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 1ki6_1_A DATA FIRST_RESID 46 DATA SEQUENCE MPTLLRVYID GPHGMGKTTT TQLLXXXXXX XDIVYVPEPM TYWRVLGASE DATA SEQUENCE TIANIYTTQH RLDQGEISAG DAAVVMTSAQ ITMGMPYAVT DAVLAPHIGG DATA SEQUENCE EAXXXXXXPP ALTLIFDRHP IAALLCYPAA RYLMGSMTPQ AVLAFVALIP DATA SEQUENCE PTLPGTNIVL GALPEDRHID RLAKRQRPGE RLDLAMLAAI RRVYGLLANT DATA SEQUENCE VRYLQCGGSW REDWGQLSXX XXXXXXXXXX XXXXARPHIG 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 0.000 176.359 176.300 0.098 0.000 1.140 46 M CA 0.000 55.317 55.300 0.028 0.000 0.988 46 M CB 0.000 32.630 32.600 0.050 0.000 1.302 47 P HA 0.393 nan 4.420 nan 0.000 0.270 47 P C -0.014 177.360 177.300 0.122 0.000 1.216 47 P CA 0.742 63.894 63.100 0.087 0.000 0.788 47 P CB 0.058 31.789 31.700 0.052 0.000 0.883 48 T N -1.401 113.204 114.554 0.086 0.000 2.945 48 T HA 0.642 4.992 4.350 0.000 0.000 0.286 48 T C -0.447 174.268 174.700 0.025 0.000 1.025 48 T CA -0.841 61.287 62.100 0.047 0.000 1.039 48 T CB 1.346 70.210 68.868 -0.006 0.000 1.068 48 T HN 0.333 nan 8.240 nan 0.000 0.497 49 L N 1.421 122.653 121.223 0.016 0.000 2.401 49 L HA 0.691 5.032 4.340 0.000 0.000 0.266 49 L C -1.529 175.354 176.870 0.021 0.000 0.991 49 L CA -1.138 53.715 54.840 0.022 0.000 0.818 49 L CB 1.997 44.084 42.059 0.046 0.000 1.321 49 L HN 0.798 nan 8.230 nan 0.000 0.413 50 L N 5.119 126.352 121.223 0.018 0.000 2.325 50 L HA 0.599 4.939 4.340 0.000 0.000 0.281 50 L C -0.946 175.958 176.870 0.056 0.000 1.004 50 L CA -0.488 54.368 54.840 0.026 0.000 0.823 50 L CB 1.406 43.462 42.059 -0.006 0.000 1.236 50 L HN 0.792 nan 8.230 nan 0.000 0.415 51 R N 3.675 124.244 120.500 0.116 0.000 2.445 51 R HA 0.687 5.027 4.340 0.000 0.000 0.308 51 R C -1.261 175.129 176.300 0.150 0.000 0.961 51 R CA -0.638 55.563 56.100 0.168 0.000 0.862 51 R CB 2.401 32.864 30.300 0.272 0.000 1.144 51 R HN 0.418 nan 8.270 nan 0.000 0.447 52 V N 4.200 124.178 119.914 0.107 0.000 2.482 52 V HA 0.308 4.428 4.120 0.000 0.000 0.295 52 V C -1.267 174.907 176.094 0.135 0.000 1.026 52 V CA -0.950 61.436 62.300 0.143 0.000 0.856 52 V CB 1.354 33.233 31.823 0.094 0.000 1.001 52 V HN 0.634 nan 8.190 nan 0.000 0.424 53 Y N 4.684 125.123 120.300 0.231 0.000 2.385 53 Y HA 0.576 5.126 4.550 0.000 0.000 0.341 53 Y C 0.064 176.083 175.900 0.199 0.000 0.965 53 Y CA -0.934 57.295 58.100 0.216 0.000 1.180 53 Y CB 1.226 39.762 38.460 0.127 0.000 1.139 53 Y HN 0.473 nan 8.280 nan 0.000 0.502 54 I N 4.336 125.092 120.570 0.309 0.000 2.322 54 I HA 0.130 4.300 4.170 0.000 0.000 0.292 54 I C 0.166 176.419 176.117 0.226 0.000 1.060 54 I CA 0.243 61.698 61.300 0.258 0.000 1.309 54 I CB -0.102 38.046 38.000 0.247 0.000 1.415 54 I HN 0.582 nan 8.210 nan 0.000 0.492 55 D N 3.564 124.078 120.400 0.189 0.000 2.553 55 D HA 0.862 5.502 4.640 0.000 0.000 0.249 55 D C -0.065 176.180 176.300 -0.092 0.000 1.062 55 D CA -0.077 53.997 54.000 0.124 0.000 1.085 55 D CB 2.500 43.445 40.800 0.242 0.000 1.350 55 D HN 0.593 nan 8.370 nan 0.000 0.575 56 G N 0.008 108.515 108.800 -0.488 0.000 2.346 56 G HA2 0.087 4.047 3.960 0.000 0.000 0.294 56 G HA3 0.087 4.047 3.960 0.000 0.000 0.294 56 G C -3.082 171.264 174.900 -0.924 0.000 1.294 56 G CA -0.968 43.489 45.100 -1.072 0.000 0.962 56 G HN 0.337 nan 8.290 nan 0.000 0.508 57 P HA 0.270 nan 4.420 nan 0.000 0.274 57 P C -0.107 177.218 177.300 0.043 0.000 1.231 57 P CA -0.350 62.678 63.100 -0.119 0.000 0.790 57 P CB 0.251 31.949 31.700 -0.004 0.000 0.951 58 H N 0.299 119.488 119.070 0.198 0.000 2.745 58 H HA 0.272 4.828 4.556 0.000 0.000 0.373 58 H C 1.152 176.635 175.328 0.258 0.000 1.226 58 H CA -0.030 56.141 56.048 0.204 0.000 1.435 58 H CB -0.607 29.323 29.762 0.279 0.000 1.461 58 H HN 0.785 nan 8.280 nan 0.000 0.616 59 G N 0.939 109.881 108.800 0.236 0.000 2.137 59 G HA2 -0.254 3.707 3.960 0.000 0.000 0.237 59 G HA3 -0.254 3.707 3.960 0.000 0.000 0.237 59 G C 0.628 175.539 174.900 0.019 0.000 1.002 59 G CA 0.474 45.691 45.100 0.195 0.000 0.702 59 G HN 0.601 nan 8.290 nan 0.000 0.515 60 M N -0.813 118.656 119.600 -0.217 0.000 2.421 60 M HA 0.343 4.823 4.480 0.000 0.000 0.258 60 M C 1.867 177.972 176.300 -0.325 0.000 1.122 60 M CA 1.205 56.224 55.300 -0.469 0.000 1.078 60 M CB 0.770 32.883 32.600 -0.812 0.000 1.380 60 M HN 1.193 nan 8.290 nan 0.000 0.499 61 G N 1.055 109.745 108.800 -0.185 0.000 2.154 61 G HA2 -0.191 3.769 3.960 0.000 0.000 0.186 61 G HA3 -0.191 3.769 3.960 0.000 0.000 0.186 61 G C 0.745 175.679 174.900 0.058 0.000 1.000 61 G CA 0.197 45.297 45.100 0.001 0.000 0.664 61 G HN 0.326 nan 8.290 nan 0.000 0.513 62 K N 0.179 120.505 120.400 -0.123 0.000 2.020 62 K HA -0.161 4.159 4.320 0.000 0.000 0.212 62 K C 2.966 179.661 176.600 0.158 0.000 1.050 62 K CA 2.394 58.697 56.287 0.026 0.000 0.929 62 K CB -0.436 32.029 32.500 -0.058 0.000 0.714 62 K HN 0.615 nan 8.250 nan 0.000 0.443 63 T N -1.110 113.528 114.554 0.140 0.000 2.720 63 T HA -0.165 4.185 4.350 0.000 0.000 0.268 63 T C 2.070 176.838 174.700 0.114 0.000 1.037 63 T CA 1.988 64.196 62.100 0.180 0.000 1.144 63 T CB -0.800 68.174 68.868 0.177 0.000 0.864 63 T HN 0.083 nan 8.240 nan 0.000 0.444 64 T N 2.628 117.238 114.554 0.093 0.000 2.595 64 T HA -0.154 4.196 4.350 0.000 0.000 0.264 64 T C 2.437 177.155 174.700 0.029 0.000 1.058 64 T CA 2.698 64.830 62.100 0.053 0.000 1.166 64 T CB -1.238 67.668 68.868 0.063 0.000 0.863 64 T HN 0.844 nan 8.240 nan 0.000 0.415 65 T N 1.131 115.740 114.554 0.092 0.000 2.822 65 T HA -0.180 4.170 4.350 0.000 0.000 0.270 65 T C 2.100 176.797 174.700 -0.005 0.000 1.064 65 T CA 1.983 64.114 62.100 0.051 0.000 1.131 65 T CB -1.055 67.867 68.868 0.091 0.000 0.858 65 T HN 0.612 nan 8.240 nan 0.000 0.483 66 T N -0.272 114.281 114.554 -0.003 0.000 2.942 66 T HA -0.039 4.312 4.350 0.000 0.000 0.265 66 T C 2.077 176.568 174.700 -0.349 0.000 1.062 66 T CA 0.550 62.596 62.100 -0.090 0.000 1.139 66 T CB -0.348 68.566 68.868 0.077 0.000 0.883 66 T HN 0.422 nan 8.240 nan 0.000 0.468 67 Q N 1.218 120.792 119.800 -0.378 0.000 2.050 67 Q HA 0.041 4.381 4.340 0.000 0.000 0.202 67 Q C 2.491 178.342 176.000 -0.248 0.000 0.980 67 Q CA 1.151 56.699 55.803 -0.426 0.000 0.840 67 Q CB -0.628 27.974 28.738 -0.227 0.000 0.898 67 Q HN 0.506 nan 8.270 nan 0.000 0.424 68 L N 0.680 121.813 121.223 -0.150 0.000 2.349 68 L HA -0.106 4.234 4.340 0.000 0.000 0.220 68 L C 1.498 178.309 176.870 -0.098 0.000 1.130 68 L CA 0.405 55.186 54.840 -0.099 0.000 0.791 68 L CB -0.364 41.658 42.059 -0.063 0.000 0.918 68 L HN 0.147 nan 8.230 nan 0.000 0.444 78 I N 0.891 121.438 120.570 -0.039 0.000 2.610 78 I HA 0.620 4.790 4.170 0.000 0.000 0.289 78 I C -1.714 174.377 176.117 -0.044 0.000 1.163 78 I CA -0.853 60.420 61.300 -0.045 0.000 1.044 78 I CB 1.686 39.662 38.000 -0.040 0.000 1.251 78 I HN -0.107 nan 8.210 nan 0.000 0.424 79 V N 6.604 126.477 119.914 -0.067 0.000 2.960 79 V HA 0.470 4.590 4.120 0.000 0.000 0.315 79 V C -1.353 174.709 176.094 -0.054 0.000 1.087 79 V CA -0.788 61.473 62.300 -0.065 0.000 0.982 79 V CB 2.027 33.779 31.823 -0.117 0.000 1.039 79 V HN 0.612 nan 8.190 nan 0.000 0.437 80 Y N 1.945 122.135 120.300 -0.183 0.000 2.331 80 Y HA 0.684 5.234 4.550 0.000 0.000 0.334 80 Y C -0.585 175.177 175.900 -0.231 0.000 0.960 80 Y CA -1.228 56.757 58.100 -0.192 0.000 1.130 80 Y CB 1.876 40.275 38.460 -0.102 0.000 1.164 80 Y HN 0.346 nan 8.280 nan 0.000 0.458 81 V N 9.774 129.226 119.914 -0.771 0.000 2.277 81 V HA 0.324 4.444 4.120 0.000 0.000 0.269 81 V C -1.973 173.614 176.094 -0.847 0.000 1.036 81 V CA -1.635 60.184 62.300 -0.802 0.000 0.821 81 V CB 0.371 31.640 31.823 -0.923 0.000 1.052 81 V HN 0.677 nan 8.190 nan 0.000 0.462 82 P HA 0.085 nan 4.420 nan 0.000 0.288 82 P C -0.164 177.066 177.300 -0.118 0.000 1.291 82 P CA -0.395 62.362 63.100 -0.571 0.000 0.766 82 P CB 1.016 32.542 31.700 -0.290 0.000 1.242 83 E N 0.382 120.555 120.200 -0.045 0.000 2.290 83 E HA 0.116 4.466 4.350 0.000 0.000 0.277 83 E C -1.754 174.650 176.600 -0.327 0.000 1.035 83 E CA -1.934 54.404 56.400 -0.104 0.000 0.873 83 E CB 0.144 29.811 29.700 -0.054 0.000 1.029 83 E HN 0.182 nan 8.360 nan 0.000 0.419 84 P HA -0.041 nan 4.420 nan 0.000 0.285 84 P C 0.502 177.169 177.300 -1.054 0.000 1.521 84 P CA 0.125 62.752 63.100 -0.789 0.000 0.792 84 P CB -0.100 31.107 31.700 -0.822 0.000 1.613 85 M N 0.047 119.167 119.600 -0.800 0.000 2.103 85 M HA -0.217 4.263 4.480 0.000 0.000 0.255 85 M C 1.551 177.733 176.300 -0.196 0.000 1.074 85 M CA 2.227 57.270 55.300 -0.428 0.000 1.090 85 M CB -1.446 31.051 32.600 -0.172 0.000 1.325 85 M HN -0.060 nan 8.290 nan 0.000 0.403 86 T N -1.343 113.097 114.554 -0.190 0.000 2.915 86 T HA -0.160 4.190 4.350 0.000 0.000 0.269 86 T C 1.481 176.118 174.700 -0.105 0.000 1.071 86 T CA 1.445 63.477 62.100 -0.114 0.000 1.132 86 T CB -0.564 68.236 68.868 -0.114 0.000 0.878 86 T HN 0.532 nan 8.240 nan 0.000 0.479 87 Y N 0.173 120.332 120.300 -0.235 0.000 2.314 87 Y HA -0.048 4.502 4.550 0.000 0.000 0.293 87 Y C 1.796 177.734 175.900 0.062 0.000 1.129 87 Y CA 0.784 58.798 58.100 -0.143 0.000 1.201 87 Y CB -0.130 38.185 38.460 -0.242 0.000 0.999 87 Y HN 0.173 nan 8.280 nan 0.000 0.541 88 W N 0.541 121.850 121.300 0.016 0.000 2.418 88 W HA -0.010 4.650 4.660 0.000 0.000 0.292 88 W C 2.125 178.605 176.519 -0.065 0.000 1.213 88 W CA 0.779 58.121 57.345 -0.005 0.000 1.283 88 W CB -0.707 28.771 29.460 0.030 0.000 1.119 88 W HN 0.053 nan 8.180 nan 0.000 0.542 89 R N -0.640 119.954 120.500 0.158 0.000 2.173 89 R HA 0.070 4.410 4.340 0.000 0.000 0.208 89 R C 1.484 177.775 176.300 -0.016 0.000 1.035 89 R CA 1.128 57.266 56.100 0.065 0.000 1.004 89 R CB -0.209 30.124 30.300 0.055 0.000 0.917 89 R HN 0.160 nan 8.270 nan 0.000 0.462 90 V N -0.257 119.611 119.914 -0.076 0.000 3.442 90 V HA 0.007 4.127 4.120 0.000 0.000 0.205 90 V C 2.103 178.076 176.094 -0.201 0.000 1.320 90 V CA -0.005 62.228 62.300 -0.112 0.000 1.306 90 V CB -0.478 31.294 31.823 -0.085 0.000 1.267 90 V HN -0.025 nan 8.190 nan 0.000 0.538 91 L N 1.436 122.488 121.223 -0.285 0.000 2.042 91 L HA -0.067 4.273 4.340 0.000 0.000 0.210 91 L C 2.466 178.987 176.870 -0.581 0.000 1.076 91 L CA 2.277 56.897 54.840 -0.366 0.000 0.749 91 L CB -1.018 40.870 42.059 -0.284 0.000 0.893 91 L HN 0.551 nan 8.230 nan 0.000 0.432 92 G N -1.213 106.927 108.800 -1.099 0.000 2.459 92 G HA2 0.413 4.373 3.960 0.000 0.000 0.213 92 G HA3 0.413 4.373 3.960 0.000 0.000 0.213 92 G C 0.415 175.131 174.900 -0.307 0.000 1.155 92 G CA 0.716 45.274 45.100 -0.903 0.000 0.811 92 G HN 0.502 nan 8.290 nan 0.000 0.534 93 A N -1.173 121.500 122.820 -0.244 0.000 2.511 93 A HA 0.650 4.970 4.320 0.000 0.000 0.293 93 A C -0.823 176.713 177.584 -0.079 0.000 1.098 93 A CA 0.039 52.013 52.037 -0.105 0.000 0.643 93 A CB 0.322 19.293 19.000 -0.049 0.000 1.302 93 A HN 0.562 nan 8.150 nan 0.000 0.446 94 S N 1.061 116.737 115.700 -0.040 0.000 2.430 94 S HA 0.464 4.934 4.470 0.000 0.000 0.289 94 S C -0.306 174.294 174.600 -0.000 0.000 1.143 94 S CA 0.069 58.255 58.200 -0.023 0.000 1.067 94 S CB -0.251 62.938 63.200 -0.018 0.000 0.964 94 S HN 0.717 nan 8.310 nan 0.000 0.485 95 E N 3.210 123.419 120.200 0.015 0.000 2.197 95 E HA -0.157 4.194 4.350 0.000 0.000 0.184 95 E C 0.764 177.387 176.600 0.039 0.000 1.439 95 E CA 0.953 57.375 56.400 0.037 0.000 0.688 95 E CB -2.278 27.439 29.700 0.028 0.000 1.090 95 E HN 0.799 nan 8.360 nan 0.000 0.341 96 T N -0.093 114.488 114.554 0.044 0.000 2.788 96 T HA -0.081 4.269 4.350 0.000 0.000 0.268 96 T C 2.059 176.751 174.700 -0.013 0.000 1.044 96 T CA 1.189 63.289 62.100 -0.000 0.000 1.139 96 T CB 0.033 68.880 68.868 -0.035 0.000 0.867 96 T HN 0.376 nan 8.240 nan 0.000 0.454 97 I N 1.512 122.096 120.570 0.024 0.000 2.208 97 I HA -0.223 3.947 4.170 0.000 0.000 0.245 97 I C 2.965 179.184 176.117 0.170 0.000 1.097 97 I CA 1.208 62.553 61.300 0.074 0.000 1.363 97 I CB -0.540 37.530 38.000 0.117 0.000 1.051 97 I HN 0.222 nan 8.210 nan 0.000 0.413 98 A N 0.855 123.738 122.820 0.105 0.000 1.902 98 A HA -0.262 4.058 4.320 0.000 0.000 0.217 98 A C 2.079 179.719 177.584 0.094 0.000 1.181 98 A CA 2.222 54.316 52.037 0.096 0.000 0.623 98 A CB -0.791 18.238 19.000 0.049 0.000 0.818 98 A HN 0.450 nan 8.150 nan 0.000 0.443 99 N N 0.244 118.977 118.700 0.056 0.000 2.104 99 N HA -0.123 4.618 4.740 0.000 0.000 0.190 99 N C 1.495 177.018 175.510 0.022 0.000 1.024 99 N CA 1.862 54.931 53.050 0.032 0.000 0.853 99 N CB -0.393 38.100 38.487 0.011 0.000 1.008 99 N HN 0.539 nan 8.380 nan 0.000 0.424 100 I N -0.643 119.924 120.570 -0.004 0.000 2.113 100 I HA -0.318 3.852 4.170 0.000 0.000 0.238 100 I C 1.536 177.588 176.117 -0.108 0.000 1.070 100 I CA 1.288 62.527 61.300 -0.102 0.000 1.332 100 I CB -0.433 37.433 38.000 -0.222 0.000 1.044 100 I HN 0.176 nan 8.210 nan 0.000 0.402 101 Y N 0.555 120.851 120.300 -0.006 0.000 2.352 101 Y HA -0.197 4.353 4.550 0.000 0.000 0.292 101 Y C 2.783 178.707 175.900 0.041 0.000 1.136 101 Y CA 1.389 59.499 58.100 0.017 0.000 1.227 101 Y CB -0.860 37.604 38.460 0.006 0.000 0.991 101 Y HN 0.145 nan 8.280 nan 0.000 0.545 102 T N -1.163 113.486 114.554 0.158 0.000 2.812 102 T HA -0.141 4.209 4.350 0.000 0.000 0.264 102 T C 1.941 176.720 174.700 0.132 0.000 1.042 102 T CA 1.849 64.025 62.100 0.127 0.000 1.140 102 T CB -0.457 68.459 68.868 0.080 0.000 0.870 102 T HN 0.343 nan 8.240 nan 0.000 0.445 103 T N 1.858 116.457 114.554 0.075 0.000 2.684 103 T HA -0.177 4.173 4.350 0.000 0.000 0.267 103 T C 2.092 176.820 174.700 0.047 0.000 1.036 103 T CA 1.522 63.650 62.100 0.047 0.000 1.148 103 T CB -0.360 68.517 68.868 0.015 0.000 0.863 103 T HN 0.254 nan 8.240 nan 0.000 0.436 104 Q N 0.360 120.183 119.800 0.038 0.000 2.084 104 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 104 Q C 1.982 178.028 176.000 0.076 0.000 0.978 104 Q CA 1.979 57.800 55.803 0.030 0.000 0.844 104 Q CB -0.506 28.234 28.738 0.003 0.000 0.898 104 Q HN 0.750 nan 8.270 nan 0.000 0.426 105 H N -0.313 118.777 119.070 0.033 0.000 2.290 105 H HA -0.085 4.471 4.556 0.000 0.000 0.298 105 H C 1.717 177.057 175.328 0.020 0.000 1.087 105 H CA 2.122 58.191 56.048 0.035 0.000 1.291 105 H CB 0.150 29.941 29.762 0.049 0.000 1.369 105 H HN 0.081 nan 8.280 nan 0.000 0.492 106 R N 0.695 121.241 120.500 0.078 0.000 2.097 106 R HA -0.142 4.198 4.340 0.000 0.000 0.236 106 R C 2.597 178.869 176.300 -0.047 0.000 1.135 106 R CA 1.316 57.418 56.100 0.003 0.000 0.934 106 R CB -1.455 28.873 30.300 0.046 0.000 0.846 106 R HN 0.424 nan 8.270 nan 0.000 0.431 107 L N 1.612 122.822 121.223 -0.021 0.000 1.997 107 L HA -0.252 4.088 4.340 0.000 0.000 0.216 107 L C 1.328 178.163 176.870 -0.058 0.000 1.074 107 L CA 2.211 57.032 54.840 -0.031 0.000 0.763 107 L CB -0.760 41.288 42.059 -0.018 0.000 0.890 107 L HN 0.164 nan 8.230 nan 0.000 0.434 108 D N -0.439 119.916 120.400 -0.074 0.000 2.190 108 D HA -0.229 4.411 4.640 0.000 0.000 0.200 108 D C 2.214 178.439 176.300 -0.125 0.000 0.992 108 D CA 1.078 55.022 54.000 -0.092 0.000 0.854 108 D CB -0.044 40.700 40.800 -0.094 0.000 0.936 108 D HN 0.354 nan 8.370 nan 0.000 0.462 109 Q N -0.736 118.955 119.800 -0.183 0.000 2.378 109 Q HA 0.161 4.501 4.340 0.000 0.000 0.205 109 Q C 1.404 177.348 176.000 -0.093 0.000 0.954 109 Q CA 0.901 56.599 55.803 -0.175 0.000 0.901 109 Q CB 0.017 28.602 28.738 -0.254 0.000 0.981 109 Q HN 0.357 nan 8.270 nan 0.000 0.483 110 G N 0.147 108.904 108.800 -0.071 0.000 2.143 110 G HA2 -0.328 3.632 3.960 0.000 0.000 0.249 110 G HA3 -0.328 3.632 3.960 0.000 0.000 0.249 110 G C 0.566 175.448 174.900 -0.031 0.000 0.981 110 G CA 0.552 45.626 45.100 -0.043 0.000 0.665 110 G HN 0.463 nan 8.290 nan 0.000 0.528 111 E N -0.386 119.794 120.200 -0.032 0.000 2.427 111 E HA 0.266 4.616 4.350 0.000 0.000 0.196 111 E C 1.485 178.082 176.600 -0.005 0.000 1.028 111 E CA 1.024 57.416 56.400 -0.014 0.000 0.864 111 E CB 0.172 29.868 29.700 -0.006 0.000 0.813 111 E HN 0.914 nan 8.360 nan 0.000 0.514 112 I N -3.337 117.229 120.570 -0.008 0.000 3.191 112 I HA 0.451 4.621 4.170 0.000 0.000 0.313 112 I C -0.384 175.730 176.117 -0.005 0.000 1.193 112 I CA -1.276 60.024 61.300 -0.001 0.000 0.968 112 I CB 2.126 40.130 38.000 0.006 0.000 1.262 112 I HN -0.214 nan 8.210 nan 0.000 0.456 113 S N 1.990 117.690 115.700 -0.000 0.000 2.687 113 S HA 0.688 5.158 4.470 0.000 0.000 0.283 113 S C 1.047 175.648 174.600 0.002 0.000 1.170 113 S CA -0.097 58.103 58.200 -0.001 0.000 1.008 113 S CB 1.691 64.892 63.200 0.003 0.000 1.026 113 S HN 1.084 nan 8.310 nan 0.000 0.541 114 A N 1.628 124.449 122.820 0.001 0.000 1.940 114 A HA 0.097 4.417 4.320 0.000 0.000 0.219 114 A C 2.106 179.699 177.584 0.015 0.000 1.176 114 A CA 1.870 53.910 52.037 0.005 0.000 0.631 114 A CB -1.765 17.238 19.000 0.005 0.000 0.814 114 A HN 1.213 nan 8.150 nan 0.000 0.446 115 G N -0.731 108.079 108.800 0.016 0.000 2.443 115 G HA2 -0.141 3.819 3.960 0.000 0.000 0.219 115 G HA3 -0.141 3.819 3.960 0.000 0.000 0.219 115 G C 1.081 175.993 174.900 0.020 0.000 1.131 115 G CA 1.143 46.255 45.100 0.020 0.000 0.775 115 G HN 0.466 nan 8.290 nan 0.000 0.547 116 D N 0.943 121.353 120.400 0.016 0.000 2.120 116 D HA 0.075 4.715 4.640 0.000 0.000 0.202 116 D C 2.836 179.147 176.300 0.019 0.000 0.972 116 D CA 1.047 55.057 54.000 0.016 0.000 0.837 116 D CB -0.513 40.295 40.800 0.013 0.000 0.989 116 D HN 0.240 nan 8.370 nan 0.000 0.469 117 A N 1.478 124.307 122.820 0.016 0.000 1.859 117 A HA -0.174 4.146 4.320 0.000 0.000 0.217 117 A C 2.352 179.951 177.584 0.025 0.000 1.198 117 A CA 2.893 54.939 52.037 0.016 0.000 0.629 117 A CB -1.131 17.874 19.000 0.009 0.000 0.830 117 A HN 0.235 nan 8.150 nan 0.000 0.446 118 A N -0.899 121.941 122.820 0.033 0.000 1.927 118 A HA -0.113 4.207 4.320 0.000 0.000 0.220 118 A C 2.249 179.865 177.584 0.052 0.000 1.185 118 A CA 2.147 54.214 52.037 0.049 0.000 0.639 118 A CB -1.107 17.923 19.000 0.051 0.000 0.820 118 A HN 0.529 nan 8.150 nan 0.000 0.451 119 V N -0.633 119.305 119.914 0.040 0.000 2.515 119 V HA -0.189 3.931 4.120 0.000 0.000 0.250 119 V C 2.473 178.592 176.094 0.042 0.000 1.058 119 V CA 1.888 64.211 62.300 0.038 0.000 1.064 119 V CB -0.313 31.527 31.823 0.028 0.000 0.675 119 V HN 0.408 nan 8.190 nan 0.000 0.461 120 V N -1.438 118.497 119.914 0.035 0.000 2.446 120 V HA -0.141 3.979 4.120 0.000 0.000 0.244 120 V C 2.225 178.338 176.094 0.030 0.000 1.039 120 V CA 1.531 63.849 62.300 0.029 0.000 1.045 120 V CB -0.423 31.412 31.823 0.020 0.000 0.681 120 V HN 0.442 nan 8.190 nan 0.000 0.459 121 M N 0.413 120.033 119.600 0.033 0.000 2.175 121 M HA -0.119 4.361 4.480 0.000 0.000 0.264 121 M C 2.105 178.452 176.300 0.078 0.000 1.063 121 M CA 1.905 57.222 55.300 0.030 0.000 1.119 121 M CB -0.872 31.745 32.600 0.029 0.000 1.377 121 M HN 0.347 nan 8.290 nan 0.000 0.415 122 T N -1.272 113.358 114.554 0.126 0.000 2.821 122 T HA -0.094 4.256 4.350 0.000 0.000 0.267 122 T C 2.003 176.842 174.700 0.232 0.000 1.046 122 T CA 1.631 63.873 62.100 0.237 0.000 1.139 122 T CB -0.346 68.627 68.868 0.175 0.000 0.871 122 T HN 0.454 nan 8.240 nan 0.000 0.454 123 S N 0.896 116.673 115.700 0.129 0.000 2.371 123 S HA 0.022 4.492 4.470 0.000 0.000 0.224 123 S C 2.404 177.050 174.600 0.077 0.000 1.029 123 S CA 1.133 59.396 58.200 0.104 0.000 0.978 123 S CB -0.474 62.765 63.200 0.066 0.000 0.833 123 S HN 0.492 nan 8.310 nan 0.000 0.466 124 A N 1.229 124.070 122.820 0.036 0.000 1.902 124 A HA -0.074 4.246 4.320 0.000 0.000 0.217 124 A C 2.167 179.717 177.584 -0.057 0.000 1.181 124 A CA 1.394 53.420 52.037 -0.018 0.000 0.623 124 A CB -0.751 18.218 19.000 -0.052 0.000 0.818 124 A HN 0.539 nan 8.150 nan 0.000 0.443 125 Q N -0.429 119.334 119.800 -0.062 0.000 2.291 125 Q HA -0.097 4.244 4.340 0.000 0.000 0.206 125 Q C 1.984 177.883 176.000 -0.168 0.000 0.976 125 Q CA 0.720 56.417 55.803 -0.177 0.000 0.875 125 Q CB -0.361 28.204 28.738 -0.288 0.000 0.927 125 Q HN 0.660 nan 8.270 nan 0.000 0.450 126 I N 0.206 120.779 120.570 0.005 0.000 2.233 126 I HA -0.196 3.974 4.170 0.000 0.000 0.243 126 I C 1.906 178.074 176.117 0.086 0.000 1.093 126 I CA 1.297 62.653 61.300 0.094 0.000 1.380 126 I CB -1.163 36.947 38.000 0.183 0.000 1.067 126 I HN 0.156 nan 8.210 nan 0.000 0.413 127 T N 1.318 115.931 114.554 0.098 0.000 2.720 127 T HA -0.165 4.185 4.350 0.000 0.000 0.268 127 T C 1.929 176.754 174.700 0.208 0.000 1.037 127 T CA 1.213 63.429 62.100 0.194 0.000 1.144 127 T CB -0.121 68.827 68.868 0.134 0.000 0.864 127 T HN 0.157 nan 8.240 nan 0.000 0.444 128 M N 0.889 120.486 119.600 -0.004 0.000 2.296 128 M HA 0.073 4.553 4.480 0.000 0.000 0.265 128 M C 2.554 178.964 176.300 0.183 0.000 1.064 128 M CA 1.185 56.417 55.300 -0.112 0.000 1.109 128 M CB -1.249 31.100 32.600 -0.420 0.000 1.396 128 M HN 0.393 nan 8.290 nan 0.000 0.430 129 G N -0.997 107.877 108.800 0.123 0.000 2.887 129 G HA2 -0.019 3.941 3.960 0.000 0.000 0.211 129 G HA3 -0.019 3.941 3.960 0.000 0.000 0.211 129 G C 1.513 176.486 174.900 0.121 0.000 1.152 129 G CA -0.120 45.120 45.100 0.233 0.000 0.769 129 G HN 0.192 nan 8.290 nan 0.000 0.541 130 M N 1.411 121.016 119.600 0.009 0.000 2.082 130 M HA -0.039 4.441 4.480 0.000 0.000 0.258 130 M C -0.681 175.487 176.300 -0.219 0.000 1.069 130 M CA 1.629 56.866 55.300 -0.105 0.000 1.102 130 M CB -1.111 31.403 32.600 -0.144 0.000 1.336 130 M HN 0.037 nan 8.290 nan 0.000 0.404 131 P HA -0.121 nan 4.420 nan 0.000 0.218 131 P C 0.902 178.198 177.300 -0.007 0.000 1.149 131 P CA 1.268 64.180 63.100 -0.314 0.000 0.817 131 P CB -0.323 31.082 31.700 -0.491 0.000 0.785 132 Y N -0.209 120.158 120.300 0.112 0.000 2.242 132 Y HA -0.030 4.521 4.550 0.000 0.000 0.291 132 Y C 2.560 178.463 175.900 0.004 0.000 1.137 132 Y CA 0.817 58.957 58.100 0.066 0.000 1.181 132 Y CB -1.627 36.851 38.460 0.030 0.000 0.989 132 Y HN -0.096 nan 8.280 nan 0.000 0.527 133 A N 0.070 122.974 122.820 0.140 0.000 1.872 133 A HA -0.113 4.207 4.320 0.000 0.000 0.214 133 A C 2.346 179.967 177.584 0.061 0.000 1.187 133 A CA 2.089 54.170 52.037 0.073 0.000 0.614 133 A CB -1.323 17.714 19.000 0.063 0.000 0.826 133 A HN 0.282 nan 8.150 nan 0.000 0.442 134 V N -2.438 117.506 119.914 0.050 0.000 2.358 134 V HA -0.180 3.940 4.120 0.000 0.000 0.246 134 V C 2.255 178.407 176.094 0.095 0.000 1.047 134 V CA 2.536 64.870 62.300 0.056 0.000 1.035 134 V CB -1.999 29.841 31.823 0.027 0.000 0.658 134 V HN 0.404 nan 8.190 nan 0.000 0.452 135 T N 0.604 115.241 114.554 0.138 0.000 2.720 135 T HA -0.250 4.100 4.350 0.000 0.000 0.268 135 T C 1.665 176.454 174.700 0.149 0.000 1.037 135 T CA 2.385 64.588 62.100 0.172 0.000 1.144 135 T CB -0.511 68.477 68.868 0.200 0.000 0.864 135 T HN 0.778 nan 8.240 nan 0.000 0.444 136 D N 0.562 121.025 120.400 0.105 0.000 2.149 136 D HA 0.048 4.688 4.640 0.000 0.000 0.201 136 D C 2.176 178.525 176.300 0.082 0.000 0.972 136 D CA 0.933 54.977 54.000 0.073 0.000 0.835 136 D CB -0.178 40.617 40.800 -0.009 0.000 0.966 136 D HN 0.347 nan 8.370 nan 0.000 0.476 137 A N -0.248 122.615 122.820 0.073 0.000 1.929 137 A HA -0.036 4.284 4.320 0.000 0.000 0.216 137 A C 2.298 179.930 177.584 0.080 0.000 1.176 137 A CA 0.994 53.070 52.037 0.065 0.000 0.628 137 A CB -0.498 18.534 19.000 0.053 0.000 0.816 137 A HN 0.229 nan 8.150 nan 0.000 0.444 138 V N -0.713 119.262 119.914 0.102 0.000 2.871 138 V HA -0.100 4.020 4.120 0.000 0.000 0.256 138 V C 2.297 178.506 176.094 0.191 0.000 1.082 138 V CA 1.450 63.825 62.300 0.126 0.000 1.105 138 V CB -0.141 31.756 31.823 0.123 0.000 0.713 138 V HN 0.502 nan 8.190 nan 0.000 0.473 139 L N 0.341 121.678 121.223 0.190 0.000 2.168 139 L HA 0.225 4.565 4.340 0.000 0.000 0.203 139 L C 2.534 179.536 176.870 0.220 0.000 1.078 139 L CA 1.836 56.821 54.840 0.242 0.000 0.780 139 L CB -0.904 41.289 42.059 0.223 0.000 0.939 139 L HN 0.214 nan 8.230 nan 0.000 0.451 140 A N 0.952 123.859 122.820 0.144 0.000 1.954 140 A HA -0.215 4.105 4.320 0.000 0.000 0.222 140 A C -0.163 177.464 177.584 0.072 0.000 1.199 140 A CA 2.444 54.543 52.037 0.103 0.000 0.657 140 A CB -2.225 16.817 19.000 0.070 0.000 0.823 140 A HN 0.496 nan 8.150 nan 0.000 0.463 141 P HA -0.068 nan 4.420 nan 0.000 0.231 141 P C 0.451 177.692 177.300 -0.097 0.000 1.168 141 P CA 1.265 64.323 63.100 -0.069 0.000 0.779 141 P CB -0.307 31.302 31.700 -0.152 0.000 0.844 142 H N -0.815 118.294 119.070 0.064 0.000 2.548 142 H HA 0.118 4.674 4.556 0.000 0.000 0.268 142 H C 0.836 176.210 175.328 0.077 0.000 0.975 142 H CA -0.109 55.978 56.048 0.065 0.000 1.195 142 H CB -0.012 29.789 29.762 0.065 0.000 1.397 142 H HN 0.035 nan 8.280 nan 0.000 0.572 143 I N 1.885 122.567 120.570 0.185 0.000 2.352 143 I HA 0.166 4.336 4.170 0.000 0.000 0.290 143 I C 1.246 177.439 176.117 0.126 0.000 1.036 143 I CA 0.149 61.541 61.300 0.154 0.000 1.336 143 I CB 0.576 38.663 38.000 0.146 0.000 1.407 143 I HN 0.154 nan 8.210 nan 0.000 0.497 144 G N 4.312 113.195 108.800 0.139 0.000 2.568 144 G HA2 0.598 4.558 3.960 0.000 0.000 0.293 144 G HA3 0.598 4.558 3.960 0.000 0.000 0.293 144 G C 0.203 175.188 174.900 0.142 0.000 1.347 144 G CA -0.602 44.585 45.100 0.145 0.000 1.039 144 G HN 0.713 nan 8.290 nan 0.000 0.523 145 G N -1.161 107.742 108.800 0.171 0.000 2.636 145 G HA2 0.383 4.343 3.960 0.000 0.000 0.246 145 G HA3 0.383 4.343 3.960 0.000 0.000 0.246 145 G C -0.052 174.908 174.900 0.100 0.000 1.216 145 G CA -0.339 44.849 45.100 0.145 0.000 0.854 145 G HN 0.577 nan 8.290 nan 0.000 0.572 146 E N -0.186 120.049 120.200 0.058 0.000 2.414 146 E HA 0.343 4.693 4.350 0.000 0.000 0.263 146 E C 0.744 177.279 176.600 -0.107 0.000 1.000 146 E CA 0.037 56.429 56.400 -0.015 0.000 0.914 146 E CB 0.806 30.524 29.700 0.030 0.000 0.948 146 E HN 0.570 nan 8.360 nan 0.000 0.444 155 P HA 0.474 nan 4.420 nan 0.000 0.270 155 P C 0.720 178.017 177.300 -0.005 0.000 1.223 155 P CA 0.670 63.764 63.100 -0.009 0.000 0.785 155 P CB 1.132 32.822 31.700 -0.017 0.000 0.923 156 A N 1.360 124.182 122.820 0.002 0.000 2.178 156 A HA 0.217 4.537 4.320 0.000 0.000 0.211 156 A C 0.578 178.157 177.584 -0.008 0.000 1.157 156 A CA 0.549 52.586 52.037 0.001 0.000 0.780 156 A CB -0.354 18.654 19.000 0.012 0.000 0.828 156 A HN 0.494 nan 8.150 nan 0.000 0.476 157 L N -1.404 119.811 121.223 -0.012 0.000 2.549 157 L HA 0.489 4.829 4.340 0.000 0.000 0.259 157 L C -1.409 175.444 176.870 -0.028 0.000 0.934 157 L CA 0.165 54.990 54.840 -0.025 0.000 0.865 157 L CB 2.048 44.089 42.059 -0.029 0.000 1.352 157 L HN -0.071 nan 8.230 nan 0.000 0.410 158 T N 5.565 120.094 114.554 -0.042 0.000 2.786 158 T HA 0.547 4.897 4.350 0.000 0.000 0.283 158 T C -0.597 174.054 174.700 -0.082 0.000 0.992 158 T CA -0.248 61.825 62.100 -0.044 0.000 0.954 158 T CB 1.006 69.850 68.868 -0.040 0.000 0.934 158 T HN 0.480 nan 8.240 nan 0.000 0.440 159 L N 4.932 126.096 121.223 -0.099 0.000 2.262 159 L HA 0.499 4.839 4.340 0.000 0.000 0.288 159 L C -0.689 176.032 176.870 -0.249 0.000 1.035 159 L CA -0.878 53.803 54.840 -0.264 0.000 0.820 159 L CB 0.661 42.526 42.059 -0.325 0.000 1.204 159 L HN 0.467 nan 8.230 nan 0.000 0.424 160 I N 4.505 124.927 120.570 -0.247 0.000 2.321 160 I HA 0.311 4.481 4.170 0.000 0.000 0.291 160 I C -0.255 175.743 176.117 -0.197 0.000 0.998 160 I CA -0.145 61.116 61.300 -0.065 0.000 1.227 160 I CB 1.044 39.103 38.000 0.099 0.000 1.368 160 I HN 0.308 nan 8.210 nan 0.000 0.466 161 F N 3.532 123.374 119.950 -0.180 0.000 2.492 161 F HA 0.307 4.834 4.527 0.000 0.000 0.327 161 F C 0.850 176.634 175.800 -0.026 0.000 1.079 161 F CA -0.730 57.140 58.000 -0.217 0.000 0.967 161 F CB 1.390 40.171 39.000 -0.366 0.000 1.169 161 F HN 0.368 nan 8.300 nan 0.000 0.472 162 D N 4.246 124.740 120.400 0.157 0.000 2.456 162 D HA 0.315 4.955 4.640 0.000 0.000 0.219 162 D C -0.395 176.073 176.300 0.280 0.000 1.126 162 D CA 0.086 54.212 54.000 0.209 0.000 0.890 162 D CB 0.151 41.023 40.800 0.119 0.000 1.025 162 D HN 0.615 nan 8.370 nan 0.000 0.511 163 R N 1.374 122.029 120.500 0.257 0.000 0.959 163 R HA -0.172 4.169 4.340 0.000 0.000 0.432 163 R C -0.294 176.070 176.300 0.107 0.000 1.366 163 R CA 0.044 56.231 56.100 0.145 0.000 1.194 163 R CB -0.620 29.680 30.300 0.000 0.000 3.435 163 R HN 0.628 nan 8.270 nan 0.000 0.516 164 H N 3.111 122.144 119.070 -0.062 0.000 2.508 164 H HA 0.230 4.786 4.556 0.000 0.000 0.344 164 H C -1.734 173.388 175.328 -0.343 0.000 1.192 164 H CA -2.132 53.778 56.048 -0.229 0.000 1.290 164 H CB 1.786 31.288 29.762 -0.432 0.000 1.571 164 H HN 0.221 nan 8.280 nan 0.000 0.555 165 P HA -0.139 nan 4.420 nan 0.000 0.219 165 P C 1.607 178.808 177.300 -0.165 0.000 1.146 165 P CA 1.643 64.489 63.100 -0.423 0.000 0.808 165 P CB -0.140 31.291 31.700 -0.449 0.000 0.779 166 I N -4.338 116.263 120.570 0.050 0.000 2.850 166 I HA -0.127 4.043 4.170 0.000 0.000 0.266 166 I C 1.869 177.996 176.117 0.016 0.000 1.257 166 I CA 1.265 62.599 61.300 0.058 0.000 1.465 166 I CB -0.929 37.111 38.000 0.067 0.000 1.091 166 I HN -0.179 nan 8.210 nan 0.000 0.467 167 A N 1.620 124.451 122.820 0.019 0.000 1.898 167 A HA 0.115 4.435 4.320 0.000 0.000 0.216 167 A C 2.541 180.203 177.584 0.129 0.000 1.181 167 A CA 1.678 53.806 52.037 0.150 0.000 0.620 167 A CB -0.715 18.369 19.000 0.141 0.000 0.819 167 A HN 0.570 nan 8.150 nan 0.000 0.442 168 A N -0.914 121.893 122.820 -0.022 0.000 1.984 168 A HA 0.301 4.621 4.320 0.000 0.000 0.214 168 A C 1.880 179.364 177.584 -0.167 0.000 1.173 168 A CA 0.875 52.880 52.037 -0.055 0.000 0.673 168 A CB -0.299 18.728 19.000 0.045 0.000 0.830 168 A HN 0.402 nan 8.150 nan 0.000 0.453 169 L N -1.155 120.005 121.223 -0.104 0.000 2.567 169 L HA 0.181 4.521 4.340 0.000 0.000 0.225 169 L C 1.693 178.563 176.870 0.000 0.000 1.119 169 L CA 0.176 54.957 54.840 -0.097 0.000 0.871 169 L CB 0.400 42.466 42.059 0.012 0.000 1.036 169 L HN 0.479 nan 8.230 nan 0.000 0.459 170 L N -2.676 118.543 121.223 -0.007 0.000 2.681 170 L HA 0.115 4.455 4.340 0.000 0.000 0.163 170 L C 2.036 178.887 176.870 -0.031 0.000 1.188 170 L CA 0.954 55.799 54.840 0.009 0.000 0.944 170 L CB -0.475 41.572 42.059 -0.021 0.000 1.835 170 L HN -0.029 nan 8.230 nan 0.000 0.510 171 C N 0.269 119.500 119.300 -0.114 0.000 2.413 171 C HA -0.167 4.293 4.460 0.000 0.000 0.277 171 C C 2.535 177.416 174.990 -0.182 0.000 1.228 171 C CA 1.269 60.133 59.018 -0.257 0.000 1.731 171 C CB -1.399 26.004 27.740 -0.563 0.000 2.042 171 C HN 0.648 nan 8.230 nan 0.000 0.468 172 Y N 1.224 121.490 120.300 -0.056 0.000 2.242 172 Y HA -0.044 4.506 4.550 0.000 0.000 0.291 172 Y C 0.038 175.915 175.900 -0.039 0.000 1.137 172 Y CA 1.582 59.660 58.100 -0.038 0.000 1.181 172 Y CB -1.941 36.477 38.460 -0.070 0.000 0.989 172 Y HN 0.306 nan 8.280 nan 0.000 0.527 173 P HA -0.183 nan 4.420 nan 0.000 0.214 173 P C 1.537 178.908 177.300 0.119 0.000 1.162 173 P CA 2.395 65.559 63.100 0.106 0.000 0.879 173 P CB -0.132 31.657 31.700 0.147 0.000 0.786 174 A N 0.027 122.891 122.820 0.074 0.000 1.908 174 A HA -0.209 4.111 4.320 0.000 0.000 0.218 174 A C 2.316 179.926 177.584 0.043 0.000 1.181 174 A CA 2.434 54.511 52.037 0.068 0.000 0.627 174 A CB -1.703 17.273 19.000 -0.040 0.000 0.818 174 A HN 0.190 nan 8.150 nan 0.000 0.445 175 A N -0.699 122.089 122.820 -0.054 0.000 1.877 175 A HA -0.166 4.154 4.320 0.000 0.000 0.216 175 A C 2.197 179.752 177.584 -0.050 0.000 1.186 175 A CA 1.561 53.544 52.037 -0.090 0.000 0.620 175 A CB -0.458 18.434 19.000 -0.180 0.000 0.822 175 A HN 0.386 nan 8.150 nan 0.000 0.443 176 R N -1.593 118.905 120.500 -0.003 0.000 2.120 176 R HA -0.130 4.210 4.340 0.000 0.000 0.234 176 R C 1.976 178.295 176.300 0.031 0.000 1.123 176 R CA 1.562 57.667 56.100 0.009 0.000 0.975 176 R CB -1.049 29.271 30.300 0.033 0.000 0.866 176 R HN 0.788 nan 8.270 nan 0.000 0.446 177 Y N 0.954 121.237 120.300 -0.028 0.000 2.163 177 Y HA -0.151 4.399 4.550 0.000 0.000 0.288 177 Y C 1.839 177.705 175.900 -0.057 0.000 1.136 177 Y CA 1.044 59.125 58.100 -0.032 0.000 1.147 177 Y CB -0.450 37.990 38.460 -0.033 0.000 0.987 177 Y HN -0.130 nan 8.280 nan 0.000 0.509 178 L N 0.039 121.052 121.223 -0.351 0.000 2.265 178 L HA -0.186 4.154 4.340 0.000 0.000 0.215 178 L C 1.947 178.648 176.870 -0.282 0.000 1.117 178 L CA 1.411 56.008 54.840 -0.404 0.000 0.782 178 L CB -0.788 41.146 42.059 -0.209 0.000 0.914 178 L HN 0.351 nan 8.230 nan 0.000 0.441 179 M N -1.600 117.887 119.600 -0.188 0.000 2.556 179 M HA 0.247 4.727 4.480 0.000 0.000 0.245 179 M C 1.597 177.825 176.300 -0.119 0.000 1.128 179 M CA 0.820 56.045 55.300 -0.125 0.000 1.069 179 M CB -0.901 31.653 32.600 -0.077 0.000 1.469 179 M HN 0.348 nan 8.290 nan 0.000 0.494 180 G N 0.340 109.045 108.800 -0.158 0.000 2.157 180 G HA2 -0.242 3.718 3.960 0.000 0.000 0.248 180 G HA3 -0.242 3.718 3.960 0.000 0.000 0.248 180 G C 0.770 175.646 174.900 -0.040 0.000 0.979 180 G CA 0.707 45.740 45.100 -0.111 0.000 0.650 180 G HN 0.537 nan 8.290 nan 0.000 0.529 181 S N -1.366 114.322 115.700 -0.020 0.000 2.540 181 S HA 0.694 5.164 4.470 0.000 0.000 0.218 181 S C 0.431 175.065 174.600 0.055 0.000 0.977 181 S CA 0.621 58.827 58.200 0.011 0.000 0.918 181 S CB 0.532 63.727 63.200 -0.008 0.000 0.806 181 S HN 0.710 nan 8.310 nan 0.000 0.496 182 M N 2.538 122.202 119.600 0.106 0.000 2.421 182 M HA 0.356 4.836 4.480 0.000 0.000 0.287 182 M C -1.096 175.340 176.300 0.226 0.000 1.183 182 M CA -0.310 55.085 55.300 0.157 0.000 0.916 182 M CB 2.287 34.996 32.600 0.182 0.000 1.701 182 M HN 0.252 nan 8.290 nan 0.000 0.470 183 T N 0.599 115.238 114.554 0.142 0.000 2.910 183 T HA 0.434 4.784 4.350 0.000 0.000 0.293 183 T C -2.000 172.684 174.700 -0.026 0.000 1.015 183 T CA -1.325 60.834 62.100 0.098 0.000 1.094 183 T CB 0.729 69.618 68.868 0.034 0.000 0.968 183 T HN 0.552 nan 8.240 nan 0.000 0.521 184 P HA -0.086 nan 4.420 nan 0.000 0.223 184 P C 1.117 178.259 177.300 -0.263 0.000 1.151 184 P CA 0.951 63.767 63.100 -0.472 0.000 0.787 184 P CB 0.235 31.555 31.700 -0.633 0.000 0.788 185 Q N 0.283 119.947 119.800 -0.227 0.000 2.079 185 Q HA -0.040 4.301 4.340 0.000 0.000 0.200 185 Q C 2.518 178.474 176.000 -0.074 0.000 0.974 185 Q CA 1.916 57.622 55.803 -0.162 0.000 0.840 185 Q CB -1.024 27.690 28.738 -0.041 0.000 0.898 185 Q HN 0.194 nan 8.270 nan 0.000 0.430 186 A N 0.208 122.982 122.820 -0.076 0.000 1.858 186 A HA -0.171 4.149 4.320 0.000 0.000 0.216 186 A C 2.329 179.850 177.584 -0.105 0.000 1.190 186 A CA 1.583 53.538 52.037 -0.136 0.000 0.617 186 A CB -1.023 17.941 19.000 -0.059 0.000 0.827 186 A HN 0.214 nan 8.150 nan 0.000 0.443 187 V N 0.381 120.327 119.914 0.053 0.000 2.278 187 V HA -0.338 3.782 4.120 0.000 0.000 0.251 187 V C 2.560 178.703 176.094 0.082 0.000 1.062 187 V CA 2.262 64.668 62.300 0.178 0.000 1.038 187 V CB -0.910 31.016 31.823 0.171 0.000 0.646 187 V HN 0.581 nan 8.190 nan 0.000 0.447 188 L N -0.289 120.901 121.223 -0.055 0.000 2.141 188 L HA -0.116 4.224 4.340 0.000 0.000 0.209 188 L C 2.718 179.557 176.870 -0.052 0.000 1.094 188 L CA 1.248 56.014 54.840 -0.123 0.000 0.763 188 L CB -0.812 41.159 42.059 -0.147 0.000 0.908 188 L HN 0.386 nan 8.230 nan 0.000 0.437 189 A N 0.247 123.010 122.820 -0.095 0.000 1.902 189 A HA -0.211 4.109 4.320 0.000 0.000 0.217 189 A C 1.975 179.489 177.584 -0.118 0.000 1.181 189 A CA 1.524 53.469 52.037 -0.155 0.000 0.623 189 A CB -0.710 18.109 19.000 -0.301 0.000 0.818 189 A HN 0.282 nan 8.150 nan 0.000 0.443 190 F N -0.163 119.794 119.950 0.012 0.000 2.171 190 F HA -0.111 4.416 4.527 0.000 0.000 0.300 190 F C 2.455 178.257 175.800 0.002 0.000 1.090 190 F CA 1.025 59.034 58.000 0.015 0.000 1.293 190 F CB -0.880 38.136 39.000 0.027 0.000 1.013 190 F HN 0.020 nan 8.300 nan 0.000 0.486 191 V N -0.055 119.950 119.914 0.152 0.000 2.343 191 V HA -0.299 3.821 4.120 0.000 0.000 0.247 191 V C 2.577 178.692 176.094 0.035 0.000 1.051 191 V CA 1.785 64.116 62.300 0.052 0.000 1.036 191 V CB -1.338 30.453 31.823 -0.055 0.000 0.654 191 V HN 0.352 nan 8.190 nan 0.000 0.451 192 A N -0.697 122.139 122.820 0.027 0.000 2.067 192 A HA -0.050 4.270 4.320 0.000 0.000 0.219 192 A C 2.038 179.645 177.584 0.039 0.000 1.158 192 A CA 1.296 53.349 52.037 0.026 0.000 0.661 192 A CB -0.400 18.611 19.000 0.018 0.000 0.801 192 A HN 0.542 nan 8.150 nan 0.000 0.452 193 L N -0.199 121.063 121.223 0.066 0.000 2.592 193 L HA 0.225 4.565 4.340 0.000 0.000 0.227 193 L C -0.006 176.910 176.870 0.076 0.000 1.127 193 L CA -0.303 54.584 54.840 0.079 0.000 0.884 193 L CB -0.146 41.989 42.059 0.127 0.000 1.065 193 L HN 0.260 nan 8.230 nan 0.000 0.457 194 I N 3.248 123.858 120.570 0.067 0.000 2.581 194 I HA 0.022 4.192 4.170 0.000 0.000 0.285 194 I C -1.568 174.571 176.117 0.037 0.000 1.129 194 I CA -1.495 59.834 61.300 0.050 0.000 1.397 194 I CB 0.286 38.312 38.000 0.043 0.000 1.399 194 I HN -0.097 nan 8.210 nan 0.000 0.537 195 P HA 0.111 nan 4.420 nan 0.000 0.267 195 P C -2.494 174.822 177.300 0.027 0.000 1.200 195 P CA -1.169 61.945 63.100 0.023 0.000 0.772 195 P CB -0.351 31.356 31.700 0.011 0.000 0.855 196 P HA -0.005 nan 4.420 nan 0.000 0.261 196 P C -0.127 177.190 177.300 0.029 0.000 1.173 196 P CA 0.776 63.891 63.100 0.024 0.000 0.760 196 P CB -0.178 31.536 31.700 0.023 0.000 0.783 197 T N 5.044 119.609 114.554 0.019 0.000 2.750 197 T HA 0.160 4.510 4.350 0.000 0.000 0.286 197 T C 0.741 175.453 174.700 0.021 0.000 0.911 197 T CA -0.166 61.939 62.100 0.008 0.000 1.130 197 T CB -0.499 68.346 68.868 -0.038 0.000 0.873 197 T HN 0.158 nan 8.240 nan 0.000 0.536 198 L N 5.082 126.335 121.223 0.049 0.000 2.473 198 L HA 0.261 4.601 4.340 0.000 0.000 0.265 198 L C -1.846 175.073 176.870 0.081 0.000 1.243 198 L CA -1.844 53.039 54.840 0.073 0.000 0.822 198 L CB -0.340 41.781 42.059 0.104 0.000 1.101 198 L HN 0.329 nan 8.230 nan 0.000 0.507 199 P HA 0.151 nan 4.420 nan 0.000 0.274 199 P C 0.267 177.666 177.300 0.165 0.000 1.231 199 P CA 0.203 63.378 63.100 0.124 0.000 0.790 199 P CB 0.834 32.600 31.700 0.109 0.000 0.951 200 G N 0.847 109.793 108.800 0.243 0.000 2.198 200 G HA2 -0.208 3.752 3.960 0.000 0.000 0.257 200 G HA3 -0.208 3.752 3.960 0.000 0.000 0.257 200 G C 0.032 175.115 174.900 0.306 0.000 1.042 200 G CA -0.059 45.196 45.100 0.258 0.000 0.791 200 G HN 0.547 nan 8.290 nan 0.000 0.502 201 T N 1.947 116.671 114.554 0.284 0.000 2.992 201 T HA 0.335 4.685 4.350 0.000 0.000 0.299 201 T C 0.283 175.142 174.700 0.265 0.000 1.027 201 T CA -0.382 61.840 62.100 0.202 0.000 1.001 201 T CB 0.136 68.981 68.868 -0.038 0.000 1.005 201 T HN 0.384 nan 8.240 nan 0.000 0.599 202 N N 3.979 122.920 118.700 0.402 0.000 2.426 202 N HA 0.303 5.043 4.740 0.000 0.000 0.257 202 N C -0.695 175.074 175.510 0.431 0.000 1.002 202 N CA -0.453 52.898 53.050 0.502 0.000 0.942 202 N CB 1.463 40.218 38.487 0.448 0.000 1.112 202 N HN 0.409 nan 8.380 nan 0.000 0.499 203 I N 2.664 123.437 120.570 0.338 0.000 2.362 203 I HA 0.262 4.432 4.170 0.000 0.000 0.289 203 I C -0.178 176.124 176.117 0.308 0.000 0.994 203 I CA -0.722 60.723 61.300 0.242 0.000 1.158 203 I CB 1.823 39.842 38.000 0.032 0.000 1.315 203 I HN 0.048 nan 8.210 nan 0.000 0.451 204 V N 7.691 127.787 119.914 0.304 0.000 2.370 204 V HA 0.438 4.558 4.120 0.000 0.000 0.279 204 V C 0.233 176.461 176.094 0.224 0.000 1.029 204 V CA -0.524 61.947 62.300 0.285 0.000 0.870 204 V CB 1.774 33.749 31.823 0.253 0.000 0.984 204 V HN 0.444 nan 8.190 nan 0.000 0.451 205 L N 3.900 125.240 121.223 0.195 0.000 2.334 205 L HA 0.789 5.129 4.340 0.000 0.000 0.273 205 L C 0.776 177.742 176.870 0.160 0.000 1.013 205 L CA -0.471 54.454 54.840 0.141 0.000 0.816 205 L CB 1.860 44.006 42.059 0.146 0.000 1.278 205 L HN 0.726 nan 8.230 nan 0.000 0.431 206 G N 0.755 109.620 108.800 0.107 0.000 2.412 206 G HA2 0.678 4.638 3.960 0.000 0.000 0.318 206 G HA3 0.678 4.638 3.960 0.000 0.000 0.318 206 G C -1.062 173.909 174.900 0.118 0.000 1.146 206 G CA -0.367 44.868 45.100 0.225 0.000 0.882 206 G HN 0.721 nan 8.290 nan 0.000 0.501 207 A N 0.322 123.255 122.820 0.187 0.000 2.342 207 A HA 0.824 5.144 4.320 0.000 0.000 0.323 207 A C -1.241 176.394 177.584 0.085 0.000 1.125 207 A CA -0.588 51.505 52.037 0.094 0.000 0.785 207 A CB 1.807 20.855 19.000 0.080 0.000 1.221 207 A HN 1.394 nan 8.150 nan 0.000 0.463 208 L N 2.852 124.092 121.223 0.028 0.000 2.705 208 L HA 0.517 4.857 4.340 0.000 0.000 0.260 208 L C -2.869 174.022 176.870 0.036 0.000 0.921 208 L CA -0.840 54.008 54.840 0.014 0.000 0.948 208 L CB 1.813 43.818 42.059 -0.090 0.000 1.427 208 L HN 0.483 nan 8.230 nan 0.000 0.432 209 P HA 0.128 nan 4.420 nan 0.000 0.267 209 P C 0.449 177.793 177.300 0.073 0.000 1.200 209 P CA 0.093 63.223 63.100 0.049 0.000 0.772 209 P CB 0.686 32.409 31.700 0.038 0.000 0.855 210 E N 2.202 122.441 120.200 0.065 0.000 2.049 210 E HA -0.305 4.045 4.350 0.000 0.000 0.198 210 E C 1.293 177.928 176.600 0.059 0.000 1.007 210 E CA 1.826 58.266 56.400 0.066 0.000 0.809 210 E CB -0.114 29.600 29.700 0.024 0.000 0.749 210 E HN 0.574 nan 8.360 nan 0.000 0.450 211 D N -0.130 120.294 120.400 0.039 0.000 2.149 211 D HA -0.229 4.411 4.640 0.000 0.000 0.198 211 D C 1.941 178.270 176.300 0.048 0.000 0.990 211 D CA 0.802 54.821 54.000 0.031 0.000 0.839 211 D CB -0.420 40.393 40.800 0.022 0.000 0.948 211 D HN 0.054 nan 8.370 nan 0.000 0.460 212 R N 0.093 120.630 120.500 0.061 0.000 2.090 212 R HA -0.070 4.270 4.340 0.000 0.000 0.228 212 R C 2.347 178.711 176.300 0.106 0.000 1.110 212 R CA 1.081 57.221 56.100 0.066 0.000 0.973 212 R CB -1.118 29.213 30.300 0.053 0.000 0.869 212 R HN 0.560 nan 8.270 nan 0.000 0.440 213 H N -0.146 118.919 119.070 -0.008 0.000 2.387 213 H HA 0.007 4.563 4.556 0.000 0.000 0.299 213 H C 2.073 177.384 175.328 -0.027 0.000 1.090 213 H CA 1.350 57.382 56.048 -0.027 0.000 1.332 213 H CB 0.113 29.846 29.762 -0.047 0.000 1.386 213 H HN 0.079 nan 8.280 nan 0.000 0.516 214 I N 0.798 121.408 120.570 0.068 0.000 2.264 214 I HA -0.277 3.893 4.170 0.000 0.000 0.248 214 I C 1.813 177.951 176.117 0.035 0.000 1.111 214 I CA 1.150 62.448 61.300 -0.003 0.000 1.382 214 I CB -0.258 37.735 38.000 -0.013 0.000 1.060 214 I HN 0.357 nan 8.210 nan 0.000 0.418 215 D N 0.852 121.284 120.400 0.054 0.000 2.097 215 D HA -0.134 4.506 4.640 0.000 0.000 0.195 215 D C 2.371 178.705 176.300 0.057 0.000 0.989 215 D CA 1.276 55.304 54.000 0.047 0.000 0.827 215 D CB -0.196 40.629 40.800 0.042 0.000 0.966 215 D HN 0.282 nan 8.370 nan 0.000 0.456 216 R N 0.077 120.627 120.500 0.083 0.000 2.119 216 R HA 0.080 4.420 4.340 0.000 0.000 0.222 216 R C 2.418 178.776 176.300 0.097 0.000 1.088 216 R CA 0.081 56.228 56.100 0.079 0.000 0.984 216 R CB -0.190 30.145 30.300 0.059 0.000 0.884 216 R HN 0.188 nan 8.270 nan 0.000 0.447 217 L N 0.413 121.716 121.223 0.133 0.000 2.017 217 L HA -0.180 4.160 4.340 0.000 0.000 0.208 217 L C 2.317 179.220 176.870 0.054 0.000 1.073 217 L CA 1.585 56.484 54.840 0.098 0.000 0.745 217 L CB -0.429 41.636 42.059 0.010 0.000 0.894 217 L HN 0.230 nan 8.230 nan 0.000 0.432 218 A N 0.756 123.598 122.820 0.037 0.000 1.902 218 A HA -0.251 4.069 4.320 0.000 0.000 0.217 218 A C 2.144 179.742 177.584 0.022 0.000 1.181 218 A CA 1.848 53.897 52.037 0.021 0.000 0.623 218 A CB -0.505 18.505 19.000 0.016 0.000 0.818 218 A HN 0.592 nan 8.150 nan 0.000 0.443 219 K N -1.741 118.678 120.400 0.031 0.000 2.574 219 K HA 0.004 4.324 4.320 0.000 0.000 0.193 219 K C 0.215 176.834 176.600 0.033 0.000 1.035 219 K CA 0.903 57.208 56.287 0.029 0.000 0.982 219 K CB 0.003 32.523 32.500 0.032 0.000 0.795 219 K HN 0.116 nan 8.250 nan 0.000 0.491 220 R N 1.600 122.124 120.500 0.040 0.000 3.033 220 R HA 0.135 4.475 4.340 0.000 0.000 0.236 220 R C -1.561 174.769 176.300 0.050 0.000 1.774 220 R CA -0.195 55.933 56.100 0.046 0.000 1.401 220 R CB 0.663 30.997 30.300 0.056 0.000 1.539 220 R HN 0.133 nan 8.270 nan 0.000 0.618 221 Q N 2.561 122.373 119.800 0.019 0.000 2.256 221 Q HA 0.377 4.717 4.340 0.000 0.000 0.254 221 Q C 0.095 176.091 176.000 -0.005 0.000 0.916 221 Q CA -0.664 55.130 55.803 -0.015 0.000 0.932 221 Q CB 1.269 29.969 28.738 -0.063 0.000 1.207 221 Q HN 0.124 nan 8.270 nan 0.000 0.426 222 R N 2.430 122.933 120.500 0.005 0.000 2.774 222 R HA 0.287 4.627 4.340 0.000 0.000 0.269 222 R C -2.058 174.246 176.300 0.005 0.000 1.068 222 R CA -2.086 54.041 56.100 0.045 0.000 1.180 222 R CB -0.925 29.444 30.300 0.114 0.000 1.077 222 R HN 0.430 nan 8.270 nan 0.000 0.513 223 P HA 0.018 nan 4.420 nan 0.000 0.267 223 P C 0.526 177.830 177.300 0.007 0.000 1.205 223 P CA 0.642 63.750 63.100 0.013 0.000 0.765 223 P CB 0.538 32.256 31.700 0.029 0.000 0.828 224 G N 2.088 110.874 108.800 -0.022 0.000 2.258 224 G HA2 -0.205 3.755 3.960 0.000 0.000 0.233 224 G HA3 -0.205 3.755 3.960 0.000 0.000 0.233 224 G C 0.213 175.060 174.900 -0.087 0.000 1.006 224 G CA -0.290 44.800 45.100 -0.016 0.000 0.620 224 G HN 0.562 nan 8.290 nan 0.000 0.511 225 E N 0.793 120.861 120.200 -0.220 0.000 2.418 225 E HA 0.432 4.782 4.350 0.000 0.000 0.261 225 E C 0.541 176.885 176.600 -0.427 0.000 1.070 225 E CA 0.275 56.309 56.400 -0.612 0.000 0.931 225 E CB 0.401 29.787 29.700 -0.523 0.000 0.954 225 E HN 0.442 nan 8.360 nan 0.000 0.439 226 R N 1.355 121.535 120.500 -0.533 0.000 2.795 226 R HA 0.386 4.726 4.340 0.000 0.000 0.275 226 R C -0.710 175.519 176.300 -0.119 0.000 0.981 226 R CA -0.918 55.074 56.100 -0.179 0.000 0.917 226 R CB 1.217 31.507 30.300 -0.017 0.000 1.202 226 R HN 0.359 nan 8.270 nan 0.000 0.469 227 L N 2.342 123.544 121.223 -0.036 0.000 2.334 227 L HA 0.129 4.469 4.340 0.000 0.000 0.286 227 L C -0.414 176.493 176.870 0.061 0.000 1.108 227 L CA 0.053 54.898 54.840 0.007 0.000 0.875 227 L CB 0.270 42.328 42.059 -0.002 0.000 1.246 227 L HN 0.426 nan 8.230 nan 0.000 0.439 228 D N 3.956 124.432 120.400 0.127 0.000 2.454 228 D HA 0.162 4.802 4.640 0.000 0.000 0.225 228 D C 0.926 177.276 176.300 0.083 0.000 1.081 228 D CA -0.274 53.810 54.000 0.141 0.000 0.864 228 D CB 1.230 42.174 40.800 0.240 0.000 1.040 228 D HN 0.377 nan 8.370 nan 0.000 0.517 229 L N 2.480 123.722 121.223 0.031 0.000 2.376 229 L HA -0.030 4.310 4.340 0.000 0.000 0.219 229 L C 2.289 179.147 176.870 -0.020 0.000 1.133 229 L CA 0.655 55.486 54.840 -0.015 0.000 0.816 229 L CB -0.168 41.878 42.059 -0.022 0.000 0.933 229 L HN 0.371 nan 8.230 nan 0.000 0.449 230 A N -0.146 122.675 122.820 0.003 0.000 1.897 230 A HA -0.206 4.114 4.320 0.000 0.000 0.215 230 A C 2.208 179.786 177.584 -0.011 0.000 1.181 230 A CA 1.419 53.449 52.037 -0.012 0.000 0.620 230 A CB -0.331 18.665 19.000 -0.007 0.000 0.821 230 A HN 0.322 nan 8.150 nan 0.000 0.443 231 M N -0.450 119.168 119.600 0.031 0.000 2.319 231 M HA 0.079 4.559 4.480 0.000 0.000 0.265 231 M C 1.708 178.030 176.300 0.037 0.000 1.068 231 M CA 1.028 56.362 55.300 0.056 0.000 1.118 231 M CB -0.441 32.245 32.600 0.143 0.000 1.395 231 M HN 0.364 nan 8.290 nan 0.000 0.435 232 L N -0.362 120.847 121.223 -0.023 0.000 2.056 232 L HA -0.071 4.269 4.340 0.000 0.000 0.207 232 L C 2.140 178.923 176.870 -0.146 0.000 1.078 232 L CA 1.919 56.654 54.840 -0.175 0.000 0.749 232 L CB -1.094 40.803 42.059 -0.270 0.000 0.901 232 L HN 0.396 nan 8.230 nan 0.000 0.433 233 A N -0.264 122.500 122.820 -0.093 0.000 1.898 233 A HA -0.109 4.211 4.320 0.000 0.000 0.216 233 A C 2.452 180.000 177.584 -0.060 0.000 1.181 233 A CA 1.568 53.562 52.037 -0.071 0.000 0.620 233 A CB -0.655 18.310 19.000 -0.058 0.000 0.819 233 A HN 0.523 nan 8.150 nan 0.000 0.442 234 A N -0.407 122.377 122.820 -0.061 0.000 1.902 234 A HA -0.084 4.236 4.320 0.000 0.000 0.217 234 A C 2.089 179.631 177.584 -0.070 0.000 1.181 234 A CA 1.741 53.735 52.037 -0.071 0.000 0.623 234 A CB -0.538 18.415 19.000 -0.079 0.000 0.818 234 A HN 0.518 nan 8.150 nan 0.000 0.443 235 I N -0.438 120.096 120.570 -0.060 0.000 2.353 235 I HA -0.139 4.031 4.170 0.000 0.000 0.248 235 I C 2.445 178.600 176.117 0.063 0.000 1.119 235 I CA 1.188 62.461 61.300 -0.045 0.000 1.417 235 I CB -0.283 37.691 38.000 -0.042 0.000 1.078 235 I HN 0.233 nan 8.210 nan 0.000 0.421 236 R N -0.390 120.122 120.500 0.021 0.000 2.081 236 R HA -0.135 4.205 4.340 0.000 0.000 0.235 236 R C 2.496 178.829 176.300 0.055 0.000 1.131 236 R CA 1.293 57.428 56.100 0.059 0.000 0.960 236 R CB -0.432 29.883 30.300 0.025 0.000 0.856 236 R HN 0.304 nan 8.270 nan 0.000 0.436 237 R N 0.682 121.183 120.500 0.003 0.000 2.073 237 R HA -0.120 4.221 4.340 0.000 0.000 0.234 237 R C 2.146 178.427 176.300 -0.032 0.000 1.134 237 R CA 1.506 57.594 56.100 -0.020 0.000 0.952 237 R CB -0.245 30.025 30.300 -0.049 0.000 0.850 237 R HN 0.069 nan 8.270 nan 0.000 0.433 238 V N 0.192 120.071 119.914 -0.058 0.000 2.332 238 V HA -0.276 3.844 4.120 0.000 0.000 0.248 238 V C 1.909 177.912 176.094 -0.151 0.000 1.055 238 V CA 1.806 64.026 62.300 -0.132 0.000 1.038 238 V CB -0.622 31.083 31.823 -0.198 0.000 0.651 238 V HN 0.362 nan 8.190 nan 0.000 0.450 239 Y N 0.979 121.241 120.300 -0.064 0.000 2.314 239 Y HA 0.005 4.555 4.550 0.000 0.000 0.293 239 Y C 2.454 178.339 175.900 -0.025 0.000 1.129 239 Y CA 1.288 59.367 58.100 -0.035 0.000 1.201 239 Y CB -0.809 37.643 38.460 -0.014 0.000 0.999 239 Y HN 0.266 nan 8.280 nan 0.000 0.541 240 G N -0.073 108.793 108.800 0.109 0.000 2.404 240 G HA2 -0.210 3.750 3.960 0.000 0.000 0.215 240 G HA3 -0.210 3.750 3.960 0.000 0.000 0.215 240 G C 1.644 176.554 174.900 0.017 0.000 1.174 240 G CA 0.955 46.091 45.100 0.060 0.000 0.780 240 G HN 0.323 nan 8.290 nan 0.000 0.537 241 L N -0.172 121.037 121.223 -0.025 0.000 2.012 241 L HA -0.069 4.271 4.340 0.000 0.000 0.210 241 L C 2.726 179.552 176.870 -0.075 0.000 1.073 241 L CA 0.830 55.633 54.840 -0.062 0.000 0.748 241 L CB -0.581 41.416 42.059 -0.104 0.000 0.891 241 L HN 0.254 nan 8.230 nan 0.000 0.431 242 L N 0.469 121.634 121.223 -0.096 0.000 2.043 242 L HA -0.212 4.128 4.340 0.000 0.000 0.212 242 L C 2.594 179.441 176.870 -0.037 0.000 1.075 242 L CA 2.104 56.880 54.840 -0.105 0.000 0.752 242 L CB -0.629 41.332 42.059 -0.164 0.000 0.891 242 L HN 0.160 nan 8.230 nan 0.000 0.432 243 A N -0.712 122.115 122.820 0.011 0.000 1.969 243 A HA -0.166 4.154 4.320 0.000 0.000 0.218 243 A C 2.042 179.642 177.584 0.027 0.000 1.169 243 A CA 1.655 53.708 52.037 0.027 0.000 0.635 243 A CB -0.704 18.328 19.000 0.053 0.000 0.810 243 A HN 0.604 nan 8.150 nan 0.000 0.445 244 N N -0.180 118.535 118.700 0.025 0.000 2.216 244 N HA -0.079 4.661 4.740 0.000 0.000 0.183 244 N C 1.671 177.231 175.510 0.084 0.000 1.017 244 N CA 1.800 54.880 53.050 0.051 0.000 0.861 244 N CB -0.770 37.737 38.487 0.034 0.000 0.986 244 N HN 0.467 nan 8.380 nan 0.000 0.428 245 T N 0.715 115.289 114.554 0.033 0.000 2.788 245 T HA -0.054 4.296 4.350 0.000 0.000 0.268 245 T C 2.127 176.916 174.700 0.148 0.000 1.044 245 T CA 0.873 63.013 62.100 0.066 0.000 1.139 245 T CB -0.309 68.496 68.868 -0.105 0.000 0.867 245 T HN -0.021 nan 8.240 nan 0.000 0.454 246 V N 1.514 121.466 119.914 0.064 0.000 2.307 246 V HA -0.170 3.950 4.120 0.000 0.000 0.245 246 V C 2.634 178.772 176.094 0.072 0.000 1.045 246 V CA 1.575 63.902 62.300 0.045 0.000 1.024 246 V CB -0.577 31.235 31.823 -0.018 0.000 0.651 246 V HN 0.395 nan 8.190 nan 0.000 0.449 247 R N -1.047 119.504 120.500 0.083 0.000 2.073 247 R HA -0.196 4.144 4.340 0.000 0.000 0.234 247 R C 2.354 178.735 176.300 0.136 0.000 1.134 247 R CA 2.076 58.228 56.100 0.086 0.000 0.952 247 R CB -0.666 29.683 30.300 0.082 0.000 0.850 247 R HN 0.604 nan 8.270 nan 0.000 0.433 248 Y N 1.908 122.249 120.300 0.069 0.000 2.081 248 Y HA -0.262 4.288 4.550 0.000 0.000 0.280 248 Y C 2.028 177.992 175.900 0.107 0.000 1.163 248 Y CA 1.668 59.829 58.100 0.101 0.000 1.135 248 Y CB -0.469 38.084 38.460 0.154 0.000 0.970 248 Y HN -0.049 nan 8.280 nan 0.000 0.498 249 L N -0.009 121.317 121.223 0.171 0.000 2.042 249 L HA -0.284 4.056 4.340 0.000 0.000 0.210 249 L C 2.486 179.344 176.870 -0.020 0.000 1.076 249 L CA 1.815 56.690 54.840 0.059 0.000 0.749 249 L CB -0.631 41.536 42.059 0.179 0.000 0.893 249 L HN 0.344 nan 8.230 nan 0.000 0.432 250 Q N -1.337 118.465 119.800 0.005 0.000 2.369 250 Q HA -0.111 4.229 4.340 0.000 0.000 0.206 250 Q C 1.828 177.812 176.000 -0.027 0.000 0.963 250 Q CA 0.841 56.639 55.803 -0.009 0.000 0.894 250 Q CB -0.027 28.712 28.738 0.001 0.000 0.965 250 Q HN 0.543 nan 8.270 nan 0.000 0.475 251 C N 0.153 119.422 119.300 -0.051 0.000 2.693 251 C HA 0.314 4.774 4.460 0.000 0.000 0.286 251 C C 1.420 176.344 174.990 -0.110 0.000 1.277 251 C CA 0.295 59.278 59.018 -0.059 0.000 1.705 251 C CB -0.840 26.880 27.740 -0.032 0.000 1.879 251 C HN 0.761 nan 8.230 nan 0.000 0.607 252 G N 0.674 109.392 108.800 -0.135 0.000 2.132 252 G HA2 -0.106 3.854 3.960 0.000 0.000 0.234 252 G HA3 -0.106 3.854 3.960 0.000 0.000 0.234 252 G C 0.342 175.086 174.900 -0.260 0.000 0.989 252 G CA -0.055 44.957 45.100 -0.147 0.000 0.676 252 G HN 0.800 nan 8.290 nan 0.000 0.522 253 G N -0.148 108.341 108.800 -0.518 0.000 2.398 253 G HA2 0.490 4.450 3.960 0.000 0.000 0.246 253 G HA3 0.490 4.450 3.960 0.000 0.000 0.246 253 G C 0.196 174.827 174.900 -0.448 0.000 1.289 253 G CA 0.970 45.477 45.100 -0.988 0.000 0.869 253 G HN 1.195 nan 8.290 nan 0.000 0.543 254 S N 2.962 118.560 115.700 -0.170 0.000 2.640 254 S HA 0.296 4.766 4.470 0.000 0.000 0.320 254 S C 1.072 175.702 174.600 0.049 0.000 1.097 254 S CA -0.942 57.228 58.200 -0.049 0.000 1.092 254 S CB 0.193 63.320 63.200 -0.122 0.000 0.988 254 S HN 0.731 nan 8.310 nan 0.000 0.470 255 W N 6.091 127.357 121.300 -0.057 0.000 2.350 255 W HA -0.151 4.509 4.660 0.000 0.000 0.289 255 W C 0.977 177.462 176.519 -0.056 0.000 1.215 255 W CA 0.691 57.900 57.345 -0.227 0.000 1.236 255 W CB -0.557 28.228 29.460 -1.125 0.000 1.130 255 W HN 0.645 nan 8.180 nan 0.000 0.541 256 R N 0.828 120.610 120.500 -1.195 0.000 2.120 256 R HA -0.117 4.223 4.340 0.000 0.000 0.234 256 R C 2.345 178.414 176.300 -0.385 0.000 1.123 256 R CA 2.139 57.584 56.100 -1.091 0.000 0.975 256 R CB -0.287 29.413 30.300 -1.000 0.000 0.866 256 R HN 0.308 nan 8.270 nan 0.000 0.446 257 E N -0.086 119.972 120.200 -0.238 0.000 2.076 257 E HA -0.114 4.236 4.350 0.000 0.000 0.190 257 E C 0.867 177.466 176.600 -0.001 0.000 0.979 257 E CA 0.938 57.281 56.400 -0.096 0.000 0.807 257 E CB 0.170 29.824 29.700 -0.077 0.000 0.761 257 E HN 0.276 nan 8.360 nan 0.000 0.454 258 D N -0.134 120.301 120.400 0.058 0.000 2.349 258 D HA -0.098 4.542 4.640 0.000 0.000 0.224 258 D C 1.113 177.486 176.300 0.121 0.000 1.029 258 D CA 0.039 54.086 54.000 0.079 0.000 0.879 258 D CB -0.281 40.592 40.800 0.121 0.000 0.906 258 D HN 0.311 nan 8.370 nan 0.000 0.528 259 W N 1.964 123.265 121.300 0.002 0.000 2.321 259 W HA -0.187 4.473 4.660 0.000 0.000 0.306 259 W C 1.847 178.397 176.519 0.051 0.000 1.217 259 W CA 1.791 59.185 57.345 0.081 0.000 1.257 259 W CB -0.352 29.169 29.460 0.101 0.000 1.145 259 W HN 0.086 nan 8.180 nan 0.000 0.509 260 G N 0.346 109.213 108.800 0.111 0.000 2.470 260 G HA2 -0.303 3.657 3.960 0.000 0.000 0.220 260 G HA3 -0.303 3.657 3.960 0.000 0.000 0.220 260 G C 1.364 176.227 174.900 -0.062 0.000 1.121 260 G CA 0.700 45.806 45.100 0.010 0.000 0.766 260 G HN 0.456 nan 8.290 nan 0.000 0.553 261 Q N -0.429 119.337 119.800 -0.057 0.000 2.437 261 Q HA 0.149 4.489 4.340 0.000 0.000 0.210 261 Q C 2.170 178.151 176.000 -0.032 0.000 0.972 261 Q CA 0.265 56.051 55.803 -0.028 0.000 0.903 261 Q CB -0.089 28.611 28.738 -0.063 0.000 0.967 261 Q HN 0.473 nan 8.270 nan 0.000 0.486 262 L N -0.462 120.654 121.223 -0.177 0.000 2.418 262 L HA 0.048 4.388 4.340 0.000 0.000 0.218 262 L C 0.876 177.626 176.870 -0.200 0.000 1.125 262 L CA 0.058 54.758 54.840 -0.233 0.000 0.835 262 L CB 0.282 42.037 42.059 -0.507 0.000 0.953 262 L HN -0.021 nan 8.230 nan 0.000 0.454 281 R N -0.325 120.222 120.500 0.078 0.000 8.011 281 R HA 0.038 4.378 4.340 0.000 0.000 0.265 281 R C -3.302 173.107 176.300 0.181 0.000 0.843 281 R CA -0.291 55.883 56.100 0.124 0.000 1.941 281 R CB -2.131 28.226 30.300 0.095 0.000 1.425 281 R HN 0.586 nan 8.270 nan 0.000 0.968 282 P HA 0.145 nan 4.420 nan 0.000 0.274 282 P C -0.940 176.514 177.300 0.257 0.000 1.246 282 P CA -0.525 62.703 63.100 0.213 0.000 0.795 282 P CB 0.395 32.195 31.700 0.168 0.000 1.006 283 H N 2.037 121.156 119.070 0.082 0.000 2.683 283 H HA 0.106 4.662 4.556 0.000 0.000 0.339 283 H C 1.215 176.504 175.328 -0.066 0.000 1.081 283 H CA -0.031 56.045 56.048 0.047 0.000 1.432 283 H CB 0.720 30.495 29.762 0.021 0.000 1.462 283 H HN 0.432 nan 8.280 nan 0.000 0.557 284 I N 3.650 124.009 120.570 -0.352 0.000 2.502 284 I HA -0.192 3.978 4.170 0.000 0.000 0.258 284 I C 1.795 177.902 176.117 -0.015 0.000 1.172 284 I CA 1.600 62.701 61.300 -0.331 0.000 1.430 284 I CB -0.236 37.609 38.000 -0.260 0.000 1.086 284 I HN 0.762 nan 8.210 nan 0.000 0.440 285 G N -0.533 108.476 108.800 0.348 0.000 2.848 285 G HA2 -0.109 3.851 3.960 0.000 0.000 0.208 285 G HA3 -0.109 3.851 3.960 0.000 0.000 0.208 285 G C 0.692 175.648 174.900 0.093 0.000 1.152 285 G CA 0.296 45.547 45.100 0.252 0.000 0.789 285 G HN 0.383 nan 8.290 nan 0.000 0.531 286 D N 0.264 120.717 120.400 0.089 0.000 2.571 286 D HA 0.136 4.776 4.640 0.000 0.000 0.239 286 D C 0.795 177.083 176.300 -0.020 0.000 1.267 286 D CA 0.169 54.180 54.000 0.019 0.000 0.823 286 D CB 0.868 41.693 40.800 0.043 0.000 1.056 286 D HN 0.365 nan 8.370 nan 0.000 0.494 287 T N -3.214 111.307 114.554 -0.055 0.000 2.907 287 T HA 0.428 4.778 4.350 0.000 0.000 0.290 287 T C 1.481 176.090 174.700 -0.153 0.000 1.066 287 T CA -0.685 61.351 62.100 -0.107 0.000 1.012 287 T CB 1.300 70.083 68.868 -0.142 0.000 1.184 287 T HN -0.190 nan 8.240 nan 0.000 0.522 288 L N -0.451 120.610 121.223 -0.270 0.000 2.187 288 L HA -0.030 4.310 4.340 0.000 0.000 0.213 288 L C 2.206 178.929 176.870 -0.245 0.000 1.100 288 L CA 1.335 55.995 54.840 -0.300 0.000 0.765 288 L CB -0.816 41.050 42.059 -0.321 0.000 0.904 288 L HN 0.586 nan 8.230 nan 0.000 0.437 289 F N -0.587 119.382 119.950 0.031 0.000 2.236 289 F HA -0.272 4.255 4.527 0.000 0.000 0.302 289 F C 2.778 178.627 175.800 0.080 0.000 1.073 289 F CA 1.728 59.803 58.000 0.126 0.000 1.336 289 F CB -1.351 37.723 39.000 0.123 0.000 1.040 289 F HN 0.035 nan 8.300 nan 0.000 0.507 290 T N -0.160 114.440 114.554 0.078 0.000 2.962 290 T HA -0.072 4.278 4.350 0.000 0.000 0.270 290 T C 2.018 176.653 174.700 -0.108 0.000 1.088 290 T CA 0.801 62.880 62.100 -0.035 0.000 1.127 290 T CB -0.263 68.570 68.868 -0.057 0.000 0.883 290 T HN 0.216 nan 8.240 nan 0.000 0.493 291 L N -0.462 120.605 121.223 -0.261 0.000 2.217 291 L HA 0.111 4.451 4.340 0.000 0.000 0.211 291 L C 1.126 177.700 176.870 -0.492 0.000 1.107 291 L CA 0.846 55.428 54.840 -0.428 0.000 0.783 291 L CB -0.371 41.249 42.059 -0.731 0.000 0.919 291 L HN 0.281 nan 8.230 nan 0.000 0.442 292 F N -0.745 119.232 119.950 0.045 0.000 2.701 292 F HA 0.168 4.695 4.527 0.000 0.000 0.295 292 F C 1.464 177.415 175.800 0.251 0.000 1.165 292 F CA -0.050 57.979 58.000 0.048 0.000 1.399 292 F CB -0.299 38.700 39.000 -0.002 0.000 0.996 292 F HN -0.160 nan 8.300 nan 0.000 0.513 293 R N 1.373 122.028 120.500 0.258 0.000 3.311 293 R HA 0.478 4.818 4.340 0.000 0.000 0.332 293 R C -0.261 176.117 176.300 0.129 0.000 1.317 293 R CA -0.148 56.082 56.100 0.216 0.000 1.192 293 R CB -0.153 30.085 30.300 -0.103 0.000 1.454 293 R HN 0.173 nan 8.270 nan 0.000 0.605 294 A N 1.332 124.231 122.820 0.132 0.000 2.301 294 A HA 0.432 4.752 4.320 0.000 0.000 0.312 294 A C -1.497 176.132 177.584 0.075 0.000 1.182 294 A CA -1.344 50.745 52.037 0.087 0.000 0.826 294 A CB 0.805 19.832 19.000 0.044 0.000 1.134 294 A HN 0.094 nan 8.150 nan 0.000 0.501 295 P HA -0.161 nan 4.420 nan 0.000 0.223 295 P C 0.487 177.827 177.300 0.067 0.000 1.144 295 P CA 1.222 64.360 63.100 0.063 0.000 0.783 295 P CB 0.378 32.110 31.700 0.053 0.000 0.771 296 E N -0.098 120.129 120.200 0.045 0.000 2.208 296 E HA -0.008 4.342 4.350 0.000 0.000 0.193 296 E C 1.909 178.542 176.600 0.055 0.000 0.988 296 E CA 0.795 57.219 56.400 0.040 0.000 0.828 296 E CB -0.547 29.142 29.700 -0.020 0.000 0.763 296 E HN 0.311 nan 8.360 nan 0.000 0.478 297 L N 0.232 121.437 121.223 -0.031 0.000 2.592 297 L HA 0.221 4.561 4.340 0.000 0.000 0.227 297 L C 0.232 177.231 176.870 0.216 0.000 1.127 297 L CA -0.112 54.708 54.840 -0.034 0.000 0.884 297 L CB -0.056 41.818 42.059 -0.307 0.000 1.065 297 L HN 0.007 nan 8.230 nan 0.000 0.457 298 L N -0.073 121.206 121.223 0.094 0.000 2.344 298 L HA 0.674 5.014 4.340 0.000 0.000 0.272 298 L C 0.370 177.095 176.870 -0.241 0.000 1.035 298 L CA -0.607 54.193 54.840 -0.066 0.000 0.807 298 L CB 1.486 43.563 42.059 0.030 0.000 1.237 298 L HN -0.079 nan 8.230 nan 0.000 0.442 299 A N 2.144 124.648 122.820 -0.526 0.000 2.271 299 A HA 0.508 4.829 4.320 0.000 0.000 0.288 299 A C -1.800 175.698 177.584 -0.143 0.000 1.094 299 A CA -1.412 50.328 52.037 -0.496 0.000 0.828 299 A CB 0.074 18.692 19.000 -0.637 0.000 1.091 299 A HN 0.632 nan 8.150 nan 0.000 0.493 300 P HA -0.176 nan 4.420 nan 0.000 0.220 300 P C 0.243 177.535 177.300 -0.014 0.000 1.142 300 P CA 1.905 65.004 63.100 -0.002 0.000 0.801 300 P CB -0.079 31.634 31.700 0.021 0.000 0.764 301 N N -3.069 115.608 118.700 -0.038 0.000 2.234 301 N HA 0.252 4.992 4.740 0.000 0.000 0.227 301 N C 1.132 176.634 175.510 -0.013 0.000 1.151 301 N CA 0.227 53.264 53.050 -0.021 0.000 0.865 301 N CB -0.198 38.275 38.487 -0.024 0.000 1.066 301 N HN 0.089 nan 8.380 nan 0.000 0.515 302 G N -0.348 108.442 108.800 -0.018 0.000 2.299 302 G HA2 -0.296 3.664 3.960 0.000 0.000 0.237 302 G HA3 -0.296 3.664 3.960 0.000 0.000 0.237 302 G C -0.372 174.552 174.900 0.040 0.000 1.027 302 G CA 0.119 45.237 45.100 0.030 0.000 0.619 302 G HN 0.429 nan 8.290 nan 0.000 0.513 303 D N 1.083 121.462 120.400 -0.035 0.000 2.488 303 D HA 0.297 4.937 4.640 0.000 0.000 0.238 303 D C 1.103 177.304 176.300 -0.165 0.000 1.138 303 D CA 0.029 53.985 54.000 -0.074 0.000 0.873 303 D CB 0.616 41.341 40.800 -0.126 0.000 1.183 303 D HN 0.350 nan 8.370 nan 0.000 0.458 304 L N 2.980 124.122 121.223 -0.135 0.000 2.453 304 L HA 0.009 4.349 4.340 0.000 0.000 0.272 304 L C 0.153 176.932 176.870 -0.152 0.000 1.182 304 L CA -0.341 54.422 54.840 -0.127 0.000 0.858 304 L CB 0.249 42.155 42.059 -0.255 0.000 1.120 304 L HN 0.341 nan 8.230 nan 0.000 0.474 305 Y N 3.519 123.837 120.300 0.030 0.000 2.480 305 Y HA -0.068 4.482 4.550 0.000 0.000 0.338 305 Y C 1.676 177.359 175.900 -0.361 0.000 1.220 305 Y CA 0.046 58.061 58.100 -0.142 0.000 1.430 305 Y CB 0.236 38.608 38.460 -0.146 0.000 1.311 305 Y HN 0.571 nan 8.280 nan 0.000 0.575 306 N N 1.081 119.561 118.700 -0.366 0.000 2.104 306 N HA -0.172 4.568 4.740 0.000 0.000 0.190 306 N C 1.863 176.634 175.510 -1.232 0.000 1.024 306 N CA 1.935 54.423 53.050 -0.936 0.000 0.853 306 N CB -0.332 37.436 38.487 -1.197 0.000 1.008 306 N HN 0.539 nan 8.380 nan 0.000 0.424 307 V N -0.163 119.227 119.914 -0.873 0.000 2.324 307 V HA -0.215 3.905 4.120 0.000 0.000 0.250 307 V C 1.948 177.827 176.094 -0.358 0.000 1.060 307 V CA 1.611 63.600 62.300 -0.517 0.000 1.042 307 V CB -1.141 30.296 31.823 -0.644 0.000 0.650 307 V HN 0.020 nan 8.190 nan 0.000 0.450 308 F N 1.515 121.363 119.950 -0.170 0.000 2.234 308 F HA 0.282 4.809 4.527 0.000 0.000 0.296 308 F C 2.618 178.287 175.800 -0.218 0.000 1.089 308 F CA 0.574 58.474 58.000 -0.167 0.000 1.343 308 F CB -1.326 37.601 39.000 -0.121 0.000 1.040 308 F HN 0.139 nan 8.300 nan 0.000 0.498 309 A N -0.229 122.525 122.820 -0.110 0.000 1.933 309 A HA -0.167 4.153 4.320 0.000 0.000 0.218 309 A C 2.008 179.664 177.584 0.119 0.000 1.175 309 A CA 1.291 53.312 52.037 -0.026 0.000 0.628 309 A CB -1.136 17.797 19.000 -0.111 0.000 0.814 309 A HN 0.458 nan 8.150 nan 0.000 0.444 310 W N -0.420 120.912 121.300 0.053 0.000 2.388 310 W HA 0.050 4.710 4.660 0.000 0.000 0.294 310 W C 2.732 179.255 176.519 0.007 0.000 1.212 310 W CA 0.554 57.920 57.345 0.036 0.000 1.271 310 W CB -1.162 28.291 29.460 -0.012 0.000 1.126 310 W HN 0.443 nan 8.180 nan 0.000 0.535 311 A N 0.216 123.133 122.820 0.160 0.000 1.972 311 A HA -0.142 4.178 4.320 0.000 0.000 0.219 311 A C 2.120 179.668 177.584 -0.059 0.000 1.169 311 A CA 1.361 53.414 52.037 0.028 0.000 0.635 311 A CB -0.916 18.063 19.000 -0.035 0.000 0.810 311 A HN 0.251 nan 8.150 nan 0.000 0.446 312 L N -0.825 120.329 121.223 -0.115 0.000 2.240 312 L HA -0.105 4.235 4.340 0.000 0.000 0.211 312 L C 1.770 178.693 176.870 0.089 0.000 1.106 312 L CA 0.883 55.599 54.840 -0.207 0.000 0.793 312 L CB -0.535 41.036 42.059 -0.814 0.000 0.927 312 L HN 0.247 nan 8.230 nan 0.000 0.446 313 D N -0.064 120.491 120.400 0.258 0.000 2.144 313 D HA -0.133 4.507 4.640 0.000 0.000 0.200 313 D C 2.330 178.752 176.300 0.203 0.000 0.978 313 D CA 1.051 55.250 54.000 0.331 0.000 0.833 313 D CB -0.047 40.944 40.800 0.319 0.000 0.961 313 D HN 0.084 nan 8.370 nan 0.000 0.470 314 V N 1.031 121.027 119.914 0.136 0.000 2.427 314 V HA -0.176 3.944 4.120 0.000 0.000 0.248 314 V C 2.420 178.556 176.094 0.071 0.000 1.051 314 V CA 0.833 63.183 62.300 0.084 0.000 1.048 314 V CB -0.405 31.450 31.823 0.054 0.000 0.666 314 V HN 0.129 nan 8.190 nan 0.000 0.456 315 L N 1.227 122.483 121.223 0.055 0.000 2.012 315 L HA -0.130 4.210 4.340 0.000 0.000 0.210 315 L C 2.489 179.419 176.870 0.100 0.000 1.073 315 L CA 2.496 57.351 54.840 0.025 0.000 0.748 315 L CB -1.011 41.016 42.059 -0.053 0.000 0.891 315 L HN 0.219 nan 8.230 nan 0.000 0.431 316 A N -0.732 122.235 122.820 0.246 0.000 1.908 316 A HA -0.282 4.038 4.320 0.000 0.000 0.218 316 A C 2.481 180.174 177.584 0.182 0.000 1.181 316 A CA 2.141 54.376 52.037 0.330 0.000 0.627 316 A CB -0.664 18.605 19.000 0.448 0.000 0.818 316 A HN 0.523 nan 8.150 nan 0.000 0.445 317 K N -0.842 119.641 120.400 0.139 0.000 2.002 317 K HA -0.154 4.166 4.320 0.000 0.000 0.209 317 K C 2.347 178.974 176.600 0.044 0.000 1.048 317 K CA 1.181 57.517 56.287 0.083 0.000 0.930 317 K CB -0.152 32.391 32.500 0.071 0.000 0.714 317 K HN 0.304 nan 8.250 nan 0.000 0.438 318 R N 0.652 121.173 120.500 0.035 0.000 2.081 318 R HA -0.114 4.226 4.340 0.000 0.000 0.235 318 R C 2.359 178.640 176.300 -0.031 0.000 1.131 318 R CA 1.165 57.267 56.100 0.003 0.000 0.960 318 R CB -0.696 29.608 30.300 0.007 0.000 0.856 318 R HN 0.319 nan 8.270 nan 0.000 0.436 319 L N 0.032 121.243 121.223 -0.020 0.000 2.179 319 L HA 0.019 4.359 4.340 0.000 0.000 0.208 319 L C 2.715 179.555 176.870 -0.050 0.000 1.096 319 L CA 0.686 55.496 54.840 -0.049 0.000 0.779 319 L CB -0.422 41.617 42.059 -0.033 0.000 0.922 319 L HN 0.129 nan 8.230 nan 0.000 0.443 320 R N 0.573 121.068 120.500 -0.009 0.000 2.193 320 R HA -0.125 4.215 4.340 0.000 0.000 0.229 320 R C 2.083 178.338 176.300 -0.076 0.000 1.110 320 R CA 1.533 57.624 56.100 -0.015 0.000 0.988 320 R CB 0.065 30.382 30.300 0.028 0.000 0.871 320 R HN 0.427 nan 8.270 nan 0.000 0.458 321 S N -1.074 114.558 115.700 -0.113 0.000 2.556 321 S HA 0.178 4.648 4.470 0.000 0.000 0.216 321 S C 0.761 175.123 174.600 -0.397 0.000 0.970 321 S CA -0.404 57.685 58.200 -0.184 0.000 0.912 321 S CB 0.179 63.319 63.200 -0.100 0.000 0.790 321 S HN 0.092 nan 8.310 nan 0.000 0.504 322 M N 2.344 121.742 119.600 -0.336 0.000 2.233 322 M HA 0.256 4.736 4.480 0.000 0.000 0.350 322 M C -0.707 175.318 176.300 -0.458 0.000 1.176 322 M CA 0.150 55.224 55.300 -0.377 0.000 1.150 322 M CB 0.375 32.820 32.600 -0.258 0.000 1.530 322 M HN 0.269 nan 8.290 nan 0.000 0.459 323 H N 0.984 120.015 119.070 -0.064 0.000 2.581 323 H HA 0.435 4.991 4.556 0.000 0.000 0.308 323 H C -0.949 174.202 175.328 -0.294 0.000 1.040 323 H CA -0.673 55.277 56.048 -0.162 0.000 1.231 323 H CB 0.896 30.688 29.762 0.050 0.000 1.396 323 H HN 0.320 nan 8.280 nan 0.000 0.467 324 V N 5.073 124.759 119.914 -0.380 0.000 2.439 324 V HA 0.283 4.404 4.120 0.000 0.000 0.282 324 V C -0.572 175.159 176.094 -0.605 0.000 1.039 324 V CA -0.432 61.689 62.300 -0.297 0.000 0.913 324 V CB 0.376 32.113 31.823 -0.142 0.000 0.983 324 V HN 0.567 nan 8.190 nan 0.000 0.460 325 F N 4.585 124.589 119.950 0.090 0.000 2.540 325 F HA 0.601 5.128 4.527 0.000 0.000 0.317 325 F C -0.163 175.682 175.800 0.076 0.000 1.104 325 F CA -0.911 57.135 58.000 0.076 0.000 0.913 325 F CB 1.692 40.735 39.000 0.072 0.000 1.170 325 F HN 0.153 nan 8.300 nan 0.000 0.450 326 I N 4.446 125.141 120.570 0.209 0.000 2.336 326 I HA 0.312 4.482 4.170 0.000 0.000 0.292 326 I C -0.686 175.505 176.117 0.124 0.000 0.991 326 I CA -0.707 60.681 61.300 0.147 0.000 1.227 326 I CB 1.254 39.314 38.000 0.100 0.000 1.366 326 I HN 0.386 nan 8.210 nan 0.000 0.466 327 L N 6.708 128.002 121.223 0.119 0.000 2.313 327 L HA 0.466 4.806 4.340 0.000 0.000 0.283 327 L C -0.386 176.480 176.870 -0.007 0.000 1.013 327 L CA -0.255 54.592 54.840 0.011 0.000 0.816 327 L CB 1.337 43.360 42.059 -0.060 0.000 1.236 327 L HN 0.437 nan 8.230 nan 0.000 0.419 328 D N 3.230 123.586 120.400 -0.072 0.000 2.338 328 D HA 0.056 4.696 4.640 0.000 0.000 0.255 328 D C -0.089 176.126 176.300 -0.141 0.000 1.237 328 D CA 0.407 54.384 54.000 -0.037 0.000 0.883 328 D CB 0.409 41.191 40.800 -0.031 0.000 1.087 328 D HN 0.509 nan 8.370 nan 0.000 0.485 329 Y N 1.562 121.843 120.300 -0.031 0.000 2.461 329 Y HA 0.092 4.642 4.550 0.000 0.000 0.277 329 Y C 1.016 176.895 175.900 -0.036 0.000 1.182 329 Y CA -0.179 57.897 58.100 -0.041 0.000 1.276 329 Y CB 0.384 38.800 38.460 -0.075 0.000 1.087 329 Y HN 0.358 nan 8.280 nan 0.000 0.519 330 D N 1.456 121.892 120.400 0.060 0.000 3.134 330 D HA 0.065 4.705 4.640 0.000 0.000 0.248 330 D C -0.042 176.266 176.300 0.014 0.000 1.273 330 D CA 0.092 54.116 54.000 0.040 0.000 0.904 330 D CB -0.328 40.491 40.800 0.032 0.000 1.089 330 D HN 0.527 nan 8.370 nan 0.000 0.478 331 Q N -1.890 117.913 119.800 0.006 0.000 2.878 331 Q HA 0.427 4.767 4.340 0.000 0.000 0.341 331 Q C -0.725 175.274 176.000 -0.003 0.000 0.824 331 Q CA -1.015 54.781 55.803 -0.011 0.000 0.811 331 Q CB 0.216 28.931 28.738 -0.038 0.000 1.364 331 Q HN 0.057 nan 8.270 nan 0.000 0.514 332 S N -0.769 114.924 115.700 -0.012 0.000 2.632 332 S HA 0.318 4.789 4.470 0.000 0.000 0.271 332 S C -2.087 172.506 174.600 -0.013 0.000 1.260 332 S CA -0.926 57.271 58.200 -0.005 0.000 1.010 332 S CB 1.136 64.331 63.200 -0.008 0.000 0.965 332 S HN 0.453 nan 8.310 nan 0.000 0.534 333 P HA -0.133 nan 4.420 nan 0.000 0.217 333 P C 1.470 178.755 177.300 -0.024 0.000 1.151 333 P CA 2.000 65.100 63.100 -0.000 0.000 0.849 333 P CB -0.166 31.540 31.700 0.010 0.000 0.787 334 A N -0.679 122.126 122.820 -0.025 0.000 1.968 334 A HA 0.006 4.326 4.320 0.000 0.000 0.217 334 A C 2.420 179.978 177.584 -0.045 0.000 1.169 334 A CA 1.800 53.817 52.037 -0.033 0.000 0.638 334 A CB -1.663 17.322 19.000 -0.026 0.000 0.812 334 A HN 0.284 nan 8.150 nan 0.000 0.446 335 G N -0.901 107.871 108.800 -0.047 0.000 2.394 335 G HA2 -0.199 3.761 3.960 0.000 0.000 0.215 335 G HA3 -0.199 3.761 3.960 0.000 0.000 0.215 335 G C 1.554 176.397 174.900 -0.095 0.000 1.165 335 G CA 1.244 46.309 45.100 -0.060 0.000 0.784 335 G HN 0.499 nan 8.290 nan 0.000 0.535 336 C N -0.009 119.218 119.300 -0.122 0.000 2.425 336 C HA 0.064 4.524 4.460 0.000 0.000 0.277 336 C C 2.808 177.699 174.990 -0.164 0.000 1.280 336 C CA 0.740 59.626 59.018 -0.220 0.000 1.744 336 C CB -0.719 26.855 27.740 -0.276 0.000 1.989 336 C HN 0.458 nan 8.230 nan 0.000 0.491 337 R N 1.148 121.588 120.500 -0.100 0.000 2.073 337 R HA -0.139 4.201 4.340 0.000 0.000 0.234 337 R C 1.650 177.905 176.300 -0.075 0.000 1.134 337 R CA 1.978 58.032 56.100 -0.076 0.000 0.952 337 R CB -0.629 29.636 30.300 -0.058 0.000 0.850 337 R HN 0.496 nan 8.270 nan 0.000 0.433 338 D N 0.304 120.662 120.400 -0.070 0.000 2.097 338 D HA -0.122 4.518 4.640 0.000 0.000 0.195 338 D C 1.772 178.031 176.300 -0.068 0.000 0.989 338 D CA 1.532 55.495 54.000 -0.061 0.000 0.827 338 D CB -0.328 40.441 40.800 -0.051 0.000 0.966 338 D HN 0.339 nan 8.370 nan 0.000 0.456 339 A N 0.928 123.697 122.820 -0.085 0.000 1.908 339 A HA -0.167 4.153 4.320 0.000 0.000 0.218 339 A C 2.165 179.698 177.584 -0.086 0.000 1.181 339 A CA 1.110 53.094 52.037 -0.088 0.000 0.627 339 A CB -0.752 18.175 19.000 -0.122 0.000 0.818 339 A HN 0.248 nan 8.150 nan 0.000 0.445 340 L N -0.755 120.409 121.223 -0.098 0.000 2.131 340 L HA -0.039 4.301 4.340 0.000 0.000 0.210 340 L C 2.145 178.971 176.870 -0.073 0.000 1.092 340 L CA 1.509 56.303 54.840 -0.077 0.000 0.759 340 L CB -0.440 41.581 42.059 -0.063 0.000 0.903 340 L HN 0.377 nan 8.230 nan 0.000 0.435 341 L N -1.209 119.972 121.223 -0.070 0.000 2.240 341 L HA -0.122 4.218 4.340 0.000 0.000 0.211 341 L C 2.525 179.353 176.870 -0.071 0.000 1.106 341 L CA 0.554 55.353 54.840 -0.067 0.000 0.793 341 L CB -0.328 41.697 42.059 -0.057 0.000 0.927 341 L HN 0.315 nan 8.230 nan 0.000 0.446 342 Q N -0.295 119.466 119.800 -0.066 0.000 2.049 342 Q HA -0.109 4.231 4.340 0.000 0.000 0.198 342 Q C 2.350 178.303 176.000 -0.078 0.000 0.971 342 Q CA 1.294 57.062 55.803 -0.059 0.000 0.833 342 Q CB -0.386 28.326 28.738 -0.042 0.000 0.896 342 Q HN 0.488 nan 8.270 nan 0.000 0.434 343 L N 0.617 121.785 121.223 -0.092 0.000 2.127 343 L HA -0.183 4.157 4.340 0.000 0.000 0.211 343 L C 2.314 179.013 176.870 -0.285 0.000 1.089 343 L CA 1.257 56.008 54.840 -0.147 0.000 0.757 343 L CB -0.784 41.203 42.059 -0.120 0.000 0.899 343 L HN 0.213 nan 8.230 nan 0.000 0.434 344 T N -0.737 113.688 114.554 -0.216 0.000 2.802 344 T HA -0.201 4.149 4.350 0.000 0.000 0.269 344 T C 2.080 176.660 174.700 -0.201 0.000 1.062 344 T CA 1.660 63.629 62.100 -0.218 0.000 1.133 344 T CB -0.101 68.690 68.868 -0.129 0.000 0.852 344 T HN 0.369 nan 8.240 nan 0.000 0.485 345 S N 0.589 116.199 115.700 -0.150 0.000 2.368 345 S HA -0.015 4.455 4.470 0.000 0.000 0.224 345 S C 2.160 176.697 174.600 -0.105 0.000 1.029 345 S CA 1.064 59.202 58.200 -0.103 0.000 0.988 345 S CB -0.455 62.707 63.200 -0.063 0.000 0.838 345 S HN 0.628 nan 8.310 nan 0.000 0.462 346 G N 0.773 109.497 108.800 -0.126 0.000 3.124 346 G HA2 0.264 4.224 3.960 0.000 0.000 0.212 346 G HA3 0.264 4.224 3.960 0.000 0.000 0.212 346 G C 0.200 175.053 174.900 -0.079 0.000 1.181 346 G CA -0.219 44.857 45.100 -0.040 0.000 0.803 346 G HN 0.318 nan 8.290 nan 0.000 0.529 347 M N 0.674 120.111 119.600 -0.270 0.000 2.274 347 M HA 0.268 4.749 4.480 0.000 0.000 0.344 347 M C -0.246 176.004 176.300 -0.084 0.000 1.161 347 M CA -0.418 54.739 55.300 -0.237 0.000 1.126 347 M CB 2.153 34.545 32.600 -0.347 0.000 1.522 347 M HN -0.242 nan 8.290 nan 0.000 0.461 348 V N 2.985 122.864 119.914 -0.058 0.000 2.461 348 V HA 0.155 4.275 4.120 0.000 0.000 0.275 348 V C 0.092 176.173 176.094 -0.021 0.000 1.047 348 V CA -0.420 61.822 62.300 -0.097 0.000 0.955 348 V CB 0.818 32.489 31.823 -0.254 0.000 0.988 348 V HN 0.813 nan 8.190 nan 0.000 0.471 349 Q N 2.113 121.885 119.800 -0.046 0.000 2.169 349 Q HA 0.753 5.093 4.340 0.000 0.000 0.234 349 Q C 0.028 175.981 176.000 -0.077 0.000 0.980 349 Q CA -0.547 55.228 55.803 -0.047 0.000 0.941 349 Q CB 2.123 30.818 28.738 -0.073 0.000 1.199 349 Q HN 0.962 nan 8.270 nan 0.000 0.496 350 T N -2.601 111.898 114.554 -0.093 0.000 2.843 350 T HA 0.438 4.788 4.350 0.000 0.000 0.302 350 T C -1.082 173.526 174.700 -0.154 0.000 1.232 350 T CA -0.861 61.159 62.100 -0.133 0.000 1.009 350 T CB 0.883 69.760 68.868 0.015 0.000 1.254 350 T HN 0.574 nan 8.240 nan 0.000 0.504 351 H N -0.519 118.586 119.070 0.058 0.000 2.495 351 H HA 0.646 5.202 4.556 0.000 0.000 0.350 351 H C 0.666 176.034 175.328 0.067 0.000 1.202 351 H CA -0.573 55.507 56.048 0.053 0.000 1.322 351 H CB 1.308 31.098 29.762 0.046 0.000 1.544 351 H HN 0.713 nan 8.280 nan 0.000 0.565 352 V N -0.640 119.396 119.914 0.203 0.000 3.109 352 V HA 0.194 4.314 4.120 0.000 0.000 0.317 352 V C 0.926 177.109 176.094 0.148 0.000 1.074 352 V CA -0.698 61.699 62.300 0.162 0.000 1.033 352 V CB 1.505 33.409 31.823 0.134 0.000 1.111 352 V HN 0.868 nan 8.190 nan 0.000 0.458 353 T N 1.372 116.012 114.554 0.144 0.000 3.055 353 T HA 0.141 4.491 4.350 0.000 0.000 0.265 353 T C 0.594 175.341 174.700 0.077 0.000 1.111 353 T CA 1.481 63.638 62.100 0.094 0.000 1.118 353 T CB -0.294 68.609 68.868 0.059 0.000 0.909 353 T HN 1.050 nan 8.240 nan 0.000 0.501 354 T N -1.124 113.493 114.554 0.105 0.000 2.843 354 T HA 0.390 4.741 4.350 0.000 0.000 0.302 354 T C -2.549 172.198 174.700 0.079 0.000 1.232 354 T CA -1.455 60.693 62.100 0.081 0.000 1.009 354 T CB 1.715 70.634 68.868 0.086 0.000 1.254 354 T HN -0.327 nan 8.240 nan 0.000 0.504 355 P HA 0.107 nan 4.420 nan 0.000 0.217 355 P C 1.470 178.797 177.300 0.045 0.000 1.151 355 P CA 0.731 63.858 63.100 0.044 0.000 0.828 355 P CB -0.296 31.422 31.700 0.030 0.000 0.788 356 G N -0.728 108.103 108.800 0.053 0.000 3.295 356 G HA2 -0.024 3.936 3.960 0.000 0.000 0.231 356 G HA3 -0.024 3.936 3.960 0.000 0.000 0.231 356 G C 1.008 175.942 174.900 0.056 0.000 1.277 356 G CA 0.086 45.215 45.100 0.048 0.000 1.013 356 G HN 0.162 nan 8.290 nan 0.000 0.509 357 S N 0.012 115.750 115.700 0.063 0.000 2.441 357 S HA 0.098 4.568 4.470 0.000 0.000 0.224 357 S C 2.271 176.801 174.600 -0.116 0.000 1.043 357 S CA -0.244 57.959 58.200 0.005 0.000 0.948 357 S CB 0.075 63.385 63.200 0.184 0.000 0.810 357 S HN 0.266 nan 8.310 nan 0.000 0.504 358 I N 2.598 123.146 120.570 -0.037 0.000 2.091 358 I HA -0.120 4.050 4.170 0.000 0.000 0.239 358 I C -0.836 175.241 176.117 -0.066 0.000 1.061 358 I CA 1.668 62.942 61.300 -0.044 0.000 1.317 358 I CB -2.559 35.433 38.000 -0.012 0.000 1.031 358 I HN 0.167 nan 8.210 nan 0.000 0.401 359 P HA -0.096 nan 4.420 nan 0.000 0.215 359 P C 1.771 179.032 177.300 -0.065 0.000 1.153 359 P CA 1.712 64.786 63.100 -0.044 0.000 0.853 359 P CB -0.159 31.528 31.700 -0.022 0.000 0.788 360 T N -0.309 114.190 114.554 -0.092 0.000 2.684 360 T HA -0.131 4.219 4.350 0.000 0.000 0.267 360 T C 1.789 176.391 174.700 -0.164 0.000 1.036 360 T CA 1.133 63.160 62.100 -0.121 0.000 1.148 360 T CB -0.968 67.804 68.868 -0.159 0.000 0.863 360 T HN 0.069 nan 8.240 nan 0.000 0.436 361 I N 0.486 120.918 120.570 -0.230 0.000 2.226 361 I HA -0.214 3.957 4.170 0.000 0.000 0.245 361 I C 2.799 178.845 176.117 -0.118 0.000 1.100 361 I CA 0.719 61.911 61.300 -0.180 0.000 1.374 361 I CB -0.436 37.466 38.000 -0.164 0.000 1.057 361 I HN 0.353 nan 8.210 nan 0.000 0.413 362 C N 1.025 120.265 119.300 -0.100 0.000 2.413 362 C HA -0.214 4.246 4.460 0.000 0.000 0.278 362 C C 2.541 177.495 174.990 -0.061 0.000 1.224 362 C CA 1.401 60.372 59.018 -0.079 0.000 1.732 362 C CB -0.986 26.719 27.740 -0.058 0.000 2.050 362 C HN 0.534 nan 8.230 nan 0.000 0.463 363 D N 0.285 120.658 120.400 -0.046 0.000 2.123 363 D HA -0.143 4.497 4.640 0.000 0.000 0.196 363 D C 1.852 178.145 176.300 -0.013 0.000 0.992 363 D CA 1.062 55.048 54.000 -0.024 0.000 0.833 363 D CB -0.734 40.057 40.800 -0.015 0.000 0.954 363 D HN 0.390 nan 8.370 nan 0.000 0.455 364 L N 1.195 122.406 121.223 -0.020 0.000 1.971 364 L HA -0.194 4.146 4.340 0.000 0.000 0.215 364 L C 2.221 179.103 176.870 0.020 0.000 1.072 364 L CA 2.302 57.149 54.840 0.011 0.000 0.758 364 L CB -0.905 41.154 42.059 0.000 0.000 0.889 364 L HN 0.007 nan 8.230 nan 0.000 0.433 365 A N -0.593 122.191 122.820 -0.060 0.000 1.877 365 A HA -0.215 4.105 4.320 0.000 0.000 0.216 365 A C 2.407 179.968 177.584 -0.038 0.000 1.186 365 A CA 1.866 53.831 52.037 -0.121 0.000 0.620 365 A CB -0.592 18.270 19.000 -0.230 0.000 0.822 365 A HN 0.540 nan 8.150 nan 0.000 0.443 366 R N -1.028 119.456 120.500 -0.027 0.000 2.115 366 R HA -0.064 4.276 4.340 0.000 0.000 0.230 366 R C 2.055 178.370 176.300 0.024 0.000 1.111 366 R CA 1.694 57.792 56.100 -0.003 0.000 0.976 366 R CB -0.476 29.817 30.300 -0.011 0.000 0.870 366 R HN 0.530 nan 8.270 nan 0.000 0.445 367 T N 0.530 115.106 114.554 0.036 0.000 2.896 367 T HA -0.072 4.278 4.350 0.000 0.000 0.263 367 T C 1.264 175.998 174.700 0.056 0.000 1.050 367 T CA 0.715 62.836 62.100 0.034 0.000 1.140 367 T CB -0.211 68.673 68.868 0.026 0.000 0.877 367 T HN 0.139 nan 8.240 nan 0.000 0.457 368 F N 2.712 122.618 119.950 -0.073 0.000 2.069 368 F HA -0.037 4.490 4.527 0.000 0.000 0.298 368 F C 2.460 178.195 175.800 -0.109 0.000 1.113 368 F CA 1.101 59.045 58.000 -0.092 0.000 1.214 368 F CB -0.830 38.106 39.000 -0.106 0.000 0.978 368 F HN 0.141 nan 8.300 nan 0.000 0.474 369 A N 0.749 123.732 122.820 0.272 0.000 1.883 369 A HA -0.266 4.055 4.320 0.000 0.000 0.217 369 A C 2.434 180.033 177.584 0.025 0.000 1.186 369 A CA 2.014 54.130 52.037 0.131 0.000 0.624 369 A CB -1.027 18.009 19.000 0.060 0.000 0.822 369 A HN 0.511 nan 8.150 nan 0.000 0.444 370 R N -0.394 120.113 120.500 0.011 0.000 2.120 370 R HA -0.168 4.172 4.340 0.000 0.000 0.234 370 R C 2.110 178.383 176.300 -0.045 0.000 1.123 370 R CA 1.903 57.995 56.100 -0.013 0.000 0.975 370 R CB -0.211 30.085 30.300 -0.007 0.000 0.866 370 R HN 0.734 nan 8.270 nan 0.000 0.446 371 E N -0.530 119.621 120.200 -0.081 0.000 2.127 371 E HA -0.049 4.301 4.350 0.000 0.000 0.191 371 E C 1.633 178.130 176.600 -0.172 0.000 0.964 371 E CA 0.590 56.919 56.400 -0.118 0.000 0.832 371 E CB 0.208 29.830 29.700 -0.129 0.000 0.790 371 E HN 0.339 nan 8.360 nan 0.000 0.465 372 M N 0.105 119.540 119.600 -0.275 0.000 2.367 372 M HA 0.223 4.703 4.480 0.000 0.000 0.256 372 M C 0.877 177.038 176.300 -0.231 0.000 1.091 372 M CA 0.017 55.120 55.300 -0.330 0.000 1.049 372 M CB 1.395 33.604 32.600 -0.652 0.000 1.406 372 M HN -0.005 nan 8.290 nan 0.000 0.498 373 G N 0.780 109.502 108.800 -0.130 0.000 2.569 373 G HA2 0.331 4.291 3.960 0.000 0.000 0.249 373 G HA3 0.331 4.291 3.960 0.000 0.000 0.249 373 G C -0.672 174.191 174.900 -0.061 0.000 1.216 373 G CA -0.089 44.971 45.100 -0.067 0.000 0.845 373 G HN 0.306 nan 8.290 nan 0.000 0.568 374 E N 0.000 120.177 120.200 -0.038 0.000 2.725 374 E HA 0.000 4.350 4.350 0.000 0.000 0.291 374 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 374 E CB 0.000 29.678 29.700 -0.036 0.000 0.812 374 E HN 0.000 nan 8.360 nan 0.000 0.440