175.510 -0.055 0.000 1.195 157 N CA -1.515 51.517 53.050 -0.029 0.000 0.943 157 N CB 1.511 40.003 38.487 0.008 0.000 1.115 157 N HN 0.251 nan 8.380 nan 0.000 0.481 158 P HA -0.174 nan 4.420 nan 0.000 0.218 158 P C 0.698 177.953 177.300 -0.075 0.000 1.146 158 P CA 1.336 64.365 63.100 -0.119 0.000 0.813 158 P CB 0.114 31.714 31.700 -0.166 0.000 0.778 159 H N -0.440 118.626 119.070 -0.007 0.000 2.456 159 H HA 0.006 4.562 4.556 -0.000 0.000 0.296 159 H C 2.246 177.555 175.328 -0.032 0.000 1.079 159 H CA 0.894 56.931 56.048 -0.019 0.000 1.322 159 H CB -0.304 29.445 29.762 -0.020 0.000 1.388 159 H HN 0.090 nan 8.280 nan 0.000 0.538 160 R N 0.612 121.161 120.500 0.082 0.000 2.081 160 R HA -0.051 4.289 4.340 -0.001 0.000 0.235 160 R C 2.570 178.883 176.300 0.023 0.000 1.131 160 R CA 0.545 56.664 56.100 0.031 0.000 0.960 160 R CB -0.624 29.692 30.300 0.026 0.000 0.856 160 R HN 0.341 nan 8.270 nan 0.000 0.436 161 L N 0.707 121.943 121.223 0.021 0.000 2.093 161 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 161 L C 2.302 179.145 176.870 -0.044 0.000 1.085 161 L CA 1.014 55.854 54.840 0.001 0.000 0.755 161 L CB -0.451 41.612 42.059 0.006 0.000 0.904 161 L HN 0.101 nan 8.230 nan 0.000 0.435 162 E N 0.531 120.720 120.200 -0.018 0.000 2.110 162 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 162 E C 2.176 178.723 176.600 -0.088 0.000 0.988 162 E CA 1.363 57.741 56.400 -0.037 0.000 0.804 162 E CB -0.227 29.503 29.700 0.051 0.000 0.745 162 E HN 0.515 nan 8.360 nan 0.000 0.458 163 G N 1.082 109.851 108.800 -0.053 0.000 2.394 163 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.215 163 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.215 163 G C 1.492 176.320 174.900 -0.121 0.000 1.165 163 G CA 0.322 45.379 45.100 -0.072 0.000 0.784 163 G HN 0.244 nan 8.290 nan 0.000 0.535 164 Q N 0.423 120.169 119.800 -0.090 0.000 2.291 164 Q HA -0.051 4.288 4.340 -0.001 0.000 0.205 164 Q C 2.398 178.221 176.000 -0.295 0.000 0.970 164 Q CA 1.212 56.962 55.803 -0.089 0.000 0.876 164 Q CB -0.104 28.673 28.738 0.065 0.000 0.935 164 Q HN 0.708 nan 8.270 nan 0.000 0.455 165 K N 0.608 120.770 120.400 -0.396 0.000 2.283 165 K HA -0.099 4.220 4.320 -0.001 0.000 0.202 165 K C 1.834 177.759 176.600 -1.125 0.000 1.048 165 K CA 1.663 57.548 56.287 -0.670 0.000 0.948 165 K CB -0.406 31.720 32.500 -0.625 0.000 0.742 165 K HN 0.115 nan 8.250 nan 0.000 0.458 166 T N -0.020 113.951 114.554 -0.972 0.000 2.897 166 T HA -0.141 4.209 4.350 -0.001 0.000 0.271 166 T C 1.818 176.106 174.700 -0.687 0.000 1.084 166 T CA 0.947 62.417 62.100 -1.050 0.000 1.123 166 T CB -0.335 68.248 68.868 -0.475 0.000 0.865 166 T HN 0.337 nan 8.240 nan 0.000 0.496 167 L N 0.553 121.434 121.223 -0.570 0.000 2.083 167 L HA 0.074 4.413 4.340 -0.001 0.000 0.209 167 L C 2.919 179.501 176.870 -0.480 0.000 1.083 167 L CA 1.440 56.032 54.840 -0.413 0.000 0.752 167 L CB -0.715 41.075 42.059 -0.447 0.000 0.899 167 L HN 0.377 nan 8.230 nan 0.000 0.433 168 A N -0.178 122.157 122.820 -0.808 0.000 1.898 168 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 168 A C 2.108 179.333 177.584 -0.599 0.000 1.181 168 A CA 1.580 53.032 52.037 -0.975 0.000 0.620 168 A CB -1.064 17.015 19.000 -1.536 0.000 0.819 168 A HN 0.520 nan 8.150 nan 0.000 0.442 169 F N 0.052 119.472 119.950 -0.883 0.000 2.065 169 F HA -0.265 4.262 4.527 -0.001 0.000 0.298 169 F C 2.634 178.209 175.800 -0.375 0.000 1.112 169 F CA 1.438 58.782 58.000 -1.092 0.000 1.212 169 F CB -0.345 37.859 39.000 -1.327 0.000 0.975 169 F HN 0.334 nan 8.300 nan 0.000 0.476 170 E N 0.173 120.391 120.200 0.030 0.000 2.077 170 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 170 E C 2.193 178.856 176.600 0.105 0.000 0.989 170 E CA 1.334 57.826 56.400 0.154 0.000 0.800 170 E CB -0.257 29.526 29.700 0.138 0.000 0.746 170 E HN 0.190 nan 8.360 nan 0.000 0.452 171 V N 0.848 120.798 119.914 0.059 0.000 2.295 171 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 171 V C 2.324 178.495 176.094 0.127 0.000 1.049 171 V CA 1.380 63.740 62.300 0.100 0.000 1.024 171 V CB -0.339 31.595 31.823 0.185 0.000 0.648 171 V HN 0.139 nan 8.190 nan 0.000 0.447 172 V N 0.073 120.096 119.914 0.182 0.000 2.358 172 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 172 V C 2.276 178.507 176.094 0.229 0.000 1.047 172 V CA 2.056 64.508 62.300 0.254 0.000 1.035 172 V CB -0.720 31.364 31.823 0.435 0.000 0.658 172 V HN 0.541 nan 8.190 nan 0.000 0.452 173 D N -0.265 120.292 120.400 0.261 0.000 2.123 173 D HA -0.197 4.443 4.640 -0.001 0.000 0.196 173 D C 2.173 178.545 176.300 0.120 0.000 0.992 173 D CA 1.612 55.741 54.000 0.215 0.000 0.833 173 D CB -0.022 40.923 40.800 0.242 0.000 0.954 173 D HN 0.597 nan 8.370 nan 0.000 0.455 174 E N -0.168 120.089 120.200 0.095 0.000 2.051 174 E HA -0.011 4.339 4.350 -0.001 0.000 0.189 174 E C 2.221 178.826 176.600 0.008 0.000 0.979 174 E CA 0.223 56.651 56.400 0.047 0.000 0.803 174 E CB 0.080 29.802 29.700 0.037 0.000 0.761 174 E HN 0.164 nan 8.360 nan 0.000 0.451 175 L N -0.975 120.238 121.223 -0.016 0.000 2.240 175 L HA 0.107 4.447 4.340 -0.001 0.000 0.211 175 L C 1.814 178.677 176.870 -0.011 0.000 1.106 175 L CA 0.828 55.630 54.840 -0.064 0.000 0.793 175 L CB 0.049 42.033 42.059 -0.125 0.000 0.927 175 L HN 0.534 nan 8.230 nan 0.000 0.446 176 G N -0.682 108.136 108.800 0.030 0.000 2.254 176 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.225 176 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.225 176 G C -0.081 174.843 174.900 0.039 0.000 1.003 176 G CA 0.211 45.330 45.100 0.031 0.000 0.622 176 G HN 0.375 nan 8.290 nan 0.000 0.507 177 D N -0.700 119.728 120.400 0.046 0.000 2.692 177 D HA 0.678 5.318 4.640 -0.001 0.000 0.290 177 D C 0.085 176.427 176.300 0.070 0.000 1.281 177 D CA 0.559 54.590 54.000 0.052 0.000 0.804 177 D CB 0.877 41.676 40.800 -0.002 0.000 1.331 177 D HN 0.916 nan 8.370 nan 0.000 0.432 178 A N 1.230 124.093 122.820 0.072 0.000 2.351 178 A HA 0.616 4.936 4.320 -0.001 0.000 0.257 178 A C -2.219 175.292 177.584 -0.122 0.000 1.087 178 A CA -0.743 51.314 52.037 0.032 0.000 0.798 178 A CB 0.040 18.992 19.000 -0.079 0.000 1.033 178 A HN 0.422 nan 8.150 nan 0.000 0.488 179 P HA 0.162 nan 4.420 nan 0.000 0.274 179 P C -0.224 176.942 177.300 -0.224 0.000 1.256 179 P CA 0.018 63.046 63.100 -0.119 0.000 0.795 179 P CB 0.472 32.176 31.700 0.007 0.000 1.038 180 H N -0.834 118.179 119.070 -0.094 0.000 2.389 180 H HA 0.019 4.574 4.556 -0.001 0.000 0.299 180 H C 0.039 175.059 175.328 -0.513 0.000 1.081 180 H CA 1.810 57.667 56.048 -0.318 0.000 1.345 180 H CB -0.423 29.132 29.762 -0.345 0.000 1.393 180 H HN 0.413 nan 8.280 nan 0.000 0.520 181 Y N -1.646 118.729 120.300 0.125 0.000 2.524 181 Y HA 0.359 4.909 4.550 -0.001 0.000 0.347 181 Y C -0.750 175.217 175.900 0.113 0.000 1.005 181 Y CA -1.167 56.989 58.100 0.093 0.000 1.025 181 Y CB 1.724 40.239 38.460 0.092 0.000 1.275 181 Y HN 0.039 nan 8.280 nan 0.000 0.460 182 H N 1.097 120.294 119.070 0.211 0.000 3.013 182 H HA 0.781 5.337 4.556 -0.001 0.000 0.326 182 H C -1.315 174.110 175.328 0.162 0.000 0.973 182 H CA -0.672 55.496 56.048 0.199 0.000 1.369 182 H CB 0.796 30.709 29.762 0.252 0.000 1.598 182 H HN 0.903 nan 8.280 nan 0.000 0.518 183 A N 5.438 128.486 122.820 0.381 0.000 2.312 183 A HA 0.719 5.039 4.320 -0.001 0.000 0.326 183 A C -0.925 176.825 177.584 0.276 0.000 1.172 183 A CA -0.565 51.667 52.037 0.324 0.000 0.821 183 A CB 0.436 19.622 19.000 0.309 0.000 1.166 183 A HN 0.711 nan 8.150 nan 0.000 0.493 184 L N -0.892 120.431 121.223 0.167 0.000 2.671 184 L HA 0.787 5.126 4.340 -0.001 0.000 0.259 184 L C -3.243 173.651 176.870 0.040 0.000 1.021 184 L CA -2.333 52.523 54.840 0.027 0.000 0.871 184 L CB 1.906 43.818 42.059 -0.246 0.000 1.472 184 L HN 0.320 nan 8.230 nan 0.000 0.410 185 P HA 0.411 nan 4.420 nan 0.000 0.277 185 P C -1.220 176.044 177.300 -0.060 0.000 1.240 185 P CA -0.426 62.689 63.100 0.025 0.000 0.798 185 P CB 1.562 33.283 31.700 0.034 0.000 0.979 186 V N 1.790 121.669 119.914 -0.058 0.000 2.409 186 V HA 0.523 4.642 4.120 -0.001 0.000 0.290 186 V C 0.812 176.853 176.094 -0.088 0.000 1.017 186 V CA 0.077 62.315 62.300 -0.104 0.000 0.841 186 V CB 1.014 32.740 31.823 -0.161 0.000 1.003 186 V HN 0.823 nan 8.190 nan 0.000 0.426 187 G N 2.959 111.714 108.800 -0.075 0.000 2.613 187 G HA2 0.004 3.963 3.960 -0.001 0.000 0.218 187 G HA3 0.004 3.963 3.960 -0.001 0.000 0.218 187 G C 0.835 175.685 174.900 -0.084 0.000 1.508 187 G CA 0.350 45.398 45.100 -0.087 0.000 0.788 187 G HN 0.561 nan 8.290 nan 0.000 0.603 188 N N 0.229 118.886 118.700 -0.071 0.000 2.336 188 N HA 0.289 5.029 4.740 -0.001 0.000 0.189 188 N C 1.270 176.793 175.510 0.021 0.000 1.113 188 N CA 1.132 54.181 53.050 -0.001 0.000 0.858 188 N CB 0.369 38.862 38.487 0.009 0.000 0.970 188 N HN 0.623 nan 8.380 nan 0.000 0.471 189 A N -1.878 120.929 122.820 -0.023 0.000 3.383 189 A HA -0.174 4.146 4.320 -0.001 0.000 0.264 189 A C 1.772 179.357 177.584 0.001 0.000 1.154 189 A CA 1.464 53.479 52.037 -0.037 0.000 1.179 189 A CB -2.418 16.554 19.000 -0.047 0.000 1.133 189 A HN 0.425 nan 8.150 nan 0.000 0.933 190 G N -0.267 108.559 108.800 0.044 0.000 2.402 190 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.216 190 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.216 190 G C 1.195 176.133 174.900 0.063 0.000 1.162 190 G CA 1.558 46.700 45.100 0.070 0.000 0.777 190 G HN 0.656 nan 8.290 nan 0.000 0.539 191 N N 0.482 119.208 118.700 0.043 0.000 2.084 191 N HA -0.039 4.700 4.740 -0.001 0.000 0.190 191 N C 2.127 177.581 175.510 -0.094 0.000 1.030 191 N CA 0.940 53.963 53.050 -0.045 0.000 0.849 191 N CB -0.293 37.984 38.487 -0.350 0.000 1.012 191 N HN 0.366 nan 8.380 nan 0.000 0.423 192 I N 0.083 120.542 120.570 -0.185 0.000 2.361 192 I HA -0.254 3.916 4.170 -0.001 0.000 0.251 192 I C 1.354 177.468 176.117 -0.004 0.000 1.133 192 I CA 1.184 62.371 61.300 -0.189 0.000 1.413 192 I CB -0.275 37.604 38.000 -0.201 0.000 1.073 192 I HN 0.119 nan 8.210 nan 0.000 0.424 193 T N 1.124 115.691 114.554 0.022 0.000 2.708 193 T HA -0.108 4.242 4.350 -0.001 0.000 0.266 193 T C 1.970 176.736 174.700 0.110 0.000 1.037 193 T CA 1.424 63.577 62.100 0.089 0.000 1.146 193 T CB -0.410 68.497 68.868 0.065 0.000 0.865 193 T HN 0.559 nan 8.240 nan 0.000 0.435 194 A N 1.132 123.992 122.820 0.066 0.000 1.902 194 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 194 A C 1.996 179.552 177.584 -0.047 0.000 1.181 194 A CA 1.853 53.889 52.037 -0.000 0.000 0.623 194 A CB -0.910 18.085 19.000 -0.009 0.000 0.818 194 A HN 0.527 nan 8.150 nan 0.000 0.443 195 H N -2.023 116.959 119.070 -0.146 0.000 2.319 195 H HA -0.176 4.380 4.556 -0.001 0.000 0.299 195 H C 1.821 177.147 175.328 -0.004 0.000 1.092 195 H CA 1.868 57.796 56.048 -0.199 0.000 1.302 195 H CB -0.330 29.312 29.762 -0.199 0.000 1.373 195 H HN 0.744 nan 8.280 nan 0.000 0.497 196 W N 0.684 122.023 121.300 0.065 0.000 2.358 196 W HA -0.224 4.436 4.660 -0.000 0.000 0.303 196 W C 1.815 178.360 176.519 0.043 0.000 1.208 196 W CA 1.038 58.440 57.345 0.096 0.000 1.274 196 W CB -0.133 29.355 29.460 0.047 0.000 1.138 196 W HN 0.234 nan 8.180 nan 0.000 0.515 197 M N 0.515 120.109 119.600 -0.012 0.000 2.082 197 M HA -0.187 4.293 4.480 -0.001 0.000 0.258 197 M C 2.407 178.592 176.300 -0.191 0.000 1.069 197 M CA 2.299 57.518 55.300 -0.134 0.000 1.102 197 M CB -1.273 31.275 32.600 -0.087 0.000 1.336 197 M HN 0.040 nan 8.290 nan 0.000 0.404 198 G N -0.999 107.624 108.800 -0.295 0.000 2.421 198 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.216 198 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.216 198 G C 1.252 176.057 174.900 -0.159 0.000 1.171 198 G CA 0.808 45.649 45.100 -0.432 0.000 0.775 198 G HN 0.441 nan 8.290 nan 0.000 0.543 199 Y N 0.835 121.061 120.300 -0.124 0.000 2.242 199 Y HA -0.040 4.510 4.550 -0.001 0.000 0.291 199 Y C 3.011 178.816 175.900 -0.158 0.000 1.137 199 Y CA 1.317 59.373 58.100 -0.073 0.000 1.181 199 Y CB 0.077 38.516 38.460 -0.034 0.000 0.989 199 Y HN 0.100 nan 8.280 nan 0.000 0.527 200 K N -0.073 120.160 120.400 -0.279 0.000 2.057 200 K HA -0.156 4.164 4.320 -0.001 0.000 0.206 200 K C 2.394 178.976 176.600 -0.030 0.000 1.050 200 K CA 0.966 57.057 56.287 -0.325 0.000 0.935 200 K CB -0.338 31.821 32.500 -0.567 0.000 0.715 200 K HN 0.257 nan 8.250 nan 0.000 0.439 201 A N 0.950 123.790 122.820 0.034 0.000 1.865 201 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 201 A C 2.001 179.707 177.584 0.202 0.000 1.191 201 A CA 1.445 53.563 52.037 0.134 0.000 0.623 201 A CB -0.921 18.220 19.000 0.235 0.000 0.826 201 A HN 0.264 nan 8.150 nan 0.000 0.444 202 Y N -0.277 120.060 120.300 0.061 0.000 2.256 202 Y HA -0.211 4.339 4.550 -0.001 0.000 0.288 202 Y C 2.496 178.406 175.900 0.017 0.000 1.155 202 Y CA 1.480 59.573 58.100 -0.012 0.000 1.203 202 Y CB -0.582 37.907 38.460 0.048 0.000 0.980 202 Y HN 0.625 nan 8.280 nan 0.000 0.530 203 H N -0.728 118.412 119.070 0.116 0.000 2.395 203 H HA -0.043 4.513 4.556 -0.000 0.000 0.299 203 H C 2.055 177.372 175.328 -0.019 0.000 1.070 203 H CA 1.240 57.305 56.048 0.029 0.000 1.356 203 H CB 0.055 29.819 29.762 0.002 0.000 1.401 203 H HN 0.297 nan 8.280 nan 0.000 0.524 204 A N 0.941 123.802 122.820 0.069 0.000 2.014 204 A HA 0.004 4.323 4.320 -0.001 0.000 0.218 204 A C 2.452 179.991 177.584 -0.074 0.000 1.163 204 A CA 0.620 52.660 52.037 0.006 0.000 0.652 204 A CB -0.489 18.532 19.000 0.034 0.000 0.808 204 A HN 0.417 nan 8.150 nan 0.000 0.449 205 L N -1.208 119.956 121.223 -0.098 0.000 2.591 205 L HA 0.207 4.547 4.340 -0.001 0.000 0.228 205 L C 1.640 178.391 176.870 -0.199 0.000 1.133 205 L CA 0.482 55.232 54.840 -0.150 0.000 0.880 205 L CB -0.151 41.794 42.059 -0.191 0.000 1.033 205 L HN 0.552 nan 8.230 nan 0.000 0.450 206 G N 0.455 109.125 108.800 -0.216 0.000 2.162 206 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.260 206 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.260 206 G C 1.006 175.774 174.900 -0.220 0.000 0.976 206 G CA 0.579 45.547 45.100 -0.221 0.000 0.655 206 G HN 0.410 nan 8.290 nan 0.000 0.533 207 K N -0.042 120.186 120.400 -0.286 0.000 2.305 207 K HA 0.469 4.789 4.320 -0.001 0.000 0.199 207 K C 1.155 177.682 176.600 -0.122 0.000 1.047 207 K CA 1.002 57.089 56.287 -0.333 0.000 0.976 207 K CB 0.344 32.322 32.500 -0.870 0.000 0.765 207 K HN 0.696 nan 8.250 nan 0.000 0.474 208 A N 0.667 123.461 122.820 -0.043 0.000 2.393 208 A HA 0.355 4.675 4.320 -0.001 0.000 0.306 208 A C 0.148 177.736 177.584 0.006 0.000 1.050 208 A CA -0.721 51.362 52.037 0.077 0.000 0.724 208 A CB 1.292 20.445 19.000 0.256 0.000 1.248 208 A HN -0.159 nan 8.150 nan 0.000 0.424 209 K N 0.698 121.114 120.400 0.027 0.000 2.211 209 K HA 0.025 4.344 4.320 -0.001 0.000 0.201 209 K C 0.925 177.623 176.600 0.162 0.000 1.052 209 K CA 1.032 57.329 56.287 0.016 0.000 0.973 209 K CB 0.070 32.569 32.500 -0.003 0.000 0.766 209 K HN 0.868 nan 8.250 nan 0.000 0.466 210 R N -0.304 120.279 120.500 0.139 0.000 2.856 210 R HA 0.577 4.916 4.340 -0.001 0.000 0.258 210 R C -0.676 175.658 176.300 0.056 0.000 1.066 210 R CA -0.719 55.432 56.100 0.085 0.000 1.045 210 R CB 0.814 31.076 30.300 -0.063 0.000 1.178 210 R HN -0.193 nan 8.270 nan 0.000 0.499 211 L N 1.891 123.078 121.223 -0.060 0.000 2.333 211 L HA 0.537 4.876 4.340 -0.001 0.000 0.280 211 L C -2.090 174.750 176.870 -0.050 0.000 1.004 211 L CA -2.336 52.466 54.840 -0.063 0.000 0.820 211 L CB 2.229 44.251 42.059 -0.062 0.000 1.247 211 L HN 0.637 nan 8.230 nan 0.000 0.416 212 P HA 0.203 nan 4.420 nan 0.000 0.276 212 P C -1.064 176.199 177.300 -0.062 0.000 1.244 212 P CA -0.616 62.380 63.100 -0.172 0.000 0.801 212 P CB 0.865 32.352 31.700 -0.354 0.000 1.006 213 R N 1.659 122.091 120.500 -0.113 0.000 2.202 213 R HA 0.355 4.694 4.340 -0.001 0.000 0.334 213 R C 0.256 176.552 176.300 -0.008 0.000 1.036 213 R CA -0.644 55.402 56.100 -0.090 0.000 0.878 213 R CB 0.391 30.669 30.300 -0.037 0.000 1.067 213 R HN 0.437 nan 8.270 nan 0.000 0.457 214 M N 4.622 124.143 119.600 -0.132 0.000 2.219 214 M HA 0.164 4.644 4.480 -0.001 0.000 0.353 214 M C -0.286 175.948 176.300 -0.109 0.000 1.304 214 M CA 0.144 55.389 55.300 -0.092 0.000 1.115 214 M CB 0.262 32.732 32.600 -0.217 0.000 1.664 214 M HN 0.450 nan 8.290 nan 0.000 0.459 215 L N 3.228 124.421 121.223 -0.049 0.000 2.324 215 L HA 0.578 4.917 4.340 -0.001 0.000 0.274 215 L C 0.614 177.257 176.870 -0.378 0.000 1.012 215 L CA -0.668 54.060 54.840 -0.186 0.000 0.859 215 L CB 1.275 43.403 42.059 0.115 0.000 1.224 215 L HN 0.792 nan 8.230 nan 0.000 0.429 216 G N 2.057 110.483 108.800 -0.624 0.000 2.389 216 G HA2 0.738 4.698 3.960 -0.001 0.000 0.328 216 G HA3 0.738 4.698 3.960 -0.001 0.000 0.328 216 G C -1.217 173.155 174.900 -0.880 0.000 1.133 216 G CA -0.233 44.552 45.100 -0.525 0.000 0.891 216 G HN 0.272 nan 8.290 nan 0.000 0.485 217 F N -0.403 119.496 119.950 -0.085 0.000 2.578 217 F HA 0.466 4.992 4.527 -0.001 0.000 0.311 217 F C 0.270 176.028 175.800 -0.071 0.000 1.094 217 F CA -0.773 57.187 58.000 -0.068 0.000 0.923 217 F CB 2.496 41.471 39.000 -0.041 0.000 1.230 217 F HN 0.270 nan 8.300 nan 0.000 0.450 218 Q N 1.350 121.204 119.800 0.090 0.000 2.387 218 Q HA 0.766 5.106 4.340 -0.001 0.000 0.273 218 Q C -0.755 175.271 176.000 0.043 0.000 1.089 218 Q CA -1.428 54.389 55.803 0.023 0.000 0.824 218 Q CB 2.715 31.423 28.738 -0.050 0.000 1.367 218 Q HN 0.782 nan 8.270 nan 0.000 0.443 219 A N 0.837 123.668 122.820 0.020 0.000 2.477 219 A HA 0.376 4.695 4.320 -0.001 0.000 0.246 219 A C 1.105 178.695 177.584 0.010 0.000 1.078 219 A CA 0.569 52.617 52.037 0.018 0.000 0.770 219 A CB 0.262 19.266 19.000 0.007 0.000 1.011 219 A HN 0.932 nan 8.150 nan 0.000 0.494 220 A N 2.789 125.618 122.820 0.014 0.000 1.997 220 A HA -0.046 4.274 4.320 -0.001 0.000 0.221 220 A C 2.040 179.626 177.584 0.003 0.000 1.172 220 A CA 2.299 54.342 52.037 0.009 0.000 0.645 220 A CB -0.884 18.122 19.000 0.010 0.000 0.813 220 A HN 1.469 nan 8.150 nan 0.000 0.454 221 G N -2.079 106.722 108.800 0.002 0.000 2.920 221 G HA2 0.367 4.327 3.960 -0.001 0.000 0.208 221 G HA3 0.367 4.327 3.960 -0.001 0.000 0.208 221 G C 0.493 175.388 174.900 -0.007 0.000 1.159 221 G CA 0.854 45.953 45.100 -0.001 0.000 0.784 221 G HN 1.187 nan 8.290 nan 0.000 0.535 222 A N -0.120 122.694 122.820 -0.010 0.000 3.410 222 A HA 0.716 5.036 4.320 -0.001 0.000 0.276 222 A C 0.222 177.787 177.584 -0.031 0.000 0.995 222 A CA 0.274 52.302 52.037 -0.016 0.000 0.934 222 A CB 0.305 19.294 19.000 -0.019 0.000 1.191 222 A HN 0.736 nan 8.150 nan 0.000 0.511 223 A N 1.886 124.687 122.820 -0.032 0.000 3.218 223 A HA 0.645 4.964 4.320 -0.001 0.000 0.321 223 A C -1.363 176.174 177.584 -0.079 0.000 1.012 223 A CA -1.064 50.936 52.037 -0.061 0.000 0.948 223 A CB 0.238 19.214 19.000 -0.040 0.000 1.050 223 A HN 0.330 nan 8.150 nan 0.000 0.492 224 P HA -0.168 nan 4.420 nan 0.000 0.218 224 P C 1.391 178.542 177.300 -0.248 0.000 1.149 224 P CA 0.873 63.923 63.100 -0.083 0.000 0.817 224 P CB 0.183 31.863 31.700 -0.033 0.000 0.785 225 L N -1.016 119.924 121.223 -0.471 0.000 2.291 225 L HA -0.072 4.267 4.340 -0.001 0.000 0.214 225 L C 2.572 179.310 176.870 -0.221 0.000 1.120 225 L CA 0.816 55.343 54.840 -0.521 0.000 0.799 225 L CB -0.507 41.212 42.059 -0.567 0.000 0.925 225 L HN -0.145 nan 8.230 nan 0.000 0.446 226 V N -0.577 119.248 119.914 -0.149 0.000 2.500 226 V HA -0.154 3.966 4.120 -0.001 0.000 0.243 226 V C 2.172 178.251 176.094 -0.026 0.000 1.039 226 V CA 1.022 63.275 62.300 -0.079 0.000 1.053 226 V CB -0.058 31.729 31.823 -0.061 0.000 0.695 226 V HN 0.301 nan 8.190 nan 0.000 0.463 227 L N 0.352 121.571 121.223 -0.007 0.000 2.217 227 L HA 0.135 4.475 4.340 -0.001 0.000 0.211 227 L C 1.890 178.805 176.870 0.074 0.000 1.107 227 L CA 1.296 56.156 54.840 0.032 0.000 0.783 227 L CB -0.459 41.626 42.059 0.042 0.000 0.919 227 L HN 0.613 nan 8.230 nan 0.000 0.442 228 G N 0.601 109.476 108.800 0.124 0.000 2.176 228 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.232 228 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.232 228 G C 0.298 175.400 174.900 0.337 0.000 0.986 228 G CA 0.254 45.491 45.100 0.228 0.000 0.643 228 G HN 0.490 nan 8.290 nan 0.000 0.522 229 R N -1.094 119.616 120.500 0.350 0.000 2.734 229 R HA 0.652 4.992 4.340 -0.001 0.000 0.271 229 R C -3.405 173.132 176.300 0.397 0.000 1.021 229 R CA -1.933 54.348 56.100 0.301 0.000 0.893 229 R CB 0.943 31.316 30.300 0.120 0.000 1.244 229 R HN 0.005 nan 8.270 nan 0.000 0.464 230 P HA 0.006 nan 4.420 nan 0.000 0.266 230 P C -0.719 176.678 177.300 0.162 0.000 1.195 230 P CA -0.294 62.976 63.100 0.282 0.000 0.768 230 P CB 0.662 32.452 31.700 0.150 0.000 0.838 231 V N 3.930 123.926 119.914 0.136 0.000 2.348 231 V HA 0.056 4.176 4.120 -0.001 0.000 0.270 231 V C 1.644 177.773 176.094 0.059 0.000 1.037 231 V CA 0.151 62.497 62.300 0.076 0.000 0.872 231 V CB 0.584 32.438 31.823 0.051 0.000 1.002 231 V HN 0.677 nan 8.190 nan 0.000 0.464 232 E N 4.748 124.974 120.200 0.043 0.000 2.110 232 E HA -0.105 4.244 4.350 -0.001 0.000 0.193 232 E C 0.631 177.239 176.600 0.013 0.000 0.988 232 E CA 0.899 57.316 56.400 0.028 0.000 0.804 232 E CB 0.294 30.006 29.700 0.020 0.000 0.745 232 E HN 0.550 nan 8.360 nan 0.000 0.458 233 R N 1.592 122.095 120.500 0.006 0.000 2.868 233 R HA 0.291 4.630 4.340 -0.001 0.000 0.289 233 R C -2.459 173.826 176.300 -0.026 0.000 1.443 233 R CA -1.588 54.504 56.100 -0.015 0.000 1.651 233 R CB 0.888 31.181 30.300 -0.012 0.000 1.242 233 R HN 0.195 nan 8.270 nan 0.000 0.621 234 P HA 0.072 nan 4.420 nan 0.000 0.268 234 P C -0.318 176.938 177.300 -0.073 0.000 1.205 234 P CA 0.365 63.446 63.100 -0.032 0.000 0.771 234 P CB 1.182 32.874 31.700 -0.012 0.000 0.858 235 E N 0.598 120.767 120.200 -0.051 0.000 2.304 235 E HA 0.535 4.885 4.350 -0.001 0.000 0.277 235 E C -0.962 175.627 176.600 -0.018 0.000 0.898 235 E CA -0.346 56.022 56.400 -0.054 0.000 0.764 235 E CB 2.593 32.272 29.700 -0.035 0.000 1.216 235 E HN 0.519 nan 8.360 nan 0.000 0.419 236 T N 0.663 115.215 114.554 -0.002 0.000 3.003 236 T HA 0.160 4.510 4.350 -0.001 0.000 0.354 236 T C 0.200 174.922 174.700 0.037 0.000 1.651 236 T CA -0.529 61.579 62.100 0.014 0.000 1.103 236 T CB 0.372 69.242 68.868 0.002 0.000 1.450 236 T HN 0.353 nan 8.240 nan 0.000 0.484 237 L N 2.177 123.416 121.223 0.027 0.000 2.465 237 L HA 0.615 4.955 4.340 -0.001 0.000 0.224 237 L C 1.508 178.379 176.870 0.002 0.000 1.145 237 L CA 1.464 56.319 54.840 0.025 0.000 0.834 237 L CB -0.678 41.380 42.059 -0.001 0.000 0.944 237 L HN 0.629 nan 8.230 nan 0.000 0.451 238 A N 0.468 123.284 122.820 -0.006 0.000 3.126 238 A HA 0.369 4.689 4.320 -0.001 0.000 0.268 238 A C 1.636 179.224 177.584 0.007 0.000 1.605 238 A CA 0.245 52.273 52.037 -0.016 0.000 1.305 238 A CB -1.191 17.798 19.000 -0.018 0.000 1.160 238 A HN 0.527 nan 8.150 nan 0.000 0.609 239 T N -1.668 112.907 114.554 0.034 0.000 2.869 239 T HA -0.215 4.134 4.350 -0.001 0.000 0.270 239 T C 1.774 176.486 174.700 0.020 0.000 1.082 239 T CA 1.641 63.778 62.100 0.062 0.000 1.123 239 T CB -0.382 68.564 68.868 0.130 0.000 0.856 239 T HN 0.774 nan 8.240 nan 0.000 0.499 240 A N 2.357 125.178 122.820 0.002 0.000 1.978 240 A HA 0.113 4.432 4.320 -0.001 0.000 0.220 240 A C 2.226 179.765 177.584 -0.075 0.000 1.170 240 A CA 1.470 53.490 52.037 -0.028 0.000 0.636 240 A CB -0.770 18.230 19.000 -0.000 0.000 0.810 240 A HN 0.952 nan 8.150 nan 0.000 0.448 241 I N -4.255 116.284 120.570 -0.050 0.000 3.816 241 I HA 0.363 4.533 4.170 -0.001 0.000 0.334 241 I C 0.702 176.783 176.117 -0.059 0.000 1.551 241 I CA -0.419 60.838 61.300 -0.071 0.000 1.153 241 I CB 0.102 38.079 38.000 -0.038 0.000 1.197 241 I HN 0.072 nan 8.210 nan 0.000 0.439 242 R N 2.797 123.268 120.500 -0.048 0.000 4.154 242 R HA 0.433 4.773 4.340 -0.001 0.000 0.186 242 R C -0.924 175.373 176.300 -0.005 0.000 1.750 242 R CA 0.048 56.129 56.100 -0.031 0.000 1.431 242 R CB -0.243 30.036 30.300 -0.034 0.000 1.383 242 R HN 0.511 nan 8.270 nan 0.000 0.788 243 I N 0.813 121.380 120.570 -0.005 0.000 2.466 243 I HA 0.273 4.443 4.170 -0.001 0.000 0.289 243 I C 0.952 177.111 176.117 0.069 0.000 1.026 243 I CA -0.724 60.618 61.300 0.071 0.000 1.078 243 I CB 2.320 40.315 38.000 -0.010 0.000 1.249 243 I HN 0.438 nan 8.210 nan 0.000 0.429 244 G N 3.315 112.185 108.800 0.118 0.000 2.921 244 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.213 244 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.213 244 G C 0.426 175.427 174.900 0.169 0.000 1.143 244 G CA 0.170 45.331 45.100 0.103 0.000 0.764 244 G HN 0.502 nan 8.290 nan 0.000 0.542 245 N N 0.927 119.753 118.700 0.210 0.000 2.752 245 N HA 0.277 5.016 4.740 -0.001 0.000 0.260 245 N C -2.875 172.818 175.510 0.305 0.000 1.562 245 N CA -1.658 51.572 53.050 0.300 0.000 0.788 245 N CB 1.499 40.111 38.487 0.208 0.000 1.192 245 N HN -0.053 nan 8.380 nan 0.000 0.503 246 P HA -0.010 nan 4.420 nan 0.000 0.258 246 P C 0.633 178.095 177.300 0.270 0.000 1.172 246 P CA 0.095 63.313 63.100 0.197 0.000 0.762 246 P CB 0.960 32.663 31.700 0.005 0.000 0.764 247 A N 4.055 127.005 122.820 0.216 0.000 1.933 247 A HA -0.108 4.212 4.320 -0.001 0.000 0.218 247 A C 1.810 179.495 177.584 0.169 0.000 1.175 247 A CA 1.402 53.547 52.037 0.180 0.000 0.628 247 A CB -0.797 18.297 19.000 0.155 0.000 0.814 247 A HN 0.549 nan 8.150 nan 0.000 0.444 248 S N -0.641 115.149 115.700 0.150 0.000 2.582 248 S HA 0.048 4.518 4.470 -0.001 0.000 0.249 248 S C 0.749 175.446 174.600 0.162 0.000 1.072 248 S CA -0.705 57.572 58.200 0.129 0.000 1.115 248 S CB -0.416 62.833 63.200 0.081 0.000 0.790 248 S HN 0.638 nan 8.310 nan 0.000 0.459 249 W N 2.679 123.987 121.300 0.013 0.000 2.302 249 W HA -0.213 4.447 4.660 -0.001 0.000 0.320 249 W C 1.400 177.915 176.519 -0.007 0.000 1.241 249 W CA 1.727 59.073 57.345 0.001 0.000 1.264 249 W CB -0.417 29.045 29.460 0.004 0.000 1.154 249 W HN 0.398 nan 8.180 nan 0.000 0.483 250 Q N -0.500 119.519 119.800 0.366 0.000 2.119 250 Q HA -0.081 4.259 4.340 -0.001 0.000 0.201 250 Q C 2.434 178.516 176.000 0.135 0.000 0.972 250 Q CA 1.785 57.725 55.803 0.229 0.000 0.847 250 Q CB -1.473 27.346 28.738 0.134 0.000 0.903 250 Q HN 0.433 nan 8.270 nan 0.000 0.433 251 G N 0.903 109.771 108.800 0.114 0.000 2.418 251 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.217 251 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.217 251 G C 1.570 176.493 174.900 0.039 0.000 1.158 251 G CA 1.248 46.397 45.100 0.082 0.000 0.771 251 G HN 0.464 nan 8.290 nan 0.000 0.545 252 A N 0.149 122.970 122.820 0.000 0.000 1.873 252 A HA 0.101 4.420 4.320 -0.001 0.000 0.215 252 A C 2.608 180.128 177.584 -0.108 0.000 1.186 252 A CA 1.794 53.779 52.037 -0.088 0.000 0.616 252 A CB -0.690 18.214 19.000 -0.161 0.000 0.823 252 A HN 0.255 nan 8.150 nan 0.000 0.442 253 V N 0.301 120.185 119.914 -0.050 0.000 2.332 253 V HA -0.277 3.843 4.120 -0.001 0.000 0.248 253 V C 2.673 178.736 176.094 -0.052 0.000 1.055 253 V CA 2.372 64.652 62.300 -0.034 0.000 1.038 253 V CB -0.861 31.014 31.823 0.086 0.000 0.651 253 V HN 0.684 nan 8.190 nan 0.000 0.450 254 R N 0.242 120.734 120.500 -0.013 0.000 2.092 254 R HA -0.127 4.213 4.340 -0.001 0.000 0.231 254 R C 2.282 178.509 176.300 -0.121 0.000 1.119 254 R CA 1.558 57.652 56.100 -0.009 0.000 0.970 254 R CB -0.399 29.943 30.300 0.069 0.000 0.864 254 R HN 0.476 nan 8.270 nan 0.000 0.440 255 A N 1.529 124.233 122.820 -0.194 0.000 1.902 255 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 255 A C 2.094 179.266 177.584 -0.688 0.000 1.181 255 A CA 1.579 53.267 52.037 -0.582 0.000 0.623 255 A CB -0.517 18.303 19.000 -0.301 0.000 0.818 255 A HN 0.410 nan 8.150 nan 0.000 0.443 256 K N -0.101 120.066 120.400 -0.389 0.000 2.009 256 K HA -0.222 4.098 4.320 -0.001 0.000 0.210 256 K C 1.937 178.353 176.600 -0.306 0.000 1.049 256 K CA 1.867 57.954 56.287 -0.333 0.000 0.929 256 K CB -0.258 32.103 32.500 -0.232 0.000 0.714 256 K HN 0.613 nan 8.250 nan 0.000 0.440 257 E N 0.431 120.498 120.200 -0.221 0.000 2.023 257 E HA -0.202 4.148 4.350 -0.001 0.000 0.196 257 E C 2.077 178.581 176.600 -0.159 0.000 1.003 257 E CA 1.795 58.106 56.400 -0.147 0.000 0.809 257 E CB -0.026 29.630 29.700 -0.075 0.000 0.755 257 E HN 0.414 nan 8.360 nan 0.000 0.449 258 E N 0.312 120.409 120.200 -0.172 0.000 2.110 258 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 258 E C 2.147 178.653 176.600 -0.157 0.000 0.988 258 E CA 1.396 57.770 56.400 -0.044 0.000 0.804 258 E CB -0.062 29.789 29.700 0.251 0.000 0.745 258 E HN 0.190 nan 8.360 nan 0.000 0.458 259 S N -0.614 114.665 115.700 -0.703 0.000 2.528 259 S HA 0.129 4.599 4.470 -0.001 0.000 0.219 259 S C 1.564 175.978 174.600 -0.310 0.000 0.985 259 S CA 0.349 58.098 58.200 -0.752 0.000 0.914 259 S CB 0.406 62.779 63.200 -1.379 0.000 0.776 259 S HN 0.347 nan 8.310 nan 0.000 0.526 260 G N 0.498 109.152 108.800 -0.244 0.000 2.198 260 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.257 260 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.257 260 G C 0.388 175.214 174.900 -0.122 0.000 1.042 260 G CA 0.060 45.079 45.100 -0.135 0.000 0.791 260 G HN 1.034 nan 8.290 nan 0.000 0.502 261 G N -1.733 106.955 108.800 -0.187 0.000 2.736 261 G HA2 0.982 4.941 3.960 -0.001 0.000 0.229 261 G HA3 0.982 4.941 3.960 -0.001 0.000 0.229 261 G C 0.148 174.957 174.900 -0.152 0.000 1.380 261 G CA 0.472 45.487 45.100 -0.143 0.000 1.040 261 G HN 1.729 nan 8.290 nan 0.000 0.568 262 V N -3.185 116.612 119.914 -0.194 0.000 3.206 262 V HA 0.784 4.903 4.120 -0.001 0.000 0.305 262 V C -1.170 174.715 176.094 -0.349 0.000 1.257 262 V CA -1.148 61.020 62.300 -0.221 0.000 1.057 262 V CB 1.930 33.651 31.823 -0.170 0.000 1.075 262 V HN 0.640 nan 8.190 nan 0.000 0.443 263 I N 1.487 121.866 120.570 -0.318 0.000 2.503 263 I HA 0.598 4.768 4.170 -0.001 0.000 0.282 263 I C -0.418 175.529 176.117 -0.283 0.000 1.059 263 I CA -0.099 60.975 61.300 -0.377 0.000 1.081 263 I CB 1.705 39.527 38.000 -0.297 0.000 1.210 263 I HN 0.837 nan 8.210 nan 0.000 0.450 264 E N 3.577 123.588 120.200 -0.314 0.000 2.404 264 E HA 0.837 5.186 4.350 -0.001 0.000 0.264 264 E C -0.822 175.816 176.600 0.064 0.000 0.946 264 E CA -1.044 55.313 56.400 -0.072 0.000 0.806 264 E CB 2.440 32.161 29.700 0.035 0.000 1.334 264 E HN 0.568 nan 8.360 nan 0.000 0.429 265 A N 0.560 123.436 122.820 0.093 0.000 2.320 265 A HA 0.700 5.020 4.320 -0.001 0.000 0.334 265 A C -0.649 177.006 177.584 0.118 0.000 1.147 265 A CA -0.620 51.475 52.037 0.098 0.000 0.820 265 A CB 0.903 19.924 19.000 0.034 0.000 1.218 265 A HN 0.349 nan 8.150 nan 0.000 0.482 266 V N -0.553 119.413 119.914 0.088 0.000 2.709 266 V HA 0.785 4.905 4.120 -0.001 0.000 0.308 266 V C 0.161 176.271 176.094 0.027 0.000 1.062 266 V CA -0.143 62.182 62.300 0.041 0.000 0.901 266 V CB 0.803 32.635 31.823 0.014 0.000 1.003 266 V HN 1.228 nan 8.190 nan 0.000 0.425 267 T N -0.680 113.881 114.554 0.012 0.000 2.813 267 T HA 0.219 4.568 4.350 -0.001 0.000 0.297 267 T C 0.615 175.326 174.700 0.018 0.000 1.036 267 T CA 0.284 62.391 62.100 0.011 0.000 1.044 267 T CB 0.873 69.741 68.868 0.000 0.000 0.993 267 T HN 0.702 nan 8.240 nan 0.000 0.535 268 D N -0.079 120.331 120.400 0.017 0.000 2.178 268 D HA -0.078 4.561 4.640 -0.001 0.000 0.201 268 D C 1.909 178.228 176.300 0.032 0.000 0.980 268 D CA 1.266 55.277 54.000 0.019 0.000 0.842 268 D CB -0.190 40.618 40.800 0.014 0.000 0.948 268 D HN 0.878 nan 8.370 nan 0.000 0.472 269 E N 0.490 120.710 120.200 0.032 0.000 2.077 269 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 269 E C 1.655 178.302 176.600 0.078 0.000 0.989 269 E CA 0.940 57.369 56.400 0.049 0.000 0.800 269 E CB 0.136 29.851 29.700 0.024 0.000 0.746 269 E HN 0.316 nan 8.360 nan 0.000 0.452 270 E N 0.164 120.390 120.200 0.043 0.000 2.150 270 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 270 E C 2.154 178.835 176.600 0.135 0.000 0.985 270 E CA 0.806 57.236 56.400 0.050 0.000 0.814 270 E CB 0.005 29.696 29.700 -0.015 0.000 0.752 270 E HN 0.378 nan 8.360 nan 0.000 0.466 271 I N 1.012 121.642 120.570 0.099 0.000 2.179 271 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 271 I C 2.295 178.512 176.117 0.166 0.000 1.088 271 I CA 1.041 62.407 61.300 0.110 0.000 1.357 271 I CB -0.188 37.840 38.000 0.046 0.000 1.051 271 I HN 0.132 nan 8.210 nan 0.000 0.409 272 L N -0.382 120.925 121.223 0.140 0.000 2.079 272 L HA -0.250 4.089 4.340 -0.001 0.000 0.210 272 L C 2.584 179.613 176.870 0.266 0.000 1.081 272 L CA 1.383 56.337 54.840 0.189 0.000 0.752 272 L CB -0.641 41.497 42.059 0.132 0.000 0.896 272 L HN 0.217 nan 8.230 nan 0.000 0.433 273 F N 0.889 120.897 119.950 0.096 0.000 2.102 273 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 273 F C 2.433 178.315 175.800 0.136 0.000 1.105 273 F CA 1.421 59.454 58.000 0.054 0.000 1.239 273 F CB -0.167 38.790 39.000 -0.072 0.000 0.991 273 F HN -0.014 nan 8.300 nan 0.000 0.474 274 A N -0.936 122.124 122.820 0.400 0.000 1.968 274 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 274 A C 2.038 179.835 177.584 0.354 0.000 1.169 274 A CA 1.330 53.645 52.037 0.464 0.000 0.638 274 A CB -1.535 17.731 19.000 0.443 0.000 0.812 274 A HN 0.636 nan 8.150 nan 0.000 0.446 275 Y N 0.679 121.068 120.300 0.150 0.000 2.145 275 Y HA -0.227 4.323 4.550 -0.001 0.000 0.286 275 Y C 2.464 178.411 175.900 0.078 0.000 1.145 275 Y CA 2.269 60.441 58.100 0.120 0.000 1.148 275 Y CB -0.394 38.135 38.460 0.115 0.000 0.981 275 Y HN 0.312 nan 8.280 nan 0.000 0.507 276 R N -1.099 119.423 120.500 0.036 0.000 2.075 276 R HA -0.221 4.118 4.340 -0.001 0.000 0.232 276 R C 2.300 178.488 176.300 -0.186 0.000 1.126 276 R CA 1.612 57.616 56.100 -0.161 0.000 0.963 276 R CB -0.936 29.285 30.300 -0.131 0.000 0.858 276 R HN 0.529 nan 8.270 nan 0.000 0.435 277 Y N 1.238 121.398 120.300 -0.234 0.000 2.097 277 Y HA -0.241 4.309 4.550 -0.000 0.000 0.282 277 Y C 1.804 177.656 175.900 -0.080 0.000 1.152 277 Y CA 1.984 59.987 58.100 -0.163 0.000 1.136 277 Y CB -0.447 38.011 38.460 -0.002 0.000 0.975 277 Y HN 0.039 nan 8.280 nan 0.000 0.498 278 L N -0.108 121.033 121.223 -0.137 0.000 2.012 278 L HA -0.285 4.055 4.340 -0.001 0.000 0.210 278 L C 2.815 179.510 176.870 -0.290 0.000 1.073 278 L CA 1.464 56.169 54.840 -0.226 0.000 0.748 278 L CB -1.099 40.949 42.059 -0.019 0.000 0.891 278 L HN 0.405 nan 8.230 nan 0.000 0.431 279 A N -0.265 122.409 122.820 -0.243 0.000 1.873 279 A HA -0.217 4.103 4.320 -0.001 0.000 0.215 279 A C 2.418 179.839 177.584 -0.272 0.000 1.186 279 A CA 1.695 53.582 52.037 -0.248 0.000 0.616 279 A CB -0.498 18.306 19.000 -0.326 0.000 0.823 279 A HN 0.303 nan 8.150 nan 0.000 0.442 280 R N -1.158 119.167 120.500 -0.292 0.000 2.119 280 R HA -0.041 4.298 4.340 -0.001 0.000 0.222 280 R C 1.651 177.790 176.300 -0.268 0.000 1.088 280 R CA 1.247 57.195 56.100 -0.253 0.000 0.984 280 R CB 0.075 30.242 30.300 -0.222 0.000 0.884 280 R HN 0.441 nan 8.270 nan 0.000 0.447 281 E N -0.366 119.588 120.200 -0.409 0.000 2.206 281 E HA -0.015 4.335 4.350 -0.001 0.000 0.195 281 E C 1.459 177.837 176.600 -0.371 0.000 0.935 281 E CA 0.602 56.750 56.400 -0.421 0.000 0.875 281 E CB 0.334 29.628 29.700 -0.676 0.000 0.841 281 E HN 0.222 nan 8.360 nan 0.000 0.477 282 E N -0.132 119.800 120.200 -0.446 0.000 2.400 282 E HA 0.102 4.452 4.350 -0.001 0.000 0.195 282 E C 0.971 177.449 176.600 -0.204 0.000 1.012 282 E CA 0.676 56.903 56.400 -0.288 0.000 0.875 282 E CB 0.652 30.182 29.700 -0.284 0.000 0.859 282 E HN 0.332 nan 8.360 nan 0.000 0.498 283 G N 1.907 110.583 108.800 -0.207 0.000 2.136 283 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.242 283 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.242 283 G C 0.256 175.083 174.900 -0.122 0.000 0.989 283 G CA 0.308 45.322 45.100 -0.143 0.000 0.682 283 G HN 0.241 nan 8.290 nan 0.000 0.522 284 I N 0.458 120.922 120.570 -0.176 0.000 2.339 284 I HA 0.475 4.645 4.170 -0.001 0.000 0.290 284 I C -0.333 175.727 176.117 -0.095 0.000 0.994 284 I CA -1.059 60.103 61.300 -0.229 0.000 1.191 284 I CB 1.196 38.956 38.000 -0.401 0.000 1.343 284 I HN 0.013 nan 8.210 nan 0.000 0.458 285 F N 8.570 128.392 119.950 -0.214 0.000 2.334 285 F HA 0.514 5.041 4.527 -0.001 0.000 0.367 285 F C 0.120 175.836 175.800 -0.140 0.000 1.115 285 F CA -1.539 56.353 58.000 -0.181 0.000 1.116 285 F CB 0.485 39.414 39.000 -0.118 0.000 1.230 285 F HN 0.583 nan 8.300 nan 0.000 0.484 286 C N 4.389 123.631 119.300 -0.098 0.000 2.779 286 C HA 0.800 5.259 4.460 -0.001 0.000 0.314 286 C C -0.151 174.827 174.990 -0.020 0.000 1.231 286 C CA -0.957 58.011 59.018 -0.084 0.000 1.652 286 C CB 1.107 28.894 27.740 0.079 0.000 2.198 286 C HN 0.882 nan 8.230 nan 0.000 0.483 287 E N 1.870 122.059 120.200 -0.019 0.000 2.408 287 E HA 0.249 4.598 4.350 -0.001 0.000 0.259 287 E C -1.990 174.654 176.600 0.074 0.000 1.110 287 E CA -0.836 55.585 56.400 0.034 0.000 0.929 287 E CB 0.173 29.870 29.700 -0.005 0.000 0.971 287 E HN 0.426 nan 8.360 nan 0.000 0.438 288 P HA -0.321 nan 4.420 nan 0.000 0.217 288 P C 1.278 178.566 177.300 -0.020 0.000 1.162 288 P CA 2.635 65.618 63.100 -0.195 0.000 0.901 288 P CB -0.105 31.409 31.700 -0.310 0.000 0.793 289 A N -0.760 122.058 122.820 -0.003 0.000 1.892 289 A HA -0.251 4.069 4.320 -0.001 0.000 0.218 289 A C 2.345 179.967 177.584 0.064 0.000 1.188 289 A CA 2.602 54.657 52.037 0.030 0.000 0.631 289 A CB -1.659 17.361 19.000 0.034 0.000 0.822 289 A HN 0.185 nan 8.150 nan 0.000 0.447 290 S N -0.064 115.687 115.700 0.086 0.000 2.382 290 S HA -0.039 4.431 4.470 -0.001 0.000 0.228 290 S C 2.209 176.873 174.600 0.106 0.000 1.027 290 S CA 1.122 59.385 58.200 0.106 0.000 0.991 290 S CB -0.494 62.783 63.200 0.128 0.000 0.823 290 S HN 0.848 nan 8.310 nan 0.000 0.469 291 A N 1.456 124.356 122.820 0.132 0.000 2.070 291 A HA 0.175 4.495 4.320 -0.001 0.000 0.220 291 A C 2.277 179.923 177.584 0.104 0.000 1.159 291 A CA 1.391 53.523 52.037 0.158 0.000 0.656 291 A CB -0.867 18.290 19.000 0.261 0.000 0.800 291 A HN 0.508 nan 8.150 nan 0.000 0.453 292 A N -0.025 122.840 122.820 0.074 0.000 1.978 292 A HA 0.111 4.431 4.320 -0.001 0.000 0.220 292 A C 2.426 179.998 177.584 -0.020 0.000 1.170 292 A CA 1.945 54.007 52.037 0.042 0.000 0.636 292 A CB -0.818 18.222 19.000 0.067 0.000 0.810 292 A HN 1.014 nan 8.150 nan 0.000 0.448 293 A N -0.967 121.869 122.820 0.026 0.000 1.902 293 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 293 A C 2.160 179.655 177.584 -0.149 0.000 1.181 293 A CA 2.186 54.231 52.037 0.015 0.000 0.623 293 A CB -0.447 18.602 19.000 0.081 0.000 0.818 293 A HN 0.566 nan 8.150 nan 0.000 0.443 294 M N 0.116 119.665 119.600 -0.085 0.000 2.200 294 M HA 0.089 4.568 4.480 -0.001 0.000 0.265 294 M C 2.087 178.292 176.300 -0.159 0.000 1.066 294 M CA 1.524 56.736 55.300 -0.147 0.000 1.127 294 M CB -0.591 32.001 32.600 -0.013 0.000 1.379 294 M HN 0.353 nan 8.290 nan 0.000 0.420 295 A N -0.412 122.387 122.820 -0.035 0.000 1.933 295 A HA 0.018 4.337 4.320 -0.001 0.000 0.218 295 A C 2.332 179.751 177.584 -0.274 0.000 1.175 295 A CA 1.731 53.786 52.037 0.029 0.000 0.628 295 A CB -1.781 17.231 19.000 0.020 0.000 0.814 295 A HN 0.605 nan 8.150 nan 0.000 0.444 296 G N -0.695 107.648 108.800 -0.762 0.000 2.422 296 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.218 296 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.218 296 G C 1.465 175.832 174.900 -0.889 0.000 1.146 296 G CA 1.199 45.255 45.100 -1.739 0.000 0.769 296 G HN 0.327 nan 8.290 nan 0.000 0.547 297 V N 0.112 119.685 119.914 -0.568 0.000 2.427 297 V HA -0.060 4.060 4.120 -0.001 0.000 0.248 297 V C 2.419 178.331 176.094 -0.303 0.000 1.051 297 V CA 1.289 63.369 62.300 -0.367 0.000 1.048 297 V CB -0.603 30.996 31.823 -0.372 0.000 0.666 297 V HN 0.384 nan 8.190 nan 0.000 0.456 298 F N 0.463 120.267 119.950 -0.243 0.000 2.134 298 F HA -0.188 4.339 4.527 -0.001 0.000 0.299 298 F C 2.526 178.210 175.800 -0.195 0.000 1.097 298 F CA 1.987 59.863 58.000 -0.208 0.000 1.264 298 F CB -0.161 38.723 39.000 -0.193 0.000 1.001 298 F HN 0.026 nan 8.300 nan 0.000 0.479 299 K N 0.455 120.844 120.400 -0.019 0.000 2.009 299 K HA -0.225 4.094 4.320 -0.001 0.000 0.210 299 K C 1.928 178.505 176.600 -0.038 0.000 1.049 299 K CA 1.598 57.856 56.287 -0.049 0.000 0.929 299 K CB -0.323 32.133 32.500 -0.072 0.000 0.714 299 K HN 0.121 nan 8.250 nan 0.000 0.440 300 L N 1.244 122.435 121.223 -0.053 0.000 2.093 300 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 300 L C 2.197 179.021 176.870 -0.076 0.000 1.085 300 L CA 1.247 56.057 54.840 -0.051 0.000 0.755 300 L CB -0.442 41.580 42.059 -0.062 0.000 0.904 300 L HN 0.229 nan 8.230 nan 0.000 0.435 301 L N -0.891 120.278 121.223 -0.090 0.000 2.046 301 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 301 L C 2.779 179.625 176.870 -0.041 0.000 1.077 301 L CA 1.312 56.106 54.840 -0.076 0.000 0.747 301 L CB -0.495 41.520 42.059 -0.072 0.000 0.896 301 L HN 0.294 nan 8.230 nan 0.000 0.432 302 R N 0.767 121.251 120.500 -0.027 0.000 2.120 302 R HA -0.174 4.165 4.340 -0.001 0.000 0.234 302 R C 1.529 177.808 176.300 -0.035 0.000 1.123 302 R CA 1.559 57.639 56.100 -0.033 0.000 0.975 302 R CB -0.022 30.250 30.300 -0.046 0.000 0.866 302 R HN 0.456 nan 8.270 nan 0.000 0.446 303 E N -0.846 119.334 120.200 -0.033 0.000 2.479 303 E HA 0.107 4.457 4.350 -0.001 0.000 0.193 303 E C 0.471 177.055 176.600 -0.026 0.000 1.049 303 E CA 0.321 56.705 56.400 -0.026 0.000 0.870 303 E CB 0.585 30.274 29.700 -0.019 0.000 0.944 303 E HN 0.585 nan 8.360 nan 0.000 0.492 304 G N 2.421 111.201 108.800 -0.034 0.000 2.305 304 G HA2 -0.356 3.603 3.960 -0.001 0.000 0.287 304 G HA3 -0.356 3.603 3.960 -0.001 0.000 0.287 304 G C 0.550 175.431 174.900 -0.032 0.000 1.036 304 G CA 0.355 45.436 45.100 -0.032 0.000 0.887 304 G HN 0.278 nan 8.290 nan 0.000 0.505 305 R N -1.030 119.443 120.500 -0.047 0.000 2.466 305 R HA 0.392 4.732 4.340 -0.001 0.000 0.279 305 R C 0.533 176.782 176.300 -0.084 0.000 0.976 305 R CA -0.023 56.053 56.100 -0.040 0.000 1.081 305 R CB 0.431 30.715 30.300 -0.027 0.000 1.215 305 R HN 0.410 nan 8.270 nan 0.000 0.546 306 L N 1.585 122.730 121.223 -0.129 0.000 2.325 306 L HA 0.311 4.651 4.340 -0.001 0.000 0.281 306 L C -0.207 176.649 176.870 -0.023 0.000 1.004 306 L CA -0.857 53.845 54.840 -0.230 0.000 0.823 306 L CB 2.039 43.864 42.059 -0.390 0.000 1.236 306 L HN 0.083 nan 8.230 nan 0.000 0.415 307 E N 4.815 125.108 120.200 0.155 0.000 2.502 307 E HA 0.008 4.357 4.350 -0.001 0.000 0.261 307 E C -2.183 174.434 176.600 0.027 0.000 0.974 307 E CA -1.172 55.286 56.400 0.097 0.000 0.936 307 E CB -0.037 29.720 29.700 0.096 0.000 0.926 307 E HN 0.296 nan 8.360 nan 0.000 0.459 308 P HA -0.036 nan 4.420 nan 0.000 0.274 308 P C -0.370 176.905 177.300 -0.041 0.000 1.237 308 P CA 0.022 63.110 63.100 -0.019 0.000 0.793 308 P CB 0.707 32.399 31.700 -0.013 0.000 0.977 309 E N -2.305 117.874 120.200 -0.035 0.000 3.286 309 E HA -0.143 4.206 4.350 -0.001 0.000 0.292 309 E C 0.234 176.774 176.600 -0.101 0.000 0.928 309 E CA 0.985 57.362 56.400 -0.039 0.000 0.982 309 E CB -2.518 27.163 29.700 -0.031 0.000 1.500 309 E HN 0.719 nan 8.360 nan 0.000 0.441 310 S N -0.997 114.627 115.700 -0.128 0.000 2.687 310 S HA 0.641 5.110 4.470 -0.001 0.000 0.283 310 S C 0.291 174.945 174.600 0.091 0.000 1.170 310 S CA -0.475 57.557 58.200 -0.279 0.000 1.008 310 S CB 2.362 65.469 63.200 -0.156 0.000 1.026 310 S HN 0.004 nan 8.310 nan 0.000 0.541 311 T N 1.564 116.357 114.554 0.399 0.000 2.771 311 T HA 0.571 4.920 4.350 -0.001 0.000 0.281 311 T C -0.858 174.069 174.700 0.379 0.000 0.982 311 T CA -0.491 61.850 62.100 0.402 0.000 0.978 311 T CB 0.979 70.079 68.868 0.385 0.000 0.930 311 T HN 0.546 nan 8.240 nan 0.000 0.447 312 V N 4.408 124.496 119.914 0.291 0.000 2.444 312 V HA 0.493 4.612 4.120 -0.001 0.000 0.294 312 V C -0.236 175.955 176.094 0.162 0.000 1.022 312 V CA -0.768 61.667 62.300 0.225 0.000 0.850 312 V CB 1.830 33.721 31.823 0.113 0.000 0.992 312 V HN 0.660 nan 8.190 nan 0.000 0.426 313 V N 6.370 126.309 119.914 0.041 0.000 2.459 313 V HA 0.552 4.672 4.120 -0.001 0.000 0.295 313 V C -0.516 175.444 176.094 -0.223 0.000 1.029 313 V CA -0.561 61.670 62.300 -0.115 0.000 0.874 313 V CB 1.753 33.376 31.823 -0.334 0.000 0.985 313 V HN 0.629 nan 8.190 nan 0.000 0.438 314 L N 3.469 124.654 121.223 -0.065 0.000 2.322 314 L HA 0.532 4.872 4.340 -0.001 0.000 0.281 314 L C 0.419 177.365 176.870 0.127 0.000 1.014 314 L CA 0.002 54.867 54.840 0.041 0.000 0.815 314 L CB 1.981 44.061 42.059 0.036 0.000 1.247 314 L HN 0.535 nan 8.230 nan 0.000 0.421 315 T N 4.464 119.166 114.554 0.247 0.000 2.794 315 T HA 0.418 4.767 4.350 -0.001 0.000 0.304 315 T C 0.193 174.986 174.700 0.154 0.000 0.973 315 T CA -0.254 62.002 62.100 0.260 0.000 0.972 315 T CB -0.212 68.836 68.868 0.300 0.000 0.952 315 T HN 0.273 nan 8.240 nan 0.000 0.509 316 L N 4.608 125.936 121.223 0.175 0.000 2.334 316 L HA 0.172 4.512 4.340 -0.001 0.000 0.286 316 L C 2.197 179.207 176.870 0.234 0.000 1.108 316 L CA -0.546 54.401 54.840 0.178 0.000 0.875 316 L CB 0.121 42.279 42.059 0.164 0.000 1.246 316 L HN 0.758 nan 8.230 nan 0.000 0.439 317 T N -0.741 113.932 114.554 0.198 0.000 2.759 317 T HA -0.064 4.286 4.350 -0.001 0.000 0.269 317 T C 0.897 175.803 174.700 0.342 0.000 1.042 317 T CA 0.905 63.194 62.100 0.316 0.000 1.140 317 T CB -0.064 68.997 68.868 0.322 0.000 0.864 317 T HN 0.605 nan 8.240 nan 0.000 0.455 318 G N -0.277 108.657 108.800 0.222 0.000 2.667 318 G HA2 0.483 4.443 3.960 -0.001 0.000 0.298 318 G HA3 0.483 4.443 3.960 -0.001 0.000 0.298 318 G C -1.501 173.467 174.900 0.114 0.000 1.377 318 G CA -0.743 44.449 45.100 0.153 0.000 0.964 318 G HN 0.341 nan 8.290 nan 0.000 0.493 319 H N 0.682 119.746 119.070 -0.010 0.000 2.815 319 H HA 0.149 4.705 4.556 -0.001 0.000 0.350 319 H C 1.742 176.924 175.328 -0.243 0.000 1.080 319 H CA 1.053 57.058 56.048 -0.072 0.000 1.433 319 H CB 1.580 31.276 29.762 -0.111 0.000 1.432 319 H HN 0.570 nan 8.280 nan 0.000 0.592 320 G N 4.523 112.910 108.800 -0.689 0.000 2.450 320 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.220 320 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.220 320 G C 1.840 176.352 174.900 -0.646 0.000 1.130 320 G CA 0.398 44.625 45.100 -1.456 0.000 0.760 320 G HN 0.662 nan 8.290 nan 0.000 0.557 321 L N -0.039 121.214 121.223 0.049 0.000 2.447 321 L HA -0.065 4.275 4.340 -0.001 0.000 0.225 321 L C 2.737 179.655 176.870 0.080 0.000 1.148 321 L CA 0.601 55.550 54.840 0.182 0.000 0.808 321 L CB -0.194 41.923 42.059 0.096 0.000 0.928 321 L HN 0.115 nan 8.230 nan 0.000 0.448 322 K N -0.138 120.283 120.400 0.034 0.000 2.097 322 K HA -0.125 4.194 4.320 -0.001 0.000 0.205 322 K C 0.466 177.090 176.600 0.040 0.000 1.050 322 K CA 1.017 57.322 56.287 0.030 0.000 0.938 322 K CB -0.166 32.347 32.500 0.021 0.000 0.718 322 K HN 0.186 nan 8.250 nan 0.000 0.442 323 D N 0.107 120.537 120.400 0.050 0.000 2.513 323 D HA 0.116 4.756 4.640 -0.001 0.000 0.295 323 D C -1.784 174.609 176.300 0.156 0.000 1.202 323 D CA -1.918 52.126 54.000 0.075 0.000 0.849 323 D CB 1.026 41.849 40.800 0.038 0.000 1.116 323 D HN -0.136 nan 8.370 nan 0.000 0.502 324 P HA -0.148 nan 4.420 nan 0.000 0.218 324 P C 1.337 178.743 177.300 0.177 0.000 1.149 324 P CA 0.706 63.938 63.100 0.221 0.000 0.817 324 P CB 0.284 32.081 31.700 0.160 0.000 0.785 325 A N 0.101 122.991 122.820 0.117 0.000 1.986 325 A HA -0.163 4.157 4.320 -0.001 0.000 0.220 325 A C 2.285 179.927 177.584 0.097 0.000 1.171 325 A CA 2.325 54.413 52.037 0.085 0.000 0.640 325 A CB -1.873 17.157 19.000 0.050 0.000 0.811 325 A HN 0.228 nan 8.150 nan 0.000 0.451 326 T N -0.108 114.515 114.554 0.116 0.000 3.035 326 T HA 0.162 4.512 4.350 -0.001 0.000 0.268 326 T C 2.105 176.943 174.700 0.230 0.000 1.109 326 T CA 0.914 63.073 62.100 0.099 0.000 1.119 326 T CB -0.287 68.547 68.868 -0.056 0.000 0.900 326 T HN 0.611 nan 8.240 nan 0.000 0.503 327 A N 2.021 125.026 122.820 0.309 0.000 1.917 327 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 327 A C 2.035 179.714 177.584 0.158 0.000 1.182 327 A CA 1.624 53.826 52.037 0.276 0.000 0.633 327 A CB -0.554 18.546 19.000 0.167 0.000 0.819 327 A HN 0.438 nan 8.150 nan 0.000 0.448 328 E N -0.345 119.923 120.200 0.113 0.000 2.510 328 E HA -0.136 4.213 4.350 -0.001 0.000 0.202 328 E C 1.574 178.216 176.600 0.071 0.000 1.072 328 E CA 1.049 57.492 56.400 0.072 0.000 0.883 328 E CB -0.182 29.550 29.700 0.055 0.000 0.818 328 E HN 0.837 nan 8.360 nan 0.000 0.548 329 R N -0.275 120.285 120.500 0.099 0.000 2.509 329 R HA 0.144 4.483 4.340 -0.001 0.000 0.300 329 R C 0.829 177.190 176.300 0.101 0.000 0.985 329 R CA 0.484 56.634 56.100 0.084 0.000 1.092 329 R CB 0.301 30.642 30.300 0.068 0.000 1.237 329 R HN 0.214 nan 8.270 nan 0.000 0.546 330 V N -4.694 115.289 119.914 0.114 0.000 3.411 330 V HA 0.642 4.762 4.120 -0.001 0.000 0.287 330 V C 0.294 176.407 176.094 0.031 0.000 1.543 330 V CA 0.131 62.487 62.300 0.093 0.000 1.028 330 V CB 0.694 32.607 31.823 0.150 0.000 0.840 330 V HN 0.283 nan 8.190 nan 0.000 0.435 331 A N 0.361 123.198 122.820 0.027 0.000 2.612 331 A HA 0.810 5.130 4.320 -0.001 0.000 0.293 331 A C -1.362 176.225 177.584 0.005 0.000 1.075 331 A CA -0.371 51.664 52.037 -0.002 0.000 0.680 331 A CB 1.957 20.937 19.000 -0.034 0.000 1.279 331 A HN 0.365 nan 8.150 nan 0.000 0.411 332 E N 0.283 120.481 120.200 -0.004 0.000 2.179 332 E HA 0.576 4.925 4.350 -0.001 0.000 0.275 332 E C -1.418 175.178 176.600 -0.007 0.000 0.945 332 E CA -0.508 55.892 56.400 -0.001 0.000 0.792 332 E CB 1.458 31.158 29.700 -0.000 0.000 1.125 332 E HN 0.665 nan 8.360 nan 0.000 0.397 333 L N 6.967 128.188 121.223 -0.003 0.000 2.261 333 L HA 0.472 4.812 4.340 -0.001 0.000 0.289 333 L C -2.219 174.648 176.870 -0.005 0.000 1.059 333 L CA -1.709 53.128 54.840 -0.006 0.000 0.816 333 L CB 0.542 42.600 42.059 -0.001 0.000 1.191 333 L HN 0.535 nan 8.230 nan 0.000 0.431 334 P HA 0.278 nan 4.420 nan 0.000 0.275 334 P C -2.629 174.668 177.300 -0.005 0.000 1.227 334 P CA -1.019 62.077 63.100 -0.006 0.000 0.781 334 P CB -0.102 31.593 31.700 -0.009 0.000 0.906 335 P HA 0.233 nan 4.420 nan 0.000 0.269 335 P C -2.381 174.917 177.300 -0.003 0.000 1.215 335 P CA -0.942 62.157 63.100 -0.002 0.000 0.780 335 P CB -0.946 30.753 31.700 -0.001 0.000 0.898 336 P HA 0.099 nan 4.420 nan 0.000 0.268 336 P C -0.438 176.859 177.300 -0.003 0.000 1.208 336 P CA -0.060 63.038 63.100 -0.003 0.000 0.777 336 P CB 0.278 31.977 31.700 -0.003 0.000 0.875 337 V N -0.382 119.530 119.914 -0.004 0.000 3.074 337 V HA 0.712 4.832 4.120 -0.001 0.000 0.314 337 V C -2.607 173.485 176.094 -0.004 0.000 1.117 337 V CA -2.580 59.718 62.300 -0.004 0.000 1.014 337 V CB 0.709 32.529 31.823 -0.005 0.000 1.057 337 V HN 0.326 nan 8.190 nan 0.000 0.438 338 P HA 0.331 nan 4.420 nan 0.000 0.267 338 P C 0.018 177.316 177.300 -0.003 0.000 1.200 338 P CA 0.186 63.284 63.100 -0.003 0.000 0.772 338 P CB 0.533 32.232 31.700 -0.003 0.000 0.855 339 A N 3.084 125.902 122.820 -0.003 0.000 3.004 339 A HA 0.149 4.469 4.320 -0.001 0.000 0.252 339 A C 0.174 177.756 177.584 -0.003 0.000 1.802 339 A CA 0.200 52.235 52.037 -0.004 0.000 1.424 339 A CB -1.031 17.968 19.000 -0.003 0.000 1.005 339 A HN 0.378 nan 8.150 nan 0.000 0.631 340 R N -0.644 119.854 120.500 -0.004 0.000 2.750 340 R HA 0.482 4.821 4.340 -0.001 0.000 0.281 340 R C 0.784 177.081 176.300 -0.004 0.000 0.972 340 R CA -0.879 55.219 56.100 -0.004 0.000 0.912 340 R CB 0.715 31.013 30.300 -0.003 0.000 1.187 340 R HN 0.260 nan 8.270 nan 0.000 0.464 341 L N 1.674 122.895 121.223 -0.004 0.000 2.013 341 L HA -0.161 4.179 4.340 -0.001 0.000 0.212 341 L C 1.926 178.794 176.870 -0.005 0.000 1.073 341 L CA 1.982 56.820 54.840 -0.004 0.000 0.753 341 L CB -0.308 41.748 42.059 -0.004 0.000 0.890 341 L HN 0.785 nan 8.230 nan 0.000 0.432 342 E N -0.170 120.027 120.200 -0.004 0.000 2.085 342 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 342 E C 2.014 178.611 176.600 -0.005 0.000 0.994 342 E CA 1.494 57.891 56.400 -0.004 0.000 0.801 342 E CB -0.150 29.548 29.700 -0.004 0.000 0.743 342 E HN 0.605 nan 8.360 nan 0.000 0.453 343 A N 0.607 123.424 122.820 -0.004 0.000 1.933 343 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 343 A C 2.555 180.136 177.584 -0.006 0.000 1.175 343 A CA 1.472 53.506 52.037 -0.005 0.000 0.628 343 A CB -0.574 18.424 19.000 -0.004 0.000 0.814 343 A HN 0.201 nan 8.150 nan 0.000 0.444 344 V N -0.267 119.643 119.914 -0.006 0.000 2.307 344 V HA -0.207 3.913 4.120 -0.001 0.000 0.245 344 V C 3.067 179.156 176.094 -0.007 0.000 1.045 344 V CA 1.856 64.152 62.300 -0.007 0.000 1.024 344 V CB -1.171 30.648 31.823 -0.007 0.000 0.651 344 V HN 0.601 nan 8.190 nan 0.000 0.449 345 A N -0.062 122.754 122.820 -0.007 0.000 1.940 345 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 345 A C 2.389 179.969 177.584 -0.007 0.000 1.176 345 A CA 2.215 54.248 52.037 -0.007 0.000 0.631 345 A CB -0.727 18.269 19.000 -0.006 0.000 0.814 345 A HN 0.572 nan 8.150 nan 0.000 0.446 346 A N -0.222 122.594 122.820 -0.007 0.000 1.873 346 A HA 0.225 4.545 4.320 -0.001 0.000 0.215 346 A C 2.506 180.085 177.584 -0.007 0.000 1.186 346 A CA 1.901 53.934 52.037 -0.007 0.000 0.616 346 A CB -1.048 17.949 19.000 -0.006 0.000 0.823 346 A HN 1.086 nan 8.150 nan 0.000 0.442 347 A N -0.244 122.571 122.820 -0.008 0.000 1.972 347 A HA 0.185 4.505 4.320 -0.001 0.000 0.219 347 A C 2.257 179.834 177.584 -0.011 0.000 1.169 347 A CA 1.841 53.872 52.037 -0.009 0.000 0.635 347 A CB -0.748 18.247 19.000 -0.009 0.000 0.810 347 A HN 1.093 nan 8.150 nan 0.000 0.446 348 A N -1.676 121.137 122.820 -0.011 0.000 2.238 348 A HA 0.403 4.723 4.320 -0.001 0.000 0.208 348 A C 1.776 179.352 177.584 -0.013 0.000 1.177 348 A CA 1.154 53.183 52.037 -0.013 0.000 0.804 348 A CB -1.022 17.971 19.000 -0.012 0.000 0.823 348 A HN 1.883 nan 8.150 nan 0.000 0.482 349 G N -1.018 107.775 108.800 -0.011 0.000 2.160 349 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.251 349 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.251 349 G C 0.552 175.446 174.900 -0.010 0.000 1.008 349 G CA 0.540 45.634 45.100 -0.011 0.000 0.724 349 G HN 0.524 nan 8.290 nan 0.000 0.514 350 L N -1.077 120.140 121.223 -0.009 0.000 2.607 350 L HA 0.443 4.783 4.340 -0.001 0.000 0.228 350 L C 1.443 178.309 176.870 -0.007 0.000 1.123 350 L CA 0.138 54.972 54.840 -0.009 0.000 0.890 350 L CB -0.021 42.033 42.059 -0.009 0.000 1.103 350 L HN 0.239 nan 8.230 nan 0.000 0.468 351 L N 0.000 121.219 121.223 -0.007 0.000 2.949 351 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 351 L CA 0.000 54.837 54.840 -0.006 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