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 1e2n_1_A DATA FIRST_RESID 46 DATA SEQUENCE MPTLLRVYID GPHGMGKTTT TQLLVALGSR DDIVYVPEPM TYWRVLGASE DATA SEQUENCE TIANIYTTQH RLDQGEISAG DAAVVMTSAQ ITMGMPYAVT DAVLAPHIGG DATA SEQUENCE EAGSXXXXPP ALTLIFDRHP IAALLCYPAA RYLMGSMTPQ AVLAFVALIP DATA SEQUENCE PTLPGTNIVL GALPEDRHID RLAKRQRPGE RLDLAMLAAI RRVYGLLANT DATA SEQUENCE VRYLQCGGSW REDWGQLSGX XXXXXXXXXX XXXXPRPHIG DTLFTLFRAP DATA SEQUENCE ELLAPNGDLY NVFAWALDVL AKRLRSMHVF ILDYDQSPAG CRDALLQLTS DATA SEQUENCE GMVQTHVTTP GSIPTICDLA RTFAREMGE 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 46 M HA 0.000 nan 4.480 nan 0.000 0.227 46 M C 0.000 176.391 176.300 0.152 0.000 1.140 46 M CA 0.000 55.334 55.300 0.058 0.000 0.988 46 M CB 0.000 32.622 32.600 0.036 0.000 1.302 47 P HA 0.382 nan 4.420 nan 0.000 0.271 47 P C -0.212 177.163 177.300 0.125 0.000 1.244 47 P CA -0.004 63.161 63.100 0.108 0.000 0.793 47 P CB 0.310 32.045 31.700 0.059 0.000 0.984 48 T N -1.316 113.262 114.554 0.041 0.000 2.895 48 T HA 0.647 4.997 4.350 0.001 0.000 0.283 48 T C -0.596 174.089 174.700 -0.026 0.000 1.014 48 T CA -0.770 61.302 62.100 -0.047 0.000 1.037 48 T CB 0.930 69.718 68.868 -0.132 0.000 1.006 48 T HN 0.274 nan 8.240 nan 0.000 0.468 49 L N 2.079 123.286 121.223 -0.027 0.000 2.354 49 L HA 0.829 5.170 4.340 0.001 0.000 0.269 49 L C -1.605 175.258 176.870 -0.012 0.000 1.005 49 L CA -1.226 53.609 54.840 -0.007 0.000 0.819 49 L CB 1.989 44.065 42.059 0.028 0.000 1.311 49 L HN 0.784 nan 8.230 nan 0.000 0.423 50 L N 4.373 125.588 121.223 -0.014 0.000 2.345 50 L HA 0.586 4.927 4.340 0.001 0.000 0.274 50 L C -0.951 175.924 176.870 0.007 0.000 0.999 50 L CA -0.177 54.656 54.840 -0.012 0.000 0.849 50 L CB 0.937 42.971 42.059 -0.042 0.000 1.220 50 L HN 0.601 nan 8.230 nan 0.000 0.422 51 R N 4.296 124.834 120.500 0.063 0.000 2.346 51 R HA 0.744 5.084 4.340 0.001 0.000 0.311 51 R C -1.255 175.079 176.300 0.057 0.000 0.983 51 R CA -0.843 55.310 56.100 0.089 0.000 0.880 51 R CB 1.925 32.342 30.300 0.195 0.000 1.100 51 R HN 0.422 nan 8.270 nan 0.000 0.453 52 V N 4.275 124.186 119.914 -0.006 0.000 2.443 52 V HA 0.266 4.387 4.120 0.001 0.000 0.293 52 V C -1.193 174.925 176.094 0.041 0.000 1.021 52 V CA -0.953 61.372 62.300 0.041 0.000 0.848 52 V CB 1.118 32.947 31.823 0.010 0.000 0.998 52 V HN 0.627 nan 8.190 nan 0.000 0.424 53 Y N 4.672 125.108 120.300 0.226 0.000 2.385 53 Y HA 0.519 5.069 4.550 0.001 0.000 0.341 53 Y C 0.346 176.348 175.900 0.170 0.000 0.965 53 Y CA -1.051 57.175 58.100 0.210 0.000 1.180 53 Y CB 0.999 39.533 38.460 0.123 0.000 1.139 53 Y HN 0.398 nan 8.280 nan 0.000 0.502 54 I N 4.129 124.866 120.570 0.278 0.000 2.396 54 I HA 0.156 4.326 4.170 0.001 0.000 0.289 54 I C 0.248 176.490 176.117 0.208 0.000 1.056 54 I CA 0.153 61.584 61.300 0.219 0.000 1.365 54 I CB 0.406 38.517 38.000 0.184 0.000 1.407 54 I HN 0.708 nan 8.210 nan 0.000 0.509 55 D N 3.104 123.604 120.400 0.166 0.000 2.895 55 D HA 0.707 5.348 4.640 0.001 0.000 0.320 55 D C -0.274 175.979 176.300 -0.079 0.000 1.249 55 D CA 0.305 54.365 54.000 0.099 0.000 0.997 55 D CB 2.715 43.616 40.800 0.168 0.000 1.430 55 D HN 0.685 nan 8.370 nan 0.000 0.558 56 G N 0.169 108.700 108.800 -0.448 0.000 2.434 56 G HA2 0.004 3.965 3.960 0.001 0.000 0.671 56 G HA3 0.004 3.965 3.960 0.001 0.000 0.671 56 G C -2.965 171.340 174.900 -0.990 0.000 1.280 56 G CA -0.866 43.612 45.100 -1.038 0.000 0.975 56 G HN 0.373 nan 8.290 nan 0.000 0.510 57 P HA 0.219 nan 4.420 nan 0.000 0.267 57 P C 0.303 177.613 177.300 0.017 0.000 1.205 57 P CA -0.032 62.986 63.100 -0.136 0.000 0.765 57 P CB 0.157 31.891 31.700 0.057 0.000 0.828 58 H N 1.366 120.517 119.070 0.135 0.000 2.757 58 H HA 0.228 4.785 4.556 0.001 0.000 0.370 58 H C 1.054 176.468 175.328 0.143 0.000 1.172 58 H CA 0.175 56.291 56.048 0.113 0.000 1.426 58 H CB -0.347 29.521 29.762 0.176 0.000 1.438 58 H HN 0.787 nan 8.280 nan 0.000 0.612 59 G N 1.784 110.608 108.800 0.041 0.000 2.149 59 G HA2 -0.267 3.694 3.960 0.001 0.000 0.235 59 G HA3 -0.267 3.694 3.960 0.001 0.000 0.235 59 G C 0.755 175.512 174.900 -0.237 0.000 1.018 59 G CA 0.477 45.559 45.100 -0.031 0.000 0.728 59 G HN 0.620 nan 8.290 nan 0.000 0.508 60 M N -0.228 119.080 119.600 -0.487 0.000 2.429 60 M HA 0.201 4.682 4.480 0.001 0.000 0.265 60 M C 1.950 177.974 176.300 -0.459 0.000 1.120 60 M CA 1.400 56.262 55.300 -0.730 0.000 1.173 60 M CB 0.106 32.068 32.600 -1.064 0.000 1.343 60 M HN 0.365 nan 8.290 nan 0.000 0.464 61 G N -0.323 108.252 108.800 -0.376 0.000 2.562 61 G HA2 0.143 4.104 3.960 0.001 0.000 0.275 61 G HA3 0.143 4.104 3.960 0.001 0.000 0.275 61 G C 0.312 175.227 174.900 0.025 0.000 1.196 61 G CA -0.372 44.770 45.100 0.070 0.000 0.908 61 G HN 0.209 nan 8.290 nan 0.000 0.524 62 K N -1.094 119.342 120.400 0.060 0.000 2.103 62 K HA 0.005 4.326 4.320 0.001 0.000 0.204 62 K C 1.593 178.209 176.600 0.028 0.000 1.052 62 K CA 1.336 57.640 56.287 0.030 0.000 0.945 62 K CB -0.042 32.474 32.500 0.027 0.000 0.722 62 K HN 0.662 nan 8.250 nan 0.000 0.443 63 T N -1.200 113.377 114.554 0.040 0.000 2.912 63 T HA 0.238 4.589 4.350 0.001 0.000 0.280 63 T C 0.517 175.240 174.700 0.040 0.000 0.989 63 T CA -0.939 61.180 62.100 0.032 0.000 0.995 63 T CB 1.530 70.412 68.868 0.024 0.000 1.077 63 T HN 0.160 nan 8.240 nan 0.000 0.531 64 T N -1.274 113.303 114.554 0.037 0.000 2.732 64 T HA 0.229 4.580 4.350 0.001 0.000 0.287 64 T C 1.460 176.194 174.700 0.058 0.000 0.993 64 T CA -0.179 61.951 62.100 0.051 0.000 0.966 64 T CB -0.170 68.737 68.868 0.066 0.000 1.047 64 T HN 0.586 nan 8.240 nan 0.000 0.527 65 T N 0.705 115.306 114.554 0.078 0.000 2.777 65 T HA -0.065 4.285 4.350 0.001 0.000 0.266 65 T C 2.155 176.883 174.700 0.045 0.000 1.040 65 T CA 1.820 63.974 62.100 0.089 0.000 1.141 65 T CB -0.803 68.139 68.868 0.124 0.000 0.868 65 T HN 0.769 nan 8.240 nan 0.000 0.444 66 T N 2.184 116.766 114.554 0.046 0.000 2.821 66 T HA -0.082 4.269 4.350 0.001 0.000 0.267 66 T C 2.149 176.789 174.700 -0.099 0.000 1.046 66 T CA 1.041 63.134 62.100 -0.013 0.000 1.139 66 T CB -0.223 68.675 68.868 0.049 0.000 0.871 66 T HN 0.477 nan 8.240 nan 0.000 0.454 67 Q N 0.186 119.958 119.800 -0.047 0.000 2.119 67 Q HA -0.000 4.340 4.340 0.001 0.000 0.201 67 Q C 2.269 178.217 176.000 -0.087 0.000 0.972 67 Q CA 0.913 56.678 55.803 -0.064 0.000 0.847 67 Q CB -0.277 28.450 28.738 -0.018 0.000 0.903 67 Q HN 0.326 nan 8.270 nan 0.000 0.433 68 L N 0.156 121.345 121.223 -0.057 0.000 2.093 68 L HA -0.139 4.202 4.340 0.001 0.000 0.208 68 L C 1.896 178.700 176.870 -0.110 0.000 1.085 68 L CA 1.241 56.051 54.840 -0.050 0.000 0.755 68 L CB -0.301 41.763 42.059 0.008 0.000 0.904 68 L HN 0.157 nan 8.230 nan 0.000 0.435 69 L N -1.275 119.845 121.223 -0.171 0.000 2.017 69 L HA -0.168 4.172 4.340 0.001 0.000 0.208 69 L C 2.467 179.011 176.870 -0.543 0.000 1.073 69 L CA 1.564 56.227 54.840 -0.294 0.000 0.745 69 L CB -0.708 41.165 42.059 -0.310 0.000 0.894 69 L HN 0.086 nan 8.230 nan 0.000 0.432 70 V N -0.499 119.035 119.914 -0.633 0.000 2.332 70 V HA -0.319 3.802 4.120 0.001 0.000 0.248 70 V C 2.680 178.648 176.094 -0.211 0.000 1.055 70 V CA 1.592 63.566 62.300 -0.543 0.000 1.038 70 V CB -1.153 30.483 31.823 -0.313 0.000 0.651 70 V HN 0.545 nan 8.190 nan 0.000 0.450 71 A N -0.405 122.325 122.820 -0.151 0.000 1.902 71 A HA -0.147 4.174 4.320 0.001 0.000 0.217 71 A C 2.177 179.727 177.584 -0.057 0.000 1.181 71 A CA 1.781 53.772 52.037 -0.077 0.000 0.623 71 A CB -0.454 18.509 19.000 -0.061 0.000 0.818 71 A HN 0.523 nan 8.150 nan 0.000 0.443 72 L N -0.892 120.289 121.223 -0.070 0.000 2.240 72 L HA 0.032 4.373 4.340 0.001 0.000 0.211 72 L C 2.046 178.918 176.870 0.004 0.000 1.106 72 L CA 0.514 55.333 54.840 -0.036 0.000 0.793 72 L CB -0.333 41.702 42.059 -0.041 0.000 0.927 72 L HN 0.464 nan 8.230 nan 0.000 0.446 73 G N -0.409 108.416 108.800 0.042 0.000 3.471 73 G HA2 0.101 4.061 3.960 0.001 0.000 0.254 73 G HA3 0.101 4.061 3.960 0.001 0.000 0.254 73 G C 0.687 175.660 174.900 0.122 0.000 1.199 73 G CA 0.415 45.622 45.100 0.178 0.000 1.683 73 G HN 0.390 nan 8.290 nan 0.000 0.625 74 S N -1.482 114.248 115.700 0.051 0.000 2.952 74 S HA 0.246 4.716 4.470 0.001 0.000 0.251 74 S C 1.203 175.811 174.600 0.012 0.000 1.021 74 S CA -0.733 57.486 58.200 0.031 0.000 1.067 74 S CB 0.331 63.542 63.200 0.018 0.000 1.002 74 S HN 0.370 nan 8.310 nan 0.000 0.574 75 R N 0.941 121.446 120.500 0.008 0.000 2.373 75 R HA 0.274 4.614 4.340 0.001 0.000 0.221 75 R C -0.257 176.038 176.300 -0.009 0.000 0.893 75 R CA 0.356 56.453 56.100 -0.004 0.000 1.049 75 R CB 0.108 30.402 30.300 -0.010 0.000 1.119 75 R HN 0.201 nan 8.270 nan 0.000 0.535 76 D N 0.530 120.924 120.400 -0.011 0.000 2.748 76 D HA -0.157 4.484 4.640 0.001 0.000 0.189 76 D C -0.142 176.142 176.300 -0.027 0.000 0.982 76 D CA 2.078 56.066 54.000 -0.020 0.000 1.017 76 D CB -0.943 39.848 40.800 -0.016 0.000 1.076 76 D HN 0.595 nan 8.370 nan 0.000 0.446 77 D N 0.012 120.396 120.400 -0.026 0.000 2.513 77 D HA 0.313 4.954 4.640 0.001 0.000 0.222 77 D C 0.627 176.903 176.300 -0.040 0.000 1.210 77 D CA -0.307 53.673 54.000 -0.032 0.000 0.825 77 D CB 0.922 41.705 40.800 -0.027 0.000 1.037 77 D HN 0.358 nan 8.370 nan 0.000 0.506 78 I N 1.092 121.640 120.570 -0.037 0.000 2.560 78 I HA 0.371 4.542 4.170 0.001 0.000 0.283 78 I C -1.749 174.350 176.117 -0.030 0.000 1.115 78 I CA -0.874 60.403 61.300 -0.039 0.000 1.066 78 I CB 1.395 39.381 38.000 -0.024 0.000 1.221 78 I HN -0.227 nan 8.210 nan 0.000 0.450 79 V N 7.355 127.219 119.914 -0.083 0.000 2.769 79 V HA 0.539 4.660 4.120 0.001 0.000 0.312 79 V C -0.758 175.254 176.094 -0.137 0.000 1.058 79 V CA -0.551 61.669 62.300 -0.133 0.000 0.952 79 V CB 1.827 33.523 31.823 -0.212 0.000 1.019 79 V HN 0.667 nan 8.190 nan 0.000 0.445 80 Y N 0.565 120.749 120.300 -0.192 0.000 2.587 80 Y HA 0.883 5.434 4.550 0.001 0.000 0.337 80 Y C -0.727 175.004 175.900 -0.281 0.000 1.065 80 Y CA -1.615 56.345 58.100 -0.234 0.000 1.126 80 Y CB 1.752 40.133 38.460 -0.131 0.000 1.279 80 Y HN 0.191 nan 8.280 nan 0.000 0.489 81 V N 4.123 123.922 119.914 -0.190 0.000 2.327 81 V HA 0.361 4.481 4.120 0.001 0.000 0.272 81 V C -2.283 173.791 176.094 -0.032 0.000 1.019 81 V CA -1.740 60.349 62.300 -0.352 0.000 0.814 81 V CB 0.686 32.103 31.823 -0.677 0.000 1.040 81 V HN 0.701 nan 8.190 nan 0.000 0.440 82 P HA 0.154 nan 4.420 nan 0.000 0.275 82 P C -0.146 177.330 177.300 0.294 0.000 1.266 82 P CA -0.425 62.841 63.100 0.278 0.000 0.793 82 P CB 1.066 32.974 31.700 0.347 0.000 1.074 83 E N 1.473 121.812 120.200 0.232 0.000 2.417 83 E HA 0.021 4.372 4.350 0.001 0.000 0.261 83 E C -1.612 174.959 176.600 -0.049 0.000 1.000 83 E CA -1.575 54.928 56.400 0.173 0.000 0.919 83 E CB 0.025 29.851 29.700 0.210 0.000 0.955 83 E HN 0.227 nan 8.360 nan 0.000 0.455 84 P HA 0.007 nan 4.420 nan 0.000 0.220 84 P C 0.218 176.922 177.300 -0.994 0.000 1.806 84 P CA -0.111 62.612 63.100 -0.628 0.000 0.976 84 P CB 0.226 31.505 31.700 -0.702 0.000 1.952 85 M N 1.823 121.106 119.600 -0.528 0.000 2.117 85 M HA -0.107 4.374 4.480 0.001 0.000 0.262 85 M C 1.554 177.782 176.300 -0.120 0.000 1.065 85 M CA 2.142 57.317 55.300 -0.207 0.000 1.114 85 M CB -1.570 31.042 32.600 0.020 0.000 1.361 85 M HN -0.047 nan 8.290 nan 0.000 0.408 86 T N -0.647 113.820 114.554 -0.145 0.000 2.759 86 T HA -0.202 4.148 4.350 0.001 0.000 0.269 86 T C 1.550 176.194 174.700 -0.092 0.000 1.042 86 T CA 1.798 63.843 62.100 -0.092 0.000 1.140 86 T CB -0.634 68.176 68.868 -0.097 0.000 0.864 86 T HN 0.545 nan 8.240 nan 0.000 0.455 87 Y N 0.358 120.481 120.300 -0.295 0.000 2.200 87 Y HA -0.129 4.422 4.550 0.001 0.000 0.290 87 Y C 2.039 177.897 175.900 -0.068 0.000 1.137 87 Y CA 1.163 59.115 58.100 -0.248 0.000 1.163 87 Y CB -0.221 37.995 38.460 -0.405 0.000 0.988 87 Y HN 0.225 nan 8.280 nan 0.000 0.518 88 W N 0.375 121.695 121.300 0.033 0.000 2.388 88 W HA -0.039 4.622 4.660 0.001 0.000 0.294 88 W C 2.235 178.706 176.519 -0.080 0.000 1.212 88 W CA 1.145 58.475 57.345 -0.026 0.000 1.271 88 W CB -0.842 28.633 29.460 0.025 0.000 1.126 88 W HN 0.146 nan 8.180 nan 0.000 0.535 89 R N -1.028 119.561 120.500 0.148 0.000 2.189 89 R HA 0.070 4.410 4.340 0.001 0.000 0.203 89 R C 1.657 177.952 176.300 -0.009 0.000 1.012 89 R CA 0.810 56.951 56.100 0.068 0.000 1.015 89 R CB 0.075 30.419 30.300 0.073 0.000 0.938 89 R HN 0.017 nan 8.270 nan 0.000 0.472 90 V N -0.262 119.616 119.914 -0.060 0.000 3.668 90 V HA 0.008 4.129 4.120 0.001 0.000 0.199 90 V C 1.959 177.956 176.094 -0.161 0.000 1.241 90 V CA -0.020 62.228 62.300 -0.087 0.000 1.308 90 V CB -0.624 31.161 31.823 -0.063 0.000 1.411 90 V HN 0.023 nan 8.190 nan 0.000 0.535 91 L N 1.409 122.508 121.223 -0.206 0.000 1.965 91 L HA -0.181 4.159 4.340 0.001 0.000 0.226 91 L C 2.603 179.188 176.870 -0.474 0.000 1.083 91 L CA 2.522 57.201 54.840 -0.267 0.000 0.790 91 L CB -1.367 40.599 42.059 -0.156 0.000 0.898 91 L HN 0.573 nan 8.230 nan 0.000 0.439 92 G N -1.267 106.877 108.800 -1.093 0.000 2.422 92 G HA2 0.252 4.213 3.960 0.001 0.000 0.218 92 G HA3 0.252 4.213 3.960 0.001 0.000 0.218 92 G C 0.442 175.105 174.900 -0.394 0.000 1.140 92 G CA 0.806 45.263 45.100 -1.071 0.000 0.775 92 G HN 0.618 nan 8.290 nan 0.000 0.545 93 A N -1.625 121.024 122.820 -0.285 0.000 2.483 93 A HA 0.632 4.953 4.320 0.001 0.000 0.294 93 A C -0.780 176.754 177.584 -0.084 0.000 1.077 93 A CA 0.104 52.066 52.037 -0.126 0.000 0.633 93 A CB 0.150 19.108 19.000 -0.070 0.000 1.318 93 A HN 0.550 nan 8.150 nan 0.000 0.455 94 S N 1.099 116.773 115.700 -0.042 0.000 2.438 94 S HA 0.487 4.958 4.470 0.001 0.000 0.293 94 S C -0.431 174.169 174.600 -0.000 0.000 1.141 94 S CA -0.013 58.173 58.200 -0.022 0.000 1.080 94 S CB -0.160 63.030 63.200 -0.017 0.000 0.978 94 S HN 0.709 nan 8.310 nan 0.000 0.479 95 E N 3.259 123.468 120.200 0.015 0.000 2.452 95 E HA -0.148 4.203 4.350 0.001 0.000 0.155 95 E C 0.518 177.136 176.600 0.030 0.000 1.746 95 E CA 0.791 57.211 56.400 0.034 0.000 0.636 95 E CB -1.819 27.898 29.700 0.027 0.000 1.069 95 E HN 0.745 nan 8.360 nan 0.000 0.335 96 T N 0.506 115.082 114.554 0.037 0.000 2.937 96 T HA 0.048 4.399 4.350 0.001 0.000 0.260 96 T C 2.043 176.726 174.700 -0.028 0.000 1.051 96 T CA 0.898 62.997 62.100 -0.000 0.000 1.141 96 T CB 0.110 68.975 68.868 -0.005 0.000 0.879 96 T HN 0.359 nan 8.240 nan 0.000 0.459 97 I N 1.576 122.138 120.570 -0.014 0.000 2.315 97 I HA -0.116 4.054 4.170 0.001 0.000 0.248 97 I C 2.917 179.120 176.117 0.143 0.000 1.117 97 I CA 0.936 62.246 61.300 0.017 0.000 1.404 97 I CB -0.458 37.556 38.000 0.024 0.000 1.071 97 I HN 0.171 nan 8.210 nan 0.000 0.419 98 A N 1.041 123.921 122.820 0.100 0.000 1.877 98 A HA -0.275 4.045 4.320 0.001 0.000 0.216 98 A C 2.098 179.739 177.584 0.095 0.000 1.186 98 A CA 2.364 54.463 52.037 0.102 0.000 0.620 98 A CB -0.868 18.164 19.000 0.054 0.000 0.822 98 A HN 0.450 nan 8.150 nan 0.000 0.443 99 N N 0.095 118.825 118.700 0.051 0.000 2.104 99 N HA -0.125 4.616 4.740 0.001 0.000 0.190 99 N C 1.490 177.011 175.510 0.019 0.000 1.024 99 N CA 1.849 54.918 53.050 0.031 0.000 0.853 99 N CB -0.386 38.108 38.487 0.012 0.000 1.008 99 N HN 0.544 nan 8.380 nan 0.000 0.424 100 I N -0.656 119.902 120.570 -0.020 0.000 2.099 100 I HA -0.334 3.837 4.170 0.001 0.000 0.239 100 I C 1.573 177.616 176.117 -0.122 0.000 1.066 100 I CA 1.321 62.551 61.300 -0.117 0.000 1.324 100 I CB -0.445 37.406 38.000 -0.248 0.000 1.037 100 I HN 0.194 nan 8.210 nan 0.000 0.401 101 Y N 0.733 121.038 120.300 0.007 0.000 2.181 101 Y HA -0.241 4.310 4.550 0.001 0.000 0.288 101 Y C 2.871 178.800 175.900 0.049 0.000 1.146 101 Y CA 1.744 59.862 58.100 0.029 0.000 1.164 101 Y CB -1.106 37.364 38.460 0.016 0.000 0.982 101 Y HN 0.131 nan 8.280 nan 0.000 0.515 102 T N -0.767 113.889 114.554 0.169 0.000 2.622 102 T HA -0.211 4.140 4.350 0.001 0.000 0.266 102 T C 1.934 176.713 174.700 0.132 0.000 1.047 102 T CA 2.221 64.398 62.100 0.129 0.000 1.159 102 T CB -0.691 68.226 68.868 0.082 0.000 0.863 102 T HN 0.380 nan 8.240 nan 0.000 0.422 103 T N 1.773 116.373 114.554 0.076 0.000 2.653 103 T HA -0.224 4.127 4.350 0.001 0.000 0.268 103 T C 2.077 176.805 174.700 0.047 0.000 1.035 103 T CA 1.794 63.922 62.100 0.048 0.000 1.154 103 T CB -0.424 68.454 68.868 0.016 0.000 0.862 103 T HN 0.315 nan 8.240 nan 0.000 0.441 104 Q N 0.530 120.356 119.800 0.043 0.000 2.050 104 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 104 Q C 1.995 178.039 176.000 0.073 0.000 0.980 104 Q CA 2.132 57.957 55.803 0.037 0.000 0.840 104 Q CB -0.600 28.150 28.738 0.020 0.000 0.898 104 Q HN 0.777 nan 8.270 nan 0.000 0.424 105 H N -0.214 118.881 119.070 0.042 0.000 2.352 105 H HA -0.015 4.542 4.556 0.001 0.000 0.299 105 H C 1.756 177.099 175.328 0.024 0.000 1.097 105 H CA 2.075 58.148 56.048 0.041 0.000 1.311 105 H CB 0.153 29.949 29.762 0.057 0.000 1.377 105 H HN 0.194 nan 8.280 nan 0.000 0.504 106 R N -0.445 120.084 120.500 0.049 0.000 2.115 106 R HA -0.085 4.256 4.340 0.001 0.000 0.230 106 R C 2.271 178.540 176.300 -0.052 0.000 1.111 106 R CA 1.118 57.211 56.100 -0.012 0.000 0.976 106 R CB -0.392 29.936 30.300 0.046 0.000 0.870 106 R HN 0.322 nan 8.270 nan 0.000 0.445 107 L N 1.701 122.904 121.223 -0.034 0.000 2.027 107 L HA -0.144 4.196 4.340 0.001 0.000 0.206 107 L C 1.321 178.151 176.870 -0.066 0.000 1.074 107 L CA 1.962 56.779 54.840 -0.037 0.000 0.745 107 L CB -0.472 41.573 42.059 -0.024 0.000 0.898 107 L HN -0.007 nan 8.230 nan 0.000 0.433 108 D N -0.662 119.684 120.400 -0.090 0.000 2.149 108 D HA -0.181 4.460 4.640 0.001 0.000 0.198 108 D C 2.060 178.278 176.300 -0.137 0.000 0.990 108 D CA 1.051 54.986 54.000 -0.108 0.000 0.839 108 D CB -0.135 40.597 40.800 -0.114 0.000 0.948 108 D HN 0.456 nan 8.370 nan 0.000 0.460 109 Q N -0.597 119.085 119.800 -0.196 0.000 2.451 109 Q HA 0.126 4.466 4.340 0.001 0.000 0.206 109 Q C 1.279 177.225 176.000 -0.090 0.000 0.947 109 Q CA 0.731 56.434 55.803 -0.167 0.000 0.937 109 Q CB 0.506 29.110 28.738 -0.224 0.000 1.025 109 Q HN 0.375 nan 8.270 nan 0.000 0.511 110 G N 1.346 110.103 108.800 -0.072 0.000 2.143 110 G HA2 -0.315 3.645 3.960 0.001 0.000 0.248 110 G HA3 -0.315 3.645 3.960 0.001 0.000 0.248 110 G C 0.650 175.531 174.900 -0.031 0.000 0.991 110 G CA 0.662 45.736 45.100 -0.044 0.000 0.689 110 G HN 0.453 nan 8.290 nan 0.000 0.522 111 E N -0.595 119.586 120.200 -0.031 0.000 2.230 111 E HA 0.206 4.556 4.350 0.001 0.000 0.192 111 E C 1.579 178.176 176.600 -0.006 0.000 0.987 111 E CA 1.068 57.460 56.400 -0.013 0.000 0.841 111 E CB 0.194 29.891 29.700 -0.005 0.000 0.783 111 E HN 0.898 nan 8.360 nan 0.000 0.481 112 I N -2.240 118.326 120.570 -0.008 0.000 3.002 112 I HA 0.419 4.590 4.170 0.001 0.000 0.310 112 I C 0.050 176.165 176.117 -0.005 0.000 1.087 112 I CA -1.308 59.992 61.300 -0.001 0.000 1.017 112 I CB 1.987 39.990 38.000 0.006 0.000 1.226 112 I HN -0.218 nan 8.210 nan 0.000 0.443 113 S N 2.546 118.246 115.700 -0.000 0.000 2.632 113 S HA 0.552 5.023 4.470 0.001 0.000 0.267 113 S C 1.138 175.738 174.600 0.001 0.000 1.276 113 S CA -0.080 58.120 58.200 -0.001 0.000 0.998 113 S CB 1.584 64.785 63.200 0.003 0.000 0.953 113 S HN 0.994 nan 8.310 nan 0.000 0.547 114 A N 1.600 124.420 122.820 -0.000 0.000 1.933 114 A HA 0.137 4.458 4.320 0.001 0.000 0.218 114 A C 2.159 179.750 177.584 0.013 0.000 1.175 114 A CA 1.653 53.691 52.037 0.002 0.000 0.628 114 A CB -1.771 17.229 19.000 -0.001 0.000 0.814 114 A HN 1.151 nan 8.150 nan 0.000 0.444 115 G N -0.566 108.243 108.800 0.015 0.000 2.422 115 G HA2 -0.184 3.777 3.960 0.001 0.000 0.218 115 G HA3 -0.184 3.777 3.960 0.001 0.000 0.218 115 G C 1.136 176.048 174.900 0.020 0.000 1.140 115 G CA 1.111 46.223 45.100 0.020 0.000 0.775 115 G HN 0.446 nan 8.290 nan 0.000 0.545 116 D N 0.872 121.281 120.400 0.016 0.000 2.144 116 D HA 0.020 4.661 4.640 0.001 0.000 0.200 116 D C 2.779 179.091 176.300 0.019 0.000 0.978 116 D CA 1.062 55.072 54.000 0.017 0.000 0.833 116 D CB -0.194 40.614 40.800 0.013 0.000 0.961 116 D HN 0.303 nan 8.370 nan 0.000 0.470 117 A N 1.042 123.872 122.820 0.017 0.000 1.897 117 A HA 0.043 4.364 4.320 0.001 0.000 0.215 117 A C 2.313 179.913 177.584 0.028 0.000 1.181 117 A CA 1.825 53.872 52.037 0.017 0.000 0.620 117 A CB -0.618 18.388 19.000 0.009 0.000 0.821 117 A HN 0.208 nan 8.150 nan 0.000 0.443 118 A N -0.418 122.423 122.820 0.035 0.000 1.908 118 A HA -0.041 4.279 4.320 0.001 0.000 0.218 118 A C 2.233 179.852 177.584 0.058 0.000 1.181 118 A CA 1.890 53.959 52.037 0.053 0.000 0.627 118 A CB -0.970 18.062 19.000 0.054 0.000 0.818 118 A HN 0.377 nan 8.150 nan 0.000 0.445 119 V N -0.496 119.445 119.914 0.044 0.000 2.295 119 V HA -0.233 3.888 4.120 0.001 0.000 0.246 119 V C 2.587 178.711 176.094 0.050 0.000 1.049 119 V CA 2.029 64.356 62.300 0.044 0.000 1.024 119 V CB -0.731 31.111 31.823 0.032 0.000 0.648 119 V HN 0.380 nan 8.190 nan 0.000 0.447 120 V N -0.955 118.982 119.914 0.039 0.000 2.295 120 V HA -0.314 3.806 4.120 0.001 0.000 0.246 120 V C 2.346 178.463 176.094 0.038 0.000 1.049 120 V CA 2.439 64.759 62.300 0.033 0.000 1.024 120 V CB -0.561 31.275 31.823 0.022 0.000 0.648 120 V HN 0.471 nan 8.190 nan 0.000 0.447 121 M N -0.181 119.443 119.600 0.041 0.000 2.175 121 M HA -0.120 4.361 4.480 0.001 0.000 0.264 121 M C 2.131 178.489 176.300 0.097 0.000 1.063 121 M CA 1.928 57.253 55.300 0.042 0.000 1.119 121 M CB -0.707 31.916 32.600 0.038 0.000 1.377 121 M HN 0.367 nan 8.290 nan 0.000 0.415 122 T N -1.198 113.448 114.554 0.152 0.000 2.737 122 T HA -0.124 4.227 4.350 0.001 0.000 0.265 122 T C 1.976 176.841 174.700 0.276 0.000 1.038 122 T CA 1.770 64.041 62.100 0.285 0.000 1.144 122 T CB -0.499 68.487 68.868 0.197 0.000 0.866 122 T HN 0.453 nan 8.240 nan 0.000 0.434 123 S N 0.924 116.716 115.700 0.155 0.000 2.382 123 S HA -0.040 4.430 4.470 0.001 0.000 0.228 123 S C 2.376 177.033 174.600 0.095 0.000 1.027 123 S CA 1.242 59.516 58.200 0.123 0.000 0.991 123 S CB -0.516 62.730 63.200 0.077 0.000 0.823 123 S HN 0.501 nan 8.310 nan 0.000 0.469 124 A N 1.042 123.896 122.820 0.057 0.000 1.933 124 A HA -0.079 4.242 4.320 0.001 0.000 0.218 124 A C 2.206 179.777 177.584 -0.022 0.000 1.175 124 A CA 1.370 53.410 52.037 0.006 0.000 0.628 124 A CB -0.612 18.368 19.000 -0.033 0.000 0.814 124 A HN 0.560 nan 8.150 nan 0.000 0.444 125 Q N -0.521 119.259 119.800 -0.033 0.000 2.230 125 Q HA -0.048 4.293 4.340 0.001 0.000 0.202 125 Q C 2.039 177.970 176.000 -0.115 0.000 0.963 125 Q CA 0.656 56.363 55.803 -0.161 0.000 0.866 125 Q CB -0.326 28.189 28.738 -0.372 0.000 0.931 125 Q HN 0.628 nan 8.270 nan 0.000 0.452 126 I N 0.565 121.173 120.570 0.063 0.000 2.226 126 I HA -0.210 3.960 4.170 0.001 0.000 0.245 126 I C 1.953 178.152 176.117 0.136 0.000 1.100 126 I CA 1.403 62.794 61.300 0.152 0.000 1.374 126 I CB -1.248 36.877 38.000 0.209 0.000 1.057 126 I HN 0.152 nan 8.210 nan 0.000 0.413 127 T N 0.920 115.562 114.554 0.147 0.000 2.777 127 T HA -0.109 4.241 4.350 0.001 0.000 0.266 127 T C 1.981 176.885 174.700 0.340 0.000 1.040 127 T CA 1.044 63.297 62.100 0.255 0.000 1.141 127 T CB -0.045 68.924 68.868 0.170 0.000 0.868 127 T HN 0.124 nan 8.240 nan 0.000 0.444 128 M N 1.033 120.716 119.600 0.138 0.000 2.132 128 M HA 0.056 4.537 4.480 0.001 0.000 0.263 128 M C 2.678 179.088 176.300 0.184 0.000 1.065 128 M CA 1.369 56.713 55.300 0.073 0.000 1.122 128 M CB -1.474 30.967 32.600 -0.265 0.000 1.365 128 M HN 0.379 nan 8.290 nan 0.000 0.411 129 G N -0.743 108.114 108.800 0.095 0.000 2.777 129 G HA2 -0.076 3.884 3.960 0.001 0.000 0.211 129 G HA3 -0.076 3.884 3.960 0.001 0.000 0.211 129 G C 1.533 176.441 174.900 0.013 0.000 1.149 129 G CA -0.006 45.171 45.100 0.128 0.000 0.785 129 G HN 0.214 nan 8.290 nan 0.000 0.536 130 M N 1.676 121.264 119.600 -0.021 0.000 2.151 130 M HA -0.095 4.386 4.480 0.001 0.000 0.256 130 M C -0.490 175.676 176.300 -0.224 0.000 1.072 130 M CA 1.848 57.083 55.300 -0.108 0.000 1.090 130 M CB -1.376 31.156 32.600 -0.114 0.000 1.294 130 M HN 0.061 nan 8.290 nan 0.000 0.415 131 P HA -0.154 nan 4.420 nan 0.000 0.216 131 P C 1.136 178.436 177.300 -0.000 0.000 1.150 131 P CA 1.562 64.473 63.100 -0.316 0.000 0.837 131 P CB -0.504 30.908 31.700 -0.480 0.000 0.786 132 Y N -0.053 120.312 120.300 0.107 0.000 2.200 132 Y HA 0.002 4.553 4.550 0.001 0.000 0.290 132 Y C 2.668 178.576 175.900 0.014 0.000 1.137 132 Y CA 0.583 58.730 58.100 0.078 0.000 1.163 132 Y CB -1.865 36.626 38.460 0.052 0.000 0.988 132 Y HN -0.091 nan 8.280 nan 0.000 0.518 133 A N -0.426 122.487 122.820 0.155 0.000 1.898 133 A HA -0.124 4.196 4.320 0.001 0.000 0.216 133 A C 2.500 180.125 177.584 0.068 0.000 1.181 133 A CA 1.721 53.808 52.037 0.083 0.000 0.620 133 A CB -1.260 17.784 19.000 0.073 0.000 0.819 133 A HN 0.283 nan 8.150 nan 0.000 0.442 134 V N -0.259 119.689 119.914 0.055 0.000 2.427 134 V HA -0.188 3.932 4.120 0.001 0.000 0.248 134 V C 2.620 178.774 176.094 0.101 0.000 1.051 134 V CA 2.807 65.140 62.300 0.055 0.000 1.048 134 V CB -0.764 31.064 31.823 0.008 0.000 0.666 134 V HN 0.643 nan 8.190 nan 0.000 0.456 135 T N -0.434 114.212 114.554 0.154 0.000 2.708 135 T HA -0.223 4.128 4.350 0.001 0.000 0.266 135 T C 1.588 176.375 174.700 0.145 0.000 1.037 135 T CA 2.003 64.215 62.100 0.187 0.000 1.146 135 T CB -0.384 68.625 68.868 0.236 0.000 0.865 135 T HN 0.737 nan 8.240 nan 0.000 0.435 136 D N 0.960 121.416 120.400 0.094 0.000 2.104 136 D HA -0.066 4.575 4.640 0.001 0.000 0.194 136 D C 2.209 178.554 176.300 0.075 0.000 0.994 136 D CA 1.209 55.240 54.000 0.052 0.000 0.830 136 D CB -0.241 40.541 40.800 -0.030 0.000 0.959 136 D HN 0.344 nan 8.370 nan 0.000 0.452 137 A N -0.031 122.831 122.820 0.070 0.000 1.972 137 A HA -0.084 4.237 4.320 0.001 0.000 0.219 137 A C 2.415 180.053 177.584 0.091 0.000 1.169 137 A CA 1.881 53.960 52.037 0.071 0.000 0.635 137 A CB -0.823 18.212 19.000 0.057 0.000 0.810 137 A HN 0.368 nan 8.150 nan 0.000 0.446 138 V N -3.611 116.366 119.914 0.105 0.000 2.878 138 V HA 0.053 4.174 4.120 0.001 0.000 0.250 138 V C 2.049 178.249 176.094 0.176 0.000 1.075 138 V CA 1.407 63.782 62.300 0.125 0.000 1.096 138 V CB -0.422 31.463 31.823 0.102 0.000 0.724 138 V HN 0.236 nan 8.190 nan 0.000 0.467 139 L N 1.039 122.358 121.223 0.159 0.000 2.270 139 L HA 0.428 4.769 4.340 0.001 0.000 0.210 139 L C 2.671 179.672 176.870 0.219 0.000 1.104 139 L CA 1.646 56.595 54.840 0.181 0.000 0.804 139 L CB -0.806 41.359 42.059 0.178 0.000 0.937 139 L HN 0.308 nan 8.230 nan 0.000 0.450 140 A N 0.806 123.725 122.820 0.164 0.000 1.884 140 A HA -0.181 4.140 4.320 0.001 0.000 0.219 140 A C -0.119 177.536 177.584 0.118 0.000 1.197 140 A CA 2.255 54.369 52.037 0.129 0.000 0.637 140 A CB -2.120 16.933 19.000 0.088 0.000 0.827 140 A HN 0.406 nan 8.150 nan 0.000 0.450 141 P HA -0.103 nan 4.420 nan 0.000 0.225 141 P C 0.838 178.093 177.300 -0.075 0.000 1.148 141 P CA 1.105 64.202 63.100 -0.004 0.000 0.779 141 P CB -0.223 31.441 31.700 -0.060 0.000 0.780 142 H N -1.526 117.578 119.070 0.057 0.000 2.563 142 H HA 0.113 4.670 4.556 0.001 0.000 0.264 142 H C 0.587 175.956 175.328 0.068 0.000 0.957 142 H CA 0.106 56.188 56.048 0.057 0.000 1.173 142 H CB 0.396 30.191 29.762 0.055 0.000 1.420 142 H HN 0.091 nan 8.280 nan 0.000 0.551 143 I N 1.962 122.637 120.570 0.175 0.000 2.352 143 I HA 0.153 4.323 4.170 0.001 0.000 0.290 143 I C 1.258 177.443 176.117 0.113 0.000 1.036 143 I CA 0.028 61.414 61.300 0.144 0.000 1.336 143 I CB 0.802 38.888 38.000 0.144 0.000 1.407 143 I HN 0.045 nan 8.210 nan 0.000 0.497 144 G N 4.396 113.268 108.800 0.121 0.000 2.702 144 G HA2 0.618 4.579 3.960 0.001 0.000 0.254 144 G HA3 0.618 4.579 3.960 0.001 0.000 0.254 144 G C 0.180 175.154 174.900 0.123 0.000 1.380 144 G CA -0.528 44.641 45.100 0.116 0.000 1.042 144 G HN 0.696 nan 8.290 nan 0.000 0.557 145 G N -1.224 107.655 108.800 0.132 0.000 2.651 145 G HA2 0.438 4.399 3.960 0.001 0.000 0.260 145 G HA3 0.438 4.399 3.960 0.001 0.000 0.260 145 G C -0.006 174.981 174.900 0.145 0.000 1.216 145 G CA -0.342 44.834 45.100 0.127 0.000 0.913 145 G HN 0.575 nan 8.290 nan 0.000 0.535 146 E N -0.976 119.290 120.200 0.110 0.000 2.425 146 E HA 0.301 4.652 4.350 0.001 0.000 0.258 146 E C 1.054 177.692 176.600 0.063 0.000 1.151 146 E CA 0.201 56.641 56.400 0.066 0.000 0.958 146 E CB 1.031 30.767 29.700 0.060 0.000 0.968 146 E HN 0.428 nan 8.360 nan 0.000 0.451 147 A N 1.253 124.040 122.820 -0.055 0.000 1.969 147 A HA 0.476 4.797 4.320 0.001 0.000 0.205 147 A C 0.759 178.343 177.584 -0.002 0.000 1.364 147 A CA 1.086 53.064 52.037 -0.097 0.000 0.756 147 A CB 0.404 19.197 19.000 -0.346 0.000 0.988 147 A HN 0.692 nan 8.150 nan 0.000 0.490 148 G N -1.862 106.924 108.800 -0.023 0.000 2.333 148 G HA2 0.399 4.360 3.960 0.001 0.000 0.288 148 G HA3 0.399 4.360 3.960 0.001 0.000 0.288 148 G C -0.177 174.711 174.900 -0.020 0.000 1.286 148 G CA -0.000 45.097 45.100 -0.005 0.000 0.865 148 G HN 0.632 nan 8.290 nan 0.000 0.506 155 P HA 0.427 nan 4.420 nan 0.000 0.281 155 P C 0.170 177.453 177.300 -0.028 0.000 1.249 155 P CA -0.459 62.618 63.100 -0.038 0.000 0.810 155 P CB 1.296 32.968 31.700 -0.047 0.000 1.008 156 A N 2.276 125.084 122.820 -0.020 0.000 1.877 156 A HA -0.031 4.289 4.320 0.001 0.000 0.216 156 A C 0.897 178.467 177.584 -0.023 0.000 1.186 156 A CA 1.330 53.359 52.037 -0.013 0.000 0.620 156 A CB -0.650 18.351 19.000 0.001 0.000 0.822 156 A HN 0.552 nan 8.150 nan 0.000 0.443 157 L N -1.694 119.512 121.223 -0.029 0.000 2.431 157 L HA 0.577 4.918 4.340 0.001 0.000 0.266 157 L C -1.168 175.671 176.870 -0.051 0.000 0.978 157 L CA 0.027 54.842 54.840 -0.042 0.000 0.822 157 L CB 2.313 44.344 42.059 -0.046 0.000 1.310 157 L HN -0.054 nan 8.230 nan 0.000 0.409 158 T N 5.869 120.385 114.554 -0.063 0.000 2.842 158 T HA 0.452 4.803 4.350 0.001 0.000 0.308 158 T C -0.568 174.066 174.700 -0.109 0.000 1.041 158 T CA -0.172 61.885 62.100 -0.071 0.000 0.964 158 T CB 0.434 69.265 68.868 -0.062 0.000 0.972 158 T HN 0.493 nan 8.240 nan 0.000 0.460 159 L N 5.562 126.701 121.223 -0.141 0.000 2.257 159 L HA 0.576 4.917 4.340 0.001 0.000 0.290 159 L C -0.771 175.908 176.870 -0.319 0.000 1.044 159 L CA -0.680 53.987 54.840 -0.288 0.000 0.810 159 L CB 0.543 42.395 42.059 -0.346 0.000 1.193 159 L HN 0.609 nan 8.230 nan 0.000 0.425 160 I N 4.808 125.189 120.570 -0.316 0.000 2.355 160 I HA 0.295 4.465 4.170 0.001 0.000 0.288 160 I C -0.679 175.301 176.117 -0.228 0.000 0.999 160 I CA -0.416 60.779 61.300 -0.176 0.000 1.163 160 I CB 1.178 39.145 38.000 -0.055 0.000 1.316 160 I HN 0.352 nan 8.210 nan 0.000 0.454 161 F N 3.318 123.166 119.950 -0.170 0.000 2.399 161 F HA 0.291 4.819 4.527 0.001 0.000 0.328 161 F C 0.709 176.531 175.800 0.038 0.000 1.084 161 F CA -0.745 57.196 58.000 -0.098 0.000 1.053 161 F CB 0.724 39.632 39.000 -0.154 0.000 1.209 161 F HN 0.358 nan 8.300 nan 0.000 0.502 162 D N 3.207 123.780 120.400 0.289 0.000 2.479 162 D HA 0.332 4.973 4.640 0.001 0.000 0.218 162 D C -0.174 176.305 176.300 0.299 0.000 1.131 162 D CA 0.078 54.238 54.000 0.267 0.000 0.916 162 D CB -0.084 40.869 40.800 0.254 0.000 1.022 162 D HN 0.555 nan 8.370 nan 0.000 0.515 163 R N 1.058 121.702 120.500 0.240 0.000 3.976 163 R HA -0.174 4.166 4.340 0.001 0.000 0.448 163 R C -0.554 175.761 176.300 0.026 0.000 0.289 163 R CA -0.033 56.124 56.100 0.096 0.000 1.411 163 R CB -0.653 29.605 30.300 -0.069 0.000 1.199 163 R HN 0.633 nan 8.270 nan 0.000 0.493 164 H N 1.850 120.785 119.070 -0.224 0.000 2.731 164 H HA 0.282 4.838 4.556 0.001 0.000 0.368 164 H C -1.982 173.088 175.328 -0.430 0.000 1.168 164 H CA -2.198 53.635 56.048 -0.358 0.000 1.181 164 H CB 2.229 31.724 29.762 -0.445 0.000 1.743 164 H HN 0.202 nan 8.280 nan 0.000 0.547 165 P HA -0.167 nan 4.420 nan 0.000 0.218 165 P C 1.659 178.964 177.300 0.008 0.000 1.146 165 P CA 1.805 64.775 63.100 -0.217 0.000 0.820 165 P CB -0.147 31.392 31.700 -0.268 0.000 0.778 166 I N -4.041 116.663 120.570 0.223 0.000 2.567 166 I HA -0.128 4.043 4.170 0.001 0.000 0.257 166 I C 1.970 178.139 176.117 0.088 0.000 1.184 166 I CA 1.475 62.855 61.300 0.134 0.000 1.451 166 I CB -1.060 36.986 38.000 0.076 0.000 1.089 166 I HN -0.172 nan 8.210 nan 0.000 0.441 167 A N 1.484 124.377 122.820 0.121 0.000 1.929 167 A HA 0.202 4.523 4.320 0.001 0.000 0.216 167 A C 2.473 180.214 177.584 0.261 0.000 1.176 167 A CA 1.489 53.679 52.037 0.255 0.000 0.628 167 A CB -0.604 18.589 19.000 0.322 0.000 0.816 167 A HN 0.561 nan 8.150 nan 0.000 0.444 168 A N -1.318 121.594 122.820 0.153 0.000 2.147 168 A HA 0.431 4.751 4.320 0.001 0.000 0.211 168 A C 1.792 179.321 177.584 -0.091 0.000 1.160 168 A CA 0.577 52.667 52.037 0.088 0.000 0.781 168 A CB -0.159 18.986 19.000 0.243 0.000 0.842 168 A HN 0.401 nan 8.150 nan 0.000 0.475 169 L N -1.639 119.569 121.223 -0.025 0.000 2.609 169 L HA 0.250 4.591 4.340 0.001 0.000 0.230 169 L C 1.768 178.662 176.870 0.039 0.000 1.087 169 L CA 0.215 55.028 54.840 -0.045 0.000 0.874 169 L CB 0.557 42.654 42.059 0.064 0.000 1.114 169 L HN 0.445 nan 8.230 nan 0.000 0.488 170 L N -2.346 118.893 121.223 0.028 0.000 2.769 170 L HA 0.141 4.481 4.340 0.001 0.000 0.175 170 L C 2.091 178.942 176.870 -0.031 0.000 1.099 170 L CA 1.042 55.896 54.840 0.024 0.000 0.876 170 L CB -0.300 41.750 42.059 -0.015 0.000 1.498 170 L HN -0.009 nan 8.230 nan 0.000 0.499 171 C N -0.004 119.228 119.300 -0.114 0.000 2.442 171 C HA -0.142 4.319 4.460 0.001 0.000 0.279 171 C C 2.520 177.375 174.990 -0.226 0.000 1.237 171 C CA 1.170 60.010 59.018 -0.297 0.000 1.722 171 C CB -1.256 26.113 27.740 -0.619 0.000 2.056 171 C HN 0.624 nan 8.230 nan 0.000 0.469 172 Y N 1.432 121.705 120.300 -0.045 0.000 2.145 172 Y HA -0.084 4.466 4.550 0.001 0.000 0.286 172 Y C 0.106 175.987 175.900 -0.032 0.000 1.145 172 Y CA 2.000 60.083 58.100 -0.028 0.000 1.148 172 Y CB -2.050 36.383 38.460 -0.046 0.000 0.981 172 Y HN 0.293 nan 8.280 nan 0.000 0.507 173 P HA -0.219 nan 4.420 nan 0.000 0.215 173 P C 1.398 178.769 177.300 0.118 0.000 1.153 173 P CA 2.385 65.550 63.100 0.109 0.000 0.853 173 P CB -0.165 31.627 31.700 0.154 0.000 0.788 174 A N -0.035 122.826 122.820 0.068 0.000 1.902 174 A HA -0.139 4.181 4.320 0.001 0.000 0.217 174 A C 2.335 179.937 177.584 0.029 0.000 1.181 174 A CA 2.206 54.273 52.037 0.051 0.000 0.623 174 A CB -1.639 17.337 19.000 -0.039 0.000 0.818 174 A HN 0.195 nan 8.150 nan 0.000 0.443 175 A N -0.426 122.360 122.820 -0.058 0.000 1.877 175 A HA -0.164 4.156 4.320 0.001 0.000 0.216 175 A C 2.174 179.736 177.584 -0.037 0.000 1.186 175 A CA 1.504 53.490 52.037 -0.085 0.000 0.620 175 A CB -0.452 18.449 19.000 -0.164 0.000 0.822 175 A HN 0.391 nan 8.150 nan 0.000 0.443 176 R N -1.586 118.919 120.500 0.009 0.000 2.152 176 R HA -0.132 4.208 4.340 0.001 0.000 0.232 176 R C 1.950 178.271 176.300 0.034 0.000 1.117 176 R CA 1.518 57.629 56.100 0.019 0.000 0.981 176 R CB -1.041 29.284 30.300 0.041 0.000 0.870 176 R HN 0.797 nan 8.270 nan 0.000 0.451 177 Y N 1.381 121.663 120.300 -0.030 0.000 2.200 177 Y HA -0.096 4.455 4.550 0.001 0.000 0.290 177 Y C 1.994 177.855 175.900 -0.065 0.000 1.137 177 Y CA 1.268 59.345 58.100 -0.039 0.000 1.163 177 Y CB -0.447 37.986 38.460 -0.046 0.000 0.988 177 Y HN -0.101 nan 8.280 nan 0.000 0.518 178 L N -0.178 120.863 121.223 -0.303 0.000 2.265 178 L HA -0.194 4.147 4.340 0.001 0.000 0.215 178 L C 1.821 178.533 176.870 -0.263 0.000 1.117 178 L CA 0.749 55.376 54.840 -0.356 0.000 0.782 178 L CB -0.395 41.552 42.059 -0.187 0.000 0.914 178 L HN 0.328 nan 8.230 nan 0.000 0.441 179 M N -0.858 118.634 119.600 -0.180 0.000 2.495 179 M HA 0.198 4.679 4.480 0.001 0.000 0.237 179 M C 1.555 177.783 176.300 -0.121 0.000 1.131 179 M CA 0.685 55.913 55.300 -0.121 0.000 1.032 179 M CB -0.481 32.077 32.600 -0.070 0.000 1.513 179 M HN 0.353 nan 8.290 nan 0.000 0.488 180 G N 0.941 109.637 108.800 -0.173 0.000 2.162 180 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 180 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 180 G C 0.739 175.609 174.900 -0.051 0.000 0.976 180 G CA 0.763 45.786 45.100 -0.129 0.000 0.655 180 G HN 0.575 nan 8.290 nan 0.000 0.533 181 S N -1.417 114.267 115.700 -0.028 0.000 2.572 181 S HA 0.708 5.178 4.470 0.001 0.000 0.228 181 S C 0.346 174.976 174.600 0.049 0.000 0.963 181 S CA 0.607 58.811 58.200 0.006 0.000 0.939 181 S CB 0.399 63.595 63.200 -0.007 0.000 0.804 181 S HN 0.878 nan 8.310 nan 0.000 0.480 182 M N 2.206 121.861 119.600 0.092 0.000 2.413 182 M HA 0.335 4.815 4.480 0.001 0.000 0.287 182 M C -1.094 175.328 176.300 0.204 0.000 1.186 182 M CA -0.266 55.121 55.300 0.144 0.000 0.927 182 M CB 2.172 34.876 32.600 0.173 0.000 1.715 182 M HN 0.274 nan 8.290 nan 0.000 0.478 183 T N 0.620 115.261 114.554 0.144 0.000 2.904 183 T HA 0.459 4.810 4.350 0.001 0.000 0.290 183 T C -2.071 172.656 174.700 0.044 0.000 1.018 183 T CA -1.298 60.875 62.100 0.122 0.000 1.075 183 T CB 0.674 69.573 68.868 0.052 0.000 0.986 183 T HN 0.551 nan 8.240 nan 0.000 0.523 184 P HA -0.071 nan 4.420 nan 0.000 0.223 184 P C 1.087 178.267 177.300 -0.199 0.000 1.151 184 P CA 0.962 63.849 63.100 -0.355 0.000 0.787 184 P CB 0.148 31.489 31.700 -0.598 0.000 0.788 185 Q N 0.272 119.966 119.800 -0.176 0.000 2.123 185 Q HA 0.003 4.344 4.340 0.001 0.000 0.199 185 Q C 2.461 178.440 176.000 -0.036 0.000 0.966 185 Q CA 1.828 57.568 55.803 -0.106 0.000 0.845 185 Q CB -1.230 27.513 28.738 0.008 0.000 0.907 185 Q HN 0.198 nan 8.270 nan 0.000 0.439 186 A N 0.187 122.977 122.820 -0.050 0.000 1.930 186 A HA -0.125 4.196 4.320 0.001 0.000 0.217 186 A C 2.295 179.816 177.584 -0.105 0.000 1.175 186 A CA 1.329 53.288 52.037 -0.131 0.000 0.627 186 A CB -0.742 18.216 19.000 -0.070 0.000 0.815 186 A HN 0.220 nan 8.150 nan 0.000 0.443 187 V N 0.186 120.144 119.914 0.073 0.000 2.343 187 V HA -0.254 3.867 4.120 0.001 0.000 0.247 187 V C 2.475 178.627 176.094 0.096 0.000 1.051 187 V CA 1.943 64.365 62.300 0.204 0.000 1.036 187 V CB -0.739 31.217 31.823 0.222 0.000 0.654 187 V HN 0.574 nan 8.190 nan 0.000 0.451 188 L N -0.128 121.076 121.223 -0.032 0.000 2.291 188 L HA -0.037 4.304 4.340 0.001 0.000 0.214 188 L C 2.624 179.471 176.870 -0.039 0.000 1.120 188 L CA 1.038 55.812 54.840 -0.110 0.000 0.799 188 L CB -0.684 41.293 42.059 -0.137 0.000 0.925 188 L HN 0.353 nan 8.230 nan 0.000 0.446 189 A N -0.003 122.774 122.820 -0.071 0.000 1.929 189 A HA -0.150 4.171 4.320 0.001 0.000 0.216 189 A C 1.930 179.446 177.584 -0.115 0.000 1.176 189 A CA 1.229 53.188 52.037 -0.130 0.000 0.628 189 A CB -0.534 18.321 19.000 -0.241 0.000 0.816 189 A HN 0.277 nan 8.150 nan 0.000 0.444 190 F N -0.246 119.718 119.950 0.023 0.000 2.206 190 F HA -0.075 4.453 4.527 0.002 0.000 0.298 190 F C 2.402 178.209 175.800 0.011 0.000 1.090 190 F CA 1.024 59.041 58.000 0.028 0.000 1.323 190 F CB -0.771 38.255 39.000 0.044 0.000 1.028 190 F HN 0.010 nan 8.300 nan 0.000 0.492 191 V N 0.041 120.047 119.914 0.153 0.000 2.407 191 V HA -0.287 3.834 4.120 0.001 0.000 0.248 191 V C 2.545 178.658 176.094 0.032 0.000 1.055 191 V CA 1.716 64.046 62.300 0.049 0.000 1.049 191 V CB -1.358 30.425 31.823 -0.067 0.000 0.662 191 V HN 0.351 nan 8.190 nan 0.000 0.455 192 A N -0.744 122.091 122.820 0.025 0.000 2.121 192 A HA -0.005 4.316 4.320 0.001 0.000 0.218 192 A C 1.936 179.542 177.584 0.037 0.000 1.154 192 A CA 1.190 53.240 52.037 0.022 0.000 0.679 192 A CB -0.352 18.655 19.000 0.012 0.000 0.795 192 A HN 0.556 nan 8.150 nan 0.000 0.458 193 L N -0.272 120.991 121.223 0.067 0.000 2.667 193 L HA 0.308 4.649 4.340 0.001 0.000 0.232 193 L C -0.173 176.744 176.870 0.078 0.000 1.138 193 L CA -0.360 54.526 54.840 0.077 0.000 0.921 193 L CB 0.081 42.208 42.059 0.112 0.000 1.180 193 L HN 0.226 nan 8.230 nan 0.000 0.487 194 I N 2.177 122.788 120.570 0.069 0.000 2.598 194 I HA 0.055 4.226 4.170 0.001 0.000 0.284 194 I C -1.805 174.337 176.117 0.041 0.000 1.140 194 I CA -1.655 59.679 61.300 0.058 0.000 1.420 194 I CB 0.322 38.354 38.000 0.053 0.000 1.387 194 I HN -0.151 nan 8.210 nan 0.000 0.553 195 P HA 0.073 nan 4.420 nan 0.000 0.267 195 P C -2.402 174.914 177.300 0.027 0.000 1.200 195 P CA -0.849 62.264 63.100 0.021 0.000 0.772 195 P CB -0.299 31.401 31.700 -0.001 0.000 0.855 196 P HA -0.019 nan 4.420 nan 0.000 0.265 196 P C -0.321 177.002 177.300 0.038 0.000 1.187 196 P CA 0.572 63.691 63.100 0.032 0.000 0.766 196 P CB -0.048 31.670 31.700 0.031 0.000 0.820 197 T N 4.229 118.806 114.554 0.038 0.000 2.727 197 T HA 0.250 4.601 4.350 0.001 0.000 0.295 197 T C 0.542 175.276 174.700 0.056 0.000 0.915 197 T CA -0.164 61.961 62.100 0.042 0.000 1.066 197 T CB -0.351 68.525 68.868 0.014 0.000 0.891 197 T HN 0.152 nan 8.240 nan 0.000 0.516 198 L N 5.141 126.410 121.223 0.077 0.000 2.456 198 L HA 0.395 4.736 4.340 0.001 0.000 0.257 198 L C -1.901 175.041 176.870 0.119 0.000 1.162 198 L CA -2.522 52.375 54.840 0.094 0.000 0.808 198 L CB 0.087 42.210 42.059 0.107 0.000 1.136 198 L HN 0.312 nan 8.230 nan 0.000 0.466 199 P HA 0.057 nan 4.420 nan 0.000 0.267 199 P C 0.360 177.765 177.300 0.174 0.000 1.200 199 P CA 0.346 63.535 63.100 0.148 0.000 0.772 199 P CB 0.495 32.268 31.700 0.122 0.000 0.855 200 G N 1.146 110.073 108.800 0.211 0.000 2.246 200 G HA2 -0.208 3.752 3.960 0.001 0.000 0.273 200 G HA3 -0.208 3.752 3.960 0.001 0.000 0.273 200 G C -0.003 175.066 174.900 0.281 0.000 1.055 200 G CA -0.054 45.168 45.100 0.203 0.000 0.851 200 G HN 0.568 nan 8.290 nan 0.000 0.500 201 T N 1.755 116.508 114.554 0.332 0.000 2.997 201 T HA 0.338 4.689 4.350 0.001 0.000 0.311 201 T C 0.271 175.187 174.700 0.360 0.000 1.079 201 T CA -0.422 61.864 62.100 0.310 0.000 0.982 201 T CB 0.215 69.162 68.868 0.132 0.000 1.032 201 T HN 0.375 nan 8.240 nan 0.000 0.581 202 N N 4.070 123.026 118.700 0.426 0.000 2.426 202 N HA 0.362 5.102 4.740 0.001 0.000 0.257 202 N C -0.609 175.164 175.510 0.438 0.000 1.002 202 N CA -0.292 53.032 53.050 0.457 0.000 0.942 202 N CB 1.661 40.334 38.487 0.311 0.000 1.112 202 N HN 0.519 nan 8.380 nan 0.000 0.499 203 I N 2.170 122.960 120.570 0.367 0.000 2.382 203 I HA 0.234 4.404 4.170 0.001 0.000 0.286 203 I C -0.147 176.144 176.117 0.291 0.000 1.002 203 I CA -0.971 60.489 61.300 0.267 0.000 1.135 203 I CB 1.780 39.813 38.000 0.055 0.000 1.288 203 I HN -0.004 nan 8.210 nan 0.000 0.448 204 V N 7.572 127.648 119.914 0.270 0.000 2.406 204 V HA 0.397 4.517 4.120 0.001 0.000 0.272 204 V C 0.196 176.407 176.094 0.194 0.000 1.043 204 V CA -0.327 62.117 62.300 0.240 0.000 0.915 204 V CB 1.208 33.143 31.823 0.187 0.000 0.988 204 V HN 0.484 nan 8.190 nan 0.000 0.466 205 L N 3.884 125.213 121.223 0.176 0.000 2.333 205 L HA 0.809 5.149 4.340 0.001 0.000 0.269 205 L C 0.712 177.687 176.870 0.175 0.000 1.010 205 L CA -0.560 54.361 54.840 0.135 0.000 0.818 205 L CB 1.935 44.071 42.059 0.129 0.000 1.306 205 L HN 0.713 nan 8.230 nan 0.000 0.430 206 G N 0.437 109.343 108.800 0.177 0.000 2.437 206 G HA2 0.675 4.635 3.960 0.001 0.000 0.319 206 G HA3 0.675 4.635 3.960 0.001 0.000 0.319 206 G C -1.104 173.898 174.900 0.171 0.000 1.158 206 G CA -0.411 44.876 45.100 0.312 0.000 0.899 206 G HN 0.716 nan 8.290 nan 0.000 0.502 207 A N 0.382 123.319 122.820 0.196 0.000 2.318 207 A HA 0.780 5.101 4.320 0.001 0.000 0.317 207 A C -1.175 176.475 177.584 0.110 0.000 1.159 207 A CA -0.533 51.573 52.037 0.115 0.000 0.799 207 A CB 1.525 20.576 19.000 0.084 0.000 1.194 207 A HN 1.326 nan 8.150 nan 0.000 0.479 208 L N 3.539 124.803 121.223 0.067 0.000 2.705 208 L HA 0.524 4.865 4.340 0.001 0.000 0.260 208 L C -2.844 174.061 176.870 0.059 0.000 0.921 208 L CA -0.908 53.958 54.840 0.042 0.000 0.948 208 L CB 1.921 43.952 42.059 -0.046 0.000 1.427 208 L HN 0.467 nan 8.230 nan 0.000 0.432 209 P HA 0.111 nan 4.420 nan 0.000 0.264 209 P C 0.480 177.825 177.300 0.075 0.000 1.183 209 P CA 0.135 63.267 63.100 0.053 0.000 0.763 209 P CB 0.690 32.413 31.700 0.038 0.000 0.807 210 E N 2.051 122.291 120.200 0.067 0.000 2.086 210 E HA -0.314 4.037 4.350 0.001 0.000 0.200 210 E C 0.811 177.445 176.600 0.057 0.000 1.012 210 E CA 1.761 58.198 56.400 0.062 0.000 0.812 210 E CB -0.039 29.671 29.700 0.016 0.000 0.743 210 E HN 0.417 nan 8.360 nan 0.000 0.453 211 D N -0.265 120.158 120.400 0.037 0.000 2.144 211 D HA -0.135 4.506 4.640 0.001 0.000 0.199 211 D C 2.016 178.341 176.300 0.042 0.000 0.984 211 D CA 0.723 54.740 54.000 0.029 0.000 0.834 211 D CB -0.165 40.645 40.800 0.018 0.000 0.955 211 D HN 0.123 nan 8.370 nan 0.000 0.465 212 R N -0.368 120.162 120.500 0.050 0.000 2.115 212 R HA -0.083 4.258 4.340 0.001 0.000 0.230 212 R C 2.107 178.449 176.300 0.069 0.000 1.111 212 R CA 0.740 56.867 56.100 0.044 0.000 0.976 212 R CB -0.525 29.794 30.300 0.033 0.000 0.870 212 R HN 0.490 nan 8.270 nan 0.000 0.445 213 H N 0.323 119.377 119.070 -0.026 0.000 2.326 213 H HA 0.002 4.559 4.556 0.001 0.000 0.301 213 H C 2.189 177.484 175.328 -0.055 0.000 1.081 213 H CA 1.416 57.433 56.048 -0.051 0.000 1.334 213 H CB 0.103 29.828 29.762 -0.062 0.000 1.385 213 H HN 0.042 nan 8.280 nan 0.000 0.504 214 I N 0.672 121.304 120.570 0.104 0.000 2.163 214 I HA -0.293 3.878 4.170 0.001 0.000 0.243 214 I C 1.951 178.086 176.117 0.030 0.000 1.085 214 I CA 1.436 62.745 61.300 0.016 0.000 1.347 214 I CB -0.264 37.730 38.000 -0.009 0.000 1.044 214 I HN 0.378 nan 8.210 nan 0.000 0.408 215 D N 0.537 120.958 120.400 0.035 0.000 2.087 215 D HA -0.202 4.439 4.640 0.001 0.000 0.192 215 D C 2.274 178.589 176.300 0.024 0.000 0.993 215 D CA 1.283 55.296 54.000 0.023 0.000 0.828 215 D CB -0.289 40.523 40.800 0.020 0.000 0.968 215 D HN 0.136 nan 8.370 nan 0.000 0.448 216 R N -0.266 120.252 120.500 0.030 0.000 2.120 216 R HA -0.108 4.232 4.340 0.001 0.000 0.234 216 R C 2.078 178.392 176.300 0.024 0.000 1.123 216 R CA 0.616 56.726 56.100 0.016 0.000 0.975 216 R CB -0.275 30.019 30.300 -0.010 0.000 0.866 216 R HN 0.115 nan 8.270 nan 0.000 0.446 217 L N 0.034 121.289 121.223 0.053 0.000 2.217 217 L HA 0.058 4.399 4.340 0.001 0.000 0.211 217 L C 1.976 178.853 176.870 0.012 0.000 1.107 217 L CA 1.728 56.592 54.840 0.040 0.000 0.783 217 L CB -0.420 41.664 42.059 0.041 0.000 0.919 217 L HN 0.149 nan 8.230 nan 0.000 0.442 218 A N -1.013 121.812 122.820 0.007 0.000 2.066 218 A HA -0.146 4.175 4.320 0.001 0.000 0.218 218 A C 2.221 179.804 177.584 -0.002 0.000 1.157 218 A CA 1.317 53.352 52.037 -0.004 0.000 0.670 218 A CB -0.379 18.619 19.000 -0.003 0.000 0.804 218 A HN 0.479 nan 8.150 nan 0.000 0.453 219 K N -0.641 119.762 120.400 0.005 0.000 2.365 219 K HA -0.004 4.316 4.320 0.001 0.000 0.197 219 K C 0.912 177.516 176.600 0.007 0.000 1.042 219 K CA 0.697 56.987 56.287 0.005 0.000 0.987 219 K CB 0.147 32.651 32.500 0.007 0.000 0.779 219 K HN 0.568 nan 8.250 nan 0.000 0.484 220 R N 1.133 121.640 120.500 0.012 0.000 2.564 220 R HA 0.167 4.508 4.340 0.001 0.000 0.282 220 R C -0.942 175.368 176.300 0.016 0.000 1.573 220 R CA -0.443 55.669 56.100 0.019 0.000 1.588 220 R CB 0.576 30.895 30.300 0.031 0.000 1.154 220 R HN -0.167 nan 8.270 nan 0.000 0.606 221 Q N 3.493 123.290 119.800 -0.005 0.000 2.323 221 Q HA 0.206 4.546 4.340 0.001 0.000 0.257 221 Q C -0.155 175.829 176.000 -0.027 0.000 1.022 221 Q CA -0.029 55.756 55.803 -0.031 0.000 0.919 221 Q CB 1.386 30.092 28.738 -0.052 0.000 1.220 221 Q HN 0.428 nan 8.270 nan 0.000 0.427 222 R N 2.912 123.397 120.500 -0.026 0.000 2.774 222 R HA 0.186 4.527 4.340 0.001 0.000 0.269 222 R C -1.928 174.356 176.300 -0.028 0.000 1.068 222 R CA -1.564 54.532 56.100 -0.007 0.000 1.180 222 R CB -0.360 29.952 30.300 0.021 0.000 1.077 222 R HN 0.361 nan 8.270 nan 0.000 0.513 223 P HA -0.068 nan 4.420 nan 0.000 0.256 223 P C 0.444 177.743 177.300 -0.001 0.000 1.189 223 P CA 0.908 64.011 63.100 0.004 0.000 0.808 223 P CB 0.053 31.770 31.700 0.029 0.000 0.793 224 G N 2.112 110.898 108.800 -0.023 0.000 2.175 224 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 224 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 224 G C 0.056 174.917 174.900 -0.066 0.000 0.982 224 G CA -0.009 45.083 45.100 -0.014 0.000 0.641 224 G HN 0.628 nan 8.290 nan 0.000 0.527 225 E N 0.412 120.492 120.200 -0.200 0.000 2.343 225 E HA 0.605 4.955 4.350 0.001 0.000 0.269 225 E C 0.308 176.635 176.600 -0.454 0.000 1.047 225 E CA -0.732 55.321 56.400 -0.578 0.000 0.874 225 E CB 0.470 29.840 29.700 -0.552 0.000 1.033 225 E HN 0.393 nan 8.360 nan 0.000 0.409 226 R N 3.037 123.179 120.500 -0.596 0.000 2.494 226 R HA 0.279 4.619 4.340 0.001 0.000 0.305 226 R C -0.879 175.324 176.300 -0.162 0.000 0.959 226 R CA -1.036 54.932 56.100 -0.219 0.000 0.864 226 R CB 1.161 31.440 30.300 -0.036 0.000 1.159 226 R HN 0.408 nan 8.270 nan 0.000 0.446 227 L N 3.543 124.714 121.223 -0.087 0.000 2.536 227 L HA 0.097 4.438 4.340 0.001 0.000 0.282 227 L C -0.605 176.275 176.870 0.016 0.000 1.174 227 L CA 0.454 55.271 54.840 -0.039 0.000 0.989 227 L CB -0.189 41.848 42.059 -0.037 0.000 1.311 227 L HN 0.460 nan 8.230 nan 0.000 0.455 228 D N 3.964 124.403 120.400 0.065 0.000 2.392 228 D HA 0.135 4.775 4.640 0.001 0.000 0.228 228 D C 0.994 177.319 176.300 0.041 0.000 1.074 228 D CA -0.265 53.788 54.000 0.088 0.000 0.838 228 D CB 0.996 41.902 40.800 0.176 0.000 1.067 228 D HN 0.522 nan 8.370 nan 0.000 0.511 229 L N 2.928 124.157 121.223 0.010 0.000 2.201 229 L HA -0.072 4.269 4.340 0.001 0.000 0.212 229 L C 2.323 179.177 176.870 -0.025 0.000 1.105 229 L CA 0.980 55.807 54.840 -0.022 0.000 0.775 229 L CB -0.186 41.859 42.059 -0.022 0.000 0.913 229 L HN 0.447 nan 8.230 nan 0.000 0.440 230 A N -0.261 122.555 122.820 -0.008 0.000 1.897 230 A HA -0.235 4.086 4.320 0.001 0.000 0.215 230 A C 2.221 179.793 177.584 -0.021 0.000 1.181 230 A CA 1.656 53.681 52.037 -0.020 0.000 0.620 230 A CB -0.393 18.597 19.000 -0.017 0.000 0.821 230 A HN 0.331 nan 8.150 nan 0.000 0.443 231 M N -0.643 118.965 119.600 0.013 0.000 2.132 231 M HA -0.045 4.436 4.480 0.001 0.000 0.263 231 M C 1.812 178.111 176.300 -0.002 0.000 1.065 231 M CA 1.519 56.836 55.300 0.027 0.000 1.122 231 M CB -0.611 32.056 32.600 0.112 0.000 1.365 231 M HN 0.312 nan 8.290 nan 0.000 0.411 232 L N 0.379 121.581 121.223 -0.036 0.000 2.079 232 L HA -0.037 4.304 4.340 0.001 0.000 0.210 232 L C 2.292 179.085 176.870 -0.129 0.000 1.081 232 L CA 2.217 56.973 54.840 -0.140 0.000 0.752 232 L CB -1.248 40.677 42.059 -0.224 0.000 0.896 232 L HN 0.357 nan 8.230 nan 0.000 0.433 233 A N -0.590 122.177 122.820 -0.088 0.000 1.873 233 A HA -0.070 4.250 4.320 0.001 0.000 0.215 233 A C 2.467 180.013 177.584 -0.063 0.000 1.186 233 A CA 1.786 53.780 52.037 -0.071 0.000 0.616 233 A CB -1.223 17.742 19.000 -0.058 0.000 0.823 233 A HN 0.558 nan 8.150 nan 0.000 0.442 234 A N -0.283 122.498 122.820 -0.064 0.000 1.865 234 A HA -0.160 4.161 4.320 0.001 0.000 0.217 234 A C 2.130 179.667 177.584 -0.078 0.000 1.191 234 A CA 1.926 53.919 52.037 -0.074 0.000 0.623 234 A CB -0.675 18.281 19.000 -0.074 0.000 0.826 234 A HN 0.585 nan 8.150 nan 0.000 0.444 235 I N -0.472 120.055 120.570 -0.073 0.000 2.315 235 I HA -0.170 4.001 4.170 0.001 0.000 0.248 235 I C 2.466 178.615 176.117 0.053 0.000 1.117 235 I CA 1.355 62.616 61.300 -0.064 0.000 1.404 235 I CB -0.290 37.663 38.000 -0.078 0.000 1.071 235 I HN 0.252 nan 8.210 nan 0.000 0.419 236 R N -0.417 120.093 120.500 0.017 0.000 2.092 236 R HA -0.132 4.209 4.340 0.001 0.000 0.231 236 R C 2.485 178.818 176.300 0.056 0.000 1.119 236 R CA 1.338 57.473 56.100 0.058 0.000 0.970 236 R CB -0.417 29.887 30.300 0.006 0.000 0.864 236 R HN 0.323 nan 8.270 nan 0.000 0.440 237 R N 0.713 121.212 120.500 -0.001 0.000 2.066 237 R HA -0.108 4.233 4.340 0.001 0.000 0.232 237 R C 2.070 178.345 176.300 -0.041 0.000 1.131 237 R CA 1.402 57.489 56.100 -0.022 0.000 0.955 237 R CB -0.221 30.050 30.300 -0.049 0.000 0.851 237 R HN 0.048 nan 8.270 nan 0.000 0.432 238 V N 0.458 120.322 119.914 -0.083 0.000 2.287 238 V HA -0.284 3.837 4.120 0.001 0.000 0.248 238 V C 1.974 177.950 176.094 -0.198 0.000 1.053 238 V CA 1.891 64.084 62.300 -0.178 0.000 1.027 238 V CB -0.648 31.010 31.823 -0.275 0.000 0.646 238 V HN 0.369 nan 8.190 nan 0.000 0.447 239 Y N 1.002 121.263 120.300 -0.065 0.000 2.293 239 Y HA -0.056 4.495 4.550 0.001 0.000 0.291 239 Y C 2.491 178.379 175.900 -0.020 0.000 1.137 239 Y CA 1.443 59.522 58.100 -0.035 0.000 1.202 239 Y CB -0.959 37.494 38.460 -0.011 0.000 0.990 239 Y HN 0.275 nan 8.280 nan 0.000 0.537 240 G N -0.207 108.658 108.800 0.109 0.000 2.402 240 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 240 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 240 G C 1.626 176.539 174.900 0.022 0.000 1.162 240 G CA 0.886 46.025 45.100 0.064 0.000 0.777 240 G HN 0.340 nan 8.290 nan 0.000 0.539 241 L N -0.177 121.034 121.223 -0.020 0.000 2.083 241 L HA -0.014 4.327 4.340 0.001 0.000 0.209 241 L C 2.682 179.512 176.870 -0.067 0.000 1.083 241 L CA 0.505 55.313 54.840 -0.053 0.000 0.752 241 L CB -0.446 41.557 42.059 -0.094 0.000 0.899 241 L HN 0.253 nan 8.230 nan 0.000 0.433 242 L N 0.438 121.612 121.223 -0.082 0.000 2.017 242 L HA -0.169 4.172 4.340 0.001 0.000 0.208 242 L C 2.681 179.537 176.870 -0.024 0.000 1.073 242 L CA 2.071 56.858 54.840 -0.087 0.000 0.745 242 L CB -0.696 41.289 42.059 -0.122 0.000 0.894 242 L HN 0.128 nan 8.230 nan 0.000 0.432 243 A N -0.137 122.696 122.820 0.021 0.000 1.883 243 A HA -0.252 4.068 4.320 0.001 0.000 0.217 243 A C 2.076 179.679 177.584 0.033 0.000 1.186 243 A CA 2.082 54.140 52.037 0.034 0.000 0.624 243 A CB -0.941 18.093 19.000 0.056 0.000 0.822 243 A HN 0.651 nan 8.150 nan 0.000 0.444 244 N N -0.279 118.442 118.700 0.035 0.000 2.188 244 N HA -0.093 4.648 4.740 0.001 0.000 0.184 244 N C 1.711 177.278 175.510 0.096 0.000 1.018 244 N CA 1.847 54.934 53.050 0.061 0.000 0.858 244 N CB -0.940 37.576 38.487 0.048 0.000 0.989 244 N HN 0.518 nan 8.380 nan 0.000 0.426 245 T N 0.983 115.564 114.554 0.046 0.000 2.708 245 T HA -0.048 4.302 4.350 0.001 0.000 0.266 245 T C 2.182 176.974 174.700 0.153 0.000 1.037 245 T CA 0.912 63.057 62.100 0.076 0.000 1.146 245 T CB -0.389 68.425 68.868 -0.089 0.000 0.865 245 T HN -0.031 nan 8.240 nan 0.000 0.435 246 V N 1.523 121.476 119.914 0.066 0.000 2.287 246 V HA -0.216 3.904 4.120 0.001 0.000 0.248 246 V C 2.674 178.813 176.094 0.075 0.000 1.053 246 V CA 1.684 64.013 62.300 0.047 0.000 1.027 246 V CB -0.596 31.217 31.823 -0.017 0.000 0.646 246 V HN 0.385 nan 8.190 nan 0.000 0.447 247 R N -1.167 119.381 120.500 0.081 0.000 2.080 247 R HA -0.232 4.109 4.340 0.001 0.000 0.236 247 R C 2.337 178.715 176.300 0.130 0.000 1.137 247 R CA 2.337 58.487 56.100 0.082 0.000 0.943 247 R CB -0.715 29.633 30.300 0.081 0.000 0.846 247 R HN 0.638 nan 8.270 nan 0.000 0.431 248 Y N 1.741 122.082 120.300 0.068 0.000 2.069 248 Y HA -0.295 4.255 4.550 0.001 0.000 0.278 248 Y C 2.039 178.000 175.900 0.102 0.000 1.175 248 Y CA 1.849 60.008 58.100 0.099 0.000 1.134 248 Y CB -0.449 38.104 38.460 0.154 0.000 0.965 248 Y HN -0.011 nan 8.280 nan 0.000 0.498 249 L N -0.068 121.287 121.223 0.219 0.000 2.046 249 L HA -0.258 4.083 4.340 0.001 0.000 0.208 249 L C 2.527 179.404 176.870 0.011 0.000 1.077 249 L CA 1.694 56.600 54.840 0.111 0.000 0.747 249 L CB -0.631 41.563 42.059 0.226 0.000 0.896 249 L HN 0.339 nan 8.230 nan 0.000 0.432 250 Q N -1.258 118.553 119.800 0.019 0.000 2.291 250 Q HA -0.133 4.208 4.340 0.001 0.000 0.205 250 Q C 1.895 177.882 176.000 -0.022 0.000 0.970 250 Q CA 0.986 56.787 55.803 -0.004 0.000 0.876 250 Q CB -0.050 28.686 28.738 -0.004 0.000 0.935 250 Q HN 0.526 nan 8.270 nan 0.000 0.455 251 C N -0.233 119.041 119.300 -0.044 0.000 2.625 251 C HA 0.328 4.788 4.460 0.001 0.000 0.285 251 C C 1.496 176.421 174.990 -0.108 0.000 1.279 251 C CA 0.412 59.394 59.018 -0.060 0.000 1.698 251 C CB -0.726 26.989 27.740 -0.041 0.000 1.821 251 C HN 0.806 nan 8.230 nan 0.000 0.600 252 G N 0.170 108.890 108.800 -0.133 0.000 2.238 252 G HA2 -0.103 3.858 3.960 0.001 0.000 0.217 252 G HA3 -0.103 3.858 3.960 0.001 0.000 0.217 252 G C 0.477 175.226 174.900 -0.251 0.000 0.996 252 G CA -0.141 44.870 45.100 -0.149 0.000 0.632 252 G HN 0.789 nan 8.290 nan 0.000 0.503 253 G N 0.556 109.058 108.800 -0.497 0.000 2.138 253 G HA2 0.404 4.364 3.960 0.001 0.000 0.244 253 G HA3 0.404 4.364 3.960 0.001 0.000 0.244 253 G C 0.276 174.952 174.900 -0.373 0.000 1.166 253 G CA 1.372 45.892 45.100 -0.967 0.000 0.902 253 G HN 1.353 nan 8.290 nan 0.000 0.460 254 S N 3.955 119.550 115.700 -0.175 0.000 2.667 254 S HA 0.293 4.763 4.470 0.001 0.000 0.304 254 S C 1.165 175.764 174.600 -0.000 0.000 1.135 254 S CA -0.778 57.384 58.200 -0.064 0.000 1.125 254 S CB 0.040 63.164 63.200 -0.127 0.000 0.996 254 S HN 0.748 nan 8.310 nan 0.000 0.474 255 W N 6.175 127.411 121.300 -0.107 0.000 2.321 255 W HA -0.215 4.446 4.660 0.001 0.000 0.306 255 W C 1.015 177.460 176.519 -0.124 0.000 1.217 255 W CA 1.001 58.140 57.345 -0.342 0.000 1.257 255 W CB -0.646 28.097 29.460 -1.196 0.000 1.145 255 W HN 0.642 nan 8.180 nan 0.000 0.509 256 R N 0.840 120.634 120.500 -1.176 0.000 2.096 256 R HA -0.166 4.175 4.340 0.001 0.000 0.235 256 R C 2.419 178.487 176.300 -0.388 0.000 1.127 256 R CA 2.036 57.469 56.100 -1.112 0.000 0.968 256 R CB -0.575 29.025 30.300 -1.167 0.000 0.861 256 R HN 0.348 nan 8.270 nan 0.000 0.440 257 E N 0.500 120.543 120.200 -0.262 0.000 2.152 257 E HA -0.161 4.190 4.350 0.001 0.000 0.192 257 E C 0.582 177.171 176.600 -0.019 0.000 0.983 257 E CA 1.189 57.520 56.400 -0.116 0.000 0.818 257 E CB 0.243 29.880 29.700 -0.105 0.000 0.758 257 E HN 0.221 nan 8.360 nan 0.000 0.467 258 D N -0.362 120.062 120.400 0.040 0.000 2.349 258 D HA -0.065 4.576 4.640 0.001 0.000 0.214 258 D C 1.104 177.477 176.300 0.122 0.000 1.063 258 D CA -0.128 53.915 54.000 0.072 0.000 0.847 258 D CB -0.416 40.446 40.800 0.105 0.000 0.933 258 D HN 0.359 nan 8.370 nan 0.000 0.513 259 W N 2.237 123.532 121.300 -0.008 0.000 2.305 259 W HA -0.235 4.425 4.660 0.001 0.000 0.308 259 W C 1.831 178.372 176.519 0.037 0.000 1.226 259 W CA 1.976 59.359 57.345 0.062 0.000 1.253 259 W CB -0.371 29.158 29.460 0.115 0.000 1.146 259 W HN 0.069 nan 8.180 nan 0.000 0.507 260 G N 0.406 109.275 108.800 0.115 0.000 2.475 260 G HA2 -0.339 3.622 3.960 0.001 0.000 0.220 260 G HA3 -0.339 3.622 3.960 0.001 0.000 0.220 260 G C 1.367 176.234 174.900 -0.056 0.000 1.125 260 G CA 1.033 46.142 45.100 0.016 0.000 0.755 260 G HN 0.472 nan 8.290 nan 0.000 0.565 261 Q N -0.326 119.446 119.800 -0.047 0.000 2.439 261 Q HA 0.113 4.454 4.340 0.001 0.000 0.211 261 Q C 2.361 178.343 176.000 -0.031 0.000 0.978 261 Q CA 0.325 56.116 55.803 -0.021 0.000 0.897 261 Q CB -0.153 28.555 28.738 -0.050 0.000 0.956 261 Q HN 0.485 nan 8.270 nan 0.000 0.483 262 L N -0.806 120.315 121.223 -0.170 0.000 2.240 262 L HA -0.036 4.304 4.340 0.001 0.000 0.211 262 L C 1.430 178.196 176.870 -0.173 0.000 1.106 262 L CA 0.647 55.362 54.840 -0.209 0.000 0.793 262 L CB 0.168 41.942 42.059 -0.475 0.000 0.927 262 L HN -0.016 nan 8.230 nan 0.000 0.446 263 S N -0.576 115.024 115.700 -0.168 0.000 2.663 263 S HA 0.517 4.988 4.470 0.001 0.000 0.243 263 S C 0.358 174.925 174.600 -0.055 0.000 1.009 263 S CA 0.316 58.452 58.200 -0.107 0.000 0.988 263 S CB 0.889 64.024 63.200 -0.109 0.000 0.896 263 S HN 0.565 nan 8.310 nan 0.000 0.502 281 R N 0.849 121.382 120.500 0.055 0.000 2.728 281 R HA 0.779 5.119 4.340 0.001 0.000 0.274 281 R C -2.929 173.468 176.300 0.161 0.000 1.030 281 R CA -1.684 54.471 56.100 0.091 0.000 0.876 281 R CB -0.118 30.208 30.300 0.043 0.000 1.259 281 R HN 0.078 nan 8.270 nan 0.000 0.468 282 P HA 0.018 nan 4.420 nan 0.000 0.269 282 P C -0.848 176.623 177.300 0.284 0.000 1.209 282 P CA -0.106 63.128 63.100 0.222 0.000 0.776 282 P CB 0.304 32.123 31.700 0.198 0.000 0.876 283 H N 2.208 121.353 119.070 0.124 0.000 2.790 283 H HA 0.052 4.609 4.556 0.001 0.000 0.358 283 H C 1.222 176.581 175.328 0.052 0.000 1.103 283 H CA 0.068 56.178 56.048 0.103 0.000 1.426 283 H CB 0.780 30.572 29.762 0.051 0.000 1.424 283 H HN 0.451 nan 8.280 nan 0.000 0.599 284 I N 3.533 123.915 120.570 -0.313 0.000 2.567 284 I HA -0.163 4.008 4.170 0.001 0.000 0.257 284 I C 2.035 178.130 176.117 -0.036 0.000 1.184 284 I CA 1.464 62.612 61.300 -0.253 0.000 1.451 284 I CB -0.348 37.516 38.000 -0.227 0.000 1.089 284 I HN 0.780 nan 8.210 nan 0.000 0.441 285 G N -0.206 108.741 108.800 0.245 0.000 2.471 285 G HA2 -0.189 3.771 3.960 0.001 0.000 0.219 285 G HA3 -0.189 3.771 3.960 0.001 0.000 0.219 285 G C 0.927 175.888 174.900 0.101 0.000 1.125 285 G CA 0.653 45.895 45.100 0.235 0.000 0.775 285 G HN 0.400 nan 8.290 nan 0.000 0.548 286 D N 0.404 120.867 120.400 0.105 0.000 2.491 286 D HA 0.141 4.782 4.640 0.001 0.000 0.228 286 D C 1.023 177.324 176.300 0.002 0.000 1.183 286 D CA 0.285 54.311 54.000 0.044 0.000 0.827 286 D CB 0.496 41.336 40.800 0.066 0.000 0.989 286 D HN 0.408 nan 8.370 nan 0.000 0.494 287 T N -3.626 110.907 114.554 -0.035 0.000 2.888 287 T HA 0.410 4.761 4.350 0.001 0.000 0.288 287 T C 1.365 175.994 174.700 -0.118 0.000 1.063 287 T CA -0.714 61.336 62.100 -0.084 0.000 1.010 287 T CB 1.124 69.907 68.868 -0.142 0.000 1.214 287 T HN -0.162 nan 8.240 nan 0.000 0.533 288 L N -0.412 120.675 121.223 -0.225 0.000 2.265 288 L HA 0.039 4.380 4.340 0.001 0.000 0.215 288 L C 2.169 178.932 176.870 -0.179 0.000 1.117 288 L CA 1.131 55.823 54.840 -0.248 0.000 0.782 288 L CB -0.730 41.166 42.059 -0.270 0.000 0.914 288 L HN 0.594 nan 8.230 nan 0.000 0.441 289 F N 0.194 120.169 119.950 0.042 0.000 2.202 289 F HA -0.231 4.297 4.527 0.001 0.000 0.301 289 F C 2.798 178.654 175.800 0.093 0.000 1.082 289 F CA 1.640 59.733 58.000 0.154 0.000 1.313 289 F CB -1.505 37.575 39.000 0.133 0.000 1.024 289 F HN 0.195 nan 8.300 nan 0.000 0.495 290 T N -1.224 113.384 114.554 0.089 0.000 2.803 290 T HA -0.193 4.158 4.350 0.001 0.000 0.269 290 T C 2.002 176.636 174.700 -0.110 0.000 1.052 290 T CA 1.154 63.231 62.100 -0.037 0.000 1.136 290 T CB -0.863 67.968 68.868 -0.061 0.000 0.864 290 T HN 0.314 nan 8.240 nan 0.000 0.467 291 L N -0.675 120.391 121.223 -0.262 0.000 2.191 291 L HA 0.074 4.415 4.340 0.001 0.000 0.212 291 L C 1.483 178.000 176.870 -0.587 0.000 1.103 291 L CA 1.107 55.658 54.840 -0.481 0.000 0.769 291 L CB -0.601 40.932 42.059 -0.877 0.000 0.908 291 L HN 0.245 nan 8.230 nan 0.000 0.438 292 F N -0.813 119.140 119.950 0.005 0.000 2.663 292 F HA 0.146 4.673 4.527 0.001 0.000 0.299 292 F C 1.986 177.912 175.800 0.211 0.000 1.143 292 F CA 0.016 58.023 58.000 0.012 0.000 1.387 292 F CB -0.495 38.493 39.000 -0.019 0.000 1.019 292 F HN -0.100 nan 8.300 nan 0.000 0.523 293 R N 0.811 121.433 120.500 0.203 0.000 2.317 293 R HA 0.387 4.728 4.340 0.001 0.000 0.208 293 R C 0.847 177.210 176.300 0.106 0.000 0.914 293 R CA -0.096 56.093 56.100 0.149 0.000 1.060 293 R CB -0.040 30.162 30.300 -0.163 0.000 1.015 293 R HN 0.191 nan 8.270 nan 0.000 0.498 294 A N 1.972 124.840 122.820 0.080 0.000 2.587 294 A HA 0.051 4.372 4.320 0.001 0.000 0.233 294 A C -1.470 176.154 177.584 0.067 0.000 1.049 294 A CA -0.882 51.199 52.037 0.073 0.000 0.754 294 A CB 0.159 19.169 19.000 0.017 0.000 0.977 294 A HN 0.207 nan 8.150 nan 0.000 0.509 295 P HA -0.132 nan 4.420 nan 0.000 0.220 295 P C 0.620 177.961 177.300 0.069 0.000 1.148 295 P CA 1.310 64.449 63.100 0.066 0.000 0.803 295 P CB 0.140 31.873 31.700 0.056 0.000 0.782 296 E N -0.048 120.178 120.200 0.043 0.000 2.265 296 E HA -0.067 4.284 4.350 0.001 0.000 0.196 296 E C 1.874 178.481 176.600 0.012 0.000 0.996 296 E CA 0.792 57.209 56.400 0.029 0.000 0.832 296 E CB -0.760 28.935 29.700 -0.008 0.000 0.756 296 E HN 0.313 nan 8.360 nan 0.000 0.491 297 L N 0.123 121.306 121.223 -0.066 0.000 2.567 297 L HA 0.186 4.527 4.340 0.001 0.000 0.225 297 L C 0.231 177.263 176.870 0.271 0.000 1.119 297 L CA -0.091 54.682 54.840 -0.111 0.000 0.871 297 L CB -0.031 41.836 42.059 -0.321 0.000 1.036 297 L HN 0.041 nan 8.230 nan 0.000 0.459 298 L N -0.120 121.205 121.223 0.169 0.000 2.325 298 L HA 0.612 4.952 4.340 0.001 0.000 0.278 298 L C 0.497 177.288 176.870 -0.132 0.000 1.023 298 L CA -0.599 54.245 54.840 0.007 0.000 0.811 298 L CB 1.510 43.604 42.059 0.059 0.000 1.249 298 L HN -0.080 nan 8.230 nan 0.000 0.431 299 A N 3.292 125.770 122.820 -0.570 0.000 2.280 299 A HA 0.415 4.736 4.320 0.001 0.000 0.268 299 A C -1.648 175.864 177.584 -0.120 0.000 1.111 299 A CA -1.068 50.679 52.037 -0.483 0.000 0.814 299 A CB -0.294 18.321 19.000 -0.641 0.000 1.093 299 A HN 0.656 nan 8.150 nan 0.000 0.498 300 P HA -0.151 nan 4.420 nan 0.000 0.218 300 P C 0.544 177.838 177.300 -0.010 0.000 1.146 300 P CA 1.677 64.781 63.100 0.006 0.000 0.813 300 P CB -0.051 31.665 31.700 0.026 0.000 0.778 301 N N -1.714 116.967 118.700 -0.033 0.000 2.268 301 N HA 0.120 4.860 4.740 0.001 0.000 0.204 301 N C 1.171 176.674 175.510 -0.012 0.000 1.124 301 N CA 0.454 53.492 53.050 -0.019 0.000 0.838 301 N CB -0.756 37.717 38.487 -0.023 0.000 0.994 301 N HN 0.157 nan 8.380 nan 0.000 0.489 302 G N -0.356 108.434 108.800 -0.015 0.000 2.205 302 G HA2 -0.263 3.697 3.960 0.001 0.000 0.261 302 G HA3 -0.263 3.697 3.960 0.001 0.000 0.261 302 G C -0.569 174.359 174.900 0.046 0.000 0.980 302 G CA 0.257 45.371 45.100 0.024 0.000 0.632 302 G HN 0.467 nan 8.290 nan 0.000 0.533 303 D N 0.306 120.686 120.400 -0.032 0.000 2.372 303 D HA 0.353 4.993 4.640 0.001 0.000 0.243 303 D C 0.958 177.184 176.300 -0.122 0.000 1.121 303 D CA -0.303 53.669 54.000 -0.046 0.000 0.898 303 D CB 1.098 41.833 40.800 -0.110 0.000 1.202 303 D HN 0.248 nan 8.370 nan 0.000 0.428 304 L N 2.600 123.778 121.223 -0.075 0.000 2.410 304 L HA 0.052 4.392 4.340 0.001 0.000 0.273 304 L C -0.065 176.736 176.870 -0.116 0.000 1.152 304 L CA -0.398 54.401 54.840 -0.068 0.000 0.855 304 L CB 0.191 42.115 42.059 -0.223 0.000 1.129 304 L HN 0.321 nan 8.230 nan 0.000 0.463 305 Y N 3.806 124.151 120.300 0.075 0.000 2.550 305 Y HA -0.085 4.466 4.550 0.001 0.000 0.343 305 Y C 1.752 177.474 175.900 -0.295 0.000 1.245 305 Y CA 0.133 58.183 58.100 -0.083 0.000 1.462 305 Y CB 0.241 38.653 38.460 -0.080 0.000 1.340 305 Y HN 0.585 nan 8.280 nan 0.000 0.604 306 N N 0.686 119.194 118.700 -0.320 0.000 2.223 306 N HA -0.148 4.592 4.740 0.001 0.000 0.185 306 N C 1.773 176.653 175.510 -1.050 0.000 1.016 306 N CA 1.589 54.115 53.050 -0.873 0.000 0.863 306 N CB -0.192 37.600 38.487 -1.159 0.000 0.983 306 N HN 0.479 nan 8.380 nan 0.000 0.429 307 V N 0.698 120.227 119.914 -0.641 0.000 2.282 307 V HA -0.236 3.885 4.120 0.001 0.000 0.249 307 V C 1.966 177.854 176.094 -0.343 0.000 1.057 307 V CA 1.668 63.723 62.300 -0.407 0.000 1.032 307 V CB -1.115 30.275 31.823 -0.721 0.000 0.645 307 V HN 0.048 nan 8.190 nan 0.000 0.447 308 F N 1.428 121.309 119.950 -0.115 0.000 2.206 308 F HA 0.150 4.678 4.527 0.001 0.000 0.298 308 F C 2.586 178.247 175.800 -0.232 0.000 1.090 308 F CA 0.760 58.669 58.000 -0.151 0.000 1.323 308 F CB -1.396 37.538 39.000 -0.110 0.000 1.028 308 F HN 0.103 nan 8.300 nan 0.000 0.492 309 A N -0.049 122.693 122.820 -0.129 0.000 1.933 309 A HA -0.174 4.146 4.320 0.001 0.000 0.218 309 A C 2.026 179.645 177.584 0.059 0.000 1.175 309 A CA 1.353 53.340 52.037 -0.083 0.000 0.628 309 A CB -1.196 17.758 19.000 -0.077 0.000 0.814 309 A HN 0.484 nan 8.150 nan 0.000 0.444 310 W N -0.422 120.905 121.300 0.045 0.000 2.402 310 W HA -0.001 4.659 4.660 0.001 0.000 0.286 310 W C 2.699 179.212 176.519 -0.010 0.000 1.221 310 W CA 0.717 58.081 57.345 0.031 0.000 1.257 310 W CB -1.112 28.342 29.460 -0.011 0.000 1.120 310 W HN 0.466 nan 8.180 nan 0.000 0.551 311 A N 0.160 123.058 122.820 0.130 0.000 1.969 311 A HA -0.112 4.209 4.320 0.001 0.000 0.218 311 A C 2.144 179.661 177.584 -0.111 0.000 1.169 311 A CA 1.187 53.223 52.037 -0.002 0.000 0.635 311 A CB -0.897 18.075 19.000 -0.047 0.000 0.810 311 A HN 0.220 nan 8.150 nan 0.000 0.445 312 L N -0.654 120.441 121.223 -0.212 0.000 2.156 312 L HA -0.131 4.210 4.340 0.001 0.000 0.208 312 L C 1.891 178.737 176.870 -0.040 0.000 1.095 312 L CA 1.092 55.717 54.840 -0.357 0.000 0.770 312 L CB -0.630 40.798 42.059 -1.051 0.000 0.914 312 L HN 0.292 nan 8.230 nan 0.000 0.439 313 D N -0.022 120.506 120.400 0.214 0.000 2.117 313 D HA -0.143 4.498 4.640 0.001 0.000 0.197 313 D C 2.342 178.770 176.300 0.214 0.000 0.987 313 D CA 1.109 55.334 54.000 0.376 0.000 0.829 313 D CB -0.127 40.912 40.800 0.398 0.000 0.961 313 D HN 0.093 nan 8.370 nan 0.000 0.460 314 V N 1.259 121.253 119.914 0.134 0.000 2.295 314 V HA -0.220 3.901 4.120 0.001 0.000 0.246 314 V C 2.527 178.654 176.094 0.056 0.000 1.049 314 V CA 1.093 63.440 62.300 0.078 0.000 1.024 314 V CB -0.504 31.346 31.823 0.046 0.000 0.648 314 V HN 0.127 nan 8.190 nan 0.000 0.447 315 L N 0.962 122.194 121.223 0.016 0.000 2.012 315 L HA -0.139 4.202 4.340 0.001 0.000 0.210 315 L C 2.459 179.361 176.870 0.054 0.000 1.073 315 L CA 2.448 57.272 54.840 -0.027 0.000 0.748 315 L CB -0.968 40.997 42.059 -0.157 0.000 0.891 315 L HN 0.226 nan 8.230 nan 0.000 0.431 316 A N -0.580 122.359 122.820 0.199 0.000 1.883 316 A HA -0.295 4.026 4.320 0.001 0.000 0.217 316 A C 2.481 180.177 177.584 0.186 0.000 1.186 316 A CA 2.151 54.381 52.037 0.322 0.000 0.624 316 A CB -0.680 18.607 19.000 0.478 0.000 0.822 316 A HN 0.522 nan 8.150 nan 0.000 0.444 317 K N -1.063 119.424 120.400 0.145 0.000 2.097 317 K HA -0.127 4.193 4.320 0.001 0.000 0.205 317 K C 2.244 178.876 176.600 0.054 0.000 1.050 317 K CA 0.986 57.329 56.287 0.093 0.000 0.938 317 K CB -0.069 32.481 32.500 0.084 0.000 0.718 317 K HN 0.250 nan 8.250 nan 0.000 0.442 318 R N 0.558 121.083 120.500 0.041 0.000 2.073 318 R HA -0.039 4.302 4.340 0.001 0.000 0.229 318 R C 2.335 178.626 176.300 -0.015 0.000 1.120 318 R CA 0.997 57.106 56.100 0.014 0.000 0.967 318 R CB -0.593 29.714 30.300 0.011 0.000 0.862 318 R HN 0.294 nan 8.270 nan 0.000 0.436 319 L N -0.018 121.198 121.223 -0.011 0.000 2.023 319 L HA -0.026 4.314 4.340 0.001 0.000 0.205 319 L C 2.802 179.649 176.870 -0.037 0.000 1.073 319 L CA 0.940 55.758 54.840 -0.038 0.000 0.745 319 L CB -0.557 41.485 42.059 -0.029 0.000 0.900 319 L HN 0.136 nan 8.230 nan 0.000 0.435 320 R N 0.750 121.257 120.500 0.011 0.000 2.140 320 R HA -0.228 4.112 4.340 0.001 0.000 0.250 320 R C 2.152 178.407 176.300 -0.074 0.000 1.150 320 R CA 2.212 58.313 56.100 0.001 0.000 0.966 320 R CB -0.218 30.109 30.300 0.045 0.000 0.869 320 R HN 0.480 nan 8.270 nan 0.000 0.445 321 S N -0.720 114.927 115.700 -0.087 0.000 2.603 321 S HA 0.113 4.583 4.470 0.001 0.000 0.220 321 S C 0.796 175.207 174.600 -0.316 0.000 0.967 321 S CA -0.131 57.976 58.200 -0.156 0.000 0.920 321 S CB 0.036 63.203 63.200 -0.055 0.000 0.773 321 S HN 0.173 nan 8.310 nan 0.000 0.529 322 M N 2.656 122.093 119.600 -0.272 0.000 2.250 322 M HA 0.274 4.754 4.480 0.001 0.000 0.344 322 M C -0.177 175.874 176.300 -0.415 0.000 1.150 322 M CA -0.076 55.058 55.300 -0.277 0.000 1.147 322 M CB 0.580 33.071 32.600 -0.182 0.000 1.498 322 M HN 0.196 nan 8.290 nan 0.000 0.461 323 H N 1.987 121.063 119.070 0.011 0.000 2.595 323 H HA 0.363 4.920 4.556 0.001 0.000 0.313 323 H C -1.071 174.177 175.328 -0.133 0.000 1.023 323 H CA -0.489 55.521 56.048 -0.063 0.000 1.218 323 H CB 0.658 30.479 29.762 0.098 0.000 1.403 323 H HN 0.335 nan 8.280 nan 0.000 0.477 324 V N 5.375 125.160 119.914 -0.215 0.000 2.407 324 V HA 0.202 4.323 4.120 0.001 0.000 0.278 324 V C -0.195 175.649 176.094 -0.415 0.000 1.037 324 V CA -0.337 61.867 62.300 -0.160 0.000 0.900 324 V CB 0.276 32.050 31.823 -0.081 0.000 0.983 324 V HN 0.462 nan 8.190 nan 0.000 0.459 325 F N 4.729 124.728 119.950 0.083 0.000 2.467 325 F HA 0.583 5.111 4.527 0.001 0.000 0.336 325 F C 0.006 175.840 175.800 0.058 0.000 1.123 325 F CA -0.866 57.173 58.000 0.065 0.000 0.964 325 F CB 1.578 40.613 39.000 0.059 0.000 1.136 325 F HN 0.189 nan 8.300 nan 0.000 0.447 326 I N 4.743 125.418 120.570 0.175 0.000 2.331 326 I HA 0.260 4.431 4.170 0.001 0.000 0.292 326 I C -0.552 175.620 176.117 0.091 0.000 0.998 326 I CA -0.693 60.679 61.300 0.121 0.000 1.267 326 I CB 1.265 39.314 38.000 0.083 0.000 1.386 326 I HN 0.396 nan 8.210 nan 0.000 0.476 327 L N 6.809 128.068 121.223 0.061 0.000 2.287 327 L HA 0.426 4.766 4.340 0.001 0.000 0.287 327 L C -0.207 176.604 176.870 -0.098 0.000 1.022 327 L CA -0.157 54.636 54.840 -0.078 0.000 0.814 327 L CB 1.085 43.007 42.059 -0.228 0.000 1.217 327 L HN 0.413 nan 8.230 nan 0.000 0.420 328 D N 3.491 123.828 120.400 -0.106 0.000 2.338 328 D HA 0.020 4.661 4.640 0.001 0.000 0.255 328 D C 0.132 176.362 176.300 -0.116 0.000 1.237 328 D CA 0.345 54.318 54.000 -0.045 0.000 0.883 328 D CB 0.497 41.282 40.800 -0.026 0.000 1.087 328 D HN 0.551 nan 8.370 nan 0.000 0.485 329 Y N 1.281 121.563 120.300 -0.031 0.000 2.511 329 Y HA 0.036 4.587 4.550 0.001 0.000 0.279 329 Y C 1.024 176.899 175.900 -0.042 0.000 1.157 329 Y CA -0.146 57.926 58.100 -0.046 0.000 1.300 329 Y CB 0.380 38.790 38.460 -0.083 0.000 1.052 329 Y HN 0.327 nan 8.280 nan 0.000 0.529 330 D N 2.064 122.514 120.400 0.083 0.000 2.600 330 D HA 0.070 4.711 4.640 0.001 0.000 0.226 330 D C -0.173 176.141 176.300 0.022 0.000 1.119 330 D CA 0.285 54.313 54.000 0.047 0.000 1.051 330 D CB -0.569 40.253 40.800 0.036 0.000 1.106 330 D HN 0.549 nan 8.370 nan 0.000 0.491 331 Q N -1.027 118.787 119.800 0.023 0.000 2.894 331 Q HA 0.240 4.580 4.340 0.001 0.000 0.328 331 Q C -1.128 174.880 176.000 0.012 0.000 0.807 331 Q CA -1.061 54.745 55.803 0.006 0.000 0.831 331 Q CB -0.058 28.670 28.738 -0.016 0.000 1.389 331 Q HN 0.105 nan 8.270 nan 0.000 0.489 332 S N -0.882 114.820 115.700 0.002 0.000 2.652 332 S HA 0.442 4.912 4.470 0.001 0.000 0.270 332 S C -2.005 172.597 174.600 0.003 0.000 1.243 332 S CA -0.704 57.499 58.200 0.006 0.000 0.999 332 S CB 1.174 64.374 63.200 0.000 0.000 0.973 332 S HN 0.521 nan 8.310 nan 0.000 0.544 333 P HA -0.153 nan 4.420 nan 0.000 0.216 333 P C 1.635 178.930 177.300 -0.010 0.000 1.157 333 P CA 2.252 65.358 63.100 0.011 0.000 0.880 333 P CB -0.272 31.436 31.700 0.012 0.000 0.791 334 A N -0.291 122.521 122.820 -0.013 0.000 1.865 334 A HA -0.140 4.181 4.320 0.001 0.000 0.217 334 A C 2.544 180.110 177.584 -0.030 0.000 1.191 334 A CA 2.306 54.331 52.037 -0.020 0.000 0.623 334 A CB -1.947 17.044 19.000 -0.016 0.000 0.826 334 A HN 0.282 nan 8.150 nan 0.000 0.444 335 G N -0.862 107.920 108.800 -0.030 0.000 2.476 335 G HA2 -0.314 3.647 3.960 0.001 0.000 0.218 335 G HA3 -0.314 3.647 3.960 0.001 0.000 0.218 335 G C 1.577 176.435 174.900 -0.069 0.000 1.164 335 G CA 1.377 46.451 45.100 -0.042 0.000 0.768 335 G HN 0.550 nan 8.290 nan 0.000 0.560 336 C N -0.260 118.989 119.300 -0.084 0.000 2.419 336 C HA 0.095 4.556 4.460 0.001 0.000 0.281 336 C C 2.750 177.670 174.990 -0.118 0.000 1.336 336 C CA 0.736 59.664 59.018 -0.151 0.000 1.770 336 C CB -0.893 26.750 27.740 -0.161 0.000 1.929 336 C HN 0.544 nan 8.230 nan 0.000 0.509 337 R N 1.049 121.507 120.500 -0.071 0.000 2.062 337 R HA -0.093 4.248 4.340 0.001 0.000 0.229 337 R C 1.670 177.934 176.300 -0.059 0.000 1.128 337 R CA 1.620 57.685 56.100 -0.057 0.000 0.960 337 R CB -0.276 29.999 30.300 -0.041 0.000 0.855 337 R HN 0.429 nan 8.270 nan 0.000 0.432 338 D N 0.667 121.034 120.400 -0.055 0.000 2.084 338 D HA -0.128 4.513 4.640 0.001 0.000 0.194 338 D C 1.809 178.073 176.300 -0.059 0.000 0.990 338 D CA 1.557 55.527 54.000 -0.050 0.000 0.826 338 D CB -0.459 40.317 40.800 -0.041 0.000 0.971 338 D HN 0.345 nan 8.370 nan 0.000 0.453 339 A N 1.165 123.942 122.820 -0.072 0.000 1.884 339 A HA -0.217 4.104 4.320 0.001 0.000 0.219 339 A C 2.220 179.754 177.584 -0.084 0.000 1.197 339 A CA 1.661 53.650 52.037 -0.080 0.000 0.637 339 A CB -1.033 17.898 19.000 -0.113 0.000 0.827 339 A HN 0.262 nan 8.150 nan 0.000 0.450 340 L N -1.160 120.004 121.223 -0.099 0.000 2.013 340 L HA -0.164 4.177 4.340 0.001 0.000 0.212 340 L C 2.254 179.073 176.870 -0.086 0.000 1.073 340 L CA 1.978 56.764 54.840 -0.091 0.000 0.753 340 L CB -0.580 41.430 42.059 -0.081 0.000 0.890 340 L HN 0.310 nan 8.230 nan 0.000 0.432 341 L N -0.817 120.362 121.223 -0.074 0.000 2.093 341 L HA -0.179 4.162 4.340 0.001 0.000 0.208 341 L C 2.589 179.414 176.870 -0.074 0.000 1.085 341 L CA 1.611 56.409 54.840 -0.070 0.000 0.755 341 L CB -0.709 41.317 42.059 -0.055 0.000 0.904 341 L HN 0.426 nan 8.230 nan 0.000 0.435 342 Q N -1.518 118.243 119.800 -0.065 0.000 2.084 342 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 342 Q C 2.086 178.042 176.000 -0.072 0.000 0.978 342 Q CA 1.064 56.833 55.803 -0.056 0.000 0.844 342 Q CB -0.239 28.474 28.738 -0.041 0.000 0.898 342 Q HN 0.279 nan 8.270 nan 0.000 0.426 343 L N 0.813 121.982 121.223 -0.090 0.000 2.187 343 L HA -0.183 4.158 4.340 0.001 0.000 0.213 343 L C 2.623 179.328 176.870 -0.275 0.000 1.100 343 L CA 2.209 56.964 54.840 -0.142 0.000 0.765 343 L CB -1.346 40.639 42.059 -0.124 0.000 0.904 343 L HN 0.435 nan 8.230 nan 0.000 0.437 344 T N -5.250 109.175 114.554 -0.216 0.000 2.881 344 T HA -0.163 4.188 4.350 0.001 0.000 0.270 344 T C 2.036 176.622 174.700 -0.189 0.000 1.068 344 T CA 1.400 63.364 62.100 -0.226 0.000 1.131 344 T CB -0.514 68.268 68.868 -0.144 0.000 0.871 344 T HN 0.243 nan 8.240 nan 0.000 0.479 345 S N 1.310 116.932 115.700 -0.130 0.000 2.419 345 S HA 0.058 4.529 4.470 0.001 0.000 0.235 345 S C 2.006 176.566 174.600 -0.067 0.000 1.019 345 S CA 1.099 59.251 58.200 -0.081 0.000 0.982 345 S CB -0.630 62.542 63.200 -0.047 0.000 0.789 345 S HN 0.820 nan 8.310 nan 0.000 0.490 346 G N -0.001 108.750 108.800 -0.082 0.000 3.393 346 G HA2 0.392 4.353 3.960 0.001 0.000 0.255 346 G HA3 0.392 4.353 3.960 0.001 0.000 0.255 346 G C 0.148 175.053 174.900 0.009 0.000 1.097 346 G CA -0.391 44.726 45.100 0.028 0.000 0.780 346 G HN 0.297 nan 8.290 nan 0.000 0.540 347 M N 0.865 120.325 119.600 -0.234 0.000 2.255 347 M HA 0.311 4.791 4.480 0.001 0.000 0.336 347 M C -0.206 176.044 176.300 -0.083 0.000 1.135 347 M CA -0.402 54.752 55.300 -0.243 0.000 1.145 347 M CB 2.104 34.453 32.600 -0.419 0.000 1.473 347 M HN -0.236 nan 8.290 nan 0.000 0.462 348 V N 2.458 122.337 119.914 -0.060 0.000 2.465 348 V HA 0.200 4.321 4.120 0.001 0.000 0.279 348 V C -0.099 175.973 176.094 -0.036 0.000 1.045 348 V CA -0.569 61.678 62.300 -0.088 0.000 0.938 348 V CB 0.972 32.668 31.823 -0.211 0.000 0.986 348 V HN 0.795 nan 8.190 nan 0.000 0.467 349 Q N 2.205 121.975 119.800 -0.050 0.000 2.248 349 Q HA 0.706 5.047 4.340 0.001 0.000 0.263 349 Q C -0.020 175.941 176.000 -0.064 0.000 1.007 349 Q CA -0.677 55.094 55.803 -0.054 0.000 0.877 349 Q CB 2.261 30.947 28.738 -0.087 0.000 1.315 349 Q HN 0.926 nan 8.270 nan 0.000 0.454 350 T N -2.937 111.582 114.554 -0.057 0.000 2.888 350 T HA 0.430 4.780 4.350 0.001 0.000 0.288 350 T C -0.503 174.127 174.700 -0.116 0.000 1.063 350 T CA -0.859 61.213 62.100 -0.047 0.000 1.010 350 T CB 1.235 70.137 68.868 0.055 0.000 1.214 350 T HN 0.434 nan 8.240 nan 0.000 0.533 351 H N -0.319 118.779 119.070 0.048 0.000 2.496 351 H HA 0.590 5.147 4.556 0.001 0.000 0.342 351 H C 0.144 175.505 175.328 0.054 0.000 1.170 351 H CA -0.335 55.738 56.048 0.043 0.000 1.274 351 H CB 1.858 31.641 29.762 0.035 0.000 1.538 351 H HN 0.709 nan 8.280 nan 0.000 0.542 352 V N -0.220 119.810 119.914 0.194 0.000 2.713 352 V HA 0.222 4.343 4.120 0.001 0.000 0.307 352 V C 1.353 177.516 176.094 0.116 0.000 1.052 352 V CA -0.188 62.200 62.300 0.146 0.000 0.967 352 V CB 1.398 33.304 31.823 0.137 0.000 1.019 352 V HN 0.994 nan 8.190 nan 0.000 0.459 353 T N 0.618 115.223 114.554 0.085 0.000 2.777 353 T HA -0.017 4.334 4.350 0.001 0.000 0.266 353 T C 0.890 175.602 174.700 0.020 0.000 1.040 353 T CA 1.408 63.527 62.100 0.032 0.000 1.141 353 T CB -0.662 68.195 68.868 -0.018 0.000 0.868 353 T HN 1.276 nan 8.240 nan 0.000 0.444 354 T N -1.362 113.213 114.554 0.036 0.000 2.942 354 T HA 0.561 4.911 4.350 0.001 0.000 0.289 354 T C -2.265 172.470 174.700 0.058 0.000 1.044 354 T CA -2.022 60.099 62.100 0.033 0.000 1.023 354 T CB 2.156 71.037 68.868 0.022 0.000 1.123 354 T HN -0.135 nan 8.240 nan 0.000 0.512 355 P HA 0.100 nan 4.420 nan 0.000 0.219 355 P C 1.266 178.594 177.300 0.048 0.000 1.150 355 P CA 0.907 64.031 63.100 0.040 0.000 0.814 355 P CB -0.374 31.341 31.700 0.026 0.000 0.787 356 G N -0.591 108.244 108.800 0.058 0.000 3.383 356 G HA2 0.071 4.031 3.960 0.001 0.000 0.251 356 G HA3 0.071 4.031 3.960 0.001 0.000 0.251 356 G C 1.126 176.084 174.900 0.098 0.000 1.203 356 G CA -0.032 45.105 45.100 0.062 0.000 0.852 356 G HN 0.128 nan 8.290 nan 0.000 0.531 357 S N 0.407 116.185 115.700 0.129 0.000 2.446 357 S HA 0.026 4.497 4.470 0.001 0.000 0.225 357 S C 2.305 176.928 174.600 0.038 0.000 1.016 357 S CA 0.007 58.324 58.200 0.195 0.000 0.943 357 S CB 0.041 63.424 63.200 0.306 0.000 0.786 357 S HN 0.302 nan 8.310 nan 0.000 0.508 358 I N 2.752 123.338 120.570 0.027 0.000 2.113 358 I HA -0.083 4.088 4.170 0.001 0.000 0.238 358 I C -0.633 175.459 176.117 -0.042 0.000 1.070 358 I CA 1.248 62.541 61.300 -0.012 0.000 1.332 358 I CB -2.882 35.117 38.000 -0.003 0.000 1.044 358 I HN 0.168 nan 8.210 nan 0.000 0.402 359 P HA -0.127 nan 4.420 nan 0.000 0.215 359 P C 1.700 178.963 177.300 -0.062 0.000 1.153 359 P CA 1.811 64.888 63.100 -0.039 0.000 0.853 359 P CB -0.372 31.317 31.700 -0.017 0.000 0.788 360 T N 0.778 115.287 114.554 -0.074 0.000 2.684 360 T HA -0.138 4.212 4.350 0.001 0.000 0.267 360 T C 1.990 176.587 174.700 -0.172 0.000 1.036 360 T CA 1.353 63.379 62.100 -0.125 0.000 1.148 360 T CB -0.877 67.873 68.868 -0.197 0.000 0.863 360 T HN 0.093 nan 8.240 nan 0.000 0.436 361 I N 0.730 121.178 120.570 -0.204 0.000 2.142 361 I HA -0.208 3.962 4.170 0.001 0.000 0.240 361 I C 2.803 178.828 176.117 -0.152 0.000 1.078 361 I CA 0.901 62.093 61.300 -0.181 0.000 1.343 361 I CB -0.672 37.235 38.000 -0.155 0.000 1.046 361 I HN 0.330 nan 8.210 nan 0.000 0.405 362 C N 1.038 120.260 119.300 -0.129 0.000 2.393 362 C HA -0.216 4.245 4.460 0.001 0.000 0.276 362 C C 2.531 177.449 174.990 -0.120 0.000 1.215 362 C CA 1.225 60.166 59.018 -0.127 0.000 1.743 362 C CB -1.094 26.587 27.740 -0.097 0.000 2.044 362 C HN 0.545 nan 8.230 nan 0.000 0.464 363 D N 0.502 120.847 120.400 -0.091 0.000 2.123 363 D HA -0.110 4.530 4.640 0.001 0.000 0.196 363 D C 2.043 178.306 176.300 -0.061 0.000 0.992 363 D CA 0.662 54.620 54.000 -0.070 0.000 0.833 363 D CB -0.712 40.059 40.800 -0.049 0.000 0.954 363 D HN 0.276 nan 8.370 nan 0.000 0.455 364 L N 1.313 122.495 121.223 -0.068 0.000 1.971 364 L HA -0.196 4.144 4.340 0.001 0.000 0.215 364 L C 2.201 179.056 176.870 -0.024 0.000 1.072 364 L CA 2.116 56.938 54.840 -0.031 0.000 0.758 364 L CB -1.228 40.800 42.059 -0.051 0.000 0.889 364 L HN -0.002 nan 8.230 nan 0.000 0.433 365 A N 0.069 122.814 122.820 -0.126 0.000 1.883 365 A HA -0.256 4.065 4.320 0.001 0.000 0.217 365 A C 2.305 179.792 177.584 -0.161 0.000 1.186 365 A CA 1.929 53.842 52.037 -0.206 0.000 0.624 365 A CB -0.531 18.279 19.000 -0.318 0.000 0.822 365 A HN 0.551 nan 8.150 nan 0.000 0.444 366 R N -1.018 119.391 120.500 -0.153 0.000 2.073 366 R HA -0.079 4.262 4.340 0.001 0.000 0.234 366 R C 2.319 178.584 176.300 -0.058 0.000 1.134 366 R CA 1.851 57.869 56.100 -0.136 0.000 0.952 366 R CB -0.944 29.287 30.300 -0.116 0.000 0.850 366 R HN 0.536 nan 8.270 nan 0.000 0.433 367 T N 1.196 115.736 114.554 -0.024 0.000 2.746 367 T HA -0.172 4.179 4.350 0.001 0.000 0.267 367 T C 1.430 176.143 174.700 0.021 0.000 1.039 367 T CA 1.321 63.417 62.100 -0.006 0.000 1.142 367 T CB -0.353 68.512 68.868 -0.004 0.000 0.866 367 T HN 0.140 nan 8.240 nan 0.000 0.444 368 F N 2.342 122.236 119.950 -0.094 0.000 2.046 368 F HA -0.043 4.484 4.527 0.001 0.000 0.297 368 F C 2.530 178.279 175.800 -0.084 0.000 1.123 368 F CA 1.119 59.068 58.000 -0.086 0.000 1.199 368 F CB -0.926 38.024 39.000 -0.084 0.000 0.972 368 F HN 0.148 nan 8.300 nan 0.000 0.474 369 A N 0.585 123.555 122.820 0.251 0.000 1.859 369 A HA -0.297 4.024 4.320 0.001 0.000 0.217 369 A C 2.406 180.020 177.584 0.051 0.000 1.198 369 A CA 2.202 54.327 52.037 0.146 0.000 0.629 369 A CB -1.162 17.818 19.000 -0.034 0.000 0.830 369 A HN 0.483 nan 8.150 nan 0.000 0.446 370 R N -0.485 120.017 120.500 0.003 0.000 2.096 370 R HA -0.232 4.109 4.340 0.001 0.000 0.240 370 R C 2.299 178.576 176.300 -0.039 0.000 1.139 370 R CA 2.189 58.280 56.100 -0.015 0.000 0.952 370 R CB -0.285 30.000 30.300 -0.025 0.000 0.854 370 R HN 0.773 nan 8.270 nan 0.000 0.436 371 E N -0.568 119.586 120.200 -0.077 0.000 2.060 371 E HA -0.113 4.238 4.350 0.001 0.000 0.189 371 E C 1.899 178.403 176.600 -0.161 0.000 0.974 371 E CA 0.939 57.270 56.400 -0.115 0.000 0.808 371 E CB 0.109 29.726 29.700 -0.139 0.000 0.768 371 E HN 0.359 nan 8.360 nan 0.000 0.453 372 M N -0.299 119.144 119.600 -0.262 0.000 2.516 372 M HA 0.158 4.639 4.480 0.001 0.000 0.259 372 M C 0.927 177.122 176.300 -0.175 0.000 1.146 372 M CA 0.365 55.478 55.300 -0.311 0.000 1.122 372 M CB 1.099 33.310 32.600 -0.648 0.000 1.341 372 M HN 0.009 nan 8.290 nan 0.000 0.478 373 G N 1.667 110.432 108.800 -0.058 0.000 2.663 373 G HA2 0.400 4.361 3.960 0.001 0.000 0.320 373 G HA3 0.400 4.361 3.960 0.001 0.000 0.320 373 G C -0.562 174.348 174.900 0.016 0.000 0.937 373 G CA -0.211 44.905 45.100 0.028 0.000 1.332 373 G HN 0.296 nan 8.290 nan 0.000 0.461 374 E N 0.000 120.196 120.200 -0.007 0.000 2.725 374 E HA 0.000 4.351 4.350 0.001 0.000 0.291 374 E CA 0.000 56.400 56.400 -0.001 0.000 0.976 374 E CB 0.000 29.712 29.700 0.019 0.000 0.812 374 E HN 0.000 nan 8.360 nan 0.000 0.440