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 3ibg_1_C DATA FIRST_RESID 12 DATA SEQUENCE LMEPTLQSIL SQKTLRWIFV GGKGGVGKTT TSCSLAIQLA KVRKSVLLIS DATA SEQUENCE TDPAHNLSDA FGQKFGKEAR LVDGYSNLSA MEIDPNGSIQ DLLASXXXXX DATA SEQUENCE XXXXXXXXXX XXXQDLAFSI PGVDEAMSFA EVLKQVKSLS YEVIVFDTAP DATA SEQUENCE TGHTLRFLQF PTVLEKALAK LSQLSSQFXX XXXSILGARG GLPGGQNIDE DATA SEQUENCE LLQKMESLRE TISEVNTQFK NPDMTTFVCV CIAEFLSLYE TERMIQELTS DATA SEQUENCE YGIDTHAIVV NQLLFPXXXX GCEQCNARRK MQKKYLEQIE ELYEDFNVVR DATA SEQUENCE MPLLVEEVRG KEKLEKFSEM LVHPYVP 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.896 176.870 0.043 0.000 1.165 12 L CA 0.000 54.864 54.840 0.041 0.000 0.813 12 L CB 0.000 42.083 42.059 0.040 0.000 0.961 13 M N 2.333 121.968 119.600 0.058 0.000 2.134 13 M HA 0.195 4.675 4.480 0.000 0.000 0.249 13 M C -0.657 175.684 176.300 0.070 0.000 0.955 13 M CA -0.530 54.807 55.300 0.063 0.000 1.037 13 M CB 1.757 34.408 32.600 0.086 0.000 2.110 13 M HN 0.547 nan 8.290 nan 0.000 0.449 14 E N 3.397 123.627 120.200 0.049 0.000 2.492 14 E HA -0.009 4.341 4.350 0.000 0.000 0.266 14 E C -2.357 174.277 176.600 0.056 0.000 1.047 14 E CA -0.558 55.868 56.400 0.043 0.000 0.968 14 E CB 0.051 29.764 29.700 0.021 0.000 0.960 14 E HN 0.249 nan 8.360 nan 0.000 0.452 15 P HA 0.192 nan 4.420 nan 0.000 0.225 15 P C -1.189 176.136 177.300 0.042 0.000 1.768 15 P CA 0.022 63.161 63.100 0.064 0.000 0.943 15 P CB 0.049 31.793 31.700 0.072 0.000 1.936 16 T N 0.325 114.898 114.554 0.033 0.000 2.956 16 T HA 0.293 4.643 4.350 0.000 0.000 0.312 16 T C 0.642 175.352 174.700 0.018 0.000 1.151 16 T CA -0.506 61.597 62.100 0.006 0.000 1.024 16 T CB 1.412 70.260 68.868 -0.032 0.000 1.140 16 T HN -0.036 nan 8.240 nan 0.000 0.473 17 L N 2.018 123.244 121.223 0.005 0.000 2.672 17 L HA 0.171 4.511 4.340 0.000 0.000 0.236 17 L C 2.417 179.294 176.870 0.012 0.000 1.186 17 L CA 0.253 55.099 54.840 0.011 0.000 0.977 17 L CB -0.246 41.812 42.059 -0.000 0.000 1.203 17 L HN 0.752 nan 8.230 nan 0.000 0.448 18 Q N 0.510 120.308 119.800 -0.003 0.000 2.079 18 Q HA -0.186 4.154 4.340 0.000 0.000 0.200 18 Q C 2.344 178.352 176.000 0.013 0.000 0.974 18 Q CA 1.925 57.720 55.803 -0.014 0.000 0.840 18 Q CB 0.168 28.876 28.738 -0.050 0.000 0.898 18 Q HN 0.620 nan 8.270 nan 0.000 0.430 19 S N 0.120 115.841 115.700 0.036 0.000 2.402 19 S HA -0.186 4.284 4.470 0.000 0.000 0.233 19 S C 1.838 176.481 174.600 0.072 0.000 1.030 19 S CA 1.307 59.536 58.200 0.050 0.000 1.003 19 S CB -0.511 62.731 63.200 0.069 0.000 0.813 19 S HN 0.440 nan 8.310 nan 0.000 0.477 20 I N 1.216 121.842 120.570 0.094 0.000 2.235 20 I HA -0.037 4.133 4.170 0.000 0.000 0.241 20 I C 2.280 178.423 176.117 0.044 0.000 1.085 20 I CA 0.902 62.254 61.300 0.088 0.000 1.378 20 I CB -0.363 37.676 38.000 0.065 0.000 1.076 20 I HN 0.242 nan 8.210 nan 0.000 0.415 21 L N 0.116 121.355 121.223 0.027 0.000 2.261 21 L HA -0.189 4.151 4.340 0.000 0.000 0.216 21 L C 2.273 179.152 176.870 0.015 0.000 1.114 21 L CA 0.959 55.809 54.840 0.016 0.000 0.777 21 L CB -0.502 41.565 42.059 0.013 0.000 0.910 21 L HN 0.185 nan 8.230 nan 0.000 0.440 22 S N -1.768 113.942 115.700 0.018 0.000 2.503 22 S HA 0.025 4.495 4.470 0.000 0.000 0.217 22 S C 0.704 175.313 174.600 0.014 0.000 0.999 22 S CA 0.082 58.290 58.200 0.013 0.000 0.914 22 S CB 0.042 63.247 63.200 0.009 0.000 0.782 22 S HN 0.413 nan 8.310 nan 0.000 0.520 23 Q N 1.507 121.320 119.800 0.022 0.000 2.307 23 Q HA 0.188 4.528 4.340 0.000 0.000 0.261 23 Q C 0.220 176.229 176.000 0.015 0.000 1.051 23 Q CA 0.205 56.021 55.803 0.022 0.000 0.911 23 Q CB 0.513 29.274 28.738 0.038 0.000 1.227 23 Q HN 0.269 nan 8.270 nan 0.000 0.418 24 K N 0.736 121.142 120.400 0.010 0.000 2.404 24 K HA -0.011 4.309 4.320 0.000 0.000 0.194 24 K C 1.408 178.009 176.600 0.002 0.000 1.023 24 K CA 0.675 56.964 56.287 0.003 0.000 1.094 24 K CB 0.487 32.988 32.500 0.001 0.000 0.841 24 K HN 0.602 nan 8.250 nan 0.000 0.523 25 T N -1.611 112.951 114.554 0.013 0.000 3.060 25 T HA 0.196 4.546 4.350 0.000 0.000 0.249 25 T C 0.742 175.459 174.700 0.028 0.000 1.079 25 T CA -0.281 61.831 62.100 0.020 0.000 1.013 25 T CB 0.012 68.899 68.868 0.030 0.000 0.975 25 T HN -0.043 nan 8.240 nan 0.000 0.518 26 L N 1.865 123.104 121.223 0.027 0.000 2.455 26 L HA 0.335 4.675 4.340 0.000 0.000 0.272 26 L C 1.549 178.404 176.870 -0.025 0.000 1.174 26 L CA -0.087 54.773 54.840 0.034 0.000 0.869 26 L CB 0.699 42.780 42.059 0.037 0.000 1.130 26 L HN 0.180 nan 8.230 nan 0.000 0.474 27 R N 1.839 122.313 120.500 -0.043 0.000 2.383 27 R HA 0.121 4.461 4.340 0.000 0.000 0.205 27 R C -0.751 175.288 176.300 -0.434 0.000 0.875 27 R CA 0.015 55.962 56.100 -0.255 0.000 1.039 27 R CB 0.522 30.642 30.300 -0.299 0.000 1.267 27 R HN 0.483 nan 8.270 nan 0.000 0.635 28 W N 1.692 122.992 121.300 0.001 0.000 2.362 28 W HA 0.501 5.161 4.660 -0.000 0.000 0.316 28 W C -0.750 175.647 176.519 -0.204 0.000 1.024 28 W CA -0.436 56.838 57.345 -0.118 0.000 1.270 28 W CB 1.070 30.497 29.460 -0.054 0.000 1.273 28 W HN -0.158 nan 8.180 nan 0.000 0.424 29 I N 4.887 125.423 120.570 -0.057 0.000 2.464 29 I HA 0.241 4.411 4.170 0.000 0.000 0.277 29 I C -0.459 175.555 176.117 -0.172 0.000 1.040 29 I CA -0.857 60.397 61.300 -0.077 0.000 1.153 29 I CB 0.251 38.221 38.000 -0.050 0.000 1.274 29 I HN 0.163 nan 8.210 nan 0.000 0.469 30 F N 5.017 124.864 119.950 -0.172 0.000 2.496 30 F HA 0.293 4.820 4.527 -0.000 0.000 0.344 30 F C 0.561 175.993 175.800 -0.612 0.000 1.155 30 F CA -0.065 57.673 58.000 -0.436 0.000 1.302 30 F CB 0.801 39.321 39.000 -0.800 0.000 1.159 30 F HN 0.023 nan 8.300 nan 0.000 0.595 31 V N 1.387 121.099 119.914 -0.336 0.000 2.524 31 V HA 0.746 4.866 4.120 0.000 0.000 0.297 31 V C -0.096 175.854 176.094 -0.241 0.000 1.035 31 V CA -0.675 61.434 62.300 -0.317 0.000 0.867 31 V CB 1.446 33.208 31.823 -0.102 0.000 1.004 31 V HN 0.946 nan 8.190 nan 0.000 0.426 32 G N 2.002 110.688 108.800 -0.191 0.000 2.667 32 G HA2 0.838 4.798 3.960 0.000 0.000 0.298 32 G HA3 0.838 4.798 3.960 0.000 0.000 0.298 32 G C -0.545 174.449 174.900 0.156 0.000 1.377 32 G CA -0.436 44.744 45.100 0.133 0.000 0.964 32 G HN 1.224 nan 8.290 nan 0.000 0.493 33 G N 0.267 109.125 108.800 0.097 0.000 2.405 33 G HA2 0.451 4.411 3.960 0.000 0.000 0.312 33 G HA3 0.451 4.411 3.960 0.000 0.000 0.312 33 G C -1.352 173.558 174.900 0.018 0.000 1.579 33 G CA -0.787 44.338 45.100 0.043 0.000 0.933 33 G HN 0.572 nan 8.290 nan 0.000 0.628 34 K N 0.792 121.188 120.400 -0.008 0.000 2.159 34 K HA 0.603 4.923 4.320 0.000 0.000 0.266 34 K C 0.859 177.450 176.600 -0.015 0.000 0.975 34 K CA 0.293 56.572 56.287 -0.012 0.000 0.865 34 K CB 1.269 33.751 32.500 -0.030 0.000 1.087 34 K HN 1.841 nan 8.250 nan 0.000 0.446 35 G N 2.267 111.062 108.800 -0.008 0.000 2.270 35 G HA2 -0.135 3.825 3.960 0.000 0.000 0.224 35 G HA3 -0.135 3.825 3.960 0.000 0.000 0.224 35 G C 0.508 175.401 174.900 -0.011 0.000 1.079 35 G CA 0.142 45.237 45.100 -0.008 0.000 0.807 35 G HN 1.195 nan 8.290 nan 0.000 0.492 36 G N -1.970 106.824 108.800 -0.010 0.000 2.273 36 G HA2 -0.016 3.944 3.960 0.000 0.000 0.280 36 G HA3 -0.016 3.944 3.960 0.000 0.000 0.280 36 G C 1.462 176.350 174.900 -0.020 0.000 1.047 36 G CA 1.440 46.531 45.100 -0.015 0.000 0.869 36 G HN 2.280 nan 8.290 nan 0.000 0.502 37 V N -2.989 116.914 119.914 -0.018 0.000 3.623 37 V HA 0.584 4.704 4.120 0.000 0.000 0.271 37 V C 1.742 177.828 176.094 -0.014 0.000 1.248 37 V CA 1.160 63.449 62.300 -0.018 0.000 1.156 37 V CB -0.080 31.731 31.823 -0.019 0.000 0.870 37 V HN 2.263 nan 8.190 nan 0.000 0.453 38 G N 0.610 109.395 108.800 -0.025 0.000 2.145 38 G HA2 -0.238 3.722 3.960 0.000 0.000 0.176 38 G HA3 -0.238 3.722 3.960 0.000 0.000 0.176 38 G C 0.741 175.627 174.900 -0.023 0.000 1.013 38 G CA 0.407 45.481 45.100 -0.042 0.000 0.689 38 G HN 0.550 nan 8.290 nan 0.000 0.506 39 K N -0.168 120.227 120.400 -0.009 0.000 1.991 39 K HA -0.117 4.203 4.320 0.000 0.000 0.212 39 K C 2.380 178.978 176.600 -0.004 0.000 1.049 39 K CA 2.164 58.454 56.287 0.006 0.000 0.932 39 K CB -0.506 32.006 32.500 0.020 0.000 0.717 39 K HN 0.262 nan 8.250 nan 0.000 0.441 40 T N 0.616 115.162 114.554 -0.014 0.000 2.699 40 T HA -0.134 4.216 4.350 0.000 0.000 0.268 40 T C 1.807 176.468 174.700 -0.065 0.000 1.036 40 T CA 2.069 64.157 62.100 -0.021 0.000 1.147 40 T CB -0.404 68.455 68.868 -0.015 0.000 0.862 40 T HN 0.412 nan 8.240 nan 0.000 0.446 41 T N 1.477 115.964 114.554 -0.112 0.000 2.759 41 T HA -0.112 4.238 4.350 0.000 0.000 0.269 41 T C 2.170 176.821 174.700 -0.082 0.000 1.042 41 T CA 1.706 63.691 62.100 -0.191 0.000 1.140 41 T CB -0.530 68.124 68.868 -0.357 0.000 0.864 41 T HN 0.467 nan 8.240 nan 0.000 0.455 42 T N 1.420 115.975 114.554 0.003 0.000 2.821 42 T HA -0.052 4.298 4.350 0.000 0.000 0.267 42 T C 2.402 177.124 174.700 0.038 0.000 1.046 42 T CA 1.170 63.319 62.100 0.083 0.000 1.139 42 T CB -0.330 68.585 68.868 0.078 0.000 0.871 42 T HN 0.293 nan 8.240 nan 0.000 0.454 43 S N 0.837 116.540 115.700 0.006 0.000 2.370 43 S HA -0.135 4.335 4.470 0.000 0.000 0.226 43 S C 2.457 177.059 174.600 0.004 0.000 1.033 43 S CA 1.085 59.285 58.200 -0.000 0.000 1.011 43 S CB -0.649 62.554 63.200 0.005 0.000 0.852 43 S HN 0.602 nan 8.310 nan 0.000 0.457 44 C N 1.270 120.562 119.300 -0.013 0.000 2.476 44 C HA 0.015 4.475 4.460 0.000 0.000 0.278 44 C C 3.067 178.072 174.990 0.025 0.000 1.274 44 C CA 0.643 59.656 59.018 -0.007 0.000 1.713 44 C CB -1.418 26.147 27.740 -0.291 0.000 2.039 44 C HN 0.546 nan 8.230 nan 0.000 0.484 45 S N 1.237 116.958 115.700 0.036 0.000 2.359 45 S HA -0.192 4.278 4.470 0.000 0.000 0.224 45 S C 1.727 176.375 174.600 0.080 0.000 1.035 45 S CA 1.511 59.779 58.200 0.113 0.000 1.018 45 S CB -0.553 62.800 63.200 0.253 0.000 0.876 45 S HN 0.523 nan 8.310 nan 0.000 0.448 46 L N 1.711 122.967 121.223 0.054 0.000 2.141 46 L HA 0.102 4.442 4.340 0.000 0.000 0.209 46 L C 2.245 179.117 176.870 0.002 0.000 1.094 46 L CA 1.582 56.436 54.840 0.024 0.000 0.763 46 L CB -1.051 41.012 42.059 0.006 0.000 0.908 46 L HN 0.238 nan 8.230 nan 0.000 0.437 47 A N -0.364 122.452 122.820 -0.006 0.000 1.897 47 A HA -0.097 4.223 4.320 0.000 0.000 0.215 47 A C 2.251 179.804 177.584 -0.052 0.000 1.181 47 A CA 1.704 53.714 52.037 -0.045 0.000 0.620 47 A CB -0.694 18.270 19.000 -0.060 0.000 0.821 47 A HN 0.460 nan 8.150 nan 0.000 0.443 48 I N -0.868 119.693 120.570 -0.015 0.000 2.226 48 I HA -0.261 3.909 4.170 0.000 0.000 0.245 48 I C 2.686 178.833 176.117 0.049 0.000 1.100 48 I CA 1.686 62.977 61.300 -0.014 0.000 1.374 48 I CB -0.226 37.829 38.000 0.092 0.000 1.057 48 I HN 0.329 nan 8.210 nan 0.000 0.413 49 Q N 0.714 120.546 119.800 0.054 0.000 2.297 49 Q HA -0.045 4.295 4.340 0.000 0.000 0.204 49 Q C 2.011 178.033 176.000 0.037 0.000 0.962 49 Q CA 1.191 57.029 55.803 0.060 0.000 0.879 49 Q CB -0.036 28.736 28.738 0.057 0.000 0.947 49 Q HN 0.495 nan 8.270 nan 0.000 0.462 50 L N -1.068 120.162 121.223 0.012 0.000 2.162 50 L HA 0.033 4.373 4.340 0.000 0.000 0.205 50 L C 2.095 178.966 176.870 0.002 0.000 1.086 50 L CA 0.781 55.619 54.840 -0.003 0.000 0.778 50 L CB -0.452 41.589 42.059 -0.030 0.000 0.928 50 L HN 0.221 nan 8.230 nan 0.000 0.446 51 A N 0.166 122.986 122.820 -0.001 0.000 2.024 51 A HA -0.228 4.092 4.320 0.000 0.000 0.220 51 A C 2.213 179.831 177.584 0.056 0.000 1.164 51 A CA 1.571 53.620 52.037 0.020 0.000 0.643 51 A CB -0.331 18.678 19.000 0.016 0.000 0.806 51 A HN 0.354 nan 8.150 nan 0.000 0.451 52 K N -0.887 119.553 120.400 0.065 0.000 2.155 52 K HA 0.018 4.338 4.320 0.000 0.000 0.203 52 K C 1.424 178.052 176.600 0.045 0.000 1.052 52 K CA 1.365 57.693 56.287 0.068 0.000 0.948 52 K CB -0.052 32.494 32.500 0.077 0.000 0.728 52 K HN 0.362 nan 8.250 nan 0.000 0.448 53 V N 0.540 120.474 119.914 0.033 0.000 3.379 53 V HA 0.056 4.176 4.120 0.000 0.000 0.249 53 V C 0.568 176.670 176.094 0.013 0.000 1.184 53 V CA 0.247 62.561 62.300 0.023 0.000 1.106 53 V CB 0.168 32.003 31.823 0.021 0.000 0.826 53 V HN 0.143 nan 8.190 nan 0.000 0.465 54 R N 0.276 120.781 120.500 0.008 0.000 2.720 54 R HA 0.392 4.732 4.340 0.000 0.000 0.272 54 R C 1.015 177.317 176.300 0.004 0.000 0.991 54 R CA -0.589 55.511 56.100 -0.001 0.000 1.010 54 R CB 1.195 31.486 30.300 -0.015 0.000 1.141 54 R HN 0.025 nan 8.270 nan 0.000 0.494 55 K N 0.660 121.059 120.400 -0.002 0.000 2.002 55 K HA -0.094 4.226 4.320 0.000 0.000 0.209 55 K C 0.058 176.666 176.600 0.013 0.000 1.048 55 K CA 1.582 57.869 56.287 -0.000 0.000 0.930 55 K CB 0.171 32.663 32.500 -0.014 0.000 0.714 55 K HN 0.680 nan 8.250 nan 0.000 0.438 56 S N -1.027 114.688 115.700 0.024 0.000 2.541 56 S HA 0.550 5.020 4.470 0.000 0.000 0.271 56 S C -1.036 173.607 174.600 0.071 0.000 1.133 56 S CA -1.169 57.078 58.200 0.079 0.000 0.876 56 S CB 2.468 65.743 63.200 0.124 0.000 1.105 56 S HN -0.108 nan 8.310 nan 0.000 0.470 57 V N 2.381 122.310 119.914 0.025 0.000 2.525 57 V HA 0.560 4.680 4.120 0.000 0.000 0.299 57 V C -1.108 174.799 176.094 -0.313 0.000 1.034 57 V CA -0.598 61.633 62.300 -0.115 0.000 0.863 57 V CB 1.473 33.223 31.823 -0.122 0.000 0.999 57 V HN 0.913 nan 8.190 nan 0.000 0.423 58 L N 5.768 126.699 121.223 -0.487 0.000 2.295 58 L HA 0.679 5.019 4.340 0.000 0.000 0.285 58 L C -0.797 175.792 176.870 -0.468 0.000 1.035 58 L CA -0.347 54.052 54.840 -0.736 0.000 0.806 58 L CB 1.438 42.855 42.059 -1.069 0.000 1.214 58 L HN 0.622 nan 8.230 nan 0.000 0.426 59 L N 7.240 128.195 121.223 -0.446 0.000 2.313 59 L HA 0.499 4.839 4.340 0.000 0.000 0.273 59 L C -0.357 176.296 176.870 -0.361 0.000 1.028 59 L CA -0.241 54.394 54.840 -0.342 0.000 0.871 59 L CB 0.446 42.324 42.059 -0.301 0.000 1.242 59 L HN 0.607 nan 8.230 nan 0.000 0.434 60 I N 0.439 120.794 120.570 -0.357 0.000 2.440 60 I HA 0.623 4.793 4.170 0.000 0.000 0.294 60 I C -0.196 175.730 176.117 -0.317 0.000 0.995 60 I CA -0.213 60.864 61.300 -0.371 0.000 1.306 60 I CB 1.801 39.529 38.000 -0.455 0.000 1.407 60 I HN 0.546 nan 8.210 nan 0.000 0.501 61 S N 3.272 118.867 115.700 -0.174 0.000 2.552 61 S HA 0.391 4.861 4.470 0.000 0.000 0.314 61 S C 0.440 175.114 174.600 0.124 0.000 1.099 61 S CA -0.500 57.698 58.200 -0.003 0.000 1.070 61 S CB 1.555 64.789 63.200 0.058 0.000 0.998 61 S HN 0.792 nan 8.310 nan 0.000 0.474 62 T N 2.493 117.191 114.554 0.240 0.000 3.065 62 T HA 0.094 4.444 4.350 0.000 0.000 0.252 62 T C 0.268 175.120 174.700 0.254 0.000 1.099 62 T CA 0.118 62.422 62.100 0.340 0.000 1.063 62 T CB -0.192 69.011 68.868 0.559 0.000 0.948 62 T HN 0.648 nan 8.240 nan 0.000 0.506 63 D N 2.582 123.107 120.400 0.209 0.000 2.434 63 D HA 0.017 4.657 4.640 0.000 0.000 0.252 63 D C -1.277 175.006 176.300 -0.027 0.000 1.185 63 D CA -1.929 52.139 54.000 0.114 0.000 0.886 63 D CB 1.457 42.323 40.800 0.110 0.000 1.148 63 D HN 0.110 nan 8.370 nan 0.000 0.483 64 P HA -0.085 nan 4.420 nan 0.000 0.223 64 P C 0.790 177.800 177.300 -0.483 0.000 1.151 64 P CA 0.618 63.520 63.100 -0.331 0.000 0.787 64 P CB 0.215 31.837 31.700 -0.129 0.000 0.788 65 A N -0.656 122.023 122.820 -0.236 0.000 2.119 65 A HA -0.100 4.220 4.320 0.000 0.000 0.216 65 A C 0.605 178.155 177.584 -0.057 0.000 1.152 65 A CA 0.404 52.364 52.037 -0.129 0.000 0.708 65 A CB -1.729 17.250 19.000 -0.036 0.000 0.805 65 A HN 0.306 nan 8.150 nan 0.000 0.460 66 H N -0.861 118.250 119.070 0.067 0.000 2.557 66 H HA -0.153 4.403 4.556 0.000 0.000 0.319 66 H C 0.589 175.971 175.328 0.089 0.000 1.102 66 H CA 0.129 56.228 56.048 0.085 0.000 1.126 66 H CB -1.369 28.446 29.762 0.090 0.000 1.498 66 H HN 0.464 nan 8.280 nan 0.000 0.411 67 N N 0.241 119.031 118.700 0.151 0.000 2.573 67 N HA -0.067 4.673 4.740 0.000 0.000 0.187 67 N C 1.739 177.330 175.510 0.135 0.000 1.107 67 N CA 0.346 53.459 53.050 0.104 0.000 0.918 67 N CB 0.048 38.564 38.487 0.049 0.000 0.966 67 N HN 0.393 nan 8.380 nan 0.000 0.448 68 L N 0.002 121.343 121.223 0.197 0.000 2.187 68 L HA -0.049 4.291 4.340 0.000 0.000 0.213 68 L C 1.951 179.094 176.870 0.454 0.000 1.100 68 L CA 1.369 56.366 54.840 0.261 0.000 0.765 68 L CB -0.667 41.511 42.059 0.200 0.000 0.904 68 L HN 0.037 nan 8.230 nan 0.000 0.437 69 S N -0.814 115.104 115.700 0.364 0.000 2.341 69 S HA -0.099 4.371 4.470 0.000 0.000 0.216 69 S C 1.458 176.140 174.600 0.137 0.000 1.034 69 S CA 0.914 59.256 58.200 0.237 0.000 0.964 69 S CB -0.217 63.047 63.200 0.106 0.000 0.882 69 S HN 0.499 nan 8.310 nan 0.000 0.469 70 D N 2.119 122.578 120.400 0.098 0.000 2.228 70 D HA -0.098 4.542 4.640 0.000 0.000 0.203 70 D C 1.876 178.192 176.300 0.026 0.000 0.988 70 D CA 1.104 55.133 54.000 0.047 0.000 0.864 70 D CB -0.226 40.593 40.800 0.032 0.000 0.928 70 D HN 0.399 nan 8.370 nan 0.000 0.469 71 A N 0.546 123.386 122.820 0.033 0.000 1.840 71 A HA -0.075 4.245 4.320 0.000 0.000 0.214 71 A C 1.683 179.202 177.584 -0.109 0.000 1.198 71 A CA 0.699 52.682 52.037 -0.089 0.000 0.608 71 A CB -0.754 18.145 19.000 -0.168 0.000 0.839 71 A HN 0.115 nan 8.150 nan 0.000 0.443 72 F N 0.517 120.527 119.950 0.100 0.000 2.773 72 F HA 0.317 4.844 4.527 0.000 0.000 0.304 72 F C 1.699 177.518 175.800 0.031 0.000 1.129 72 F CA 0.163 58.226 58.000 0.105 0.000 1.378 72 F CB -0.424 38.708 39.000 0.221 0.000 1.095 72 F HN 0.328 nan 8.300 nan 0.000 0.565 73 G N 1.896 110.777 108.800 0.136 0.000 2.395 73 G HA2 -0.291 3.669 3.960 0.000 0.000 0.292 73 G HA3 -0.291 3.669 3.960 0.000 0.000 0.292 73 G C -0.079 174.813 174.900 -0.014 0.000 0.953 73 G CA 0.689 45.817 45.100 0.047 0.000 1.207 73 G HN 0.489 nan 8.290 nan 0.000 0.503 74 Q N -1.000 118.727 119.800 -0.121 0.000 2.386 74 Q HA 0.421 4.761 4.340 0.000 0.000 0.274 74 Q C -0.735 174.913 176.000 -0.586 0.000 1.011 74 Q CA -1.025 54.573 55.803 -0.342 0.000 0.867 74 Q CB 1.236 29.713 28.738 -0.434 0.000 1.409 74 Q HN 0.241 nan 8.270 nan 0.000 0.395 75 K N 3.155 123.282 120.400 -0.455 0.000 2.312 75 K HA 0.319 4.639 4.320 0.000 0.000 0.287 75 K C -1.352 174.971 176.600 -0.461 0.000 1.062 75 K CA -0.037 56.038 56.287 -0.354 0.000 0.934 75 K CB 0.351 32.750 32.500 -0.168 0.000 1.027 75 K HN 0.311 nan 8.250 nan 0.000 0.478 76 F N 1.202 121.130 119.950 -0.037 0.000 2.507 76 F HA 0.570 5.097 4.527 -0.000 0.000 0.327 76 F C 1.011 176.748 175.800 -0.105 0.000 1.068 76 F CA -0.463 57.495 58.000 -0.069 0.000 0.965 76 F CB 2.016 40.974 39.000 -0.071 0.000 1.192 76 F HN 0.625 nan 8.300 nan 0.000 0.476 77 G N 0.630 109.495 108.800 0.109 0.000 3.166 77 G HA2 0.295 4.255 3.960 0.000 0.000 0.267 77 G HA3 0.295 4.255 3.960 0.000 0.000 0.267 77 G C -0.173 174.710 174.900 -0.028 0.000 1.256 77 G CA -0.689 44.409 45.100 -0.003 0.000 0.859 77 G HN 0.527 nan 8.290 nan 0.000 0.590 78 K N -0.189 120.191 120.400 -0.033 0.000 2.486 78 K HA 0.107 4.427 4.320 0.000 0.000 0.194 78 K C 0.064 176.645 176.600 -0.032 0.000 1.033 78 K CA 0.560 56.825 56.287 -0.036 0.000 1.004 78 K CB 0.136 32.622 32.500 -0.023 0.000 0.798 78 K HN 0.251 nan 8.250 nan 0.000 0.495 79 E N 0.866 121.057 120.200 -0.015 0.000 2.174 79 E HA 0.157 4.507 4.350 0.000 0.000 0.282 79 E C -0.952 175.646 176.600 -0.004 0.000 0.992 79 E CA -0.318 56.077 56.400 -0.007 0.000 0.803 79 E CB 1.582 31.284 29.700 0.003 0.000 1.090 79 E HN 0.213 nan 8.360 nan 0.000 0.396 80 A N 5.390 128.202 122.820 -0.014 0.000 2.505 80 A HA 0.069 4.389 4.320 0.000 0.000 0.271 80 A C 0.354 177.948 177.584 0.018 0.000 1.112 80 A CA 0.194 52.212 52.037 -0.031 0.000 0.781 80 A CB -0.088 18.910 19.000 -0.003 0.000 1.059 80 A HN 0.440 nan 8.150 nan 0.000 0.508 81 R N 1.634 122.155 120.500 0.035 0.000 2.674 81 R HA 0.585 4.925 4.340 0.000 0.000 0.266 81 R C -1.032 175.308 176.300 0.068 0.000 1.016 81 R CA -1.063 55.091 56.100 0.091 0.000 1.062 81 R CB 0.945 31.357 30.300 0.185 0.000 1.142 81 R HN 0.535 nan 8.270 nan 0.000 0.517 82 L N 1.722 122.989 121.223 0.073 0.000 2.290 82 L HA 0.158 4.498 4.340 0.000 0.000 0.284 82 L C -0.531 176.380 176.870 0.069 0.000 1.078 82 L CA -0.273 54.596 54.840 0.049 0.000 0.815 82 L CB 1.575 43.665 42.059 0.052 0.000 1.162 82 L HN 0.326 nan 8.230 nan 0.000 0.435 83 V N 5.627 125.537 119.914 -0.006 0.000 2.540 83 V HA -0.043 4.077 4.120 0.000 0.000 0.297 83 V C 1.165 177.310 176.094 0.085 0.000 1.024 83 V CA -0.137 62.131 62.300 -0.053 0.000 1.105 83 V CB 0.287 31.824 31.823 -0.477 0.000 0.938 83 V HN 0.768 nan 8.190 nan 0.000 0.482 84 D N 4.988 125.432 120.400 0.074 0.000 2.126 84 D HA -0.154 4.486 4.640 0.000 0.000 0.190 84 D C 2.040 178.379 176.300 0.065 0.000 1.001 84 D CA 2.073 56.113 54.000 0.067 0.000 0.841 84 D CB -0.258 40.566 40.800 0.041 0.000 0.949 84 D HN 0.795 nan 8.370 nan 0.000 0.446 85 G N -1.618 107.228 108.800 0.076 0.000 2.956 85 G HA2 0.049 4.009 3.960 0.000 0.000 0.207 85 G HA3 0.049 4.009 3.960 0.000 0.000 0.207 85 G C -0.138 174.441 174.900 -0.534 0.000 1.162 85 G CA 0.155 45.113 45.100 -0.236 0.000 0.796 85 G HN 0.218 nan 8.290 nan 0.000 0.527 86 Y N -1.477 118.814 120.300 -0.015 0.000 2.634 86 Y HA 0.435 4.985 4.550 -0.000 0.000 0.340 86 Y C 1.145 177.037 175.900 -0.014 0.000 1.058 86 Y CA -0.583 57.508 58.100 -0.014 0.000 1.081 86 Y CB 2.024 40.465 38.460 -0.032 0.000 1.295 86 Y HN 0.013 nan 8.280 nan 0.000 0.487 87 S N -1.199 114.593 115.700 0.154 0.000 2.554 87 S HA 0.014 4.484 4.470 0.000 0.000 0.227 87 S C 0.436 175.084 174.600 0.080 0.000 1.050 87 S CA 0.239 58.488 58.200 0.082 0.000 0.927 87 S CB 0.005 63.233 63.200 0.046 0.000 0.859 87 S HN 0.768 nan 8.310 nan 0.000 0.494 88 N N 0.856 119.615 118.700 0.099 0.000 2.197 88 N HA 0.273 5.013 4.740 0.000 0.000 0.228 88 N C -0.523 175.021 175.510 0.056 0.000 1.212 88 N CA -0.338 52.760 53.050 0.080 0.000 0.883 88 N CB 0.210 38.734 38.487 0.062 0.000 1.107 88 N HN 0.395 nan 8.380 nan 0.000 0.519 89 L N 1.218 122.450 121.223 0.015 0.000 2.305 89 L HA 0.614 4.954 4.340 0.000 0.000 0.284 89 L C -0.882 175.884 176.870 -0.174 0.000 1.013 89 L CA -0.174 54.583 54.840 -0.139 0.000 0.819 89 L CB 1.636 43.499 42.059 -0.326 0.000 1.227 89 L HN 0.016 nan 8.230 nan 0.000 0.417 90 S N 3.265 118.809 115.700 -0.260 0.000 2.568 90 S HA 0.974 5.444 4.470 0.000 0.000 0.293 90 S C -0.871 173.448 174.600 -0.469 0.000 1.089 90 S CA -0.501 57.526 58.200 -0.287 0.000 0.945 90 S CB 1.883 64.970 63.200 -0.189 0.000 1.077 90 S HN 0.875 nan 8.310 nan 0.000 0.485 91 A N 2.373 124.873 122.820 -0.533 0.000 2.414 91 A HA 0.887 5.207 4.320 0.000 0.000 0.306 91 A C -0.696 176.540 177.584 -0.581 0.000 1.054 91 A CA -0.886 50.696 52.037 -0.760 0.000 0.724 91 A CB 1.101 19.245 19.000 -1.427 0.000 1.267 91 A HN 0.928 nan 8.150 nan 0.000 0.418 92 M N 0.251 119.589 119.600 -0.436 0.000 2.550 92 M HA 0.773 5.253 4.480 0.000 0.000 0.292 92 M C -1.309 174.870 176.300 -0.201 0.000 1.221 92 M CA -0.328 54.822 55.300 -0.249 0.000 0.873 92 M CB 2.193 34.681 32.600 -0.187 0.000 1.727 92 M HN 0.480 nan 8.290 nan 0.000 0.459 93 E N 2.916 123.040 120.200 -0.126 0.000 2.141 93 E HA 0.432 4.782 4.350 0.000 0.000 0.259 93 E C -0.909 175.658 176.600 -0.054 0.000 0.883 93 E CA -0.738 55.598 56.400 -0.107 0.000 0.744 93 E CB 1.709 31.251 29.700 -0.263 0.000 1.150 93 E HN 0.547 nan 8.360 nan 0.000 0.420 94 I N 2.507 123.093 120.570 0.026 0.000 2.556 94 I HA 0.089 4.259 4.170 0.000 0.000 0.284 94 I C 0.334 176.551 176.117 0.168 0.000 1.114 94 I CA 0.090 61.441 61.300 0.084 0.000 1.418 94 I CB 0.119 38.210 38.000 0.152 0.000 1.394 94 I HN 0.393 nan 8.210 nan 0.000 0.552 95 D N 8.303 128.784 120.400 0.134 0.000 2.177 95 D HA 0.275 4.915 4.640 0.000 0.000 0.247 95 D C -1.488 174.912 176.300 0.166 0.000 1.063 95 D CA -1.414 52.679 54.000 0.156 0.000 0.867 95 D CB 1.950 42.812 40.800 0.103 0.000 1.168 95 D HN 0.260 nan 8.370 nan 0.000 0.445 96 P HA -0.058 nan 4.420 nan 0.000 0.215 96 P C -0.506 176.865 177.300 0.119 0.000 1.157 96 P CA 0.649 63.851 63.100 0.170 0.000 0.859 96 P CB 0.171 31.948 31.700 0.127 0.000 0.786 97 N N -2.256 116.494 118.700 0.082 0.000 2.780 97 N HA -0.113 4.627 4.740 0.000 0.000 0.247 97 N C 0.219 175.754 175.510 0.042 0.000 1.076 97 N CA -0.033 53.049 53.050 0.053 0.000 0.688 97 N CB -1.554 36.960 38.487 0.046 0.000 0.957 97 N HN 0.224 nan 8.380 nan 0.000 0.551 98 G N 0.202 109.028 108.800 0.042 0.000 2.406 98 G HA2 0.415 4.375 3.960 0.000 0.000 0.251 98 G HA3 0.415 4.375 3.960 0.000 0.000 0.251 98 G C 0.448 175.363 174.900 0.025 0.000 1.271 98 G CA 0.136 45.258 45.100 0.036 0.000 0.859 98 G HN 0.311 nan 8.290 nan 0.000 0.540 99 S N 1.688 117.404 115.700 0.027 0.000 2.730 99 S HA 0.382 4.852 4.470 0.000 0.000 0.284 99 S C 1.492 176.107 174.600 0.024 0.000 1.153 99 S CA -0.897 57.317 58.200 0.022 0.000 0.995 99 S CB 1.453 64.666 63.200 0.021 0.000 1.058 99 S HN 0.407 nan 8.310 nan 0.000 0.552 100 I N 0.739 121.322 120.570 0.021 0.000 2.226 100 I HA -0.191 3.979 4.170 0.000 0.000 0.245 100 I C 2.856 178.992 176.117 0.033 0.000 1.100 100 I CA 1.140 62.455 61.300 0.024 0.000 1.374 100 I CB -0.410 37.602 38.000 0.020 0.000 1.057 100 I HN 0.620 nan 8.210 nan 0.000 0.413 101 Q N 0.637 120.455 119.800 0.030 0.000 2.030 101 Q HA -0.261 4.079 4.340 0.000 0.000 0.204 101 Q C 1.881 177.906 176.000 0.042 0.000 0.986 101 Q CA 1.909 57.731 55.803 0.033 0.000 0.843 101 Q CB -0.489 28.265 28.738 0.027 0.000 0.904 101 Q HN 0.465 nan 8.270 nan 0.000 0.420 102 D N 0.319 120.745 120.400 0.044 0.000 2.133 102 D HA -0.182 4.458 4.640 0.000 0.000 0.192 102 D C 1.861 178.207 176.300 0.076 0.000 1.001 102 D CA 0.837 54.872 54.000 0.057 0.000 0.844 102 D CB -0.206 40.627 40.800 0.056 0.000 0.944 102 D HN 0.089 nan 8.370 nan 0.000 0.447 103 L N 0.166 121.435 121.223 0.076 0.000 2.044 103 L HA -0.016 4.324 4.340 0.000 0.000 0.205 103 L C 2.112 179.049 176.870 0.113 0.000 1.075 103 L CA 1.317 56.223 54.840 0.111 0.000 0.747 103 L CB -0.561 41.545 42.059 0.079 0.000 0.903 103 L HN 0.084 nan 8.230 nan 0.000 0.435 104 L N -0.506 120.763 121.223 0.076 0.000 2.187 104 L HA -0.172 4.168 4.340 0.000 0.000 0.213 104 L C 2.391 179.293 176.870 0.053 0.000 1.100 104 L CA 1.004 55.881 54.840 0.062 0.000 0.765 104 L CB -0.804 41.282 42.059 0.045 0.000 0.904 104 L HN 0.370 nan 8.230 nan 0.000 0.437 105 A N -0.617 122.236 122.820 0.055 0.000 2.169 105 A HA 0.016 4.336 4.320 0.000 0.000 0.212 105 A C 1.507 179.115 177.584 0.039 0.000 1.153 105 A CA 0.668 52.731 52.037 0.044 0.000 0.756 105 A CB -0.288 18.739 19.000 0.044 0.000 0.813 105 A HN 0.460 nan 8.150 nan 0.000 0.471 126 D N -1.165 119.252 120.400 0.029 0.000 2.486 126 D HA 0.045 4.685 4.640 0.000 0.000 0.243 126 D C 0.696 177.048 176.300 0.087 0.000 1.146 126 D CA -0.187 53.866 54.000 0.088 0.000 0.821 126 D CB 0.127 40.983 40.800 0.094 0.000 1.201 126 D HN -0.004 nan 8.370 nan 0.000 0.525 127 L N 1.026 122.258 121.223 0.014 0.000 2.747 127 L HA 0.447 4.787 4.340 0.000 0.000 0.248 127 L C 1.665 178.511 176.870 -0.040 0.000 1.191 127 L CA 0.092 54.934 54.840 0.003 0.000 1.003 127 L CB -0.770 41.273 42.059 -0.027 0.000 1.235 127 L HN 0.251 nan 8.230 nan 0.000 0.426 128 A N -1.717 121.029 122.820 -0.122 0.000 2.095 128 A HA 0.138 4.458 4.320 0.000 0.000 0.212 128 A C 1.187 178.498 177.584 -0.455 0.000 1.162 128 A CA 0.377 52.208 52.037 -0.344 0.000 0.753 128 A CB -0.185 18.487 19.000 -0.546 0.000 0.840 128 A HN 0.287 nan 8.150 nan 0.000 0.468 129 F N 0.516 120.507 119.950 0.068 0.000 2.850 129 F HA 0.164 4.691 4.527 -0.000 0.000 0.306 129 F C 1.854 177.705 175.800 0.083 0.000 1.162 129 F CA 0.260 58.290 58.000 0.050 0.000 1.327 129 F CB 0.169 39.179 39.000 0.016 0.000 0.953 129 F HN 0.214 nan 8.300 nan 0.000 0.507 130 S N -0.674 115.156 115.700 0.218 0.000 2.446 130 S HA 0.112 4.582 4.470 0.000 0.000 0.225 130 S C 0.738 175.419 174.600 0.135 0.000 1.016 130 S CA 0.242 58.584 58.200 0.236 0.000 0.943 130 S CB 0.008 63.282 63.200 0.124 0.000 0.786 130 S HN 0.061 nan 8.310 nan 0.000 0.508 131 I N 3.950 124.576 120.570 0.092 0.000 2.352 131 I HA 0.408 4.579 4.170 0.000 0.000 0.290 131 I C -2.614 173.563 176.117 0.101 0.000 1.036 131 I CA -2.743 58.601 61.300 0.073 0.000 1.336 131 I CB -0.174 37.859 38.000 0.054 0.000 1.407 131 I HN 0.026 nan 8.210 nan 0.000 0.497 132 P HA 0.200 nan 4.420 nan 0.000 0.272 132 P C 0.342 177.747 177.300 0.175 0.000 1.223 132 P CA -0.143 63.077 63.100 0.201 0.000 0.784 132 P CB 0.687 32.627 31.700 0.399 0.000 0.923 133 G N 0.367 109.256 108.800 0.148 0.000 2.528 133 G HA2 0.263 4.223 3.960 0.000 0.000 0.289 133 G HA3 0.263 4.223 3.960 0.000 0.000 0.289 133 G C 1.047 175.995 174.900 0.081 0.000 1.192 133 G CA -0.654 44.506 45.100 0.100 0.000 0.921 133 G HN 0.288 nan 8.290 nan 0.000 0.512 134 V N 0.308 120.255 119.914 0.054 0.000 2.427 134 V HA -0.119 4.001 4.120 0.000 0.000 0.248 134 V C 2.451 178.543 176.094 -0.003 0.000 1.051 134 V CA 2.049 64.367 62.300 0.030 0.000 1.048 134 V CB -0.399 31.441 31.823 0.028 0.000 0.666 134 V HN 0.621 nan 8.190 nan 0.000 0.456 135 D N -0.259 120.144 120.400 0.005 0.000 2.097 135 D HA -0.191 4.449 4.640 0.000 0.000 0.195 135 D C 2.181 178.462 176.300 -0.032 0.000 0.989 135 D CA 1.615 55.610 54.000 -0.008 0.000 0.827 135 D CB -0.120 40.685 40.800 0.008 0.000 0.966 135 D HN 0.612 nan 8.370 nan 0.000 0.456 136 E N 0.692 120.880 120.200 -0.020 0.000 2.077 136 E HA -0.169 4.181 4.350 0.000 0.000 0.193 136 E C 2.001 178.438 176.600 -0.272 0.000 0.989 136 E CA 1.114 57.488 56.400 -0.043 0.000 0.800 136 E CB 0.002 29.739 29.700 0.061 0.000 0.746 136 E HN 0.136 nan 8.360 nan 0.000 0.452 137 A N 1.046 123.643 122.820 -0.372 0.000 1.883 137 A HA -0.215 4.105 4.320 0.000 0.000 0.217 137 A C 2.251 179.578 177.584 -0.429 0.000 1.186 137 A CA 1.859 53.417 52.037 -0.799 0.000 0.624 137 A CB -0.617 18.237 19.000 -0.244 0.000 0.822 137 A HN 0.369 nan 8.150 nan 0.000 0.444 138 M N -0.740 118.749 119.600 -0.185 0.000 2.159 138 M HA -0.149 4.331 4.480 0.000 0.000 0.263 138 M C 2.549 178.801 176.300 -0.080 0.000 1.063 138 M CA 1.737 56.980 55.300 -0.095 0.000 1.110 138 M CB -0.186 32.383 32.600 -0.050 0.000 1.374 138 M HN 0.578 nan 8.290 nan 0.000 0.411 139 S N -0.053 115.601 115.700 -0.078 0.000 2.356 139 S HA -0.198 4.272 4.470 0.000 0.000 0.223 139 S C 1.758 176.348 174.600 -0.018 0.000 1.032 139 S CA 1.328 59.508 58.200 -0.034 0.000 1.005 139 S CB -0.418 62.780 63.200 -0.003 0.000 0.867 139 S HN 0.506 nan 8.310 nan 0.000 0.449 140 F N 2.240 122.074 119.950 -0.194 0.000 2.134 140 F HA 0.053 4.580 4.527 0.000 0.000 0.299 140 F C 2.383 178.143 175.800 -0.067 0.000 1.097 140 F CA 1.194 59.126 58.000 -0.114 0.000 1.264 140 F CB -0.820 38.077 39.000 -0.171 0.000 1.001 140 F HN 0.296 nan 8.300 nan 0.000 0.479 141 A N -0.040 122.789 122.820 0.016 0.000 1.940 141 A HA -0.195 4.125 4.320 0.000 0.000 0.219 141 A C 2.153 179.694 177.584 -0.072 0.000 1.176 141 A CA 1.828 53.859 52.037 -0.011 0.000 0.631 141 A CB -0.715 18.288 19.000 0.005 0.000 0.814 141 A HN 0.431 nan 8.150 nan 0.000 0.446 142 E N -0.219 119.937 120.200 -0.074 0.000 2.150 142 E HA -0.100 4.250 4.350 0.000 0.000 0.193 142 E C 2.173 178.714 176.600 -0.098 0.000 0.985 142 E CA 1.270 57.629 56.400 -0.068 0.000 0.814 142 E CB -0.357 29.313 29.700 -0.050 0.000 0.752 142 E HN 0.447 nan 8.360 nan 0.000 0.466 143 V N 1.386 121.202 119.914 -0.163 0.000 2.379 143 V HA -0.192 3.928 4.120 0.000 0.000 0.245 143 V C 2.536 178.505 176.094 -0.209 0.000 1.044 143 V CA 1.041 63.221 62.300 -0.201 0.000 1.036 143 V CB -0.479 31.171 31.823 -0.289 0.000 0.664 143 V HN 0.190 nan 8.190 nan 0.000 0.453 144 L N -0.248 120.804 121.223 -0.285 0.000 2.127 144 L HA -0.245 4.095 4.340 0.000 0.000 0.211 144 L C 2.589 179.435 176.870 -0.039 0.000 1.089 144 L CA 1.722 56.476 54.840 -0.143 0.000 0.757 144 L CB -0.511 41.470 42.059 -0.130 0.000 0.899 144 L HN 0.322 nan 8.230 nan 0.000 0.434 145 K N -0.355 120.012 120.400 -0.055 0.000 2.001 145 K HA -0.210 4.110 4.320 0.000 0.000 0.208 145 K C 2.181 178.767 176.600 -0.023 0.000 1.048 145 K CA 1.429 57.700 56.287 -0.027 0.000 0.932 145 K CB -0.039 32.443 32.500 -0.031 0.000 0.715 145 K HN 0.294 nan 8.250 nan 0.000 0.437 146 Q N 0.044 119.821 119.800 -0.038 0.000 2.045 146 Q HA -0.201 4.139 4.340 0.000 0.000 0.206 146 Q C 2.075 178.068 176.000 -0.013 0.000 0.991 146 Q CA 1.972 57.758 55.803 -0.029 0.000 0.851 146 Q CB -0.147 28.567 28.738 -0.039 0.000 0.911 146 Q HN 0.151 nan 8.270 nan 0.000 0.418 147 V N 1.152 121.059 119.914 -0.012 0.000 2.392 147 V HA -0.280 3.840 4.120 0.000 0.000 0.249 147 V C 2.239 178.353 176.094 0.033 0.000 1.059 147 V CA 1.817 64.130 62.300 0.022 0.000 1.051 147 V CB -0.493 31.339 31.823 0.015 0.000 0.658 147 V HN 0.326 nan 8.190 nan 0.000 0.455 148 K N -0.265 120.152 120.400 0.028 0.000 2.148 148 K HA -0.132 4.188 4.320 0.000 0.000 0.204 148 K C 2.338 178.932 176.600 -0.010 0.000 1.050 148 K CA 1.456 57.755 56.287 0.020 0.000 0.942 148 K CB -0.092 32.432 32.500 0.039 0.000 0.724 148 K HN 0.455 nan 8.250 nan 0.000 0.446 149 S N 1.292 116.983 115.700 -0.016 0.000 2.383 149 S HA -0.053 4.417 4.470 0.000 0.000 0.227 149 S C 1.729 176.291 174.600 -0.064 0.000 1.026 149 S CA 0.805 58.984 58.200 -0.035 0.000 0.981 149 S CB -0.084 63.098 63.200 -0.030 0.000 0.818 149 S HN 0.275 nan 8.310 nan 0.000 0.472 150 L N 1.265 122.450 121.223 -0.064 0.000 2.275 150 L HA 0.017 4.357 4.340 0.000 0.000 0.215 150 L C 0.607 177.320 176.870 -0.263 0.000 1.119 150 L CA 0.257 55.004 54.840 -0.155 0.000 0.790 150 L CB -0.591 41.425 42.059 -0.070 0.000 0.919 150 L HN 0.146 nan 8.230 nan 0.000 0.443 151 S N -0.695 114.916 115.700 -0.148 0.000 3.608 151 S HA -0.211 4.259 4.470 0.000 0.000 0.382 151 S C -0.185 174.289 174.600 -0.211 0.000 0.945 151 S CA 0.223 58.335 58.200 -0.145 0.000 1.256 151 S CB -1.546 61.574 63.200 -0.134 0.000 0.913 151 S HN 0.240 nan 8.310 nan 0.000 0.518 152 Y N 0.609 120.830 120.300 -0.132 0.000 2.346 152 Y HA 0.265 4.815 4.550 0.000 0.000 0.330 152 Y C 1.612 177.411 175.900 -0.168 0.000 1.178 152 Y CA -0.153 57.858 58.100 -0.148 0.000 1.331 152 Y CB 0.535 38.888 38.460 -0.178 0.000 1.253 152 Y HN 0.392 nan 8.280 nan 0.000 0.529 153 E N 1.579 121.792 120.200 0.023 0.000 2.023 153 E HA -0.098 4.252 4.350 0.000 0.000 0.196 153 E C -0.466 176.073 176.600 -0.102 0.000 1.003 153 E CA 1.255 57.628 56.400 -0.045 0.000 0.809 153 E CB 0.135 29.818 29.700 -0.029 0.000 0.755 153 E HN 0.340 nan 8.360 nan 0.000 0.449 154 V N -0.191 119.654 119.914 -0.116 0.000 3.007 154 V HA 0.440 4.560 4.120 0.000 0.000 0.311 154 V C -1.290 174.645 176.094 -0.265 0.000 1.120 154 V CA -0.890 61.288 62.300 -0.202 0.000 0.980 154 V CB 1.886 33.628 31.823 -0.136 0.000 1.033 154 V HN 0.161 nan 8.190 nan 0.000 0.429 155 I N 5.134 125.482 120.570 -0.371 0.000 2.410 155 I HA 0.417 4.587 4.170 0.000 0.000 0.286 155 I C -0.661 175.330 176.117 -0.210 0.000 1.009 155 I CA -0.853 60.227 61.300 -0.368 0.000 1.111 155 I CB 2.008 39.648 38.000 -0.600 0.000 1.262 155 I HN 0.279 nan 8.210 nan 0.000 0.443 156 V N 6.985 126.789 119.914 -0.184 0.000 2.406 156 V HA 0.193 4.313 4.120 0.000 0.000 0.272 156 V C -0.332 175.716 176.094 -0.076 0.000 1.043 156 V CA -0.233 61.999 62.300 -0.114 0.000 0.915 156 V CB 1.061 32.819 31.823 -0.109 0.000 0.988 156 V HN 0.457 nan 8.190 nan 0.000 0.466 157 F N 3.963 123.807 119.950 -0.177 0.000 2.313 157 F HA 0.360 4.887 4.527 -0.000 0.000 0.369 157 F C 0.434 176.217 175.800 -0.030 0.000 1.109 157 F CA -0.739 57.188 58.000 -0.122 0.000 1.132 157 F CB 0.852 39.645 39.000 -0.346 0.000 1.291 157 F HN 0.542 nan 8.300 nan 0.000 0.496 158 D N 4.871 125.403 120.400 0.219 0.000 2.374 158 D HA 0.085 4.725 4.640 0.000 0.000 0.240 158 D C 0.281 176.794 176.300 0.355 0.000 1.229 158 D CA -0.030 54.091 54.000 0.201 0.000 0.895 158 D CB 0.650 41.500 40.800 0.083 0.000 1.046 158 D HN 0.506 nan 8.370 nan 0.000 0.498 159 T N 0.588 115.362 114.554 0.368 0.000 2.788 159 T HA 0.534 4.884 4.350 0.000 0.000 0.287 159 T C 0.458 175.310 174.700 0.255 0.000 1.007 159 T CA -0.943 61.395 62.100 0.397 0.000 1.005 159 T CB 1.212 70.267 68.868 0.312 0.000 1.012 159 T HN 0.347 nan 8.240 nan 0.000 0.530 160 A N 2.248 125.206 122.820 0.229 0.000 2.354 160 A HA 0.531 4.851 4.320 0.000 0.000 0.281 160 A C -1.861 175.779 177.584 0.094 0.000 1.174 160 A CA -1.781 50.343 52.037 0.145 0.000 0.828 160 A CB -0.105 18.979 19.000 0.139 0.000 1.099 160 A HN 0.703 nan 8.150 nan 0.000 0.516 161 P HA 0.046 nan 4.420 nan 0.000 0.259 161 P C 0.635 177.951 177.300 0.026 0.000 1.480 161 P CA 0.524 63.650 63.100 0.042 0.000 0.842 161 P CB -0.243 31.477 31.700 0.032 0.000 1.513 162 T N -4.650 109.927 114.554 0.040 0.000 2.946 162 T HA 0.392 4.742 4.350 0.000 0.000 0.295 162 T C 1.712 176.402 174.700 -0.016 0.000 1.143 162 T CA 0.034 62.160 62.100 0.043 0.000 0.944 162 T CB -0.182 68.758 68.868 0.120 0.000 1.800 162 T HN -0.039 nan 8.240 nan 0.000 0.590 163 G N -1.238 107.522 108.800 -0.066 0.000 2.650 163 G HA2 0.021 3.981 3.960 0.000 0.000 0.214 163 G HA3 0.021 3.981 3.960 0.000 0.000 0.214 163 G C 0.897 175.535 174.900 -0.438 0.000 1.136 163 G CA 0.008 44.941 45.100 -0.278 0.000 0.789 163 G HN 0.869 nan 8.290 nan 0.000 0.536 164 H N 0.378 119.404 119.070 -0.073 0.000 2.490 164 H HA 0.176 4.732 4.556 -0.000 0.000 0.285 164 H C 1.418 176.637 175.328 -0.182 0.000 1.127 164 H CA 0.134 56.109 56.048 -0.121 0.000 0.993 164 H CB 0.156 29.871 29.762 -0.078 0.000 1.653 164 H HN 0.103 nan 8.280 nan 0.000 0.557 165 T N 0.806 115.289 114.554 -0.117 0.000 2.699 165 T HA -0.112 4.238 4.350 0.000 0.000 0.268 165 T C 1.702 176.151 174.700 -0.418 0.000 1.036 165 T CA 0.996 63.010 62.100 -0.144 0.000 1.147 165 T CB 0.094 68.897 68.868 -0.108 0.000 0.862 165 T HN 0.359 nan 8.240 nan 0.000 0.446 166 L N 1.006 121.884 121.223 -0.574 0.000 2.928 166 L HA 0.336 4.676 4.340 0.000 0.000 0.246 166 L C 2.189 178.431 176.870 -1.047 0.000 1.239 166 L CA -0.207 54.019 54.840 -1.022 0.000 1.035 166 L CB -0.157 41.419 42.059 -0.806 0.000 1.360 166 L HN 0.149 nan 8.230 nan 0.000 0.529 167 R N 1.454 121.499 120.500 -0.759 0.000 2.120 167 R HA -0.190 4.150 4.340 0.000 0.000 0.234 167 R C 2.004 177.766 176.300 -0.896 0.000 1.123 167 R CA 1.818 57.577 56.100 -0.569 0.000 0.975 167 R CB -0.261 29.886 30.300 -0.256 0.000 0.866 167 R HN 0.421 nan 8.270 nan 0.000 0.446 168 F N -0.172 119.274 119.950 -0.840 0.000 2.641 168 F HA 0.090 4.617 4.527 0.000 0.000 0.298 168 F C 1.276 176.510 175.800 -0.943 0.000 1.146 168 F CA 0.203 57.369 58.000 -1.389 0.000 1.464 168 F CB -0.512 37.954 39.000 -0.890 0.000 1.101 168 F HN -0.066 nan 8.300 nan 0.000 0.585 169 L N 0.071 120.899 121.223 -0.658 0.000 2.554 169 L HA 0.040 4.380 4.340 0.000 0.000 0.226 169 L C 1.720 178.452 176.870 -0.230 0.000 1.137 169 L CA 0.517 55.101 54.840 -0.426 0.000 0.863 169 L CB -0.535 40.887 42.059 -1.062 0.000 0.985 169 L HN 0.276 nan 8.230 nan 0.000 0.451 170 Q N -1.339 118.283 119.800 -0.298 0.000 2.356 170 Q HA 0.046 4.386 4.340 0.000 0.000 0.205 170 Q C 1.597 177.640 176.000 0.071 0.000 0.901 170 Q CA 0.162 55.925 55.803 -0.067 0.000 0.938 170 Q CB 0.249 28.947 28.738 -0.067 0.000 1.081 170 Q HN 0.315 nan 8.270 nan 0.000 0.517 171 F N 1.363 121.333 119.950 0.033 0.000 2.161 171 F HA -0.069 4.458 4.527 -0.000 0.000 0.300 171 F C -0.625 175.210 175.800 0.059 0.000 1.089 171 F CA 0.262 58.292 58.000 0.051 0.000 1.282 171 F CB -1.888 37.151 39.000 0.065 0.000 1.010 171 F HN 0.091 nan 8.300 nan 0.000 0.485 172 P HA -0.131 nan 4.420 nan 0.000 0.214 172 P C 1.792 179.163 177.300 0.118 0.000 1.163 172 P CA 2.762 65.949 63.100 0.146 0.000 0.883 172 P CB -0.460 31.306 31.700 0.110 0.000 0.788 173 T N -3.036 111.586 114.554 0.114 0.000 2.867 173 T HA -0.077 4.273 4.350 0.000 0.000 0.268 173 T C 1.874 176.629 174.700 0.092 0.000 1.057 173 T CA 0.989 63.141 62.100 0.088 0.000 1.136 173 T CB -1.485 67.428 68.868 0.076 0.000 0.874 173 T HN -0.138 nan 8.240 nan 0.000 0.466 174 V N 1.413 121.403 119.914 0.127 0.000 2.358 174 V HA -0.000 4.120 4.120 0.000 0.000 0.246 174 V C 2.664 178.815 176.094 0.095 0.000 1.047 174 V CA 1.362 63.736 62.300 0.124 0.000 1.035 174 V CB -0.595 31.342 31.823 0.190 0.000 0.658 174 V HN 0.464 nan 8.190 nan 0.000 0.452 175 L N -0.734 120.548 121.223 0.099 0.000 2.240 175 L HA -0.079 4.261 4.340 0.000 0.000 0.211 175 L C 2.453 179.354 176.870 0.052 0.000 1.106 175 L CA 1.156 56.035 54.840 0.065 0.000 0.793 175 L CB -0.425 41.672 42.059 0.064 0.000 0.927 175 L HN 0.361 nan 8.230 nan 0.000 0.446 176 E N 0.297 120.531 120.200 0.057 0.000 2.107 176 E HA -0.181 4.169 4.350 0.000 0.000 0.191 176 E C 2.079 178.701 176.600 0.037 0.000 0.982 176 E CA 0.901 57.327 56.400 0.044 0.000 0.809 176 E CB 0.174 29.901 29.700 0.045 0.000 0.756 176 E HN 0.371 nan 8.360 nan 0.000 0.459 177 K N 0.267 120.692 120.400 0.042 0.000 2.155 177 K HA -0.044 4.276 4.320 0.000 0.000 0.203 177 K C 2.093 178.712 176.600 0.032 0.000 1.052 177 K CA 0.842 57.150 56.287 0.035 0.000 0.948 177 K CB 0.019 32.542 32.500 0.038 0.000 0.728 177 K HN 0.030 nan 8.250 nan 0.000 0.448 178 A N 1.516 124.357 122.820 0.035 0.000 1.855 178 A HA -0.139 4.181 4.320 0.000 0.000 0.215 178 A C 2.085 179.682 177.584 0.022 0.000 1.191 178 A CA 1.037 53.091 52.037 0.028 0.000 0.613 178 A CB -0.547 18.470 19.000 0.028 0.000 0.829 178 A HN 0.225 nan 8.150 nan 0.000 0.442 179 L N -0.367 120.869 121.223 0.022 0.000 2.187 179 L HA -0.076 4.264 4.340 0.000 0.000 0.213 179 L C 2.537 179.417 176.870 0.017 0.000 1.100 179 L CA 1.878 56.728 54.840 0.017 0.000 0.765 179 L CB -0.538 41.532 42.059 0.018 0.000 0.904 179 L HN 0.370 nan 8.230 nan 0.000 0.437 180 A N -0.343 122.489 122.820 0.020 0.000 1.840 180 A HA -0.199 4.121 4.320 0.000 0.000 0.214 180 A C 2.318 179.913 177.584 0.018 0.000 1.198 180 A CA 1.553 53.601 52.037 0.019 0.000 0.608 180 A CB -0.656 18.356 19.000 0.020 0.000 0.839 180 A HN 0.376 nan 8.150 nan 0.000 0.443 181 K N -0.569 119.842 120.400 0.019 0.000 2.211 181 K HA -0.097 4.223 4.320 0.000 0.000 0.204 181 K C 1.555 178.166 176.600 0.018 0.000 1.047 181 K CA 1.374 57.672 56.287 0.019 0.000 0.935 181 K CB -0.446 32.066 32.500 0.020 0.000 0.728 181 K HN 0.314 nan 8.250 nan 0.000 0.452 182 L N -0.219 121.013 121.223 0.015 0.000 2.131 182 L HA 0.068 4.408 4.340 0.000 0.000 0.206 182 L C 2.268 179.144 176.870 0.009 0.000 1.087 182 L CA 1.471 56.317 54.840 0.010 0.000 0.767 182 L CB -0.639 41.423 42.059 0.005 0.000 0.917 182 L HN 0.253 nan 8.230 nan 0.000 0.441 183 S N -1.439 114.267 115.700 0.011 0.000 2.414 183 S HA -0.180 4.290 4.470 0.000 0.000 0.227 183 S C 1.928 176.539 174.600 0.018 0.000 1.022 183 S CA 0.989 59.197 58.200 0.012 0.000 0.958 183 S CB -0.152 63.055 63.200 0.012 0.000 0.797 183 S HN 0.565 nan 8.310 nan 0.000 0.493 184 Q N -0.136 119.676 119.800 0.020 0.000 2.172 184 Q HA -0.052 4.288 4.340 0.000 0.000 0.200 184 Q C 1.786 177.804 176.000 0.030 0.000 0.964 184 Q CA 1.020 56.837 55.803 0.023 0.000 0.855 184 Q CB -0.112 28.639 28.738 0.021 0.000 0.918 184 Q HN 0.444 nan 8.270 nan 0.000 0.444 185 L N 0.334 121.576 121.223 0.030 0.000 2.217 185 L HA -0.028 4.312 4.340 0.000 0.000 0.211 185 L C 2.169 179.072 176.870 0.056 0.000 1.107 185 L CA 1.331 56.196 54.840 0.041 0.000 0.783 185 L CB -0.310 41.770 42.059 0.035 0.000 0.919 185 L HN 0.072 nan 8.230 nan 0.000 0.442 186 S N -2.108 113.616 115.700 0.040 0.000 2.671 186 S HA 0.053 4.523 4.470 0.000 0.000 0.220 186 S C 1.660 176.297 174.600 0.061 0.000 0.951 186 S CA 0.305 58.532 58.200 0.044 0.000 0.932 186 S CB -0.110 63.095 63.200 0.008 0.000 0.777 186 S HN 0.345 nan 8.310 nan 0.000 0.508 187 S N 0.959 116.693 115.700 0.057 0.000 2.575 187 S HA 0.275 4.745 4.470 0.000 0.000 0.215 187 S C 0.220 174.859 174.600 0.065 0.000 0.966 187 S CA -0.048 58.184 58.200 0.054 0.000 0.911 187 S CB 0.188 63.410 63.200 0.037 0.000 0.780 187 S HN 0.383 nan 8.310 nan 0.000 0.514 188 Q N 0.387 120.243 119.800 0.093 0.000 2.719 188 Q HA 0.620 4.960 4.340 0.000 0.000 0.376 188 Q C -0.921 175.190 176.000 0.185 0.000 0.856 188 Q CA -0.068 55.792 55.803 0.095 0.000 1.038 188 Q CB 0.576 29.355 28.738 0.067 0.000 1.418 188 Q HN 0.446 nan 8.270 nan 0.000 0.395 196 I N 1.071 121.640 120.570 -0.002 0.000 4.338 196 I HA 0.394 4.564 4.170 0.000 0.000 0.329 196 I C -0.168 175.950 176.117 0.001 0.000 1.378 196 I CA 0.129 61.429 61.300 0.000 0.000 1.170 196 I CB 0.120 38.117 38.000 -0.005 0.000 1.206 196 I HN 0.548 nan 8.210 nan 0.000 0.432 197 L N 1.212 122.436 121.223 0.001 0.000 2.611 197 L HA 0.334 4.674 4.340 0.000 0.000 0.229 197 L C 1.616 178.497 176.870 0.018 0.000 1.137 197 L CA 0.542 55.386 54.840 0.005 0.000 0.901 197 L CB -0.561 41.496 42.059 -0.003 0.000 1.098 197 L HN 0.405 nan 8.230 nan 0.000 0.456 198 G N 0.958 109.772 108.800 0.023 0.000 2.652 198 G HA2 -0.475 3.485 3.960 0.000 0.000 0.318 198 G HA3 -0.475 3.485 3.960 0.000 0.000 0.318 198 G C 1.072 175.994 174.900 0.037 0.000 1.295 198 G CA 0.635 45.752 45.100 0.028 0.000 0.999 198 G HN 0.379 nan 8.290 nan 0.000 0.548 199 A N -0.597 122.241 122.820 0.031 0.000 2.015 199 A HA 0.096 4.416 4.320 0.000 0.000 0.219 199 A C 2.313 179.920 177.584 0.038 0.000 1.163 199 A CA 1.972 54.029 52.037 0.033 0.000 0.646 199 A CB -0.265 18.749 19.000 0.024 0.000 0.806 199 A HN 0.615 nan 8.150 nan 0.000 0.448 200 R N -0.321 120.197 120.500 0.031 0.000 2.346 200 R HA 0.015 4.355 4.340 0.000 0.000 0.199 200 R C 1.848 178.170 176.300 0.036 0.000 1.015 200 R CA 0.420 56.537 56.100 0.029 0.000 1.058 200 R CB -0.242 30.069 30.300 0.018 0.000 0.921 200 R HN 0.515 nan 8.270 nan 0.000 0.475 201 G N 0.282 109.114 108.800 0.053 0.000 2.459 201 G HA2 -0.027 3.933 3.960 0.000 0.000 0.213 201 G HA3 -0.027 3.933 3.960 0.000 0.000 0.213 201 G C 0.842 175.823 174.900 0.135 0.000 1.155 201 G CA 0.277 45.417 45.100 0.066 0.000 0.811 201 G HN 0.373 nan 8.290 nan 0.000 0.534 202 G N -0.100 108.799 108.800 0.165 0.000 2.744 202 G HA2 0.342 4.302 3.960 0.000 0.000 0.257 202 G HA3 0.342 4.302 3.960 0.000 0.000 0.257 202 G C 0.074 175.093 174.900 0.198 0.000 1.244 202 G CA -0.611 44.622 45.100 0.220 0.000 0.916 202 G HN 0.330 nan 8.290 nan 0.000 0.564 203 L N 0.774 122.110 121.223 0.190 0.000 2.467 203 L HA 0.219 4.559 4.340 0.000 0.000 0.270 203 L C -1.742 175.174 176.870 0.076 0.000 1.205 203 L CA -1.379 53.542 54.840 0.136 0.000 0.828 203 L CB 0.454 42.576 42.059 0.105 0.000 1.101 203 L HN 0.293 nan 8.230 nan 0.000 0.479 204 P HA 0.228 nan 4.420 nan 0.000 0.281 204 P C 0.603 177.922 177.300 0.033 0.000 1.252 204 P CA 0.148 63.272 63.100 0.040 0.000 0.778 204 P CB 1.326 33.047 31.700 0.034 0.000 0.895 205 G N 2.053 110.868 108.800 0.025 0.000 2.232 205 G HA2 -0.067 3.893 3.960 0.000 0.000 0.226 205 G HA3 -0.067 3.893 3.960 0.000 0.000 0.226 205 G C 0.843 175.752 174.900 0.015 0.000 0.996 205 G CA 0.232 45.344 45.100 0.019 0.000 0.626 205 G HN 1.065 nan 8.290 nan 0.000 0.509 206 G N -0.879 107.932 108.800 0.019 0.000 2.179 206 G HA2 -0.195 3.765 3.960 0.000 0.000 0.260 206 G HA3 -0.195 3.765 3.960 0.000 0.000 0.260 206 G C 0.299 175.198 174.900 -0.002 0.000 0.977 206 G CA 1.237 46.344 45.100 0.012 0.000 0.641 206 G HN 1.427 nan 8.290 nan 0.000 0.533 207 Q N 0.470 120.268 119.800 -0.003 0.000 2.330 207 Q HA 0.413 4.753 4.340 0.000 0.000 0.279 207 Q C 0.306 176.275 176.000 -0.050 0.000 1.024 207 Q CA 0.130 55.921 55.803 -0.020 0.000 0.900 207 Q CB 0.569 29.298 28.738 -0.014 0.000 1.221 207 Q HN 0.326 nan 8.270 nan 0.000 0.396 208 N N 3.011 121.671 118.700 -0.067 0.000 2.462 208 N HA 0.148 4.888 4.740 0.000 0.000 0.242 208 N C 0.119 175.554 175.510 -0.124 0.000 1.010 208 N CA -0.022 52.960 53.050 -0.114 0.000 0.939 208 N CB 0.479 38.912 38.487 -0.090 0.000 1.127 208 N HN 0.683 nan 8.380 nan 0.000 0.509 209 I N 1.452 121.913 120.570 -0.182 0.000 2.142 209 I HA -0.248 3.922 4.170 0.000 0.000 0.240 209 I C 0.932 176.980 176.117 -0.115 0.000 1.078 209 I CA 1.087 62.303 61.300 -0.140 0.000 1.343 209 I CB 0.006 37.911 38.000 -0.159 0.000 1.046 209 I HN 0.494 nan 8.210 nan 0.000 0.405 210 D N 0.316 120.627 120.400 -0.148 0.000 2.263 210 D HA -0.213 4.427 4.640 0.000 0.000 0.208 210 D C 1.940 178.199 176.300 -0.070 0.000 0.971 210 D CA 1.053 54.995 54.000 -0.098 0.000 0.867 210 D CB -0.107 40.630 40.800 -0.104 0.000 0.929 210 D HN 0.483 nan 8.370 nan 0.000 0.492 211 E N -0.137 120.018 120.200 -0.075 0.000 2.190 211 E HA 0.016 4.366 4.350 0.000 0.000 0.191 211 E C 2.101 178.677 176.600 -0.041 0.000 0.978 211 E CA 0.069 56.437 56.400 -0.053 0.000 0.839 211 E CB 0.224 29.892 29.700 -0.055 0.000 0.787 211 E HN 0.188 nan 8.360 nan 0.000 0.473 212 L N 0.280 121.477 121.223 -0.043 0.000 2.209 212 L HA -0.050 4.290 4.340 0.000 0.000 0.207 212 L C 2.212 179.068 176.870 -0.024 0.000 1.094 212 L CA 0.030 54.852 54.840 -0.030 0.000 0.790 212 L CB -0.100 41.942 42.059 -0.029 0.000 0.932 212 L HN 0.210 nan 8.230 nan 0.000 0.447 213 L N -0.126 121.080 121.223 -0.028 0.000 2.187 213 L HA -0.227 4.113 4.340 0.000 0.000 0.213 213 L C 2.539 179.400 176.870 -0.015 0.000 1.100 213 L CA 1.731 56.560 54.840 -0.019 0.000 0.765 213 L CB -0.484 41.562 42.059 -0.023 0.000 0.904 213 L HN 0.296 nan 8.230 nan 0.000 0.437 214 Q N -1.125 118.664 119.800 -0.019 0.000 2.008 214 Q HA -0.199 4.141 4.340 0.000 0.000 0.196 214 Q C 2.220 178.213 176.000 -0.011 0.000 0.973 214 Q CA 1.318 57.113 55.803 -0.014 0.000 0.826 214 Q CB -0.131 28.597 28.738 -0.017 0.000 0.894 214 Q HN 0.372 nan 8.270 nan 0.000 0.439 215 K N 0.287 120.678 120.400 -0.014 0.000 2.089 215 K HA -0.225 4.095 4.320 0.000 0.000 0.210 215 K C 1.980 178.575 176.600 -0.008 0.000 1.048 215 K CA 1.774 58.054 56.287 -0.012 0.000 0.926 215 K CB -0.138 32.354 32.500 -0.014 0.000 0.714 215 K HN 0.066 nan 8.250 nan 0.000 0.448 216 M N 0.800 120.396 119.600 -0.007 0.000 2.132 216 M HA -0.119 4.361 4.480 0.000 0.000 0.263 216 M C 1.865 178.167 176.300 0.003 0.000 1.065 216 M CA 1.598 56.897 55.300 -0.001 0.000 1.122 216 M CB -0.080 32.520 32.600 0.000 0.000 1.365 216 M HN -0.008 nan 8.290 nan 0.000 0.411 217 E N -0.770 119.431 120.200 0.001 0.000 2.077 217 E HA -0.160 4.190 4.350 0.000 0.000 0.193 217 E C 2.171 178.774 176.600 0.005 0.000 0.989 217 E CA 1.474 57.876 56.400 0.004 0.000 0.800 217 E CB -0.473 29.228 29.700 0.002 0.000 0.746 217 E HN 0.523 nan 8.360 nan 0.000 0.452 218 S N -0.279 115.421 115.700 0.001 0.000 2.368 218 S HA -0.048 4.422 4.470 0.000 0.000 0.224 218 S C 2.121 176.722 174.600 0.002 0.000 1.029 218 S CA 0.751 58.951 58.200 0.000 0.000 0.988 218 S CB -0.103 63.095 63.200 -0.004 0.000 0.838 218 S HN 0.230 nan 8.310 nan 0.000 0.462 219 L N 0.723 121.947 121.223 0.001 0.000 2.156 219 L HA 0.071 4.411 4.340 0.000 0.000 0.208 219 L C 2.973 179.853 176.870 0.015 0.000 1.095 219 L CA 0.927 55.769 54.840 0.003 0.000 0.770 219 L CB -0.461 41.596 42.059 -0.003 0.000 0.914 219 L HN 0.290 nan 8.230 nan 0.000 0.439 220 R N 0.444 120.955 120.500 0.018 0.000 2.081 220 R HA -0.212 4.128 4.340 0.000 0.000 0.235 220 R C 2.170 178.484 176.300 0.024 0.000 1.131 220 R CA 1.711 57.828 56.100 0.028 0.000 0.960 220 R CB -0.082 30.234 30.300 0.025 0.000 0.856 220 R HN 0.396 nan 8.270 nan 0.000 0.436 221 E N -0.742 119.467 120.200 0.016 0.000 2.106 221 E HA -0.129 4.221 4.350 0.000 0.000 0.192 221 E C 1.341 177.948 176.600 0.012 0.000 0.984 221 E CA 1.476 57.884 56.400 0.014 0.000 0.806 221 E CB 0.123 29.830 29.700 0.011 0.000 0.750 221 E HN 0.241 nan 8.360 nan 0.000 0.458 222 T N 1.520 116.081 114.554 0.011 0.000 2.777 222 T HA -0.091 4.259 4.350 0.000 0.000 0.266 222 T C 1.827 176.530 174.700 0.005 0.000 1.040 222 T CA 0.721 62.827 62.100 0.010 0.000 1.141 222 T CB -0.028 68.844 68.868 0.006 0.000 0.868 222 T HN 0.146 nan 8.240 nan 0.000 0.444 223 I N 1.288 121.871 120.570 0.021 0.000 2.226 223 I HA -0.110 4.060 4.170 0.000 0.000 0.245 223 I C 2.609 178.718 176.117 -0.013 0.000 1.100 223 I CA 1.254 62.574 61.300 0.034 0.000 1.374 223 I CB -1.084 36.972 38.000 0.093 0.000 1.057 223 I HN 0.180 nan 8.210 nan 0.000 0.413 224 S N 0.131 115.832 115.700 0.001 0.000 2.368 224 S HA -0.171 4.299 4.470 0.000 0.000 0.225 224 S C 1.813 176.394 174.600 -0.031 0.000 1.030 224 S CA 1.036 59.231 58.200 -0.007 0.000 0.999 224 S CB -0.077 63.130 63.200 0.013 0.000 0.844 224 S HN 0.428 nan 8.310 nan 0.000 0.459 225 E N 0.429 120.616 120.200 -0.021 0.000 2.021 225 E HA -0.156 4.194 4.350 0.000 0.000 0.200 225 E C 2.109 178.671 176.600 -0.063 0.000 1.015 225 E CA 1.621 58.014 56.400 -0.012 0.000 0.824 225 E CB -0.290 29.419 29.700 0.016 0.000 0.762 225 E HN 0.263 nan 8.360 nan 0.000 0.454 226 V N 2.140 121.970 119.914 -0.140 0.000 2.392 226 V HA -0.279 3.841 4.120 0.000 0.000 0.249 226 V C 2.195 177.830 176.094 -0.764 0.000 1.059 226 V CA 1.710 63.770 62.300 -0.401 0.000 1.051 226 V CB -0.655 30.870 31.823 -0.496 0.000 0.658 226 V HN 0.359 nan 8.190 nan 0.000 0.455 227 N N 0.586 118.999 118.700 -0.478 0.000 2.142 227 N HA -0.157 4.583 4.740 0.000 0.000 0.186 227 N C 1.952 177.398 175.510 -0.107 0.000 1.023 227 N CA 2.058 54.895 53.050 -0.355 0.000 0.852 227 N CB 0.035 38.455 38.487 -0.112 0.000 0.998 227 N HN 0.678 nan 8.380 nan 0.000 0.424 228 T N -1.707 112.818 114.554 -0.047 0.000 3.035 228 T HA 0.015 4.365 4.350 0.000 0.000 0.268 228 T C 1.763 176.513 174.700 0.084 0.000 1.109 228 T CA 0.644 62.767 62.100 0.039 0.000 1.119 228 T CB 0.010 68.901 68.868 0.038 0.000 0.900 228 T HN 0.219 nan 8.240 nan 0.000 0.503 229 Q N -0.338 119.500 119.800 0.064 0.000 2.083 229 Q HA 0.032 4.372 4.340 0.000 0.000 0.198 229 Q C 1.884 178.093 176.000 0.348 0.000 0.969 229 Q CA 1.034 56.956 55.803 0.199 0.000 0.838 229 Q CB -0.232 28.664 28.738 0.263 0.000 0.900 229 Q HN 0.450 nan 8.270 nan 0.000 0.436 230 F N 1.578 121.570 119.950 0.070 0.000 2.120 230 F HA -0.188 4.339 4.527 0.000 0.000 0.300 230 F C 1.846 177.732 175.800 0.144 0.000 1.095 230 F CA 1.284 59.355 58.000 0.118 0.000 1.249 230 F CB -0.430 38.614 39.000 0.073 0.000 0.995 230 F HN 0.008 nan 8.300 nan 0.000 0.480 231 K N -0.172 120.411 120.400 0.305 0.000 2.505 231 K HA -0.056 4.264 4.320 0.000 0.000 0.192 231 K C 0.342 177.040 176.600 0.164 0.000 1.025 231 K CA -0.008 56.399 56.287 0.200 0.000 1.086 231 K CB -0.316 32.275 32.500 0.151 0.000 0.840 231 K HN 0.001 nan 8.250 nan 0.000 0.514 232 N N 1.220 120.034 118.700 0.191 0.000 2.457 232 N HA 0.124 4.864 4.740 0.000 0.000 0.250 232 N C -2.284 173.324 175.510 0.164 0.000 0.982 232 N CA -2.455 50.688 53.050 0.156 0.000 0.941 232 N CB 1.600 40.178 38.487 0.152 0.000 1.120 232 N HN -0.231 nan 8.380 nan 0.000 0.505 233 P HA -0.085 nan 4.420 nan 0.000 0.217 233 P C 0.284 177.652 177.300 0.114 0.000 1.148 233 P CA 1.081 64.252 63.100 0.118 0.000 0.828 233 P CB 0.418 32.162 31.700 0.075 0.000 0.783 234 D N -1.752 118.708 120.400 0.099 0.000 2.219 234 D HA -0.048 4.592 4.640 0.000 0.000 0.205 234 D C 1.732 178.098 176.300 0.109 0.000 0.970 234 D CA 1.204 55.255 54.000 0.085 0.000 0.851 234 D CB -0.281 40.559 40.800 0.068 0.000 0.943 234 D HN 0.283 nan 8.370 nan 0.000 0.488 235 M N -1.068 118.626 119.600 0.156 0.000 2.571 235 M HA 0.089 4.569 4.480 0.000 0.000 0.259 235 M C -0.038 176.422 176.300 0.266 0.000 1.205 235 M CA 0.614 56.033 55.300 0.198 0.000 1.138 235 M CB 1.052 33.802 32.600 0.250 0.000 1.329 235 M HN -0.302 nan 8.290 nan 0.000 0.503 236 T N 0.276 114.995 114.554 0.275 0.000 2.991 236 T HA 0.420 4.770 4.350 0.000 0.000 0.303 236 T C -0.760 174.096 174.700 0.260 0.000 1.015 236 T CA -0.426 61.862 62.100 0.314 0.000 1.007 236 T CB 2.625 71.741 68.868 0.414 0.000 1.034 236 T HN 0.019 nan 8.240 nan 0.000 0.446 237 T N 2.100 116.801 114.554 0.244 0.000 2.896 237 T HA 0.758 5.108 4.350 0.000 0.000 0.297 237 T C -1.882 172.980 174.700 0.270 0.000 1.108 237 T CA -0.632 61.608 62.100 0.232 0.000 1.004 237 T CB 1.136 70.113 68.868 0.182 0.000 1.159 237 T HN 0.440 nan 8.240 nan 0.000 0.499 238 F N 3.407 123.406 119.950 0.083 0.000 2.467 238 F HA 0.713 5.240 4.527 -0.000 0.000 0.336 238 F C -0.859 174.935 175.800 -0.009 0.000 1.123 238 F CA -0.601 57.445 58.000 0.077 0.000 0.964 238 F CB 1.491 40.479 39.000 -0.021 0.000 1.136 238 F HN 0.336 nan 8.300 nan 0.000 0.447 239 V N 5.511 125.378 119.914 -0.078 0.000 2.370 239 V HA 0.278 4.398 4.120 0.000 0.000 0.283 239 V C -0.421 175.714 176.094 0.069 0.000 1.023 239 V CA -0.737 61.557 62.300 -0.011 0.000 0.857 239 V CB 1.086 32.859 31.823 -0.083 0.000 0.985 239 V HN 0.867 nan 8.190 nan 0.000 0.443 240 C N 5.133 124.527 119.300 0.157 0.000 2.370 240 C HA 0.764 5.224 4.460 0.000 0.000 0.354 240 C C 0.323 175.338 174.990 0.041 0.000 1.218 240 C CA -0.586 58.518 59.018 0.143 0.000 2.154 240 C CB 1.059 28.839 27.740 0.068 0.000 2.391 240 C HN 0.664 nan 8.230 nan 0.000 0.540 241 V N 1.898 121.832 119.914 0.032 0.000 2.864 241 V HA 0.825 4.945 4.120 0.000 0.000 0.314 241 V C -0.007 176.078 176.094 -0.015 0.000 1.073 241 V CA -0.355 61.951 62.300 0.011 0.000 0.956 241 V CB 1.524 33.361 31.823 0.023 0.000 1.023 241 V HN 1.203 nan 8.190 nan 0.000 0.435 242 C N 2.618 121.904 119.300 -0.024 0.000 3.303 242 C HA 0.719 5.179 4.460 0.000 0.000 0.340 242 C C -0.840 174.125 174.990 -0.042 0.000 1.274 242 C CA -0.958 58.032 59.018 -0.047 0.000 1.234 242 C CB 0.230 27.922 27.740 -0.079 0.000 1.532 242 C HN 0.793 nan 8.230 nan 0.000 0.483 243 I N 1.551 122.085 120.570 -0.059 0.000 2.934 243 I HA 0.556 4.726 4.170 0.000 0.000 0.315 243 I C 1.078 177.135 176.117 -0.101 0.000 0.997 243 I CA -0.359 60.902 61.300 -0.065 0.000 1.184 243 I CB 1.220 39.180 38.000 -0.067 0.000 1.400 243 I HN 0.957 nan 8.210 nan 0.000 0.549 244 A N 3.279 126.043 122.820 -0.095 0.000 3.168 244 A HA 0.286 4.606 4.320 0.000 0.000 0.260 244 A C -0.053 177.329 177.584 -0.337 0.000 1.598 244 A CA -0.193 51.765 52.037 -0.131 0.000 1.285 244 A CB -0.742 18.266 19.000 0.013 0.000 1.149 244 A HN 0.621 nan 8.150 nan 0.000 0.630 245 E N -0.901 119.029 120.200 -0.450 0.000 2.339 245 E HA 0.335 4.685 4.350 0.000 0.000 0.262 245 E C 0.109 176.328 176.600 -0.634 0.000 0.934 245 E CA -0.734 55.326 56.400 -0.565 0.000 0.802 245 E CB 0.874 30.459 29.700 -0.192 0.000 1.275 245 E HN 0.286 nan 8.360 nan 0.000 0.427 246 F N 1.154 120.774 119.950 -0.549 0.000 2.039 246 F HA -0.085 4.442 4.527 0.000 0.000 0.294 246 F C 2.021 177.773 175.800 -0.081 0.000 1.130 246 F CA 1.432 59.296 58.000 -0.226 0.000 1.189 246 F CB -0.227 38.778 39.000 0.009 0.000 0.983 246 F HN 0.371 nan 8.300 nan 0.000 0.471 247 L N -0.572 120.672 121.223 0.035 0.000 2.197 247 L HA -0.281 4.059 4.340 0.000 0.000 0.215 247 L C 2.605 179.440 176.870 -0.059 0.000 1.095 247 L CA 1.549 56.389 54.840 -0.002 0.000 0.764 247 L CB -0.749 41.353 42.059 0.071 0.000 0.897 247 L HN 0.279 nan 8.230 nan 0.000 0.436 248 S N -0.768 114.860 115.700 -0.120 0.000 2.404 248 S HA -0.007 4.463 4.470 0.000 0.000 0.223 248 S C 1.801 176.309 174.600 -0.153 0.000 1.040 248 S CA 0.193 58.323 58.200 -0.116 0.000 0.957 248 S CB 0.062 63.198 63.200 -0.108 0.000 0.826 248 S HN 0.163 nan 8.310 nan 0.000 0.491 249 L N 1.070 122.169 121.223 -0.207 0.000 2.127 249 L HA -0.025 4.315 4.340 0.000 0.000 0.211 249 L C 2.074 178.834 176.870 -0.184 0.000 1.089 249 L CA 1.661 56.398 54.840 -0.171 0.000 0.757 249 L CB -1.015 40.949 42.059 -0.159 0.000 0.899 249 L HN 0.504 nan 8.230 nan 0.000 0.434 250 Y N 0.485 120.517 120.300 -0.447 0.000 2.109 250 Y HA -0.241 4.309 4.550 0.000 0.000 0.285 250 Y C 2.604 178.364 175.900 -0.234 0.000 1.131 250 Y CA 1.874 59.719 58.100 -0.424 0.000 1.121 250 Y CB -0.226 37.863 38.460 -0.618 0.000 0.987 250 Y HN 0.184 nan 8.280 nan 0.000 0.495 251 E N -0.570 119.460 120.200 -0.284 0.000 2.267 251 E HA -0.140 4.210 4.350 0.000 0.000 0.197 251 E C 2.029 178.458 176.600 -0.285 0.000 0.998 251 E CA 1.750 57.960 56.400 -0.316 0.000 0.830 251 E CB -0.240 29.387 29.700 -0.122 0.000 0.751 251 E HN 0.521 nan 8.360 nan 0.000 0.491 252 T N 0.053 114.468 114.554 -0.231 0.000 2.809 252 T HA -0.147 4.203 4.350 0.000 0.000 0.260 252 T C 1.589 176.169 174.700 -0.200 0.000 1.039 252 T CA 1.335 63.317 62.100 -0.197 0.000 1.141 252 T CB -0.235 68.526 68.868 -0.179 0.000 0.869 252 T HN 0.498 nan 8.240 nan 0.000 0.437 253 E N 1.527 121.630 120.200 -0.162 0.000 2.153 253 E HA -0.175 4.175 4.350 0.000 0.000 0.194 253 E C 2.221 178.701 176.600 -0.200 0.000 0.988 253 E CA 1.000 57.343 56.400 -0.095 0.000 0.811 253 E CB -0.208 29.455 29.700 -0.061 0.000 0.746 253 E HN 0.354 nan 8.360 nan 0.000 0.466 254 R N 0.218 120.509 120.500 -0.348 0.000 2.092 254 R HA -0.037 4.303 4.340 0.000 0.000 0.231 254 R C 2.350 178.490 176.300 -0.266 0.000 1.119 254 R CA 1.551 57.431 56.100 -0.365 0.000 0.970 254 R CB -0.179 29.781 30.300 -0.567 0.000 0.864 254 R HN 0.360 nan 8.270 nan 0.000 0.440 255 M N 0.074 119.517 119.600 -0.262 0.000 2.388 255 M HA 0.001 4.481 4.480 0.000 0.000 0.265 255 M C 1.562 177.685 176.300 -0.295 0.000 1.088 255 M CA 1.230 56.366 55.300 -0.273 0.000 1.134 255 M CB 0.220 32.663 32.600 -0.261 0.000 1.384 255 M HN 0.193 nan 8.290 nan 0.000 0.447 256 I N 0.024 120.461 120.570 -0.223 0.000 2.353 256 I HA -0.267 3.903 4.170 0.000 0.000 0.248 256 I C 2.236 178.286 176.117 -0.111 0.000 1.119 256 I CA 1.041 62.247 61.300 -0.156 0.000 1.417 256 I CB -0.456 37.515 38.000 -0.049 0.000 1.078 256 I HN 0.412 nan 8.210 nan 0.000 0.421 257 Q N 0.625 120.358 119.800 -0.112 0.000 2.020 257 Q HA -0.256 4.084 4.340 0.000 0.000 0.202 257 Q C 2.206 178.143 176.000 -0.104 0.000 0.982 257 Q CA 1.649 57.397 55.803 -0.091 0.000 0.838 257 Q CB -0.133 28.545 28.738 -0.101 0.000 0.899 257 Q HN 0.426 nan 8.270 nan 0.000 0.423 258 E N 0.379 120.499 120.200 -0.133 0.000 2.153 258 E HA -0.180 4.170 4.350 0.000 0.000 0.194 258 E C 1.981 178.548 176.600 -0.055 0.000 0.988 258 E CA 0.589 56.929 56.400 -0.099 0.000 0.811 258 E CB 0.048 29.678 29.700 -0.117 0.000 0.746 258 E HN 0.318 nan 8.360 nan 0.000 0.466 259 L N -0.023 121.096 121.223 -0.173 0.000 2.027 259 L HA -0.154 4.186 4.340 0.000 0.000 0.206 259 L C 2.587 179.412 176.870 -0.075 0.000 1.074 259 L CA 1.365 56.080 54.840 -0.208 0.000 0.745 259 L CB -0.392 41.419 42.059 -0.414 0.000 0.898 259 L HN 0.126 nan 8.230 nan 0.000 0.433 260 T N -0.829 113.689 114.554 -0.061 0.000 2.788 260 T HA -0.190 4.160 4.350 0.000 0.000 0.268 260 T C 2.106 176.792 174.700 -0.024 0.000 1.044 260 T CA 1.569 63.658 62.100 -0.019 0.000 1.139 260 T CB -0.226 68.642 68.868 -0.001 0.000 0.867 260 T HN 0.550 nan 8.240 nan 0.000 0.454 261 S N 0.856 116.522 115.700 -0.056 0.000 2.356 261 S HA -0.147 4.323 4.470 0.000 0.000 0.223 261 S C 1.825 176.351 174.600 -0.124 0.000 1.032 261 S CA 0.936 59.067 58.200 -0.114 0.000 1.005 261 S CB -1.006 62.081 63.200 -0.189 0.000 0.867 261 S HN 0.519 nan 8.310 nan 0.000 0.449 262 Y N 2.555 122.797 120.300 -0.096 0.000 2.574 262 Y HA 0.215 4.765 4.550 -0.000 0.000 0.294 262 Y C 2.023 177.900 175.900 -0.038 0.000 1.142 262 Y CA 0.412 58.465 58.100 -0.079 0.000 1.314 262 Y CB -0.648 37.739 38.460 -0.121 0.000 0.991 262 Y HN 0.572 nan 8.280 nan 0.000 0.555 263 G N 0.590 109.442 108.800 0.087 0.000 2.149 263 G HA2 -0.284 3.676 3.960 0.000 0.000 0.235 263 G HA3 -0.284 3.676 3.960 0.000 0.000 0.235 263 G C -0.052 174.900 174.900 0.086 0.000 1.018 263 G CA 0.029 45.172 45.100 0.071 0.000 0.728 263 G HN 0.305 nan 8.290 nan 0.000 0.508 264 I N 0.976 121.584 120.570 0.063 0.000 2.315 264 I HA 0.250 4.420 4.170 0.000 0.000 0.291 264 I C 0.457 176.608 176.117 0.056 0.000 1.006 264 I CA -0.788 60.547 61.300 0.059 0.000 1.265 264 I CB 1.204 39.182 38.000 -0.037 0.000 1.387 264 I HN 0.166 nan 8.210 nan 0.000 0.475 265 D N 4.580 125.046 120.400 0.110 0.000 2.455 265 D HA 0.065 4.705 4.640 0.000 0.000 0.241 265 D C -0.376 176.002 176.300 0.130 0.000 1.138 265 D CA 0.802 54.869 54.000 0.112 0.000 0.877 265 D CB 0.788 41.671 40.800 0.139 0.000 1.187 265 D HN 0.496 nan 8.370 nan 0.000 0.451 266 T N 2.301 116.903 114.554 0.081 0.000 3.071 266 T HA 0.412 4.762 4.350 0.000 0.000 0.311 266 T C -0.745 173.838 174.700 -0.194 0.000 1.042 266 T CA -0.634 61.501 62.100 0.058 0.000 1.028 266 T CB 0.370 69.317 68.868 0.130 0.000 1.068 266 T HN 0.664 nan 8.240 nan 0.000 0.451 267 H N 2.090 120.941 119.070 -0.365 0.000 3.109 267 H HA 0.759 5.315 4.556 0.000 0.000 0.248 267 H C -0.568 174.522 175.328 -0.396 0.000 1.177 267 H CA -0.211 55.335 56.048 -0.836 0.000 0.977 267 H CB -0.024 29.464 29.762 -0.457 0.000 2.165 267 H HN 0.626 nan 8.280 nan 0.000 0.693 268 A N 1.268 123.944 122.820 -0.240 0.000 2.459 268 A HA 0.635 4.955 4.320 0.000 0.000 0.296 268 A C -1.387 176.283 177.584 0.143 0.000 1.039 268 A CA -0.655 51.371 52.037 -0.018 0.000 0.698 268 A CB 1.081 19.943 19.000 -0.230 0.000 1.261 268 A HN 0.331 nan 8.150 nan 0.000 0.405 269 I N 2.521 123.173 120.570 0.136 0.000 2.436 269 I HA 0.374 4.544 4.170 0.000 0.000 0.289 269 I C -0.780 175.345 176.117 0.013 0.000 1.010 269 I CA -1.004 60.301 61.300 0.009 0.000 1.098 269 I CB 2.116 40.018 38.000 -0.163 0.000 1.266 269 I HN 0.317 nan 8.210 nan 0.000 0.434 270 V N 7.266 127.184 119.914 0.007 0.000 2.333 270 V HA 0.214 4.334 4.120 0.000 0.000 0.274 270 V C 0.110 176.215 176.094 0.018 0.000 1.028 270 V CA -0.575 61.739 62.300 0.023 0.000 0.851 270 V CB 1.587 33.433 31.823 0.038 0.000 1.000 270 V HN 0.404 nan 8.190 nan 0.000 0.456 271 V N 5.341 125.269 119.914 0.024 0.000 2.320 271 V HA 0.296 4.416 4.120 0.000 0.000 0.265 271 V C 0.377 176.485 176.094 0.025 0.000 1.048 271 V CA -0.446 61.862 62.300 0.014 0.000 0.865 271 V CB 0.788 32.621 31.823 0.016 0.000 1.043 271 V HN 0.857 nan 8.190 nan 0.000 0.474 272 N N 2.742 121.460 118.700 0.030 0.000 2.434 272 N HA 0.273 5.013 4.740 0.000 0.000 0.266 272 N C 0.353 175.874 175.510 0.018 0.000 1.223 272 N CA -0.183 52.903 53.050 0.061 0.000 0.972 272 N CB 0.618 39.159 38.487 0.090 0.000 1.207 272 N HN 0.642 nan 8.380 nan 0.000 0.525 273 Q N -0.908 118.912 119.800 0.034 0.000 2.475 273 Q HA -0.213 4.127 4.340 0.000 0.000 0.280 273 Q C -0.843 175.119 176.000 -0.062 0.000 1.234 273 Q CA 0.343 56.143 55.803 -0.005 0.000 0.873 273 Q CB -1.849 26.884 28.738 -0.009 0.000 1.256 273 Q HN 0.470 nan 8.270 nan 0.000 0.475 274 L N 0.763 121.911 121.223 -0.125 0.000 2.371 274 L HA 0.350 4.690 4.340 0.000 0.000 0.272 274 L C 0.618 177.269 176.870 -0.365 0.000 1.124 274 L CA -0.426 54.248 54.840 -0.276 0.000 0.816 274 L CB 0.565 42.364 42.059 -0.434 0.000 1.129 274 L HN 0.144 nan 8.230 nan 0.000 0.448 275 L N 2.811 123.845 121.223 -0.315 0.000 2.312 275 L HA 0.405 4.745 4.340 0.000 0.000 0.281 275 L C -0.615 176.063 176.870 -0.320 0.000 1.070 275 L CA -0.159 54.556 54.840 -0.209 0.000 0.805 275 L CB 0.787 42.800 42.059 -0.077 0.000 1.174 275 L HN 0.357 nan 8.230 nan 0.000 0.434 276 F N 1.738 121.739 119.950 0.084 0.000 2.556 276 F HA 0.592 5.119 4.527 0.000 0.000 0.327 276 F C -1.379 174.475 175.800 0.091 0.000 1.059 276 F CA -1.950 56.119 58.000 0.115 0.000 0.953 276 F CB 0.396 39.524 39.000 0.213 0.000 1.227 276 F HN 0.330 nan 8.300 nan 0.000 0.478 283 C N 0.510 119.824 119.300 0.023 0.000 2.291 283 C HA 0.761 5.221 4.460 0.000 0.000 0.322 283 C C 1.100 176.103 174.990 0.020 0.000 1.205 283 C CA -0.522 58.509 59.018 0.021 0.000 1.495 283 C CB 0.954 28.708 27.740 0.023 0.000 2.127 283 C HN 0.462 nan 8.230 nan 0.000 0.452 284 E N 1.906 122.116 120.200 0.017 0.000 2.028 284 E HA -0.263 4.087 4.350 0.000 0.000 0.191 284 E C 2.080 178.689 176.600 0.015 0.000 0.988 284 E CA 1.618 58.027 56.400 0.015 0.000 0.799 284 E CB -0.084 29.623 29.700 0.012 0.000 0.755 284 E HN 0.929 nan 8.360 nan 0.000 0.447 285 Q N 0.040 119.848 119.800 0.013 0.000 2.181 285 Q HA -0.191 4.149 4.340 0.000 0.000 0.205 285 Q C 2.234 178.243 176.000 0.015 0.000 0.980 285 Q CA 1.618 57.428 55.803 0.012 0.000 0.862 285 Q CB -0.287 28.457 28.738 0.011 0.000 0.905 285 Q HN 0.400 nan 8.270 nan 0.000 0.429 286 C N 0.822 120.133 119.300 0.018 0.000 2.435 286 C HA -0.052 4.408 4.460 0.000 0.000 0.279 286 C C 2.322 177.325 174.990 0.021 0.000 1.321 286 C CA 0.852 59.882 59.018 0.020 0.000 1.752 286 C CB -1.245 26.510 27.740 0.025 0.000 1.959 286 C HN 0.601 nan 8.230 nan 0.000 0.500 287 N N 0.979 119.692 118.700 0.022 0.000 2.166 287 N HA -0.077 4.663 4.740 0.000 0.000 0.186 287 N C 1.863 177.383 175.510 0.016 0.000 1.019 287 N CA 1.644 54.707 53.050 0.022 0.000 0.856 287 N CB -0.430 38.070 38.487 0.022 0.000 0.993 287 N HN 0.637 nan 8.380 nan 0.000 0.426 288 A N 0.948 123.776 122.820 0.013 0.000 1.898 288 A HA -0.109 4.211 4.320 0.000 0.000 0.216 288 A C 2.242 179.832 177.584 0.009 0.000 1.181 288 A CA 1.461 53.502 52.037 0.008 0.000 0.620 288 A CB -0.440 18.563 19.000 0.006 0.000 0.819 288 A HN 0.214 nan 8.150 nan 0.000 0.442 289 R N 0.029 120.538 120.500 0.015 0.000 2.152 289 R HA -0.073 4.267 4.340 0.000 0.000 0.232 289 R C 2.150 178.462 176.300 0.021 0.000 1.117 289 R CA 1.861 57.974 56.100 0.022 0.000 0.981 289 R CB -0.473 29.840 30.300 0.021 0.000 0.870 289 R HN 0.548 nan 8.270 nan 0.000 0.451 290 R N 0.071 120.579 120.500 0.014 0.000 2.093 290 R HA 0.013 4.353 4.340 0.000 0.000 0.224 290 R C 1.718 178.024 176.300 0.009 0.000 1.101 290 R CA 1.180 57.284 56.100 0.007 0.000 0.979 290 R CB 0.002 30.309 30.300 0.012 0.000 0.877 290 R HN 0.130 nan 8.270 nan 0.000 0.441 291 K N 0.095 120.499 120.400 0.007 0.000 2.103 291 K HA -0.146 4.174 4.320 0.000 0.000 0.207 291 K C 2.061 178.648 176.600 -0.022 0.000 1.048 291 K CA 1.735 58.019 56.287 -0.004 0.000 0.930 291 K CB -0.046 32.449 32.500 -0.008 0.000 0.716 291 K HN 0.289 nan 8.250 nan 0.000 0.444 292 M N 0.277 119.865 119.600 -0.020 0.000 2.200 292 M HA -0.164 4.316 4.480 0.000 0.000 0.265 292 M C 2.133 178.432 176.300 -0.001 0.000 1.066 292 M CA 1.447 56.714 55.300 -0.055 0.000 1.127 292 M CB -0.202 32.393 32.600 -0.009 0.000 1.379 292 M HN 0.160 nan 8.290 nan 0.000 0.420 293 Q N 0.375 120.217 119.800 0.070 0.000 2.124 293 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 293 Q C 2.067 178.113 176.000 0.076 0.000 0.977 293 Q CA 1.380 57.251 55.803 0.113 0.000 0.850 293 Q CB -0.116 28.642 28.738 0.034 0.000 0.901 293 Q HN 0.431 nan 8.270 nan 0.000 0.429 294 K N 1.004 121.421 120.400 0.029 0.000 2.063 294 K HA -0.219 4.101 4.320 0.000 0.000 0.208 294 K C 1.888 178.498 176.600 0.017 0.000 1.048 294 K CA 1.465 57.768 56.287 0.026 0.000 0.928 294 K CB 0.122 32.631 32.500 0.016 0.000 0.713 294 K HN -0.029 nan 8.250 nan 0.000 0.442 295 K N -0.437 119.941 120.400 -0.036 0.000 1.978 295 K HA -0.172 4.148 4.320 0.000 0.000 0.214 295 K C 2.103 178.684 176.600 -0.031 0.000 1.049 295 K CA 2.038 58.271 56.287 -0.089 0.000 0.939 295 K CB -0.363 32.005 32.500 -0.219 0.000 0.721 295 K HN 0.119 nan 8.250 nan 0.000 0.441 296 Y N 0.439 120.762 120.300 0.037 0.000 2.193 296 Y HA -0.211 4.339 4.550 -0.000 0.000 0.285 296 Y C 2.005 177.929 175.900 0.041 0.000 1.166 296 Y CA 0.903 59.032 58.100 0.048 0.000 1.181 296 Y CB -0.376 38.114 38.460 0.051 0.000 0.976 296 Y HN 0.055 nan 8.280 nan 0.000 0.520 297 L N -0.019 121.314 121.223 0.183 0.000 2.156 297 L HA -0.102 4.238 4.340 0.000 0.000 0.208 297 L C 1.974 178.903 176.870 0.099 0.000 1.095 297 L CA 1.535 56.449 54.840 0.123 0.000 0.770 297 L CB -0.624 41.488 42.059 0.089 0.000 0.914 297 L HN 0.203 nan 8.230 nan 0.000 0.439 298 E N -1.317 118.930 120.200 0.078 0.000 2.072 298 E HA -0.219 4.131 4.350 0.000 0.000 0.190 298 E C 2.074 178.705 176.600 0.052 0.000 0.982 298 E CA 0.890 57.323 56.400 0.056 0.000 0.803 298 E CB -0.064 29.656 29.700 0.033 0.000 0.755 298 E HN 0.566 nan 8.360 nan 0.000 0.453 299 Q N 0.526 120.366 119.800 0.066 0.000 2.045 299 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 299 Q C 2.318 178.338 176.000 0.033 0.000 0.991 299 Q CA 1.469 57.305 55.803 0.055 0.000 0.851 299 Q CB -0.227 28.579 28.738 0.113 0.000 0.911 299 Q HN 0.349 nan 8.270 nan 0.000 0.418 300 I N 0.789 121.417 120.570 0.096 0.000 2.226 300 I HA -0.255 3.915 4.170 0.000 0.000 0.245 300 I C 2.176 178.374 176.117 0.134 0.000 1.100 300 I CA 0.957 62.351 61.300 0.155 0.000 1.374 300 I CB -0.357 37.752 38.000 0.182 0.000 1.057 300 I HN 0.166 nan 8.210 nan 0.000 0.413 301 E N 0.566 120.827 120.200 0.101 0.000 2.204 301 E HA -0.252 4.098 4.350 0.000 0.000 0.195 301 E C 1.927 178.562 176.600 0.057 0.000 0.990 301 E CA 1.114 57.570 56.400 0.094 0.000 0.821 301 E CB -0.125 29.624 29.700 0.081 0.000 0.750 301 E HN 0.593 nan 8.360 nan 0.000 0.477 302 E N 0.350 120.556 120.200 0.011 0.000 2.042 302 E HA -0.043 4.307 4.350 0.000 0.000 0.189 302 E C 2.334 178.872 176.600 -0.104 0.000 0.974 302 E CA 0.121 56.505 56.400 -0.027 0.000 0.806 302 E CB 0.107 29.790 29.700 -0.028 0.000 0.769 302 E HN 0.116 nan 8.360 nan 0.000 0.451 303 L N 0.117 121.195 121.223 -0.242 0.000 2.012 303 L HA -0.174 4.166 4.340 0.000 0.000 0.210 303 L C 0.853 177.369 176.870 -0.590 0.000 1.073 303 L CA 1.184 55.707 54.840 -0.528 0.000 0.748 303 L CB -0.349 41.153 42.059 -0.929 0.000 0.891 303 L HN 0.254 nan 8.230 nan 0.000 0.431 304 Y N -0.669 119.571 120.300 -0.101 0.000 2.783 304 Y HA 0.170 4.720 4.550 -0.000 0.000 0.382 304 Y C 1.455 177.427 175.900 0.120 0.000 1.076 304 Y CA -0.511 57.520 58.100 -0.115 0.000 1.530 304 Y CB -0.257 37.901 38.460 -0.503 0.000 1.546 304 Y HN 0.096 nan 8.280 nan 0.000 0.537 305 E N 0.579 120.894 120.200 0.192 0.000 2.106 305 E HA -0.180 4.170 4.350 0.000 0.000 0.192 305 E C 0.710 177.450 176.600 0.233 0.000 0.984 305 E CA 1.387 57.891 56.400 0.173 0.000 0.806 305 E CB 0.280 30.040 29.700 0.100 0.000 0.750 305 E HN 0.511 nan 8.360 nan 0.000 0.458 306 D N -0.622 119.967 120.400 0.315 0.000 2.363 306 D HA -0.001 4.639 4.640 0.000 0.000 0.226 306 D C -0.309 176.151 176.300 0.268 0.000 1.020 306 D CA 0.510 54.664 54.000 0.257 0.000 0.892 306 D CB -0.041 40.890 40.800 0.218 0.000 0.900 306 D HN 0.107 nan 8.370 nan 0.000 0.531 307 F N 0.839 120.885 119.950 0.160 0.000 2.403 307 F HA 0.256 4.783 4.527 0.000 0.000 0.326 307 F C 1.077 176.956 175.800 0.131 0.000 1.081 307 F CA -1.214 56.880 58.000 0.157 0.000 1.041 307 F CB 0.866 39.947 39.000 0.135 0.000 1.234 307 F HN -0.358 nan 8.300 nan 0.000 0.503 308 N N 1.690 120.553 118.700 0.271 0.000 2.420 308 N HA 0.155 4.895 4.740 0.000 0.000 0.262 308 N C -0.965 174.655 175.510 0.183 0.000 1.144 308 N CA -0.019 53.144 53.050 0.189 0.000 0.952 308 N CB 1.428 40.000 38.487 0.141 0.000 1.081 308 N HN 0.176 nan 8.380 nan 0.000 0.480 309 V N 3.399 123.407 119.914 0.157 0.000 2.288 309 V HA 0.171 4.291 4.120 0.000 0.000 0.266 309 V C 0.423 176.573 176.094 0.095 0.000 1.048 309 V CA -0.736 61.637 62.300 0.123 0.000 0.842 309 V CB 1.041 32.942 31.823 0.131 0.000 1.064 309 V HN 0.265 nan 8.190 nan 0.000 0.472 310 V N 6.391 126.349 119.914 0.073 0.000 2.465 310 V HA 0.417 4.537 4.120 0.000 0.000 0.279 310 V C 0.453 176.588 176.094 0.069 0.000 1.045 310 V CA -0.526 61.811 62.300 0.062 0.000 0.938 310 V CB 1.362 33.206 31.823 0.034 0.000 0.986 310 V HN 0.785 nan 8.190 nan 0.000 0.467 311 R N 5.625 126.186 120.500 0.102 0.000 2.295 311 R HA 0.649 4.989 4.340 0.000 0.000 0.324 311 R C -0.849 175.538 176.300 0.144 0.000 0.968 311 R CA -0.586 55.602 56.100 0.146 0.000 0.837 311 R CB 1.357 31.810 30.300 0.255 0.000 1.133 311 R HN 0.505 nan 8.270 nan 0.000 0.450 312 M N 3.866 123.516 119.600 0.083 0.000 2.383 312 M HA 0.428 4.908 4.480 0.000 0.000 0.325 312 M C -2.509 173.819 176.300 0.047 0.000 1.092 312 M CA -3.215 52.090 55.300 0.009 0.000 0.961 312 M CB 1.645 34.232 32.600 -0.023 0.000 1.672 312 M HN 0.232 nan 8.290 nan 0.000 0.438 313 P HA 0.312 nan 4.420 nan 0.000 0.284 313 P C -0.513 176.778 177.300 -0.015 0.000 1.253 313 P CA -0.735 62.341 63.100 -0.041 0.000 0.800 313 P CB 0.649 32.076 31.700 -0.454 0.000 0.961 314 L N 4.066 125.280 121.223 -0.014 0.000 2.513 314 L HA 0.089 4.429 4.340 0.000 0.000 0.272 314 L C -0.602 176.282 176.870 0.023 0.000 1.187 314 L CA 0.582 55.431 54.840 0.014 0.000 0.895 314 L CB -0.681 41.375 42.059 -0.004 0.000 1.147 314 L HN 0.212 nan 8.230 nan 0.000 0.483 315 L N 5.359 126.608 121.223 0.043 0.000 2.416 315 L HA 0.280 4.620 4.340 0.000 0.000 0.262 315 L C 1.143 178.030 176.870 0.028 0.000 1.093 315 L CA -0.887 53.980 54.840 0.044 0.000 0.801 315 L CB 1.343 43.446 42.059 0.073 0.000 1.191 315 L HN 0.471 nan 8.230 nan 0.000 0.459 316 V N -0.228 119.706 119.914 0.033 0.000 2.871 316 V HA -0.011 4.109 4.120 0.000 0.000 0.256 316 V C 0.668 176.771 176.094 0.014 0.000 1.082 316 V CA 1.128 63.443 62.300 0.026 0.000 1.105 316 V CB -0.528 31.315 31.823 0.033 0.000 0.713 316 V HN 0.718 nan 8.190 nan 0.000 0.473 317 E N -0.603 119.604 120.200 0.012 0.000 2.299 317 E HA 0.393 4.743 4.350 0.000 0.000 0.265 317 E C -0.634 175.953 176.600 -0.020 0.000 0.911 317 E CA -0.723 55.677 56.400 -0.001 0.000 0.789 317 E CB 1.801 31.505 29.700 0.006 0.000 1.246 317 E HN 0.356 nan 8.360 nan 0.000 0.427 318 E N 0.503 120.683 120.200 -0.033 0.000 2.437 318 E HA 0.004 4.354 4.350 0.000 0.000 0.263 318 E C -0.524 176.026 176.600 -0.083 0.000 1.030 318 E CA 0.054 56.416 56.400 -0.063 0.000 0.934 318 E CB 0.678 30.345 29.700 -0.055 0.000 0.943 318 E HN 0.105 nan 8.360 nan 0.000 0.444 319 V N 4.579 124.402 119.914 -0.152 0.000 2.162 319 V HA 0.095 4.215 4.120 0.000 0.000 0.255 319 V C 1.050 177.038 176.094 -0.176 0.000 1.304 319 V CA 0.348 62.531 62.300 -0.195 0.000 1.198 319 V CB -0.110 31.459 31.823 -0.423 0.000 1.333 319 V HN 0.625 nan 8.190 nan 0.000 0.493 320 R N 2.446 122.882 120.500 -0.106 0.000 2.167 320 R HA 0.323 4.663 4.340 0.000 0.000 0.195 320 R C 1.527 177.791 176.300 -0.061 0.000 1.027 320 R CA 0.668 56.714 56.100 -0.091 0.000 1.114 320 R CB 0.103 30.370 30.300 -0.054 0.000 1.075 320 R HN 0.704 nan 8.270 nan 0.000 0.538 321 G N 0.688 109.477 108.800 -0.019 0.000 2.794 321 G HA2 -0.152 3.808 3.960 0.000 0.000 0.249 321 G HA3 -0.152 3.808 3.960 0.000 0.000 0.249 321 G C 0.182 175.112 174.900 0.050 0.000 1.236 321 G CA -0.141 44.974 45.100 0.026 0.000 0.880 321 G HN 0.271 nan 8.290 nan 0.000 0.586 322 K N -0.275 120.203 120.400 0.130 0.000 2.186 322 K HA -0.057 4.263 4.320 0.000 0.000 0.202 322 K C 2.299 179.001 176.600 0.169 0.000 1.052 322 K CA 1.550 57.974 56.287 0.228 0.000 0.965 322 K CB -0.090 32.601 32.500 0.319 0.000 0.746 322 K HN 0.752 nan 8.250 nan 0.000 0.457 323 E N 0.791 121.054 120.200 0.106 0.000 2.152 323 E HA -0.161 4.189 4.350 0.000 0.000 0.192 323 E C 1.596 178.247 176.600 0.085 0.000 0.983 323 E CA 1.013 57.464 56.400 0.084 0.000 0.818 323 E CB 0.028 29.761 29.700 0.056 0.000 0.758 323 E HN 0.194 nan 8.360 nan 0.000 0.467 324 K N 0.536 120.978 120.400 0.069 0.000 2.116 324 K HA 0.034 4.354 4.320 0.000 0.000 0.203 324 K C 2.240 178.893 176.600 0.089 0.000 1.052 324 K CA 0.897 57.223 56.287 0.065 0.000 0.952 324 K CB -0.070 32.444 32.500 0.024 0.000 0.729 324 K HN 0.162 nan 8.250 nan 0.000 0.446 325 L N 0.937 122.194 121.223 0.056 0.000 2.131 325 L HA -0.196 4.144 4.340 0.000 0.000 0.210 325 L C 2.397 179.365 176.870 0.163 0.000 1.092 325 L CA 1.102 55.976 54.840 0.058 0.000 0.759 325 L CB -0.169 41.851 42.059 -0.064 0.000 0.903 325 L HN 0.196 nan 8.230 nan 0.000 0.435 326 E N 0.590 120.892 120.200 0.171 0.000 2.015 326 E HA -0.270 4.080 4.350 0.000 0.000 0.191 326 E C 2.020 178.710 176.600 0.149 0.000 0.991 326 E CA 1.488 57.993 56.400 0.175 0.000 0.802 326 E CB -0.001 29.796 29.700 0.162 0.000 0.759 326 E HN 0.202 nan 8.360 nan 0.000 0.447 327 K N -0.048 120.433 120.400 0.135 0.000 2.089 327 K HA -0.215 4.105 4.320 0.000 0.000 0.210 327 K C 1.953 178.641 176.600 0.145 0.000 1.048 327 K CA 1.883 58.243 56.287 0.121 0.000 0.926 327 K CB -0.836 31.730 32.500 0.111 0.000 0.714 327 K HN 0.262 nan 8.250 nan 0.000 0.448 328 F N 1.224 121.196 119.950 0.036 0.000 2.259 328 F HA -0.078 4.449 4.527 0.000 0.000 0.298 328 F C 2.138 177.962 175.800 0.039 0.000 1.088 328 F CA 1.587 59.602 58.000 0.026 0.000 1.358 328 F CB -0.384 38.615 39.000 -0.002 0.000 1.040 328 F HN 0.268 nan 8.300 nan 0.000 0.505 329 S N -0.511 115.300 115.700 0.186 0.000 2.423 329 S HA -0.147 4.323 4.470 0.000 0.000 0.231 329 S C 1.773 176.395 174.600 0.037 0.000 1.014 329 S CA 0.960 59.225 58.200 0.109 0.000 0.965 329 S CB -0.558 62.730 63.200 0.147 0.000 0.785 329 S HN 0.436 nan 8.310 nan 0.000 0.495 330 E N 1.554 121.784 120.200 0.050 0.000 2.153 330 E HA -0.022 4.328 4.350 0.000 0.000 0.194 330 E C 1.804 178.445 176.600 0.068 0.000 0.988 330 E CA 1.028 57.475 56.400 0.078 0.000 0.811 330 E CB -0.430 29.305 29.700 0.060 0.000 0.746 330 E HN 0.660 nan 8.360 nan 0.000 0.466 331 M N 0.238 119.812 119.600 -0.044 0.000 2.686 331 M HA -0.009 4.471 4.480 0.000 0.000 0.246 331 M C 1.791 178.038 176.300 -0.089 0.000 1.096 331 M CA 0.431 55.693 55.300 -0.065 0.000 1.076 331 M CB 0.040 32.533 32.600 -0.178 0.000 1.504 331 M HN 0.010 nan 8.290 nan 0.000 0.524 332 L N -1.219 119.955 121.223 -0.082 0.000 2.509 332 L HA -0.007 4.333 4.340 0.000 0.000 0.222 332 L C 1.939 178.796 176.870 -0.022 0.000 1.123 332 L CA 0.319 55.128 54.840 -0.050 0.000 0.856 332 L CB 0.152 42.195 42.059 -0.026 0.000 0.985 332 L HN 0.202 nan 8.230 nan 0.000 0.456 333 V N -2.548 117.361 119.914 -0.008 0.000 3.497 333 V HA 0.179 4.299 4.120 0.000 0.000 0.272 333 V C 0.077 176.009 176.094 -0.270 0.000 1.474 333 V CA -0.118 62.125 62.300 -0.096 0.000 1.025 333 V CB 0.337 32.124 31.823 -0.060 0.000 0.820 333 V HN 0.298 nan 8.190 nan 0.000 0.437 334 H N 1.849 120.917 119.070 -0.003 0.000 2.866 334 H HA 0.394 4.950 4.556 -0.000 0.000 0.287 334 H C -2.655 172.673 175.328 -0.000 0.000 1.106 334 H CA -1.779 54.268 56.048 -0.002 0.000 1.396 334 H CB 1.405 31.165 29.762 -0.004 0.000 1.469 334 H HN 0.287 nan 8.280 nan 0.000 0.500 335 P HA -0.171 nan 4.420 nan 0.000 0.261 335 P C -0.117 177.215 177.300 0.054 0.000 1.165 335 P CA 0.527 63.663 63.100 0.060 0.000 0.759 335 P CB 0.211 31.930 31.700 0.033 0.000 0.772 336 Y N 5.052 125.309 120.300 -0.072 0.000 2.411 336 Y HA 0.345 4.895 4.550 0.000 0.000 0.333 336 Y C 0.017 175.751 175.900 -0.276 0.000 1.186 336 Y CA 0.022 58.031 58.100 -0.152 0.000 1.381 336 Y CB 0.572 38.942 38.460 -0.150 0.000 1.273 336 Y HN 0.246 nan 8.280 nan 0.000 0.546 337 V N 4.485 123.747 119.914 -1.087 0.000 2.808 337 V HA 0.569 4.689 4.120 0.000 0.000 0.308 337 V C -2.401 173.026 176.094 -1.111 0.000 1.099 337 V CA -2.229 59.514 62.300 -0.929 0.000 0.920 337 V CB 0.836 32.397 31.823 -0.437 0.000 1.014 337 V HN 0.773 nan 8.190 nan 0.000 0.425 338 P HA 0.000 nan 4.420 nan 0.000 0.216 338 P CA 0.000 62.869 63.100 -0.384 0.000 0.800 338 P CB 0.000 31.598 31.700 -0.171 0.000 0.726