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 3o9z_1_D DATA FIRST_RESID 1 DATA SEQUENCE MTRFALTGLA GYIAPRHLKA IKEVGGVLVA SLDPATNVGL VDSFFPEAEF DATA SEQUENCE FTEPEAFEAY LEDLRDRGEG VDYLSIASPN HLHYPQIRMA LRLGANALSE DATA SEQUENCE KPLVLWPEEI ARLKELEART GRRVYTVLQL RVHPSLLALK ERLGQEKGAK DATA SEQUENCE DVVLTYVTGR GKWYGKSWKV DEAKSGGLAT NIGIHFFDLL AWLFGRALHV DATA SEQUENCE EVHARTPTVN AGYLELEGAR VRWFLSIDPS FVPEPLRRQG KRTYRSIAVD DATA SEQUENCE GEEVEFSEGF TDLHTEVYRK TLAGEGFGLD EAAEAIRVAA LLRTLPLSQP DATA SEQUENCE SPENRHPFL 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 0.000 176.356 176.300 0.093 0.000 1.140 1 M CA 0.000 55.355 55.300 0.092 0.000 0.988 1 M CB 0.000 32.660 32.600 0.099 0.000 1.302 2 T N 4.377 119.007 114.554 0.127 0.000 2.888 2 T HA 0.308 4.658 4.350 -0.000 0.000 0.301 2 T C -0.052 174.681 174.700 0.054 0.000 1.001 2 T CA 0.109 62.248 62.100 0.064 0.000 1.147 2 T CB 0.211 69.134 68.868 0.091 0.000 0.931 2 T HN 0.523 nan 8.240 nan 0.000 0.541 3 R N 2.048 122.497 120.500 -0.085 0.000 2.265 3 R HA 0.506 4.846 4.340 -0.000 0.000 0.319 3 R C -0.901 175.288 176.300 -0.184 0.000 1.006 3 R CA -0.378 55.702 56.100 -0.034 0.000 0.880 3 R CB 0.753 31.037 30.300 -0.028 0.000 1.077 3 R HN 0.465 nan 8.270 nan 0.000 0.454 4 F N 0.890 120.857 119.950 0.028 0.000 2.522 4 F HA 0.656 5.183 4.527 -0.000 0.000 0.324 4 F C 0.334 176.159 175.800 0.042 0.000 1.077 4 F CA -0.749 57.288 58.000 0.062 0.000 0.944 4 F CB 1.993 41.016 39.000 0.039 0.000 1.175 4 F HN 0.486 nan 8.300 nan 0.000 0.468 5 A N 2.230 125.209 122.820 0.265 0.000 2.354 5 A HA 0.892 5.211 4.320 -0.000 0.000 0.321 5 A C -2.025 175.747 177.584 0.314 0.000 1.125 5 A CA -0.708 51.497 52.037 0.280 0.000 0.799 5 A CB 1.690 20.826 19.000 0.227 0.000 1.293 5 A HN 0.705 nan 8.150 nan 0.000 0.452 6 L N 0.999 122.392 121.223 0.283 0.000 2.410 6 L HA 0.712 5.052 4.340 -0.000 0.000 0.270 6 L C 0.128 177.014 176.870 0.026 0.000 0.983 6 L CA 0.184 55.106 54.840 0.137 0.000 0.822 6 L CB 2.192 44.291 42.059 0.067 0.000 1.285 6 L HN 0.916 nan 8.230 nan 0.000 0.409 7 T N 0.656 115.175 114.554 -0.057 0.000 2.902 7 T HA 0.669 5.019 4.350 -0.000 0.000 0.283 7 T C 0.644 175.266 174.700 -0.130 0.000 1.009 7 T CA -0.010 61.986 62.100 -0.173 0.000 1.051 7 T CB 1.475 70.234 68.868 -0.181 0.000 0.999 7 T HN 1.761 nan 8.240 nan 0.000 0.474 8 G N 1.305 110.035 108.800 -0.116 0.000 2.142 8 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.225 8 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.225 8 G C 0.424 175.320 174.900 -0.006 0.000 1.015 8 G CA 0.162 45.229 45.100 -0.054 0.000 0.716 8 G HN 1.045 nan 8.290 nan 0.000 0.508 9 L N 0.262 121.500 121.223 0.025 0.000 2.191 9 L HA 0.380 4.720 4.340 -0.000 0.000 0.212 9 L C 2.625 179.526 176.870 0.053 0.000 1.103 9 L CA 3.134 58.007 54.840 0.056 0.000 0.769 9 L CB -0.385 41.767 42.059 0.155 0.000 0.908 9 L HN 0.799 nan 8.230 nan 0.000 0.438 10 A N -0.988 121.875 122.820 0.073 0.000 2.238 10 A HA 0.417 4.737 4.320 -0.000 0.000 0.208 10 A C 1.309 178.935 177.584 0.069 0.000 1.177 10 A CA 0.373 52.445 52.037 0.059 0.000 0.804 10 A CB -1.052 17.992 19.000 0.073 0.000 0.823 10 A HN 0.440 nan 8.150 nan 0.000 0.482 11 G N -2.878 105.972 108.800 0.083 0.000 2.476 11 G HA2 0.329 4.289 3.960 -0.000 0.000 0.286 11 G HA3 0.329 4.289 3.960 -0.000 0.000 0.286 11 G C 0.469 175.459 174.900 0.149 0.000 1.177 11 G CA -0.227 44.962 45.100 0.148 0.000 0.870 11 G HN 0.307 nan 8.290 nan 0.000 0.528 12 Y N 1.438 121.792 120.300 0.090 0.000 2.144 12 Y HA -0.296 4.254 4.550 -0.000 0.000 0.277 12 Y C 2.215 178.156 175.900 0.068 0.000 1.229 12 Y CA 2.405 60.544 58.100 0.065 0.000 1.144 12 Y CB 0.123 38.636 38.460 0.089 0.000 0.953 12 Y HN 0.347 nan 8.280 nan 0.000 0.515 13 I N -0.215 120.411 120.570 0.093 0.000 3.645 13 I HA 0.165 4.335 4.170 -0.000 0.000 0.300 13 I C 2.216 178.334 176.117 0.002 0.000 1.260 13 I CA 0.968 62.281 61.300 0.022 0.000 1.365 13 I CB -0.412 37.733 38.000 0.242 0.000 1.077 13 I HN 0.239 nan 8.210 nan 0.000 0.439 14 A N 1.625 124.451 122.820 0.010 0.000 1.978 14 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 14 A C -0.128 177.411 177.584 -0.075 0.000 1.170 14 A CA 1.634 53.670 52.037 -0.001 0.000 0.636 14 A CB -1.977 17.006 19.000 -0.029 0.000 0.810 14 A HN 0.340 nan 8.150 nan 0.000 0.448 15 P HA -0.167 nan 4.420 nan 0.000 0.218 15 P C 1.299 178.439 177.300 -0.267 0.000 1.148 15 P CA 1.202 64.176 63.100 -0.210 0.000 0.822 15 P CB -0.127 31.486 31.700 -0.145 0.000 0.784 16 R N -1.686 118.644 120.500 -0.283 0.000 2.115 16 R HA -0.076 4.264 4.340 -0.000 0.000 0.226 16 R C 2.240 178.290 176.300 -0.417 0.000 1.100 16 R CA 0.891 56.755 56.100 -0.393 0.000 0.980 16 R CB -0.920 28.966 30.300 -0.689 0.000 0.875 16 R HN 0.448 nan 8.270 nan 0.000 0.445 17 H N 0.991 119.871 119.070 -0.316 0.000 2.395 17 H HA 0.016 4.572 4.556 -0.000 0.000 0.299 17 H C 2.299 177.362 175.328 -0.443 0.000 1.070 17 H CA 1.131 57.008 56.048 -0.285 0.000 1.356 17 H CB 0.096 29.813 29.762 -0.075 0.000 1.401 17 H HN 0.135 nan 8.280 nan 0.000 0.524 18 L N 0.708 121.724 121.223 -0.345 0.000 2.046 18 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 18 L C 2.653 179.172 176.870 -0.586 0.000 1.077 18 L CA 1.200 55.691 54.840 -0.581 0.000 0.747 18 L CB -0.325 41.080 42.059 -1.091 0.000 0.896 18 L HN 0.150 nan 8.230 nan 0.000 0.432 19 K N 0.096 120.206 120.400 -0.484 0.000 2.032 19 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 19 K C 2.244 178.701 176.600 -0.239 0.000 1.048 19 K CA 1.526 57.713 56.287 -0.168 0.000 0.927 19 K CB -0.241 32.196 32.500 -0.104 0.000 0.712 19 K HN 0.300 nan 8.250 nan 0.000 0.441 20 A N 1.425 123.969 122.820 -0.459 0.000 1.902 20 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 20 A C 2.105 179.296 177.584 -0.654 0.000 1.181 20 A CA 1.326 52.967 52.037 -0.659 0.000 0.623 20 A CB -0.567 17.656 19.000 -1.295 0.000 0.818 20 A HN 0.200 nan 8.150 nan 0.000 0.443 21 I N -0.771 119.373 120.570 -0.710 0.000 2.179 21 I HA -0.254 3.915 4.170 -0.000 0.000 0.242 21 I C 2.509 178.583 176.117 -0.072 0.000 1.088 21 I CA 1.860 62.819 61.300 -0.569 0.000 1.357 21 I CB -0.268 37.346 38.000 -0.643 0.000 1.051 21 I HN 0.284 nan 8.210 nan 0.000 0.409 22 K N 1.496 121.960 120.400 0.106 0.000 2.009 22 K HA -0.218 4.102 4.320 -0.000 0.000 0.210 22 K C 1.950 178.582 176.600 0.054 0.000 1.049 22 K CA 1.780 58.168 56.287 0.169 0.000 0.929 22 K CB -0.114 32.478 32.500 0.154 0.000 0.714 22 K HN 0.308 nan 8.250 nan 0.000 0.440 23 E N -0.286 119.902 120.200 -0.020 0.000 2.150 23 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 23 E C 1.534 178.125 176.600 -0.015 0.000 0.985 23 E CA 1.259 57.644 56.400 -0.026 0.000 0.814 23 E CB 0.061 29.730 29.700 -0.051 0.000 0.752 23 E HN 0.360 nan 8.360 nan 0.000 0.466 24 V N -1.970 117.927 119.914 -0.029 0.000 3.636 24 V HA 0.326 4.446 4.120 -0.000 0.000 0.279 24 V C 1.125 177.263 176.094 0.073 0.000 1.263 24 V CA 0.559 62.872 62.300 0.021 0.000 1.182 24 V CB -0.624 31.222 31.823 0.039 0.000 0.955 24 V HN 0.284 nan 8.190 nan 0.000 0.443 25 G N -0.532 108.317 108.800 0.081 0.000 2.160 25 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.251 25 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.251 25 G C 0.530 175.537 174.900 0.177 0.000 1.008 25 G CA 0.210 45.380 45.100 0.116 0.000 0.724 25 G HN 1.404 nan 8.290 nan 0.000 0.514 26 G N -1.779 107.148 108.800 0.213 0.000 2.547 26 G HA2 0.677 4.637 3.960 -0.000 0.000 0.291 26 G HA3 0.677 4.637 3.960 -0.000 0.000 0.291 26 G C -0.290 174.779 174.900 0.281 0.000 1.211 26 G CA 0.079 45.369 45.100 0.316 0.000 0.950 26 G HN 1.255 nan 8.290 nan 0.000 0.504 27 V N 0.506 120.555 119.914 0.225 0.000 2.588 27 V HA 0.568 4.688 4.120 -0.000 0.000 0.304 27 V C -0.905 175.039 176.094 -0.251 0.000 1.042 27 V CA -0.982 61.325 62.300 0.012 0.000 0.877 27 V CB 1.634 33.539 31.823 0.137 0.000 0.996 27 V HN 0.669 nan 8.190 nan 0.000 0.425 28 L N 6.915 127.551 121.223 -0.978 0.000 2.283 28 L HA 0.427 4.766 4.340 -0.000 0.000 0.287 28 L C 0.628 177.404 176.870 -0.157 0.000 1.073 28 L CA 0.679 55.182 54.840 -0.561 0.000 0.822 28 L CB 1.496 43.049 42.059 -0.844 0.000 1.186 28 L HN 0.567 nan 8.230 nan 0.000 0.436 29 V N 4.657 124.591 119.914 0.034 0.000 2.599 29 V HA 0.405 4.525 4.120 -0.000 0.000 0.245 29 V C 0.868 177.095 176.094 0.221 0.000 1.046 29 V CA 1.045 63.429 62.300 0.139 0.000 1.065 29 V CB -0.455 31.458 31.823 0.150 0.000 0.703 29 V HN 0.901 nan 8.190 nan 0.000 0.464 30 A N -1.299 121.673 122.820 0.253 0.000 2.608 30 A HA 0.756 5.075 4.320 -0.000 0.000 0.292 30 A C -0.817 177.029 177.584 0.436 0.000 1.066 30 A CA -0.323 51.936 52.037 0.370 0.000 0.676 30 A CB 1.609 20.896 19.000 0.478 0.000 1.277 30 A HN 0.088 nan 8.150 nan 0.000 0.413 31 S N -0.533 115.425 115.700 0.431 0.000 2.627 31 S HA 0.805 5.275 4.470 -0.000 0.000 0.283 31 S C -1.472 173.045 174.600 -0.138 0.000 1.127 31 S CA -0.524 57.817 58.200 0.235 0.000 0.863 31 S CB 1.729 65.082 63.200 0.255 0.000 1.121 31 S HN 1.493 nan 8.310 nan 0.000 0.479 32 L N 1.908 122.816 121.223 -0.526 0.000 2.410 32 L HA 0.800 5.140 4.340 -0.000 0.000 0.270 32 L C -1.663 174.959 176.870 -0.414 0.000 0.983 32 L CA 0.060 54.422 54.840 -0.797 0.000 0.822 32 L CB 1.669 42.867 42.059 -1.435 0.000 1.285 32 L HN 0.709 nan 8.230 nan 0.000 0.409 33 D N 5.004 125.202 120.400 -0.336 0.000 2.803 33 D HA 0.342 4.981 4.640 -0.000 0.000 0.218 33 D C -2.507 173.786 176.300 -0.011 0.000 1.245 33 D CA -0.995 52.971 54.000 -0.057 0.000 0.821 33 D CB 3.298 44.196 40.800 0.164 0.000 1.626 33 D HN 0.315 nan 8.370 nan 0.000 0.487 34 P HA 0.047 nan 4.420 nan 0.000 0.221 34 P C 0.267 177.622 177.300 0.092 0.000 1.150 34 P CA 0.428 63.543 63.100 0.025 0.000 0.800 34 P CB 0.460 32.165 31.700 0.009 0.000 0.787 35 A N 0.039 122.928 122.820 0.116 0.000 2.269 35 A HA 0.497 4.816 4.320 -0.000 0.000 0.319 35 A C 1.056 178.732 177.584 0.152 0.000 1.110 35 A CA 0.107 52.213 52.037 0.114 0.000 0.847 35 A CB 0.433 19.483 19.000 0.084 0.000 1.161 35 A HN 0.144 nan 8.150 nan 0.000 0.497 36 T N -2.252 112.338 114.554 0.060 0.000 3.040 36 T HA 0.092 4.441 4.350 -0.000 0.000 0.266 36 T C 0.387 175.012 174.700 -0.125 0.000 1.005 36 T CA 0.028 62.095 62.100 -0.056 0.000 0.906 36 T CB -0.382 68.460 68.868 -0.043 0.000 1.082 36 T HN 0.483 nan 8.240 nan 0.000 0.531 37 N N 2.856 121.522 118.700 -0.057 0.000 2.892 37 N HA 0.107 4.847 4.740 -0.000 0.000 0.300 37 N C 0.715 176.182 175.510 -0.071 0.000 1.211 37 N CA -0.021 52.993 53.050 -0.060 0.000 1.158 37 N CB 0.070 38.543 38.487 -0.024 0.000 1.455 37 N HN 0.488 nan 8.380 nan 0.000 0.524 38 V N -0.498 119.330 119.914 -0.142 0.000 3.166 38 V HA 0.476 4.596 4.120 -0.000 0.000 0.332 38 V C 1.621 177.646 176.094 -0.116 0.000 1.434 38 V CA 0.186 62.405 62.300 -0.134 0.000 1.121 38 V CB 0.228 31.913 31.823 -0.229 0.000 1.062 38 V HN 0.242 nan 8.190 nan 0.000 0.489 39 G N 1.291 110.031 108.800 -0.101 0.000 2.462 39 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 39 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 39 G C 1.225 176.120 174.900 -0.008 0.000 1.121 39 G CA 1.366 46.425 45.100 -0.068 0.000 0.758 39 G HN 0.548 nan 8.290 nan 0.000 0.559 40 L N 0.809 122.045 121.223 0.021 0.000 2.189 40 L HA -0.037 4.302 4.340 -0.000 0.000 0.214 40 L C 2.705 179.697 176.870 0.203 0.000 1.097 40 L CA 1.424 56.322 54.840 0.097 0.000 0.764 40 L CB -0.397 41.730 42.059 0.113 0.000 0.900 40 L HN 0.082 nan 8.230 nan 0.000 0.436 41 V N -0.406 119.599 119.914 0.151 0.000 2.568 41 V HA -0.287 3.833 4.120 -0.000 0.000 0.253 41 V C 1.963 178.193 176.094 0.227 0.000 1.072 41 V CA 2.229 64.666 62.300 0.228 0.000 1.084 41 V CB -0.539 31.373 31.823 0.149 0.000 0.676 41 V HN 0.548 nan 8.190 nan 0.000 0.469 42 D N 0.076 120.539 120.400 0.106 0.000 2.219 42 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 42 D C 2.315 178.613 176.300 -0.002 0.000 0.970 42 D CA 1.594 55.624 54.000 0.050 0.000 0.851 42 D CB -0.147 40.654 40.800 0.001 0.000 0.943 42 D HN 0.701 nan 8.370 nan 0.000 0.488 43 S N -1.232 114.444 115.700 -0.041 0.000 2.562 43 S HA 0.024 4.493 4.470 -0.000 0.000 0.221 43 S C 1.518 175.844 174.600 -0.457 0.000 0.975 43 S CA 0.136 58.191 58.200 -0.242 0.000 0.918 43 S CB -0.268 62.735 63.200 -0.328 0.000 0.772 43 S HN 0.138 nan 8.310 nan 0.000 0.531 44 F N 0.013 119.837 119.950 -0.209 0.000 2.532 44 F HA 0.478 5.005 4.527 -0.000 0.000 0.278 44 F C 0.081 175.365 175.800 -0.861 0.000 0.975 44 F CA -0.465 57.228 58.000 -0.511 0.000 1.292 44 F CB 0.394 39.167 39.000 -0.378 0.000 1.112 44 F HN 0.097 nan 8.300 nan 0.000 0.703 45 F N 1.395 121.475 119.950 0.217 0.000 2.686 45 F HA 0.372 4.899 4.527 -0.000 0.000 0.365 45 F C -2.032 173.826 175.800 0.096 0.000 1.196 45 F CA -2.266 55.814 58.000 0.133 0.000 1.198 45 F CB 0.538 39.617 39.000 0.133 0.000 1.454 45 F HN -0.221 nan 8.300 nan 0.000 0.539 46 P HA -0.067 nan 4.420 nan 0.000 0.239 46 P C 0.522 177.882 177.300 0.101 0.000 1.184 46 P CA 1.099 64.253 63.100 0.090 0.000 0.760 46 P CB 0.419 32.135 31.700 0.028 0.000 0.884 47 E N -0.984 119.302 120.200 0.145 0.000 2.562 47 E HA 0.287 4.636 4.350 -0.000 0.000 0.214 47 E C 0.386 177.065 176.600 0.132 0.000 0.979 47 E CA -0.356 56.115 56.400 0.118 0.000 1.002 47 E CB 0.388 30.156 29.700 0.113 0.000 1.048 47 E HN 0.097 nan 8.360 nan 0.000 0.488 48 A N 1.660 124.585 122.820 0.175 0.000 2.498 48 A HA 0.044 4.364 4.320 -0.000 0.000 0.239 48 A C 0.353 178.011 177.584 0.124 0.000 1.068 48 A CA -0.062 52.077 52.037 0.169 0.000 0.766 48 A CB 0.280 19.402 19.000 0.203 0.000 1.003 48 A HN 0.033 nan 8.150 nan 0.000 0.497 49 E N 0.003 120.261 120.200 0.096 0.000 2.408 49 E HA 0.337 4.686 4.350 -0.000 0.000 0.259 49 E C -1.120 175.519 176.600 0.065 0.000 1.110 49 E CA 0.383 56.762 56.400 -0.034 0.000 0.929 49 E CB 0.765 30.338 29.700 -0.213 0.000 0.971 49 E HN 0.486 nan 8.360 nan 0.000 0.438 50 F N 1.433 121.174 119.950 -0.348 0.000 2.581 50 F HA 0.468 4.995 4.527 -0.000 0.000 0.311 50 F C -1.708 173.769 175.800 -0.537 0.000 1.113 50 F CA -0.915 56.950 58.000 -0.225 0.000 0.935 50 F CB 1.060 39.976 39.000 -0.139 0.000 1.232 50 F HN 0.264 nan 8.300 nan 0.000 0.445 51 F N 2.366 121.708 119.950 -1.012 0.000 2.565 51 F HA 0.349 4.875 4.527 -0.000 0.000 0.313 51 F C 0.849 176.096 175.800 -0.921 0.000 1.091 51 F CA -0.515 57.098 58.000 -0.645 0.000 0.915 51 F CB 2.522 41.367 39.000 -0.257 0.000 1.208 51 F HN 0.514 nan 8.300 nan 0.000 0.453 52 T N -3.200 111.192 114.554 -0.270 0.000 3.044 52 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 52 T C 0.138 174.796 174.700 -0.071 0.000 1.081 52 T CA 0.128 62.139 62.100 -0.148 0.000 1.040 52 T CB 0.014 68.895 68.868 0.021 0.000 0.962 52 T HN 0.282 nan 8.240 nan 0.000 0.506 53 E N 2.278 122.479 120.200 0.002 0.000 2.113 53 E HA 0.316 4.666 4.350 -0.000 0.000 0.273 53 E C -2.166 174.434 176.600 0.001 0.000 0.924 53 E CA -2.971 53.439 56.400 0.017 0.000 0.764 53 E CB 1.820 31.557 29.700 0.061 0.000 1.104 53 E HN 0.079 nan 8.360 nan 0.000 0.406 54 P HA -0.155 nan 4.420 nan 0.000 0.216 54 P C 0.672 177.986 177.300 0.024 0.000 1.150 54 P CA 1.251 64.334 63.100 -0.028 0.000 0.837 54 P CB 0.507 32.179 31.700 -0.046 0.000 0.786 55 E N -0.409 119.793 120.200 0.005 0.000 2.150 55 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 55 E C 2.088 178.675 176.600 -0.022 0.000 0.985 55 E CA 1.321 57.717 56.400 -0.006 0.000 0.814 55 E CB -0.967 28.732 29.700 -0.002 0.000 0.752 55 E HN 0.162 nan 8.360 nan 0.000 0.466 56 A N 0.393 123.214 122.820 0.001 0.000 1.929 56 A HA -0.102 4.217 4.320 -0.000 0.000 0.216 56 A C 1.986 179.359 177.584 -0.352 0.000 1.176 56 A CA 0.827 52.857 52.037 -0.012 0.000 0.628 56 A CB -0.654 18.469 19.000 0.205 0.000 0.816 56 A HN 0.329 nan 8.150 nan 0.000 0.444 57 F N 0.906 120.441 119.950 -0.691 0.000 2.134 57 F HA -0.143 4.383 4.527 -0.000 0.000 0.299 57 F C 2.139 177.639 175.800 -0.499 0.000 1.097 57 F CA 2.138 59.511 58.000 -1.045 0.000 1.264 57 F CB -0.233 38.444 39.000 -0.537 0.000 1.001 57 F HN 0.415 nan 8.300 nan 0.000 0.479 58 E N 0.056 120.134 120.200 -0.203 0.000 2.072 58 E HA -0.159 4.190 4.350 -0.000 0.000 0.191 58 E C 2.270 178.728 176.600 -0.237 0.000 0.985 58 E CA 0.982 57.240 56.400 -0.237 0.000 0.801 58 E CB -0.333 29.307 29.700 -0.101 0.000 0.750 58 E HN 0.438 nan 8.360 nan 0.000 0.452 59 A N 0.227 122.947 122.820 -0.166 0.000 1.933 59 A HA -0.203 4.116 4.320 -0.000 0.000 0.218 59 A C 2.028 179.541 177.584 -0.119 0.000 1.175 59 A CA 1.476 53.445 52.037 -0.113 0.000 0.628 59 A CB -0.853 18.119 19.000 -0.047 0.000 0.814 59 A HN 0.597 nan 8.150 nan 0.000 0.444 60 Y N 0.408 120.534 120.300 -0.290 0.000 2.163 60 Y HA -0.103 4.446 4.550 -0.000 0.000 0.288 60 Y C 1.894 177.643 175.900 -0.251 0.000 1.136 60 Y CA 1.798 59.760 58.100 -0.230 0.000 1.147 60 Y CB -0.296 37.985 38.460 -0.298 0.000 0.987 60 Y HN 0.195 nan 8.280 nan 0.000 0.509 61 L N 0.190 121.154 121.223 -0.432 0.000 2.141 61 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 61 L C 2.527 179.183 176.870 -0.358 0.000 1.094 61 L CA 1.794 56.353 54.840 -0.469 0.000 0.763 61 L CB -0.525 41.229 42.059 -0.508 0.000 0.908 61 L HN 0.326 nan 8.230 nan 0.000 0.437 62 E N 0.233 120.263 120.200 -0.284 0.000 2.107 62 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 62 E C 1.576 178.059 176.600 -0.195 0.000 0.982 62 E CA 1.147 57.423 56.400 -0.207 0.000 0.809 62 E CB 0.184 29.788 29.700 -0.160 0.000 0.756 62 E HN 0.386 nan 8.360 nan 0.000 0.459 63 D N 0.754 121.027 120.400 -0.212 0.000 2.104 63 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 63 D C 2.110 178.277 176.300 -0.222 0.000 0.994 63 D CA 0.926 54.812 54.000 -0.189 0.000 0.830 63 D CB -0.254 40.437 40.800 -0.181 0.000 0.959 63 D HN 0.261 nan 8.370 nan 0.000 0.452 64 L N 0.343 121.367 121.223 -0.331 0.000 1.989 64 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 64 L C 2.702 179.452 176.870 -0.199 0.000 1.071 64 L CA 1.109 55.772 54.840 -0.294 0.000 0.749 64 L CB -0.433 41.401 42.059 -0.376 0.000 0.890 64 L HN 0.015 nan 8.230 nan 0.000 0.431 65 R N 0.361 120.742 120.500 -0.199 0.000 2.096 65 R HA -0.211 4.129 4.340 -0.000 0.000 0.240 65 R C 1.775 178.002 176.300 -0.121 0.000 1.139 65 R CA 2.185 58.194 56.100 -0.152 0.000 0.952 65 R CB -0.256 29.951 30.300 -0.154 0.000 0.854 65 R HN 0.351 nan 8.270 nan 0.000 0.436 66 D N 0.041 120.369 120.400 -0.120 0.000 2.264 66 D HA -0.140 4.500 4.640 -0.000 0.000 0.208 66 D C 1.274 177.526 176.300 -0.079 0.000 0.966 66 D CA 1.091 55.036 54.000 -0.092 0.000 0.864 66 D CB -0.054 40.694 40.800 -0.086 0.000 0.933 66 D HN 0.476 nan 8.370 nan 0.000 0.499 67 R N -0.402 120.046 120.500 -0.087 0.000 2.515 67 R HA 0.337 4.676 4.340 -0.000 0.000 0.294 67 R C 0.873 177.133 176.300 -0.066 0.000 1.021 67 R CA 0.347 56.406 56.100 -0.069 0.000 1.081 67 R CB -0.273 29.988 30.300 -0.064 0.000 1.263 67 R HN -0.068 nan 8.270 nan 0.000 0.557 68 G N 1.286 110.042 108.800 -0.073 0.000 2.198 68 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 68 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 68 G C -0.094 174.765 174.900 -0.067 0.000 1.025 68 G CA 0.480 45.540 45.100 -0.066 0.000 0.769 68 G HN 0.612 nan 8.290 nan 0.000 0.507 69 E N -0.346 119.803 120.200 -0.085 0.000 3.191 69 E HA 0.368 4.718 4.350 -0.000 0.000 0.192 69 E C 1.250 177.784 176.600 -0.109 0.000 0.972 69 E CA -0.186 56.165 56.400 -0.081 0.000 1.266 69 E CB 0.669 30.326 29.700 -0.071 0.000 1.076 69 E HN 0.509 nan 8.360 nan 0.000 0.462 70 G N 1.324 110.051 108.800 -0.122 0.000 2.614 70 G HA2 0.225 4.185 3.960 -0.000 0.000 0.239 70 G HA3 0.225 4.185 3.960 -0.000 0.000 0.239 70 G C 0.656 175.477 174.900 -0.131 0.000 1.240 70 G CA -0.428 44.584 45.100 -0.148 0.000 0.842 70 G HN 0.107 nan 8.290 nan 0.000 0.584 71 V N -0.614 119.214 119.914 -0.143 0.000 2.924 71 V HA 0.254 4.374 4.120 -0.000 0.000 0.305 71 V C 0.504 176.500 176.094 -0.164 0.000 1.073 71 V CA -0.211 62.013 62.300 -0.127 0.000 1.098 71 V CB 1.434 33.197 31.823 -0.099 0.000 1.000 71 V HN 0.636 nan 8.190 nan 0.000 0.484 72 D N 0.624 120.911 120.400 -0.189 0.000 2.240 72 D HA 0.123 4.762 4.640 -0.000 0.000 0.206 72 D C -0.259 175.798 176.300 -0.405 0.000 0.963 72 D CA 1.541 55.394 54.000 -0.244 0.000 0.863 72 D CB 0.251 40.955 40.800 -0.161 0.000 0.973 72 D HN 0.706 nan 8.370 nan 0.000 0.501 73 Y N -0.284 119.797 120.300 -0.366 0.000 2.492 73 Y HA 0.354 4.903 4.550 -0.000 0.000 0.346 73 Y C -0.810 175.039 175.900 -0.085 0.000 0.997 73 Y CA -1.118 56.832 58.100 -0.250 0.000 1.025 73 Y CB 2.133 40.359 38.460 -0.390 0.000 1.263 73 Y HN -0.273 nan 8.280 nan 0.000 0.454 74 L N 2.782 124.083 121.223 0.131 0.000 2.265 74 L HA 0.553 4.893 4.340 -0.000 0.000 0.289 74 L C -0.495 176.513 176.870 0.230 0.000 1.033 74 L CA 0.032 54.975 54.840 0.172 0.000 0.814 74 L CB 0.791 42.903 42.059 0.088 0.000 1.203 74 L HN 0.532 nan 8.230 nan 0.000 0.423 75 S N 6.022 121.893 115.700 0.285 0.000 2.513 75 S HA 0.601 5.071 4.470 -0.000 0.000 0.276 75 S C -0.156 174.456 174.600 0.020 0.000 1.254 75 S CA -0.254 58.071 58.200 0.208 0.000 1.053 75 S CB 0.584 63.979 63.200 0.326 0.000 0.958 75 S HN 0.488 nan 8.310 nan 0.000 0.491 76 I N 2.509 123.028 120.570 -0.085 0.000 2.411 76 I HA 0.444 4.614 4.170 -0.000 0.000 0.284 76 I C 0.242 176.192 176.117 -0.278 0.000 1.012 76 I CA -0.367 60.833 61.300 -0.168 0.000 1.119 76 I CB 1.556 39.451 38.000 -0.176 0.000 1.261 76 I HN 0.752 nan 8.210 nan 0.000 0.448 77 A N 4.287 126.968 122.820 -0.232 0.000 2.594 77 A HA 0.387 4.707 4.320 -0.000 0.000 0.292 77 A C 0.518 178.098 177.584 -0.006 0.000 1.026 77 A CA -0.307 51.640 52.037 -0.150 0.000 0.983 77 A CB 0.001 18.831 19.000 -0.283 0.000 1.233 77 A HN 0.628 nan 8.150 nan 0.000 0.519 78 S N -0.157 115.542 115.700 -0.002 0.000 2.661 78 S HA 0.616 5.085 4.470 -0.000 0.000 0.265 78 S C -2.729 171.828 174.600 -0.072 0.000 1.225 78 S CA -1.156 57.019 58.200 -0.041 0.000 0.986 78 S CB 0.101 63.244 63.200 -0.096 0.000 1.008 78 S HN 0.120 nan 8.310 nan 0.000 0.565 79 P HA 0.257 nan 4.420 nan 0.000 0.270 79 P C 0.330 177.211 177.300 -0.700 0.000 1.223 79 P CA -0.352 62.080 63.100 -1.114 0.000 0.785 79 P CB 0.335 31.177 31.700 -1.430 0.000 0.923 80 N N 0.511 118.850 118.700 -0.602 0.000 2.166 80 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 80 N C 1.521 176.745 175.510 -0.477 0.000 1.019 80 N CA 1.456 54.087 53.050 -0.698 0.000 0.856 80 N CB -1.134 37.261 38.487 -0.155 0.000 0.993 80 N HN 0.678 nan 8.380 nan 0.000 0.426 81 H N -0.851 118.046 119.070 -0.289 0.000 2.521 81 H HA 0.133 4.688 4.556 -0.000 0.000 0.286 81 H C 1.661 176.956 175.328 -0.055 0.000 1.034 81 H CA 0.576 56.559 56.048 -0.109 0.000 1.278 81 H CB -0.304 29.438 29.762 -0.033 0.000 1.386 81 H HN 0.114 nan 8.280 nan 0.000 0.567 82 L N 0.165 121.020 121.223 -0.614 0.000 2.509 82 L HA 0.027 4.367 4.340 -0.000 0.000 0.222 82 L C 1.938 178.783 176.870 -0.043 0.000 1.123 82 L CA 0.270 54.876 54.840 -0.391 0.000 0.856 82 L CB -0.275 41.513 42.059 -0.452 0.000 0.985 82 L HN 0.494 nan 8.230 nan 0.000 0.456 83 H N -1.493 117.523 119.070 -0.091 0.000 2.293 83 H HA -0.261 4.295 4.556 -0.000 0.000 0.300 83 H C 2.068 177.420 175.328 0.040 0.000 1.082 83 H CA 1.837 57.875 56.048 -0.017 0.000 1.308 83 H CB -0.062 29.714 29.762 0.024 0.000 1.375 83 H HN 0.230 nan 8.280 nan 0.000 0.495 84 Y N 2.507 122.869 120.300 0.102 0.000 2.081 84 Y HA -0.150 4.400 4.550 -0.000 0.000 0.280 84 Y C -0.676 175.241 175.900 0.029 0.000 1.163 84 Y CA 1.353 59.491 58.100 0.063 0.000 1.135 84 Y CB -1.133 37.372 38.460 0.075 0.000 0.970 84 Y HN 0.145 nan 8.280 nan 0.000 0.498 85 P HA -0.128 nan 4.420 nan 0.000 0.225 85 P C 0.910 178.101 177.300 -0.181 0.000 1.156 85 P CA 1.669 64.610 63.100 -0.264 0.000 0.787 85 P CB -0.052 31.588 31.700 -0.099 0.000 0.802 86 Q N -0.439 119.300 119.800 -0.101 0.000 2.187 86 Q HA 0.006 4.346 4.340 -0.000 0.000 0.199 86 Q C 2.368 178.327 176.000 -0.068 0.000 0.957 86 Q CA 0.860 56.626 55.803 -0.062 0.000 0.857 86 Q CB -0.394 28.324 28.738 -0.033 0.000 0.929 86 Q HN 0.280 nan 8.270 nan 0.000 0.453 87 I N 0.478 121.000 120.570 -0.079 0.000 2.226 87 I HA -0.268 3.901 4.170 -0.000 0.000 0.245 87 I C 2.283 178.316 176.117 -0.140 0.000 1.100 87 I CA 0.850 62.101 61.300 -0.082 0.000 1.374 87 I CB -0.183 37.795 38.000 -0.037 0.000 1.057 87 I HN 0.128 nan 8.210 nan 0.000 0.413 88 R N 0.302 120.656 120.500 -0.243 0.000 2.105 88 R HA -0.209 4.130 4.340 -0.000 0.000 0.239 88 R C 2.206 178.408 176.300 -0.163 0.000 1.135 88 R CA 1.625 57.575 56.100 -0.250 0.000 0.967 88 R CB -0.774 29.297 30.300 -0.382 0.000 0.861 88 R HN 0.462 nan 8.270 nan 0.000 0.442 89 M N 0.256 119.775 119.600 -0.135 0.000 2.086 89 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 89 M C 2.204 178.444 176.300 -0.101 0.000 1.067 89 M CA 1.955 57.196 55.300 -0.099 0.000 1.116 89 M CB -0.195 32.373 32.600 -0.055 0.000 1.348 89 M HN 0.133 nan 8.290 nan 0.000 0.407 90 A N 1.132 123.898 122.820 -0.089 0.000 1.873 90 A HA -0.204 4.115 4.320 -0.000 0.000 0.218 90 A C 2.026 179.535 177.584 -0.124 0.000 1.193 90 A CA 2.032 54.009 52.037 -0.099 0.000 0.629 90 A CB -1.276 17.676 19.000 -0.079 0.000 0.826 90 A HN 0.639 nan 8.150 nan 0.000 0.447 91 L N -0.530 120.620 121.223 -0.122 0.000 2.083 91 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 91 L C 2.800 179.601 176.870 -0.114 0.000 1.083 91 L CA 1.852 56.618 54.840 -0.122 0.000 0.752 91 L CB -0.618 41.374 42.059 -0.111 0.000 0.899 91 L HN 0.633 nan 8.230 nan 0.000 0.433 92 R N 0.949 121.382 120.500 -0.111 0.000 2.189 92 R HA -0.107 4.233 4.340 -0.000 0.000 0.223 92 R C 1.781 178.014 176.300 -0.112 0.000 1.092 92 R CA 1.182 57.220 56.100 -0.103 0.000 0.989 92 R CB -0.340 29.902 30.300 -0.097 0.000 0.876 92 R HN 0.346 nan 8.270 nan 0.000 0.457 93 L N 0.723 121.869 121.223 -0.128 0.000 2.591 93 L HA 0.277 4.617 4.340 -0.000 0.000 0.228 93 L C 0.828 177.612 176.870 -0.144 0.000 1.133 93 L CA 0.477 55.230 54.840 -0.145 0.000 0.880 93 L CB 0.274 42.230 42.059 -0.171 0.000 1.033 93 L HN 0.650 nan 8.230 nan 0.000 0.450 94 G N 0.457 109.175 108.800 -0.135 0.000 2.176 94 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.252 94 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.252 94 G C 0.203 175.002 174.900 -0.168 0.000 1.024 94 G CA 0.225 45.242 45.100 -0.139 0.000 0.755 94 G HN 0.509 nan 8.290 nan 0.000 0.507 95 A N -0.543 122.166 122.820 -0.186 0.000 2.311 95 A HA 0.798 5.118 4.320 -0.000 0.000 0.334 95 A C 0.348 177.762 177.584 -0.283 0.000 1.139 95 A CA -0.667 51.225 52.037 -0.242 0.000 0.830 95 A CB 0.792 19.670 19.000 -0.204 0.000 1.234 95 A HN 0.272 nan 8.150 nan 0.000 0.483 96 N N -0.007 118.414 118.700 -0.464 0.000 2.424 96 N HA 0.519 5.259 4.740 -0.000 0.000 0.257 96 N C -0.223 175.136 175.510 -0.252 0.000 1.250 96 N CA 0.312 53.081 53.050 -0.468 0.000 0.946 96 N CB 1.283 39.252 38.487 -0.863 0.000 1.175 96 N HN 0.814 nan 8.380 nan 0.000 0.477 97 A N 0.483 123.260 122.820 -0.072 0.000 2.350 97 A HA 0.622 4.942 4.320 -0.000 0.000 0.324 97 A C -1.158 176.554 177.584 0.214 0.000 1.118 97 A CA -0.519 51.556 52.037 0.063 0.000 0.783 97 A CB 0.923 19.917 19.000 -0.011 0.000 1.236 97 A HN 0.471 nan 8.150 nan 0.000 0.457 98 L N 1.996 123.353 121.223 0.223 0.000 2.427 98 L HA 0.613 4.953 4.340 -0.000 0.000 0.264 98 L C -0.272 176.646 176.870 0.080 0.000 0.989 98 L CA 0.078 55.013 54.840 0.159 0.000 0.865 98 L CB 1.308 43.393 42.059 0.043 0.000 1.209 98 L HN 0.613 nan 8.230 nan 0.000 0.430 99 S N 3.248 118.967 115.700 0.031 0.000 2.509 99 S HA 0.549 5.019 4.470 -0.000 0.000 0.297 99 S C -0.136 174.429 174.600 -0.059 0.000 1.118 99 S CA -0.620 57.522 58.200 -0.097 0.000 1.074 99 S CB 0.842 63.943 63.200 -0.165 0.000 1.038 99 S HN 0.625 nan 8.310 nan 0.000 0.498 100 E N 2.270 122.403 120.200 -0.111 0.000 2.458 100 E HA 0.020 4.370 4.350 -0.000 0.000 0.264 100 E C 0.009 176.647 176.600 0.064 0.000 1.097 100 E CA 0.145 56.568 56.400 0.037 0.000 0.973 100 E CB 0.286 30.062 29.700 0.126 0.000 0.963 100 E HN 0.623 nan 8.360 nan 0.000 0.451 101 K N 1.826 122.307 120.400 0.134 0.000 2.276 101 K HA 0.233 4.552 4.320 -0.000 0.000 0.259 101 K C -2.440 174.327 176.600 0.277 0.000 1.001 101 K CA -1.583 54.794 56.287 0.149 0.000 0.927 101 K CB -0.793 31.737 32.500 0.051 0.000 0.969 101 K HN 0.102 nan 8.250 nan 0.000 0.490 102 P HA -0.044 nan 4.420 nan 0.000 0.271 102 P C 0.463 177.904 177.300 0.235 0.000 1.216 102 P CA -0.507 62.672 63.100 0.132 0.000 0.776 102 P CB 0.726 32.451 31.700 0.041 0.000 0.881 103 L N 4.375 125.685 121.223 0.146 0.000 2.013 103 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 103 L C 0.844 177.838 176.870 0.208 0.000 1.073 103 L CA 2.144 57.077 54.840 0.155 0.000 0.753 103 L CB -0.517 41.592 42.059 0.084 0.000 0.890 103 L HN 0.434 nan 8.230 nan 0.000 0.432 104 V N -6.002 113.987 119.914 0.126 0.000 3.181 104 V HA 0.282 4.402 4.120 -0.000 0.000 0.307 104 V C 0.705 176.771 176.094 -0.047 0.000 1.310 104 V CA -0.786 61.570 62.300 0.094 0.000 1.067 104 V CB 1.491 33.370 31.823 0.094 0.000 1.081 104 V HN 0.039 nan 8.190 nan 0.000 0.453 105 L N -1.205 119.936 121.223 -0.136 0.000 2.354 105 L HA 0.356 4.696 4.340 -0.000 0.000 0.212 105 L C -0.010 176.452 176.870 -0.681 0.000 1.091 105 L CA 1.046 55.612 54.840 -0.456 0.000 0.828 105 L CB 0.222 41.941 42.059 -0.567 0.000 0.973 105 L HN 0.632 nan 8.230 nan 0.000 0.461 106 W N -1.584 119.667 121.300 -0.082 0.000 2.915 106 W HA 0.329 4.989 4.660 -0.000 0.000 0.337 106 W C -1.888 174.570 176.519 -0.101 0.000 1.102 106 W CA -1.408 55.881 57.345 -0.094 0.000 1.224 106 W CB 0.755 30.144 29.460 -0.117 0.000 1.416 106 W HN -0.367 nan 8.180 nan 0.000 0.503 107 P HA -0.226 nan 4.420 nan 0.000 0.217 107 P C 1.057 178.387 177.300 0.049 0.000 1.148 107 P CA 1.811 64.961 63.100 0.084 0.000 0.828 107 P CB 0.381 32.129 31.700 0.080 0.000 0.783 108 E N -0.348 119.882 120.200 0.050 0.000 2.110 108 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 108 E C 1.889 178.443 176.600 -0.077 0.000 0.988 108 E CA 0.993 57.379 56.400 -0.023 0.000 0.804 108 E CB -0.255 29.403 29.700 -0.069 0.000 0.745 108 E HN 0.447 nan 8.360 nan 0.000 0.458 109 E N 0.495 120.607 120.200 -0.148 0.000 2.072 109 E HA -0.173 4.176 4.350 -0.000 0.000 0.191 109 E C 2.124 178.675 176.600 -0.082 0.000 0.985 109 E CA 0.656 56.831 56.400 -0.375 0.000 0.801 109 E CB 0.010 29.296 29.700 -0.690 0.000 0.750 109 E HN 0.200 nan 8.360 nan 0.000 0.452 110 I N 1.379 121.940 120.570 -0.015 0.000 2.151 110 I HA -0.299 3.870 4.170 -0.000 0.000 0.243 110 I C 2.504 178.641 176.117 0.033 0.000 1.080 110 I CA 1.426 62.743 61.300 0.029 0.000 1.339 110 I CB -1.329 36.685 38.000 0.024 0.000 1.039 110 I HN 0.071 nan 8.210 nan 0.000 0.409 111 A N 0.574 123.405 122.820 0.019 0.000 1.902 111 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 111 A C 2.438 180.043 177.584 0.035 0.000 1.181 111 A CA 1.898 53.947 52.037 0.020 0.000 0.623 111 A CB -0.554 18.453 19.000 0.011 0.000 0.818 111 A HN 0.309 nan 8.150 nan 0.000 0.443 112 R N 0.101 120.633 120.500 0.054 0.000 2.092 112 R HA 0.018 4.358 4.340 -0.000 0.000 0.231 112 R C 1.857 178.223 176.300 0.109 0.000 1.119 112 R CA 1.475 57.633 56.100 0.096 0.000 0.970 112 R CB -0.771 29.629 30.300 0.167 0.000 0.864 112 R HN 0.523 nan 8.270 nan 0.000 0.440 113 L N 0.427 121.733 121.223 0.139 0.000 2.083 113 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 113 L C 2.303 179.188 176.870 0.024 0.000 1.083 113 L CA 1.453 56.347 54.840 0.091 0.000 0.752 113 L CB -0.490 41.635 42.059 0.110 0.000 0.899 113 L HN 0.177 nan 8.230 nan 0.000 0.433 114 K N 0.291 120.704 120.400 0.020 0.000 2.057 114 K HA -0.202 4.117 4.320 -0.000 0.000 0.207 114 K C 1.939 178.536 176.600 -0.005 0.000 1.049 114 K CA 1.437 57.723 56.287 -0.001 0.000 0.931 114 K CB -0.178 32.324 32.500 0.004 0.000 0.714 114 K HN 0.430 nan 8.250 nan 0.000 0.440 115 E N 0.823 121.027 120.200 0.006 0.000 2.077 115 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 115 E C 2.106 178.700 176.600 -0.011 0.000 0.989 115 E CA 0.944 57.344 56.400 0.000 0.000 0.800 115 E CB -0.050 29.655 29.700 0.009 0.000 0.746 115 E HN 0.209 nan 8.360 nan 0.000 0.452 116 L N 0.678 121.896 121.223 -0.009 0.000 2.179 116 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 116 L C 2.260 179.102 176.870 -0.047 0.000 1.096 116 L CA 0.696 55.520 54.840 -0.027 0.000 0.779 116 L CB -0.229 41.814 42.059 -0.026 0.000 0.922 116 L HN 0.120 nan 8.230 nan 0.000 0.443 117 E N 0.502 120.671 120.200 -0.051 0.000 2.058 117 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 117 E C 2.304 178.869 176.600 -0.059 0.000 0.997 117 E CA 1.395 57.753 56.400 -0.071 0.000 0.801 117 E CB -0.157 29.495 29.700 -0.079 0.000 0.746 117 E HN 0.511 nan 8.360 nan 0.000 0.450 118 A N 1.264 124.059 122.820 -0.042 0.000 1.933 118 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 118 A C 2.087 179.648 177.584 -0.037 0.000 1.175 118 A CA 1.654 53.670 52.037 -0.035 0.000 0.628 118 A CB -0.430 18.556 19.000 -0.024 0.000 0.814 118 A HN 0.071 nan 8.150 nan 0.000 0.444 119 R N -0.360 120.118 120.500 -0.037 0.000 2.092 119 R HA -0.105 4.234 4.340 -0.000 0.000 0.231 119 R C 2.024 178.295 176.300 -0.047 0.000 1.119 119 R CA 2.146 58.223 56.100 -0.038 0.000 0.970 119 R CB -0.285 29.993 30.300 -0.036 0.000 0.864 119 R HN 0.630 nan 8.270 nan 0.000 0.440 120 T N -4.579 109.940 114.554 -0.058 0.000 3.001 120 T HA 0.231 4.581 4.350 -0.000 0.000 0.251 120 T C 1.258 175.914 174.700 -0.073 0.000 1.040 120 T CA 0.265 62.324 62.100 -0.069 0.000 0.985 120 T CB 0.698 69.516 68.868 -0.083 0.000 1.011 120 T HN 0.337 nan 8.240 nan 0.000 0.509 121 G N 2.252 111.012 108.800 -0.068 0.000 2.203 121 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.263 121 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.263 121 G C 0.111 174.958 174.900 -0.088 0.000 1.012 121 G CA 0.082 45.141 45.100 -0.068 0.000 0.749 121 G HN 0.594 nan 8.290 nan 0.000 0.512 122 R N -0.981 119.453 120.500 -0.110 0.000 2.856 122 R HA 0.766 5.105 4.340 -0.000 0.000 0.258 122 R C 0.211 176.408 176.300 -0.171 0.000 1.066 122 R CA -0.837 55.175 56.100 -0.147 0.000 1.045 122 R CB 0.940 31.139 30.300 -0.168 0.000 1.178 122 R HN 0.187 nan 8.270 nan 0.000 0.499 123 R N 0.043 120.404 120.500 -0.232 0.000 2.750 123 R HA 0.494 4.834 4.340 -0.000 0.000 0.281 123 R C -0.928 175.086 176.300 -0.477 0.000 0.972 123 R CA -1.033 54.844 56.100 -0.371 0.000 0.912 123 R CB 2.051 32.084 30.300 -0.446 0.000 1.187 123 R HN 0.282 nan 8.270 nan 0.000 0.464 124 V N 3.814 123.412 119.914 -0.526 0.000 2.370 124 V HA 0.444 4.563 4.120 -0.000 0.000 0.283 124 V C -0.894 174.897 176.094 -0.504 0.000 1.023 124 V CA -0.588 61.489 62.300 -0.372 0.000 0.857 124 V CB 0.789 32.508 31.823 -0.174 0.000 0.985 124 V HN 0.537 nan 8.190 nan 0.000 0.443 125 Y N 1.909 122.229 120.300 0.034 0.000 2.630 125 Y HA 0.778 5.328 4.550 -0.000 0.000 0.337 125 Y C 0.470 176.389 175.900 0.032 0.000 1.051 125 Y CA -0.847 57.275 58.100 0.036 0.000 1.121 125 Y CB 2.354 40.829 38.460 0.025 0.000 1.299 125 Y HN 0.536 nan 8.280 nan 0.000 0.498 126 T N 0.170 114.869 114.554 0.242 0.000 2.883 126 T HA 0.555 4.905 4.350 -0.000 0.000 0.301 126 T C -1.844 172.925 174.700 0.116 0.000 1.158 126 T CA -0.616 61.561 62.100 0.130 0.000 1.007 126 T CB 0.983 69.904 68.868 0.089 0.000 1.186 126 T HN 0.342 nan 8.240 nan 0.000 0.499 127 V N 5.264 125.194 119.914 0.025 0.000 2.353 127 V HA 0.398 4.518 4.120 -0.000 0.000 0.264 127 V C -0.053 175.946 176.094 -0.158 0.000 1.049 127 V CA -0.275 61.984 62.300 -0.068 0.000 0.896 127 V CB 0.391 32.114 31.823 -0.167 0.000 1.025 127 V HN 0.639 nan 8.190 nan 0.000 0.475 128 L N 6.320 127.412 121.223 -0.218 0.000 2.506 128 L HA 0.300 4.640 4.340 -0.000 0.000 0.247 128 L C 1.616 178.181 176.870 -0.507 0.000 1.141 128 L CA -0.278 54.259 54.840 -0.505 0.000 0.973 128 L CB 1.017 42.516 42.059 -0.934 0.000 1.319 128 L HN 0.717 nan 8.230 nan 0.000 0.455 129 Q N 1.513 121.079 119.800 -0.391 0.000 2.230 129 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 129 Q C 1.655 177.499 176.000 -0.261 0.000 0.963 129 Q CA 1.286 56.904 55.803 -0.308 0.000 0.866 129 Q CB -0.036 28.500 28.738 -0.336 0.000 0.931 129 Q HN 0.648 nan 8.270 nan 0.000 0.452 130 L N 0.672 121.698 121.223 -0.328 0.000 2.127 130 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 130 L C 2.707 179.430 176.870 -0.245 0.000 1.089 130 L CA 1.481 56.198 54.840 -0.205 0.000 0.757 130 L CB -0.446 41.441 42.059 -0.287 0.000 0.899 130 L HN 0.219 nan 8.230 nan 0.000 0.434 131 R N -0.122 120.006 120.500 -0.621 0.000 2.237 131 R HA -0.089 4.251 4.340 -0.000 0.000 0.219 131 R C 1.720 177.847 176.300 -0.289 0.000 1.080 131 R CA 1.358 56.866 56.100 -0.986 0.000 0.995 131 R CB -0.227 29.093 30.300 -1.634 0.000 0.875 131 R HN 0.436 nan 8.270 nan 0.000 0.462 132 V N -2.924 116.955 119.914 -0.059 0.000 3.483 132 V HA 0.137 4.257 4.120 -0.000 0.000 0.301 132 V C 0.620 176.798 176.094 0.139 0.000 1.389 132 V CA -0.444 61.909 62.300 0.088 0.000 1.101 132 V CB -0.734 31.135 31.823 0.076 0.000 0.971 132 V HN 0.153 nan 8.190 nan 0.000 0.434 133 H N 1.325 120.421 119.070 0.042 0.000 2.707 133 H HA 0.258 4.814 4.556 -0.000 0.000 0.359 133 H C -1.734 173.659 175.328 0.109 0.000 1.113 133 H CA -1.290 54.805 56.048 0.079 0.000 1.422 133 H CB 1.983 31.814 29.762 0.116 0.000 1.443 133 H HN 0.064 nan 8.280 nan 0.000 0.591 134 P HA -0.161 nan 4.420 nan 0.000 0.214 134 P C 1.409 178.838 177.300 0.215 0.000 1.162 134 P CA 1.802 65.151 63.100 0.414 0.000 0.874 134 P CB 0.131 32.005 31.700 0.291 0.000 0.784 135 S N -1.296 114.388 115.700 -0.027 0.000 2.414 135 S HA -0.039 4.431 4.470 -0.000 0.000 0.227 135 S C 1.714 176.083 174.600 -0.386 0.000 1.022 135 S CA 0.810 58.817 58.200 -0.322 0.000 0.958 135 S CB -1.200 61.790 63.200 -0.349 0.000 0.797 135 S HN -0.126 nan 8.310 nan 0.000 0.493 136 L N 1.061 122.028 121.223 -0.425 0.000 2.179 136 L HA 0.334 4.674 4.340 -0.000 0.000 0.208 136 L C 2.298 179.253 176.870 0.142 0.000 1.096 136 L CA 1.008 55.881 54.840 0.056 0.000 0.779 136 L CB -0.858 41.431 42.059 0.383 0.000 0.922 136 L HN 0.280 nan 8.230 nan 0.000 0.443 137 L N -0.704 120.627 121.223 0.179 0.000 2.376 137 L HA -0.094 4.246 4.340 -0.000 0.000 0.219 137 L C 2.572 179.484 176.870 0.070 0.000 1.133 137 L CA 0.751 55.728 54.840 0.227 0.000 0.816 137 L CB -0.548 41.667 42.059 0.261 0.000 0.933 137 L HN 0.264 nan 8.230 nan 0.000 0.449 138 A N 0.090 122.925 122.820 0.026 0.000 1.855 138 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 138 A C 2.205 179.764 177.584 -0.042 0.000 1.191 138 A CA 1.286 53.319 52.037 -0.007 0.000 0.613 138 A CB -0.647 18.340 19.000 -0.022 0.000 0.829 138 A HN 0.298 nan 8.150 nan 0.000 0.442 139 L N -0.382 120.806 121.223 -0.058 0.000 1.978 139 L HA -0.306 4.034 4.340 -0.000 0.000 0.218 139 L C 2.744 179.521 176.870 -0.155 0.000 1.075 139 L CA 2.326 57.115 54.840 -0.085 0.000 0.767 139 L CB -0.515 41.501 42.059 -0.072 0.000 0.890 139 L HN 0.484 nan 8.230 nan 0.000 0.434 140 K N 0.014 120.258 120.400 -0.260 0.000 2.160 140 K HA -0.247 4.073 4.320 -0.000 0.000 0.206 140 K C 1.912 178.361 176.600 -0.251 0.000 1.047 140 K CA 1.780 57.821 56.287 -0.411 0.000 0.930 140 K CB 0.011 32.053 32.500 -0.764 0.000 0.720 140 K HN 0.390 nan 8.250 nan 0.000 0.450 141 E N -0.187 119.925 120.200 -0.146 0.000 2.028 141 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 141 E C 2.234 178.792 176.600 -0.070 0.000 0.984 141 E CA 0.816 57.163 56.400 -0.088 0.000 0.800 141 E CB 0.137 29.811 29.700 -0.043 0.000 0.758 141 E HN 0.228 nan 8.360 nan 0.000 0.448 142 R N 0.276 120.741 120.500 -0.059 0.000 2.109 142 R HA -0.186 4.154 4.340 -0.000 0.000 0.227 142 R C 2.361 178.637 176.300 -0.040 0.000 1.132 142 R CA 1.165 57.242 56.100 -0.039 0.000 0.907 142 R CB -0.719 29.564 30.300 -0.029 0.000 0.825 142 R HN 0.108 nan 8.270 nan 0.000 0.432 143 L N 0.315 121.509 121.223 -0.048 0.000 2.082 143 L HA -0.225 4.115 4.340 -0.000 0.000 0.223 143 L C 2.333 179.183 176.870 -0.034 0.000 1.086 143 L CA 2.339 57.164 54.840 -0.025 0.000 0.793 143 L CB -1.439 40.585 42.059 -0.058 0.000 0.896 143 L HN 0.490 nan 8.230 nan 0.000 0.441 144 G N -2.503 106.250 108.800 -0.080 0.000 2.559 144 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 144 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 144 G C 1.479 176.356 174.900 -0.038 0.000 1.126 144 G CA 0.387 45.444 45.100 -0.073 0.000 0.778 144 G HN 0.505 nan 8.290 nan 0.000 0.543 145 Q N -0.153 119.630 119.800 -0.028 0.000 2.389 145 Q HA 0.067 4.407 4.340 -0.000 0.000 0.204 145 Q C 0.264 176.262 176.000 -0.005 0.000 0.944 145 Q CA 0.378 56.172 55.803 -0.015 0.000 0.908 145 Q CB 0.265 28.995 28.738 -0.013 0.000 1.002 145 Q HN 0.656 nan 8.270 nan 0.000 0.493 146 E N 0.174 120.375 120.200 0.001 0.000 2.222 146 E HA 0.405 4.754 4.350 -0.000 0.000 0.267 146 E C -0.935 175.675 176.600 0.016 0.000 0.963 146 E CA -0.641 55.765 56.400 0.010 0.000 0.837 146 E CB 1.452 31.161 29.700 0.015 0.000 1.183 146 E HN -0.113 nan 8.360 nan 0.000 0.403 147 K N 0.424 120.834 120.400 0.016 0.000 2.185 147 K HA 0.773 5.093 4.320 -0.000 0.000 0.240 147 K C -0.290 176.323 176.600 0.021 0.000 0.983 147 K CA -0.795 55.504 56.287 0.019 0.000 0.873 147 K CB 1.769 34.278 32.500 0.014 0.000 1.118 147 K HN 0.752 nan 8.250 nan 0.000 0.441 148 G N -0.259 108.555 108.800 0.022 0.000 2.674 148 G HA2 0.184 4.144 3.960 -0.000 0.000 0.686 148 G HA3 0.184 4.144 3.960 -0.000 0.000 0.686 148 G C -0.834 174.075 174.900 0.014 0.000 1.195 148 G CA -0.678 44.432 45.100 0.016 0.000 0.776 148 G HN 0.707 nan 8.290 nan 0.000 0.654 149 A N 2.092 124.912 122.820 -0.001 0.000 2.498 149 A HA 0.573 4.892 4.320 -0.000 0.000 0.239 149 A C 0.741 178.292 177.584 -0.055 0.000 1.068 149 A CA 0.389 52.408 52.037 -0.029 0.000 0.766 149 A CB 0.297 19.280 19.000 -0.028 0.000 1.003 149 A HN 0.694 nan 8.150 nan 0.000 0.497 150 K N 1.528 121.847 120.400 -0.134 0.000 2.098 150 K HA 0.329 4.649 4.320 -0.000 0.000 0.258 150 K C -0.993 175.495 176.600 -0.187 0.000 0.973 150 K CA -0.564 55.628 56.287 -0.159 0.000 0.898 150 K CB 1.430 33.795 32.500 -0.225 0.000 1.057 150 K HN 0.747 nan 8.250 nan 0.000 0.447 151 D N 1.797 122.132 120.400 -0.109 0.000 2.381 151 D HA 0.294 4.934 4.640 -0.000 0.000 0.235 151 D C -1.180 175.083 176.300 -0.062 0.000 1.068 151 D CA -0.484 53.475 54.000 -0.067 0.000 0.832 151 D CB 1.284 42.073 40.800 -0.019 0.000 1.101 151 D HN 0.019 nan 8.370 nan 0.000 0.515 152 V N 3.438 123.314 119.914 -0.063 0.000 2.680 152 V HA 0.448 4.567 4.120 -0.000 0.000 0.309 152 V C 0.004 176.120 176.094 0.036 0.000 1.052 152 V CA -0.835 61.449 62.300 -0.028 0.000 0.908 152 V CB 2.202 33.981 31.823 -0.073 0.000 1.001 152 V HN 0.335 nan 8.190 nan 0.000 0.431 153 V N 5.479 125.414 119.914 0.035 0.000 2.444 153 V HA 0.481 4.601 4.120 -0.000 0.000 0.294 153 V C -0.677 175.454 176.094 0.062 0.000 1.022 153 V CA -0.578 61.748 62.300 0.043 0.000 0.850 153 V CB 1.785 33.573 31.823 -0.058 0.000 0.992 153 V HN 0.613 nan 8.190 nan 0.000 0.426 154 L N 5.064 126.367 121.223 0.134 0.000 2.333 154 L HA 0.782 5.122 4.340 -0.000 0.000 0.280 154 L C -0.507 176.398 176.870 0.058 0.000 1.004 154 L CA 0.309 55.156 54.840 0.012 0.000 0.820 154 L CB 1.800 43.848 42.059 -0.019 0.000 1.247 154 L HN 0.737 nan 8.230 nan 0.000 0.416 155 T N 5.336 119.838 114.554 -0.087 0.000 2.879 155 T HA 0.416 4.766 4.350 -0.000 0.000 0.290 155 T C -1.670 172.987 174.700 -0.071 0.000 0.993 155 T CA -0.269 61.796 62.100 -0.057 0.000 0.975 155 T CB 1.256 70.076 68.868 -0.079 0.000 0.981 155 T HN 0.411 nan 8.240 nan 0.000 0.439 156 Y N 3.344 123.582 120.300 -0.103 0.000 2.331 156 Y HA 0.606 5.156 4.550 -0.000 0.000 0.326 156 Y C -1.556 174.426 175.900 0.137 0.000 1.020 156 Y CA -1.254 56.809 58.100 -0.062 0.000 1.136 156 Y CB 1.036 39.425 38.460 -0.120 0.000 1.157 156 Y HN 0.434 nan 8.280 nan 0.000 0.444 157 V N 5.291 125.125 119.914 -0.134 0.000 2.409 157 V HA 0.572 4.691 4.120 -0.000 0.000 0.291 157 V C -0.406 175.426 176.094 -0.437 0.000 1.020 157 V CA -0.599 61.626 62.300 -0.126 0.000 0.848 157 V CB 1.723 33.703 31.823 0.262 0.000 0.990 157 V HN 0.769 nan 8.190 nan 0.000 0.430 158 T N 3.786 118.027 114.554 -0.521 0.000 2.985 158 T HA 0.548 4.898 4.350 -0.000 0.000 0.315 158 T C 0.234 174.794 174.700 -0.232 0.000 1.001 158 T CA -0.038 61.824 62.100 -0.396 0.000 1.016 158 T CB 0.512 69.063 68.868 -0.529 0.000 0.993 158 T HN 0.995 nan 8.240 nan 0.000 0.454 159 G N 4.322 113.049 108.800 -0.122 0.000 2.398 159 G HA2 0.495 4.455 3.960 -0.000 0.000 0.246 159 G HA3 0.495 4.455 3.960 -0.000 0.000 0.246 159 G C -0.363 174.452 174.900 -0.141 0.000 1.289 159 G CA -0.391 44.647 45.100 -0.104 0.000 0.869 159 G HN 0.643 nan 8.290 nan 0.000 0.543 160 R N 1.169 121.528 120.500 -0.236 0.000 2.575 160 R HA 0.456 4.796 4.340 -0.000 0.000 0.293 160 R C 0.613 176.737 176.300 -0.295 0.000 0.983 160 R CA -0.553 55.353 56.100 -0.324 0.000 0.887 160 R CB 1.741 31.579 30.300 -0.770 0.000 1.184 160 R HN 0.655 nan 8.270 nan 0.000 0.445 161 G N 1.123 109.817 108.800 -0.176 0.000 2.611 161 G HA2 0.025 3.985 3.960 -0.000 0.000 0.273 161 G HA3 0.025 3.985 3.960 -0.000 0.000 0.273 161 G C 0.641 175.320 174.900 -0.369 0.000 1.305 161 G CA -0.323 44.713 45.100 -0.108 0.000 1.010 161 G HN 0.327 nan 8.290 nan 0.000 0.509 162 K N -0.067 120.275 120.400 -0.097 0.000 2.283 162 K HA -0.059 4.261 4.320 -0.000 0.000 0.202 162 K C 2.196 178.751 176.600 -0.076 0.000 1.048 162 K CA 1.011 57.250 56.287 -0.080 0.000 0.948 162 K CB -0.206 32.308 32.500 0.022 0.000 0.742 162 K HN 0.861 nan 8.250 nan 0.000 0.458 163 W N 0.052 121.376 121.300 0.040 0.000 2.350 163 W HA -0.232 4.428 4.660 -0.000 0.000 0.289 163 W C 1.689 178.225 176.519 0.028 0.000 1.215 163 W CA 0.357 57.720 57.345 0.030 0.000 1.236 163 W CB -1.442 28.034 29.460 0.026 0.000 1.130 163 W HN 0.036 nan 8.180 nan 0.000 0.541 164 Y N 2.628 122.239 120.300 -1.149 0.000 2.181 164 Y HA -0.053 4.497 4.550 -0.000 0.000 0.288 164 Y C 2.841 178.475 175.900 -0.442 0.000 1.146 164 Y CA 2.855 60.331 58.100 -1.041 0.000 1.164 164 Y CB -0.807 36.901 38.460 -1.253 0.000 0.982 164 Y HN -0.065 nan 8.280 nan 0.000 0.515 165 G N -0.479 108.229 108.800 -0.153 0.000 2.625 165 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.214 165 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.214 165 G C 1.303 176.153 174.900 -0.083 0.000 1.132 165 G CA 0.551 45.596 45.100 -0.090 0.000 0.782 165 G HN 0.397 nan 8.290 nan 0.000 0.538 166 K N 0.154 120.513 120.400 -0.068 0.000 2.413 166 K HA 0.171 4.491 4.320 -0.000 0.000 0.204 166 K C 0.654 177.250 176.600 -0.007 0.000 1.041 166 K CA -0.041 56.239 56.287 -0.011 0.000 1.082 166 K CB 0.892 33.417 32.500 0.042 0.000 0.871 166 K HN 0.325 nan 8.250 nan 0.000 0.535 167 S N -0.535 115.104 115.700 -0.102 0.000 2.767 167 S HA 0.201 4.670 4.470 -0.000 0.000 0.300 167 S C 1.093 175.596 174.600 -0.161 0.000 1.123 167 S CA -1.090 57.047 58.200 -0.104 0.000 0.992 167 S CB 0.338 63.410 63.200 -0.212 0.000 1.138 167 S HN 0.447 nan 8.310 nan 0.000 0.550 168 W N 0.368 121.628 121.300 -0.066 0.000 2.468 168 W HA 0.016 4.676 4.660 -0.000 0.000 0.262 168 W C 0.745 177.179 176.519 -0.143 0.000 1.241 168 W CA 0.678 57.974 57.345 -0.083 0.000 1.232 168 W CB -0.864 28.579 29.460 -0.028 0.000 1.124 168 W HN 0.648 nan 8.180 nan 0.000 0.597 169 K N 1.287 121.068 120.400 -1.031 0.000 2.283 169 K HA -0.116 4.204 4.320 -0.000 0.000 0.202 169 K C 1.996 178.228 176.600 -0.613 0.000 1.048 169 K CA 1.786 57.372 56.287 -1.169 0.000 0.948 169 K CB -0.153 31.366 32.500 -1.635 0.000 0.742 169 K HN 0.229 nan 8.250 nan 0.000 0.458 170 V N -1.791 117.850 119.914 -0.455 0.000 3.647 170 V HA 0.083 4.203 4.120 -0.000 0.000 0.279 170 V C 0.118 176.163 176.094 -0.083 0.000 1.314 170 V CA -0.217 61.965 62.300 -0.198 0.000 1.125 170 V CB -0.115 31.622 31.823 -0.144 0.000 0.907 170 V HN 0.008 nan 8.190 nan 0.000 0.434 171 D N 1.539 121.908 120.400 -0.053 0.000 2.365 171 D HA 0.112 4.752 4.640 -0.000 0.000 0.237 171 D C 1.118 177.429 176.300 0.019 0.000 1.190 171 D CA 0.105 54.104 54.000 -0.001 0.000 0.867 171 D CB 1.555 42.367 40.800 0.020 0.000 1.050 171 D HN 0.503 nan 8.370 nan 0.000 0.491 172 E N 3.006 123.217 120.200 0.019 0.000 2.153 172 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 172 E C 1.558 178.188 176.600 0.050 0.000 0.988 172 E CA 1.032 57.453 56.400 0.034 0.000 0.811 172 E CB 0.166 29.891 29.700 0.043 0.000 0.746 172 E HN 0.590 nan 8.360 nan 0.000 0.466 173 A N 0.836 123.680 122.820 0.041 0.000 2.015 173 A HA -0.165 4.154 4.320 -0.000 0.000 0.219 173 A C 1.904 179.472 177.584 -0.026 0.000 1.163 173 A CA 1.342 53.407 52.037 0.046 0.000 0.646 173 A CB -0.139 18.872 19.000 0.017 0.000 0.806 173 A HN 0.129 nan 8.150 nan 0.000 0.448 174 K N -0.444 119.905 120.400 -0.086 0.000 2.202 174 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 174 K C 2.146 178.860 176.600 0.190 0.000 1.051 174 K CA 1.282 57.455 56.287 -0.191 0.000 0.977 174 K CB 0.028 32.397 32.500 -0.218 0.000 0.792 174 K HN 0.587 nan 8.250 nan 0.000 0.469 175 S N -1.151 114.698 115.700 0.248 0.000 2.497 175 S HA 0.181 4.651 4.470 -0.000 0.000 0.218 175 S C 1.500 176.165 174.600 0.108 0.000 1.023 175 S CA 0.439 58.832 58.200 0.321 0.000 0.913 175 S CB 0.824 64.120 63.200 0.161 0.000 0.800 175 S HN 0.384 nan 8.310 nan 0.000 0.505 176 G N 0.717 109.532 108.800 0.025 0.000 2.176 176 G HA2 0.252 4.212 3.960 -0.000 0.000 0.253 176 G HA3 0.252 4.212 3.960 -0.000 0.000 0.253 176 G C 1.047 175.920 174.900 -0.044 0.000 0.979 176 G CA 0.123 45.177 45.100 -0.077 0.000 0.641 176 G HN 1.947 nan 8.290 nan 0.000 0.530 177 G N -1.806 106.996 108.800 0.004 0.000 2.712 177 G HA2 0.157 4.116 3.960 -0.000 0.000 0.683 177 G HA3 0.157 4.116 3.960 -0.000 0.000 0.683 177 G C 0.505 175.426 174.900 0.035 0.000 1.320 177 G CA 0.096 45.204 45.100 0.013 0.000 0.847 177 G HN 1.495 nan 8.290 nan 0.000 0.553 178 L N 0.840 122.094 121.223 0.052 0.000 2.017 178 L HA 0.220 4.560 4.340 -0.000 0.000 0.208 178 L C 3.264 180.196 176.870 0.104 0.000 1.073 178 L CA 3.546 58.433 54.840 0.080 0.000 0.745 178 L CB -1.015 41.076 42.059 0.053 0.000 0.894 178 L HN 1.621 nan 8.230 nan 0.000 0.432 179 A N -1.821 121.060 122.820 0.100 0.000 1.940 179 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 179 A C 2.262 179.938 177.584 0.153 0.000 1.176 179 A CA 2.440 54.565 52.037 0.148 0.000 0.631 179 A CB -1.179 17.842 19.000 0.036 0.000 0.814 179 A HN 0.538 nan 8.150 nan 0.000 0.446 180 T N -0.248 114.339 114.554 0.055 0.000 2.732 180 T HA -0.116 4.234 4.350 -0.000 0.000 0.261 180 T C 1.986 176.748 174.700 0.103 0.000 1.040 180 T CA 1.569 63.696 62.100 0.046 0.000 1.145 180 T CB -0.417 68.425 68.868 -0.042 0.000 0.866 180 T HN 0.613 nan 8.240 nan 0.000 0.427 181 N N 0.597 119.359 118.700 0.103 0.000 2.188 181 N HA -0.044 4.696 4.740 -0.000 0.000 0.184 181 N C 1.601 177.203 175.510 0.153 0.000 1.018 181 N CA 1.033 54.159 53.050 0.128 0.000 0.858 181 N CB -0.150 38.392 38.487 0.091 0.000 0.989 181 N HN 0.228 nan 8.380 nan 0.000 0.426 182 I N -0.505 120.173 120.570 0.180 0.000 2.368 182 I HA 0.106 4.276 4.170 -0.000 0.000 0.238 182 I C 2.428 178.742 176.117 0.329 0.000 1.076 182 I CA 1.133 62.587 61.300 0.256 0.000 1.397 182 I CB -1.810 36.331 38.000 0.235 0.000 1.141 182 I HN 0.164 nan 8.210 nan 0.000 0.430 183 G N 1.676 110.653 108.800 0.295 0.000 2.545 183 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.222 183 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.222 183 G C 1.786 176.798 174.900 0.187 0.000 1.126 183 G CA 1.116 46.380 45.100 0.273 0.000 0.754 183 G HN 0.357 nan 8.290 nan 0.000 0.583 184 I N 1.159 121.876 120.570 0.245 0.000 2.361 184 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 184 I C 2.692 178.829 176.117 0.034 0.000 1.133 184 I CA 1.898 63.309 61.300 0.186 0.000 1.413 184 I CB -0.199 37.863 38.000 0.103 0.000 1.073 184 I HN 0.489 nan 8.210 nan 0.000 0.424 185 H N -0.519 118.385 119.070 -0.276 0.000 2.421 185 H HA -0.160 4.396 4.556 -0.000 0.000 0.298 185 H C 1.741 176.693 175.328 -0.626 0.000 1.087 185 H CA 1.758 57.500 56.048 -0.510 0.000 1.330 185 H CB -1.300 28.078 29.762 -0.639 0.000 1.388 185 H HN 0.367 nan 8.280 nan 0.000 0.526 186 F N 0.258 119.806 119.950 -0.670 0.000 2.387 186 F HA 0.104 4.630 4.527 -0.000 0.000 0.294 186 F C 2.066 177.481 175.800 -0.643 0.000 1.093 186 F CA 0.096 57.629 58.000 -0.779 0.000 1.420 186 F CB -0.678 37.764 39.000 -0.930 0.000 1.086 186 F HN -0.005 nan 8.300 nan 0.000 0.531 187 F N 0.589 120.473 119.950 -0.110 0.000 2.171 187 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 187 F C 2.255 177.999 175.800 -0.093 0.000 1.090 187 F CA 1.372 59.287 58.000 -0.142 0.000 1.293 187 F CB -1.167 37.706 39.000 -0.211 0.000 1.013 187 F HN 0.018 nan 8.300 nan 0.000 0.486 188 D N 0.128 120.533 120.400 0.008 0.000 2.117 188 D HA -0.174 4.465 4.640 -0.000 0.000 0.198 188 D C 2.191 178.472 176.300 -0.032 0.000 0.982 188 D CA 0.734 54.709 54.000 -0.042 0.000 0.828 188 D CB -0.121 40.599 40.800 -0.132 0.000 0.967 188 D HN 0.106 nan 8.370 nan 0.000 0.464 189 L N 0.310 121.483 121.223 -0.083 0.000 2.012 189 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 189 L C 2.076 178.998 176.870 0.086 0.000 1.073 189 L CA 1.609 56.466 54.840 0.029 0.000 0.748 189 L CB -0.562 41.468 42.059 -0.048 0.000 0.891 189 L HN 0.216 nan 8.230 nan 0.000 0.431 190 L N -0.835 120.429 121.223 0.068 0.000 2.046 190 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 190 L C 2.657 179.621 176.870 0.157 0.000 1.077 190 L CA 1.189 56.129 54.840 0.166 0.000 0.747 190 L CB -0.977 41.201 42.059 0.198 0.000 0.896 190 L HN 0.384 nan 8.230 nan 0.000 0.432 191 A N -0.769 122.129 122.820 0.129 0.000 1.930 191 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 191 A C 1.997 179.654 177.584 0.121 0.000 1.175 191 A CA 1.219 53.327 52.037 0.118 0.000 0.627 191 A CB -0.935 18.121 19.000 0.093 0.000 0.815 191 A HN 0.599 nan 8.150 nan 0.000 0.443 192 W N 0.798 122.040 121.300 -0.097 0.000 2.335 192 W HA -0.167 4.493 4.660 -0.000 0.000 0.311 192 W C 1.767 178.170 176.519 -0.193 0.000 1.213 192 W CA 1.944 59.211 57.345 -0.130 0.000 1.274 192 W CB -0.568 28.796 29.460 -0.160 0.000 1.148 192 W HN 0.255 nan 8.180 nan 0.000 0.498 193 L N -1.343 119.673 121.223 -0.345 0.000 2.095 193 L HA -0.088 4.252 4.340 -0.000 0.000 0.204 193 L C 1.603 178.000 176.870 -0.788 0.000 1.080 193 L CA 0.976 55.290 54.840 -0.876 0.000 0.759 193 L CB -0.612 40.616 42.059 -1.386 0.000 0.914 193 L HN -0.135 nan 8.230 nan 0.000 0.439 194 F N -1.000 118.929 119.950 -0.034 0.000 2.798 194 F HA 0.471 4.998 4.527 -0.000 0.000 0.328 194 F C 1.223 177.022 175.800 -0.001 0.000 1.098 194 F CA 0.015 58.003 58.000 -0.020 0.000 1.172 194 F CB 0.022 39.017 39.000 -0.008 0.000 1.072 194 F HN 0.064 nan 8.300 nan 0.000 0.555 195 G N 1.315 110.193 108.800 0.131 0.000 2.542 195 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.235 195 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.235 195 G C -0.230 174.726 174.900 0.094 0.000 1.286 195 G CA -0.541 44.617 45.100 0.097 0.000 0.904 195 G HN 0.405 nan 8.290 nan 0.000 0.577 196 R N 0.687 121.229 120.500 0.070 0.000 2.543 196 R HA 0.555 4.895 4.340 -0.000 0.000 0.277 196 R C 0.610 176.939 176.300 0.049 0.000 1.074 196 R CA 0.237 56.369 56.100 0.054 0.000 1.076 196 R CB 0.334 30.660 30.300 0.043 0.000 0.993 196 R HN 1.462 nan 8.270 nan 0.000 0.459 197 A N 5.743 128.583 122.820 0.032 0.000 2.310 197 A HA 0.229 4.549 4.320 -0.000 0.000 0.300 197 A C 0.772 178.372 177.584 0.026 0.000 1.269 197 A CA -0.490 51.558 52.037 0.019 0.000 0.909 197 A CB 0.226 19.218 19.000 -0.015 0.000 1.144 197 A HN 0.906 nan 8.150 nan 0.000 0.540 198 L N 1.118 122.370 121.223 0.047 0.000 2.477 198 L HA 0.159 4.499 4.340 -0.000 0.000 0.220 198 L C 0.609 177.561 176.870 0.137 0.000 1.106 198 L CA 0.438 55.322 54.840 0.073 0.000 0.851 198 L CB -0.150 41.950 42.059 0.068 0.000 0.994 198 L HN 0.883 nan 8.230 nan 0.000 0.462 199 H N -0.937 118.133 119.070 -0.000 0.000 2.954 199 H HA 0.582 5.138 4.556 -0.000 0.000 0.361 199 H C -1.609 173.723 175.328 0.006 0.000 1.122 199 H CA -0.695 55.364 56.048 0.019 0.000 1.217 199 H CB 1.812 31.599 29.762 0.042 0.000 1.776 199 H HN -0.300 nan 8.280 nan 0.000 0.533 200 V N 4.901 124.507 119.914 -0.513 0.000 2.623 200 V HA 0.389 4.508 4.120 -0.000 0.000 0.304 200 V C -0.700 175.185 176.094 -0.348 0.000 1.054 200 V CA -0.714 61.403 62.300 -0.306 0.000 0.882 200 V CB 1.811 33.540 31.823 -0.157 0.000 1.002 200 V HN 0.830 nan 8.190 nan 0.000 0.424 201 E N 2.863 122.962 120.200 -0.169 0.000 2.317 201 E HA 0.720 5.070 4.350 -0.000 0.000 0.270 201 E C -1.624 174.878 176.600 -0.163 0.000 0.885 201 E CA -0.834 55.508 56.400 -0.096 0.000 0.760 201 E CB 3.112 32.857 29.700 0.076 0.000 1.227 201 E HN 0.400 nan 8.360 nan 0.000 0.434 202 V N 2.372 122.213 119.914 -0.121 0.000 2.409 202 V HA 0.207 4.326 4.120 -0.000 0.000 0.291 202 V C -0.090 175.942 176.094 -0.103 0.000 1.020 202 V CA -0.431 61.773 62.300 -0.160 0.000 0.848 202 V CB 1.094 32.915 31.823 -0.005 0.000 0.990 202 V HN 0.789 nan 8.190 nan 0.000 0.430 203 H N 2.612 121.608 119.070 -0.124 0.000 2.639 203 H HA 0.651 5.206 4.556 -0.000 0.000 0.267 203 H C 0.664 175.943 175.328 -0.081 0.000 0.958 203 H CA 0.529 56.521 56.048 -0.094 0.000 1.221 203 H CB 1.049 30.741 29.762 -0.116 0.000 1.446 203 H HN 0.694 nan 8.280 nan 0.000 0.512 204 A N 1.115 123.923 122.820 -0.020 0.000 2.488 204 A HA 0.608 4.928 4.320 -0.000 0.000 0.295 204 A C -1.027 176.520 177.584 -0.062 0.000 1.045 204 A CA -0.677 51.337 52.037 -0.037 0.000 0.703 204 A CB 1.422 20.389 19.000 -0.056 0.000 1.271 204 A HN 0.296 nan 8.150 nan 0.000 0.400 205 R N 1.784 122.270 120.500 -0.024 0.000 2.850 205 R HA 0.475 4.814 4.340 -0.000 0.000 0.266 205 R C -0.396 175.901 176.300 -0.005 0.000 1.782 205 R CA 0.452 56.546 56.100 -0.009 0.000 1.310 205 R CB 0.959 31.269 30.300 0.016 0.000 1.337 205 R HN 1.015 nan 8.270 nan 0.000 0.546 206 T N -1.378 113.165 114.554 -0.018 0.000 2.883 206 T HA 0.527 4.876 4.350 -0.000 0.000 0.284 206 T C -2.054 172.643 174.700 -0.006 0.000 1.041 206 T CA -1.706 60.392 62.100 -0.003 0.000 1.007 206 T CB 1.719 70.590 68.868 0.006 0.000 1.220 206 T HN 0.069 nan 8.240 nan 0.000 0.552 207 P HA 0.123 nan 4.420 nan 0.000 0.233 207 P C 1.049 178.342 177.300 -0.011 0.000 1.167 207 P CA 0.707 63.808 63.100 0.003 0.000 0.770 207 P CB -0.085 31.618 31.700 0.005 0.000 0.837 208 T N -5.430 109.112 114.554 -0.021 0.000 3.043 208 T HA 0.303 4.653 4.350 -0.000 0.000 0.272 208 T C 0.211 174.857 174.700 -0.090 0.000 0.990 208 T CA -0.181 61.891 62.100 -0.046 0.000 0.897 208 T CB -0.078 68.790 68.868 0.001 0.000 1.111 208 T HN -0.229 nan 8.240 nan 0.000 0.529 209 V N 1.656 121.495 119.914 -0.125 0.000 2.686 209 V HA 0.504 4.624 4.120 -0.000 0.000 0.306 209 V C -1.231 174.711 176.094 -0.253 0.000 1.065 209 V CA -1.025 61.087 62.300 -0.315 0.000 0.894 209 V CB 2.000 33.607 31.823 -0.359 0.000 1.004 209 V HN 0.390 nan 8.190 nan 0.000 0.424 210 N N 2.051 120.577 118.700 -0.289 0.000 2.258 210 N HA 0.848 5.588 4.740 -0.000 0.000 0.299 210 N C -0.887 174.450 175.510 -0.290 0.000 1.047 210 N CA -0.365 52.620 53.050 -0.109 0.000 0.814 210 N CB 2.516 41.116 38.487 0.187 0.000 1.413 210 N HN 0.876 nan 8.380 nan 0.000 0.478 211 A N 1.029 123.535 122.820 -0.524 0.000 2.572 211 A HA 0.952 5.271 4.320 -0.000 0.000 0.295 211 A C -0.523 176.240 177.584 -1.368 0.000 1.072 211 A CA -0.457 50.997 52.037 -0.972 0.000 0.691 211 A CB 1.899 20.632 19.000 -0.445 0.000 1.291 211 A HN 0.763 nan 8.150 nan 0.000 0.404 212 G N -1.027 106.568 108.800 -2.008 0.000 2.435 212 G HA2 0.560 4.520 3.960 -0.000 0.000 0.296 212 G HA3 0.560 4.520 3.960 -0.000 0.000 0.296 212 G C -2.168 172.093 174.900 -1.066 0.000 1.240 212 G CA -0.073 44.080 45.100 -1.579 0.000 0.872 212 G HN 1.800 nan 8.290 nan 0.000 0.480 213 Y N -0.228 119.772 120.300 -0.499 0.000 2.441 213 Y HA 0.740 5.290 4.550 -0.000 0.000 0.334 213 Y C -1.492 174.536 175.900 0.214 0.000 1.061 213 Y CA -1.034 57.065 58.100 -0.001 0.000 1.032 213 Y CB 1.556 40.077 38.460 0.103 0.000 1.266 213 Y HN 0.551 nan 8.280 nan 0.000 0.441 214 L N 5.147 126.206 121.223 -0.273 0.000 2.362 214 L HA 0.620 4.960 4.340 -0.000 0.000 0.271 214 L C -0.982 175.562 176.870 -0.543 0.000 1.002 214 L CA -0.936 53.748 54.840 -0.261 0.000 0.818 214 L CB 2.424 44.478 42.059 -0.009 0.000 1.298 214 L HN 0.602 nan 8.230 nan 0.000 0.420 215 E N 3.347 123.392 120.200 -0.257 0.000 2.155 215 E HA 0.559 4.909 4.350 -0.000 0.000 0.264 215 E C -1.176 175.402 176.600 -0.037 0.000 0.886 215 E CA -0.479 55.834 56.400 -0.145 0.000 0.752 215 E CB 2.277 31.967 29.700 -0.018 0.000 1.133 215 E HN 0.352 nan 8.360 nan 0.000 0.414 216 L N 2.204 123.407 121.223 -0.035 0.000 2.332 216 L HA 0.301 4.640 4.340 -0.000 0.000 0.269 216 L C 1.500 178.388 176.870 0.030 0.000 1.016 216 L CA -0.544 54.310 54.840 0.023 0.000 0.809 216 L CB 1.142 43.245 42.059 0.073 0.000 1.280 216 L HN 0.649 nan 8.230 nan 0.000 0.447 217 E N 1.529 121.764 120.200 0.058 0.000 2.114 217 E HA -0.192 4.157 4.350 -0.000 0.000 0.199 217 E C 1.455 178.088 176.600 0.054 0.000 1.008 217 E CA 1.671 58.103 56.400 0.054 0.000 0.810 217 E CB 0.041 29.778 29.700 0.062 0.000 0.739 217 E HN 0.909 nan 8.360 nan 0.000 0.456 218 G N -0.870 107.984 108.800 0.091 0.000 3.159 218 G HA2 0.483 4.442 3.960 -0.000 0.000 0.232 218 G HA3 0.483 4.442 3.960 -0.000 0.000 0.232 218 G C -0.151 174.699 174.900 -0.083 0.000 1.116 218 G CA 0.375 45.535 45.100 0.100 0.000 0.767 218 G HN 0.309 nan 8.290 nan 0.000 0.547 219 A N 0.364 123.062 122.820 -0.204 0.000 2.599 219 A HA 0.696 5.016 4.320 -0.000 0.000 0.294 219 A C -0.752 176.686 177.584 -0.243 0.000 1.055 219 A CA -1.021 50.764 52.037 -0.420 0.000 0.683 219 A CB 0.936 19.221 19.000 -1.192 0.000 1.278 219 A HN 0.401 nan 8.150 nan 0.000 0.412 220 R N 0.443 120.838 120.500 -0.175 0.000 2.540 220 R HA 0.816 5.156 4.340 -0.000 0.000 0.287 220 R C -1.406 174.846 176.300 -0.081 0.000 0.980 220 R CA -0.628 55.405 56.100 -0.112 0.000 0.966 220 R CB 1.517 31.863 30.300 0.076 0.000 1.106 220 R HN 0.418 nan 8.270 nan 0.000 0.480 221 V N 3.078 122.945 119.914 -0.079 0.000 2.524 221 V HA 0.385 4.504 4.120 -0.000 0.000 0.297 221 V C -0.309 175.958 176.094 0.288 0.000 1.035 221 V CA -0.886 61.469 62.300 0.093 0.000 0.867 221 V CB 1.668 33.564 31.823 0.121 0.000 1.004 221 V HN 0.743 nan 8.190 nan 0.000 0.426 222 R N 5.402 126.111 120.500 0.347 0.000 2.265 222 R HA 0.539 4.879 4.340 -0.000 0.000 0.319 222 R C -0.890 175.682 176.300 0.453 0.000 1.006 222 R CA -0.351 55.979 56.100 0.384 0.000 0.880 222 R CB 1.371 31.820 30.300 0.247 0.000 1.077 222 R HN 0.834 nan 8.270 nan 0.000 0.454 223 W N 3.254 124.740 121.300 0.309 0.000 2.950 223 W HA 0.585 5.245 4.660 -0.000 0.000 0.340 223 W C -1.916 174.604 176.519 0.001 0.000 1.139 223 W CA -1.466 55.985 57.345 0.177 0.000 1.188 223 W CB 0.763 30.295 29.460 0.119 0.000 1.426 223 W HN 0.453 nan 8.180 nan 0.000 0.531 224 F N 2.935 122.771 119.950 -0.189 0.000 2.588 224 F HA 0.652 5.178 4.527 -0.000 0.000 0.318 224 F C -1.798 173.931 175.800 -0.117 0.000 1.155 224 F CA -0.854 56.873 58.000 -0.455 0.000 0.967 224 F CB 1.358 39.597 39.000 -1.269 0.000 1.236 224 F HN 0.270 nan 8.300 nan 0.000 0.455 225 L N 5.279 126.292 121.223 -0.350 0.000 2.385 225 L HA 0.713 5.052 4.340 -0.000 0.000 0.273 225 L C -0.636 175.979 176.870 -0.426 0.000 0.990 225 L CA -0.752 54.009 54.840 -0.131 0.000 0.821 225 L CB 2.025 44.161 42.059 0.129 0.000 1.279 225 L HN 0.653 nan 8.230 nan 0.000 0.412 226 S N 1.885 117.450 115.700 -0.226 0.000 2.550 226 S HA 0.559 5.029 4.470 -0.000 0.000 0.270 226 S C -0.024 174.491 174.600 -0.141 0.000 1.145 226 S CA -0.644 57.434 58.200 -0.203 0.000 0.852 226 S CB 1.696 64.828 63.200 -0.112 0.000 1.119 226 S HN 0.595 nan 8.310 nan 0.000 0.465 227 I N -0.017 120.456 120.570 -0.161 0.000 3.941 227 I HA 0.496 4.666 4.170 -0.000 0.000 0.335 227 I C 0.006 176.041 176.117 -0.137 0.000 1.402 227 I CA -0.303 60.850 61.300 -0.245 0.000 1.112 227 I CB 0.164 37.868 38.000 -0.493 0.000 1.043 227 I HN 0.339 nan 8.210 nan 0.000 0.395 228 D N 3.938 124.357 120.400 0.032 0.000 2.359 228 D HA 0.238 4.878 4.640 -0.000 0.000 0.230 228 D C -1.521 174.864 176.300 0.142 0.000 1.118 228 D CA -2.586 51.474 54.000 0.099 0.000 0.844 228 D CB 1.758 42.693 40.800 0.224 0.000 1.059 228 D HN 0.047 nan 8.370 nan 0.000 0.493 229 P HA -0.101 nan 4.420 nan 0.000 0.234 229 P C 1.065 178.368 177.300 0.005 0.000 1.167 229 P CA 0.421 63.544 63.100 0.039 0.000 0.763 229 P CB 0.109 31.811 31.700 0.002 0.000 0.835 230 S N -1.138 114.513 115.700 -0.081 0.000 2.474 230 S HA -0.086 4.383 4.470 -0.000 0.000 0.235 230 S C 1.437 175.843 174.600 -0.323 0.000 0.997 230 S CA 0.511 58.574 58.200 -0.229 0.000 0.949 230 S CB -1.400 61.603 63.200 -0.329 0.000 0.766 230 S HN -0.010 nan 8.310 nan 0.000 0.517 231 F N 1.727 121.681 119.950 0.007 0.000 2.797 231 F HA 0.367 4.893 4.527 -0.000 0.000 0.302 231 F C 0.811 176.608 175.800 -0.005 0.000 1.130 231 F CA -0.517 57.479 58.000 -0.007 0.000 1.387 231 F CB -0.195 38.946 39.000 0.236 0.000 1.107 231 F HN -0.023 nan 8.300 nan 0.000 0.577 232 V N 2.926 122.921 119.914 0.135 0.000 2.599 232 V HA -0.001 4.119 4.120 -0.000 0.000 0.300 232 V C -1.802 174.231 176.094 -0.102 0.000 1.034 232 V CA -1.542 60.795 62.300 0.062 0.000 1.115 232 V CB 0.074 31.927 31.823 0.051 0.000 0.934 232 V HN -0.086 nan 8.190 nan 0.000 0.485 233 P HA -0.026 nan 4.420 nan 0.000 0.265 233 P C 0.916 178.109 177.300 -0.178 0.000 1.187 233 P CA 0.152 63.098 63.100 -0.257 0.000 0.766 233 P CB 0.502 31.994 31.700 -0.347 0.000 0.820 234 E N 4.780 124.884 120.200 -0.159 0.000 2.171 234 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 234 E C -0.952 175.599 176.600 -0.083 0.000 0.997 234 E CA 2.054 58.385 56.400 -0.116 0.000 0.810 234 E CB -1.540 28.093 29.700 -0.111 0.000 0.738 234 E HN 0.356 nan 8.360 nan 0.000 0.467 235 P HA -0.047 nan 4.420 nan 0.000 0.223 235 P C 1.357 178.635 177.300 -0.037 0.000 1.151 235 P CA 0.916 63.986 63.100 -0.050 0.000 0.787 235 P CB -0.026 31.648 31.700 -0.043 0.000 0.788 236 L N -1.580 119.613 121.223 -0.050 0.000 2.221 236 L HA 0.118 4.457 4.340 -0.000 0.000 0.202 236 L C 2.679 179.539 176.870 -0.017 0.000 1.074 236 L CA 0.634 55.462 54.840 -0.020 0.000 0.795 236 L CB -0.439 41.609 42.059 -0.019 0.000 0.960 236 L HN -0.205 nan 8.230 nan 0.000 0.458 237 R N 1.201 121.677 120.500 -0.040 0.000 2.096 237 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 237 R C 2.462 178.743 176.300 -0.031 0.000 1.127 237 R CA 1.475 57.553 56.100 -0.036 0.000 0.968 237 R CB -0.084 30.177 30.300 -0.064 0.000 0.861 237 R HN 0.358 nan 8.270 nan 0.000 0.440 238 R N 0.045 120.523 120.500 -0.036 0.000 2.241 238 R HA -0.134 4.205 4.340 -0.000 0.000 0.224 238 R C 1.242 177.533 176.300 -0.015 0.000 1.101 238 R CA 1.534 57.617 56.100 -0.029 0.000 0.995 238 R CB -0.168 30.113 30.300 -0.031 0.000 0.870 238 R HN 0.367 nan 8.270 nan 0.000 0.463 239 Q N 0.008 119.803 119.800 -0.008 0.000 2.392 239 Q HA 0.180 4.520 4.340 -0.000 0.000 0.203 239 Q C 0.632 176.637 176.000 0.008 0.000 0.917 239 Q CA 0.386 56.191 55.803 0.003 0.000 0.939 239 Q CB 1.074 29.819 28.738 0.012 0.000 1.063 239 Q HN 0.674 nan 8.270 nan 0.000 0.516 240 G N 1.583 110.386 108.800 0.005 0.000 2.157 240 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.239 240 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.239 240 G C -0.134 174.779 174.900 0.022 0.000 0.982 240 G CA -0.274 44.833 45.100 0.011 0.000 0.650 240 G HN 0.171 nan 8.290 nan 0.000 0.527 241 K N -0.228 120.189 120.400 0.028 0.000 2.270 241 K HA 0.549 4.869 4.320 -0.000 0.000 0.276 241 K C 1.170 177.799 176.600 0.048 0.000 1.023 241 K CA -0.239 56.077 56.287 0.048 0.000 0.955 241 K CB 0.647 33.185 32.500 0.064 0.000 0.975 241 K HN 0.220 nan 8.250 nan 0.000 0.471 242 R N 0.635 121.172 120.500 0.060 0.000 2.508 242 R HA 0.136 4.475 4.340 -0.000 0.000 0.300 242 R C -0.437 175.900 176.300 0.062 0.000 0.970 242 R CA 0.054 56.184 56.100 0.050 0.000 1.102 242 R CB 1.145 31.467 30.300 0.036 0.000 1.246 242 R HN 0.499 nan 8.270 nan 0.000 0.539 243 T N -0.342 114.278 114.554 0.109 0.000 2.900 243 T HA 0.433 4.783 4.350 -0.000 0.000 0.303 243 T C -2.018 172.854 174.700 0.287 0.000 1.142 243 T CA -0.523 61.660 62.100 0.138 0.000 1.007 243 T CB 2.177 71.126 68.868 0.135 0.000 1.156 243 T HN 0.059 nan 8.240 nan 0.000 0.490 244 Y N 1.360 121.756 120.300 0.160 0.000 2.314 244 Y HA 0.571 5.121 4.550 -0.000 0.000 0.317 244 Y C -1.313 174.796 175.900 0.348 0.000 1.234 244 Y CA -0.875 57.359 58.100 0.224 0.000 1.111 244 Y CB 1.216 39.796 38.460 0.201 0.000 1.283 244 Y HN 0.623 nan 8.280 nan 0.000 0.418 245 R N 4.388 124.788 120.500 -0.168 0.000 2.734 245 R HA 0.543 4.883 4.340 -0.000 0.000 0.268 245 R C -1.690 174.504 176.300 -0.178 0.000 1.785 245 R CA -0.178 55.931 56.100 0.014 0.000 1.461 245 R CB 0.751 31.224 30.300 0.290 0.000 1.308 245 R HN 0.541 nan 8.270 nan 0.000 0.586 246 S N 3.758 119.204 115.700 -0.423 0.000 2.532 246 S HA 0.564 5.034 4.470 -0.000 0.000 0.299 246 S C -0.899 173.609 174.600 -0.154 0.000 1.105 246 S CA -0.732 57.301 58.200 -0.277 0.000 1.018 246 S CB 1.119 64.047 63.200 -0.453 0.000 1.021 246 S HN 0.558 nan 8.310 nan 0.000 0.483 247 I N 4.376 124.960 120.570 0.024 0.000 2.439 247 I HA 0.733 4.902 4.170 -0.000 0.000 0.285 247 I C -0.567 175.589 176.117 0.065 0.000 1.021 247 I CA -0.634 60.693 61.300 0.046 0.000 1.091 247 I CB 1.286 39.366 38.000 0.134 0.000 1.242 247 I HN 0.834 nan 8.210 nan 0.000 0.439 248 A N 7.393 130.240 122.820 0.045 0.000 2.271 248 A HA 0.707 5.027 4.320 -0.000 0.000 0.317 248 A C -1.126 176.486 177.584 0.046 0.000 1.245 248 A CA -0.450 51.613 52.037 0.044 0.000 0.857 248 A CB 1.254 20.274 19.000 0.034 0.000 1.175 248 A HN 0.477 nan 8.150 nan 0.000 0.512 249 V N 3.336 123.283 119.914 0.054 0.000 2.350 249 V HA 0.308 4.427 4.120 -0.000 0.000 0.285 249 V C -0.473 175.640 176.094 0.031 0.000 1.014 249 V CA -0.431 61.902 62.300 0.055 0.000 0.831 249 V CB 0.875 32.767 31.823 0.115 0.000 1.000 249 V HN 0.989 nan 8.190 nan 0.000 0.433 250 D N 4.639 125.045 120.400 0.010 0.000 2.686 250 D HA -0.197 4.443 4.640 -0.000 0.000 0.235 250 D C 1.366 177.673 176.300 0.012 0.000 1.160 250 D CA 1.746 55.749 54.000 0.006 0.000 0.645 250 D CB -1.038 39.767 40.800 0.009 0.000 1.039 250 D HN 1.355 nan 8.370 nan 0.000 0.423 251 G N -0.263 108.545 108.800 0.013 0.000 2.205 251 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.261 251 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.261 251 G C 0.181 175.094 174.900 0.022 0.000 0.980 251 G CA 0.519 45.628 45.100 0.016 0.000 0.632 251 G HN 0.520 nan 8.290 nan 0.000 0.533 252 E N 0.823 121.037 120.200 0.023 0.000 2.109 252 E HA 0.532 4.881 4.350 -0.000 0.000 0.278 252 E C 0.121 176.737 176.600 0.026 0.000 0.954 252 E CA -0.441 55.973 56.400 0.023 0.000 0.779 252 E CB 0.642 30.354 29.700 0.020 0.000 1.093 252 E HN 0.429 nan 8.360 nan 0.000 0.401 253 E N 2.231 122.446 120.200 0.025 0.000 2.319 253 E HA 0.363 4.713 4.350 -0.000 0.000 0.268 253 E C -1.196 175.397 176.600 -0.011 0.000 1.050 253 E CA -0.716 55.698 56.400 0.024 0.000 0.878 253 E CB 1.079 30.808 29.700 0.047 0.000 1.066 253 E HN 0.225 nan 8.360 nan 0.000 0.406 254 V N 2.351 122.242 119.914 -0.039 0.000 2.577 254 V HA 0.311 4.431 4.120 -0.000 0.000 0.303 254 V C -0.649 175.342 176.094 -0.173 0.000 1.042 254 V CA -0.978 61.228 62.300 -0.157 0.000 0.872 254 V CB 1.442 33.084 31.823 -0.301 0.000 0.998 254 V HN 0.749 nan 8.190 nan 0.000 0.423 255 E N 2.733 122.842 120.200 -0.151 0.000 2.191 255 E HA 0.558 4.908 4.350 -0.000 0.000 0.274 255 E C -0.913 175.632 176.600 -0.092 0.000 0.948 255 E CA -0.382 55.983 56.400 -0.058 0.000 0.802 255 E CB 1.674 31.406 29.700 0.052 0.000 1.137 255 E HN 0.469 nan 8.360 nan 0.000 0.397 256 F N 2.223 122.219 119.950 0.077 0.000 2.661 256 F HA 0.241 4.768 4.527 -0.000 0.000 0.306 256 F C 1.493 177.469 175.800 0.294 0.000 1.094 256 F CA -0.073 58.035 58.000 0.180 0.000 1.254 256 F CB 0.708 39.832 39.000 0.208 0.000 1.040 256 F HN 0.492 nan 8.300 nan 0.000 0.562 257 S N -0.234 115.693 115.700 0.379 0.000 2.406 257 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 257 S C 1.917 176.721 174.600 0.341 0.000 1.020 257 S CA 0.898 59.303 58.200 0.342 0.000 0.965 257 S CB -0.069 63.281 63.200 0.249 0.000 0.798 257 S HN 0.329 nan 8.310 nan 0.000 0.488 258 E N 1.593 121.967 120.200 0.291 0.000 2.005 258 E HA -0.095 4.255 4.350 -0.000 0.000 0.198 258 E C 1.700 178.428 176.600 0.215 0.000 1.010 258 E CA 1.204 57.737 56.400 0.220 0.000 0.825 258 E CB -0.869 28.933 29.700 0.169 0.000 0.769 258 E HN 0.477 nan 8.360 nan 0.000 0.456 259 G N -0.073 108.846 108.800 0.199 0.000 3.741 259 G HA2 0.182 4.141 3.960 -0.000 0.000 0.263 259 G HA3 0.182 4.141 3.960 -0.000 0.000 0.263 259 G C 0.381 175.354 174.900 0.122 0.000 1.175 259 G CA -0.448 44.666 45.100 0.023 0.000 1.642 259 G HN 0.086 nan 8.290 nan 0.000 0.644 260 F N 0.175 120.199 119.950 0.122 0.000 2.559 260 F HA 0.140 4.667 4.527 -0.000 0.000 0.286 260 F C 1.824 177.697 175.800 0.122 0.000 1.108 260 F CA 0.567 58.657 58.000 0.151 0.000 1.436 260 F CB 1.001 40.120 39.000 0.197 0.000 1.130 260 F HN 0.119 nan 8.300 nan 0.000 0.584 261 T N -0.151 114.624 114.554 0.370 0.000 3.287 261 T HA 0.083 4.433 4.350 -0.000 0.000 0.253 261 T C 0.250 175.024 174.700 0.124 0.000 0.975 261 T CA 0.163 62.421 62.100 0.264 0.000 0.912 261 T CB -0.073 68.932 68.868 0.229 0.000 1.071 261 T HN 0.160 nan 8.240 nan 0.000 0.578 262 D N 0.530 120.987 120.400 0.096 0.000 2.504 262 D HA 0.203 4.843 4.640 -0.000 0.000 0.276 262 D C 0.974 177.291 176.300 0.030 0.000 1.073 262 D CA 0.282 54.306 54.000 0.040 0.000 0.905 262 D CB 0.499 41.299 40.800 0.001 0.000 1.350 262 D HN 0.242 nan 8.370 nan 0.000 0.496 263 L N 0.112 121.358 121.223 0.039 0.000 3.014 263 L HA 0.284 4.623 4.340 -0.000 0.000 0.263 263 L C 1.124 177.988 176.870 -0.011 0.000 1.207 263 L CA -0.026 54.806 54.840 -0.012 0.000 1.017 263 L CB 0.170 42.188 42.059 -0.068 0.000 1.360 263 L HN -0.086 nan 8.230 nan 0.000 0.560 264 H N -0.142 118.873 119.070 -0.091 0.000 2.352 264 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 264 H C 2.045 177.355 175.328 -0.030 0.000 1.097 264 H CA 2.205 58.202 56.048 -0.085 0.000 1.311 264 H CB -0.223 29.413 29.762 -0.211 0.000 1.377 264 H HN 0.227 nan 8.280 nan 0.000 0.504 265 T N 0.020 114.584 114.554 0.016 0.000 2.708 265 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 265 T C 1.928 176.639 174.700 0.019 0.000 1.037 265 T CA 1.610 63.691 62.100 -0.033 0.000 1.146 265 T CB -0.189 68.640 68.868 -0.065 0.000 0.865 265 T HN 0.325 nan 8.240 nan 0.000 0.435 266 E N 1.110 121.313 120.200 0.005 0.000 2.085 266 E HA -0.107 4.242 4.350 -0.000 0.000 0.194 266 E C 2.104 178.695 176.600 -0.015 0.000 0.994 266 E CA 0.975 57.373 56.400 -0.004 0.000 0.801 266 E CB -0.735 28.962 29.700 -0.005 0.000 0.743 266 E HN 0.284 nan 8.360 nan 0.000 0.453 267 V N 0.146 120.058 119.914 -0.002 0.000 2.332 267 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 267 V C 1.995 178.041 176.094 -0.081 0.000 1.055 267 V CA 2.117 64.393 62.300 -0.040 0.000 1.038 267 V CB -0.720 31.085 31.823 -0.030 0.000 0.651 267 V HN 0.363 nan 8.190 nan 0.000 0.450 268 Y N 0.034 120.244 120.300 -0.150 0.000 2.145 268 Y HA -0.250 4.300 4.550 -0.000 0.000 0.286 268 Y C 2.832 178.636 175.900 -0.161 0.000 1.145 268 Y CA 2.159 60.163 58.100 -0.160 0.000 1.148 268 Y CB -0.222 38.147 38.460 -0.150 0.000 0.981 268 Y HN 0.060 nan 8.280 nan 0.000 0.507 269 R N 0.953 121.474 120.500 0.035 0.000 2.083 269 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 269 R C 2.046 178.288 176.300 -0.097 0.000 1.137 269 R CA 1.985 58.071 56.100 -0.023 0.000 0.951 269 R CB -0.203 30.088 30.300 -0.015 0.000 0.851 269 R HN 0.286 nan 8.270 nan 0.000 0.434 270 K N -0.705 119.606 120.400 -0.149 0.000 2.063 270 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 270 K C 2.047 178.454 176.600 -0.321 0.000 1.048 270 K CA 2.107 58.255 56.287 -0.232 0.000 0.928 270 K CB -0.111 32.196 32.500 -0.321 0.000 0.713 270 K HN 0.274 nan 8.250 nan 0.000 0.442 271 T N 1.846 116.166 114.554 -0.389 0.000 2.746 271 T HA -0.081 4.268 4.350 -0.000 0.000 0.267 271 T C 1.794 176.271 174.700 -0.371 0.000 1.039 271 T CA 0.983 62.750 62.100 -0.555 0.000 1.142 271 T CB -0.135 68.373 68.868 -0.599 0.000 0.866 271 T HN 0.120 nan 8.240 nan 0.000 0.444 272 L N 0.633 121.721 121.223 -0.226 0.000 2.275 272 L HA 0.061 4.401 4.340 -0.000 0.000 0.215 272 L C 2.697 179.528 176.870 -0.064 0.000 1.119 272 L CA 0.708 55.491 54.840 -0.095 0.000 0.790 272 L CB -0.478 41.558 42.059 -0.039 0.000 0.919 272 L HN 0.238 nan 8.230 nan 0.000 0.443 273 A N -0.564 122.195 122.820 -0.102 0.000 2.251 273 A HA 0.331 4.651 4.320 -0.000 0.000 0.209 273 A C 1.699 179.233 177.584 -0.083 0.000 1.187 273 A CA 0.694 52.686 52.037 -0.075 0.000 0.823 273 A CB -0.196 18.759 19.000 -0.076 0.000 0.846 273 A HN 0.477 nan 8.150 nan 0.000 0.486 274 G N -0.637 108.088 108.800 -0.124 0.000 2.132 274 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.234 274 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.234 274 G C 0.050 174.873 174.900 -0.128 0.000 0.989 274 G CA 0.370 45.412 45.100 -0.098 0.000 0.676 274 G HN 0.581 nan 8.290 nan 0.000 0.522 275 E N 0.195 120.264 120.200 -0.217 0.000 2.609 275 E HA 0.420 4.770 4.350 -0.000 0.000 0.208 275 E C 1.387 177.714 176.600 -0.455 0.000 1.013 275 E CA 0.010 56.263 56.400 -0.244 0.000 1.093 275 E CB 0.683 30.259 29.700 -0.207 0.000 1.129 275 E HN 0.496 nan 8.360 nan 0.000 0.450 276 G N 0.267 108.739 108.800 -0.547 0.000 2.580 276 G HA2 0.274 4.234 3.960 -0.000 0.000 0.278 276 G HA3 0.274 4.234 3.960 -0.000 0.000 0.278 276 G C -0.528 174.102 174.900 -0.450 0.000 1.212 276 G CA -0.553 44.089 45.100 -0.764 0.000 0.939 276 G HN 0.055 nan 8.290 nan 0.000 0.513 277 F N 0.795 120.756 119.950 0.019 0.000 2.375 277 F HA 0.489 5.016 4.527 -0.000 0.000 0.362 277 F C 1.066 176.992 175.800 0.210 0.000 1.129 277 F CA -0.555 57.484 58.000 0.065 0.000 1.154 277 F CB 0.943 39.908 39.000 -0.059 0.000 1.205 277 F HN 0.527 nan 8.300 nan 0.000 0.513 278 G N 2.540 111.535 108.800 0.325 0.000 2.583 278 G HA2 0.407 4.367 3.960 -0.000 0.000 0.280 278 G HA3 0.407 4.367 3.960 -0.000 0.000 0.280 278 G C 0.897 175.845 174.900 0.081 0.000 1.376 278 G CA -0.774 44.417 45.100 0.153 0.000 1.043 278 G HN 0.599 nan 8.290 nan 0.000 0.538 279 L N -0.422 120.806 121.223 0.008 0.000 2.046 279 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 279 L C 2.385 179.276 176.870 0.036 0.000 1.077 279 L CA 1.199 56.048 54.840 0.016 0.000 0.747 279 L CB -0.229 41.826 42.059 -0.006 0.000 0.896 279 L HN 0.361 nan 8.230 nan 0.000 0.432 280 D N -0.210 120.216 120.400 0.044 0.000 2.144 280 D HA -0.157 4.483 4.640 -0.000 0.000 0.200 280 D C 2.157 178.497 176.300 0.067 0.000 0.978 280 D CA 1.005 55.036 54.000 0.051 0.000 0.833 280 D CB 0.000 40.834 40.800 0.056 0.000 0.961 280 D HN 0.283 nan 8.370 nan 0.000 0.470 281 E N 0.552 120.806 120.200 0.091 0.000 2.106 281 E HA 0.003 4.352 4.350 -0.000 0.000 0.192 281 E C 1.947 178.571 176.600 0.040 0.000 0.984 281 E CA 1.047 57.502 56.400 0.092 0.000 0.806 281 E CB -0.206 29.589 29.700 0.158 0.000 0.750 281 E HN 0.215 nan 8.360 nan 0.000 0.458 282 A N 0.496 123.341 122.820 0.041 0.000 2.072 282 A HA 0.188 4.508 4.320 -0.000 0.000 0.216 282 A C 2.226 179.816 177.584 0.010 0.000 1.156 282 A CA 1.103 53.147 52.037 0.011 0.000 0.701 282 A CB -0.381 18.635 19.000 0.028 0.000 0.816 282 A HN 0.250 nan 8.150 nan 0.000 0.458 283 A N 0.235 123.067 122.820 0.021 0.000 1.930 283 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 283 A C 1.941 179.530 177.584 0.009 0.000 1.175 283 A CA 2.011 54.057 52.037 0.017 0.000 0.627 283 A CB -0.389 18.625 19.000 0.023 0.000 0.815 283 A HN 0.528 nan 8.150 nan 0.000 0.443 284 E N 0.498 120.708 120.200 0.017 0.000 2.051 284 E HA -0.070 4.279 4.350 -0.000 0.000 0.192 284 E C 1.980 178.578 176.600 -0.002 0.000 0.991 284 E CA 1.721 58.130 56.400 0.014 0.000 0.799 284 E CB -0.521 29.198 29.700 0.033 0.000 0.748 284 E HN 0.439 nan 8.360 nan 0.000 0.449 285 A N 0.455 123.277 122.820 0.004 0.000 1.933 285 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 285 A C 2.353 179.911 177.584 -0.043 0.000 1.175 285 A CA 1.539 53.578 52.037 0.003 0.000 0.628 285 A CB -0.736 18.280 19.000 0.025 0.000 0.814 285 A HN 0.383 nan 8.150 nan 0.000 0.444 286 I N -1.111 119.434 120.570 -0.041 0.000 2.226 286 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 286 I C 2.684 178.747 176.117 -0.090 0.000 1.100 286 I CA 1.587 62.843 61.300 -0.073 0.000 1.374 286 I CB -0.272 37.699 38.000 -0.049 0.000 1.057 286 I HN 0.361 nan 8.210 nan 0.000 0.413 287 R N 0.693 121.162 120.500 -0.052 0.000 2.081 287 R HA -0.145 4.194 4.340 -0.000 0.000 0.235 287 R C 2.274 178.522 176.300 -0.085 0.000 1.131 287 R CA 1.549 57.625 56.100 -0.040 0.000 0.960 287 R CB -0.122 30.169 30.300 -0.014 0.000 0.856 287 R HN 0.168 nan 8.270 nan 0.000 0.436 288 V N 0.910 120.750 119.914 -0.124 0.000 2.358 288 V HA -0.194 3.925 4.120 -0.000 0.000 0.246 288 V C 2.468 178.367 176.094 -0.325 0.000 1.047 288 V CA 1.888 64.058 62.300 -0.216 0.000 1.035 288 V CB -0.681 30.989 31.823 -0.255 0.000 0.658 288 V HN 0.528 nan 8.190 nan 0.000 0.452 289 A N -0.034 122.593 122.820 -0.322 0.000 1.930 289 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 289 A C 2.406 179.820 177.584 -0.283 0.000 1.175 289 A CA 1.899 53.728 52.037 -0.346 0.000 0.627 289 A CB -0.678 18.178 19.000 -0.241 0.000 0.815 289 A HN 0.556 nan 8.150 nan 0.000 0.443 290 A N -0.163 122.507 122.820 -0.250 0.000 1.933 290 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 290 A C 2.148 179.696 177.584 -0.059 0.000 1.175 290 A CA 1.427 53.330 52.037 -0.223 0.000 0.628 290 A CB -0.560 18.377 19.000 -0.105 0.000 0.814 290 A HN 0.472 nan 8.150 nan 0.000 0.444 291 L N -0.543 120.639 121.223 -0.069 0.000 2.046 291 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 291 L C 2.426 179.252 176.870 -0.073 0.000 1.077 291 L CA 1.035 55.847 54.840 -0.048 0.000 0.747 291 L CB -0.571 41.447 42.059 -0.068 0.000 0.896 291 L HN 0.365 nan 8.230 nan 0.000 0.432 292 L N 0.036 121.165 121.223 -0.157 0.000 2.265 292 L HA -0.181 4.159 4.340 -0.000 0.000 0.215 292 L C 2.683 179.519 176.870 -0.056 0.000 1.117 292 L CA 1.132 55.895 54.840 -0.129 0.000 0.782 292 L CB -0.564 41.315 42.059 -0.301 0.000 0.914 292 L HN 0.432 nan 8.230 nan 0.000 0.441 293 R N -0.314 120.147 120.500 -0.065 0.000 2.280 293 R HA -0.010 4.330 4.340 -0.000 0.000 0.195 293 R C 1.704 178.031 176.300 0.045 0.000 0.935 293 R CA 1.186 57.277 56.100 -0.015 0.000 1.033 293 R CB -0.215 30.055 30.300 -0.051 0.000 0.964 293 R HN 0.309 nan 8.270 nan 0.000 0.489 294 T N -1.934 112.654 114.554 0.057 0.000 2.978 294 T HA 0.297 4.647 4.350 -0.000 0.000 0.248 294 T C 0.854 175.585 174.700 0.053 0.000 1.018 294 T CA -0.424 61.727 62.100 0.086 0.000 1.026 294 T CB 0.042 68.996 68.868 0.144 0.000 1.032 294 T HN 0.009 nan 8.240 nan 0.000 0.485 295 L N 3.593 124.836 121.223 0.034 0.000 2.461 295 L HA 0.333 4.672 4.340 -0.000 0.000 0.272 295 L C -1.774 175.114 176.870 0.030 0.000 1.197 295 L CA -1.925 52.931 54.840 0.026 0.000 0.836 295 L CB 0.148 42.212 42.059 0.009 0.000 1.105 295 L HN 0.180 nan 8.230 nan 0.000 0.477 296 P HA 0.124 nan 4.420 nan 0.000 0.272 296 P C -0.562 176.761 177.300 0.039 0.000 1.223 296 P CA -0.446 62.674 63.100 0.034 0.000 0.784 296 P CB 0.627 32.347 31.700 0.034 0.000 0.923 297 L N 1.342 122.589 121.223 0.041 0.000 2.506 297 L HA 0.135 4.475 4.340 -0.000 0.000 0.281 297 L C 1.144 178.055 176.870 0.068 0.000 1.228 297 L CA 0.658 55.529 54.840 0.053 0.000 0.850 297 L CB -0.068 42.019 42.059 0.046 0.000 1.110 297 L HN 0.578 nan 8.230 nan 0.000 0.496 298 S N 1.054 116.818 115.700 0.107 0.000 2.595 298 S HA 0.439 4.909 4.470 -0.000 0.000 0.281 298 S C -0.883 173.780 174.600 0.105 0.000 1.117 298 S CA -1.055 57.210 58.200 0.109 0.000 0.873 298 S CB 1.893 65.175 63.200 0.136 0.000 1.108 298 S HN 0.516 nan 8.310 nan 0.000 0.477 299 Q N 2.132 121.951 119.800 0.033 0.000 2.295 299 Q HA 0.457 4.797 4.340 -0.000 0.000 0.259 299 Q C -2.352 173.566 176.000 -0.137 0.000 0.976 299 Q CA -1.448 54.326 55.803 -0.048 0.000 0.923 299 Q CB 0.533 29.251 28.738 -0.034 0.000 1.185 299 Q HN 0.530 nan 8.270 nan 0.000 0.410 300 P HA 0.046 nan 4.420 nan 0.000 0.271 300 P C -0.806 176.334 177.300 -0.266 0.000 1.216 300 P CA -0.256 62.519 63.100 -0.541 0.000 0.776 300 P CB 1.037 32.145 31.700 -0.986 0.000 0.881 301 S N 2.639 118.220 115.700 -0.200 0.000 2.573 301 S HA 0.104 4.574 4.470 -0.000 0.000 0.277 301 S C -1.550 172.950 174.600 -0.167 0.000 1.346 301 S CA -0.691 57.418 58.200 -0.152 0.000 1.034 301 S CB -0.356 62.766 63.200 -0.129 0.000 0.879 301 S HN 0.261 nan 8.310 nan 0.000 0.528 302 P HA -0.179 nan 4.420 nan 0.000 0.216 302 P C 1.407 178.640 177.300 -0.111 0.000 1.154 302 P CA 1.675 64.716 63.100 -0.100 0.000 0.865 302 P CB 0.017 31.674 31.700 -0.070 0.000 0.789 303 E N -1.167 118.959 120.200 -0.123 0.000 2.204 303 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 303 E C 1.012 177.492 176.600 -0.199 0.000 0.989 303 E CA 0.905 57.229 56.400 -0.127 0.000 0.824 303 E CB -0.227 29.405 29.700 -0.115 0.000 0.756 303 E HN 0.137 nan 8.360 nan 0.000 0.477 304 N N 0.297 118.821 118.700 -0.294 0.000 2.205 304 N HA 0.017 4.757 4.740 -0.000 0.000 0.201 304 N C -0.250 175.149 175.510 -0.184 0.000 1.128 304 N CA 0.023 52.771 53.050 -0.504 0.000 0.867 304 N CB 0.372 38.369 38.487 -0.817 0.000 0.996 304 N HN 0.072 nan 8.380 nan 0.000 0.503 305 R N 1.247 121.669 120.500 -0.130 0.000 2.265 305 R HA 0.069 4.408 4.340 -0.000 0.000 0.314 305 R C -0.173 176.162 176.300 0.059 0.000 1.053 305 R CA -0.407 55.668 56.100 -0.041 0.000 0.931 305 R CB 0.436 30.673 30.300 -0.105 0.000 1.024 305 R HN 0.113 nan 8.270 nan 0.000 0.457 306 H N 5.857 124.960 119.070 0.055 0.000 2.897 306 H HA 0.041 4.596 4.556 -0.000 0.000 0.347 306 H C -1.784 173.568 175.328 0.039 0.000 1.068 306 H CA -1.232 54.838 56.048 0.038 0.000 1.426 306 H CB 1.568 31.358 29.762 0.046 0.000 1.410 306 H HN 0.518 nan 8.280 nan 0.000 0.597 307 P HA -0.146 nan 4.420 nan 0.000 0.219 307 P C 1.109 178.588 177.300 0.299 0.000 1.146 307 P CA 1.013 64.132 63.100 0.033 0.000 0.808 307 P CB 0.002 31.675 31.700 -0.045 0.000 0.779 308 F N -1.323 118.713 119.950 0.144 0.000 2.604 308 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 308 F C 1.589 177.354 175.800 -0.059 0.000 1.131 308 F CA -0.249 57.664 58.000 -0.146 0.000 1.457 308 F CB -1.167 37.299 39.000 -0.889 0.000 1.095 308 F HN -0.107 nan 8.300 nan 0.000 0.574 309 L N 0.000 121.383 121.223 0.267 0.000 2.949 309 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 309 L CA 0.000 54.975 54.840 0.225 0.000 0.813 309 L CB 0.000 42.176 42.059 0.196 0.000 0.961 309 L HN 0.000 nan 8.230 nan 0.000 0.502