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 3br2_1_B DATA FIRST_RESID 5 DATA SEQUENCE DKILGVAKEL FIKNGYNATT TGEIVKLSES SKGNLYXXXX TKENLFLEIL DATA SEQUENCE NIEESKWQEQ WKKEQIKAKT NREKFYLYNE LSLTTEYYYP LQNAIIEFYT DATA SEQUENCE EYXXTNSINE KMNKLQNKYI DAYHVIFKEG NLNGEWSIND VNAVSKIAAN DATA SEQUENCE AVNGIVTFTH EQNINERIKL MNKFSQIFLN GLS 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.310 176.300 0.016 0.000 2.045 5 D CA 0.000 54.010 54.000 0.016 0.000 0.868 5 D CB 0.000 40.808 40.800 0.013 0.000 0.688 6 K N 0.967 121.375 120.400 0.013 0.000 2.202 6 K HA 0.459 4.787 4.320 0.014 0.000 0.201 6 K C 2.242 178.848 176.600 0.011 0.000 1.051 6 K CA 1.125 57.419 56.287 0.011 0.000 0.977 6 K CB -1.162 31.342 32.500 0.007 0.000 0.792 6 K HN 0.174 nan 8.250 nan 0.000 0.469 7 I N 1.040 121.618 120.570 0.014 0.000 2.133 7 I HA 0.117 4.295 4.170 0.014 0.000 0.238 7 I C 2.674 178.807 176.117 0.028 0.000 1.074 7 I CA 1.567 62.877 61.300 0.016 0.000 1.342 7 I CB -1.107 36.906 38.000 0.023 0.000 1.053 7 I HN 0.348 nan 8.210 nan 0.000 0.404 8 L N 0.980 122.225 121.223 0.037 0.000 2.081 8 L HA -0.172 4.176 4.340 0.014 0.000 0.212 8 L C 2.880 179.781 176.870 0.051 0.000 1.080 8 L CA 1.648 56.518 54.840 0.051 0.000 0.754 8 L CB -1.047 41.034 42.059 0.036 0.000 0.893 8 L HN 0.598 nan 8.230 nan 0.000 0.433 9 G N -0.561 108.260 108.800 0.036 0.000 2.402 9 G HA2 -0.156 3.812 3.960 0.014 0.000 0.216 9 G HA3 -0.156 3.812 3.960 0.014 0.000 0.216 9 G C 1.582 176.498 174.900 0.027 0.000 1.162 9 G CA 0.994 46.114 45.100 0.034 0.000 0.777 9 G HN 0.381 nan 8.290 nan 0.000 0.539 10 V N 0.883 120.805 119.914 0.013 0.000 2.488 10 V HA 0.359 4.488 4.120 0.014 0.000 0.246 10 V C 2.986 179.065 176.094 -0.026 0.000 1.046 10 V CA 2.308 64.602 62.300 -0.010 0.000 1.053 10 V CB -0.845 30.964 31.823 -0.024 0.000 0.679 10 V HN 0.444 nan 8.190 nan 0.000 0.458 11 A N 0.226 123.042 122.820 -0.007 0.000 1.865 11 A HA -0.284 4.044 4.320 0.014 0.000 0.217 11 A C 2.339 180.001 177.584 0.130 0.000 1.191 11 A CA 2.562 54.588 52.037 -0.018 0.000 0.623 11 A CB -0.647 18.431 19.000 0.129 0.000 0.826 11 A HN 0.691 nan 8.150 nan 0.000 0.444 12 K N -0.266 120.247 120.400 0.189 0.000 2.015 12 K HA -0.326 4.003 4.320 0.014 0.000 0.220 12 K C 2.050 178.726 176.600 0.126 0.000 1.055 12 K CA 2.386 58.780 56.287 0.178 0.000 0.951 12 K CB -0.294 32.261 32.500 0.091 0.000 0.725 12 K HN 0.426 nan 8.250 nan 0.000 0.449 13 E N 0.458 120.691 120.200 0.056 0.000 2.070 13 E HA -0.228 4.130 4.350 0.014 0.000 0.197 13 E C 2.160 178.765 176.600 0.009 0.000 1.004 13 E CA 2.244 58.658 56.400 0.023 0.000 0.805 13 E CB -0.677 29.025 29.700 0.003 0.000 0.744 13 E HN 0.352 nan 8.360 nan 0.000 0.451 14 L N -0.146 121.053 121.223 -0.040 0.000 2.005 14 L HA -0.006 4.342 4.340 0.014 0.000 0.207 14 L C 2.768 179.600 176.870 -0.062 0.000 1.072 14 L CA 2.354 57.128 54.840 -0.110 0.000 0.744 14 L CB -1.799 40.115 42.059 -0.240 0.000 0.895 14 L HN 0.351 nan 8.230 nan 0.000 0.433 15 F N -0.692 119.282 119.950 0.041 0.000 2.192 15 F HA -0.219 4.315 4.527 0.010 0.000 0.301 15 F C 2.353 178.183 175.800 0.050 0.000 1.079 15 F CA 1.701 59.751 58.000 0.083 0.000 1.303 15 F CB -0.104 39.007 39.000 0.186 0.000 1.024 15 F HN 0.227 nan 8.300 nan 0.000 0.494 16 I N 0.042 120.727 120.570 0.191 0.000 2.333 16 I HA -0.230 3.949 4.170 0.014 0.000 0.246 16 I C 2.774 178.918 176.117 0.045 0.000 1.106 16 I CA 1.260 62.608 61.300 0.079 0.000 1.411 16 I CB -0.623 37.395 38.000 0.029 0.000 1.082 16 I HN 0.071 nan 8.210 nan 0.000 0.420 17 K N 1.059 121.481 120.400 0.035 0.000 2.025 17 K HA -0.088 4.241 4.320 0.014 0.000 0.207 17 K C 0.866 177.479 176.600 0.022 0.000 1.049 17 K CA 1.516 57.813 56.287 0.018 0.000 0.933 17 K CB -1.133 31.368 32.500 0.001 0.000 0.714 17 K HN 0.555 nan 8.250 nan 0.000 0.438 18 N N -2.223 116.492 118.700 0.025 0.000 2.815 18 N HA 0.511 5.259 4.740 0.014 0.000 0.315 18 N C 0.559 176.114 175.510 0.075 0.000 1.320 18 N CA -0.621 52.446 53.050 0.027 0.000 0.846 18 N CB 1.366 39.847 38.487 -0.009 0.000 1.344 18 N HN 0.351 nan 8.380 nan 0.000 0.593 19 G N -0.810 108.035 108.800 0.076 0.000 2.611 19 G HA2 -0.058 3.910 3.960 0.014 0.000 0.273 19 G HA3 -0.058 3.910 3.960 0.014 0.000 0.273 19 G C 0.002 175.049 174.900 0.245 0.000 1.305 19 G CA 0.058 45.239 45.100 0.134 0.000 1.010 19 G HN 0.678 nan 8.290 nan 0.000 0.509 20 Y N 0.046 120.428 120.300 0.136 0.000 2.220 20 Y HA -0.112 4.445 4.550 0.012 0.000 0.291 20 Y C 2.600 178.588 175.900 0.147 0.000 1.129 20 Y CA 2.229 60.430 58.100 0.168 0.000 1.161 20 Y CB 0.001 38.339 38.460 -0.204 0.000 0.997 20 Y HN 0.396 nan 8.280 nan 0.000 0.522 21 N N 0.571 119.270 118.700 -0.001 0.000 2.171 21 N HA -0.107 4.641 4.740 0.014 0.000 0.184 21 N C 2.008 177.458 175.510 -0.100 0.000 1.021 21 N CA 1.398 54.389 53.050 -0.099 0.000 0.854 21 N CB -0.737 37.769 38.487 0.030 0.000 0.994 21 N HN 0.487 nan 8.380 nan 0.000 0.426 22 A N 0.796 123.591 122.820 -0.041 0.000 1.972 22 A HA -0.068 4.260 4.320 0.014 0.000 0.219 22 A C 1.332 178.858 177.584 -0.098 0.000 1.169 22 A CA 1.371 53.378 52.037 -0.049 0.000 0.635 22 A CB -0.931 18.059 19.000 -0.016 0.000 0.810 22 A HN 0.464 nan 8.150 nan 0.000 0.446 23 T N -2.335 112.131 114.554 -0.147 0.000 2.889 23 T HA 0.491 4.850 4.350 0.014 0.000 0.291 23 T C -0.167 174.368 174.700 -0.275 0.000 0.995 23 T CA 0.232 62.177 62.100 -0.258 0.000 1.092 23 T CB 1.367 69.948 68.868 -0.479 0.000 0.954 23 T HN 0.321 nan 8.240 nan 0.000 0.506 24 T N 0.703 115.118 114.554 -0.231 0.000 2.901 24 T HA 0.398 4.757 4.350 0.014 0.000 0.293 24 T C 1.456 176.071 174.700 -0.141 0.000 1.084 24 T CA -0.386 61.614 62.100 -0.167 0.000 1.008 24 T CB 1.401 70.202 68.868 -0.112 0.000 1.170 24 T HN 0.665 nan 8.240 nan 0.000 0.509 25 T N 2.288 116.787 114.554 -0.091 0.000 2.699 25 T HA -0.018 4.340 4.350 0.014 0.000 0.268 25 T C 2.006 176.675 174.700 -0.052 0.000 1.036 25 T CA 2.036 64.104 62.100 -0.054 0.000 1.147 25 T CB -0.831 68.023 68.868 -0.024 0.000 0.862 25 T HN 0.805 nan 8.240 nan 0.000 0.446 26 G N 0.769 109.538 108.800 -0.053 0.000 2.404 26 G HA2 -0.133 3.835 3.960 0.014 0.000 0.215 26 G HA3 -0.133 3.835 3.960 0.014 0.000 0.215 26 G C 1.778 176.644 174.900 -0.056 0.000 1.174 26 G CA 1.385 46.458 45.100 -0.045 0.000 0.780 26 G HN 0.625 nan 8.290 nan 0.000 0.537 27 E N 0.380 120.535 120.200 -0.076 0.000 2.160 27 E HA 0.031 4.389 4.350 0.014 0.000 0.195 27 E C 2.633 179.177 176.600 -0.093 0.000 0.991 27 E CA 2.071 58.420 56.400 -0.085 0.000 0.810 27 E CB -1.002 28.633 29.700 -0.108 0.000 0.742 27 E HN 0.845 nan 8.360 nan 0.000 0.466 28 I N 0.674 121.180 120.570 -0.108 0.000 2.202 28 I HA 0.228 4.407 4.170 0.014 0.000 0.242 28 I C 3.139 179.222 176.117 -0.057 0.000 1.091 28 I CA 2.529 63.769 61.300 -0.100 0.000 1.368 28 I CB -1.397 36.541 38.000 -0.104 0.000 1.058 28 I HN 0.569 nan 8.210 nan 0.000 0.410 29 V N 0.741 120.629 119.914 -0.043 0.000 2.307 29 V HA -0.099 4.029 4.120 0.014 0.000 0.245 29 V C 2.800 178.879 176.094 -0.026 0.000 1.045 29 V CA 3.839 66.123 62.300 -0.027 0.000 1.024 29 V CB -1.518 30.294 31.823 -0.019 0.000 0.651 29 V HN 0.753 nan 8.190 nan 0.000 0.449 30 K N -0.110 120.272 120.400 -0.031 0.000 2.057 30 K HA 0.172 4.500 4.320 0.014 0.000 0.207 30 K C 2.354 178.938 176.600 -0.027 0.000 1.049 30 K CA 2.535 58.806 56.287 -0.027 0.000 0.931 30 K CB -1.654 30.829 32.500 -0.029 0.000 0.714 30 K HN 1.362 nan 8.250 nan 0.000 0.440 31 L N 0.148 121.350 121.223 -0.035 0.000 2.179 31 L HA 0.378 4.726 4.340 0.014 0.000 0.208 31 L C 2.912 179.766 176.870 -0.027 0.000 1.096 31 L CA 2.556 57.376 54.840 -0.034 0.000 0.779 31 L CB -1.700 40.332 42.059 -0.045 0.000 0.922 31 L HN 0.704 nan 8.230 nan 0.000 0.443 32 S N -1.326 114.358 115.700 -0.027 0.000 2.461 32 S HA 0.219 4.697 4.470 0.014 0.000 0.228 32 S C 0.906 175.499 174.600 -0.012 0.000 1.005 32 S CA 0.870 59.059 58.200 -0.018 0.000 0.942 32 S CB -0.091 63.099 63.200 -0.016 0.000 0.776 32 S HN 1.128 nan 8.310 nan 0.000 0.514 33 E N -0.761 119.431 120.200 -0.014 0.000 2.484 33 E HA 0.151 4.509 4.350 0.014 0.000 0.181 33 E C -0.080 176.516 176.600 -0.007 0.000 1.458 33 E CA 0.652 57.046 56.400 -0.010 0.000 0.667 33 E CB -2.662 27.034 29.700 -0.008 0.000 1.125 33 E HN 1.703 nan 8.360 nan 0.000 0.384 34 S N -1.131 114.565 115.700 -0.007 0.000 2.688 34 S HA 0.898 5.377 4.470 0.014 0.000 0.275 34 S C 0.353 174.952 174.600 -0.003 0.000 1.175 34 S CA -0.269 57.929 58.200 -0.003 0.000 0.818 34 S CB 1.193 64.392 63.200 -0.001 0.000 1.157 34 S HN 1.392 nan 8.310 nan 0.000 0.482 35 S N 0.215 115.916 115.700 0.000 0.000 2.565 35 S HA 0.574 5.052 4.470 0.014 0.000 0.276 35 S C 1.297 175.898 174.600 0.002 0.000 1.326 35 S CA 0.459 58.659 58.200 0.001 0.000 1.045 35 S CB -0.037 63.165 63.200 0.003 0.000 0.918 35 S HN 1.622 nan 8.310 nan 0.000 0.505 36 K N 2.178 122.578 120.400 0.001 0.000 2.025 36 K HA 0.068 4.396 4.320 0.014 0.000 0.207 36 K C 2.322 178.926 176.600 0.007 0.000 1.049 36 K CA 1.905 58.193 56.287 0.002 0.000 0.933 36 K CB -1.461 31.039 32.500 0.000 0.000 0.714 36 K HN 1.025 nan 8.250 nan 0.000 0.438 37 G N 0.678 109.483 108.800 0.008 0.000 2.422 37 G HA2 -0.218 3.750 3.960 0.014 0.000 0.218 37 G HA3 -0.218 3.750 3.960 0.014 0.000 0.218 37 G C 1.873 176.781 174.900 0.013 0.000 1.146 37 G CA 1.635 46.742 45.100 0.011 0.000 0.769 37 G HN 0.831 nan 8.290 nan 0.000 0.547 38 N N 0.164 118.871 118.700 0.011 0.000 2.069 38 N HA 0.053 4.802 4.740 0.014 0.000 0.196 38 N C 1.890 177.411 175.510 0.018 0.000 1.024 38 N CA 2.329 55.386 53.050 0.013 0.000 0.869 38 N CB -0.836 37.657 38.487 0.010 0.000 1.035 38 N HN 0.996 nan 8.380 nan 0.000 0.434 39 L N -0.950 120.284 121.223 0.019 0.000 2.865 39 L HA 0.711 5.059 4.340 0.014 0.000 0.233 39 L C 0.507 177.396 176.870 0.032 0.000 1.320 39 L CA -0.002 54.855 54.840 0.027 0.000 1.225 39 L CB -2.019 40.057 42.059 0.029 0.000 1.542 39 L HN 1.097 nan 8.230 nan 0.000 0.432 46 K N 0.550 121.043 120.400 0.155 0.000 2.057 46 K HA -0.088 4.240 4.320 0.014 0.000 0.206 46 K C 2.149 178.928 176.600 0.297 0.000 1.050 46 K CA 2.315 58.730 56.287 0.214 0.000 0.935 46 K CB -0.263 32.338 32.500 0.169 0.000 0.715 46 K HN 0.638 nan 8.250 nan 0.000 0.439 47 E N 0.152 120.499 120.200 0.246 0.000 2.153 47 E HA -0.203 4.156 4.350 0.014 0.000 0.194 47 E C 1.568 178.251 176.600 0.138 0.000 0.988 47 E CA 1.578 58.096 56.400 0.196 0.000 0.811 47 E CB -1.049 28.519 29.700 -0.219 0.000 0.746 47 E HN 0.495 nan 8.360 nan 0.000 0.466 48 N N 0.227 119.000 118.700 0.121 0.000 2.171 48 N HA -0.026 4.722 4.740 0.014 0.000 0.184 48 N C 1.744 177.295 175.510 0.069 0.000 1.021 48 N CA 1.253 54.352 53.050 0.082 0.000 0.854 48 N CB -0.450 38.086 38.487 0.082 0.000 0.994 48 N HN 0.358 nan 8.380 nan 0.000 0.426 49 L N -0.327 120.967 121.223 0.119 0.000 2.083 49 L HA 0.036 4.385 4.340 0.014 0.000 0.209 49 L C 1.955 178.884 176.870 0.098 0.000 1.083 49 L CA 1.469 56.386 54.840 0.128 0.000 0.752 49 L CB -0.960 41.221 42.059 0.202 0.000 0.899 49 L HN 0.221 nan 8.230 nan 0.000 0.433 50 F N -0.887 119.012 119.950 -0.084 0.000 2.060 50 F HA -0.219 4.314 4.527 0.011 0.000 0.295 50 F C 2.092 177.645 175.800 -0.411 0.000 1.120 50 F CA 1.394 59.170 58.000 -0.373 0.000 1.205 50 F CB -0.159 38.494 39.000 -0.577 0.000 0.986 50 F HN 0.053 nan 8.300 nan 0.000 0.470 51 L N 0.773 121.810 121.223 -0.310 0.000 2.189 51 L HA -0.224 4.125 4.340 0.014 0.000 0.214 51 L C 2.198 178.922 176.870 -0.245 0.000 1.097 51 L CA 1.669 56.314 54.840 -0.326 0.000 0.764 51 L CB -1.194 40.774 42.059 -0.152 0.000 0.900 51 L HN 0.222 nan 8.230 nan 0.000 0.436 52 E N 0.006 120.107 120.200 -0.166 0.000 2.031 52 E HA -0.177 4.182 4.350 0.014 0.000 0.193 52 E C 2.256 178.761 176.600 -0.158 0.000 0.994 52 E CA 1.374 57.706 56.400 -0.114 0.000 0.800 52 E CB -0.215 29.456 29.700 -0.048 0.000 0.752 52 E HN 0.433 nan 8.360 nan 0.000 0.447 53 I N 0.441 120.881 120.570 -0.218 0.000 2.264 53 I HA -0.277 3.901 4.170 0.014 0.000 0.248 53 I C 2.251 178.193 176.117 -0.292 0.000 1.111 53 I CA 0.888 62.052 61.300 -0.226 0.000 1.382 53 I CB -0.316 37.538 38.000 -0.243 0.000 1.060 53 I HN 0.196 nan 8.210 nan 0.000 0.418 54 L N 0.387 121.329 121.223 -0.468 0.000 2.046 54 L HA -0.245 4.103 4.340 0.014 0.000 0.208 54 L C 2.382 179.163 176.870 -0.147 0.000 1.077 54 L CA 1.576 56.196 54.840 -0.366 0.000 0.747 54 L CB -0.846 40.909 42.059 -0.507 0.000 0.896 54 L HN 0.353 nan 8.230 nan 0.000 0.432 55 N N 0.733 119.342 118.700 -0.151 0.000 2.058 55 N HA -0.202 4.546 4.740 0.014 0.000 0.191 55 N C 1.809 177.277 175.510 -0.070 0.000 1.037 55 N CA 1.416 54.412 53.050 -0.090 0.000 0.848 55 N CB -0.066 38.374 38.487 -0.079 0.000 1.021 55 N HN 0.077 nan 8.380 nan 0.000 0.422 56 I N 1.256 121.783 120.570 -0.073 0.000 2.087 56 I HA -0.257 3.921 4.170 0.014 0.000 0.240 56 I C 2.054 178.144 176.117 -0.045 0.000 1.054 56 I CA 1.549 62.816 61.300 -0.054 0.000 1.311 56 I CB -1.129 36.845 38.000 -0.042 0.000 1.024 56 I HN 0.359 nan 8.210 nan 0.000 0.402 57 E N 0.286 120.477 120.200 -0.014 0.000 2.077 57 E HA -0.251 4.107 4.350 0.014 0.000 0.193 57 E C 2.009 178.664 176.600 0.091 0.000 0.989 57 E CA 1.092 57.533 56.400 0.069 0.000 0.800 57 E CB -0.306 29.458 29.700 0.107 0.000 0.746 57 E HN 0.447 nan 8.360 nan 0.000 0.452 58 E N 0.915 121.144 120.200 0.048 0.000 2.153 58 E HA -0.095 4.263 4.350 0.014 0.000 0.194 58 E C 1.998 178.581 176.600 -0.028 0.000 0.988 58 E CA 1.180 57.526 56.400 -0.090 0.000 0.811 58 E CB -0.077 29.475 29.700 -0.247 0.000 0.746 58 E HN -0.010 nan 8.360 nan 0.000 0.466 59 S N 0.048 115.720 115.700 -0.048 0.000 2.357 59 S HA -0.046 4.432 4.470 0.014 0.000 0.221 59 S C 1.692 176.228 174.600 -0.106 0.000 1.031 59 S CA 0.932 59.093 58.200 -0.065 0.000 0.982 59 S CB -0.145 63.014 63.200 -0.067 0.000 0.853 59 S HN 0.254 nan 8.310 nan 0.000 0.458 60 K N 0.372 120.659 120.400 -0.188 0.000 2.152 60 K HA -0.160 4.168 4.320 0.014 0.000 0.206 60 K C 1.901 178.279 176.600 -0.369 0.000 1.048 60 K CA 1.148 57.160 56.287 -0.459 0.000 0.933 60 K CB -0.178 31.772 32.500 -0.916 0.000 0.721 60 K HN 0.626 nan 8.250 nan 0.000 0.447 61 W N 1.285 122.445 121.300 -0.233 0.000 2.444 61 W HA -0.216 4.452 4.660 0.013 0.000 0.308 61 W C 1.879 178.463 176.519 0.108 0.000 1.183 61 W CA 0.868 58.231 57.345 0.029 0.000 1.340 61 W CB -0.260 29.253 29.460 0.088 0.000 1.138 61 W HN -0.051 nan 8.180 nan 0.000 0.510 62 Q N 0.998 120.655 119.800 -0.239 0.000 2.226 62 Q HA -0.230 4.119 4.340 0.014 0.000 0.204 62 Q C 2.037 177.953 176.000 -0.139 0.000 0.975 62 Q CA 2.109 57.754 55.803 -0.263 0.000 0.866 62 Q CB -0.399 28.285 28.738 -0.091 0.000 0.915 62 Q HN 0.646 nan 8.270 nan 0.000 0.440 63 E N -0.513 119.612 120.200 -0.125 0.000 2.016 63 E HA -0.229 4.129 4.350 0.014 0.000 0.190 63 E C 2.233 178.774 176.600 -0.098 0.000 0.985 63 E CA 1.289 57.626 56.400 -0.105 0.000 0.802 63 E CB -0.207 29.429 29.700 -0.107 0.000 0.762 63 E HN 0.581 nan 8.360 nan 0.000 0.448 64 Q N 0.304 120.067 119.800 -0.060 0.000 2.152 64 Q HA -0.217 4.131 4.340 0.014 0.000 0.206 64 Q C 1.978 177.965 176.000 -0.021 0.000 0.985 64 Q CA 1.856 57.679 55.803 0.033 0.000 0.863 64 Q CB -0.405 28.482 28.738 0.249 0.000 0.904 64 Q HN 0.597 nan 8.270 nan 0.000 0.422 65 W N 0.978 122.027 121.300 -0.419 0.000 2.358 65 W HA -0.223 4.445 4.660 0.013 0.000 0.303 65 W C 1.741 178.130 176.519 -0.217 0.000 1.208 65 W CA 1.561 58.633 57.345 -0.455 0.000 1.274 65 W CB 0.009 29.016 29.460 -0.756 0.000 1.138 65 W HN -0.038 nan 8.180 nan 0.000 0.515 66 K N 0.797 120.943 120.400 -0.424 0.000 2.057 66 K HA -0.130 4.198 4.320 0.014 0.000 0.206 66 K C 1.625 178.019 176.600 -0.344 0.000 1.050 66 K CA 1.707 57.714 56.287 -0.467 0.000 0.935 66 K CB -0.686 31.663 32.500 -0.252 0.000 0.715 66 K HN 0.300 nan 8.250 nan 0.000 0.439 67 K N 0.546 120.818 120.400 -0.213 0.000 2.589 67 K HA 0.018 4.347 4.320 0.014 0.000 0.192 67 K C 1.184 177.704 176.600 -0.133 0.000 1.029 67 K CA 0.750 56.952 56.287 -0.141 0.000 1.031 67 K CB 0.102 32.560 32.500 -0.071 0.000 0.821 67 K HN 0.392 nan 8.250 nan 0.000 0.502 68 E N -0.262 119.812 120.200 -0.210 0.000 2.568 68 E HA -0.073 4.286 4.350 0.014 0.000 0.220 68 E C 1.476 177.903 176.600 -0.288 0.000 0.869 68 E CA -0.031 56.282 56.400 -0.145 0.000 1.268 68 E CB 0.579 30.293 29.700 0.023 0.000 1.252 68 E HN 0.315 nan 8.360 nan 0.000 0.606 69 Q N 0.870 120.256 119.800 -0.690 0.000 2.291 69 Q HA -0.082 4.266 4.340 0.014 0.000 0.205 69 Q C 2.196 177.964 176.000 -0.388 0.000 0.970 69 Q CA 1.385 56.657 55.803 -0.885 0.000 0.876 69 Q CB -0.819 26.948 28.738 -1.619 0.000 0.935 69 Q HN 0.253 nan 8.270 nan 0.000 0.455 70 I N 1.942 122.335 120.570 -0.294 0.000 2.315 70 I HA -0.249 3.929 4.170 0.014 0.000 0.251 70 I C 2.164 178.219 176.117 -0.104 0.000 1.125 70 I CA 2.209 63.407 61.300 -0.170 0.000 1.392 70 I CB -1.180 36.739 38.000 -0.136 0.000 1.065 70 I HN 0.278 nan 8.210 nan 0.000 0.424 71 K N 1.006 121.356 120.400 -0.084 0.000 2.589 71 K HA 0.383 4.711 4.320 0.014 0.000 0.192 71 K C 0.666 177.264 176.600 -0.003 0.000 1.029 71 K CA 0.762 57.031 56.287 -0.030 0.000 1.031 71 K CB -0.266 32.231 32.500 -0.005 0.000 0.821 71 K HN 0.727 nan 8.250 nan 0.000 0.502 72 A N 1.053 123.866 122.820 -0.010 0.000 2.285 72 A HA 0.455 4.784 4.320 0.014 0.000 0.310 72 A C 0.929 178.519 177.584 0.010 0.000 1.266 72 A CA -0.575 51.482 52.037 0.035 0.000 0.832 72 A CB 1.060 20.125 19.000 0.110 0.000 1.163 72 A HN 0.167 nan 8.150 nan 0.000 0.499 73 K N 1.275 121.679 120.400 0.007 0.000 2.031 73 K HA 0.128 4.457 4.320 0.014 0.000 0.205 73 K C 1.140 177.733 176.600 -0.012 0.000 1.049 73 K CA 2.019 58.300 56.287 -0.011 0.000 0.939 73 K CB -0.896 31.595 32.500 -0.015 0.000 0.717 73 K HN 1.152 nan 8.250 nan 0.000 0.438 74 T N -2.372 112.183 114.554 0.002 0.000 2.944 74 T HA 0.284 4.643 4.350 0.014 0.000 0.284 74 T C 0.622 175.344 174.700 0.037 0.000 1.010 74 T CA -0.471 61.621 62.100 -0.013 0.000 1.025 74 T CB 1.433 70.281 68.868 -0.033 0.000 1.079 74 T HN 0.227 nan 8.240 nan 0.000 0.516 75 N N 0.266 118.964 118.700 -0.003 0.000 2.270 75 N HA -0.100 4.648 4.740 0.014 0.000 0.181 75 N C 2.003 177.694 175.510 0.301 0.000 1.016 75 N CA 0.626 53.740 53.050 0.105 0.000 0.870 75 N CB -0.283 38.224 38.487 0.033 0.000 0.979 75 N HN 0.663 nan 8.380 nan 0.000 0.431 76 R N 1.725 122.358 120.500 0.223 0.000 2.119 76 R HA -0.165 4.184 4.340 0.014 0.000 0.246 76 R C 1.534 178.147 176.300 0.523 0.000 1.146 76 R CA 1.672 58.063 56.100 0.485 0.000 0.962 76 R CB 0.006 30.500 30.300 0.323 0.000 0.863 76 R HN 0.309 nan 8.270 nan 0.000 0.442 77 E N -0.062 120.323 120.200 0.308 0.000 2.107 77 E HA -0.125 4.233 4.350 0.014 0.000 0.191 77 E C 1.993 178.811 176.600 0.362 0.000 0.982 77 E CA 1.025 57.585 56.400 0.268 0.000 0.809 77 E CB 0.094 29.868 29.700 0.124 0.000 0.756 77 E HN 0.361 nan 8.360 nan 0.000 0.459 78 K N 0.435 121.049 120.400 0.358 0.000 2.032 78 K HA -0.179 4.150 4.320 0.014 0.000 0.209 78 K C 2.026 178.905 176.600 0.465 0.000 1.048 78 K CA 1.180 57.744 56.287 0.462 0.000 0.927 78 K CB -0.324 32.417 32.500 0.401 0.000 0.712 78 K HN 0.059 nan 8.250 nan 0.000 0.441 79 F N 1.305 121.398 119.950 0.238 0.000 2.025 79 F HA -0.307 4.228 4.527 0.014 0.000 0.297 79 F C 2.098 178.034 175.800 0.226 0.000 1.132 79 F CA 1.551 59.632 58.000 0.134 0.000 1.191 79 F CB -0.860 38.224 39.000 0.138 0.000 0.963 79 F HN 0.001 nan 8.300 nan 0.000 0.481 80 Y N -0.491 119.928 120.300 0.198 0.000 2.139 80 Y HA -0.303 4.255 4.550 0.014 0.000 0.282 80 Y C 2.336 178.278 175.900 0.070 0.000 1.179 80 Y CA 1.767 59.920 58.100 0.089 0.000 1.161 80 Y CB -0.763 37.799 38.460 0.170 0.000 0.970 80 Y HN 0.242 nan 8.280 nan 0.000 0.511 81 L N -1.056 120.368 121.223 0.334 0.000 2.023 81 L HA -0.189 4.159 4.340 0.014 0.000 0.205 81 L C 2.208 179.218 176.870 0.233 0.000 1.073 81 L CA 1.666 56.688 54.840 0.304 0.000 0.745 81 L CB -1.332 40.965 42.059 0.397 0.000 0.900 81 L HN 0.324 nan 8.230 nan 0.000 0.435 82 Y N 0.681 120.961 120.300 -0.034 0.000 2.139 82 Y HA -0.345 4.213 4.550 0.013 0.000 0.282 82 Y C 2.336 178.140 175.900 -0.161 0.000 1.179 82 Y CA 2.335 60.164 58.100 -0.451 0.000 1.161 82 Y CB -0.296 37.493 38.460 -1.118 0.000 0.970 82 Y HN 0.395 nan 8.280 nan 0.000 0.511 83 N N 0.423 119.091 118.700 -0.054 0.000 2.142 83 N HA -0.149 4.599 4.740 0.014 0.000 0.186 83 N C 1.728 177.152 175.510 -0.143 0.000 1.023 83 N CA 1.705 54.685 53.050 -0.117 0.000 0.852 83 N CB -0.468 37.918 38.487 -0.169 0.000 0.998 83 N HN 0.556 nan 8.380 nan 0.000 0.424 84 E N 0.230 120.405 120.200 -0.043 0.000 2.058 84 E HA -0.131 4.227 4.350 0.014 0.000 0.194 84 E C 1.586 178.156 176.600 -0.049 0.000 0.997 84 E CA 0.767 57.159 56.400 -0.013 0.000 0.801 84 E CB -0.041 29.705 29.700 0.076 0.000 0.746 84 E HN 0.081 nan 8.360 nan 0.000 0.450 85 L N 0.743 121.969 121.223 0.005 0.000 2.131 85 L HA -0.122 4.226 4.340 0.014 0.000 0.210 85 L C 2.259 179.027 176.870 -0.171 0.000 1.092 85 L CA 1.389 56.265 54.840 0.060 0.000 0.759 85 L CB -0.829 41.423 42.059 0.322 0.000 0.903 85 L HN -0.004 nan 8.230 nan 0.000 0.435 86 S N -0.547 114.899 115.700 -0.423 0.000 2.400 86 S HA -0.150 4.328 4.470 0.014 0.000 0.232 86 S C 1.975 176.087 174.600 -0.813 0.000 1.025 86 S CA 1.035 58.677 58.200 -0.930 0.000 0.993 86 S CB -0.231 62.346 63.200 -1.040 0.000 0.808 86 S HN 0.372 nan 8.310 nan 0.000 0.478 87 L N 0.870 121.818 121.223 -0.458 0.000 2.156 87 L HA -0.068 4.281 4.340 0.014 0.000 0.208 87 L C 2.740 179.484 176.870 -0.210 0.000 1.095 87 L CA 1.466 56.121 54.840 -0.308 0.000 0.770 87 L CB -0.714 41.233 42.059 -0.186 0.000 0.914 87 L HN 0.451 nan 8.230 nan 0.000 0.439 88 T N -5.163 109.293 114.554 -0.164 0.000 3.031 88 T HA 0.039 4.397 4.350 0.014 0.000 0.254 88 T C 1.007 175.659 174.700 -0.080 0.000 1.060 88 T CA 0.145 62.195 62.100 -0.083 0.000 1.135 88 T CB -0.644 68.210 68.868 -0.022 0.000 0.896 88 T HN 0.161 nan 8.240 nan 0.000 0.472 89 T N 3.670 118.165 114.554 -0.098 0.000 2.848 89 T HA -0.004 4.354 4.350 0.014 0.000 0.340 89 T C 1.078 175.689 174.700 -0.149 0.000 1.091 89 T CA 0.347 62.411 62.100 -0.060 0.000 1.123 89 T CB 0.382 69.189 68.868 -0.100 0.000 1.042 89 T HN 0.586 nan 8.240 nan 0.000 0.544 90 E N 0.013 120.045 120.200 -0.281 0.000 2.476 90 E HA 0.008 4.366 4.350 0.014 0.000 0.196 90 E C -0.748 175.610 176.600 -0.403 0.000 1.029 90 E CA -0.066 56.110 56.400 -0.373 0.000 0.896 90 E CB 0.071 29.502 29.700 -0.448 0.000 1.012 90 E HN 0.815 nan 8.360 nan 0.000 0.475 91 Y N -0.109 120.209 120.300 0.030 0.000 2.377 91 Y HA 0.269 4.827 4.550 0.013 0.000 0.339 91 Y C 0.484 176.378 175.900 -0.011 0.000 1.011 91 Y CA -0.923 57.213 58.100 0.060 0.000 1.093 91 Y CB 1.036 39.625 38.460 0.215 0.000 1.201 91 Y HN 0.026 nan 8.280 nan 0.000 0.455 92 Y N 0.895 121.171 120.300 -0.040 0.000 2.742 92 Y HA -0.580 3.977 4.550 0.013 0.000 0.485 92 Y C 1.144 176.799 175.900 -0.407 0.000 1.119 92 Y CA 2.097 60.026 58.100 -0.284 0.000 2.917 92 Y CB -1.543 36.676 38.460 -0.402 0.000 0.951 92 Y HN 0.665 nan 8.280 nan 0.000 0.562 93 Y N 0.492 120.584 120.300 -0.347 0.000 2.274 93 Y HA -0.085 4.474 4.550 0.015 0.000 0.290 93 Y C -0.628 175.021 175.900 -0.419 0.000 1.145 93 Y CA 1.691 59.525 58.100 -0.443 0.000 1.203 93 Y CB -1.632 36.588 38.460 -0.401 0.000 0.984 93 Y HN 0.282 nan 8.280 nan 0.000 0.533 94 P HA -0.079 nan 4.420 nan 0.000 0.239 94 P C 0.661 177.816 177.300 -0.242 0.000 1.184 94 P CA 1.317 64.273 63.100 -0.240 0.000 0.760 94 P CB 0.001 31.595 31.700 -0.177 0.000 0.884 95 L N -1.088 119.943 121.223 -0.320 0.000 2.769 95 L HA 0.125 4.474 4.340 0.014 0.000 0.240 95 L C 1.946 178.616 176.870 -0.333 0.000 1.163 95 L CA 0.017 54.680 54.840 -0.296 0.000 0.962 95 L CB -0.126 41.710 42.059 -0.372 0.000 1.258 95 L HN -0.105 nan 8.230 nan 0.000 0.513 96 Q N 0.157 119.736 119.800 -0.369 0.000 2.083 96 Q HA -0.090 4.258 4.340 0.014 0.000 0.198 96 Q C 1.639 177.524 176.000 -0.192 0.000 0.969 96 Q CA 1.168 56.768 55.803 -0.338 0.000 0.838 96 Q CB -0.117 28.416 28.738 -0.341 0.000 0.900 96 Q HN 0.526 nan 8.270 nan 0.000 0.436 97 N N 1.085 119.690 118.700 -0.157 0.000 2.104 97 N HA -0.136 4.613 4.740 0.014 0.000 0.190 97 N C 1.714 177.213 175.510 -0.017 0.000 1.024 97 N CA 1.404 54.413 53.050 -0.068 0.000 0.853 97 N CB -0.228 38.230 38.487 -0.048 0.000 1.008 97 N HN 0.225 nan 8.380 nan 0.000 0.424 98 A N 1.270 124.085 122.820 -0.008 0.000 1.933 98 A HA -0.073 4.255 4.320 0.014 0.000 0.218 98 A C 2.314 179.879 177.584 -0.033 0.000 1.175 98 A CA 0.909 52.974 52.037 0.046 0.000 0.628 98 A CB -0.605 18.490 19.000 0.159 0.000 0.814 98 A HN 0.220 nan 8.150 nan 0.000 0.444 99 I N -0.528 120.028 120.570 -0.023 0.000 2.315 99 I HA -0.213 3.965 4.170 0.014 0.000 0.248 99 I C 2.179 178.269 176.117 -0.046 0.000 1.117 99 I CA 0.977 62.226 61.300 -0.085 0.000 1.404 99 I CB -0.271 37.642 38.000 -0.146 0.000 1.071 99 I HN 0.290 nan 8.210 nan 0.000 0.419 100 I N 0.682 121.275 120.570 0.038 0.000 2.226 100 I HA -0.282 3.896 4.170 0.014 0.000 0.245 100 I C 2.454 178.634 176.117 0.105 0.000 1.100 100 I CA 1.537 62.917 61.300 0.133 0.000 1.374 100 I CB -0.400 37.671 38.000 0.118 0.000 1.057 100 I HN 0.239 nan 8.210 nan 0.000 0.413 101 E N 0.477 120.705 120.200 0.046 0.000 2.031 101 E HA -0.268 4.091 4.350 0.014 0.000 0.193 101 E C 2.141 178.709 176.600 -0.055 0.000 0.994 101 E CA 1.552 57.976 56.400 0.039 0.000 0.800 101 E CB -0.317 29.435 29.700 0.086 0.000 0.752 101 E HN 0.404 nan 8.360 nan 0.000 0.447 102 F N 0.671 120.355 119.950 -0.443 0.000 2.087 102 F HA -0.344 4.189 4.527 0.011 0.000 0.299 102 F C 2.060 177.631 175.800 -0.380 0.000 1.100 102 F CA 1.650 59.167 58.000 -0.804 0.000 1.226 102 F CB -0.191 38.133 39.000 -1.127 0.000 0.983 102 F HN 0.035 nan 8.300 nan 0.000 0.479 103 Y N 0.596 120.858 120.300 -0.063 0.000 2.181 103 Y HA -0.231 4.328 4.550 0.015 0.000 0.288 103 Y C 2.937 178.789 175.900 -0.080 0.000 1.146 103 Y CA 1.787 59.854 58.100 -0.055 0.000 1.164 103 Y CB -1.492 36.990 38.460 0.037 0.000 0.982 103 Y HN 0.243 nan 8.280 nan 0.000 0.515 104 T N -2.296 112.318 114.554 0.100 0.000 2.701 104 T HA -0.142 4.216 4.350 0.014 0.000 0.263 104 T C 1.793 176.497 174.700 0.006 0.000 1.040 104 T CA 1.534 63.665 62.100 0.051 0.000 1.147 104 T CB -0.884 68.017 68.868 0.055 0.000 0.865 104 T HN 0.339 nan 8.240 nan 0.000 0.426 105 E N -0.250 119.945 120.200 -0.010 0.000 2.438 105 E HA 0.392 4.750 4.350 0.014 0.000 0.192 105 E C 0.103 176.705 176.600 0.004 0.000 1.110 105 E CA -0.299 56.112 56.400 0.019 0.000 0.893 105 E CB -0.839 28.933 29.700 0.120 0.000 0.990 105 E HN 0.811 nan 8.360 nan 0.000 0.490 110 N N -0.555 118.167 118.700 0.036 0.000 2.271 110 N HA 0.404 5.152 4.740 0.014 0.000 0.267 110 N C 2.059 177.620 175.510 0.085 0.000 0.987 110 N CA 1.279 54.361 53.050 0.053 0.000 0.824 110 N CB -0.813 37.692 38.487 0.030 0.000 1.775 110 N HN 0.963 nan 8.380 nan 0.000 0.728 111 S N -0.347 115.409 115.700 0.093 0.000 2.474 111 S HA 0.345 4.823 4.470 0.014 0.000 0.235 111 S C 1.723 176.403 174.600 0.133 0.000 0.997 111 S CA 1.466 59.726 58.200 0.100 0.000 0.949 111 S CB -0.205 63.050 63.200 0.091 0.000 0.766 111 S HN 0.381 nan 8.310 nan 0.000 0.517 112 I N 1.048 121.733 120.570 0.191 0.000 3.194 112 I HA 0.109 4.287 4.170 0.014 0.000 0.271 112 I C 2.686 178.949 176.117 0.242 0.000 1.150 112 I CA 0.949 62.387 61.300 0.230 0.000 1.440 112 I CB -0.874 37.322 38.000 0.327 0.000 1.276 112 I HN 0.348 nan 8.210 nan 0.000 0.457 113 N N 0.698 119.550 118.700 0.253 0.000 2.223 113 N HA -0.158 4.590 4.740 0.014 0.000 0.185 113 N C 1.781 177.412 175.510 0.202 0.000 1.016 113 N CA 1.814 55.019 53.050 0.258 0.000 0.863 113 N CB -0.883 37.727 38.487 0.205 0.000 0.983 113 N HN 0.542 nan 8.380 nan 0.000 0.429 114 E N -0.337 119.950 120.200 0.144 0.000 2.250 114 E HA 0.188 4.547 4.350 0.014 0.000 0.192 114 E C 2.326 178.990 176.600 0.106 0.000 0.986 114 E CA 1.281 57.745 56.400 0.108 0.000 0.849 114 E CB -1.069 28.677 29.700 0.077 0.000 0.797 114 E HN 0.940 nan 8.360 nan 0.000 0.482 115 K N 0.146 120.614 120.400 0.114 0.000 2.097 115 K HA 0.036 4.364 4.320 0.014 0.000 0.205 115 K C 2.393 179.050 176.600 0.095 0.000 1.050 115 K CA 2.027 58.371 56.287 0.094 0.000 0.938 115 K CB -0.988 31.567 32.500 0.092 0.000 0.718 115 K HN 0.946 nan 8.250 nan 0.000 0.442 116 M N -0.996 118.683 119.600 0.132 0.000 2.581 116 M HA 0.270 4.758 4.480 0.014 0.000 0.224 116 M C 1.445 177.840 176.300 0.158 0.000 1.171 116 M CA 0.756 56.132 55.300 0.127 0.000 0.993 116 M CB -1.843 30.842 32.600 0.141 0.000 1.685 116 M HN 0.620 nan 8.290 nan 0.000 0.479 117 N N 0.473 119.253 118.700 0.134 0.000 2.424 117 N HA 0.162 4.910 4.740 0.014 0.000 0.178 117 N C 1.956 177.516 175.510 0.084 0.000 1.060 117 N CA 1.050 54.169 53.050 0.115 0.000 0.901 117 N CB -0.423 38.119 38.487 0.091 0.000 0.979 117 N HN 0.891 nan 8.380 nan 0.000 0.451 118 K N 0.396 120.837 120.400 0.069 0.000 2.288 118 K HA 0.305 4.633 4.320 0.014 0.000 0.201 118 K C 1.954 178.582 176.600 0.047 0.000 1.048 118 K CA 0.898 57.214 56.287 0.048 0.000 0.956 118 K CB -0.696 31.826 32.500 0.036 0.000 0.746 118 K HN 0.543 nan 8.250 nan 0.000 0.461 119 L N -0.090 121.167 121.223 0.057 0.000 2.131 119 L HA -0.123 4.226 4.340 0.014 0.000 0.206 119 L C 3.256 180.183 176.870 0.095 0.000 1.087 119 L CA 1.604 56.473 54.840 0.049 0.000 0.767 119 L CB -0.241 41.839 42.059 0.034 0.000 0.917 119 L HN 0.546 nan 8.230 nan 0.000 0.441 120 Q N -0.186 119.697 119.800 0.139 0.000 2.046 120 Q HA -0.247 4.101 4.340 0.014 0.000 0.200 120 Q C 1.840 177.936 176.000 0.159 0.000 0.975 120 Q CA 1.919 57.842 55.803 0.200 0.000 0.836 120 Q CB -1.090 27.759 28.738 0.185 0.000 0.896 120 Q HN 0.595 nan 8.270 nan 0.000 0.428 121 N N 0.286 119.041 118.700 0.091 0.000 2.223 121 N HA -0.114 4.634 4.740 0.014 0.000 0.185 121 N C 1.749 177.288 175.510 0.048 0.000 1.016 121 N CA 1.531 54.609 53.050 0.048 0.000 0.863 121 N CB -0.102 38.396 38.487 0.019 0.000 0.983 121 N HN 0.636 nan 8.380 nan 0.000 0.429 122 K N 0.012 120.448 120.400 0.060 0.000 2.026 122 K HA -0.157 4.171 4.320 0.014 0.000 0.208 122 K C 1.975 178.635 176.600 0.099 0.000 1.048 122 K CA 0.947 57.265 56.287 0.052 0.000 0.929 122 K CB -0.306 32.208 32.500 0.023 0.000 0.713 122 K HN 0.150 nan 8.250 nan 0.000 0.439 123 Y N 1.674 121.959 120.300 -0.024 0.000 2.181 123 Y HA -0.250 4.309 4.550 0.014 0.000 0.288 123 Y C 2.247 178.231 175.900 0.141 0.000 1.146 123 Y CA 1.331 59.436 58.100 0.009 0.000 1.164 123 Y CB -0.692 37.747 38.460 -0.035 0.000 0.982 123 Y HN -0.001 nan 8.280 nan 0.000 0.515 124 I N -0.559 119.981 120.570 -0.049 0.000 2.546 124 I HA -0.151 4.027 4.170 0.014 0.000 0.255 124 I C 1.987 178.140 176.117 0.059 0.000 1.163 124 I CA 2.239 63.496 61.300 -0.071 0.000 1.457 124 I CB -1.405 36.577 38.000 -0.029 0.000 1.092 124 I HN 0.306 nan 8.210 nan 0.000 0.434 125 D N 0.443 120.872 120.400 0.048 0.000 2.218 125 D HA -0.022 4.626 4.640 0.014 0.000 0.204 125 D C 2.304 178.646 176.300 0.070 0.000 0.976 125 D CA 1.499 55.549 54.000 0.084 0.000 0.853 125 D CB -0.012 40.821 40.800 0.055 0.000 0.939 125 D HN 0.576 nan 8.370 nan 0.000 0.481 126 A N -0.491 122.293 122.820 -0.058 0.000 1.892 126 A HA -0.230 4.098 4.320 0.014 0.000 0.218 126 A C 1.920 179.271 177.584 -0.388 0.000 1.188 126 A CA 1.427 53.288 52.037 -0.293 0.000 0.631 126 A CB -1.160 17.428 19.000 -0.688 0.000 0.822 126 A HN 0.416 nan 8.150 nan 0.000 0.447 127 Y N -1.689 118.456 120.300 -0.258 0.000 2.314 127 Y HA -0.117 4.441 4.550 0.013 0.000 0.293 127 Y C 2.439 178.389 175.900 0.083 0.000 1.129 127 Y CA 1.463 59.465 58.100 -0.164 0.000 1.201 127 Y CB -0.554 37.926 38.460 0.033 0.000 0.999 127 Y HN 0.595 nan 8.280 nan 0.000 0.541 128 H N -0.249 118.946 119.070 0.209 0.000 2.321 128 H HA -0.151 4.414 4.556 0.014 0.000 0.300 128 H C 2.107 177.533 175.328 0.163 0.000 1.087 128 H CA 1.991 58.165 56.048 0.209 0.000 1.319 128 H CB -0.376 29.462 29.762 0.127 0.000 1.379 128 H HN 0.063 nan 8.280 nan 0.000 0.501 129 V N 0.775 120.757 119.914 0.114 0.000 2.214 129 V HA -0.300 3.828 4.120 0.014 0.000 0.245 129 V C 2.635 178.753 176.094 0.040 0.000 1.047 129 V CA 2.209 64.538 62.300 0.049 0.000 0.998 129 V CB -0.746 31.117 31.823 0.067 0.000 0.633 129 V HN 0.452 nan 8.190 nan 0.000 0.446 130 I N -0.832 119.737 120.570 -0.000 0.000 2.181 130 I HA -0.336 3.842 4.170 0.014 0.000 0.247 130 I C 2.339 178.512 176.117 0.094 0.000 1.081 130 I CA 2.049 63.338 61.300 -0.018 0.000 1.340 130 I CB -0.448 37.424 38.000 -0.213 0.000 1.036 130 I HN 0.243 nan 8.210 nan 0.000 0.417 131 F N 0.540 120.608 119.950 0.196 0.000 2.187 131 F HA -0.094 4.441 4.527 0.013 0.000 0.295 131 F C 2.527 178.464 175.800 0.227 0.000 1.091 131 F CA 1.207 59.333 58.000 0.209 0.000 1.308 131 F CB -0.649 38.340 39.000 -0.019 0.000 1.030 131 F HN -0.103 nan 8.300 nan 0.000 0.487 132 K N 0.353 120.858 120.400 0.174 0.000 2.057 132 K HA -0.211 4.117 4.320 0.014 0.000 0.207 132 K C 2.060 178.718 176.600 0.097 0.000 1.049 132 K CA 1.519 57.837 56.287 0.052 0.000 0.931 132 K CB -0.083 32.329 32.500 -0.146 0.000 0.714 132 K HN 0.011 nan 8.250 nan 0.000 0.440 133 E N -0.358 119.896 120.200 0.091 0.000 2.058 133 E HA -0.120 4.238 4.350 0.014 0.000 0.194 133 E C 1.779 178.388 176.600 0.015 0.000 0.997 133 E CA 1.681 58.109 56.400 0.046 0.000 0.801 133 E CB -0.475 29.248 29.700 0.038 0.000 0.746 133 E HN 0.478 nan 8.360 nan 0.000 0.450 134 G N 0.222 109.073 108.800 0.085 0.000 2.432 134 G HA2 -0.273 3.695 3.960 0.014 0.000 0.219 134 G HA3 -0.273 3.695 3.960 0.014 0.000 0.219 134 G C 1.508 176.237 174.900 -0.284 0.000 1.135 134 G CA 0.786 45.713 45.100 -0.288 0.000 0.767 134 G HN 0.173 nan 8.290 nan 0.000 0.550 135 N N 0.439 119.210 118.700 0.118 0.000 2.142 135 N HA -0.060 4.688 4.740 0.014 0.000 0.186 135 N C 2.599 178.111 175.510 0.004 0.000 1.023 135 N CA 1.483 54.597 53.050 0.106 0.000 0.852 135 N CB -0.789 37.801 38.487 0.172 0.000 0.998 135 N HN 0.317 nan 8.380 nan 0.000 0.424 136 L N 0.662 121.882 121.223 -0.005 0.000 2.017 136 L HA -0.034 4.314 4.340 0.014 0.000 0.208 136 L C 2.189 179.022 176.870 -0.062 0.000 1.073 136 L CA 2.346 57.172 54.840 -0.025 0.000 0.745 136 L CB -1.796 40.252 42.059 -0.017 0.000 0.894 136 L HN 0.209 nan 8.230 nan 0.000 0.432 137 N N 0.098 118.734 118.700 -0.106 0.000 2.550 137 N HA 0.089 4.838 4.740 0.014 0.000 0.186 137 N C 1.362 176.770 175.510 -0.169 0.000 1.110 137 N CA 0.965 53.930 53.050 -0.141 0.000 0.912 137 N CB -0.251 38.126 38.487 -0.182 0.000 0.968 137 N HN 0.933 nan 8.380 nan 0.000 0.448 138 G N 0.455 109.151 108.800 -0.173 0.000 2.198 138 G HA2 -0.292 3.676 3.960 0.014 0.000 0.260 138 G HA3 -0.292 3.676 3.960 0.014 0.000 0.260 138 G C 0.653 175.428 174.900 -0.209 0.000 1.025 138 G CA 0.583 45.596 45.100 -0.145 0.000 0.769 138 G HN 0.562 nan 8.290 nan 0.000 0.507 139 E N -1.899 118.042 120.200 -0.433 0.000 2.299 139 E HA 0.198 4.556 4.350 0.014 0.000 0.193 139 E C 0.983 177.418 176.600 -0.275 0.000 0.998 139 E CA 1.135 57.227 56.400 -0.513 0.000 0.851 139 E CB 0.153 29.259 29.700 -0.991 0.000 0.795 139 E HN 0.881 nan 8.360 nan 0.000 0.492 140 W N -1.593 119.722 121.300 0.024 0.000 2.895 140 W HA 0.527 5.196 4.660 0.014 0.000 0.377 140 W C -1.168 175.352 176.519 0.002 0.000 1.191 140 W CA -1.163 56.189 57.345 0.011 0.000 1.179 140 W CB 0.584 30.055 29.460 0.019 0.000 1.469 140 W HN -0.395 nan 8.180 nan 0.000 0.577 141 S N 1.494 117.392 115.700 0.329 0.000 2.756 141 S HA 0.650 5.128 4.470 0.014 0.000 0.303 141 S C -1.456 173.205 174.600 0.102 0.000 1.135 141 S CA -0.541 57.777 58.200 0.198 0.000 1.066 141 S CB -0.121 63.136 63.200 0.096 0.000 1.008 141 S HN 0.359 nan 8.310 nan 0.000 0.482 142 I N 5.474 126.098 120.570 0.089 0.000 2.390 142 I HA 0.289 4.467 4.170 0.014 0.000 0.283 142 I C 0.728 176.832 176.117 -0.021 0.000 1.016 142 I CA -0.803 60.464 61.300 -0.056 0.000 1.151 142 I CB 0.668 38.551 38.000 -0.195 0.000 1.293 142 I HN 0.646 nan 8.210 nan 0.000 0.458 143 N N 4.212 122.893 118.700 -0.033 0.000 2.250 143 N HA -0.147 4.601 4.740 0.014 0.000 0.181 143 N C 0.227 175.724 175.510 -0.021 0.000 1.017 143 N CA 0.686 53.727 53.050 -0.015 0.000 0.866 143 N CB -0.205 38.273 38.487 -0.015 0.000 0.985 143 N HN 0.531 nan 8.380 nan 0.000 0.429 144 D N 0.360 120.727 120.400 -0.055 0.000 3.110 144 D HA 0.148 4.796 4.640 0.014 0.000 0.254 144 D C 0.808 177.063 176.300 -0.074 0.000 1.283 144 D CA -0.580 53.388 54.000 -0.053 0.000 0.944 144 D CB 0.167 40.927 40.800 -0.067 0.000 1.066 144 D HN -0.023 nan 8.370 nan 0.000 0.496 145 V N 0.848 120.742 119.914 -0.034 0.000 2.252 145 V HA -0.354 3.774 4.120 0.014 0.000 0.249 145 V C 2.223 178.345 176.094 0.048 0.000 1.056 145 V CA 1.960 64.244 62.300 -0.026 0.000 1.022 145 V CB -0.676 31.183 31.823 0.060 0.000 0.641 145 V HN 0.362 nan 8.190 nan 0.000 0.445 146 N N -0.277 118.496 118.700 0.123 0.000 2.166 146 N HA -0.127 4.621 4.740 0.014 0.000 0.186 146 N C 1.726 177.251 175.510 0.026 0.000 1.019 146 N CA 1.515 54.628 53.050 0.105 0.000 0.856 146 N CB -0.372 38.144 38.487 0.049 0.000 0.993 146 N HN 0.489 nan 8.380 nan 0.000 0.426 147 A N -0.094 122.720 122.820 -0.011 0.000 1.845 147 A HA -0.094 4.235 4.320 0.014 0.000 0.215 147 A C 2.376 179.931 177.584 -0.049 0.000 1.195 147 A CA 1.579 53.599 52.037 -0.029 0.000 0.616 147 A CB -1.039 17.936 19.000 -0.041 0.000 0.832 147 A HN 0.112 nan 8.150 nan 0.000 0.443 148 V N 0.354 120.197 119.914 -0.119 0.000 2.324 148 V HA -0.282 3.847 4.120 0.014 0.000 0.250 148 V C 2.824 178.830 176.094 -0.147 0.000 1.060 148 V CA 2.440 64.621 62.300 -0.197 0.000 1.042 148 V CB -0.928 30.568 31.823 -0.544 0.000 0.650 148 V HN 0.583 nan 8.190 nan 0.000 0.450 149 S N -0.625 115.042 115.700 -0.054 0.000 2.359 149 S HA -0.244 4.234 4.470 0.014 0.000 0.224 149 S C 1.990 176.539 174.600 -0.085 0.000 1.035 149 S CA 1.707 59.968 58.200 0.100 0.000 1.018 149 S CB -0.299 63.051 63.200 0.251 0.000 0.876 149 S HN 0.596 nan 8.310 nan 0.000 0.448 150 K N 0.666 121.036 120.400 -0.050 0.000 2.057 150 K HA -0.016 4.312 4.320 0.014 0.000 0.207 150 K C 2.004 178.558 176.600 -0.076 0.000 1.049 150 K CA 1.258 57.508 56.287 -0.061 0.000 0.931 150 K CB -0.352 32.139 32.500 -0.016 0.000 0.714 150 K HN 0.318 nan 8.250 nan 0.000 0.440 151 I N 0.895 121.442 120.570 -0.039 0.000 2.142 151 I HA -0.295 3.883 4.170 0.014 0.000 0.240 151 I C 2.512 178.569 176.117 -0.100 0.000 1.078 151 I CA 1.197 62.503 61.300 0.011 0.000 1.343 151 I CB -0.449 37.636 38.000 0.143 0.000 1.046 151 I HN 0.149 nan 8.210 nan 0.000 0.405 152 A N 0.946 123.615 122.820 -0.252 0.000 1.859 152 A HA -0.282 4.046 4.320 0.014 0.000 0.217 152 A C 2.568 179.779 177.584 -0.622 0.000 1.198 152 A CA 2.470 54.187 52.037 -0.534 0.000 0.629 152 A CB -1.245 17.474 19.000 -0.469 0.000 0.830 152 A HN 0.445 nan 8.150 nan 0.000 0.446 153 A N 0.031 122.341 122.820 -0.850 0.000 1.869 153 A HA -0.286 4.043 4.320 0.014 0.000 0.218 153 A C 2.007 179.558 177.584 -0.054 0.000 1.203 153 A CA 2.130 53.814 52.037 -0.588 0.000 0.638 153 A CB -0.820 17.776 19.000 -0.673 0.000 0.831 153 A HN 0.614 nan 8.150 nan 0.000 0.450 154 N N 0.073 118.759 118.700 -0.023 0.000 2.142 154 N HA -0.086 4.663 4.740 0.014 0.000 0.186 154 N C 2.007 177.545 175.510 0.046 0.000 1.023 154 N CA 1.506 54.617 53.050 0.101 0.000 0.852 154 N CB -0.688 37.851 38.487 0.087 0.000 0.998 154 N HN 0.479 nan 8.380 nan 0.000 0.424 155 A N 1.239 124.031 122.820 -0.046 0.000 1.884 155 A HA -0.157 4.171 4.320 0.014 0.000 0.219 155 A C 2.582 179.994 177.584 -0.287 0.000 1.197 155 A CA 1.876 53.823 52.037 -0.150 0.000 0.637 155 A CB -1.010 17.890 19.000 -0.166 0.000 0.827 155 A HN 0.115 nan 8.150 nan 0.000 0.450 156 V N 0.811 120.557 119.914 -0.279 0.000 2.261 156 V HA -0.263 3.866 4.120 0.014 0.000 0.246 156 V C 2.493 178.538 176.094 -0.082 0.000 1.047 156 V CA 2.239 64.391 62.300 -0.247 0.000 1.015 156 V CB -1.114 30.694 31.823 -0.025 0.000 0.642 156 V HN 0.706 nan 8.190 nan 0.000 0.446 157 N N 0.998 119.779 118.700 0.135 0.000 2.132 157 N HA -0.165 4.583 4.740 0.014 0.000 0.191 157 N C 1.820 177.318 175.510 -0.019 0.000 1.015 157 N CA 1.863 55.022 53.050 0.182 0.000 0.864 157 N CB -0.634 38.030 38.487 0.294 0.000 1.006 157 N HN 0.476 nan 8.380 nan 0.000 0.430 158 G N 0.674 109.494 108.800 0.032 0.000 2.433 158 G HA2 -0.171 3.798 3.960 0.014 0.000 0.216 158 G HA3 -0.171 3.798 3.960 0.014 0.000 0.216 158 G C 1.728 176.680 174.900 0.086 0.000 1.186 158 G CA 0.792 45.996 45.100 0.173 0.000 0.779 158 G HN 0.392 nan 8.290 nan 0.000 0.543 159 I N 0.494 121.022 120.570 -0.070 0.000 2.315 159 I HA -0.137 4.041 4.170 0.014 0.000 0.248 159 I C 2.726 178.772 176.117 -0.118 0.000 1.117 159 I CA 0.354 61.594 61.300 -0.099 0.000 1.404 159 I CB -0.157 37.712 38.000 -0.218 0.000 1.071 159 I HN 0.034 nan 8.210 nan 0.000 0.419 160 V N 0.295 120.095 119.914 -0.190 0.000 2.307 160 V HA -0.247 3.882 4.120 0.014 0.000 0.245 160 V C 2.418 178.390 176.094 -0.204 0.000 1.045 160 V CA 2.433 64.587 62.300 -0.243 0.000 1.024 160 V CB -0.897 30.681 31.823 -0.407 0.000 0.651 160 V HN 0.434 nan 8.190 nan 0.000 0.449 161 T N -0.118 114.256 114.554 -0.301 0.000 2.852 161 T HA 0.028 4.386 4.350 0.014 0.000 0.256 161 T C 1.167 175.624 174.700 -0.405 0.000 1.038 161 T CA 1.104 62.927 62.100 -0.462 0.000 1.141 161 T CB -0.262 68.130 68.868 -0.793 0.000 0.869 161 T HN 0.373 nan 8.240 nan 0.000 0.439 162 F N 2.227 122.171 119.950 -0.010 0.000 2.663 162 F HA 0.262 4.797 4.527 0.014 0.000 0.299 162 F C 1.637 177.437 175.800 0.000 0.000 1.143 162 F CA -0.195 57.805 58.000 -0.001 0.000 1.387 162 F CB -0.570 38.424 39.000 -0.009 0.000 1.019 162 F HN 0.160 nan 8.300 nan 0.000 0.523 163 T N -4.977 109.637 114.554 0.101 0.000 3.399 163 T HA 0.032 4.390 4.350 0.014 0.000 0.305 163 T C 0.531 175.256 174.700 0.042 0.000 0.983 163 T CA -0.160 61.978 62.100 0.062 0.000 0.967 163 T CB -0.855 68.032 68.868 0.030 0.000 1.186 163 T HN 0.356 nan 8.240 nan 0.000 0.504 164 H N 1.775 120.820 119.070 -0.041 0.000 3.319 164 H HA 0.458 5.023 4.556 0.014 0.000 0.213 164 H C 0.276 175.586 175.328 -0.031 0.000 1.782 164 H CA 1.239 57.254 56.048 -0.055 0.000 1.339 164 H CB -0.540 29.173 29.762 -0.081 0.000 1.651 164 H HN 0.771 nan 8.280 nan 0.000 0.622 165 E N 2.389 122.499 120.200 -0.149 0.000 3.451 165 E HA 0.180 4.538 4.350 0.014 0.000 0.263 165 E C -0.850 175.698 176.600 -0.088 0.000 1.087 165 E CA -0.435 55.885 56.400 -0.133 0.000 1.287 165 E CB 0.019 29.693 29.700 -0.044 0.000 1.227 165 E HN 0.787 nan 8.360 nan 0.000 0.390 166 Q N -0.660 119.077 119.800 -0.105 0.000 2.666 166 Q HA 0.337 4.686 4.340 0.014 0.000 0.276 166 Q C -0.591 175.369 176.000 -0.067 0.000 0.952 166 Q CA -1.143 54.621 55.803 -0.065 0.000 0.850 166 Q CB 0.521 29.239 28.738 -0.034 0.000 1.512 166 Q HN 0.129 nan 8.270 nan 0.000 0.395 167 N N 1.214 119.886 118.700 -0.047 0.000 1.916 167 N HA -0.173 4.576 4.740 0.014 0.000 0.307 167 N C 0.288 175.776 175.510 -0.037 0.000 1.322 167 N CA 0.346 53.374 53.050 -0.037 0.000 0.808 167 N CB 0.455 38.929 38.487 -0.021 0.000 1.056 167 N HN 0.740 nan 8.380 nan 0.000 0.499 168 I N 4.612 125.157 120.570 -0.042 0.000 2.454 168 I HA -0.201 3.977 4.170 0.014 0.000 0.254 168 I C 1.954 178.057 176.117 -0.022 0.000 1.156 168 I CA 1.230 62.507 61.300 -0.039 0.000 1.433 168 I CB -0.333 37.643 38.000 -0.039 0.000 1.082 168 I HN 0.643 nan 8.210 nan 0.000 0.432 169 N N 0.318 119.010 118.700 -0.013 0.000 2.354 169 N HA -0.112 4.637 4.740 0.014 0.000 0.179 169 N C 1.893 177.406 175.510 0.005 0.000 1.021 169 N CA 1.357 54.407 53.050 -0.001 0.000 0.887 169 N CB -0.077 38.412 38.487 0.003 0.000 0.974 169 N HN 0.498 nan 8.380 nan 0.000 0.437 170 E N 0.991 121.191 120.200 0.001 0.000 2.028 170 E HA -0.123 4.235 4.350 0.014 0.000 0.191 170 E C 2.039 178.644 176.600 0.008 0.000 0.988 170 E CA 1.376 57.780 56.400 0.007 0.000 0.799 170 E CB -0.761 28.940 29.700 0.002 0.000 0.755 170 E HN 0.464 nan 8.360 nan 0.000 0.447 171 R N -0.359 120.137 120.500 -0.007 0.000 2.119 171 R HA -0.077 4.272 4.340 0.014 0.000 0.246 171 R C 2.560 178.854 176.300 -0.009 0.000 1.146 171 R CA 1.801 57.892 56.100 -0.015 0.000 0.962 171 R CB -0.614 29.665 30.300 -0.035 0.000 0.863 171 R HN 0.478 nan 8.270 nan 0.000 0.442 172 I N 0.742 121.310 120.570 -0.003 0.000 2.361 172 I HA -0.261 3.917 4.170 0.014 0.000 0.251 172 I C 2.956 179.100 176.117 0.044 0.000 1.133 172 I CA 1.623 62.931 61.300 0.013 0.000 1.413 172 I CB -0.420 37.590 38.000 0.017 0.000 1.073 172 I HN 0.295 nan 8.210 nan 0.000 0.424 173 K N 1.232 121.659 120.400 0.044 0.000 2.025 173 K HA -0.078 4.251 4.320 0.014 0.000 0.207 173 K C 1.859 178.505 176.600 0.077 0.000 1.049 173 K CA 1.179 57.504 56.287 0.064 0.000 0.933 173 K CB -1.232 31.299 32.500 0.051 0.000 0.714 173 K HN 0.274 nan 8.250 nan 0.000 0.438 174 L N -0.601 120.658 121.223 0.060 0.000 2.012 174 L HA -0.204 4.144 4.340 0.014 0.000 0.210 174 L C 2.953 179.884 176.870 0.101 0.000 1.073 174 L CA 1.864 56.748 54.840 0.073 0.000 0.748 174 L CB -0.397 41.688 42.059 0.044 0.000 0.891 174 L HN 0.451 nan 8.230 nan 0.000 0.431 175 M N 0.167 119.806 119.600 0.064 0.000 2.149 175 M HA -0.199 4.290 4.480 0.014 0.000 0.261 175 M C 1.899 178.275 176.300 0.125 0.000 1.064 175 M CA 1.752 57.093 55.300 0.068 0.000 1.102 175 M CB -0.563 32.031 32.600 -0.011 0.000 1.369 175 M HN 0.162 nan 8.290 nan 0.000 0.408 176 N N -0.087 118.686 118.700 0.123 0.000 2.171 176 N HA -0.137 4.611 4.740 0.014 0.000 0.184 176 N C 1.654 177.257 175.510 0.155 0.000 1.021 176 N CA 1.140 54.290 53.050 0.167 0.000 0.854 176 N CB -0.425 38.211 38.487 0.248 0.000 0.994 176 N HN 0.284 nan 8.380 nan 0.000 0.426 177 K N 0.900 121.394 120.400 0.156 0.000 2.147 177 K HA -0.062 4.266 4.320 0.014 0.000 0.205 177 K C 1.803 178.487 176.600 0.139 0.000 1.049 177 K CA 0.660 57.033 56.287 0.144 0.000 0.936 177 K CB -0.586 31.991 32.500 0.129 0.000 0.722 177 K HN 0.123 nan 8.250 nan 0.000 0.446 178 F N 0.622 120.592 119.950 0.035 0.000 2.060 178 F HA -0.143 4.393 4.527 0.014 0.000 0.295 178 F C 1.956 177.795 175.800 0.064 0.000 1.120 178 F CA 1.981 60.010 58.000 0.048 0.000 1.205 178 F CB -0.819 38.186 39.000 0.008 0.000 0.986 178 F HN 0.006 nan 8.300 nan 0.000 0.470 179 S N 0.331 115.893 115.700 -0.230 0.000 2.374 179 S HA -0.336 4.142 4.470 0.014 0.000 0.227 179 S C 1.983 176.407 174.600 -0.292 0.000 1.037 179 S CA 1.565 59.529 58.200 -0.393 0.000 1.024 179 S CB -0.692 62.038 63.200 -0.783 0.000 0.861 179 S HN 0.626 nan 8.310 nan 0.000 0.456 180 Q N 0.766 120.424 119.800 -0.236 0.000 1.975 180 Q HA -0.164 4.184 4.340 0.014 0.000 0.205 180 Q C 2.133 178.153 176.000 0.034 0.000 0.990 180 Q CA 1.815 57.660 55.803 0.070 0.000 0.845 180 Q CB -0.330 28.527 28.738 0.199 0.000 0.913 180 Q HN 0.533 nan 8.270 nan 0.000 0.420 181 I N 0.115 120.673 120.570 -0.020 0.000 2.151 181 I HA -0.291 3.887 4.170 0.014 0.000 0.243 181 I C 2.254 178.320 176.117 -0.084 0.000 1.080 181 I CA 1.324 62.605 61.300 -0.033 0.000 1.339 181 I CB -0.390 37.604 38.000 -0.010 0.000 1.039 181 I HN 0.272 nan 8.210 nan 0.000 0.409 182 F N 1.313 121.051 119.950 -0.354 0.000 2.069 182 F HA -0.243 4.292 4.527 0.014 0.000 0.298 182 F C 2.306 177.965 175.800 -0.235 0.000 1.113 182 F CA 1.780 59.577 58.000 -0.339 0.000 1.214 182 F CB -0.272 38.440 39.000 -0.480 0.000 0.978 182 F HN -0.121 nan 8.300 nan 0.000 0.474 183 L N -0.111 121.114 121.223 0.003 0.000 2.046 183 L HA -0.266 4.082 4.340 0.014 0.000 0.208 183 L C 2.205 179.055 176.870 -0.034 0.000 1.077 183 L CA 1.674 56.483 54.840 -0.053 0.000 0.747 183 L CB -0.968 41.169 42.059 0.130 0.000 0.896 183 L HN 0.233 nan 8.230 nan 0.000 0.432 184 N N 0.751 119.450 118.700 -0.001 0.000 2.205 184 N HA -0.144 4.604 4.740 0.014 0.000 0.186 184 N C 1.682 177.154 175.510 -0.064 0.000 1.015 184 N CA 1.483 54.535 53.050 0.005 0.000 0.862 184 N CB -0.191 38.310 38.487 0.023 0.000 0.986 184 N HN 0.249 nan 8.380 nan 0.000 0.429 185 G N -0.714 107.992 108.800 -0.157 0.000 2.813 185 G HA2 0.032 4.000 3.960 0.014 0.000 0.209 185 G HA3 0.032 4.000 3.960 0.014 0.000 0.209 185 G C 1.352 176.094 174.900 -0.263 0.000 1.150 185 G CA 0.045 45.018 45.100 -0.212 0.000 0.785 185 G HN 0.309 nan 8.290 nan 0.000 0.535 186 L N 0.453 121.509 121.223 -0.278 0.000 2.209 186 L HA 0.147 4.495 4.340 0.014 0.000 0.207 186 L C 1.504 178.308 176.870 -0.109 0.000 1.094 186 L CA 0.157 54.833 54.840 -0.273 0.000 0.790 186 L CB -0.212 41.621 42.059 -0.376 0.000 0.932 186 L HN 0.048 nan 8.230 nan 0.000 0.447 187 S N 0.000 115.681 115.700 -0.031 0.000 2.498 187 S HA 0.000 4.478 4.470 0.014 0.000 0.327 187 S CA 0.000 58.220 58.200 0.033 0.000 1.107 187 S CB 0.000 63.252 63.200 0.086 0.000 0.593 187 S HN 0.000 nan 8.310 nan 0.000 0.517