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 1ykd_1_A DATA FIRST_RESID 58 DATA SEQUENCE VTEVEQKLQI VHQTLSMLDS HGFENILQEM LQSITLKTGE LLGADRTTIF DATA SEQUENCE LLDEEKQELW SIVAAGEGDR SLEIRIPADK GIAGEVATFK QVVNIPFDFY DATA SEQUENCE HDPRSIFAQK QEKITGYRTY TMLALPLLSE QGRLVAVVQL LNKLKPYSPP DATA SEQUENCE DALLAERIDN QGFTSADEQL FQEFAPSIRL ILESSRSFYI ATQKQRAAAA DATA SEQUENCE MMKAVKSLSQ SSLDLEDTLK RVMDEAKELM NADRSTLWLI DRDRHELWTK DATA SEQUENCE ITQDNGSTKE LRVPIGKGFA GIVAASGQKL NIPFDLYDHP DSATAKQIDQ DATA SEQUENCE QNGYRTCSLL CMPVFNGDQE LIGVTQLVNK KKTGEFPPYN PETWPIAPEC DATA SEQUENCE FQASFDRNDE EFMEAFNIQA GVALQNAQLF ATV 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 58 V HA 0.000 nan 4.120 nan 0.000 0.244 58 V C 0.000 176.099 176.094 0.008 0.000 1.182 58 V CA 0.000 62.305 62.300 0.008 0.000 1.235 58 V CB 0.000 31.828 31.823 0.008 0.000 1.184 59 T N -2.669 111.889 114.554 0.006 0.000 3.174 59 T HA 0.348 4.257 4.350 -0.736 0.000 0.269 59 T C 0.577 175.280 174.700 0.006 0.000 1.017 59 T CA 0.490 62.593 62.100 0.006 0.000 0.899 59 T CB 0.345 69.216 68.868 0.004 0.000 1.077 59 T HN 0.518 nan 8.240 nan 0.000 0.552 60 E N 0.345 120.549 120.200 0.006 0.000 2.630 60 E HA 0.210 4.118 4.350 -0.736 0.000 0.218 60 E C 1.363 177.969 176.600 0.010 0.000 0.977 60 E CA -0.093 56.311 56.400 0.007 0.000 1.038 60 E CB 0.719 30.423 29.700 0.006 0.000 1.051 60 E HN 0.241 nan 8.360 nan 0.000 0.487 61 V N 1.811 121.732 119.914 0.011 0.000 2.255 61 V HA -0.272 3.407 4.120 -0.736 0.000 0.247 61 V C 2.203 178.309 176.094 0.020 0.000 1.051 61 V CA 1.816 64.124 62.300 0.013 0.000 1.018 61 V CB -0.265 31.566 31.823 0.013 0.000 0.641 61 V HN 0.251 nan 8.190 nan 0.000 0.445 62 E N -0.226 119.985 120.200 0.018 0.000 2.110 62 E HA -0.234 3.674 4.350 -0.736 0.000 0.193 62 E C 2.209 178.824 176.600 0.024 0.000 0.988 62 E CA 1.181 57.593 56.400 0.021 0.000 0.804 62 E CB -0.350 29.357 29.700 0.012 0.000 0.745 62 E HN 0.636 nan 8.360 nan 0.000 0.458 63 Q N 0.700 120.512 119.800 0.019 0.000 2.123 63 Q HA -0.122 3.776 4.340 -0.736 0.000 0.199 63 Q C 1.708 177.725 176.000 0.028 0.000 0.966 63 Q CA 0.925 56.740 55.803 0.019 0.000 0.845 63 Q CB 0.206 28.951 28.738 0.013 0.000 0.907 63 Q HN 0.025 nan 8.270 nan 0.000 0.439 64 K N 0.592 121.008 120.400 0.027 0.000 2.155 64 K HA -0.034 3.845 4.320 -0.736 0.000 0.203 64 K C 2.240 178.868 176.600 0.047 0.000 1.052 64 K CA 0.451 56.755 56.287 0.028 0.000 0.948 64 K CB -0.230 32.280 32.500 0.016 0.000 0.728 64 K HN 0.276 nan 8.250 nan 0.000 0.448 65 L N 1.028 122.289 121.223 0.063 0.000 2.083 65 L HA -0.206 3.692 4.340 -0.736 0.000 0.209 65 L C 2.542 179.541 176.870 0.216 0.000 1.083 65 L CA 1.262 56.173 54.840 0.120 0.000 0.752 65 L CB -0.318 41.814 42.059 0.122 0.000 0.899 65 L HN 0.231 nan 8.230 nan 0.000 0.433 66 Q N -0.220 119.657 119.800 0.128 0.000 2.119 66 Q HA -0.176 3.723 4.340 -0.736 0.000 0.201 66 Q C 2.317 178.389 176.000 0.120 0.000 0.972 66 Q CA 1.330 57.199 55.803 0.110 0.000 0.847 66 Q CB -0.052 28.706 28.738 0.034 0.000 0.903 66 Q HN 0.538 nan 8.270 nan 0.000 0.433 67 I N -0.180 120.439 120.570 0.081 0.000 2.286 67 I HA -0.251 3.478 4.170 -0.736 0.000 0.248 67 I C 2.081 178.236 176.117 0.063 0.000 1.115 67 I CA 0.721 62.056 61.300 0.060 0.000 1.392 67 I CB -0.139 37.883 38.000 0.037 0.000 1.065 67 I HN 0.049 nan 8.210 nan 0.000 0.418 68 V N 0.268 120.219 119.914 0.062 0.000 2.343 68 V HA -0.316 3.363 4.120 -0.736 0.000 0.247 68 V C 2.307 178.395 176.094 -0.009 0.000 1.051 68 V CA 2.046 64.353 62.300 0.011 0.000 1.036 68 V CB -0.916 30.886 31.823 -0.035 0.000 0.654 68 V HN 0.412 nan 8.190 nan 0.000 0.451 69 H N -0.519 118.568 119.070 0.027 0.000 2.421 69 H HA -0.165 3.952 4.556 -0.732 0.000 0.298 69 H C 2.415 177.763 175.328 0.032 0.000 1.087 69 H CA 1.727 57.794 56.048 0.031 0.000 1.330 69 H CB 0.002 29.780 29.762 0.026 0.000 1.388 69 H HN 0.420 nan 8.280 nan 0.000 0.526 70 Q N -0.925 118.956 119.800 0.136 0.000 2.230 70 Q HA -0.067 3.831 4.340 -0.736 0.000 0.202 70 Q C 2.072 178.100 176.000 0.046 0.000 0.963 70 Q CA 1.401 57.252 55.803 0.081 0.000 0.866 70 Q CB 0.364 29.137 28.738 0.059 0.000 0.931 70 Q HN 0.363 nan 8.270 nan 0.000 0.452 71 T N 0.483 115.060 114.554 0.038 0.000 2.777 71 T HA -0.065 3.843 4.350 -0.736 0.000 0.266 71 T C 1.602 176.309 174.700 0.011 0.000 1.040 71 T CA 0.776 62.886 62.100 0.018 0.000 1.141 71 T CB -0.093 68.806 68.868 0.051 0.000 0.868 71 T HN 0.205 nan 8.240 nan 0.000 0.444 72 L N 1.429 122.670 121.223 0.030 0.000 2.083 72 L HA -0.113 3.786 4.340 -0.736 0.000 0.209 72 L C 2.901 179.815 176.870 0.072 0.000 1.083 72 L CA 1.421 56.286 54.840 0.041 0.000 0.752 72 L CB -0.658 41.409 42.059 0.014 0.000 0.899 72 L HN 0.385 nan 8.230 nan 0.000 0.433 73 S N 0.614 116.363 115.700 0.080 0.000 2.382 73 S HA -0.271 3.758 4.470 -0.736 0.000 0.228 73 S C 1.986 176.656 174.600 0.117 0.000 1.027 73 S CA 1.454 59.721 58.200 0.111 0.000 0.991 73 S CB -0.446 62.810 63.200 0.094 0.000 0.823 73 S HN 0.580 nan 8.310 nan 0.000 0.469 74 M N -0.285 119.333 119.600 0.029 0.000 2.595 74 M HA 0.313 4.352 4.480 -0.736 0.000 0.248 74 M C 1.213 177.456 176.300 -0.096 0.000 1.119 74 M CA 1.039 56.308 55.300 -0.051 0.000 1.079 74 M CB -0.138 32.414 32.600 -0.079 0.000 1.472 74 M HN 0.331 nan 8.290 nan 0.000 0.501 75 L N -1.096 120.104 121.223 -0.038 0.000 2.694 75 L HA 0.317 4.215 4.340 -0.736 0.000 0.228 75 L C 0.177 177.195 176.870 0.245 0.000 1.048 75 L CA -0.358 54.424 54.840 -0.096 0.000 0.887 75 L CB -0.147 41.677 42.059 -0.392 0.000 1.265 75 L HN 0.089 nan 8.230 nan 0.000 0.492 76 D N 0.772 121.298 120.400 0.210 0.000 2.455 76 D HA 0.053 4.251 4.640 -0.736 0.000 0.241 76 D C 0.886 177.256 176.300 0.117 0.000 1.138 76 D CA 0.724 54.821 54.000 0.162 0.000 0.877 76 D CB 1.256 42.119 40.800 0.104 0.000 1.187 76 D HN 0.016 nan 8.370 nan 0.000 0.451 77 S N 0.788 116.513 115.700 0.043 0.000 3.127 77 S HA -0.268 3.760 4.470 -0.736 0.000 0.281 77 S C 0.736 175.236 174.600 -0.168 0.000 1.293 77 S CA 1.022 59.172 58.200 -0.083 0.000 1.156 77 S CB -1.414 61.690 63.200 -0.159 0.000 1.389 77 S HN 0.645 nan 8.310 nan 0.000 0.672 78 H N -0.201 118.949 119.070 0.132 0.000 2.586 78 H HA 0.415 4.526 4.556 -0.741 0.000 0.273 78 H C 1.459 176.783 175.328 -0.007 0.000 0.997 78 H CA 0.674 56.775 56.048 0.089 0.000 1.177 78 H CB 0.599 30.481 29.762 0.201 0.000 1.471 78 H HN 0.552 nan 8.280 nan 0.000 0.538 79 G N 0.542 109.430 108.800 0.146 0.000 2.272 79 G HA2 -0.333 3.186 3.960 -0.736 0.000 0.280 79 G HA3 -0.333 3.186 3.960 -0.736 0.000 0.280 79 G C 0.545 175.468 174.900 0.038 0.000 1.067 79 G CA 0.288 45.431 45.100 0.071 0.000 0.902 79 G HN 0.406 nan 8.290 nan 0.000 0.500 80 F N 0.147 120.130 119.950 0.055 0.000 2.234 80 F HA 0.022 4.250 4.527 -0.499 0.000 0.299 80 F C 2.550 178.372 175.800 0.037 0.000 1.087 80 F CA 1.961 59.976 58.000 0.026 0.000 1.340 80 F CB 0.020 39.008 39.000 -0.020 0.000 1.031 80 F HN 0.455 nan 8.300 nan 0.000 0.500 81 E N -0.041 120.286 120.200 0.212 0.000 2.085 81 E HA -0.230 3.678 4.350 -0.736 0.000 0.194 81 E C 1.896 178.558 176.600 0.104 0.000 0.994 81 E CA 1.324 57.823 56.400 0.165 0.000 0.801 81 E CB -0.238 29.554 29.700 0.152 0.000 0.743 81 E HN 0.410 nan 8.360 nan 0.000 0.453 82 N N 0.752 119.489 118.700 0.062 0.000 2.142 82 N HA -0.097 4.202 4.740 -0.736 0.000 0.186 82 N C 2.015 177.519 175.510 -0.009 0.000 1.023 82 N CA 0.835 53.900 53.050 0.024 0.000 0.852 82 N CB -0.213 38.279 38.487 0.008 0.000 0.998 82 N HN 0.164 nan 8.380 nan 0.000 0.424 83 I N 1.281 121.813 120.570 -0.065 0.000 2.163 83 I HA -0.259 3.469 4.170 -0.736 0.000 0.243 83 I C 2.124 178.216 176.117 -0.042 0.000 1.085 83 I CA 1.018 62.248 61.300 -0.116 0.000 1.347 83 I CB -0.246 37.562 38.000 -0.321 0.000 1.044 83 I HN 0.049 nan 8.210 nan 0.000 0.408 84 L N -0.235 120.998 121.223 0.018 0.000 2.056 84 L HA -0.230 3.669 4.340 -0.736 0.000 0.207 84 L C 2.650 179.546 176.870 0.045 0.000 1.078 84 L CA 1.365 56.239 54.840 0.057 0.000 0.749 84 L CB -0.541 41.585 42.059 0.112 0.000 0.901 84 L HN 0.321 nan 8.230 nan 0.000 0.433 85 Q N 0.142 119.973 119.800 0.051 0.000 2.083 85 Q HA -0.195 3.703 4.340 -0.736 0.000 0.198 85 Q C 2.055 178.067 176.000 0.021 0.000 0.969 85 Q CA 1.309 57.139 55.803 0.045 0.000 0.838 85 Q CB 0.163 28.939 28.738 0.063 0.000 0.900 85 Q HN 0.466 nan 8.270 nan 0.000 0.436 86 E N -0.145 120.062 120.200 0.011 0.000 2.110 86 E HA -0.213 3.695 4.350 -0.736 0.000 0.193 86 E C 1.839 178.437 176.600 -0.003 0.000 0.988 86 E CA 1.222 57.621 56.400 -0.001 0.000 0.804 86 E CB -0.035 29.660 29.700 -0.009 0.000 0.745 86 E HN 0.312 nan 8.360 nan 0.000 0.458 87 M N 0.609 120.208 119.600 -0.002 0.000 2.200 87 M HA -0.076 3.962 4.480 -0.736 0.000 0.265 87 M C 1.963 178.267 176.300 0.006 0.000 1.066 87 M CA 0.991 56.292 55.300 0.001 0.000 1.127 87 M CB -0.130 32.471 32.600 0.001 0.000 1.379 87 M HN 0.085 nan 8.290 nan 0.000 0.420 88 L N 0.128 121.355 121.223 0.007 0.000 2.042 88 L HA -0.205 3.694 4.340 -0.736 0.000 0.210 88 L C 2.391 179.254 176.870 -0.012 0.000 1.076 88 L CA 2.100 56.941 54.840 0.001 0.000 0.749 88 L CB -1.029 41.031 42.059 0.002 0.000 0.893 88 L HN 0.517 nan 8.230 nan 0.000 0.432 89 Q N -1.187 118.605 119.800 -0.013 0.000 2.079 89 Q HA -0.149 3.749 4.340 -0.736 0.000 0.200 89 Q C 2.209 178.194 176.000 -0.025 0.000 0.974 89 Q CA 2.192 57.980 55.803 -0.024 0.000 0.840 89 Q CB -0.198 28.530 28.738 -0.016 0.000 0.898 89 Q HN 0.516 nan 8.270 nan 0.000 0.430 90 S N -0.094 115.598 115.700 -0.013 0.000 2.368 90 S HA -0.074 3.954 4.470 -0.736 0.000 0.224 90 S C 1.837 176.431 174.600 -0.010 0.000 1.029 90 S CA 1.245 59.440 58.200 -0.008 0.000 0.988 90 S CB -0.283 62.919 63.200 0.003 0.000 0.838 90 S HN 0.400 nan 8.310 nan 0.000 0.462 91 I N 1.452 122.022 120.570 0.001 0.000 2.226 91 I HA -0.181 3.548 4.170 -0.736 0.000 0.245 91 I C 2.482 178.542 176.117 -0.095 0.000 1.100 91 I CA 1.128 62.432 61.300 0.008 0.000 1.374 91 I CB -0.693 37.339 38.000 0.052 0.000 1.057 91 I HN 0.260 nan 8.210 nan 0.000 0.413 92 T N 1.139 115.646 114.554 -0.078 0.000 2.746 92 T HA -0.177 3.731 4.350 -0.736 0.000 0.267 92 T C 1.874 176.495 174.700 -0.132 0.000 1.039 92 T CA 1.290 63.327 62.100 -0.105 0.000 1.142 92 T CB -0.357 68.465 68.868 -0.077 0.000 0.866 92 T HN 0.200 nan 8.240 nan 0.000 0.444 93 L N 1.360 122.526 121.223 -0.095 0.000 2.012 93 L HA -0.049 3.850 4.340 -0.736 0.000 0.210 93 L C 2.250 179.056 176.870 -0.106 0.000 1.073 93 L CA 1.879 56.671 54.840 -0.080 0.000 0.748 93 L CB -0.450 41.582 42.059 -0.046 0.000 0.891 93 L HN 0.011 nan 8.230 nan 0.000 0.431 94 K N -1.080 119.242 120.400 -0.130 0.000 2.155 94 K HA -0.080 3.798 4.320 -0.736 0.000 0.203 94 K C 1.863 178.224 176.600 -0.398 0.000 1.052 94 K CA 1.953 58.154 56.287 -0.143 0.000 0.948 94 K CB -0.577 31.916 32.500 -0.011 0.000 0.728 94 K HN 0.406 nan 8.250 nan 0.000 0.448 95 T N -0.492 113.652 114.554 -0.684 0.000 2.737 95 T HA -0.067 3.842 4.350 -0.736 0.000 0.265 95 T C 1.754 176.257 174.700 -0.329 0.000 1.038 95 T CA 1.520 63.072 62.100 -0.914 0.000 1.144 95 T CB -0.747 67.723 68.868 -0.664 0.000 0.866 95 T HN 0.480 nan 8.240 nan 0.000 0.434 96 G N 1.090 109.777 108.800 -0.188 0.000 2.418 96 G HA2 -0.204 3.315 3.960 -0.736 0.000 0.217 96 G HA3 -0.204 3.315 3.960 -0.736 0.000 0.217 96 G C 1.463 176.354 174.900 -0.014 0.000 1.158 96 G CA 0.755 45.818 45.100 -0.062 0.000 0.771 96 G HN 0.506 nan 8.290 nan 0.000 0.545 97 E N -0.512 119.665 120.200 -0.039 0.000 2.051 97 E HA -0.091 3.818 4.350 -0.736 0.000 0.192 97 E C 2.441 179.062 176.600 0.034 0.000 0.991 97 E CA 0.688 57.090 56.400 0.003 0.000 0.799 97 E CB -0.150 29.551 29.700 0.001 0.000 0.748 97 E HN 0.279 nan 8.360 nan 0.000 0.449 98 L N 0.056 121.298 121.223 0.032 0.000 2.156 98 L HA -0.109 3.789 4.340 -0.736 0.000 0.208 98 L C 1.856 178.799 176.870 0.122 0.000 1.095 98 L CA 1.172 56.073 54.840 0.102 0.000 0.770 98 L CB -0.033 42.147 42.059 0.200 0.000 0.914 98 L HN 0.100 nan 8.230 nan 0.000 0.439 99 L N -0.677 120.616 121.223 0.117 0.000 2.558 99 L HA 0.283 4.181 4.340 -0.736 0.000 0.225 99 L C 1.435 178.438 176.870 0.221 0.000 1.128 99 L CA 0.833 55.785 54.840 0.186 0.000 0.868 99 L CB -0.659 41.511 42.059 0.185 0.000 1.006 99 L HN 0.335 nan 8.230 nan 0.000 0.454 100 G N -0.376 108.510 108.800 0.144 0.000 2.198 100 G HA2 -0.196 3.322 3.960 -0.736 0.000 0.257 100 G HA3 -0.196 3.322 3.960 -0.736 0.000 0.257 100 G C 0.360 175.341 174.900 0.134 0.000 1.042 100 G CA 0.125 45.284 45.100 0.099 0.000 0.791 100 G HN 0.605 nan 8.290 nan 0.000 0.502 101 A N -0.589 122.368 122.820 0.227 0.000 2.309 101 A HA 0.666 4.544 4.320 -0.736 0.000 0.298 101 A C 1.023 178.701 177.584 0.155 0.000 1.165 101 A CA 0.722 52.935 52.037 0.293 0.000 0.821 101 A CB 0.699 19.873 19.000 0.290 0.000 1.102 101 A HN 0.355 nan 8.150 nan 0.000 0.500 102 D N 0.942 121.444 120.400 0.170 0.000 2.144 102 D HA -0.039 4.160 4.640 -0.736 0.000 0.200 102 D C 0.606 176.967 176.300 0.102 0.000 0.978 102 D CA 1.490 55.577 54.000 0.144 0.000 0.833 102 D CB 0.192 41.124 40.800 0.220 0.000 0.961 102 D HN 0.577 nan 8.370 nan 0.000 0.470 103 R N -1.349 119.206 120.500 0.092 0.000 2.698 103 R HA 0.539 4.437 4.340 -0.736 0.000 0.275 103 R C -1.241 175.038 176.300 -0.034 0.000 1.001 103 R CA -0.665 55.417 56.100 -0.029 0.000 0.896 103 R CB 2.480 32.666 30.300 -0.190 0.000 1.218 103 R HN -0.120 nan 8.270 nan 0.000 0.462 104 T N 1.083 115.585 114.554 -0.086 0.000 2.921 104 T HA 0.429 4.337 4.350 -0.736 0.000 0.297 104 T C -0.876 173.732 174.700 -0.153 0.000 1.013 104 T CA -0.488 61.546 62.100 -0.109 0.000 0.990 104 T CB 2.116 70.925 68.868 -0.098 0.000 1.023 104 T HN 0.411 nan 8.240 nan 0.000 0.447 105 T N 3.113 117.554 114.554 -0.188 0.000 2.886 105 T HA 0.607 4.515 4.350 -0.736 0.000 0.292 105 T C -0.478 174.041 174.700 -0.302 0.000 1.012 105 T CA -0.572 61.346 62.100 -0.304 0.000 0.982 105 T CB 0.915 69.528 68.868 -0.425 0.000 1.018 105 T HN 0.451 nan 8.240 nan 0.000 0.451 106 I N 3.245 123.613 120.570 -0.336 0.000 2.355 106 I HA 0.412 4.141 4.170 -0.736 0.000 0.288 106 I C -0.949 174.939 176.117 -0.382 0.000 0.999 106 I CA -0.663 60.484 61.300 -0.255 0.000 1.163 106 I CB 0.879 38.784 38.000 -0.158 0.000 1.316 106 I HN 0.476 nan 8.210 nan 0.000 0.454 107 F N 6.355 126.206 119.950 -0.166 0.000 2.408 107 F HA 0.513 4.598 4.527 -0.737 0.000 0.344 107 F C 0.232 175.850 175.800 -0.304 0.000 1.112 107 F CA -0.363 57.500 58.000 -0.228 0.000 1.096 107 F CB 1.168 40.092 39.000 -0.127 0.000 1.129 107 F HN 0.164 nan 8.300 nan 0.000 0.486 108 L N 3.703 124.713 121.223 -0.356 0.000 2.334 108 L HA 0.536 4.434 4.340 -0.736 0.000 0.270 108 L C -0.954 175.807 176.870 -0.182 0.000 1.018 108 L CA -1.311 53.308 54.840 -0.368 0.000 0.811 108 L CB 1.755 43.415 42.059 -0.664 0.000 1.271 108 L HN 0.388 nan 8.230 nan 0.000 0.443 109 L N 1.549 122.778 121.223 0.010 0.000 2.276 109 L HA 0.333 4.231 4.340 -0.736 0.000 0.286 109 L C -0.455 176.560 176.870 0.242 0.000 1.024 109 L CA -0.055 54.855 54.840 0.118 0.000 0.826 109 L CB 0.883 42.976 42.059 0.057 0.000 1.211 109 L HN 0.389 nan 8.230 nan 0.000 0.422 110 D N 3.974 124.587 120.400 0.355 0.000 2.422 110 D HA 0.031 4.229 4.640 -0.736 0.000 0.227 110 D C 1.074 177.460 176.300 0.142 0.000 1.190 110 D CA 0.036 54.199 54.000 0.272 0.000 0.905 110 D CB 0.851 41.790 40.800 0.231 0.000 1.034 110 D HN 0.770 nan 8.370 nan 0.000 0.507 111 E N 2.277 122.541 120.200 0.106 0.000 2.274 111 E HA -0.166 3.742 4.350 -0.736 0.000 0.194 111 E C 1.121 177.748 176.600 0.045 0.000 0.996 111 E CA 0.539 56.976 56.400 0.060 0.000 0.840 111 E CB 0.062 29.790 29.700 0.047 0.000 0.772 111 E HN 0.547 nan 8.360 nan 0.000 0.491 112 E N 1.155 121.384 120.200 0.048 0.000 2.107 112 E HA -0.110 3.798 4.350 -0.736 0.000 0.191 112 E C 1.685 178.303 176.600 0.029 0.000 0.982 112 E CA 0.821 57.241 56.400 0.033 0.000 0.809 112 E CB 0.197 29.914 29.700 0.029 0.000 0.756 112 E HN 0.104 nan 8.360 nan 0.000 0.459 113 K N -0.146 120.274 120.400 0.035 0.000 2.358 113 K HA 0.000 3.879 4.320 -0.736 0.000 0.197 113 K C -0.201 176.420 176.600 0.035 0.000 1.025 113 K CA 0.009 56.313 56.287 0.029 0.000 1.104 113 K CB 0.592 33.104 32.500 0.020 0.000 0.855 113 K HN -0.107 nan 8.250 nan 0.000 0.531 114 Q N 1.449 121.272 119.800 0.039 0.000 2.452 114 Q HA -0.200 3.698 4.340 -0.736 0.000 0.318 114 Q C -1.674 174.346 176.000 0.034 0.000 1.386 114 Q CA 1.088 56.906 55.803 0.026 0.000 0.872 114 Q CB -1.235 27.505 28.738 0.004 0.000 1.151 114 Q HN 0.424 nan 8.270 nan 0.000 0.417 115 E N -0.223 120.025 120.200 0.080 0.000 2.314 115 E HA 0.531 4.439 4.350 -0.736 0.000 0.272 115 E C -0.655 176.057 176.600 0.186 0.000 0.884 115 E CA -1.033 55.434 56.400 0.111 0.000 0.753 115 E CB 1.446 31.227 29.700 0.135 0.000 1.213 115 E HN 0.165 nan 8.360 nan 0.000 0.432 116 L N 3.399 124.693 121.223 0.118 0.000 2.276 116 L HA 0.482 4.381 4.340 -0.736 0.000 0.286 116 L C -0.602 176.494 176.870 0.377 0.000 1.061 116 L CA -0.628 54.286 54.840 0.124 0.000 0.807 116 L CB 0.385 42.314 42.059 -0.215 0.000 1.177 116 L HN 0.465 nan 8.230 nan 0.000 0.429 117 W N 2.201 123.686 121.300 0.309 0.000 2.936 117 W HA 0.571 4.782 4.660 -0.748 0.000 0.338 117 W C -0.699 175.985 176.519 0.275 0.000 1.121 117 W CA -1.369 56.163 57.345 0.311 0.000 1.209 117 W CB 1.126 30.681 29.460 0.159 0.000 1.420 117 W HN 0.531 nan 8.180 nan 0.000 0.516 118 S N 2.135 117.936 115.700 0.167 0.000 2.439 118 S HA 0.195 4.223 4.470 -0.736 0.000 0.282 118 S C 0.349 174.855 174.600 -0.158 0.000 1.170 118 S CA -0.479 57.558 58.200 -0.272 0.000 1.054 118 S CB 1.523 64.473 63.200 -0.417 0.000 0.956 118 S HN 0.463 nan 8.310 nan 0.000 0.490 119 I N 4.255 124.588 120.570 -0.395 0.000 2.500 119 I HA 0.184 3.913 4.170 -0.736 0.000 0.252 119 I C -0.062 176.000 176.117 -0.093 0.000 1.142 119 I CA 0.762 61.928 61.300 -0.223 0.000 1.451 119 I CB 0.181 37.980 38.000 -0.335 0.000 1.093 119 I HN 0.606 nan 8.210 nan 0.000 0.430 120 V N 1.329 121.145 119.914 -0.162 0.000 2.686 120 V HA 0.831 4.510 4.120 -0.736 0.000 0.306 120 V C -0.685 175.294 176.094 -0.192 0.000 1.065 120 V CA -0.298 61.925 62.300 -0.129 0.000 0.894 120 V CB 1.221 32.978 31.823 -0.110 0.000 1.004 120 V HN 0.203 nan 8.190 nan 0.000 0.424 121 A N 3.371 126.100 122.820 -0.152 0.000 2.480 121 A HA 0.861 4.739 4.320 -0.736 0.000 0.289 121 A C -0.237 177.266 177.584 -0.135 0.000 1.044 121 A CA -0.042 51.884 52.037 -0.185 0.000 0.761 121 A CB 1.290 20.165 19.000 -0.209 0.000 1.289 121 A HN 1.662 nan 8.150 nan 0.000 0.401 122 A N 1.575 124.306 122.820 -0.148 0.000 2.520 122 A HA 0.577 4.455 4.320 -0.736 0.000 0.245 122 A C 0.831 178.330 177.584 -0.141 0.000 1.072 122 A CA 0.803 52.763 52.037 -0.130 0.000 0.761 122 A CB -0.022 18.896 19.000 -0.138 0.000 1.004 122 A HN 2.006 nan 8.150 nan 0.000 0.499 123 G N 0.749 109.494 108.800 -0.092 0.000 2.932 123 G HA2 0.533 4.051 3.960 -0.736 0.000 0.283 123 G HA3 0.533 4.051 3.960 -0.736 0.000 0.283 123 G C -0.557 174.316 174.900 -0.044 0.000 1.336 123 G CA -0.579 44.478 45.100 -0.072 0.000 1.056 123 G HN 0.859 nan 8.290 nan 0.000 0.522 124 E N -0.764 119.428 120.200 -0.013 0.000 2.338 124 E HA 0.424 4.332 4.350 -0.736 0.000 0.272 124 E C 1.092 177.699 176.600 0.011 0.000 1.029 124 E CA 0.699 57.108 56.400 0.015 0.000 0.872 124 E CB 0.421 30.143 29.700 0.036 0.000 1.015 124 E HN 1.225 nan 8.360 nan 0.000 0.417 125 G N 4.442 113.250 108.800 0.014 0.000 2.179 125 G HA2 -0.308 3.210 3.960 -0.736 0.000 0.257 125 G HA3 -0.308 3.210 3.960 -0.736 0.000 0.257 125 G C -0.067 174.834 174.900 0.003 0.000 1.010 125 G CA 0.185 45.291 45.100 0.010 0.000 0.736 125 G HN 0.861 nan 8.290 nan 0.000 0.513 126 D N -1.744 118.655 120.400 -0.003 0.000 2.751 126 D HA -0.172 4.027 4.640 -0.736 0.000 0.233 126 D C 0.621 176.915 176.300 -0.010 0.000 1.149 126 D CA 1.765 55.759 54.000 -0.010 0.000 0.682 126 D CB -0.682 40.114 40.800 -0.006 0.000 1.068 126 D HN 0.840 nan 8.370 nan 0.000 0.429 127 R N 0.285 120.779 120.500 -0.009 0.000 2.435 127 R HA 0.404 4.303 4.340 -0.736 0.000 0.308 127 R C -0.134 176.159 176.300 -0.012 0.000 0.975 127 R CA -0.466 55.630 56.100 -0.007 0.000 0.867 127 R CB 1.340 31.640 30.300 0.000 0.000 1.171 127 R HN 0.076 nan 8.270 nan 0.000 0.470 128 S N 3.641 119.332 115.700 -0.014 0.000 2.585 128 S HA 0.577 4.606 4.470 -0.736 0.000 0.277 128 S C 0.108 174.703 174.600 -0.009 0.000 1.241 128 S CA -0.810 57.376 58.200 -0.023 0.000 1.041 128 S CB 1.306 64.488 63.200 -0.030 0.000 0.987 128 S HN 0.356 nan 8.310 nan 0.000 0.512 129 L N 0.763 121.978 121.223 -0.013 0.000 2.301 129 L HA 0.580 4.478 4.340 -0.736 0.000 0.264 129 L C 0.116 176.998 176.870 0.021 0.000 1.016 129 L CA -0.832 54.014 54.840 0.010 0.000 0.821 129 L CB 1.622 43.688 42.059 0.012 0.000 1.346 129 L HN 0.729 nan 8.230 nan 0.000 0.429 130 E N 1.500 121.735 120.200 0.058 0.000 2.115 130 E HA 0.416 4.324 4.350 -0.736 0.000 0.282 130 E C -1.140 175.536 176.600 0.127 0.000 0.987 130 E CA -0.491 55.973 56.400 0.107 0.000 0.797 130 E CB 1.010 30.800 29.700 0.151 0.000 1.086 130 E HN 0.359 nan 8.360 nan 0.000 0.397 131 I N 4.392 125.046 120.570 0.140 0.000 2.396 131 I HA 0.357 4.086 4.170 -0.736 0.000 0.292 131 I C 0.271 176.611 176.117 0.371 0.000 0.999 131 I CA -0.341 61.096 61.300 0.228 0.000 1.310 131 I CB 1.207 39.353 38.000 0.243 0.000 1.404 131 I HN 0.398 nan 8.210 nan 0.000 0.496 132 R N 7.427 128.123 120.500 0.327 0.000 2.515 132 R HA 0.676 4.574 4.340 -0.736 0.000 0.291 132 R C -1.470 174.985 176.300 0.258 0.000 1.046 132 R CA -0.486 55.807 56.100 0.322 0.000 0.914 132 R CB 1.528 31.973 30.300 0.241 0.000 1.191 132 R HN 0.744 nan 8.270 nan 0.000 0.435 133 I N 0.168 120.869 120.570 0.218 0.000 3.074 133 I HA 0.706 4.434 4.170 -0.736 0.000 0.310 133 I C -2.725 173.425 176.117 0.054 0.000 1.153 133 I CA -3.280 58.127 61.300 0.179 0.000 0.993 133 I CB 2.615 40.737 38.000 0.204 0.000 1.237 133 I HN 0.376 nan 8.210 nan 0.000 0.443 134 P HA 0.118 nan 4.420 nan 0.000 0.268 134 P C 0.284 177.503 177.300 -0.136 0.000 1.205 134 P CA -0.066 62.995 63.100 -0.065 0.000 0.771 134 P CB 1.054 32.697 31.700 -0.095 0.000 0.858 135 A N 3.190 125.954 122.820 -0.094 0.000 2.172 135 A HA -0.132 3.746 4.320 -0.736 0.000 0.216 135 A C 1.427 178.918 177.584 -0.154 0.000 1.154 135 A CA 1.397 53.365 52.037 -0.115 0.000 0.701 135 A CB -0.833 18.128 19.000 -0.064 0.000 0.789 135 A HN 0.653 nan 8.150 nan 0.000 0.465 136 D N -1.310 118.991 120.400 -0.164 0.000 2.349 136 D HA 0.034 4.232 4.640 -0.736 0.000 0.214 136 D C 0.084 176.254 176.300 -0.217 0.000 1.063 136 D CA 0.138 54.039 54.000 -0.165 0.000 0.847 136 D CB 0.167 40.892 40.800 -0.126 0.000 0.933 136 D HN 0.062 nan 8.370 nan 0.000 0.513 137 K N 0.877 121.066 120.400 -0.351 0.000 2.118 137 K HA 0.534 4.412 4.320 -0.736 0.000 0.254 137 K C 0.800 177.094 176.600 -0.509 0.000 0.961 137 K CA -0.096 55.837 56.287 -0.589 0.000 0.876 137 K CB 1.765 33.537 32.500 -1.212 0.000 1.077 137 K HN 0.236 nan 8.250 nan 0.000 0.440 138 G N 1.511 110.098 108.800 -0.355 0.000 2.828 138 G HA2 -0.232 3.286 3.960 -0.736 0.000 0.463 138 G HA3 -0.232 3.286 3.960 -0.736 0.000 0.463 138 G C 0.741 175.659 174.900 0.030 0.000 1.394 138 G CA -0.498 44.599 45.100 -0.005 0.000 0.862 138 G HN 0.405 nan 8.290 nan 0.000 0.540 139 I N 0.678 121.321 120.570 0.121 0.000 2.286 139 I HA -0.178 3.550 4.170 -0.736 0.000 0.248 139 I C 3.314 179.425 176.117 -0.010 0.000 1.115 139 I CA 2.602 63.942 61.300 0.066 0.000 1.392 139 I CB -1.941 36.086 38.000 0.045 0.000 1.065 139 I HN 0.879 nan 8.210 nan 0.000 0.418 140 A N 1.144 123.927 122.820 -0.062 0.000 1.908 140 A HA -0.143 3.735 4.320 -0.736 0.000 0.218 140 A C 2.522 180.000 177.584 -0.176 0.000 1.181 140 A CA 2.032 53.966 52.037 -0.171 0.000 0.627 140 A CB -1.350 17.372 19.000 -0.464 0.000 0.818 140 A HN 0.433 nan 8.150 nan 0.000 0.445 141 G N -0.877 107.814 108.800 -0.183 0.000 2.422 141 G HA2 -0.215 3.303 3.960 -0.736 0.000 0.218 141 G HA3 -0.215 3.303 3.960 -0.736 0.000 0.218 141 G C 1.456 176.305 174.900 -0.086 0.000 1.140 141 G CA 1.028 46.030 45.100 -0.163 0.000 0.775 141 G HN 0.674 nan 8.290 nan 0.000 0.545 142 E N -0.033 120.162 120.200 -0.008 0.000 2.077 142 E HA -0.107 3.801 4.350 -0.736 0.000 0.193 142 E C 2.609 179.287 176.600 0.130 0.000 0.989 142 E CA 1.082 57.559 56.400 0.128 0.000 0.800 142 E CB -0.038 29.750 29.700 0.146 0.000 0.746 142 E HN 0.271 nan 8.360 nan 0.000 0.452 143 V N 1.119 121.059 119.914 0.043 0.000 2.358 143 V HA -0.225 3.453 4.120 -0.736 0.000 0.246 143 V C 2.443 178.534 176.094 -0.005 0.000 1.047 143 V CA 1.649 63.967 62.300 0.030 0.000 1.035 143 V CB -0.708 31.112 31.823 -0.005 0.000 0.658 143 V HN 0.413 nan 8.190 nan 0.000 0.452 144 A N -0.138 122.650 122.820 -0.053 0.000 1.940 144 A HA -0.238 3.640 4.320 -0.736 0.000 0.219 144 A C 2.390 179.902 177.584 -0.120 0.000 1.176 144 A CA 2.687 54.677 52.037 -0.078 0.000 0.631 144 A CB -0.846 18.093 19.000 -0.102 0.000 0.814 144 A HN 0.524 nan 8.150 nan 0.000 0.446 145 T N -1.253 113.181 114.554 -0.200 0.000 2.770 145 T HA 0.048 3.957 4.350 -0.736 0.000 0.258 145 T C 1.205 175.616 174.700 -0.482 0.000 1.039 145 T CA 1.437 63.276 62.100 -0.435 0.000 1.143 145 T CB -0.296 68.131 68.868 -0.734 0.000 0.866 145 T HN 0.417 nan 8.240 nan 0.000 0.428 146 F N 0.904 120.841 119.950 -0.020 0.000 2.721 146 F HA 0.412 4.498 4.527 -0.735 0.000 0.301 146 F C 0.930 176.725 175.800 -0.010 0.000 1.096 146 F CA -0.407 57.585 58.000 -0.013 0.000 1.308 146 F CB -0.238 38.755 39.000 -0.012 0.000 1.086 146 F HN -0.061 nan 8.300 nan 0.000 0.587 147 K N 0.877 121.347 120.400 0.115 0.000 3.071 147 K HA -0.193 3.685 4.320 -0.736 0.000 0.265 147 K C -0.561 176.084 176.600 0.075 0.000 1.060 147 K CA 0.211 56.539 56.287 0.068 0.000 0.767 147 K CB -1.414 31.113 32.500 0.044 0.000 1.241 147 K HN 0.240 nan 8.250 nan 0.000 0.486 148 Q N 0.003 119.855 119.800 0.088 0.000 2.301 148 Q HA 0.399 4.297 4.340 -0.736 0.000 0.267 148 Q C 0.241 176.257 176.000 0.028 0.000 1.035 148 Q CA -0.844 54.992 55.803 0.055 0.000 0.856 148 Q CB 1.709 30.478 28.738 0.051 0.000 1.337 148 Q HN 0.046 nan 8.270 nan 0.000 0.450 149 V N 1.536 121.456 119.914 0.010 0.000 2.585 149 V HA 0.083 3.761 4.120 -0.736 0.000 0.296 149 V C 0.046 176.132 176.094 -0.014 0.000 1.035 149 V CA -0.054 62.236 62.300 -0.017 0.000 1.084 149 V CB 0.851 32.663 31.823 -0.018 0.000 0.953 149 V HN 0.437 nan 8.190 nan 0.000 0.483 150 V N 5.305 125.201 119.914 -0.031 0.000 2.378 150 V HA 0.380 4.058 4.120 -0.736 0.000 0.288 150 V C 0.060 176.131 176.094 -0.038 0.000 1.016 150 V CA -0.695 61.592 62.300 -0.022 0.000 0.840 150 V CB 1.627 33.441 31.823 -0.014 0.000 0.994 150 V HN 0.881 nan 8.190 nan 0.000 0.431 151 N N 5.651 124.347 118.700 -0.005 0.000 2.469 151 N HA 0.364 4.663 4.740 -0.736 0.000 0.253 151 N C -1.017 174.521 175.510 0.047 0.000 0.970 151 N CA -0.490 52.573 53.050 0.021 0.000 0.940 151 N CB 1.181 39.697 38.487 0.048 0.000 1.128 151 N HN 0.439 nan 8.380 nan 0.000 0.503 152 I N 5.819 126.414 120.570 0.041 0.000 2.307 152 I HA 0.334 4.063 4.170 -0.736 0.000 0.289 152 I C -1.957 174.235 176.117 0.124 0.000 1.021 152 I CA -2.143 59.194 61.300 0.063 0.000 1.224 152 I CB 0.902 38.873 38.000 -0.048 0.000 1.376 152 I HN 0.282 nan 8.210 nan 0.000 0.470 153 P HA 0.107 nan 4.420 nan 0.000 0.274 153 P C -0.317 177.110 177.300 0.211 0.000 1.246 153 P CA -0.469 62.733 63.100 0.170 0.000 0.795 153 P CB 0.740 32.530 31.700 0.150 0.000 1.006 154 F N 1.695 121.694 119.950 0.081 0.000 2.612 154 F HA 0.023 4.108 4.527 -0.737 0.000 0.389 154 F C 0.514 176.369 175.800 0.093 0.000 1.055 154 F CA 0.698 58.747 58.000 0.081 0.000 1.232 154 F CB 0.002 39.021 39.000 0.031 0.000 1.044 154 F HN 0.165 nan 8.300 nan 0.000 0.560 155 D N 6.087 126.262 120.400 -0.373 0.000 2.308 155 D HA 0.056 4.255 4.640 -0.736 0.000 0.242 155 D C 0.655 176.821 176.300 -0.223 0.000 1.059 155 D CA -0.524 53.008 54.000 -0.779 0.000 0.830 155 D CB 0.874 40.825 40.800 -1.416 0.000 1.161 155 D HN 0.467 nan 8.370 nan 0.000 0.494 156 F N 4.472 124.306 119.950 -0.193 0.000 2.154 156 F HA -0.237 3.849 4.527 -0.736 0.000 0.301 156 F C 1.022 176.881 175.800 0.100 0.000 1.087 156 F CA 1.478 59.480 58.000 0.004 0.000 1.274 156 F CB -0.396 38.647 39.000 0.071 0.000 1.009 156 F HN 0.458 nan 8.300 nan 0.000 0.485 157 Y N -0.182 119.903 120.300 -0.358 0.000 2.497 157 Y HA -0.129 3.979 4.550 -0.737 0.000 0.292 157 Y C 2.456 178.239 175.900 -0.195 0.000 1.137 157 Y CA 1.166 59.021 58.100 -0.409 0.000 1.285 157 Y CB -1.497 36.743 38.460 -0.366 0.000 0.991 157 Y HN 0.378 nan 8.280 nan 0.000 0.556 158 H N -1.796 117.269 119.070 -0.008 0.000 2.548 158 H HA -0.013 4.101 4.556 -0.736 0.000 0.268 158 H C 0.413 175.731 175.328 -0.017 0.000 0.975 158 H CA -0.101 55.934 56.048 -0.022 0.000 1.195 158 H CB 0.397 30.146 29.762 -0.021 0.000 1.397 158 H HN 0.045 nan 8.280 nan 0.000 0.572 159 D N 1.385 121.842 120.400 0.095 0.000 2.308 159 D HA 0.005 4.204 4.640 -0.736 0.000 0.251 159 D C -1.481 174.814 176.300 -0.009 0.000 1.127 159 D CA -2.210 51.835 54.000 0.075 0.000 0.876 159 D CB 1.671 42.571 40.800 0.168 0.000 1.176 159 D HN 0.117 nan 8.370 nan 0.000 0.446 160 P HA -0.068 nan 4.420 nan 0.000 0.225 160 P C 0.913 178.202 177.300 -0.019 0.000 1.148 160 P CA 0.588 63.674 63.100 -0.023 0.000 0.779 160 P CB 0.345 32.043 31.700 -0.004 0.000 0.780 161 R N 0.413 120.930 120.500 0.028 0.000 2.285 161 R HA -0.003 3.896 4.340 -0.736 0.000 0.213 161 R C 2.194 178.528 176.300 0.056 0.000 1.068 161 R CA 1.312 57.458 56.100 0.076 0.000 1.004 161 R CB -0.530 29.861 30.300 0.153 0.000 0.873 161 R HN 0.309 nan 8.270 nan 0.000 0.467 162 S N 0.020 115.621 115.700 -0.166 0.000 2.593 162 S HA 0.050 4.079 4.470 -0.736 0.000 0.217 162 S C 1.813 176.172 174.600 -0.402 0.000 0.966 162 S CA -0.025 57.827 58.200 -0.580 0.000 0.914 162 S CB -0.047 62.368 63.200 -1.308 0.000 0.776 162 S HN 0.071 nan 8.310 nan 0.000 0.523 163 I N 1.362 121.812 120.570 -0.200 0.000 2.208 163 I HA -0.111 3.617 4.170 -0.736 0.000 0.245 163 I C 2.127 178.188 176.117 -0.093 0.000 1.097 163 I CA 1.239 62.439 61.300 -0.166 0.000 1.363 163 I CB -1.382 36.573 38.000 -0.076 0.000 1.051 163 I HN 0.388 nan 8.210 nan 0.000 0.413 164 F N 2.023 121.905 119.950 -0.113 0.000 2.134 164 F HA -0.190 3.894 4.527 -0.737 0.000 0.299 164 F C 2.505 178.274 175.800 -0.052 0.000 1.097 164 F CA 1.709 59.674 58.000 -0.059 0.000 1.264 164 F CB -0.270 38.721 39.000 -0.015 0.000 1.001 164 F HN 0.029 nan 8.300 nan 0.000 0.479 165 A N -0.079 122.728 122.820 -0.023 0.000 1.933 165 A HA -0.212 3.666 4.320 -0.736 0.000 0.218 165 A C 2.150 179.615 177.584 -0.198 0.000 1.175 165 A CA 1.702 53.716 52.037 -0.038 0.000 0.628 165 A CB -0.819 18.335 19.000 0.257 0.000 0.814 165 A HN 0.604 nan 8.150 nan 0.000 0.444 166 Q N -0.374 119.183 119.800 -0.403 0.000 2.124 166 Q HA -0.172 3.726 4.340 -0.736 0.000 0.202 166 Q C 2.017 177.847 176.000 -0.283 0.000 0.977 166 Q CA 1.605 57.100 55.803 -0.512 0.000 0.850 166 Q CB -0.183 28.128 28.738 -0.712 0.000 0.901 166 Q HN 0.643 nan 8.270 nan 0.000 0.429 167 K N 0.198 120.435 120.400 -0.272 0.000 2.097 167 K HA -0.126 3.752 4.320 -0.736 0.000 0.205 167 K C 2.137 178.605 176.600 -0.220 0.000 1.050 167 K CA 0.887 57.040 56.287 -0.224 0.000 0.938 167 K CB 0.084 32.448 32.500 -0.227 0.000 0.718 167 K HN 0.186 nan 8.250 nan 0.000 0.442 168 Q N 0.661 120.280 119.800 -0.301 0.000 2.167 168 Q HA -0.191 3.707 4.340 -0.736 0.000 0.202 168 Q C 1.975 177.935 176.000 -0.068 0.000 0.970 168 Q CA 1.138 56.811 55.803 -0.217 0.000 0.855 168 Q CB -0.063 28.511 28.738 -0.273 0.000 0.911 168 Q HN 0.486 nan 8.270 nan 0.000 0.438 169 E N 1.138 121.320 120.200 -0.030 0.000 2.085 169 E HA -0.203 3.705 4.350 -0.736 0.000 0.194 169 E C 1.592 178.205 176.600 0.021 0.000 0.994 169 E CA 0.932 57.360 56.400 0.046 0.000 0.801 169 E CB 0.202 29.959 29.700 0.095 0.000 0.743 169 E HN 0.040 nan 8.360 nan 0.000 0.453 170 K N 0.292 120.680 120.400 -0.019 0.000 2.152 170 K HA -0.141 3.737 4.320 -0.736 0.000 0.206 170 K C 2.155 178.753 176.600 -0.004 0.000 1.048 170 K CA 1.161 57.439 56.287 -0.015 0.000 0.933 170 K CB -0.230 32.248 32.500 -0.037 0.000 0.721 170 K HN 0.382 nan 8.250 nan 0.000 0.447 171 I N 0.581 121.146 120.570 -0.009 0.000 2.339 171 I HA -0.187 3.541 4.170 -0.736 0.000 0.245 171 I C 2.415 178.548 176.117 0.026 0.000 1.096 171 I CA 1.461 62.763 61.300 0.003 0.000 1.408 171 I CB -0.455 37.540 38.000 -0.009 0.000 1.092 171 I HN 0.167 nan 8.210 nan 0.000 0.423 172 T N -1.940 112.640 114.554 0.044 0.000 3.043 172 T HA 0.156 4.064 4.350 -0.736 0.000 0.263 172 T C 1.737 176.495 174.700 0.097 0.000 1.094 172 T CA 0.620 62.764 62.100 0.073 0.000 1.127 172 T CB 0.024 68.952 68.868 0.100 0.000 0.905 172 T HN 0.520 nan 8.240 nan 0.000 0.490 173 G N 0.458 109.312 108.800 0.089 0.000 2.168 173 G HA2 -0.294 3.224 3.960 -0.736 0.000 0.263 173 G HA3 -0.294 3.224 3.960 -0.736 0.000 0.263 173 G C -0.147 174.831 174.900 0.129 0.000 0.977 173 G CA 0.354 45.506 45.100 0.087 0.000 0.659 173 G HN 0.746 nan 8.290 nan 0.000 0.533 174 Y N 0.412 120.731 120.300 0.032 0.000 2.334 174 Y HA 0.727 4.836 4.550 -0.734 0.000 0.328 174 Y C 0.391 176.307 175.900 0.028 0.000 1.130 174 Y CA -1.676 56.446 58.100 0.037 0.000 1.163 174 Y CB 1.153 39.643 38.460 0.050 0.000 1.207 174 Y HN 0.220 nan 8.280 nan 0.000 0.471 175 R N 2.783 122.876 120.500 -0.678 0.000 2.360 175 R HA 0.415 4.313 4.340 -0.736 0.000 0.318 175 R C -1.548 174.327 176.300 -0.707 0.000 0.950 175 R CA -0.353 55.399 56.100 -0.580 0.000 0.837 175 R CB 0.793 30.739 30.300 -0.589 0.000 1.165 175 R HN 0.681 nan 8.270 nan 0.000 0.458 176 T N 5.999 120.348 114.554 -0.343 0.000 2.733 176 T HA 0.238 4.146 4.350 -0.736 0.000 0.294 176 T C 0.135 174.710 174.700 -0.208 0.000 0.956 176 T CA -0.092 61.983 62.100 -0.042 0.000 0.987 176 T CB 0.338 69.423 68.868 0.362 0.000 0.920 176 T HN 0.545 nan 8.240 nan 0.000 0.470 177 Y N 1.934 122.216 120.300 -0.030 0.000 2.396 177 Y HA 0.174 4.282 4.550 -0.736 0.000 0.292 177 Y C 1.890 177.842 175.900 0.086 0.000 1.128 177 Y CA -0.044 58.034 58.100 -0.037 0.000 1.194 177 Y CB 0.420 38.908 38.460 0.047 0.000 1.124 177 Y HN 0.578 nan 8.280 nan 0.000 0.543 178 T N -1.708 113.010 114.554 0.274 0.000 2.883 178 T HA 0.637 4.545 4.350 -0.736 0.000 0.296 178 T C -0.830 174.006 174.700 0.227 0.000 1.117 178 T CA -0.820 61.408 62.100 0.213 0.000 1.006 178 T CB 2.561 71.534 68.868 0.176 0.000 1.191 178 T HN 0.076 nan 8.240 nan 0.000 0.508 179 M N 2.154 121.881 119.600 0.212 0.000 2.414 179 M HA 0.639 4.677 4.480 -0.736 0.000 0.287 179 M C -2.528 173.760 176.300 -0.020 0.000 1.181 179 M CA -1.068 54.272 55.300 0.067 0.000 0.933 179 M CB 2.262 34.712 32.600 -0.250 0.000 1.732 179 M HN 0.743 nan 8.290 nan 0.000 0.486 180 L N 4.112 125.110 121.223 -0.375 0.000 2.372 180 L HA 0.904 4.802 4.340 -0.736 0.000 0.274 180 L C -1.465 175.184 176.870 -0.368 0.000 0.988 180 L CA -0.003 54.591 54.840 -0.410 0.000 0.833 180 L CB 1.580 43.224 42.059 -0.691 0.000 1.236 180 L HN 0.751 nan 8.230 nan 0.000 0.410 181 A N 5.941 128.620 122.820 -0.235 0.000 2.318 181 A HA 0.868 4.747 4.320 -0.736 0.000 0.317 181 A C -1.482 175.995 177.584 -0.178 0.000 1.159 181 A CA -0.421 51.502 52.037 -0.191 0.000 0.799 181 A CB 0.848 19.783 19.000 -0.108 0.000 1.194 181 A HN 0.634 nan 8.150 nan 0.000 0.479 182 L N 3.911 125.003 121.223 -0.219 0.000 2.386 182 L HA 0.580 4.479 4.340 -0.736 0.000 0.271 182 L C -2.424 174.392 176.870 -0.091 0.000 0.993 182 L CA -1.750 52.972 54.840 -0.197 0.000 0.819 182 L CB 2.677 44.484 42.059 -0.421 0.000 1.294 182 L HN 0.466 nan 8.230 nan 0.000 0.414 183 P HA 0.236 nan 4.420 nan 0.000 0.285 183 P C -1.105 176.238 177.300 0.071 0.000 1.259 183 P CA -0.447 62.666 63.100 0.022 0.000 0.794 183 P CB 1.739 33.455 31.700 0.027 0.000 0.940 184 L N 4.601 125.874 121.223 0.083 0.000 2.272 184 L HA 0.400 4.298 4.340 -0.736 0.000 0.289 184 L C -0.275 176.633 176.870 0.063 0.000 1.032 184 L CA -0.217 54.689 54.840 0.109 0.000 0.810 184 L CB 0.369 42.501 42.059 0.122 0.000 1.205 184 L HN 0.277 nan 8.230 nan 0.000 0.422 185 L N 2.808 124.065 121.223 0.056 0.000 2.354 185 L HA 0.635 4.534 4.340 -0.736 0.000 0.269 185 L C 0.486 177.373 176.870 0.028 0.000 1.005 185 L CA -0.723 54.139 54.840 0.037 0.000 0.819 185 L CB 2.116 44.196 42.059 0.035 0.000 1.311 185 L HN 0.667 nan 8.230 nan 0.000 0.423 186 S N 0.003 115.715 115.700 0.020 0.000 2.633 186 S HA 0.160 4.189 4.470 -0.736 0.000 0.257 186 S C 0.828 175.435 174.600 0.012 0.000 1.265 186 S CA -0.504 57.704 58.200 0.013 0.000 0.980 186 S CB 0.803 64.009 63.200 0.010 0.000 1.017 186 S HN 0.621 nan 8.310 nan 0.000 0.577 187 E N 0.783 120.987 120.200 0.007 0.000 2.110 187 E HA -0.154 3.754 4.350 -0.736 0.000 0.193 187 E C 2.113 178.717 176.600 0.007 0.000 0.988 187 E CA 1.446 57.849 56.400 0.006 0.000 0.804 187 E CB -0.618 29.084 29.700 0.002 0.000 0.745 187 E HN 0.775 nan 8.360 nan 0.000 0.458 188 Q N -0.735 119.068 119.800 0.006 0.000 2.297 188 Q HA 0.109 4.008 4.340 -0.736 0.000 0.204 188 Q C 1.271 177.276 176.000 0.008 0.000 0.962 188 Q CA 1.088 56.894 55.803 0.006 0.000 0.879 188 Q CB 0.278 29.018 28.738 0.003 0.000 0.947 188 Q HN 0.367 nan 8.270 nan 0.000 0.462 189 G N 0.702 109.508 108.800 0.011 0.000 2.154 189 G HA2 -0.276 3.243 3.960 -0.736 0.000 0.186 189 G HA3 -0.276 3.243 3.960 -0.736 0.000 0.186 189 G C -0.085 174.821 174.900 0.011 0.000 1.000 189 G CA -0.173 44.935 45.100 0.013 0.000 0.664 189 G HN 0.243 nan 8.290 nan 0.000 0.513 190 R N 0.035 120.541 120.500 0.010 0.000 2.594 190 R HA 0.512 4.411 4.340 -0.736 0.000 0.272 190 R C 0.345 176.652 176.300 0.012 0.000 1.074 190 R CA -0.664 55.441 56.100 0.008 0.000 1.105 190 R CB 0.281 30.587 30.300 0.010 0.000 1.008 190 R HN 0.286 nan 8.270 nan 0.000 0.472 191 L N 5.443 126.671 121.223 0.008 0.000 2.433 191 L HA 0.049 3.948 4.340 -0.736 0.000 0.275 191 L C 0.395 177.275 176.870 0.018 0.000 1.128 191 L CA 0.398 55.244 54.840 0.010 0.000 0.875 191 L CB 1.388 43.447 42.059 -0.001 0.000 1.171 191 L HN 0.633 nan 8.230 nan 0.000 0.463 192 V N 4.832 124.760 119.914 0.022 0.000 2.500 192 V HA 0.448 4.126 4.120 -0.736 0.000 0.243 192 V C 0.868 176.971 176.094 0.014 0.000 1.039 192 V CA 1.034 63.348 62.300 0.023 0.000 1.053 192 V CB -0.476 31.362 31.823 0.025 0.000 0.695 192 V HN 0.929 nan 8.190 nan 0.000 0.463 193 A N -1.153 121.679 122.820 0.020 0.000 2.566 193 A HA 0.682 4.561 4.320 -0.736 0.000 0.290 193 A C -1.700 175.904 177.584 0.033 0.000 1.071 193 A CA -0.355 51.690 52.037 0.013 0.000 0.658 193 A CB 1.471 20.473 19.000 0.003 0.000 1.285 193 A HN -0.057 nan 8.150 nan 0.000 0.427 194 V N 0.871 120.818 119.914 0.055 0.000 2.409 194 V HA 0.518 4.197 4.120 -0.736 0.000 0.291 194 V C -0.490 175.646 176.094 0.071 0.000 1.020 194 V CA -0.545 61.793 62.300 0.064 0.000 0.848 194 V CB 1.419 33.288 31.823 0.076 0.000 0.990 194 V HN 0.705 nan 8.190 nan 0.000 0.430 195 V N 5.122 125.022 119.914 -0.023 0.000 2.370 195 V HA 0.444 4.122 4.120 -0.736 0.000 0.279 195 V C -0.097 175.900 176.094 -0.162 0.000 1.029 195 V CA -0.380 61.858 62.300 -0.104 0.000 0.870 195 V CB 1.427 33.140 31.823 -0.184 0.000 0.984 195 V HN 0.936 nan 8.190 nan 0.000 0.451 196 Q N 4.284 124.016 119.800 -0.113 0.000 2.327 196 Q HA 0.631 4.529 4.340 -0.736 0.000 0.270 196 Q C -1.658 174.239 176.000 -0.172 0.000 1.022 196 Q CA -0.631 55.106 55.803 -0.110 0.000 0.773 196 Q CB 1.657 30.437 28.738 0.071 0.000 1.251 196 Q HN 0.699 nan 8.270 nan 0.000 0.457 197 L N 4.622 125.670 121.223 -0.292 0.000 2.307 197 L HA 0.531 4.429 4.340 -0.736 0.000 0.284 197 L C -0.816 175.960 176.870 -0.158 0.000 1.023 197 L CA -0.330 54.326 54.840 -0.307 0.000 0.810 197 L CB 1.213 42.893 42.059 -0.632 0.000 1.231 197 L HN 0.471 nan 8.230 nan 0.000 0.423 198 L N 3.672 124.966 121.223 0.119 0.000 2.346 198 L HA 0.545 4.443 4.340 -0.736 0.000 0.276 198 L C -0.558 176.580 176.870 0.447 0.000 1.006 198 L CA -1.013 54.007 54.840 0.299 0.000 0.817 198 L CB 1.541 43.768 42.059 0.280 0.000 1.272 198 L HN 0.631 nan 8.230 nan 0.000 0.421 199 N N 1.658 120.610 118.700 0.420 0.000 2.522 199 N HA -0.168 4.131 4.740 -0.736 0.000 0.281 199 N C -0.489 175.029 175.510 0.015 0.000 1.267 199 N CA 0.547 53.730 53.050 0.222 0.000 0.675 199 N CB -0.604 38.039 38.487 0.260 0.000 0.890 199 N HN 0.615 nan 8.380 nan 0.000 0.542 200 K N 1.598 121.724 120.400 -0.457 0.000 2.489 200 K HA 0.229 4.107 4.320 -0.736 0.000 0.278 200 K C 0.030 176.463 176.600 -0.279 0.000 1.000 200 K CA 0.272 56.141 56.287 -0.696 0.000 1.012 200 K CB 0.431 32.247 32.500 -1.140 0.000 0.903 200 K HN 0.411 nan 8.250 nan 0.000 0.485 201 L N 4.313 125.433 121.223 -0.171 0.000 2.331 201 L HA 0.399 4.297 4.340 -0.736 0.000 0.275 201 L C 0.208 177.018 176.870 -0.101 0.000 1.022 201 L CA -1.102 53.675 54.840 -0.105 0.000 0.812 201 L CB 1.680 43.711 42.059 -0.047 0.000 1.257 201 L HN 0.614 nan 8.230 nan 0.000 0.435 202 K N 2.557 122.899 120.400 -0.097 0.000 2.436 202 K HA 0.078 3.956 4.320 -0.736 0.000 0.275 202 K C -1.433 175.149 176.600 -0.029 0.000 0.999 202 K CA -1.121 55.126 56.287 -0.067 0.000 0.980 202 K CB 0.560 33.016 32.500 -0.074 0.000 0.919 202 K HN 0.383 nan 8.250 nan 0.000 0.484 203 P HA -0.172 nan 4.420 nan 0.000 0.221 203 P C -0.459 176.904 177.300 0.105 0.000 1.150 203 P CA 1.309 64.436 63.100 0.046 0.000 0.800 203 P CB 0.162 31.892 31.700 0.052 0.000 0.787 204 Y N 0.047 120.331 120.300 -0.027 0.000 2.338 204 Y HA 0.566 4.674 4.550 -0.736 0.000 0.333 204 Y C -0.836 175.046 175.900 -0.030 0.000 0.968 204 Y CA -0.841 57.245 58.100 -0.023 0.000 1.123 204 Y CB 1.660 40.108 38.460 -0.021 0.000 1.165 204 Y HN -0.281 nan 8.280 nan 0.000 0.452 205 S N 6.227 121.459 115.700 -0.779 0.000 2.588 205 S HA 0.568 4.596 4.470 -0.736 0.000 0.275 205 S C -2.867 171.273 174.600 -0.766 0.000 1.130 205 S CA -1.352 56.442 58.200 -0.676 0.000 0.855 205 S CB 1.997 65.014 63.200 -0.305 0.000 1.116 205 S HN 0.527 nan 8.310 nan 0.000 0.472 206 P HA 0.174 nan 4.420 nan 0.000 0.266 206 P C -2.063 175.130 177.300 -0.178 0.000 1.195 206 P CA -0.839 62.103 63.100 -0.263 0.000 0.768 206 P CB -0.019 31.595 31.700 -0.144 0.000 0.838 207 P HA -0.129 nan 4.420 nan 0.000 0.225 207 P C 0.553 177.823 177.300 -0.048 0.000 1.148 207 P CA 1.337 64.398 63.100 -0.065 0.000 0.779 207 P CB -0.041 31.642 31.700 -0.029 0.000 0.780 208 D N -1.434 118.937 120.400 -0.048 0.000 2.424 208 D HA 0.160 4.359 4.640 -0.736 0.000 0.220 208 D C 0.276 176.552 176.300 -0.039 0.000 1.150 208 D CA -0.530 53.450 54.000 -0.033 0.000 0.831 208 D CB -0.474 40.313 40.800 -0.022 0.000 0.981 208 D HN -0.046 nan 8.370 nan 0.000 0.500 209 A N 0.673 123.456 122.820 -0.060 0.000 2.425 209 A HA 0.412 4.291 4.320 -0.736 0.000 0.249 209 A C 0.047 177.603 177.584 -0.047 0.000 1.084 209 A CA -0.464 51.534 52.037 -0.066 0.000 0.781 209 A CB 0.292 19.231 19.000 -0.102 0.000 1.019 209 A HN 0.217 nan 8.150 nan 0.000 0.490 210 L N 1.722 122.920 121.223 -0.041 0.000 2.464 210 L HA 0.108 4.007 4.340 -0.736 0.000 0.264 210 L C 1.722 178.570 176.870 -0.037 0.000 1.199 210 L CA 0.080 54.904 54.840 -0.026 0.000 0.818 210 L CB 0.114 42.161 42.059 -0.019 0.000 1.102 210 L HN 0.835 nan 8.230 nan 0.000 0.473 211 L N 2.840 124.054 121.223 -0.014 0.000 2.013 211 L HA -0.220 3.679 4.340 -0.736 0.000 0.212 211 L C 2.204 179.022 176.870 -0.087 0.000 1.073 211 L CA 2.310 57.141 54.840 -0.015 0.000 0.753 211 L CB -0.768 41.309 42.059 0.029 0.000 0.890 211 L HN 0.791 nan 8.230 nan 0.000 0.432 212 A N -1.199 121.565 122.820 -0.094 0.000 2.019 212 A HA -0.160 3.719 4.320 -0.736 0.000 0.219 212 A C 2.114 179.558 177.584 -0.233 0.000 1.164 212 A CA 1.632 53.526 52.037 -0.239 0.000 0.644 212 A CB -0.508 18.432 19.000 -0.099 0.000 0.805 212 A HN 0.656 nan 8.150 nan 0.000 0.449 213 E N -0.534 119.577 120.200 -0.148 0.000 2.230 213 E HA -0.051 3.858 4.350 -0.736 0.000 0.192 213 E C 1.953 178.462 176.600 -0.151 0.000 0.987 213 E CA 0.373 56.690 56.400 -0.138 0.000 0.841 213 E CB -0.088 29.552 29.700 -0.099 0.000 0.783 213 E HN 0.574 nan 8.360 nan 0.000 0.481 214 R N 0.958 121.373 120.500 -0.142 0.000 2.240 214 R HA 0.087 3.986 4.340 -0.736 0.000 0.203 214 R C 1.308 177.522 176.300 -0.144 0.000 1.011 214 R CA 0.036 56.058 56.100 -0.131 0.000 1.007 214 R CB -0.288 29.956 30.300 -0.093 0.000 0.911 214 R HN 0.157 nan 8.270 nan 0.000 0.468 215 I N -0.684 119.771 120.570 -0.192 0.000 2.696 215 I HA 0.132 3.861 4.170 -0.736 0.000 0.284 215 I C -0.105 175.877 176.117 -0.226 0.000 1.129 215 I CA -0.509 60.667 61.300 -0.208 0.000 1.410 215 I CB 0.485 38.317 38.000 -0.280 0.000 1.399 215 I HN -0.252 nan 8.210 nan 0.000 0.579 216 D N 3.618 123.892 120.400 -0.210 0.000 2.359 216 D HA 0.219 4.417 4.640 -0.736 0.000 0.230 216 D C 0.439 176.601 176.300 -0.231 0.000 1.118 216 D CA -0.347 53.529 54.000 -0.207 0.000 0.844 216 D CB 0.749 41.440 40.800 -0.182 0.000 1.059 216 D HN 0.586 nan 8.370 nan 0.000 0.493 217 N N 2.134 120.651 118.700 -0.304 0.000 2.348 217 N HA -0.140 4.159 4.740 -0.736 0.000 0.185 217 N C 1.153 176.565 175.510 -0.163 0.000 1.019 217 N CA 0.813 53.626 53.050 -0.395 0.000 0.880 217 N CB 0.135 38.273 38.487 -0.581 0.000 0.965 217 N HN 0.483 nan 8.380 nan 0.000 0.437 218 Q N -0.015 119.709 119.800 -0.126 0.000 2.378 218 Q HA 0.151 4.049 4.340 -0.736 0.000 0.205 218 Q C 1.182 177.158 176.000 -0.041 0.000 0.954 218 Q CA 0.613 56.380 55.803 -0.059 0.000 0.901 218 Q CB -0.343 28.360 28.738 -0.058 0.000 0.981 218 Q HN 0.337 nan 8.270 nan 0.000 0.483 219 G N 0.709 109.447 108.800 -0.103 0.000 2.698 219 G HA2 -0.284 3.234 3.960 -0.736 0.000 0.233 219 G HA3 -0.284 3.234 3.960 -0.736 0.000 0.233 219 G C -0.546 174.236 174.900 -0.196 0.000 1.352 219 G CA -0.426 44.586 45.100 -0.146 0.000 0.879 219 G HN 0.191 nan 8.290 nan 0.000 0.567 220 F N 1.373 121.341 119.950 0.029 0.000 2.418 220 F HA 0.577 4.663 4.527 -0.735 0.000 0.341 220 F C 1.496 177.310 175.800 0.023 0.000 1.120 220 F CA 0.568 58.581 58.000 0.021 0.000 1.232 220 F CB 1.552 40.556 39.000 0.006 0.000 1.175 220 F HN 0.791 nan 8.300 nan 0.000 0.569 221 T N -2.352 112.334 114.554 0.219 0.000 2.927 221 T HA 0.297 4.206 4.350 -0.736 0.000 0.286 221 T C 0.852 175.623 174.700 0.118 0.000 1.040 221 T CA -0.708 61.469 62.100 0.129 0.000 1.010 221 T CB 1.453 70.376 68.868 0.091 0.000 1.177 221 T HN 0.402 nan 8.240 nan 0.000 0.546 222 S N 0.250 116.002 115.700 0.086 0.000 2.399 222 S HA -0.044 3.985 4.470 -0.736 0.000 0.231 222 S C 2.363 177.011 174.600 0.080 0.000 1.022 222 S CA 1.169 59.413 58.200 0.074 0.000 0.983 222 S CB -0.907 62.327 63.200 0.057 0.000 0.803 222 S HN 0.876 nan 8.310 nan 0.000 0.480 223 A N 1.778 124.647 122.820 0.082 0.000 1.930 223 A HA -0.121 3.757 4.320 -0.736 0.000 0.217 223 A C 1.793 179.444 177.584 0.113 0.000 1.175 223 A CA 1.432 53.520 52.037 0.084 0.000 0.627 223 A CB -0.470 18.573 19.000 0.072 0.000 0.815 223 A HN 0.341 nan 8.150 nan 0.000 0.443 224 D N -0.482 119.999 120.400 0.136 0.000 2.117 224 D HA -0.161 4.037 4.640 -0.736 0.000 0.198 224 D C 1.872 178.269 176.300 0.162 0.000 0.982 224 D CA 1.493 55.597 54.000 0.173 0.000 0.828 224 D CB -0.378 40.568 40.800 0.244 0.000 0.967 224 D HN 0.736 nan 8.370 nan 0.000 0.464 225 E N 0.306 120.579 120.200 0.122 0.000 2.085 225 E HA -0.217 3.691 4.350 -0.736 0.000 0.194 225 E C 1.847 178.553 176.600 0.178 0.000 0.994 225 E CA 1.026 57.494 56.400 0.112 0.000 0.801 225 E CB 0.228 29.969 29.700 0.067 0.000 0.743 225 E HN 0.075 nan 8.360 nan 0.000 0.453 226 Q N 0.125 120.007 119.800 0.138 0.000 2.172 226 Q HA -0.101 3.797 4.340 -0.736 0.000 0.200 226 Q C 2.214 178.294 176.000 0.132 0.000 0.964 226 Q CA 0.537 56.412 55.803 0.120 0.000 0.855 226 Q CB -0.351 28.433 28.738 0.078 0.000 0.918 226 Q HN 0.300 nan 8.270 nan 0.000 0.444 227 L N 0.337 121.655 121.223 0.159 0.000 2.131 227 L HA -0.119 3.779 4.340 -0.736 0.000 0.210 227 L C 2.015 179.047 176.870 0.271 0.000 1.092 227 L CA 1.345 56.291 54.840 0.177 0.000 0.759 227 L CB -0.886 41.293 42.059 0.200 0.000 0.903 227 L HN 0.136 nan 8.230 nan 0.000 0.435 228 F N 0.199 120.250 119.950 0.169 0.000 2.192 228 F HA -0.266 3.819 4.527 -0.737 0.000 0.301 228 F C 2.250 178.167 175.800 0.194 0.000 1.079 228 F CA 1.573 59.699 58.000 0.209 0.000 1.303 228 F CB -0.278 38.771 39.000 0.082 0.000 1.024 228 F HN 0.259 nan 8.300 nan 0.000 0.494 229 Q N 0.489 120.271 119.800 -0.030 0.000 2.364 229 Q HA -0.157 3.741 4.340 -0.736 0.000 0.209 229 Q C 1.913 177.783 176.000 -0.217 0.000 0.977 229 Q CA 1.045 56.755 55.803 -0.156 0.000 0.885 229 Q CB -0.622 28.096 28.738 -0.033 0.000 0.941 229 Q HN 0.524 nan 8.270 nan 0.000 0.464 230 E N -0.318 119.735 120.200 -0.245 0.000 2.204 230 E HA -0.093 3.815 4.350 -0.736 0.000 0.195 230 E C 1.371 177.590 176.600 -0.636 0.000 0.990 230 E CA 0.789 56.910 56.400 -0.465 0.000 0.821 230 E CB -0.090 29.218 29.700 -0.653 0.000 0.750 230 E HN 0.451 nan 8.360 nan 0.000 0.477 231 F N -0.273 119.513 119.950 -0.273 0.000 2.694 231 F HA 0.280 4.363 4.527 -0.740 0.000 0.292 231 F C 2.252 177.819 175.800 -0.387 0.000 1.121 231 F CA 0.246 58.075 58.000 -0.285 0.000 1.352 231 F CB -0.319 38.533 39.000 -0.246 0.000 1.107 231 F HN -0.082 nan 8.300 nan 0.000 0.597 232 A N 1.328 123.872 122.820 -0.460 0.000 1.883 232 A HA -0.135 3.744 4.320 -0.736 0.000 0.217 232 A C -0.269 177.212 177.584 -0.172 0.000 1.186 232 A CA 1.803 53.569 52.037 -0.452 0.000 0.624 232 A CB -1.939 16.769 19.000 -0.487 0.000 0.822 232 A HN 0.184 nan 8.150 nan 0.000 0.444 233 P HA -0.102 nan 4.420 nan 0.000 0.215 233 P C 1.649 178.915 177.300 -0.056 0.000 1.153 233 P CA 1.848 64.898 63.100 -0.082 0.000 0.853 233 P CB -0.123 31.525 31.700 -0.087 0.000 0.788 234 S N -1.018 114.650 115.700 -0.054 0.000 2.406 234 S HA -0.055 3.974 4.470 -0.736 0.000 0.228 234 S C 1.871 176.468 174.600 -0.004 0.000 1.020 234 S CA 0.878 59.066 58.200 -0.020 0.000 0.965 234 S CB -0.959 62.241 63.200 -0.001 0.000 0.798 234 S HN 0.122 nan 8.310 nan 0.000 0.488 235 I N 1.229 121.796 120.570 -0.005 0.000 2.202 235 I HA -0.167 3.561 4.170 -0.736 0.000 0.242 235 I C 2.712 178.833 176.117 0.005 0.000 1.091 235 I CA 1.120 62.425 61.300 0.010 0.000 1.368 235 I CB -0.299 37.718 38.000 0.028 0.000 1.058 235 I HN 0.165 nan 8.210 nan 0.000 0.410 236 R N 0.367 120.865 120.500 -0.003 0.000 2.091 236 R HA -0.203 3.696 4.340 -0.736 0.000 0.238 236 R C 2.339 178.635 176.300 -0.006 0.000 1.136 236 R CA 1.427 57.527 56.100 -0.001 0.000 0.959 236 R CB -0.558 29.738 30.300 -0.005 0.000 0.856 236 R HN 0.257 nan 8.270 nan 0.000 0.437 237 L N 1.135 122.351 121.223 -0.011 0.000 2.012 237 L HA -0.171 3.727 4.340 -0.736 0.000 0.210 237 L C 1.971 178.835 176.870 -0.010 0.000 1.073 237 L CA 1.750 56.582 54.840 -0.013 0.000 0.748 237 L CB -0.294 41.757 42.059 -0.014 0.000 0.891 237 L HN 0.108 nan 8.230 nan 0.000 0.431 238 I N -1.098 119.471 120.570 -0.001 0.000 2.252 238 I HA -0.295 3.433 4.170 -0.736 0.000 0.245 238 I C 2.342 178.459 176.117 -0.000 0.000 1.102 238 I CA 1.292 62.596 61.300 0.006 0.000 1.385 238 I CB -0.263 37.747 38.000 0.018 0.000 1.064 238 I HN 0.266 nan 8.210 nan 0.000 0.414 239 L N -0.105 121.118 121.223 0.001 0.000 2.072 239 L HA -0.135 3.763 4.340 -0.736 0.000 0.205 239 L C 2.541 179.403 176.870 -0.014 0.000 1.079 239 L CA 1.127 55.970 54.840 0.005 0.000 0.752 239 L CB -0.517 41.547 42.059 0.008 0.000 0.906 239 L HN 0.233 nan 8.230 nan 0.000 0.436 240 E N -0.067 120.123 120.200 -0.018 0.000 2.170 240 E HA -0.108 3.800 4.350 -0.736 0.000 0.191 240 E C 2.382 178.952 176.600 -0.051 0.000 0.981 240 E CA 1.335 57.719 56.400 -0.025 0.000 0.830 240 E CB 0.019 29.711 29.700 -0.014 0.000 0.775 240 E HN 0.504 nan 8.360 nan 0.000 0.470 241 S N 1.435 117.102 115.700 -0.054 0.000 2.356 241 S HA -0.170 3.859 4.470 -0.736 0.000 0.223 241 S C 2.335 176.859 174.600 -0.127 0.000 1.032 241 S CA 1.743 59.902 58.200 -0.069 0.000 1.005 241 S CB -0.545 62.620 63.200 -0.059 0.000 0.867 241 S HN 0.241 nan 8.310 nan 0.000 0.449 242 S N 2.512 118.102 115.700 -0.183 0.000 2.368 242 S HA -0.111 3.917 4.470 -0.736 0.000 0.225 242 S C 2.033 176.141 174.600 -0.821 0.000 1.030 242 S CA 0.959 58.911 58.200 -0.413 0.000 0.999 242 S CB -0.704 62.339 63.200 -0.261 0.000 0.844 242 S HN 0.605 nan 8.310 nan 0.000 0.459 243 R N 1.202 121.449 120.500 -0.421 0.000 2.091 243 R HA -0.053 3.845 4.340 -0.736 0.000 0.238 243 R C 2.331 178.542 176.300 -0.149 0.000 1.136 243 R CA 1.732 57.695 56.100 -0.227 0.000 0.959 243 R CB -0.593 29.699 30.300 -0.013 0.000 0.856 243 R HN 0.461 nan 8.270 nan 0.000 0.437 244 S N 0.186 115.822 115.700 -0.106 0.000 2.383 244 S HA -0.133 3.895 4.470 -0.736 0.000 0.227 244 S C 1.368 175.956 174.600 -0.020 0.000 1.026 244 S CA 1.126 59.302 58.200 -0.040 0.000 0.981 244 S CB -0.352 62.834 63.200 -0.023 0.000 0.818 244 S HN 0.388 nan 8.310 nan 0.000 0.472 245 F N 1.801 121.628 119.950 -0.206 0.000 2.134 245 F HA -0.158 4.222 4.527 -0.246 0.000 0.299 245 F C 1.833 177.624 175.800 -0.013 0.000 1.097 245 F CA 1.256 59.167 58.000 -0.149 0.000 1.264 245 F CB -0.522 38.350 39.000 -0.213 0.000 1.001 245 F HN 0.171 nan 8.300 nan 0.000 0.479 246 Y N 0.331 120.598 120.300 -0.055 0.000 2.145 246 Y HA -0.174 3.950 4.550 -0.709 0.000 0.286 246 Y C 2.543 178.343 175.900 -0.167 0.000 1.145 246 Y CA 1.168 59.184 58.100 -0.140 0.000 1.148 246 Y CB -1.435 37.031 38.460 0.010 0.000 0.981 246 Y HN 0.093 nan 8.280 nan 0.000 0.507 247 I N -0.258 120.342 120.570 0.050 0.000 2.202 247 I HA -0.272 3.457 4.170 -0.736 0.000 0.242 247 I C 2.579 178.656 176.117 -0.066 0.000 1.091 247 I CA 1.226 62.525 61.300 -0.002 0.000 1.368 247 I CB -0.625 37.380 38.000 0.009 0.000 1.058 247 I HN 0.143 nan 8.210 nan 0.000 0.410 248 A N 0.113 122.875 122.820 -0.096 0.000 1.940 248 A HA -0.215 3.663 4.320 -0.736 0.000 0.219 248 A C 2.376 179.854 177.584 -0.176 0.000 1.176 248 A CA 2.465 54.432 52.037 -0.117 0.000 0.631 248 A CB -1.096 17.845 19.000 -0.098 0.000 0.814 248 A HN 0.387 nan 8.150 nan 0.000 0.446 249 T N -0.104 114.276 114.554 -0.290 0.000 2.821 249 T HA -0.158 3.750 4.350 -0.736 0.000 0.267 249 T C 2.068 176.643 174.700 -0.208 0.000 1.046 249 T CA 1.755 63.660 62.100 -0.325 0.000 1.139 249 T CB -0.220 68.332 68.868 -0.527 0.000 0.871 249 T HN 0.646 nan 8.240 nan 0.000 0.454 250 Q N 0.557 120.261 119.800 -0.159 0.000 2.079 250 Q HA -0.023 3.875 4.340 -0.736 0.000 0.200 250 Q C 2.402 178.341 176.000 -0.102 0.000 0.974 250 Q CA 1.150 56.881 55.803 -0.121 0.000 0.840 250 Q CB -0.071 28.619 28.738 -0.080 0.000 0.898 250 Q HN 0.434 nan 8.270 nan 0.000 0.430 251 K N 0.531 120.878 120.400 -0.089 0.000 2.148 251 K HA -0.186 3.692 4.320 -0.736 0.000 0.204 251 K C 2.134 178.687 176.600 -0.078 0.000 1.050 251 K CA 1.057 57.300 56.287 -0.073 0.000 0.942 251 K CB -0.047 32.418 32.500 -0.059 0.000 0.724 251 K HN 0.224 nan 8.250 nan 0.000 0.446 252 Q N 1.193 120.936 119.800 -0.095 0.000 2.050 252 Q HA -0.188 3.711 4.340 -0.736 0.000 0.202 252 Q C 2.345 178.286 176.000 -0.099 0.000 0.980 252 Q CA 1.198 56.946 55.803 -0.092 0.000 0.840 252 Q CB 0.024 28.698 28.738 -0.105 0.000 0.898 252 Q HN 0.097 nan 8.270 nan 0.000 0.424 253 R N 0.374 120.800 120.500 -0.124 0.000 2.091 253 R HA -0.146 3.752 4.340 -0.736 0.000 0.238 253 R C 1.884 178.112 176.300 -0.120 0.000 1.136 253 R CA 1.609 57.625 56.100 -0.140 0.000 0.959 253 R CB -0.615 29.579 30.300 -0.176 0.000 0.856 253 R HN 0.358 nan 8.270 nan 0.000 0.437 254 A N 0.653 123.414 122.820 -0.098 0.000 1.898 254 A HA -0.001 3.878 4.320 -0.736 0.000 0.216 254 A C 2.414 179.958 177.584 -0.067 0.000 1.181 254 A CA 1.663 53.654 52.037 -0.077 0.000 0.620 254 A CB -0.652 18.313 19.000 -0.059 0.000 0.819 254 A HN 0.508 nan 8.150 nan 0.000 0.442 255 A N -0.198 122.585 122.820 -0.062 0.000 1.930 255 A HA 0.223 4.102 4.320 -0.736 0.000 0.217 255 A C 2.461 180.014 177.584 -0.051 0.000 1.175 255 A CA 1.869 53.878 52.037 -0.048 0.000 0.627 255 A CB -0.885 18.090 19.000 -0.042 0.000 0.815 255 A HN 0.990 nan 8.150 nan 0.000 0.443 256 A N -0.198 122.582 122.820 -0.066 0.000 1.930 256 A HA 0.232 4.110 4.320 -0.736 0.000 0.217 256 A C 2.444 179.980 177.584 -0.081 0.000 1.175 256 A CA 1.807 53.804 52.037 -0.068 0.000 0.627 256 A CB -0.844 18.108 19.000 -0.080 0.000 0.815 256 A HN 0.973 nan 8.150 nan 0.000 0.443 257 A N -0.501 122.258 122.820 -0.102 0.000 1.930 257 A HA -0.066 3.813 4.320 -0.736 0.000 0.217 257 A C 2.225 179.756 177.584 -0.089 0.000 1.175 257 A CA 1.674 53.638 52.037 -0.121 0.000 0.627 257 A CB -0.502 18.412 19.000 -0.143 0.000 0.815 257 A HN 0.527 nan 8.150 nan 0.000 0.443 258 M N -1.402 118.158 119.600 -0.066 0.000 2.132 258 M HA -0.102 3.937 4.480 -0.736 0.000 0.263 258 M C 2.393 178.669 176.300 -0.040 0.000 1.065 258 M CA 1.619 56.889 55.300 -0.050 0.000 1.122 258 M CB -0.415 32.166 32.600 -0.032 0.000 1.365 258 M HN 0.396 nan 8.290 nan 0.000 0.411 259 M N -0.129 119.452 119.600 -0.032 0.000 2.117 259 M HA -0.227 3.812 4.480 -0.736 0.000 0.262 259 M C 2.239 178.527 176.300 -0.020 0.000 1.065 259 M CA 1.683 56.974 55.300 -0.015 0.000 1.114 259 M CB -0.393 32.200 32.600 -0.013 0.000 1.361 259 M HN 0.133 nan 8.290 nan 0.000 0.408 260 K N 0.536 120.911 120.400 -0.041 0.000 2.097 260 K HA -0.122 3.756 4.320 -0.736 0.000 0.206 260 K C 1.855 178.426 176.600 -0.049 0.000 1.049 260 K CA 1.465 57.727 56.287 -0.043 0.000 0.933 260 K CB -0.099 32.361 32.500 -0.066 0.000 0.717 260 K HN 0.278 nan 8.250 nan 0.000 0.442 261 A N 0.485 123.264 122.820 -0.069 0.000 1.933 261 A HA -0.088 3.791 4.320 -0.736 0.000 0.218 261 A C 2.202 179.705 177.584 -0.135 0.000 1.175 261 A CA 1.539 53.515 52.037 -0.100 0.000 0.628 261 A CB -0.572 18.360 19.000 -0.114 0.000 0.814 261 A HN 0.167 nan 8.150 nan 0.000 0.444 262 V N 0.546 120.409 119.914 -0.085 0.000 2.343 262 V HA -0.268 3.410 4.120 -0.736 0.000 0.247 262 V C 2.582 178.711 176.094 0.060 0.000 1.051 262 V CA 2.310 64.600 62.300 -0.016 0.000 1.036 262 V CB -0.611 31.276 31.823 0.107 0.000 0.654 262 V HN 0.639 nan 8.190 nan 0.000 0.451 263 K N 0.040 120.460 120.400 0.033 0.000 2.057 263 K HA -0.165 3.713 4.320 -0.736 0.000 0.207 263 K C 2.351 178.969 176.600 0.030 0.000 1.049 263 K CA 1.843 58.156 56.287 0.043 0.000 0.931 263 K CB -0.192 32.322 32.500 0.023 0.000 0.714 263 K HN 0.468 nan 8.250 nan 0.000 0.440 264 S N 1.475 117.171 115.700 -0.007 0.000 2.356 264 S HA -0.081 3.947 4.470 -0.736 0.000 0.223 264 S C 1.930 176.524 174.600 -0.011 0.000 1.032 264 S CA 1.118 59.310 58.200 -0.014 0.000 1.005 264 S CB -0.154 63.024 63.200 -0.037 0.000 0.867 264 S HN 0.283 nan 8.310 nan 0.000 0.449 265 L N 1.540 122.727 121.223 -0.060 0.000 2.156 265 L HA -0.050 3.848 4.340 -0.736 0.000 0.208 265 L C 2.681 179.664 176.870 0.188 0.000 1.095 265 L CA 1.272 56.080 54.840 -0.053 0.000 0.770 265 L CB -0.654 41.108 42.059 -0.495 0.000 0.914 265 L HN 0.436 nan 8.230 nan 0.000 0.439 266 S N -0.953 114.888 115.700 0.235 0.000 2.414 266 S HA -0.145 3.883 4.470 -0.736 0.000 0.227 266 S C 1.797 176.467 174.600 0.117 0.000 1.022 266 S CA 0.482 58.818 58.200 0.227 0.000 0.958 266 S CB -0.081 63.237 63.200 0.197 0.000 0.797 266 S HN 0.470 nan 8.310 nan 0.000 0.493 267 Q N 1.383 121.232 119.800 0.083 0.000 2.396 267 Q HA 0.199 4.097 4.340 -0.736 0.000 0.209 267 Q C 0.501 176.527 176.000 0.044 0.000 0.906 267 Q CA 0.369 56.204 55.803 0.053 0.000 0.927 267 Q CB 0.468 29.231 28.738 0.041 0.000 1.069 267 Q HN 0.733 nan 8.270 nan 0.000 0.523 268 S N 0.046 115.773 115.700 0.046 0.000 2.610 268 S HA 0.294 4.322 4.470 -0.736 0.000 0.273 268 S C 0.436 175.059 174.600 0.038 0.000 1.274 268 S CA -0.651 57.570 58.200 0.034 0.000 1.023 268 S CB 1.614 64.828 63.200 0.023 0.000 0.962 268 S HN 0.108 nan 8.310 nan 0.000 0.523 269 S N 1.740 117.457 115.700 0.029 0.000 2.581 269 S HA 0.415 4.443 4.470 -0.736 0.000 0.245 269 S C -0.224 174.390 174.600 0.022 0.000 1.115 269 S CA -0.720 57.496 58.200 0.027 0.000 1.093 269 S CB -0.767 62.447 63.200 0.023 0.000 0.853 269 S HN 0.640 nan 8.310 nan 0.000 0.479 270 L N 1.163 122.399 121.223 0.021 0.000 2.334 270 L HA 0.535 4.433 4.340 -0.736 0.000 0.272 270 L C 0.121 177.001 176.870 0.016 0.000 1.020 270 L CA -1.055 53.794 54.840 0.015 0.000 0.812 270 L CB 0.898 42.962 42.059 0.009 0.000 1.264 270 L HN 0.165 nan 8.230 nan 0.000 0.439 271 D N 0.347 120.756 120.400 0.014 0.000 2.325 271 D HA -0.053 4.146 4.640 -0.736 0.000 0.237 271 D C 0.882 177.188 176.300 0.010 0.000 1.328 271 D CA -0.112 53.898 54.000 0.016 0.000 0.918 271 D CB 0.799 41.609 40.800 0.017 0.000 1.156 271 D HN 0.272 nan 8.370 nan 0.000 0.485 272 L N 0.710 121.940 121.223 0.013 0.000 2.027 272 L HA -0.131 3.768 4.340 -0.736 0.000 0.206 272 L C 2.169 179.035 176.870 -0.006 0.000 1.074 272 L CA 1.816 56.657 54.840 0.002 0.000 0.745 272 L CB -0.793 41.274 42.059 0.012 0.000 0.898 272 L HN 0.533 nan 8.230 nan 0.000 0.433 273 E N -0.717 119.487 120.200 0.007 0.000 2.070 273 E HA -0.277 3.631 4.350 -0.736 0.000 0.197 273 E C 1.585 178.175 176.600 -0.017 0.000 1.004 273 E CA 1.884 58.284 56.400 -0.001 0.000 0.805 273 E CB -0.058 29.655 29.700 0.021 0.000 0.744 273 E HN 0.560 nan 8.360 nan 0.000 0.451 274 D N -0.659 119.736 120.400 -0.009 0.000 2.194 274 D HA -0.070 4.128 4.640 -0.736 0.000 0.204 274 D C 1.876 178.168 176.300 -0.015 0.000 0.964 274 D CA 1.126 55.119 54.000 -0.012 0.000 0.846 274 D CB -0.350 40.448 40.800 -0.003 0.000 0.962 274 D HN 0.169 nan 8.370 nan 0.000 0.490 275 T N 1.044 115.589 114.554 -0.015 0.000 2.821 275 T HA -0.031 3.877 4.350 -0.736 0.000 0.267 275 T C 2.166 176.852 174.700 -0.024 0.000 1.046 275 T CA 0.545 62.635 62.100 -0.018 0.000 1.139 275 T CB -0.108 68.746 68.868 -0.025 0.000 0.871 275 T HN 0.113 nan 8.240 nan 0.000 0.454 276 L N 0.557 121.759 121.223 -0.036 0.000 2.109 276 L HA -0.014 3.884 4.340 -0.736 0.000 0.207 276 L C 2.555 179.393 176.870 -0.054 0.000 1.086 276 L CA 1.097 55.907 54.840 -0.049 0.000 0.760 276 L CB -0.391 41.624 42.059 -0.074 0.000 0.910 276 L HN 0.178 nan 8.230 nan 0.000 0.437 277 K N 0.638 121.006 120.400 -0.053 0.000 2.057 277 K HA -0.219 3.660 4.320 -0.736 0.000 0.207 277 K C 2.324 178.899 176.600 -0.041 0.000 1.049 277 K CA 1.306 57.559 56.287 -0.057 0.000 0.931 277 K CB -0.103 32.368 32.500 -0.049 0.000 0.714 277 K HN 0.049 nan 8.250 nan 0.000 0.440 278 R N 0.077 120.565 120.500 -0.021 0.000 2.081 278 R HA -0.094 3.805 4.340 -0.736 0.000 0.235 278 R C 1.921 178.230 176.300 0.014 0.000 1.131 278 R CA 1.533 57.632 56.100 -0.003 0.000 0.960 278 R CB -0.179 30.126 30.300 0.009 0.000 0.856 278 R HN 0.118 nan 8.270 nan 0.000 0.436 279 V N 1.099 121.028 119.914 0.026 0.000 2.295 279 V HA -0.269 3.409 4.120 -0.736 0.000 0.246 279 V C 2.448 178.548 176.094 0.010 0.000 1.049 279 V CA 1.545 63.899 62.300 0.090 0.000 1.024 279 V CB -0.314 31.563 31.823 0.090 0.000 0.648 279 V HN 0.343 nan 8.190 nan 0.000 0.447 280 M N -0.526 119.041 119.600 -0.055 0.000 2.229 280 M HA -0.101 3.938 4.480 -0.736 0.000 0.264 280 M C 1.859 178.065 176.300 -0.156 0.000 1.063 280 M CA 1.358 56.583 55.300 -0.124 0.000 1.114 280 M CB -1.333 31.197 32.600 -0.117 0.000 1.387 280 M HN 0.332 nan 8.290 nan 0.000 0.420 281 D N 0.361 120.697 120.400 -0.107 0.000 2.149 281 D HA -0.104 4.094 4.640 -0.736 0.000 0.201 281 D C 1.994 178.224 176.300 -0.116 0.000 0.972 281 D CA 0.974 54.918 54.000 -0.094 0.000 0.835 281 D CB -0.070 40.699 40.800 -0.053 0.000 0.966 281 D HN 0.460 nan 8.370 nan 0.000 0.476 282 E N 0.545 120.678 120.200 -0.112 0.000 2.072 282 E HA -0.107 3.801 4.350 -0.736 0.000 0.191 282 E C 2.081 178.426 176.600 -0.425 0.000 0.985 282 E CA 0.895 57.227 56.400 -0.113 0.000 0.801 282 E CB 0.007 29.773 29.700 0.111 0.000 0.750 282 E HN 0.167 nan 8.360 nan 0.000 0.452 283 A N 1.991 124.306 122.820 -0.842 0.000 1.877 283 A HA -0.268 3.611 4.320 -0.736 0.000 0.216 283 A C 2.085 179.365 177.584 -0.508 0.000 1.186 283 A CA 1.920 53.221 52.037 -1.226 0.000 0.620 283 A CB -0.493 17.910 19.000 -0.994 0.000 0.822 283 A HN 0.147 nan 8.150 nan 0.000 0.443 284 K N 0.005 120.221 120.400 -0.307 0.000 2.063 284 K HA -0.241 3.637 4.320 -0.736 0.000 0.208 284 K C 1.989 178.533 176.600 -0.094 0.000 1.048 284 K CA 1.932 58.130 56.287 -0.148 0.000 0.928 284 K CB -0.223 32.212 32.500 -0.108 0.000 0.713 284 K HN 0.596 nan 8.250 nan 0.000 0.442 285 E N 0.366 120.503 120.200 -0.105 0.000 2.072 285 E HA -0.190 3.719 4.350 -0.736 0.000 0.191 285 E C 2.089 178.665 176.600 -0.040 0.000 0.985 285 E CA 0.907 57.277 56.400 -0.050 0.000 0.801 285 E CB -0.108 29.573 29.700 -0.032 0.000 0.750 285 E HN 0.327 nan 8.360 nan 0.000 0.452 286 L N 0.002 121.187 121.223 -0.064 0.000 2.093 286 L HA -0.037 3.862 4.340 -0.736 0.000 0.208 286 L C 1.921 178.773 176.870 -0.029 0.000 1.085 286 L CA 1.471 56.302 54.840 -0.016 0.000 0.755 286 L CB -0.048 42.053 42.059 0.070 0.000 0.904 286 L HN 0.240 nan 8.230 nan 0.000 0.435 287 M N -0.561 119.023 119.600 -0.027 0.000 2.495 287 M HA 0.164 4.203 4.480 -0.736 0.000 0.237 287 M C 0.621 176.966 176.300 0.075 0.000 1.131 287 M CA 0.090 55.413 55.300 0.039 0.000 1.032 287 M CB -0.440 32.209 32.600 0.081 0.000 1.513 287 M HN 0.308 nan 8.290 nan 0.000 0.488 288 N N 0.270 118.988 118.700 0.029 0.000 2.738 288 N HA -0.154 4.144 4.740 -0.736 0.000 0.249 288 N C -0.858 174.682 175.510 0.051 0.000 1.047 288 N CA 0.747 53.812 53.050 0.025 0.000 0.707 288 N CB -0.715 37.771 38.487 -0.002 0.000 0.937 288 N HN 0.444 nan 8.380 nan 0.000 0.545 289 A N -0.468 122.412 122.820 0.099 0.000 2.303 289 A HA 0.431 4.309 4.320 -0.736 0.000 0.317 289 A C 1.097 178.720 177.584 0.064 0.000 1.149 289 A CA 0.023 52.145 52.037 0.142 0.000 0.822 289 A CB 0.778 19.920 19.000 0.237 0.000 1.131 289 A HN 0.346 nan 8.150 nan 0.000 0.493 290 D N 0.368 120.789 120.400 0.035 0.000 2.117 290 D HA -0.022 4.176 4.640 -0.736 0.000 0.198 290 D C 0.721 177.042 176.300 0.036 0.000 0.982 290 D CA 1.509 55.545 54.000 0.060 0.000 0.828 290 D CB 0.200 41.011 40.800 0.018 0.000 0.967 290 D HN 0.585 nan 8.370 nan 0.000 0.464 291 R N -1.440 119.062 120.500 0.003 0.000 2.817 291 R HA 0.595 4.493 4.340 -0.736 0.000 0.268 291 R C -1.102 175.166 176.300 -0.054 0.000 1.027 291 R CA -0.772 55.299 56.100 -0.049 0.000 0.928 291 R CB 2.297 32.523 30.300 -0.122 0.000 1.228 291 R HN 0.068 nan 8.270 nan 0.000 0.469 292 S N -0.492 115.153 115.700 -0.092 0.000 2.579 292 S HA 0.719 4.748 4.470 -0.736 0.000 0.272 292 S C -1.074 173.445 174.600 -0.136 0.000 1.141 292 S CA -0.689 57.447 58.200 -0.107 0.000 0.843 292 S CB 2.457 65.579 63.200 -0.130 0.000 1.122 292 S HN 0.474 nan 8.310 nan 0.000 0.468 293 T N 1.658 116.130 114.554 -0.137 0.000 2.982 293 T HA 0.564 4.473 4.350 -0.736 0.000 0.321 293 T C -1.833 172.747 174.700 -0.200 0.000 1.229 293 T CA -0.532 61.434 62.100 -0.224 0.000 1.044 293 T CB 1.453 70.173 68.868 -0.248 0.000 1.184 293 T HN 0.820 nan 8.240 nan 0.000 0.477 294 L N 2.754 123.797 121.223 -0.300 0.000 2.319 294 L HA 0.718 4.617 4.340 -0.736 0.000 0.281 294 L C -1.780 174.860 176.870 -0.384 0.000 1.005 294 L CA -0.497 54.203 54.840 -0.233 0.000 0.828 294 L CB 0.566 42.504 42.059 -0.202 0.000 1.227 294 L HN 0.697 nan 8.230 nan 0.000 0.415 295 W N 5.980 127.128 121.300 -0.255 0.000 2.351 295 W HA 0.604 4.822 4.660 -0.737 0.000 0.311 295 W C -0.539 175.754 176.519 -0.377 0.000 1.168 295 W CA -0.276 56.880 57.345 -0.315 0.000 1.200 295 W CB 0.931 30.268 29.460 -0.205 0.000 1.221 295 W HN 0.319 nan 8.180 nan 0.000 0.519 296 L N 4.084 125.073 121.223 -0.390 0.000 2.334 296 L HA 0.565 4.463 4.340 -0.736 0.000 0.270 296 L C -0.054 176.733 176.870 -0.139 0.000 1.018 296 L CA -1.303 53.323 54.840 -0.358 0.000 0.811 296 L CB 1.202 42.900 42.059 -0.602 0.000 1.271 296 L HN 0.229 nan 8.230 nan 0.000 0.443 297 I N 1.175 121.745 120.570 -0.000 0.000 2.342 297 I HA 0.106 3.834 4.170 -0.736 0.000 0.291 297 I C -0.171 176.072 176.117 0.209 0.000 1.010 297 I CA -0.085 61.268 61.300 0.088 0.000 1.308 297 I CB 1.091 39.114 38.000 0.037 0.000 1.400 297 I HN 0.496 nan 8.210 nan 0.000 0.488 298 D N 6.963 127.517 120.400 0.258 0.000 2.456 298 D HA 0.167 4.365 4.640 -0.736 0.000 0.219 298 D C 1.106 177.492 176.300 0.142 0.000 1.126 298 D CA -0.208 53.923 54.000 0.218 0.000 0.890 298 D CB 0.778 41.705 40.800 0.211 0.000 1.025 298 D HN 0.436 nan 8.370 nan 0.000 0.511 299 R N 2.298 122.871 120.500 0.123 0.000 2.092 299 R HA -0.113 3.786 4.340 -0.736 0.000 0.231 299 R C 0.879 177.248 176.300 0.115 0.000 1.119 299 R CA 0.954 57.124 56.100 0.118 0.000 0.970 299 R CB 0.150 30.507 30.300 0.095 0.000 0.864 299 R HN 0.394 nan 8.270 nan 0.000 0.440 300 D N 0.417 120.869 120.400 0.086 0.000 2.092 300 D HA -0.141 4.057 4.640 -0.736 0.000 0.193 300 D C 1.727 178.072 176.300 0.076 0.000 0.994 300 D CA 1.404 55.443 54.000 0.065 0.000 0.828 300 D CB -0.033 40.793 40.800 0.043 0.000 0.963 300 D HN 0.126 nan 8.370 nan 0.000 0.450 301 R N -1.019 119.535 120.500 0.089 0.000 2.297 301 R HA 0.105 4.003 4.340 -0.736 0.000 0.197 301 R C 0.080 176.480 176.300 0.166 0.000 0.943 301 R CA 0.057 56.214 56.100 0.096 0.000 1.038 301 R CB -0.012 30.329 30.300 0.069 0.000 0.957 301 R HN 0.350 nan 8.270 nan 0.000 0.484 302 H N 0.571 119.664 119.070 0.038 0.000 2.748 302 H HA -0.168 3.947 4.556 -0.736 0.000 0.322 302 H C -1.101 174.249 175.328 0.036 0.000 1.208 302 H CA 0.539 56.606 56.048 0.032 0.000 1.151 302 H CB -0.833 28.939 29.762 0.017 0.000 1.505 302 H HN 0.409 nan 8.280 nan 0.000 0.429 303 E N 0.588 120.800 120.200 0.020 0.000 2.393 303 E HA 0.535 4.443 4.350 -0.736 0.000 0.273 303 E C -0.424 176.225 176.600 0.082 0.000 0.918 303 E CA -1.002 55.414 56.400 0.027 0.000 0.773 303 E CB 2.231 31.988 29.700 0.095 0.000 1.275 303 E HN 0.145 nan 8.360 nan 0.000 0.451 304 L N 2.046 123.324 121.223 0.091 0.000 2.334 304 L HA 0.608 4.506 4.340 -0.736 0.000 0.275 304 L C -0.522 176.630 176.870 0.470 0.000 1.036 304 L CA -0.865 54.098 54.840 0.205 0.000 0.807 304 L CB 0.696 42.789 42.059 0.057 0.000 1.231 304 L HN 0.521 nan 8.230 nan 0.000 0.438 305 W N 1.370 122.857 121.300 0.310 0.000 3.031 305 W HA 0.779 4.998 4.660 -0.735 0.000 0.337 305 W C -1.321 175.209 176.519 0.018 0.000 1.187 305 W CA -0.856 56.618 57.345 0.216 0.000 1.166 305 W CB 1.684 31.193 29.460 0.082 0.000 1.437 305 W HN 0.507 nan 8.180 nan 0.000 0.551 306 T N 0.961 115.446 114.554 -0.115 0.000 2.786 306 T HA 0.347 4.255 4.350 -0.736 0.000 0.316 306 T C -1.813 172.782 174.700 -0.175 0.000 1.503 306 T CA -0.658 61.122 62.100 -0.534 0.000 1.019 306 T CB 1.873 70.026 68.868 -1.191 0.000 1.415 306 T HN 0.447 nan 8.240 nan 0.000 0.496 307 K N 2.897 123.184 120.400 -0.188 0.000 2.425 307 K HA 0.522 4.400 4.320 -0.736 0.000 0.259 307 K C -0.028 176.470 176.600 -0.171 0.000 0.978 307 K CA -0.644 55.593 56.287 -0.084 0.000 0.883 307 K CB 1.021 33.535 32.500 0.024 0.000 1.110 307 K HN 0.602 nan 8.250 nan 0.000 0.436 308 I N -0.850 119.618 120.570 -0.169 0.000 2.677 308 I HA 0.449 4.177 4.170 -0.736 0.000 0.305 308 I C 0.025 176.073 176.117 -0.114 0.000 0.988 308 I CA -0.357 60.840 61.300 -0.171 0.000 1.260 308 I CB 1.807 39.697 38.000 -0.184 0.000 1.410 308 I HN 0.285 nan 8.210 nan 0.000 0.523 309 T N 3.550 118.034 114.554 -0.116 0.000 2.824 309 T HA 0.389 4.297 4.350 -0.736 0.000 0.282 309 T C -0.458 174.188 174.700 -0.090 0.000 0.993 309 T CA -0.511 61.539 62.100 -0.082 0.000 0.967 309 T CB 1.138 69.966 68.868 -0.067 0.000 0.960 309 T HN 0.781 nan 8.240 nan 0.000 0.441 310 Q N 2.415 122.178 119.800 -0.062 0.000 2.207 310 Q HA 0.347 4.245 4.340 -0.736 0.000 0.237 310 Q C -0.750 175.242 176.000 -0.013 0.000 0.998 310 Q CA -0.998 54.774 55.803 -0.052 0.000 0.951 310 Q CB 0.801 29.525 28.738 -0.024 0.000 1.213 310 Q HN 0.631 nan 8.270 nan 0.000 0.499 311 D N 1.336 121.749 120.400 0.022 0.000 2.551 311 D HA 0.118 4.316 4.640 -0.736 0.000 0.223 311 D C 0.270 176.596 176.300 0.044 0.000 1.144 311 D CA 0.420 54.449 54.000 0.048 0.000 1.025 311 D CB -0.023 40.834 40.800 0.095 0.000 1.085 311 D HN 0.518 nan 8.370 nan 0.000 0.506 312 N N 0.047 118.762 118.700 0.025 0.000 2.467 312 N HA 0.007 4.306 4.740 -0.736 0.000 0.316 312 N C 0.557 176.075 175.510 0.012 0.000 0.649 312 N CA 0.786 53.849 53.050 0.021 0.000 0.731 312 N CB 0.186 38.687 38.487 0.022 0.000 2.323 312 N HN 0.222 nan 8.380 nan 0.000 1.339 313 G N 0.373 109.176 108.800 0.005 0.000 2.327 313 G HA2 0.059 3.578 3.960 -0.736 0.000 0.159 313 G HA3 0.059 3.578 3.960 -0.736 0.000 0.159 313 G C -0.696 174.203 174.900 -0.002 0.000 1.056 313 G CA 0.284 45.385 45.100 0.001 0.000 0.751 313 G HN 0.581 nan 8.290 nan 0.000 0.488 314 S N -0.556 115.140 115.700 -0.006 0.000 2.548 314 S HA 0.839 4.867 4.470 -0.736 0.000 0.286 314 S C -0.079 174.511 174.600 -0.016 0.000 1.098 314 S CA 0.285 58.481 58.200 -0.007 0.000 0.930 314 S CB 1.738 64.936 63.200 -0.002 0.000 1.070 314 S HN 0.689 nan 8.310 nan 0.000 0.480 315 T N 4.102 118.648 114.554 -0.014 0.000 2.893 315 T HA 0.407 4.316 4.350 -0.736 0.000 0.324 315 T C -0.618 174.075 174.700 -0.013 0.000 1.082 315 T CA -0.554 61.535 62.100 -0.018 0.000 0.983 315 T CB 0.696 69.557 68.868 -0.012 0.000 1.005 315 T HN 0.481 nan 8.240 nan 0.000 0.475 316 K N 2.352 122.740 120.400 -0.020 0.000 2.221 316 K HA 0.358 4.236 4.320 -0.736 0.000 0.258 316 K C -0.445 176.151 176.600 -0.008 0.000 0.944 316 K CA -0.641 55.640 56.287 -0.010 0.000 0.823 316 K CB 1.655 34.150 32.500 -0.009 0.000 1.113 316 K HN 0.569 nan 8.250 nan 0.000 0.431 317 E N 4.575 124.784 120.200 0.015 0.000 2.227 317 E HA 0.243 4.151 4.350 -0.736 0.000 0.282 317 E C -1.042 175.593 176.600 0.059 0.000 1.015 317 E CA -0.531 55.897 56.400 0.047 0.000 0.823 317 E CB 0.799 30.536 29.700 0.062 0.000 1.081 317 E HN 0.436 nan 8.360 nan 0.000 0.396 318 L N 4.364 125.624 121.223 0.061 0.000 2.334 318 L HA 0.611 4.510 4.340 -0.736 0.000 0.273 318 L C 0.042 177.092 176.870 0.300 0.000 1.013 318 L CA -0.841 54.088 54.840 0.149 0.000 0.816 318 L CB 1.679 43.820 42.059 0.137 0.000 1.278 318 L HN 0.473 nan 8.230 nan 0.000 0.431 319 R N 1.992 122.683 120.500 0.318 0.000 2.533 319 R HA 0.640 4.538 4.340 -0.736 0.000 0.288 319 R C -1.487 174.945 176.300 0.220 0.000 1.039 319 R CA -0.655 55.635 56.100 0.317 0.000 0.909 319 R CB 2.714 33.132 30.300 0.197 0.000 1.195 319 R HN 0.480 nan 8.270 nan 0.000 0.438 320 V N 0.377 120.388 119.914 0.161 0.000 2.709 320 V HA 0.633 4.312 4.120 -0.736 0.000 0.308 320 V C -2.775 173.295 176.094 -0.040 0.000 1.062 320 V CA -2.892 59.405 62.300 -0.004 0.000 0.901 320 V CB 2.178 33.897 31.823 -0.174 0.000 1.003 320 V HN 0.505 nan 8.190 nan 0.000 0.425 321 P HA 0.311 nan 4.420 nan 0.000 0.268 321 P C 0.072 177.289 177.300 -0.139 0.000 1.205 321 P CA 0.063 63.128 63.100 -0.059 0.000 0.771 321 P CB 0.364 32.048 31.700 -0.027 0.000 0.858 322 I N 1.908 122.342 120.570 -0.226 0.000 2.710 322 I HA 0.067 3.795 4.170 -0.736 0.000 0.286 322 I C 1.719 177.727 176.117 -0.181 0.000 1.181 322 I CA 1.484 62.597 61.300 -0.311 0.000 1.430 322 I CB -0.423 37.177 38.000 -0.667 0.000 1.367 322 I HN 0.749 nan 8.210 nan 0.000 0.577 323 G N 4.451 113.161 108.800 -0.150 0.000 2.234 323 G HA2 -0.200 3.318 3.960 -0.736 0.000 0.235 323 G HA3 -0.200 3.318 3.960 -0.736 0.000 0.235 323 G C 0.273 175.102 174.900 -0.119 0.000 0.997 323 G CA -0.420 44.622 45.100 -0.097 0.000 0.623 323 G HN 0.460 nan 8.290 nan 0.000 0.514 324 K N 1.315 121.628 120.400 -0.145 0.000 2.206 324 K HA 0.624 4.503 4.320 -0.736 0.000 0.264 324 K C 0.792 177.257 176.600 -0.224 0.000 0.967 324 K CA 0.569 56.760 56.287 -0.161 0.000 0.844 324 K CB 1.093 33.521 32.500 -0.120 0.000 1.099 324 K HN 1.623 nan 8.250 nan 0.000 0.441 325 G N 1.978 110.610 108.800 -0.280 0.000 2.829 325 G HA2 -0.279 3.240 3.960 -0.736 0.000 0.628 325 G HA3 -0.279 3.240 3.960 -0.736 0.000 0.628 325 G C 0.450 175.112 174.900 -0.397 0.000 1.412 325 G CA -0.420 44.459 45.100 -0.369 0.000 0.864 325 G HN 0.397 nan 8.290 nan 0.000 0.544 326 F N 0.886 120.740 119.950 -0.160 0.000 2.186 326 F HA 0.147 4.233 4.527 -0.735 0.000 0.299 326 F C 3.056 178.719 175.800 -0.228 0.000 1.090 326 F CA 2.374 60.273 58.000 -0.169 0.000 1.307 326 F CB -0.713 38.195 39.000 -0.152 0.000 1.019 326 F HN 0.710 nan 8.300 nan 0.000 0.489 327 A N 0.292 123.001 122.820 -0.185 0.000 1.898 327 A HA -0.008 3.870 4.320 -0.736 0.000 0.216 327 A C 2.570 179.932 177.584 -0.370 0.000 1.181 327 A CA 1.670 53.457 52.037 -0.416 0.000 0.620 327 A CB -1.543 16.870 19.000 -0.978 0.000 0.819 327 A HN 0.387 nan 8.150 nan 0.000 0.442 328 G N -0.085 108.505 108.800 -0.349 0.000 2.408 328 G HA2 -0.146 3.372 3.960 -0.736 0.000 0.217 328 G HA3 -0.146 3.372 3.960 -0.736 0.000 0.217 328 G C 1.506 176.294 174.900 -0.186 0.000 1.150 328 G CA 1.070 46.008 45.100 -0.270 0.000 0.776 328 G HN 0.463 nan 8.290 nan 0.000 0.542 329 I N 0.341 120.818 120.570 -0.155 0.000 2.226 329 I HA -0.147 3.582 4.170 -0.736 0.000 0.245 329 I C 2.738 178.815 176.117 -0.067 0.000 1.100 329 I CA 0.518 61.762 61.300 -0.093 0.000 1.374 329 I CB -0.121 37.838 38.000 -0.068 0.000 1.057 329 I HN 0.024 nan 8.210 nan 0.000 0.413 330 V N 0.844 120.712 119.914 -0.076 0.000 2.427 330 V HA -0.255 3.423 4.120 -0.736 0.000 0.248 330 V C 2.670 178.708 176.094 -0.094 0.000 1.051 330 V CA 1.831 64.089 62.300 -0.069 0.000 1.048 330 V CB -0.978 30.797 31.823 -0.080 0.000 0.666 330 V HN 0.487 nan 8.190 nan 0.000 0.456 331 A N 0.011 122.750 122.820 -0.136 0.000 1.933 331 A HA -0.100 3.778 4.320 -0.736 0.000 0.218 331 A C 2.348 179.878 177.584 -0.090 0.000 1.175 331 A CA 2.064 54.019 52.037 -0.138 0.000 0.628 331 A CB -0.585 18.308 19.000 -0.178 0.000 0.814 331 A HN 0.570 nan 8.150 nan 0.000 0.444 332 A N -0.325 122.449 122.820 -0.077 0.000 2.016 332 A HA 0.082 3.960 4.320 -0.736 0.000 0.217 332 A C 2.337 179.927 177.584 0.009 0.000 1.162 332 A CA 1.869 53.889 52.037 -0.027 0.000 0.662 332 A CB -0.460 18.524 19.000 -0.027 0.000 0.812 332 A HN 0.929 nan 8.150 nan 0.000 0.450 333 S N -2.535 113.168 115.700 0.006 0.000 2.497 333 S HA 0.385 4.413 4.470 -0.736 0.000 0.218 333 S C 1.471 176.111 174.600 0.067 0.000 1.023 333 S CA 1.125 59.344 58.200 0.032 0.000 0.913 333 S CB -0.165 63.049 63.200 0.024 0.000 0.800 333 S HN 1.816 nan 8.310 nan 0.000 0.505 334 G N 1.235 110.077 108.800 0.069 0.000 2.179 334 G HA2 -0.218 3.300 3.960 -0.736 0.000 0.257 334 G HA3 -0.218 3.300 3.960 -0.736 0.000 0.257 334 G C -0.246 174.765 174.900 0.185 0.000 1.010 334 G CA 0.426 45.626 45.100 0.166 0.000 0.736 334 G HN 0.619 nan 8.290 nan 0.000 0.513 335 Q N -0.119 119.733 119.800 0.085 0.000 2.337 335 Q HA 0.354 4.252 4.340 -0.736 0.000 0.270 335 Q C 0.336 176.356 176.000 0.034 0.000 1.043 335 Q CA -0.905 54.942 55.803 0.074 0.000 0.794 335 Q CB 2.080 30.853 28.738 0.058 0.000 1.281 335 Q HN 0.635 nan 8.270 nan 0.000 0.446 336 K N 1.903 122.321 120.400 0.031 0.000 2.336 336 K HA 0.353 4.231 4.320 -0.736 0.000 0.262 336 K C -0.769 175.830 176.600 -0.002 0.000 0.992 336 K CA -0.060 56.228 56.287 0.001 0.000 0.927 336 K CB 0.643 33.143 32.500 -0.000 0.000 0.956 336 K HN 0.454 nan 8.250 nan 0.000 0.495 337 L N 1.604 122.812 121.223 -0.026 0.000 2.436 337 L HA 0.283 4.181 4.340 -0.736 0.000 0.268 337 L C -0.980 175.838 176.870 -0.087 0.000 0.974 337 L CA -1.012 53.807 54.840 -0.036 0.000 0.826 337 L CB 2.154 44.205 42.059 -0.014 0.000 1.291 337 L HN 0.777 nan 8.230 nan 0.000 0.406 338 N N 4.292 122.947 118.700 -0.076 0.000 2.524 338 N HA 0.359 4.657 4.740 -0.736 0.000 0.261 338 N C -1.276 174.176 175.510 -0.097 0.000 0.998 338 N CA -0.471 52.537 53.050 -0.069 0.000 0.915 338 N CB 1.098 39.580 38.487 -0.008 0.000 1.187 338 N HN 0.343 nan 8.380 nan 0.000 0.507 339 I N 5.414 125.869 120.570 -0.191 0.000 2.297 339 I HA 0.383 4.111 4.170 -0.736 0.000 0.291 339 I C -1.967 174.085 176.117 -0.107 0.000 1.033 339 I CA -2.285 58.854 61.300 -0.268 0.000 1.253 339 I CB 0.795 38.391 38.000 -0.673 0.000 1.396 339 I HN 0.307 nan 8.210 nan 0.000 0.476 340 P HA 0.175 nan 4.420 nan 0.000 0.278 340 P C -0.376 176.942 177.300 0.031 0.000 1.266 340 P CA -0.547 62.566 63.100 0.022 0.000 0.807 340 P CB 0.851 32.575 31.700 0.039 0.000 1.094 341 F N 1.335 121.241 119.950 -0.073 0.000 2.607 341 F HA 0.052 4.137 4.527 -0.737 0.000 0.374 341 F C 0.611 176.388 175.800 -0.037 0.000 1.104 341 F CA 0.520 58.476 58.000 -0.072 0.000 1.296 341 F CB 0.016 38.959 39.000 -0.096 0.000 1.085 341 F HN 0.162 nan 8.300 nan 0.000 0.584 342 D N 5.950 125.923 120.400 -0.712 0.000 2.274 342 D HA 0.065 4.263 4.640 -0.736 0.000 0.239 342 D C 0.906 177.000 176.300 -0.343 0.000 1.104 342 D CA -0.298 53.058 54.000 -1.073 0.000 0.840 342 D CB 1.264 41.279 40.800 -1.308 0.000 1.100 342 D HN 0.783 nan 8.370 nan 0.000 0.477 343 L N 5.090 126.205 121.223 -0.179 0.000 2.129 343 L HA -0.233 3.665 4.340 -0.736 0.000 0.212 343 L C 1.321 178.318 176.870 0.212 0.000 1.087 343 L CA 1.419 56.264 54.840 0.008 0.000 0.757 343 L CB -0.310 41.754 42.059 0.008 0.000 0.896 343 L HN 0.487 nan 8.230 nan 0.000 0.434 344 Y N 0.175 120.426 120.300 -0.083 0.000 2.483 344 Y HA -0.208 3.900 4.550 -0.736 0.000 0.291 344 Y C 2.125 178.006 175.900 -0.031 0.000 1.143 344 Y CA 0.947 59.023 58.100 -0.041 0.000 1.289 344 Y CB -0.632 37.758 38.460 -0.116 0.000 0.983 344 Y HN 0.372 nan 8.280 nan 0.000 0.556 345 D N -2.010 118.438 120.400 0.080 0.000 2.347 345 D HA -0.084 4.114 4.640 -0.736 0.000 0.213 345 D C 0.767 177.108 176.300 0.069 0.000 0.985 345 D CA 0.458 54.477 54.000 0.031 0.000 0.879 345 D CB -0.318 40.462 40.800 -0.034 0.000 0.919 345 D HN 0.285 nan 8.370 nan 0.000 0.526 346 H N 1.771 120.875 119.070 0.056 0.000 2.652 346 H HA 0.036 4.151 4.556 -0.736 0.000 0.349 346 H C -1.457 173.923 175.328 0.087 0.000 1.099 346 H CA -1.170 54.940 56.048 0.103 0.000 1.417 346 H CB 1.853 31.745 29.762 0.217 0.000 1.457 346 H HN -0.126 nan 8.280 nan 0.000 0.568 347 P HA -0.073 nan 4.420 nan 0.000 0.230 347 P C 0.140 177.439 177.300 -0.001 0.000 1.158 347 P CA 0.866 63.899 63.100 -0.112 0.000 0.769 347 P CB 0.486 32.070 31.700 -0.194 0.000 0.807 348 D N -0.655 119.868 120.400 0.204 0.000 2.388 348 D HA 0.024 4.222 4.640 -0.736 0.000 0.221 348 D C 1.320 177.438 176.300 -0.303 0.000 1.133 348 D CA 0.356 54.308 54.000 -0.079 0.000 0.831 348 D CB 0.104 40.783 40.800 -0.202 0.000 0.962 348 D HN 0.246 nan 8.370 nan 0.000 0.502 349 S N -0.643 115.066 115.700 0.015 0.000 2.593 349 S HA 0.186 4.214 4.470 -0.736 0.000 0.217 349 S C 1.950 176.508 174.600 -0.070 0.000 0.966 349 S CA 0.134 58.379 58.200 0.075 0.000 0.914 349 S CB 0.425 63.748 63.200 0.205 0.000 0.776 349 S HN 0.143 nan 8.310 nan 0.000 0.523 350 A N 2.280 125.036 122.820 -0.107 0.000 1.908 350 A HA -0.066 3.813 4.320 -0.736 0.000 0.218 350 A C 2.344 179.884 177.584 -0.073 0.000 1.181 350 A CA 2.178 54.158 52.037 -0.094 0.000 0.627 350 A CB -1.645 17.308 19.000 -0.079 0.000 0.818 350 A HN 0.545 nan 8.150 nan 0.000 0.445 351 T N 0.200 114.701 114.554 -0.089 0.000 2.708 351 T HA -0.004 3.904 4.350 -0.736 0.000 0.266 351 T C 2.253 176.964 174.700 0.019 0.000 1.037 351 T CA 1.583 63.652 62.100 -0.052 0.000 1.146 351 T CB -0.485 68.322 68.868 -0.102 0.000 0.865 351 T HN 0.614 nan 8.240 nan 0.000 0.435 352 A N 1.823 124.678 122.820 0.059 0.000 1.908 352 A HA -0.172 3.707 4.320 -0.736 0.000 0.218 352 A C 2.246 179.929 177.584 0.166 0.000 1.181 352 A CA 1.732 53.871 52.037 0.170 0.000 0.627 352 A CB -0.488 18.681 19.000 0.282 0.000 0.818 352 A HN 0.472 nan 8.150 nan 0.000 0.445 353 K N -1.151 119.257 120.400 0.014 0.000 2.103 353 K HA -0.216 3.662 4.320 -0.736 0.000 0.207 353 K C 2.376 179.051 176.600 0.124 0.000 1.048 353 K CA 1.695 58.003 56.287 0.035 0.000 0.930 353 K CB -0.106 32.303 32.500 -0.151 0.000 0.716 353 K HN 0.510 nan 8.250 nan 0.000 0.444 354 Q N 1.143 120.971 119.800 0.048 0.000 2.083 354 Q HA -0.011 3.888 4.340 -0.736 0.000 0.198 354 Q C 1.786 177.802 176.000 0.027 0.000 0.969 354 Q CA 1.293 57.100 55.803 0.008 0.000 0.838 354 Q CB -0.021 28.718 28.738 0.001 0.000 0.900 354 Q HN 0.271 nan 8.270 nan 0.000 0.436 355 I N 0.640 121.259 120.570 0.082 0.000 2.315 355 I HA -0.248 3.480 4.170 -0.736 0.000 0.248 355 I C 1.532 177.734 176.117 0.143 0.000 1.117 355 I CA 1.135 62.503 61.300 0.113 0.000 1.404 355 I CB -0.253 37.841 38.000 0.157 0.000 1.071 355 I HN 0.195 nan 8.210 nan 0.000 0.419 356 D N 0.650 121.175 120.400 0.207 0.000 2.092 356 D HA -0.220 3.978 4.640 -0.736 0.000 0.193 356 D C 2.255 178.629 176.300 0.123 0.000 0.994 356 D CA 1.380 55.546 54.000 0.276 0.000 0.828 356 D CB -0.307 40.778 40.800 0.475 0.000 0.963 356 D HN 0.402 nan 8.370 nan 0.000 0.450 357 Q N -0.015 119.732 119.800 -0.089 0.000 2.124 357 Q HA -0.157 3.741 4.340 -0.736 0.000 0.202 357 Q C 2.217 178.140 176.000 -0.128 0.000 0.977 357 Q CA 1.025 56.630 55.803 -0.329 0.000 0.850 357 Q CB -0.093 28.301 28.738 -0.573 0.000 0.901 357 Q HN 0.394 nan 8.270 nan 0.000 0.429 358 Q N -0.085 119.687 119.800 -0.048 0.000 2.230 358 Q HA -0.065 3.833 4.340 -0.736 0.000 0.202 358 Q C 1.036 177.055 176.000 0.032 0.000 0.963 358 Q CA 0.779 56.577 55.803 -0.008 0.000 0.866 358 Q CB 0.326 29.070 28.738 0.010 0.000 0.931 358 Q HN 0.324 nan 8.270 nan 0.000 0.452 359 N N -1.167 117.579 118.700 0.077 0.000 2.236 359 N HA 0.087 4.386 4.740 -0.736 0.000 0.196 359 N C 0.296 175.904 175.510 0.163 0.000 1.114 359 N CA 0.844 53.958 53.050 0.106 0.000 0.859 359 N CB 1.285 39.844 38.487 0.120 0.000 0.982 359 N HN 0.249 nan 8.380 nan 0.000 0.493 360 G N 0.976 109.883 108.800 0.178 0.000 2.273 360 G HA2 -0.308 3.210 3.960 -0.736 0.000 0.280 360 G HA3 -0.308 3.210 3.960 -0.736 0.000 0.280 360 G C -0.427 174.774 174.900 0.501 0.000 1.047 360 G CA 0.612 45.870 45.100 0.263 0.000 0.869 360 G HN 0.422 nan 8.290 nan 0.000 0.502 361 Y N -0.886 119.596 120.300 0.302 0.000 2.693 361 Y HA 0.844 4.952 4.550 -0.737 0.000 0.331 361 Y C 0.001 175.972 175.900 0.117 0.000 1.092 361 Y CA -2.237 55.999 58.100 0.227 0.000 1.131 361 Y CB 1.724 40.262 38.460 0.130 0.000 1.318 361 Y HN 0.282 nan 8.280 nan 0.000 0.510 362 R N 1.031 121.088 120.500 -0.739 0.000 2.531 362 R HA 0.397 4.295 4.340 -0.736 0.000 0.293 362 R C -2.014 173.937 176.300 -0.581 0.000 1.124 362 R CA -0.327 55.457 56.100 -0.527 0.000 0.945 362 R CB 0.954 30.765 30.300 -0.814 0.000 1.195 362 R HN 0.635 nan 8.270 nan 0.000 0.433 363 T N 4.136 118.595 114.554 -0.158 0.000 2.743 363 T HA 0.257 4.165 4.350 -0.736 0.000 0.293 363 T C 0.367 174.999 174.700 -0.113 0.000 0.945 363 T CA -0.385 61.674 62.100 -0.068 0.000 1.030 363 T CB 0.712 69.689 68.868 0.182 0.000 0.912 363 T HN 0.735 nan 8.240 nan 0.000 0.483 364 C N 2.104 121.316 119.300 -0.147 0.000 2.628 364 C HA 0.341 4.360 4.460 -0.736 0.000 0.393 364 C C 1.279 176.268 174.990 -0.002 0.000 1.328 364 C CA -0.398 58.579 59.018 -0.068 0.000 2.079 364 C CB -0.341 27.470 27.740 0.119 0.000 2.663 364 C HN 0.920 nan 8.230 nan 0.000 0.557 365 S N -0.088 115.601 115.700 -0.017 0.000 2.588 365 S HA 0.837 4.866 4.470 -0.736 0.000 0.275 365 S C -1.518 173.156 174.600 0.123 0.000 1.130 365 S CA -0.472 57.740 58.200 0.020 0.000 0.855 365 S CB 2.102 65.282 63.200 -0.033 0.000 1.116 365 S HN 0.130 nan 8.310 nan 0.000 0.472 366 L N 1.261 122.573 121.223 0.149 0.000 2.565 366 L HA 0.694 4.593 4.340 -0.736 0.000 0.261 366 L C -2.174 174.640 176.870 -0.092 0.000 0.932 366 L CA -0.507 54.345 54.840 0.021 0.000 0.878 366 L CB 2.040 43.985 42.059 -0.191 0.000 1.333 366 L HN 0.904 nan 8.230 nan 0.000 0.409 367 L N 5.168 126.193 121.223 -0.330 0.000 2.319 367 L HA 0.682 4.581 4.340 -0.736 0.000 0.281 367 L C -1.287 175.427 176.870 -0.261 0.000 1.005 367 L CA -0.103 54.514 54.840 -0.372 0.000 0.828 367 L CB 1.314 42.954 42.059 -0.700 0.000 1.227 367 L HN 0.759 nan 8.230 nan 0.000 0.415 368 C N 7.118 126.319 119.300 -0.165 0.000 2.319 368 C HA 0.817 4.835 4.460 -0.736 0.000 0.323 368 C C -0.404 174.533 174.990 -0.088 0.000 1.277 368 C CA -0.640 58.313 59.018 -0.108 0.000 1.517 368 C CB 0.239 27.930 27.740 -0.081 0.000 2.206 368 C HN 0.917 nan 8.230 nan 0.000 0.486 369 M N 8.064 127.615 119.600 -0.082 0.000 2.446 369 M HA 0.466 4.505 4.480 -0.736 0.000 0.294 369 M C -2.537 173.702 176.300 -0.103 0.000 1.158 369 M CA -1.473 53.786 55.300 -0.069 0.000 0.899 369 M CB 2.688 35.258 32.600 -0.050 0.000 1.687 369 M HN 0.419 nan 8.290 nan 0.000 0.455 370 P HA 0.328 nan 4.420 nan 0.000 0.278 370 P C -1.161 175.903 177.300 -0.394 0.000 1.238 370 P CA -0.415 62.481 63.100 -0.340 0.000 0.794 370 P CB 1.109 32.541 31.700 -0.447 0.000 0.955 371 V N 3.462 123.076 119.914 -0.500 0.000 2.487 371 V HA 0.429 4.107 4.120 -0.736 0.000 0.298 371 V C -0.127 175.688 176.094 -0.464 0.000 1.028 371 V CA -0.262 61.843 62.300 -0.325 0.000 0.860 371 V CB 0.822 32.544 31.823 -0.168 0.000 0.991 371 V HN 0.394 nan 8.190 nan 0.000 0.427 372 F N 1.973 121.916 119.950 -0.013 0.000 2.594 372 F HA 0.558 4.643 4.527 -0.737 0.000 0.335 372 F C 0.764 176.559 175.800 -0.009 0.000 1.058 372 F CA -0.715 57.279 58.000 -0.009 0.000 0.981 372 F CB 1.312 40.306 39.000 -0.009 0.000 1.289 372 F HN 0.373 nan 8.300 nan 0.000 0.490 373 N N -0.040 118.803 118.700 0.239 0.000 2.385 373 N HA 0.186 4.485 4.740 -0.736 0.000 0.291 373 N C 1.252 176.819 175.510 0.095 0.000 1.298 373 N CA 0.603 53.727 53.050 0.123 0.000 0.955 373 N CB 0.344 38.893 38.487 0.104 0.000 1.096 373 N HN 0.755 nan 8.380 nan 0.000 0.543 374 G N -1.018 107.816 108.800 0.058 0.000 2.511 374 G HA2 -0.133 3.386 3.960 -0.736 0.000 0.217 374 G HA3 -0.133 3.386 3.960 -0.736 0.000 0.217 374 G C -0.060 174.852 174.900 0.021 0.000 1.133 374 G CA 0.716 45.837 45.100 0.035 0.000 0.792 374 G HN 0.711 nan 8.290 nan 0.000 0.539 375 D N -1.611 118.807 120.400 0.031 0.000 2.892 375 D HA 0.295 4.494 4.640 -0.736 0.000 0.291 375 D C 0.631 176.937 176.300 0.010 0.000 1.341 375 D CA -0.718 53.289 54.000 0.013 0.000 0.844 375 D CB -0.068 40.743 40.800 0.018 0.000 1.093 375 D HN 0.234 nan 8.370 nan 0.000 0.480 376 Q N -0.742 119.053 119.800 -0.008 0.000 2.439 376 Q HA -0.288 3.610 4.340 -0.736 0.000 0.247 376 Q C -0.372 175.706 176.000 0.130 0.000 0.899 376 Q CA 1.249 57.001 55.803 -0.086 0.000 1.201 376 Q CB -1.442 27.186 28.738 -0.183 0.000 1.608 376 Q HN 0.721 nan 8.270 nan 0.000 0.563 377 E N 0.727 121.050 120.200 0.205 0.000 2.200 377 E HA 0.367 4.275 4.350 -0.736 0.000 0.283 377 E C -0.732 176.039 176.600 0.285 0.000 1.015 377 E CA -0.477 56.052 56.400 0.215 0.000 0.819 377 E CB 0.734 30.505 29.700 0.118 0.000 1.081 377 E HN 0.270 nan 8.360 nan 0.000 0.397 378 L N 6.341 127.694 121.223 0.217 0.000 2.410 378 L HA 0.126 4.025 4.340 -0.736 0.000 0.273 378 L C 0.642 177.477 176.870 -0.058 0.000 1.144 378 L CA 0.427 55.227 54.840 -0.066 0.000 0.863 378 L CB 0.401 42.375 42.059 -0.143 0.000 1.140 378 L HN 0.726 nan 8.230 nan 0.000 0.463 379 I N 1.342 121.847 120.570 -0.109 0.000 4.240 379 I HA 0.629 4.358 4.170 -0.736 0.000 0.331 379 I C 0.460 176.523 176.117 -0.090 0.000 1.381 379 I CA -0.020 61.245 61.300 -0.058 0.000 1.136 379 I CB 0.401 38.389 38.000 -0.019 0.000 1.137 379 I HN 0.590 nan 8.210 nan 0.000 0.411 380 G N 0.519 109.231 108.800 -0.147 0.000 2.506 380 G HA2 0.570 4.088 3.960 -0.736 0.000 0.292 380 G HA3 0.570 4.088 3.960 -0.736 0.000 0.292 380 G C -1.929 172.884 174.900 -0.146 0.000 1.425 380 G CA -0.474 44.551 45.100 -0.125 0.000 0.788 380 G HN -0.107 nan 8.290 nan 0.000 0.490 381 V N 0.905 120.781 119.914 -0.063 0.000 2.612 381 V HA 0.623 4.301 4.120 -0.736 0.000 0.301 381 V C 0.273 176.400 176.094 0.055 0.000 1.059 381 V CA -0.356 61.914 62.300 -0.050 0.000 0.886 381 V CB 1.620 33.390 31.823 -0.089 0.000 1.007 381 V HN 1.263 nan 8.190 nan 0.000 0.426 382 T N 2.259 116.811 114.554 -0.003 0.000 2.922 382 T HA 0.733 4.642 4.350 -0.736 0.000 0.285 382 T C -0.556 174.154 174.700 0.017 0.000 1.005 382 T CA -0.667 61.438 62.100 0.008 0.000 1.061 382 T CB 1.673 70.516 68.868 -0.041 0.000 1.007 382 T HN 0.635 nan 8.240 nan 0.000 0.502 383 Q N 1.353 121.168 119.800 0.025 0.000 2.323 383 Q HA 0.475 4.373 4.340 -0.736 0.000 0.271 383 Q C -1.086 174.849 176.000 -0.109 0.000 1.048 383 Q CA -0.712 55.078 55.803 -0.022 0.000 0.792 383 Q CB 2.644 31.452 28.738 0.117 0.000 1.280 383 Q HN 0.626 nan 8.270 nan 0.000 0.441 384 L N 2.336 123.407 121.223 -0.253 0.000 2.289 384 L HA 0.562 4.460 4.340 -0.736 0.000 0.285 384 L C -0.548 176.235 176.870 -0.145 0.000 1.049 384 L CA -0.937 53.725 54.840 -0.297 0.000 0.804 384 L CB 1.291 42.952 42.059 -0.662 0.000 1.195 384 L HN 0.291 nan 8.230 nan 0.000 0.428 385 V N 3.241 123.191 119.914 0.060 0.000 2.407 385 V HA 0.347 4.026 4.120 -0.736 0.000 0.291 385 V C -0.468 175.686 176.094 0.100 0.000 1.018 385 V CA -0.801 61.567 62.300 0.113 0.000 0.842 385 V CB 1.260 33.132 31.823 0.082 0.000 0.996 385 V HN 0.894 nan 8.190 nan 0.000 0.426 386 N N 2.353 121.082 118.700 0.048 0.000 2.531 386 N HA -0.148 4.151 4.740 -0.736 0.000 0.279 386 N C -0.254 175.096 175.510 -0.267 0.000 1.267 386 N CA 0.439 53.309 53.050 -0.300 0.000 0.663 386 N CB -0.382 37.537 38.487 -0.948 0.000 0.886 386 N HN 0.903 nan 8.380 nan 0.000 0.544 387 K N 1.757 121.802 120.400 -0.593 0.000 2.491 387 K HA -0.010 3.868 4.320 -0.736 0.000 0.279 387 K C 0.100 176.535 176.600 -0.275 0.000 1.026 387 K CA 0.567 56.443 56.287 -0.685 0.000 1.070 387 K CB 0.457 32.281 32.500 -1.127 0.000 0.887 387 K HN 0.182 nan 8.250 nan 0.000 0.481 388 K N 4.242 124.572 120.400 -0.117 0.000 2.276 388 K HA 0.062 3.941 4.320 -0.736 0.000 0.283 388 K C -0.192 176.380 176.600 -0.046 0.000 1.044 388 K CA -0.428 55.869 56.287 0.016 0.000 0.944 388 K CB 0.979 33.532 32.500 0.087 0.000 1.012 388 K HN 0.480 nan 8.250 nan 0.000 0.472 389 K N 1.925 122.281 120.400 -0.075 0.000 2.401 389 K HA 0.019 3.897 4.320 -0.736 0.000 0.278 389 K C -0.452 176.208 176.600 0.099 0.000 1.018 389 K CA 0.009 56.255 56.287 -0.069 0.000 0.981 389 K CB 0.574 32.945 32.500 -0.216 0.000 0.933 389 K HN 0.451 nan 8.250 nan 0.000 0.477 390 T N 2.311 116.913 114.554 0.081 0.000 2.940 390 T HA 0.375 4.283 4.350 -0.736 0.000 0.309 390 T C 0.241 175.043 174.700 0.171 0.000 1.056 390 T CA 0.571 62.727 62.100 0.094 0.000 1.137 390 T CB 0.796 69.681 68.868 0.029 0.000 0.976 390 T HN 0.904 nan 8.240 nan 0.000 0.547 391 G N 2.148 110.990 108.800 0.070 0.000 2.371 391 G HA2 0.077 3.596 3.960 -0.736 0.000 0.663 391 G HA3 0.077 3.596 3.960 -0.736 0.000 0.663 391 G C -1.664 173.069 174.900 -0.278 0.000 1.311 391 G CA -0.989 44.024 45.100 -0.145 0.000 0.985 391 G HN 0.561 nan 8.290 nan 0.000 0.566 392 E N -0.344 119.520 120.200 -0.559 0.000 2.175 392 E HA 0.729 4.638 4.350 -0.736 0.000 0.278 392 E C -0.872 175.219 176.600 -0.848 0.000 0.969 392 E CA -0.077 56.051 56.400 -0.453 0.000 0.796 392 E CB 1.433 30.969 29.700 -0.272 0.000 1.104 392 E HN 0.350 nan 8.360 nan 0.000 0.395 393 F N 0.963 120.878 119.950 -0.058 0.000 2.631 393 F HA 0.377 4.462 4.527 -0.737 0.000 0.308 393 F C -1.935 173.825 175.800 -0.067 0.000 1.097 393 F CA -1.993 55.962 58.000 -0.076 0.000 0.952 393 F CB 0.947 39.877 39.000 -0.116 0.000 1.307 393 F HN 0.209 nan 8.300 nan 0.000 0.450 394 P HA 0.347 nan 4.420 nan 0.000 0.274 394 P C -2.620 174.703 177.300 0.038 0.000 1.237 394 P CA -1.085 62.046 63.100 0.051 0.000 0.793 394 P CB -0.242 31.474 31.700 0.027 0.000 0.977 395 P HA -0.014 nan 4.420 nan 0.000 0.267 395 P C -0.648 176.674 177.300 0.037 0.000 1.200 395 P CA -0.077 63.053 63.100 0.049 0.000 0.772 395 P CB 0.072 31.810 31.700 0.064 0.000 0.855 396 Y N 2.495 122.752 120.300 -0.072 0.000 2.610 396 Y HA 0.091 4.199 4.550 -0.736 0.000 0.332 396 Y C 0.317 176.231 175.900 0.023 0.000 1.201 396 Y CA 0.191 58.253 58.100 -0.064 0.000 1.465 396 Y CB 0.123 38.556 38.460 -0.045 0.000 1.283 396 Y HN 0.270 nan 8.280 nan 0.000 0.563 397 N N 7.819 126.045 118.700 -0.790 0.000 2.443 397 N HA 0.313 4.612 4.740 -0.736 0.000 0.269 397 N C -2.274 172.704 175.510 -0.887 0.000 0.985 397 N CA -2.483 50.212 53.050 -0.591 0.000 0.921 397 N CB 1.914 40.235 38.487 -0.277 0.000 1.195 397 N HN 0.366 nan 8.380 nan 0.000 0.492 398 P HA -0.093 nan 4.420 nan 0.000 0.223 398 P C 0.477 177.772 177.300 -0.009 0.000 1.144 398 P CA 0.958 63.956 63.100 -0.169 0.000 0.783 398 P CB 0.557 32.297 31.700 0.066 0.000 0.771 399 E N -0.255 119.907 120.200 -0.062 0.000 2.338 399 E HA -0.089 3.820 4.350 -0.736 0.000 0.197 399 E C 1.696 178.326 176.600 0.051 0.000 1.007 399 E CA 1.565 57.972 56.400 0.012 0.000 0.849 399 E CB -0.776 28.916 29.700 -0.013 0.000 0.774 399 E HN 0.445 nan 8.360 nan 0.000 0.506 400 T N -2.844 111.714 114.554 0.007 0.000 3.129 400 T HA -0.069 3.840 4.350 -0.736 0.000 0.251 400 T C 0.506 175.308 174.700 0.169 0.000 1.117 400 T CA -0.504 61.629 62.100 0.054 0.000 1.034 400 T CB -0.480 68.382 68.868 -0.010 0.000 0.968 400 T HN 0.137 nan 8.240 nan 0.000 0.526 401 W N 4.237 125.592 121.300 0.093 0.000 2.314 401 W HA 0.243 4.461 4.660 -0.736 0.000 0.339 401 W C -1.652 174.940 176.519 0.121 0.000 1.293 401 W CA -1.471 55.974 57.345 0.167 0.000 1.288 401 W CB 0.861 30.442 29.460 0.202 0.000 1.186 401 W HN 0.073 nan 8.180 nan 0.000 0.566 402 P HA 0.123 nan 4.420 nan 0.000 0.259 402 P C -0.239 176.734 177.300 -0.546 0.000 1.530 402 P CA 0.020 62.342 63.100 -1.297 0.000 1.022 402 P CB -0.159 30.596 31.700 -1.575 0.000 1.514 403 I N 1.410 121.844 120.570 -0.226 0.000 2.598 403 I HA 0.102 3.830 4.170 -0.736 0.000 0.284 403 I C 1.015 177.077 176.117 -0.093 0.000 1.140 403 I CA -0.897 60.327 61.300 -0.126 0.000 1.420 403 I CB 0.135 38.112 38.000 -0.038 0.000 1.387 403 I HN 0.019 nan 8.210 nan 0.000 0.553 404 A N 10.070 132.819 122.820 -0.118 0.000 2.454 404 A HA 0.471 4.349 4.320 -0.736 0.000 0.260 404 A C -1.984 175.580 177.584 -0.033 0.000 1.106 404 A CA -0.972 51.026 52.037 -0.065 0.000 0.780 404 A CB -0.540 18.507 19.000 0.077 0.000 1.044 404 A HN 0.535 nan 8.150 nan 0.000 0.498 405 P HA 0.119 nan 4.420 nan 0.000 0.275 405 P C 0.354 177.454 177.300 -0.332 0.000 1.228 405 P CA -0.226 62.764 63.100 -0.183 0.000 0.786 405 P CB 1.003 32.550 31.700 -0.255 0.000 0.927 406 E N 1.208 121.178 120.200 -0.383 0.000 2.204 406 E HA -0.188 3.720 4.350 -0.736 0.000 0.195 406 E C 1.481 177.500 176.600 -0.969 0.000 0.990 406 E CA 1.421 57.488 56.400 -0.554 0.000 0.821 406 E CB -0.243 29.204 29.700 -0.421 0.000 0.750 406 E HN 0.591 nan 8.360 nan 0.000 0.477 407 C N -0.297 118.332 119.300 -1.119 0.000 2.422 407 C HA -0.006 4.013 4.460 -0.736 0.000 0.286 407 C C 1.567 176.240 174.990 -0.528 0.000 1.412 407 C CA -0.290 58.055 59.018 -1.121 0.000 1.786 407 C CB -1.148 26.118 27.740 -0.790 0.000 1.835 407 C HN 0.257 nan 8.230 nan 0.000 0.533 408 F N 0.707 120.403 119.950 -0.423 0.000 2.668 408 F HA 0.339 4.424 4.527 -0.736 0.000 0.301 408 F C 1.084 176.626 175.800 -0.431 0.000 1.106 408 F CA -0.927 56.875 58.000 -0.330 0.000 1.289 408 F CB -0.907 37.946 39.000 -0.246 0.000 1.006 408 F HN 0.339 nan 8.300 nan 0.000 0.535 409 Q N 1.606 121.097 119.800 -0.515 0.000 2.837 409 Q HA 0.594 4.493 4.340 -0.736 0.000 0.235 409 Q C -0.068 175.531 176.000 -0.668 0.000 1.348 409 Q CA -0.196 54.976 55.803 -1.052 0.000 0.990 409 Q CB 0.353 28.503 28.738 -0.979 0.000 1.570 409 Q HN 0.298 nan 8.270 nan 0.000 0.575 410 A N 0.790 123.322 122.820 -0.479 0.000 2.566 410 A HA 0.743 4.621 4.320 -0.736 0.000 0.290 410 A C -1.128 176.317 177.584 -0.231 0.000 1.071 410 A CA -0.649 51.211 52.037 -0.296 0.000 0.658 410 A CB 1.660 20.499 19.000 -0.268 0.000 1.285 410 A HN 0.307 nan 8.150 nan 0.000 0.427 411 S N -0.591 114.966 115.700 -0.238 0.000 2.595 411 S HA 0.797 4.825 4.470 -0.736 0.000 0.281 411 S C -1.019 173.383 174.600 -0.330 0.000 1.117 411 S CA -0.417 57.646 58.200 -0.229 0.000 0.873 411 S CB 0.889 64.059 63.200 -0.050 0.000 1.108 411 S HN 0.513 nan 8.310 nan 0.000 0.477 412 F N 2.500 122.428 119.950 -0.036 0.000 2.410 412 F HA 0.392 4.477 4.527 -0.738 0.000 0.334 412 F C 0.987 176.770 175.800 -0.028 0.000 1.134 412 F CA -0.296 57.682 58.000 -0.037 0.000 1.227 412 F CB 0.634 39.608 39.000 -0.043 0.000 1.194 412 F HN 0.597 nan 8.300 nan 0.000 0.571 413 D N 0.092 120.591 120.400 0.165 0.000 2.654 413 D HA 0.283 4.481 4.640 -0.736 0.000 0.255 413 D C 0.837 177.189 176.300 0.086 0.000 1.101 413 D CA -0.907 53.144 54.000 0.085 0.000 1.116 413 D CB 0.442 41.265 40.800 0.038 0.000 1.348 413 D HN 0.488 nan 8.370 nan 0.000 0.609 414 R N -0.213 120.318 120.500 0.052 0.000 2.152 414 R HA -0.099 3.799 4.340 -0.736 0.000 0.232 414 R C 0.653 177.001 176.300 0.079 0.000 1.117 414 R CA 0.937 57.065 56.100 0.046 0.000 0.981 414 R CB -0.665 29.642 30.300 0.012 0.000 0.870 414 R HN 0.218 nan 8.270 nan 0.000 0.451 415 N N 1.373 120.131 118.700 0.098 0.000 2.142 415 N HA -0.129 4.169 4.740 -0.736 0.000 0.186 415 N C 1.132 176.787 175.510 0.242 0.000 1.023 415 N CA 1.563 54.719 53.050 0.176 0.000 0.852 415 N CB -0.417 38.135 38.487 0.108 0.000 0.998 415 N HN 0.298 nan 8.380 nan 0.000 0.424 416 D N 1.094 121.588 120.400 0.157 0.000 2.149 416 D HA -0.133 4.065 4.640 -0.736 0.000 0.198 416 D C 1.642 178.036 176.300 0.155 0.000 0.990 416 D CA 0.891 54.992 54.000 0.168 0.000 0.839 416 D CB -0.125 40.805 40.800 0.216 0.000 0.948 416 D HN 0.483 nan 8.370 nan 0.000 0.460 417 E N 0.583 120.849 120.200 0.110 0.000 2.051 417 E HA -0.147 3.762 4.350 -0.736 0.000 0.192 417 E C 2.066 178.717 176.600 0.084 0.000 0.991 417 E CA 0.646 57.084 56.400 0.062 0.000 0.799 417 E CB 0.058 29.780 29.700 0.037 0.000 0.748 417 E HN 0.215 nan 8.360 nan 0.000 0.449 418 E N 0.217 120.478 120.200 0.103 0.000 2.077 418 E HA -0.149 3.759 4.350 -0.736 0.000 0.193 418 E C 1.883 178.493 176.600 0.017 0.000 0.989 418 E CA 0.920 57.341 56.400 0.036 0.000 0.800 418 E CB -0.169 29.531 29.700 -0.001 0.000 0.746 418 E HN 0.235 nan 8.360 nan 0.000 0.452 419 F N 0.120 120.099 119.950 0.047 0.000 2.325 419 F HA -0.112 3.972 4.527 -0.737 0.000 0.299 419 F C 2.360 178.271 175.800 0.184 0.000 1.090 419 F CA 0.722 58.778 58.000 0.092 0.000 1.392 419 F CB -0.164 38.904 39.000 0.114 0.000 1.053 419 F HN 0.043 nan 8.300 nan 0.000 0.521 420 M N 0.312 120.099 119.600 0.312 0.000 2.319 420 M HA -0.109 3.929 4.480 -0.736 0.000 0.265 420 M C 1.945 178.383 176.300 0.230 0.000 1.068 420 M CA 1.353 56.836 55.300 0.305 0.000 1.118 420 M CB -0.392 32.270 32.600 0.102 0.000 1.395 420 M HN -0.013 nan 8.290 nan 0.000 0.435 421 E N 0.242 120.499 120.200 0.097 0.000 2.160 421 E HA -0.111 3.798 4.350 -0.736 0.000 0.195 421 E C 1.831 178.420 176.600 -0.018 0.000 0.991 421 E CA 1.737 58.155 56.400 0.029 0.000 0.810 421 E CB -0.406 29.288 29.700 -0.010 0.000 0.742 421 E HN 0.549 nan 8.360 nan 0.000 0.466 422 A N -0.560 122.197 122.820 -0.105 0.000 1.972 422 A HA -0.113 3.766 4.320 -0.736 0.000 0.219 422 A C 1.961 179.372 177.584 -0.289 0.000 1.169 422 A CA 1.351 53.234 52.037 -0.256 0.000 0.635 422 A CB -0.807 17.939 19.000 -0.423 0.000 0.810 422 A HN 0.343 nan 8.150 nan 0.000 0.446 423 F N 0.636 120.574 119.950 -0.020 0.000 2.206 423 F HA -0.099 3.987 4.527 -0.736 0.000 0.298 423 F C 2.268 178.045 175.800 -0.038 0.000 1.090 423 F CA 1.156 59.141 58.000 -0.025 0.000 1.323 423 F CB -0.518 38.470 39.000 -0.020 0.000 1.028 423 F HN 0.175 nan 8.300 nan 0.000 0.492 424 N N 0.837 119.615 118.700 0.130 0.000 2.104 424 N HA -0.174 4.124 4.740 -0.736 0.000 0.190 424 N C 2.043 177.563 175.510 0.017 0.000 1.024 424 N CA 1.492 54.572 53.050 0.048 0.000 0.853 424 N CB -0.610 37.896 38.487 0.032 0.000 1.008 424 N HN 0.275 nan 8.380 nan 0.000 0.424 425 I N 1.368 121.939 120.570 0.002 0.000 2.226 425 I HA -0.256 3.472 4.170 -0.736 0.000 0.245 425 I C 2.296 178.395 176.117 -0.030 0.000 1.100 425 I CA 1.065 62.357 61.300 -0.013 0.000 1.374 425 I CB -0.221 37.758 38.000 -0.035 0.000 1.057 425 I HN 0.144 nan 8.210 nan 0.000 0.413 426 Q N 0.429 120.204 119.800 -0.042 0.000 2.124 426 Q HA -0.174 3.725 4.340 -0.736 0.000 0.202 426 Q C 2.442 178.421 176.000 -0.035 0.000 0.977 426 Q CA 1.613 57.387 55.803 -0.049 0.000 0.850 426 Q CB -0.224 28.485 28.738 -0.049 0.000 0.901 426 Q HN 0.586 nan 8.270 nan 0.000 0.429 427 A N 0.746 123.558 122.820 -0.012 0.000 1.873 427 A HA -0.098 3.781 4.320 -0.736 0.000 0.215 427 A C 2.267 179.826 177.584 -0.042 0.000 1.186 427 A CA 1.593 53.614 52.037 -0.027 0.000 0.616 427 A CB -1.146 17.841 19.000 -0.022 0.000 0.823 427 A HN 0.475 nan 8.150 nan 0.000 0.442 428 G N -0.534 108.246 108.800 -0.032 0.000 2.421 428 G HA2 -0.113 3.405 3.960 -0.736 0.000 0.216 428 G HA3 -0.113 3.405 3.960 -0.736 0.000 0.216 428 G C 1.516 176.398 174.900 -0.030 0.000 1.171 428 G CA 1.234 46.319 45.100 -0.026 0.000 0.775 428 G HN 0.307 nan 8.290 nan 0.000 0.543 429 V N 1.587 121.475 119.914 -0.044 0.000 2.332 429 V HA -0.162 3.517 4.120 -0.736 0.000 0.248 429 V C 3.330 179.359 176.094 -0.108 0.000 1.055 429 V CA 2.098 64.356 62.300 -0.069 0.000 1.038 429 V CB -0.860 30.911 31.823 -0.088 0.000 0.651 429 V HN 0.486 nan 8.190 nan 0.000 0.450 430 A N -0.336 122.418 122.820 -0.110 0.000 1.902 430 A HA -0.156 3.722 4.320 -0.736 0.000 0.217 430 A C 2.215 179.751 177.584 -0.080 0.000 1.181 430 A CA 1.789 53.753 52.037 -0.122 0.000 0.623 430 A CB -0.553 18.389 19.000 -0.096 0.000 0.818 430 A HN 0.494 nan 8.150 nan 0.000 0.443 431 L N -0.795 120.396 121.223 -0.054 0.000 2.042 431 L HA -0.240 3.658 4.340 -0.736 0.000 0.210 431 L C 2.857 179.721 176.870 -0.011 0.000 1.076 431 L CA 1.373 56.195 54.840 -0.030 0.000 0.749 431 L CB -0.427 41.614 42.059 -0.031 0.000 0.893 431 L HN 0.393 nan 8.230 nan 0.000 0.432 432 Q N -0.666 119.126 119.800 -0.013 0.000 2.245 432 Q HA -0.033 3.865 4.340 -0.736 0.000 0.201 432 Q C 1.428 177.440 176.000 0.020 0.000 0.955 432 Q CA 0.982 56.791 55.803 0.009 0.000 0.870 432 Q CB 0.052 28.798 28.738 0.014 0.000 0.945 432 Q HN 0.609 nan 8.270 nan 0.000 0.461 433 N N -0.876 117.815 118.700 -0.015 0.000 2.210 433 N HA 0.142 4.440 4.740 -0.736 0.000 0.203 433 N C 1.301 176.830 175.510 0.033 0.000 1.175 433 N CA 0.545 53.608 53.050 0.021 0.000 0.894 433 N CB 0.611 39.055 38.487 -0.071 0.000 1.041 433 N HN 0.048 nan 8.380 nan 0.000 0.506 434 A N 1.514 124.312 122.820 -0.037 0.000 1.972 434 A HA -0.162 3.716 4.320 -0.736 0.000 0.219 434 A C 2.139 179.780 177.584 0.095 0.000 1.169 434 A CA 1.247 53.279 52.037 -0.008 0.000 0.635 434 A CB -0.334 18.648 19.000 -0.029 0.000 0.810 434 A HN 0.249 nan 8.150 nan 0.000 0.446 435 Q N -1.306 118.546 119.800 0.087 0.000 2.083 435 Q HA -0.092 3.806 4.340 -0.736 0.000 0.198 435 Q C 2.076 178.142 176.000 0.111 0.000 0.969 435 Q CA 1.325 57.180 55.803 0.086 0.000 0.838 435 Q CB -0.254 28.523 28.738 0.065 0.000 0.900 435 Q HN 0.595 nan 8.270 nan 0.000 0.436 436 L N -0.365 120.947 121.223 0.148 0.000 2.056 436 L HA -0.098 3.800 4.340 -0.736 0.000 0.207 436 L C 1.765 178.730 176.870 0.158 0.000 1.078 436 L CA 1.615 56.539 54.840 0.139 0.000 0.749 436 L CB -0.405 41.742 42.059 0.146 0.000 0.901 436 L HN 0.068 nan 8.230 nan 0.000 0.433 437 F N 0.025 119.981 119.950 0.009 0.000 2.171 437 F HA -0.131 3.954 4.527 -0.736 0.000 0.300 437 F C 2.490 178.295 175.800 0.008 0.000 1.090 437 F CA 1.238 59.243 58.000 0.008 0.000 1.293 437 F CB -1.111 37.894 39.000 0.008 0.000 1.013 437 F HN 0.208 nan 8.300 nan 0.000 0.486 438 A N -0.611 122.322 122.820 0.189 0.000 1.877 438 A HA -0.174 3.704 4.320 -0.736 0.000 0.216 438 A C 2.259 179.878 177.584 0.058 0.000 1.186 438 A CA 2.246 54.346 52.037 0.104 0.000 0.620 438 A CB -1.322 17.728 19.000 0.083 0.000 0.822 438 A HN 0.335 nan 8.150 nan 0.000 0.443 439 T N -0.216 114.367 114.554 0.049 0.000 2.720 439 T HA -0.053 3.856 4.350 -0.736 0.000 0.268 439 T C 1.158 175.857 174.700 -0.002 0.000 1.037 439 T CA 1.171 63.285 62.100 0.022 0.000 1.144 439 T CB -0.503 68.378 68.868 0.021 0.000 0.864 439 T HN 0.156 nan 8.240 nan 0.000 0.444 440 V N 0.000 119.899 119.914 -0.024 0.000 2.409 440 V HA 0.000 3.678 4.120 -0.736 0.000 0.244 440 V CA 0.000 62.261 62.300 -0.065 0.000 1.235 440 V CB 0.000 31.728 31.823 -0.158 0.000 1.184 440 V HN 0.000 nan 8.190 nan 0.000 0.556