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 3o1a_1_A DATA FIRST_RESID 2 DATA SEQUENCE ALPLPHQRLR LDPVPEFEEL QKAGPLHEYD TEPGMDGRKQ WLVTGHDEVR DATA SEQUENCE AILADHERFS SMRPVDDEAD RALLPGILQA YDPPDHTRLR RTVAPAYSAR DATA SEQUENCE RMERLRPRIE EIVEECLDDF ESVGAPVDFV RHAAWPIPAY IACEFLGVPR DATA SEQUENCE DDQAELSRMI RESRESRLPR QRTLSGLGIV NYTKRLTSGK RRDPGDGMIG DATA SEQUENCE VIVREHGAEI SDEELAGLAE GNLIMAAEQM AAQLAVAVLL LVTHPDQMAL DATA SEQUENCE LREKPELIDS ATEEVLRHAS IVEAPAPRVA LADVRMAGRD IHAGDVLTCS DATA SEQUENCE MLATNRAPGD RFDITREKAT HMAFGHGIHH CIGAPLARLQ LRVALPAVVG DATA SEQUENCE RFPSLRLAVP EEDLRFKPGR PAPFAVEELP LEW 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.603 177.584 0.031 0.000 1.274 2 A CA 0.000 52.048 52.037 0.019 0.000 0.836 2 A CB 0.000 19.006 19.000 0.011 0.000 0.831 3 L N 1.949 123.195 121.223 0.039 0.000 2.706 3 L HA 0.032 4.283 4.340 -0.148 0.000 0.282 3 L C -1.760 175.160 176.870 0.083 0.000 1.219 3 L CA -0.522 54.354 54.840 0.060 0.000 0.935 3 L CB 0.348 42.441 42.059 0.058 0.000 1.204 3 L HN 0.373 nan 8.230 nan 0.000 0.491 4 P HA -0.032 nan 4.420 nan 0.000 0.268 4 P C 0.925 178.248 177.300 0.038 0.000 1.208 4 P CA -0.162 63.050 63.100 0.187 0.000 0.777 4 P CB 0.633 32.479 31.700 0.244 0.000 0.875 5 L N 3.300 124.506 121.223 -0.029 0.000 2.127 5 L HA -0.123 4.128 4.340 -0.148 0.000 0.211 5 L C -0.566 175.733 176.870 -0.951 0.000 1.089 5 L CA 1.783 56.391 54.840 -0.387 0.000 0.757 5 L CB -1.436 40.355 42.059 -0.446 0.000 0.899 5 L HN 0.511 nan 8.230 nan 0.000 0.434 6 P HA -0.099 nan 4.420 nan 0.000 0.245 6 P C 0.433 177.162 177.300 -0.951 0.000 1.212 6 P CA 1.244 63.526 63.100 -1.363 0.000 0.774 6 P CB 0.057 31.262 31.700 -0.826 0.000 0.999 7 H N -1.519 117.339 119.070 -0.352 0.000 2.923 7 H HA 0.289 4.757 4.556 -0.146 0.000 0.268 7 H C 0.442 175.680 175.328 -0.149 0.000 1.148 7 H CA -0.214 55.721 56.048 -0.188 0.000 1.146 7 H CB 0.615 30.328 29.762 -0.081 0.000 1.607 7 H HN 0.299 nan 8.280 nan 0.000 0.566 8 Q N 1.395 121.116 119.800 -0.131 0.000 2.259 8 Q HA 0.446 4.698 4.340 -0.148 0.000 0.249 8 Q C 0.013 175.954 176.000 -0.097 0.000 0.914 8 Q CA -0.106 55.653 55.803 -0.073 0.000 0.904 8 Q CB 1.738 30.431 28.738 -0.075 0.000 1.213 8 Q HN 0.148 nan 8.270 nan 0.000 0.428 9 R N 1.838 122.304 120.500 -0.056 0.000 2.725 9 R HA 0.418 4.670 4.340 -0.148 0.000 0.277 9 R C -1.401 174.864 176.300 -0.058 0.000 0.987 9 R CA -1.133 54.902 56.100 -0.108 0.000 0.901 9 R CB 1.265 31.434 30.300 -0.219 0.000 1.207 9 R HN 0.358 nan 8.270 nan 0.000 0.463 10 L N 3.427 124.606 121.223 -0.073 0.000 2.288 10 L HA 0.314 4.565 4.340 -0.148 0.000 0.283 10 L C 1.119 177.931 176.870 -0.097 0.000 1.072 10 L CA 0.644 55.458 54.840 -0.043 0.000 0.862 10 L CB 0.078 42.124 42.059 -0.021 0.000 1.245 10 L HN 0.763 nan 8.230 nan 0.000 0.432 11 R N 1.863 122.288 120.500 -0.125 0.000 4.025 11 R HA -0.298 3.953 4.340 -0.148 0.000 0.279 11 R C 0.623 176.565 176.300 -0.598 0.000 0.251 11 R CA 2.225 58.108 56.100 -0.362 0.000 0.968 11 R CB -1.337 28.897 30.300 -0.111 0.000 0.994 11 R HN 0.490 nan 8.270 nan 0.000 0.562 12 L N 0.767 121.752 121.223 -0.397 0.000 2.513 12 L HA 0.275 4.526 4.340 -0.148 0.000 0.222 12 L C 0.092 176.733 176.870 -0.381 0.000 1.096 12 L CA -0.218 54.397 54.840 -0.375 0.000 0.857 12 L CB 0.122 42.077 42.059 -0.174 0.000 1.026 12 L HN 0.309 nan 8.230 nan 0.000 0.469 13 D N 0.605 120.856 120.400 -0.249 0.000 2.253 13 D HA 0.287 4.839 4.640 -0.148 0.000 0.249 13 D C -2.265 173.930 176.300 -0.175 0.000 1.049 13 D CA -1.595 52.286 54.000 -0.199 0.000 0.929 13 D CB 0.910 41.654 40.800 -0.093 0.000 1.176 13 D HN -0.184 nan 8.370 nan 0.000 0.437 14 P HA -0.008 nan 4.420 nan 0.000 0.271 14 P C -0.269 177.026 177.300 -0.009 0.000 1.233 14 P CA -0.440 62.637 63.100 -0.039 0.000 0.789 14 P CB 0.490 32.220 31.700 0.050 0.000 0.951 15 V N -0.929 119.006 119.914 0.034 0.000 2.686 15 V HA 0.285 4.316 4.120 -0.148 0.000 0.295 15 V C -1.817 174.299 176.094 0.038 0.000 1.057 15 V CA -1.832 60.482 62.300 0.024 0.000 1.012 15 V CB 0.511 32.342 31.823 0.012 0.000 1.006 15 V HN 0.385 nan 8.190 nan 0.000 0.477 16 P HA -0.153 nan 4.420 nan 0.000 0.217 16 P C 1.243 178.538 177.300 -0.009 0.000 1.151 16 P CA 1.742 64.838 63.100 -0.007 0.000 0.849 16 P CB 0.217 31.913 31.700 -0.007 0.000 0.787 17 E N -1.957 118.249 120.200 0.010 0.000 2.152 17 E HA -0.135 4.126 4.350 -0.148 0.000 0.192 17 E C 1.693 178.300 176.600 0.013 0.000 0.983 17 E CA 0.740 57.141 56.400 0.002 0.000 0.818 17 E CB -0.965 28.739 29.700 0.006 0.000 0.758 17 E HN 0.231 nan 8.360 nan 0.000 0.467 18 F N 1.975 121.839 119.950 -0.143 0.000 2.163 18 F HA -0.022 4.417 4.527 -0.147 0.000 0.297 18 F C 1.642 177.343 175.800 -0.164 0.000 1.094 18 F CA 1.202 59.089 58.000 -0.190 0.000 1.290 18 F CB -0.000 38.889 39.000 -0.184 0.000 1.017 18 F HN -0.065 nan 8.300 nan 0.000 0.483 19 E N -0.360 119.697 120.200 -0.239 0.000 2.204 19 E HA -0.232 4.029 4.350 -0.148 0.000 0.194 19 E C 1.832 178.298 176.600 -0.223 0.000 0.989 19 E CA 1.209 57.434 56.400 -0.291 0.000 0.824 19 E CB -0.204 29.402 29.700 -0.156 0.000 0.756 19 E HN 0.451 nan 8.360 nan 0.000 0.477 20 E N 0.925 121.031 120.200 -0.156 0.000 2.112 20 E HA -0.119 4.142 4.350 -0.148 0.000 0.190 20 E C 1.896 178.412 176.600 -0.140 0.000 0.979 20 E CA 0.229 56.560 56.400 -0.115 0.000 0.814 20 E CB 0.005 29.663 29.700 -0.071 0.000 0.762 20 E HN 0.102 nan 8.360 nan 0.000 0.460 21 L N 0.903 122.005 121.223 -0.202 0.000 2.046 21 L HA -0.178 4.073 4.340 -0.148 0.000 0.208 21 L C 1.940 178.626 176.870 -0.306 0.000 1.077 21 L CA 1.810 56.482 54.840 -0.280 0.000 0.747 21 L CB -0.442 41.394 42.059 -0.371 0.000 0.896 21 L HN 0.160 nan 8.230 nan 0.000 0.432 22 Q N -0.497 119.082 119.800 -0.369 0.000 2.181 22 Q HA -0.251 4.000 4.340 -0.148 0.000 0.205 22 Q C 2.095 178.046 176.000 -0.081 0.000 0.980 22 Q CA 1.837 57.492 55.803 -0.248 0.000 0.862 22 Q CB -0.159 28.345 28.738 -0.391 0.000 0.905 22 Q HN 0.565 nan 8.270 nan 0.000 0.429 23 K N 0.015 120.359 120.400 -0.092 0.000 2.217 23 K HA -0.030 4.201 4.320 -0.148 0.000 0.202 23 K C 1.961 178.560 176.600 -0.002 0.000 1.051 23 K CA 0.862 57.120 56.287 -0.048 0.000 0.952 23 K CB -0.004 32.462 32.500 -0.057 0.000 0.736 23 K HN 0.112 nan 8.250 nan 0.000 0.453 24 A N 1.354 124.196 122.820 0.036 0.000 2.067 24 A HA 0.099 4.331 4.320 -0.148 0.000 0.219 24 A C 0.986 178.623 177.584 0.089 0.000 1.158 24 A CA 1.374 53.456 52.037 0.075 0.000 0.661 24 A CB -0.066 18.998 19.000 0.106 0.000 0.801 24 A HN 0.408 nan 8.150 nan 0.000 0.452 25 G N -2.785 106.082 108.800 0.111 0.000 2.324 25 G HA2 0.348 4.219 3.960 -0.148 0.000 0.293 25 G HA3 0.348 4.219 3.960 -0.148 0.000 0.293 25 G C -2.834 172.019 174.900 -0.078 0.000 1.297 25 G CA 0.093 45.186 45.100 -0.011 0.000 0.853 25 G HN -0.131 nan 8.290 nan 0.000 0.535 26 P HA 0.296 nan 4.420 nan 0.000 0.239 26 P C 0.446 177.585 177.300 -0.268 0.000 1.188 26 P CA 0.373 63.383 63.100 -0.149 0.000 0.794 26 P CB 0.835 32.465 31.700 -0.115 0.000 0.937 27 L N -0.095 120.829 121.223 -0.500 0.000 2.401 27 L HA 0.482 4.734 4.340 -0.148 0.000 0.266 27 L C -0.468 176.076 176.870 -0.544 0.000 0.991 27 L CA -0.747 53.873 54.840 -0.366 0.000 0.818 27 L CB 2.182 44.116 42.059 -0.208 0.000 1.321 27 L HN 0.004 nan 8.230 nan 0.000 0.413 28 H N 1.554 120.824 119.070 0.334 0.000 2.894 28 H HA 0.225 4.693 4.556 -0.148 0.000 0.367 28 H C -1.164 174.325 175.328 0.268 0.000 1.144 28 H CA -0.803 55.415 56.048 0.282 0.000 1.180 28 H CB 2.038 31.900 29.762 0.167 0.000 1.758 28 H HN 0.526 nan 8.280 nan 0.000 0.541 29 E N 2.226 122.531 120.200 0.174 0.000 1.791 29 E HA 0.086 4.347 4.350 -0.148 0.000 0.263 29 E C -1.038 175.616 176.600 0.090 0.000 1.213 29 E CA 0.145 56.471 56.400 -0.123 0.000 0.991 29 E CB 0.106 29.695 29.700 -0.185 0.000 1.068 29 E HN 0.320 nan 8.360 nan 0.000 0.417 30 Y N 1.812 122.092 120.300 -0.034 0.000 2.354 30 Y HA 0.129 4.590 4.550 -0.149 0.000 0.330 30 Y C -0.780 175.108 175.900 -0.019 0.000 1.011 30 Y CA -1.193 56.905 58.100 -0.004 0.000 1.099 30 Y CB 1.229 39.720 38.460 0.051 0.000 1.179 30 Y HN 0.205 nan 8.280 nan 0.000 0.442 31 D N 4.218 124.287 120.400 -0.552 0.000 2.359 31 D HA 0.113 4.664 4.640 -0.148 0.000 0.250 31 D C 0.481 176.506 176.300 -0.459 0.000 1.264 31 D CA 0.487 54.242 54.000 -0.408 0.000 0.911 31 D CB 1.631 42.227 40.800 -0.340 0.000 1.056 31 D HN 0.736 nan 8.370 nan 0.000 0.499 32 T N 1.390 115.858 114.554 -0.143 0.000 3.021 32 T HA 0.008 4.269 4.350 -0.148 0.000 0.245 32 T C 0.835 175.542 174.700 0.012 0.000 1.028 32 T CA 0.081 62.183 62.100 0.003 0.000 1.139 32 T CB 0.596 69.546 68.868 0.137 0.000 0.884 32 T HN 0.243 nan 8.240 nan 0.000 0.457 33 E N 2.353 122.556 120.200 0.004 0.000 2.313 33 E HA 0.307 4.569 4.350 -0.148 0.000 0.272 33 E C -2.191 174.393 176.600 -0.026 0.000 1.038 33 E CA -1.770 54.633 56.400 0.006 0.000 0.863 33 E CB 0.871 30.583 29.700 0.020 0.000 1.060 33 E HN 0.255 nan 8.360 nan 0.000 0.402 34 P HA 0.407 nan 4.420 nan 0.000 0.280 34 P C 0.358 177.645 177.300 -0.022 0.000 1.272 34 P CA -0.109 62.974 63.100 -0.029 0.000 0.819 34 P CB 1.103 32.790 31.700 -0.022 0.000 1.122 35 G N -0.272 108.513 108.800 -0.025 0.000 2.503 35 G HA2 -0.087 3.785 3.960 -0.148 0.000 0.235 35 G HA3 -0.087 3.785 3.960 -0.148 0.000 0.235 35 G C 0.078 174.963 174.900 -0.024 0.000 1.179 35 G CA 0.075 45.163 45.100 -0.020 0.000 0.944 35 G HN 0.722 nan 8.290 nan 0.000 0.580 36 M N -1.454 118.136 119.600 -0.017 0.000 7.319 36 M HA -0.223 4.169 4.480 -0.148 0.000 0.104 36 M C 0.511 176.798 176.300 -0.021 0.000 0.480 36 M CA 2.218 57.507 55.300 -0.018 0.000 1.311 36 M CB -1.880 30.704 32.600 -0.026 0.000 0.421 36 M HN 1.191 nan 8.290 nan 0.000 0.175 37 D N 1.172 121.556 120.400 -0.026 0.000 2.690 37 D HA 0.443 4.994 4.640 -0.148 0.000 0.236 37 D C 1.519 177.806 176.300 -0.021 0.000 1.218 37 D CA 0.865 54.846 54.000 -0.033 0.000 0.829 37 D CB -0.490 40.283 40.800 -0.045 0.000 1.009 37 D HN 0.675 nan 8.370 nan 0.000 0.482 38 G N 0.303 109.096 108.800 -0.011 0.000 2.475 38 G HA2 -0.214 3.658 3.960 -0.148 0.000 0.220 38 G HA3 -0.214 3.658 3.960 -0.148 0.000 0.220 38 G C 0.747 175.651 174.900 0.006 0.000 1.125 38 G CA 0.324 45.423 45.100 -0.003 0.000 0.755 38 G HN 0.288 nan 8.290 nan 0.000 0.565 39 R N -0.175 120.330 120.500 0.007 0.000 2.589 39 R HA 0.489 4.741 4.340 -0.148 0.000 0.293 39 R C -0.780 175.521 176.300 0.002 0.000 0.963 39 R CA -0.965 55.150 56.100 0.026 0.000 0.905 39 R CB 1.629 31.955 30.300 0.042 0.000 1.144 39 R HN -0.040 nan 8.270 nan 0.000 0.459 40 K N 2.680 123.088 120.400 0.014 0.000 2.326 40 K HA -0.018 4.213 4.320 -0.148 0.000 0.275 40 K C -0.209 176.315 176.600 -0.127 0.000 1.018 40 K CA -0.139 56.099 56.287 -0.082 0.000 0.962 40 K CB 0.757 33.220 32.500 -0.062 0.000 0.953 40 K HN 0.457 nan 8.250 nan 0.000 0.475 41 Q N 3.581 123.223 119.800 -0.263 0.000 2.241 41 Q HA 0.253 4.504 4.340 -0.148 0.000 0.254 41 Q C -1.223 174.557 176.000 -0.368 0.000 0.917 41 Q CA -0.224 55.462 55.803 -0.195 0.000 0.919 41 Q CB 0.807 29.449 28.738 -0.160 0.000 1.237 41 Q HN 0.565 nan 8.270 nan 0.000 0.434 42 W N 2.627 123.974 121.300 0.079 0.000 2.781 42 W HA 0.466 5.037 4.660 -0.148 0.000 0.333 42 W C -1.126 175.462 176.519 0.114 0.000 1.047 42 W CA -0.840 56.559 57.345 0.089 0.000 1.236 42 W CB 1.830 31.322 29.460 0.054 0.000 1.394 42 W HN 0.579 nan 8.180 nan 0.000 0.466 43 L N 4.518 125.999 121.223 0.430 0.000 2.282 43 L HA 0.735 4.986 4.340 -0.148 0.000 0.288 43 L C -0.837 176.226 176.870 0.321 0.000 1.033 43 L CA -0.640 54.413 54.840 0.354 0.000 0.807 43 L CB 1.166 43.456 42.059 0.384 0.000 1.209 43 L HN 0.208 nan 8.230 nan 0.000 0.423 44 V N 4.406 124.442 119.914 0.203 0.000 2.384 44 V HA 0.459 4.490 4.120 -0.148 0.000 0.287 44 V C 0.705 176.867 176.094 0.113 0.000 1.020 44 V CA 0.272 62.634 62.300 0.102 0.000 0.850 44 V CB 1.027 32.852 31.823 0.004 0.000 0.987 44 V HN 0.959 nan 8.190 nan 0.000 0.436 45 T N 0.337 114.951 114.554 0.099 0.000 2.980 45 T HA 0.220 4.482 4.350 -0.148 0.000 0.252 45 T C 1.031 175.743 174.700 0.019 0.000 0.962 45 T CA 0.537 62.685 62.100 0.079 0.000 0.932 45 T CB 0.238 69.172 68.868 0.111 0.000 1.188 45 T HN 0.802 nan 8.240 nan 0.000 0.500 46 G N 1.225 110.023 108.800 -0.004 0.000 2.365 46 G HA2 0.308 4.180 3.960 -0.148 0.000 0.249 46 G HA3 0.308 4.180 3.960 -0.148 0.000 0.249 46 G C 0.466 175.362 174.900 -0.006 0.000 1.288 46 G CA 0.136 45.228 45.100 -0.013 0.000 0.887 46 G HN 0.556 nan 8.290 nan 0.000 0.524 47 H N 1.817 120.848 119.070 -0.064 0.000 2.289 47 H HA -0.158 4.309 4.556 -0.148 0.000 0.296 47 H C 1.731 177.005 175.328 -0.090 0.000 1.091 47 H CA 2.404 58.410 56.048 -0.070 0.000 1.274 47 H CB 0.240 29.964 29.762 -0.063 0.000 1.364 47 H HN 0.468 nan 8.280 nan 0.000 0.490 48 D N -0.171 120.105 120.400 -0.206 0.000 2.178 48 D HA -0.099 4.453 4.640 -0.148 0.000 0.201 48 D C 2.084 178.248 176.300 -0.226 0.000 0.980 48 D CA 1.239 55.086 54.000 -0.255 0.000 0.842 48 D CB -0.161 40.592 40.800 -0.078 0.000 0.948 48 D HN 0.545 nan 8.370 nan 0.000 0.472 49 E N -0.088 120.009 120.200 -0.172 0.000 2.107 49 E HA -0.066 4.195 4.350 -0.148 0.000 0.191 49 E C 2.280 178.763 176.600 -0.195 0.000 0.982 49 E CA 0.204 56.501 56.400 -0.171 0.000 0.809 49 E CB -0.126 29.485 29.700 -0.148 0.000 0.756 49 E HN 0.063 nan 8.360 nan 0.000 0.459 50 V N 0.989 120.792 119.914 -0.186 0.000 2.307 50 V HA -0.236 3.795 4.120 -0.148 0.000 0.245 50 V C 2.244 178.220 176.094 -0.197 0.000 1.045 50 V CA 1.618 63.818 62.300 -0.166 0.000 1.024 50 V CB -0.393 31.361 31.823 -0.115 0.000 0.651 50 V HN 0.213 nan 8.190 nan 0.000 0.449 51 R N 0.179 120.489 120.500 -0.316 0.000 2.103 51 R HA -0.200 4.052 4.340 -0.148 0.000 0.242 51 R C 2.341 178.548 176.300 -0.156 0.000 1.142 51 R CA 1.738 57.612 56.100 -0.376 0.000 0.960 51 R CB -0.840 29.123 30.300 -0.561 0.000 0.858 51 R HN 0.561 nan 8.270 nan 0.000 0.439 52 A N 0.704 123.427 122.820 -0.161 0.000 1.929 52 A HA -0.079 4.152 4.320 -0.148 0.000 0.216 52 A C 2.225 179.739 177.584 -0.116 0.000 1.176 52 A CA 0.902 52.876 52.037 -0.105 0.000 0.628 52 A CB -0.299 18.629 19.000 -0.120 0.000 0.816 52 A HN 0.163 nan 8.150 nan 0.000 0.444 53 I N -0.216 120.216 120.570 -0.230 0.000 2.202 53 I HA -0.226 3.855 4.170 -0.148 0.000 0.242 53 I C 2.269 178.309 176.117 -0.129 0.000 1.091 53 I CA 1.072 62.127 61.300 -0.408 0.000 1.368 53 I CB -0.233 37.425 38.000 -0.570 0.000 1.058 53 I HN 0.268 nan 8.210 nan 0.000 0.410 54 L N 0.250 121.466 121.223 -0.012 0.000 2.131 54 L HA -0.163 4.088 4.340 -0.148 0.000 0.210 54 L C 2.671 179.661 176.870 0.200 0.000 1.092 54 L CA 1.136 56.053 54.840 0.128 0.000 0.759 54 L CB -0.751 41.416 42.059 0.180 0.000 0.903 54 L HN 0.240 nan 8.230 nan 0.000 0.435 55 A N -1.106 121.830 122.820 0.194 0.000 2.016 55 A HA -0.152 4.079 4.320 -0.148 0.000 0.217 55 A C 1.221 178.852 177.584 0.078 0.000 1.162 55 A CA 0.916 53.052 52.037 0.164 0.000 0.662 55 A CB -0.248 18.852 19.000 0.167 0.000 0.812 55 A HN 0.268 nan 8.150 nan 0.000 0.450 56 D N -0.415 120.030 120.400 0.074 0.000 2.767 56 D HA 0.210 4.761 4.640 -0.148 0.000 0.241 56 D C 1.018 177.391 176.300 0.121 0.000 1.187 56 D CA -0.324 53.699 54.000 0.039 0.000 0.999 56 D CB -0.386 40.535 40.800 0.202 0.000 1.042 56 D HN 0.667 nan 8.370 nan 0.000 0.510 57 H N -0.171 119.002 119.070 0.172 0.000 2.387 57 H HA -0.011 4.457 4.556 -0.148 0.000 0.299 57 H C 1.406 176.805 175.328 0.117 0.000 1.090 57 H CA 1.158 57.303 56.048 0.162 0.000 1.332 57 H CB -0.119 29.713 29.762 0.116 0.000 1.386 57 H HN 0.282 nan 8.280 nan 0.000 0.516 58 E N 0.662 120.796 120.200 -0.111 0.000 2.160 58 E HA -0.131 4.130 4.350 -0.148 0.000 0.195 58 E C 1.792 178.356 176.600 -0.060 0.000 0.991 58 E CA 1.085 57.473 56.400 -0.021 0.000 0.810 58 E CB -0.009 29.633 29.700 -0.095 0.000 0.742 58 E HN 0.569 nan 8.360 nan 0.000 0.466 59 R N -0.747 119.675 120.500 -0.130 0.000 2.365 59 R HA 0.162 4.413 4.340 -0.148 0.000 0.223 59 R C -0.392 175.495 176.300 -0.688 0.000 0.899 59 R CA -0.058 55.813 56.100 -0.381 0.000 1.059 59 R CB 0.650 30.667 30.300 -0.473 0.000 1.086 59 R HN -0.021 nan 8.270 nan 0.000 0.522 60 F N 0.350 120.315 119.950 0.025 0.000 2.610 60 F HA 0.260 4.698 4.527 -0.148 0.000 0.355 60 F C 0.168 176.013 175.800 0.075 0.000 1.140 60 F CA -0.864 57.162 58.000 0.044 0.000 1.037 60 F CB 1.665 40.684 39.000 0.032 0.000 1.287 60 F HN -0.222 nan 8.300 nan 0.000 0.457 61 S N 1.082 116.890 115.700 0.180 0.000 2.617 61 S HA 0.342 4.724 4.470 -0.148 0.000 0.269 61 S C 0.953 175.619 174.600 0.110 0.000 1.292 61 S CA -0.349 57.934 58.200 0.138 0.000 1.010 61 S CB 1.335 64.586 63.200 0.085 0.000 0.944 61 S HN 0.531 nan 8.310 nan 0.000 0.536 62 S N 2.420 118.157 115.700 0.061 0.000 2.517 62 S HA 0.246 4.627 4.470 -0.148 0.000 0.214 62 S C 0.640 175.226 174.600 -0.024 0.000 0.991 62 S CA -0.086 58.091 58.200 -0.037 0.000 0.906 62 S CB -0.215 62.841 63.200 -0.239 0.000 0.789 62 S HN 0.700 nan 8.310 nan 0.000 0.513 63 M N 1.865 121.469 119.600 0.007 0.000 2.252 63 M HA 0.135 4.526 4.480 -0.148 0.000 0.333 63 M C 0.403 176.704 176.300 0.002 0.000 1.111 63 M CA 0.065 55.361 55.300 -0.007 0.000 1.140 63 M CB 0.214 32.813 32.600 -0.001 0.000 1.538 63 M HN -0.058 nan 8.290 nan 0.000 0.448 64 R N 4.102 124.596 120.500 -0.009 0.000 2.442 64 R HA 0.186 4.438 4.340 -0.148 0.000 0.291 64 R C -2.181 174.125 176.300 0.010 0.000 1.069 64 R CA -0.982 55.119 56.100 0.001 0.000 1.022 64 R CB 0.266 30.562 30.300 -0.008 0.000 0.976 64 R HN 0.266 nan 8.270 nan 0.000 0.443 65 P HA -0.008 nan 4.420 nan 0.000 0.263 65 P C -1.067 176.242 177.300 0.015 0.000 1.247 65 P CA 0.143 63.258 63.100 0.025 0.000 0.876 65 P CB 0.713 32.435 31.700 0.036 0.000 0.928 66 V N 2.049 121.970 119.914 0.011 0.000 2.735 66 V HA 0.351 4.382 4.120 -0.148 0.000 0.310 66 V C 1.529 177.626 176.094 0.006 0.000 1.061 66 V CA 0.580 62.883 62.300 0.006 0.000 0.913 66 V CB 1.583 33.406 31.823 0.000 0.000 1.005 66 V HN 0.536 nan 8.190 nan 0.000 0.428 67 D N 3.051 123.453 120.400 0.004 0.000 2.133 67 D HA -0.038 4.513 4.640 -0.148 0.000 0.192 67 D C 0.575 176.877 176.300 0.004 0.000 1.001 67 D CA 2.266 56.268 54.000 0.004 0.000 0.844 67 D CB -0.420 40.382 40.800 0.002 0.000 0.944 67 D HN 1.249 nan 8.370 nan 0.000 0.447 68 D N -2.054 118.348 120.400 0.002 0.000 2.879 68 D HA 0.611 5.162 4.640 -0.148 0.000 0.236 68 D C -0.106 176.195 176.300 0.001 0.000 1.171 68 D CA 0.300 54.302 54.000 0.002 0.000 0.868 68 D CB 0.770 41.571 40.800 0.001 0.000 1.598 68 D HN 0.815 nan 8.370 nan 0.000 0.497 69 E N -0.911 119.290 120.200 0.002 0.000 2.404 69 E HA 0.660 4.921 4.350 -0.148 0.000 0.261 69 E C 1.327 177.927 176.600 -0.000 0.000 1.074 69 E CA 0.477 56.878 56.400 0.000 0.000 0.917 69 E CB 0.648 30.350 29.700 0.003 0.000 0.965 69 E HN 2.403 nan 8.360 nan 0.000 0.433 70 A N -0.337 122.481 122.820 -0.003 0.000 3.172 70 A HA -0.073 4.158 4.320 -0.148 0.000 0.263 70 A C 1.054 178.636 177.584 -0.003 0.000 1.215 70 A CA 2.526 54.562 52.037 -0.002 0.000 1.065 70 A CB -2.274 16.727 19.000 0.001 0.000 1.148 70 A HN 1.973 nan 8.150 nan 0.000 0.904 71 D N -1.387 119.010 120.400 -0.004 0.000 2.623 71 D HA 0.635 5.187 4.640 -0.148 0.000 0.252 71 D C 0.184 176.480 176.300 -0.007 0.000 1.294 71 D CA 1.515 55.512 54.000 -0.004 0.000 0.824 71 D CB -0.105 40.694 40.800 -0.002 0.000 1.070 71 D HN 1.754 nan 8.370 nan 0.000 0.487 72 R N -0.166 120.327 120.500 -0.011 0.000 2.740 72 R HA 0.932 5.183 4.340 -0.148 0.000 0.282 72 R C 0.184 176.471 176.300 -0.022 0.000 0.969 72 R CA -0.151 55.939 56.100 -0.017 0.000 0.918 72 R CB 0.704 30.991 30.300 -0.022 0.000 1.175 72 R HN 1.043 nan 8.270 nan 0.000 0.464 73 A N 1.723 124.530 122.820 -0.023 0.000 2.522 73 A HA 0.388 4.619 4.320 -0.148 0.000 0.256 73 A C 1.214 178.770 177.584 -0.047 0.000 1.086 73 A CA -0.300 51.722 52.037 -0.025 0.000 0.763 73 A CB -0.128 18.862 19.000 -0.017 0.000 1.024 73 A HN 0.864 nan 8.150 nan 0.000 0.502 74 L N 2.364 123.558 121.223 -0.048 0.000 2.156 74 L HA -0.007 4.244 4.340 -0.148 0.000 0.208 74 L C 0.441 177.233 176.870 -0.130 0.000 1.095 74 L CA 0.363 55.151 54.840 -0.086 0.000 0.770 74 L CB -0.451 41.578 42.059 -0.050 0.000 0.914 74 L HN 0.805 nan 8.230 nan 0.000 0.439 75 L N 0.068 121.254 121.223 -0.062 0.000 3.664 75 L HA -0.129 4.122 4.340 -0.148 0.000 0.560 75 L C -2.077 174.801 176.870 0.014 0.000 1.285 75 L CA -0.829 53.992 54.840 -0.033 0.000 0.864 75 L CB -1.624 40.403 42.059 -0.053 0.000 1.512 75 L HN 0.167 nan 8.230 nan 0.000 0.853 76 P HA 0.096 nan 4.420 nan 0.000 0.265 76 P C 1.205 178.641 177.300 0.226 0.000 1.193 76 P CA 1.427 64.639 63.100 0.186 0.000 0.765 76 P CB 1.182 32.957 31.700 0.126 0.000 0.823 77 G N 2.680 111.679 108.800 0.331 0.000 2.205 77 G HA2 -0.261 3.610 3.960 -0.148 0.000 0.261 77 G HA3 -0.261 3.610 3.960 -0.148 0.000 0.261 77 G C 0.165 175.217 174.900 0.254 0.000 0.980 77 G CA -0.125 45.105 45.100 0.217 0.000 0.632 77 G HN 0.535 nan 8.290 nan 0.000 0.533 78 I N 1.952 122.734 120.570 0.354 0.000 2.269 78 I HA 0.269 4.350 4.170 -0.148 0.000 0.293 78 I C 1.917 178.282 176.117 0.413 0.000 1.106 78 I CA -0.592 60.877 61.300 0.281 0.000 1.248 78 I CB 0.771 38.873 38.000 0.169 0.000 1.444 78 I HN 0.063 nan 8.210 nan 0.000 0.497 79 L N 5.443 126.862 121.223 0.326 0.000 2.079 79 L HA -0.218 4.033 4.340 -0.148 0.000 0.210 79 L C 2.571 179.737 176.870 0.493 0.000 1.081 79 L CA 1.339 56.414 54.840 0.391 0.000 0.752 79 L CB -0.248 41.971 42.059 0.267 0.000 0.896 79 L HN 0.749 nan 8.230 nan 0.000 0.433 80 Q N -0.582 119.400 119.800 0.304 0.000 2.444 80 Q HA -0.009 4.242 4.340 -0.148 0.000 0.206 80 Q C 1.358 177.353 176.000 -0.008 0.000 0.948 80 Q CA 1.021 56.886 55.803 0.103 0.000 0.946 80 Q CB 0.221 28.973 28.738 0.024 0.000 1.027 80 Q HN 0.415 nan 8.270 nan 0.000 0.513 81 A N -0.370 122.526 122.820 0.127 0.000 2.343 81 A HA 0.292 4.524 4.320 -0.148 0.000 0.223 81 A C -0.189 177.383 177.584 -0.021 0.000 1.214 81 A CA -0.370 51.668 52.037 0.002 0.000 0.900 81 A CB 0.142 19.108 19.000 -0.056 0.000 0.942 81 A HN 0.241 nan 8.150 nan 0.000 0.507 82 Y N 0.361 120.730 120.300 0.115 0.000 2.392 82 Y HA 0.504 4.965 4.550 -0.149 0.000 0.323 82 Y C 0.097 176.073 175.900 0.126 0.000 1.291 82 Y CA -0.702 57.478 58.100 0.133 0.000 1.345 82 Y CB 0.793 39.372 38.460 0.197 0.000 1.320 82 Y HN 0.119 nan 8.280 nan 0.000 0.518 83 D N 0.555 121.129 120.400 0.290 0.000 2.423 83 D HA 0.365 4.917 4.640 -0.148 0.000 0.235 83 D C -2.711 173.709 176.300 0.201 0.000 1.011 83 D CA -1.815 52.304 54.000 0.199 0.000 0.963 83 D CB 1.747 42.636 40.800 0.148 0.000 1.349 83 D HN 0.116 nan 8.370 nan 0.000 0.508 84 P HA 0.132 nan 4.420 nan 0.000 0.269 84 P C -1.675 175.686 177.300 0.101 0.000 1.215 84 P CA -0.711 62.450 63.100 0.101 0.000 0.780 84 P CB 0.280 32.007 31.700 0.046 0.000 0.898 85 P HA -0.034 nan 4.420 nan 0.000 0.235 85 P C 0.544 177.863 177.300 0.033 0.000 1.177 85 P CA 0.824 63.950 63.100 0.044 0.000 0.785 85 P CB 0.217 31.934 31.700 0.029 0.000 0.885 86 D N -0.090 120.361 120.400 0.084 0.000 2.133 86 D HA -0.245 4.306 4.640 -0.148 0.000 0.192 86 D C 1.872 178.132 176.300 -0.067 0.000 1.001 86 D CA 1.281 55.319 54.000 0.064 0.000 0.844 86 D CB -0.675 40.297 40.800 0.288 0.000 0.944 86 D HN 0.418 nan 8.370 nan 0.000 0.447 87 H N 0.933 119.960 119.070 -0.072 0.000 2.363 87 H HA -0.070 4.397 4.556 -0.148 0.000 0.301 87 H C 1.685 176.908 175.328 -0.176 0.000 1.074 87 H CA 1.780 57.739 56.048 -0.147 0.000 1.354 87 H CB 0.237 29.968 29.762 -0.053 0.000 1.397 87 H HN 0.014 nan 8.280 nan 0.000 0.516 88 T N 1.705 116.149 114.554 -0.183 0.000 2.665 88 T HA -0.183 4.079 4.350 -0.148 0.000 0.268 88 T C 2.173 176.729 174.700 -0.241 0.000 1.035 88 T CA 1.315 63.280 62.100 -0.225 0.000 1.151 88 T CB -0.186 68.620 68.868 -0.104 0.000 0.862 88 T HN 0.276 nan 8.240 nan 0.000 0.438 89 R N 0.619 121.008 120.500 -0.185 0.000 2.082 89 R HA -0.051 4.200 4.340 -0.148 0.000 0.234 89 R C 2.396 178.550 176.300 -0.243 0.000 1.136 89 R CA 1.371 57.364 56.100 -0.178 0.000 0.935 89 R CB -0.870 29.358 30.300 -0.121 0.000 0.842 89 R HN 0.330 nan 8.270 nan 0.000 0.430 90 L N 1.260 122.303 121.223 -0.300 0.000 2.156 90 L HA -0.068 4.183 4.340 -0.148 0.000 0.208 90 L C 2.580 179.265 176.870 -0.307 0.000 1.095 90 L CA 1.650 56.300 54.840 -0.317 0.000 0.770 90 L CB -0.699 41.095 42.059 -0.442 0.000 0.914 90 L HN 0.099 nan 8.230 nan 0.000 0.439 91 R N -0.103 120.146 120.500 -0.418 0.000 2.073 91 R HA -0.199 4.053 4.340 -0.148 0.000 0.234 91 R C 2.532 178.679 176.300 -0.254 0.000 1.134 91 R CA 1.834 57.707 56.100 -0.380 0.000 0.952 91 R CB -0.418 29.524 30.300 -0.597 0.000 0.850 91 R HN 0.387 nan 8.270 nan 0.000 0.433 92 R N -0.713 119.622 120.500 -0.276 0.000 2.127 92 R HA -0.120 4.131 4.340 -0.148 0.000 0.238 92 R C 1.591 177.656 176.300 -0.392 0.000 1.134 92 R CA 2.064 58.002 56.100 -0.270 0.000 0.975 92 R CB -0.496 29.646 30.300 -0.263 0.000 0.865 92 R HN 0.233 nan 8.270 nan 0.000 0.447 93 T N -0.096 114.228 114.554 -0.383 0.000 2.777 93 T HA -0.059 4.202 4.350 -0.148 0.000 0.266 93 T C 1.606 176.238 174.700 -0.113 0.000 1.040 93 T CA 1.604 63.483 62.100 -0.369 0.000 1.141 93 T CB 0.062 68.809 68.868 -0.202 0.000 0.868 93 T HN 0.124 nan 8.240 nan 0.000 0.444 94 V N 1.183 121.066 119.914 -0.052 0.000 2.725 94 V HA 0.146 4.178 4.120 -0.148 0.000 0.247 94 V C 2.792 178.989 176.094 0.173 0.000 1.058 94 V CA 0.852 63.201 62.300 0.082 0.000 1.080 94 V CB -1.098 30.801 31.823 0.127 0.000 0.713 94 V HN 0.441 nan 8.190 nan 0.000 0.465 95 A N 1.157 124.035 122.820 0.097 0.000 1.940 95 A HA -0.210 4.022 4.320 -0.148 0.000 0.221 95 A C 0.578 178.272 177.584 0.183 0.000 1.190 95 A CA 2.488 54.607 52.037 0.136 0.000 0.647 95 A CB -1.995 17.020 19.000 0.025 0.000 0.821 95 A HN 0.538 nan 8.150 nan 0.000 0.457 96 P HA -0.151 nan 4.420 nan 0.000 0.216 96 P C 1.568 178.925 177.300 0.096 0.000 1.150 96 P CA 1.859 65.031 63.100 0.120 0.000 0.843 96 P CB -0.157 31.621 31.700 0.131 0.000 0.787 97 A N -2.164 120.701 122.820 0.075 0.000 2.121 97 A HA -0.153 4.079 4.320 -0.148 0.000 0.218 97 A C 1.217 178.755 177.584 -0.077 0.000 1.154 97 A CA 1.206 53.210 52.037 -0.054 0.000 0.679 97 A CB -1.428 17.455 19.000 -0.195 0.000 0.795 97 A HN 0.230 nan 8.150 nan 0.000 0.458 98 Y N 0.464 120.855 120.300 0.152 0.000 2.555 98 Y HA 0.178 4.639 4.550 -0.150 0.000 0.259 98 Y C 1.362 177.294 175.900 0.053 0.000 1.179 98 Y CA -0.164 57.999 58.100 0.105 0.000 1.230 98 Y CB -0.048 38.447 38.460 0.060 0.000 1.146 98 Y HN 0.314 nan 8.280 nan 0.000 0.526 99 S N 0.225 116.019 115.700 0.156 0.000 2.566 99 S HA 0.123 4.504 4.470 -0.148 0.000 0.280 99 S C 1.668 176.315 174.600 0.079 0.000 1.343 99 S CA -0.015 58.245 58.200 0.100 0.000 1.036 99 S CB 1.423 64.665 63.200 0.070 0.000 0.866 99 S HN 0.406 nan 8.310 nan 0.000 0.526 100 A N 3.079 125.934 122.820 0.059 0.000 1.940 100 A HA -0.128 4.103 4.320 -0.148 0.000 0.219 100 A C 2.421 180.029 177.584 0.039 0.000 1.176 100 A CA 1.618 53.681 52.037 0.045 0.000 0.631 100 A CB -0.712 18.308 19.000 0.034 0.000 0.814 100 A HN 0.932 nan 8.150 nan 0.000 0.446 101 R N -1.104 119.418 120.500 0.036 0.000 2.070 101 R HA -0.164 4.087 4.340 -0.148 0.000 0.232 101 R C 2.534 178.854 176.300 0.033 0.000 1.138 101 R CA 1.896 58.014 56.100 0.030 0.000 0.936 101 R CB -0.275 30.040 30.300 0.025 0.000 0.839 101 R HN 0.566 nan 8.270 nan 0.000 0.429 102 R N 0.291 120.815 120.500 0.040 0.000 2.148 102 R HA -0.041 4.211 4.340 -0.148 0.000 0.227 102 R C 2.038 178.370 176.300 0.053 0.000 1.103 102 R CA 1.290 57.415 56.100 0.042 0.000 0.983 102 R CB -0.060 30.265 30.300 0.042 0.000 0.874 102 R HN 0.122 nan 8.270 nan 0.000 0.451 103 M N 0.582 120.214 119.600 0.053 0.000 2.132 103 M HA -0.090 4.301 4.480 -0.148 0.000 0.263 103 M C 1.819 178.141 176.300 0.036 0.000 1.065 103 M CA 1.516 56.842 55.300 0.044 0.000 1.122 103 M CB -0.742 31.881 32.600 0.038 0.000 1.365 103 M HN 0.198 nan 8.290 nan 0.000 0.411 104 E N 0.317 120.537 120.200 0.032 0.000 2.160 104 E HA -0.182 4.080 4.350 -0.148 0.000 0.195 104 E C 2.095 178.710 176.600 0.026 0.000 0.991 104 E CA 1.061 57.477 56.400 0.027 0.000 0.810 104 E CB -0.252 29.462 29.700 0.023 0.000 0.742 104 E HN 0.526 nan 8.360 nan 0.000 0.466 105 R N 0.078 120.595 120.500 0.029 0.000 2.096 105 R HA -0.116 4.135 4.340 -0.148 0.000 0.235 105 R C 2.376 178.696 176.300 0.033 0.000 1.127 105 R CA 0.743 56.860 56.100 0.028 0.000 0.968 105 R CB -0.279 30.037 30.300 0.026 0.000 0.861 105 R HN 0.065 nan 8.270 nan 0.000 0.440 106 L N 1.072 122.321 121.223 0.044 0.000 2.240 106 L HA -0.037 4.215 4.340 -0.148 0.000 0.211 106 L C 2.316 179.210 176.870 0.039 0.000 1.106 106 L CA 1.336 56.208 54.840 0.053 0.000 0.793 106 L CB -0.423 41.682 42.059 0.076 0.000 0.927 106 L HN 0.004 nan 8.230 nan 0.000 0.446 107 R N -0.140 120.378 120.500 0.031 0.000 2.134 107 R HA -0.215 4.036 4.340 -0.148 0.000 0.248 107 R C -0.495 175.819 176.300 0.022 0.000 1.143 107 R CA 2.397 58.512 56.100 0.025 0.000 0.957 107 R CB -1.363 28.950 30.300 0.022 0.000 0.867 107 R HN 0.319 nan 8.270 nan 0.000 0.441 108 P HA -0.127 nan 4.420 nan 0.000 0.216 108 P C 0.674 177.984 177.300 0.017 0.000 1.153 108 P CA 1.452 64.561 63.100 0.016 0.000 0.848 108 P CB -0.083 31.625 31.700 0.014 0.000 0.787 109 R N -0.937 119.577 120.500 0.023 0.000 2.115 109 R HA -0.003 4.248 4.340 -0.148 0.000 0.230 109 R C 2.278 178.595 176.300 0.027 0.000 1.111 109 R CA 0.923 57.037 56.100 0.024 0.000 0.976 109 R CB -0.711 29.610 30.300 0.035 0.000 0.870 109 R HN 0.235 nan 8.270 nan 0.000 0.445 110 I N 0.479 121.068 120.570 0.032 0.000 2.252 110 I HA -0.246 3.835 4.170 -0.148 0.000 0.245 110 I C 1.993 178.125 176.117 0.024 0.000 1.102 110 I CA 1.347 62.666 61.300 0.033 0.000 1.385 110 I CB -0.150 37.869 38.000 0.030 0.000 1.064 110 I HN 0.188 nan 8.210 nan 0.000 0.414 111 E N 0.573 120.784 120.200 0.019 0.000 2.049 111 E HA -0.314 3.947 4.350 -0.148 0.000 0.198 111 E C 2.075 178.680 176.600 0.008 0.000 1.007 111 E CA 1.779 58.187 56.400 0.013 0.000 0.809 111 E CB -0.112 29.594 29.700 0.010 0.000 0.749 111 E HN 0.427 nan 8.360 nan 0.000 0.450 112 E N 0.680 120.882 120.200 0.003 0.000 2.023 112 E HA -0.246 4.016 4.350 -0.148 0.000 0.196 112 E C 2.139 178.730 176.600 -0.015 0.000 1.003 112 E CA 1.389 57.785 56.400 -0.007 0.000 0.809 112 E CB -0.185 29.509 29.700 -0.010 0.000 0.755 112 E HN 0.228 nan 8.360 nan 0.000 0.449 113 I N 0.630 121.193 120.570 -0.012 0.000 2.194 113 I HA -0.325 3.757 4.170 -0.148 0.000 0.246 113 I C 2.484 178.602 176.117 0.001 0.000 1.093 113 I CA 1.000 62.288 61.300 -0.021 0.000 1.355 113 I CB -0.242 37.770 38.000 0.021 0.000 1.046 113 I HN 0.110 nan 8.210 nan 0.000 0.413 114 V N 0.517 120.442 119.914 0.018 0.000 2.233 114 V HA -0.273 3.759 4.120 -0.148 0.000 0.247 114 V C 2.518 178.627 176.094 0.025 0.000 1.050 114 V CA 1.923 64.238 62.300 0.026 0.000 1.010 114 V CB -0.649 31.192 31.823 0.029 0.000 0.637 114 V HN 0.406 nan 8.190 nan 0.000 0.444 115 E N -0.153 120.055 120.200 0.013 0.000 2.097 115 E HA -0.291 3.970 4.350 -0.148 0.000 0.196 115 E C 2.190 178.801 176.600 0.018 0.000 1.000 115 E CA 1.601 58.007 56.400 0.011 0.000 0.804 115 E CB -0.303 29.395 29.700 -0.003 0.000 0.740 115 E HN 0.702 nan 8.360 nan 0.000 0.454 116 E N -0.217 119.983 120.200 -0.000 0.000 2.110 116 E HA -0.160 4.101 4.350 -0.148 0.000 0.193 116 E C 2.044 178.656 176.600 0.020 0.000 0.988 116 E CA 1.176 57.570 56.400 -0.010 0.000 0.804 116 E CB 0.059 29.721 29.700 -0.063 0.000 0.745 116 E HN 0.209 nan 8.360 nan 0.000 0.458 117 C N 0.007 119.328 119.300 0.035 0.000 2.467 117 C HA 0.054 4.425 4.460 -0.148 0.000 0.279 117 C C 2.414 177.489 174.990 0.141 0.000 1.347 117 C CA 0.042 59.111 59.018 0.085 0.000 1.748 117 C CB -0.649 27.138 27.740 0.078 0.000 1.977 117 C HN 0.442 nan 8.230 nan 0.000 0.501 118 L N 0.644 121.946 121.223 0.131 0.000 2.217 118 L HA -0.090 4.161 4.340 -0.148 0.000 0.211 118 L C 2.136 179.160 176.870 0.257 0.000 1.107 118 L CA 1.166 56.141 54.840 0.224 0.000 0.783 118 L CB -0.642 41.525 42.059 0.180 0.000 0.919 118 L HN 0.358 nan 8.230 nan 0.000 0.442 119 D N 0.094 120.584 120.400 0.150 0.000 2.117 119 D HA -0.211 4.340 4.640 -0.148 0.000 0.198 119 D C 1.682 178.065 176.300 0.139 0.000 0.982 119 D CA 1.453 55.525 54.000 0.120 0.000 0.828 119 D CB -0.053 40.787 40.800 0.066 0.000 0.967 119 D HN 0.310 nan 8.370 nan 0.000 0.464 120 D N -0.602 119.887 120.400 0.148 0.000 2.144 120 D HA -0.143 4.408 4.640 -0.148 0.000 0.200 120 D C 1.873 178.285 176.300 0.185 0.000 0.978 120 D CA 0.449 54.539 54.000 0.151 0.000 0.833 120 D CB -0.128 40.767 40.800 0.158 0.000 0.961 120 D HN 0.100 nan 8.370 nan 0.000 0.470 121 F N 1.185 121.189 119.950 0.091 0.000 2.102 121 F HA -0.088 4.346 4.527 -0.154 0.000 0.298 121 F C 2.191 178.046 175.800 0.093 0.000 1.105 121 F CA 1.550 59.596 58.000 0.077 0.000 1.239 121 F CB -0.158 38.871 39.000 0.048 0.000 0.991 121 F HN -0.072 nan 8.300 nan 0.000 0.474 122 E N -0.602 119.668 120.200 0.118 0.000 2.150 122 E HA -0.207 4.054 4.350 -0.148 0.000 0.193 122 E C 2.321 179.012 176.600 0.152 0.000 0.985 122 E CA 0.948 57.412 56.400 0.108 0.000 0.814 122 E CB -0.222 29.613 29.700 0.226 0.000 0.752 122 E HN 0.435 nan 8.360 nan 0.000 0.466 123 S N -0.210 115.547 115.700 0.094 0.000 2.353 123 S HA -0.110 4.271 4.470 -0.148 0.000 0.222 123 S C 0.903 175.520 174.600 0.029 0.000 1.035 123 S CA 0.894 59.135 58.200 0.068 0.000 1.025 123 S CB -0.191 63.044 63.200 0.058 0.000 0.902 123 S HN 0.108 nan 8.310 nan 0.000 0.440 124 V N 1.999 121.890 119.914 -0.037 0.000 2.763 124 V HA 0.363 4.394 4.120 -0.148 0.000 0.306 124 V C 1.326 177.379 176.094 -0.067 0.000 1.059 124 V CA -0.112 62.131 62.300 -0.096 0.000 1.138 124 V CB 0.012 31.694 31.823 -0.234 0.000 0.940 124 V HN 0.501 nan 8.190 nan 0.000 0.489 125 G N 2.523 111.271 108.800 -0.087 0.000 2.491 125 G HA2 0.457 4.328 3.960 -0.148 0.000 0.242 125 G HA3 0.457 4.328 3.960 -0.148 0.000 0.242 125 G C 0.244 174.996 174.900 -0.247 0.000 1.266 125 G CA 0.071 45.095 45.100 -0.128 0.000 0.844 125 G HN 1.261 nan 8.290 nan 0.000 0.571 126 A N 3.085 125.624 122.820 -0.469 0.000 2.462 126 A HA 0.540 4.771 4.320 -0.148 0.000 0.243 126 A C -1.176 176.196 177.584 -0.355 0.000 1.076 126 A CA -0.792 50.859 52.037 -0.643 0.000 0.773 126 A CB -0.089 18.209 19.000 -1.169 0.000 1.010 126 A HN 0.653 nan 8.150 nan 0.000 0.493 127 P HA 0.472 nan 4.420 nan 0.000 0.274 127 P C -1.014 176.196 177.300 -0.151 0.000 1.231 127 P CA -0.220 62.759 63.100 -0.201 0.000 0.790 127 P CB 1.052 32.690 31.700 -0.104 0.000 0.951 128 V N 1.392 121.263 119.914 -0.071 0.000 2.709 128 V HA 0.183 4.215 4.120 -0.148 0.000 0.308 128 V C -0.178 176.052 176.094 0.226 0.000 1.062 128 V CA -0.744 61.535 62.300 -0.036 0.000 0.901 128 V CB 1.879 33.498 31.823 -0.339 0.000 1.003 128 V HN 0.568 nan 8.190 nan 0.000 0.425 129 D N 2.087 122.645 120.400 0.263 0.000 2.371 129 D HA 0.063 4.614 4.640 -0.148 0.000 0.256 129 D C 0.475 177.081 176.300 0.510 0.000 1.193 129 D CA 0.080 54.284 54.000 0.340 0.000 0.881 129 D CB 0.798 41.758 40.800 0.267 0.000 1.143 129 D HN 0.458 nan 8.370 nan 0.000 0.473 130 F N 3.769 123.908 119.950 0.314 0.000 2.367 130 F HA -0.076 4.367 4.527 -0.140 0.000 0.298 130 F C 1.774 177.645 175.800 0.119 0.000 1.094 130 F CA 0.547 58.676 58.000 0.215 0.000 1.409 130 F CB 0.369 39.390 39.000 0.035 0.000 1.064 130 F HN 0.318 nan 8.300 nan 0.000 0.528 131 V N 0.470 120.501 119.914 0.195 0.000 2.358 131 V HA -0.240 3.792 4.120 -0.148 0.000 0.246 131 V C 2.435 178.615 176.094 0.143 0.000 1.047 131 V CA 2.234 64.601 62.300 0.112 0.000 1.035 131 V CB -0.631 31.284 31.823 0.152 0.000 0.658 131 V HN 0.265 nan 8.190 nan 0.000 0.452 132 R N -0.764 119.811 120.500 0.125 0.000 2.100 132 R HA -0.039 4.213 4.340 -0.148 0.000 0.220 132 R C 1.938 178.129 176.300 -0.182 0.000 1.091 132 R CA 1.155 57.239 56.100 -0.027 0.000 0.986 132 R CB -0.046 30.154 30.300 -0.166 0.000 0.888 132 R HN 0.627 nan 8.270 nan 0.000 0.444 133 H N -1.756 117.374 119.070 0.101 0.000 2.586 133 H HA 0.402 4.880 4.556 -0.129 0.000 0.273 133 H C 0.438 175.779 175.328 0.021 0.000 0.997 133 H CA 0.443 56.575 56.048 0.139 0.000 1.177 133 H CB 1.385 31.308 29.762 0.267 0.000 1.471 133 H HN 0.321 nan 8.280 nan 0.000 0.538 134 A N -0.230 122.456 122.820 -0.225 0.000 1.621 134 A HA 0.488 4.719 4.320 -0.148 0.000 0.212 134 A C 1.924 179.176 177.584 -0.553 0.000 1.760 134 A CA 0.439 52.127 52.037 -0.582 0.000 1.251 134 A CB -0.730 17.404 19.000 -1.442 0.000 1.168 134 A HN 0.236 nan 8.150 nan 0.000 0.463 135 A N -0.921 121.484 122.820 -0.691 0.000 1.972 135 A HA -0.058 4.174 4.320 -0.148 0.000 0.219 135 A C 1.874 179.296 177.584 -0.270 0.000 1.169 135 A CA 1.543 53.352 52.037 -0.380 0.000 0.635 135 A CB -0.769 18.088 19.000 -0.237 0.000 0.810 135 A HN 0.731 nan 8.150 nan 0.000 0.446 136 W N -0.226 120.978 121.300 -0.160 0.000 2.501 136 W HA 0.048 4.681 4.660 -0.044 0.000 0.309 136 W C -0.584 175.867 176.519 -0.113 0.000 1.165 136 W CA 1.321 58.594 57.345 -0.119 0.000 1.381 136 W CB -1.054 28.329 29.460 -0.127 0.000 1.142 136 W HN 0.242 nan 8.180 nan 0.000 0.509 137 P HA -0.213 nan 4.420 nan 0.000 0.215 137 P C 1.361 178.770 177.300 0.180 0.000 1.153 137 P CA 1.895 65.063 63.100 0.114 0.000 0.853 137 P CB -0.183 31.631 31.700 0.190 0.000 0.788 138 I N 0.374 121.012 120.570 0.113 0.000 2.076 138 I HA -0.182 3.899 4.170 -0.148 0.000 0.237 138 I C -0.373 175.805 176.117 0.102 0.000 1.059 138 I CA 2.211 63.576 61.300 0.108 0.000 1.317 138 I CB -1.999 36.013 38.000 0.020 0.000 1.037 138 I HN 0.067 nan 8.210 nan 0.000 0.398 139 P HA -0.137 nan 4.420 nan 0.000 0.217 139 P C 1.447 178.789 177.300 0.070 0.000 1.151 139 P CA 1.951 65.071 63.100 0.033 0.000 0.828 139 P CB -0.048 31.630 31.700 -0.036 0.000 0.788 140 A N -0.012 122.854 122.820 0.077 0.000 1.859 140 A HA -0.255 3.976 4.320 -0.148 0.000 0.218 140 A C 2.327 179.908 177.584 -0.005 0.000 1.209 140 A CA 1.902 53.959 52.037 0.033 0.000 0.639 140 A CB -2.092 16.887 19.000 -0.036 0.000 0.835 140 A HN 0.074 nan 8.150 nan 0.000 0.450 141 Y N -0.237 120.104 120.300 0.068 0.000 2.128 141 Y HA -0.181 4.288 4.550 -0.136 0.000 0.284 141 Y C 2.316 178.256 175.900 0.067 0.000 1.154 141 Y CA 1.474 59.607 58.100 0.055 0.000 1.149 141 Y CB -0.553 37.932 38.460 0.042 0.000 0.976 141 Y HN 0.244 nan 8.280 nan 0.000 0.505 142 I N -0.676 120.023 120.570 0.216 0.000 2.264 142 I HA -0.353 3.729 4.170 -0.148 0.000 0.248 142 I C 2.530 178.750 176.117 0.172 0.000 1.111 142 I CA 1.187 62.580 61.300 0.155 0.000 1.382 142 I CB -0.589 37.466 38.000 0.092 0.000 1.060 142 I HN 0.195 nan 8.210 nan 0.000 0.418 143 A N -0.217 122.697 122.820 0.157 0.000 1.933 143 A HA -0.228 4.004 4.320 -0.148 0.000 0.218 143 A C 2.422 180.139 177.584 0.223 0.000 1.175 143 A CA 1.818 53.977 52.037 0.203 0.000 0.628 143 A CB -1.107 17.986 19.000 0.154 0.000 0.814 143 A HN 0.544 nan 8.150 nan 0.000 0.444 144 C N -0.899 118.499 119.300 0.164 0.000 2.466 144 C HA -0.019 4.352 4.460 -0.148 0.000 0.278 144 C C 2.647 177.726 174.990 0.149 0.000 1.288 144 C CA 0.894 59.996 59.018 0.140 0.000 1.722 144 C CB -0.942 26.867 27.740 0.114 0.000 2.017 144 C HN 0.583 nan 8.230 nan 0.000 0.488 145 E N 0.199 120.502 120.200 0.171 0.000 2.118 145 E HA -0.188 4.073 4.350 -0.148 0.000 0.195 145 E C 1.752 178.444 176.600 0.153 0.000 0.992 145 E CA 1.118 57.604 56.400 0.143 0.000 0.804 145 E CB -0.511 29.271 29.700 0.137 0.000 0.741 145 E HN 0.804 nan 8.360 nan 0.000 0.458 146 F N 0.524 120.492 119.950 0.031 0.000 2.234 146 F HA -0.115 4.321 4.527 -0.151 0.000 0.299 146 F C 1.874 177.668 175.800 -0.008 0.000 1.087 146 F CA 0.701 58.699 58.000 -0.004 0.000 1.340 146 F CB 0.212 39.207 39.000 -0.008 0.000 1.031 146 F HN -0.041 nan 8.300 nan 0.000 0.500 147 L N 0.650 121.839 121.223 -0.058 0.000 2.599 147 L HA 0.175 4.426 4.340 -0.148 0.000 0.230 147 L C 1.431 178.259 176.870 -0.071 0.000 1.141 147 L CA 1.192 55.959 54.840 -0.122 0.000 0.877 147 L CB -1.495 40.580 42.059 0.026 0.000 1.009 147 L HN 0.463 nan 8.230 nan 0.000 0.447 148 G N 0.994 109.771 108.800 -0.039 0.000 2.273 148 G HA2 -0.252 3.619 3.960 -0.148 0.000 0.280 148 G HA3 -0.252 3.619 3.960 -0.148 0.000 0.280 148 G C 0.240 175.165 174.900 0.042 0.000 1.047 148 G CA 0.277 45.373 45.100 -0.007 0.000 0.869 148 G HN 0.161 nan 8.290 nan 0.000 0.502 149 V N 1.136 121.100 119.914 0.084 0.000 2.555 149 V HA 0.291 4.322 4.120 -0.148 0.000 0.286 149 V C -1.135 175.031 176.094 0.120 0.000 1.044 149 V CA -1.262 61.123 62.300 0.141 0.000 1.026 149 V CB 1.210 33.127 31.823 0.156 0.000 0.981 149 V HN 0.208 nan 8.190 nan 0.000 0.480 150 P HA 0.067 nan 4.420 nan 0.000 0.264 150 P C 0.683 178.041 177.300 0.097 0.000 1.183 150 P CA 0.016 63.175 63.100 0.099 0.000 0.763 150 P CB 0.532 32.295 31.700 0.106 0.000 0.807 151 R N 3.195 123.740 120.500 0.074 0.000 2.112 151 R HA -0.211 4.041 4.340 -0.148 0.000 0.242 151 R C 1.034 177.382 176.300 0.079 0.000 1.137 151 R CA 2.105 58.248 56.100 0.072 0.000 0.944 151 R CB -0.830 29.495 30.300 0.043 0.000 0.857 151 R HN 0.419 nan 8.270 nan 0.000 0.435 152 D N -0.260 120.179 120.400 0.066 0.000 2.392 152 D HA -0.073 4.479 4.640 -0.148 0.000 0.228 152 D C 0.482 176.819 176.300 0.063 0.000 1.003 152 D CA 0.903 54.939 54.000 0.060 0.000 0.917 152 D CB -0.007 40.822 40.800 0.049 0.000 0.890 152 D HN 0.337 nan 8.370 nan 0.000 0.532 153 D N -0.754 119.688 120.400 0.070 0.000 2.388 153 D HA 0.030 4.581 4.640 -0.148 0.000 0.208 153 D C 1.875 178.160 176.300 -0.024 0.000 1.035 153 D CA 0.154 54.172 54.000 0.030 0.000 0.875 153 D CB 0.133 40.985 40.800 0.086 0.000 0.984 153 D HN 0.160 nan 8.370 nan 0.000 0.508 154 Q N 0.724 120.559 119.800 0.060 0.000 2.096 154 Q HA -0.157 4.095 4.340 -0.148 0.000 0.204 154 Q C 2.133 178.135 176.000 0.004 0.000 0.982 154 Q CA 1.573 57.425 55.803 0.082 0.000 0.850 154 Q CB -0.139 28.780 28.738 0.302 0.000 0.901 154 Q HN 0.219 nan 8.270 nan 0.000 0.422 155 A N 1.352 124.250 122.820 0.129 0.000 1.859 155 A HA -0.295 3.936 4.320 -0.148 0.000 0.217 155 A C 2.009 179.545 177.584 -0.079 0.000 1.198 155 A CA 1.918 53.995 52.037 0.067 0.000 0.629 155 A CB -0.699 18.384 19.000 0.138 0.000 0.830 155 A HN 0.323 nan 8.150 nan 0.000 0.446 156 E N -0.546 119.612 120.200 -0.070 0.000 2.038 156 E HA -0.189 4.072 4.350 -0.148 0.000 0.195 156 E C 1.825 178.320 176.600 -0.175 0.000 1.000 156 E CA 1.432 57.767 56.400 -0.108 0.000 0.803 156 E CB -0.430 29.218 29.700 -0.088 0.000 0.750 156 E HN 0.410 nan 8.360 nan 0.000 0.448 157 L N 0.087 121.168 121.223 -0.237 0.000 2.131 157 L HA -0.119 4.132 4.340 -0.148 0.000 0.210 157 L C 2.116 178.847 176.870 -0.231 0.000 1.092 157 L CA 1.823 56.485 54.840 -0.297 0.000 0.759 157 L CB -0.594 41.201 42.059 -0.440 0.000 0.903 157 L HN 0.044 nan 8.230 nan 0.000 0.435 158 S N -0.859 114.689 115.700 -0.254 0.000 2.383 158 S HA -0.131 4.250 4.470 -0.148 0.000 0.227 158 S C 2.049 176.493 174.600 -0.260 0.000 1.026 158 S CA 0.905 58.937 58.200 -0.280 0.000 0.981 158 S CB -0.296 62.612 63.200 -0.486 0.000 0.818 158 S HN 0.427 nan 8.310 nan 0.000 0.472 159 R N 0.833 121.192 120.500 -0.235 0.000 2.080 159 R HA -0.036 4.215 4.340 -0.148 0.000 0.236 159 R C 2.379 178.537 176.300 -0.236 0.000 1.137 159 R CA 1.540 57.504 56.100 -0.226 0.000 0.943 159 R CB -0.350 29.852 30.300 -0.163 0.000 0.846 159 R HN 0.389 nan 8.270 nan 0.000 0.431 160 M N 0.057 119.543 119.600 -0.191 0.000 2.108 160 M HA -0.220 4.171 4.480 -0.148 0.000 0.261 160 M C 2.234 178.427 176.300 -0.178 0.000 1.066 160 M CA 1.690 56.892 55.300 -0.163 0.000 1.107 160 M CB -0.300 32.223 32.600 -0.129 0.000 1.356 160 M HN 0.183 nan 8.290 nan 0.000 0.406 161 I N -0.604 119.858 120.570 -0.180 0.000 2.127 161 I HA -0.340 3.741 4.170 -0.148 0.000 0.241 161 I C 2.664 178.584 176.117 -0.328 0.000 1.075 161 I CA 1.465 62.676 61.300 -0.147 0.000 1.334 161 I CB -0.545 37.427 38.000 -0.046 0.000 1.040 161 I HN 0.293 nan 8.210 nan 0.000 0.405 162 R N 1.175 121.313 120.500 -0.604 0.000 2.080 162 R HA -0.226 4.025 4.340 -0.148 0.000 0.236 162 R C 2.195 178.064 176.300 -0.719 0.000 1.137 162 R CA 2.016 57.391 56.100 -1.209 0.000 0.943 162 R CB -0.202 29.368 30.300 -1.217 0.000 0.846 162 R HN 0.372 nan 8.270 nan 0.000 0.431 163 E N -0.093 119.844 120.200 -0.437 0.000 2.153 163 E HA -0.153 4.109 4.350 -0.148 0.000 0.194 163 E C 1.903 178.388 176.600 -0.193 0.000 0.988 163 E CA 1.542 57.776 56.400 -0.276 0.000 0.811 163 E CB 0.031 29.609 29.700 -0.203 0.000 0.746 163 E HN 0.486 nan 8.360 nan 0.000 0.466 164 S N 0.112 115.710 115.700 -0.170 0.000 2.481 164 S HA -0.004 4.378 4.470 -0.148 0.000 0.231 164 S C 1.762 176.323 174.600 -0.066 0.000 0.996 164 S CA 0.393 58.537 58.200 -0.094 0.000 0.942 164 S CB 0.160 63.321 63.200 -0.064 0.000 0.768 164 S HN 0.080 nan 8.310 nan 0.000 0.520 165 R N 1.237 121.681 120.500 -0.095 0.000 2.250 165 R HA 0.214 4.465 4.340 -0.148 0.000 0.194 165 R C 1.332 177.629 176.300 -0.005 0.000 0.927 165 R CA 1.187 57.283 56.100 -0.006 0.000 1.052 165 R CB -0.115 30.257 30.300 0.120 0.000 1.055 165 R HN 0.897 nan 8.270 nan 0.000 0.537 166 E N 0.219 120.365 120.200 -0.090 0.000 2.810 166 E HA 0.091 4.352 4.350 -0.148 0.000 0.214 166 E C -0.537 176.017 176.600 -0.077 0.000 0.980 166 E CA -0.239 56.130 56.400 -0.053 0.000 1.159 166 E CB 0.464 30.155 29.700 -0.015 0.000 1.047 166 E HN -0.042 nan 8.360 nan 0.000 0.484 167 S N 0.396 116.043 115.700 -0.089 0.000 2.565 167 S HA 0.267 4.648 4.470 -0.148 0.000 0.274 167 S C 0.870 175.441 174.600 -0.049 0.000 1.309 167 S CA -0.724 57.429 58.200 -0.078 0.000 1.043 167 S CB 2.059 65.208 63.200 -0.085 0.000 0.939 167 S HN 0.275 nan 8.310 nan 0.000 0.504 168 R N 1.003 121.478 120.500 -0.042 0.000 2.120 168 R HA 0.105 4.357 4.340 -0.148 0.000 0.234 168 R C -0.017 176.267 176.300 -0.027 0.000 1.123 168 R CA 0.856 56.938 56.100 -0.030 0.000 0.975 168 R CB -0.348 29.936 30.300 -0.027 0.000 0.866 168 R HN 0.660 nan 8.270 nan 0.000 0.446 169 L N 0.701 121.905 121.223 -0.031 0.000 2.292 169 L HA 0.223 4.475 4.340 -0.148 0.000 0.284 169 L C -1.706 175.148 176.870 -0.027 0.000 1.065 169 L CA -1.947 52.876 54.840 -0.027 0.000 0.806 169 L CB 1.506 43.548 42.059 -0.029 0.000 1.175 169 L HN -0.110 nan 8.230 nan 0.000 0.431 170 P HA -0.057 nan 4.420 nan 0.000 0.216 170 P C 1.407 178.695 177.300 -0.020 0.000 1.153 170 P CA 1.106 64.194 63.100 -0.019 0.000 0.844 170 P CB 0.190 31.881 31.700 -0.014 0.000 0.787 171 R N -0.447 120.042 120.500 -0.019 0.000 2.083 171 R HA -0.203 4.049 4.340 -0.148 0.000 0.237 171 R C 2.484 178.769 176.300 -0.024 0.000 1.137 171 R CA 1.618 57.707 56.100 -0.019 0.000 0.951 171 R CB -0.658 29.632 30.300 -0.017 0.000 0.851 171 R HN 0.122 nan 8.270 nan 0.000 0.434 172 Q N 0.827 120.608 119.800 -0.031 0.000 2.084 172 Q HA -0.183 4.068 4.340 -0.148 0.000 0.202 172 Q C 1.931 177.904 176.000 -0.046 0.000 0.978 172 Q CA 1.760 57.538 55.803 -0.041 0.000 0.844 172 Q CB -0.168 28.541 28.738 -0.048 0.000 0.898 172 Q HN 0.152 nan 8.270 nan 0.000 0.426 173 R N -1.109 119.365 120.500 -0.043 0.000 2.081 173 R HA -0.109 4.142 4.340 -0.148 0.000 0.235 173 R C 1.843 178.125 176.300 -0.031 0.000 1.131 173 R CA 1.926 58.001 56.100 -0.042 0.000 0.960 173 R CB -0.279 30.001 30.300 -0.033 0.000 0.856 173 R HN 0.346 nan 8.270 nan 0.000 0.436 174 T N 1.075 115.615 114.554 -0.023 0.000 2.857 174 T HA -0.048 4.213 4.350 -0.148 0.000 0.266 174 T C 1.792 176.483 174.700 -0.015 0.000 1.048 174 T CA 1.085 63.176 62.100 -0.015 0.000 1.139 174 T CB -0.079 68.783 68.868 -0.011 0.000 0.874 174 T HN 0.132 nan 8.240 nan 0.000 0.455 175 L N 0.977 122.187 121.223 -0.020 0.000 1.976 175 L HA -0.101 4.150 4.340 -0.148 0.000 0.209 175 L C 2.923 179.779 176.870 -0.023 0.000 1.071 175 L CA 1.207 56.036 54.840 -0.019 0.000 0.746 175 L CB -0.763 41.282 42.059 -0.024 0.000 0.890 175 L HN 0.202 nan 8.230 nan 0.000 0.432 176 S N 0.184 115.861 115.700 -0.038 0.000 2.383 176 S HA -0.172 4.209 4.470 -0.148 0.000 0.229 176 S C 2.040 176.619 174.600 -0.034 0.000 1.030 176 S CA 1.203 59.373 58.200 -0.050 0.000 1.002 176 S CB -0.884 62.267 63.200 -0.081 0.000 0.829 176 S HN 0.630 nan 8.310 nan 0.000 0.467 177 G N 1.724 110.509 108.800 -0.024 0.000 2.476 177 G HA2 -0.190 3.682 3.960 -0.148 0.000 0.218 177 G HA3 -0.190 3.682 3.960 -0.148 0.000 0.218 177 G C 1.340 176.244 174.900 0.007 0.000 1.164 177 G CA 0.867 45.963 45.100 -0.007 0.000 0.768 177 G HN 0.456 nan 8.290 nan 0.000 0.560 178 L N 0.672 121.899 121.223 0.006 0.000 2.072 178 L HA 0.108 4.359 4.340 -0.148 0.000 0.205 178 L C 3.217 180.104 176.870 0.028 0.000 1.079 178 L CA 0.808 55.658 54.840 0.016 0.000 0.752 178 L CB -0.685 41.381 42.059 0.012 0.000 0.906 178 L HN 0.309 nan 8.230 nan 0.000 0.436 179 G N 0.675 109.487 108.800 0.020 0.000 2.513 179 G HA2 -0.294 3.577 3.960 -0.148 0.000 0.219 179 G HA3 -0.294 3.577 3.960 -0.148 0.000 0.219 179 G C 1.548 176.489 174.900 0.068 0.000 1.160 179 G CA 1.271 46.392 45.100 0.035 0.000 0.767 179 G HN 0.326 nan 8.290 nan 0.000 0.571 180 I N 0.146 120.742 120.570 0.044 0.000 2.233 180 I HA -0.117 3.965 4.170 -0.148 0.000 0.243 180 I C 2.792 178.970 176.117 0.103 0.000 1.093 180 I CA 0.369 61.710 61.300 0.068 0.000 1.380 180 I CB -0.342 37.677 38.000 0.031 0.000 1.067 180 I HN 0.038 nan 8.210 nan 0.000 0.413 181 V N 1.363 121.319 119.914 0.071 0.000 2.255 181 V HA -0.310 3.721 4.120 -0.148 0.000 0.247 181 V C 2.204 178.339 176.094 0.068 0.000 1.051 181 V CA 2.103 64.441 62.300 0.064 0.000 1.018 181 V CB -0.908 30.941 31.823 0.044 0.000 0.641 181 V HN 0.468 nan 8.190 nan 0.000 0.445 182 N N -0.894 117.847 118.700 0.069 0.000 2.120 182 N HA -0.191 4.461 4.740 -0.148 0.000 0.188 182 N C 1.832 177.385 175.510 0.073 0.000 1.024 182 N CA 1.812 54.897 53.050 0.059 0.000 0.852 182 N CB -0.388 38.131 38.487 0.053 0.000 1.003 182 N HN 0.660 nan 8.380 nan 0.000 0.424 183 Y N 2.052 122.354 120.300 0.004 0.000 2.200 183 Y HA -0.147 4.321 4.550 -0.137 0.000 0.290 183 Y C 2.370 178.274 175.900 0.007 0.000 1.137 183 Y CA 1.537 59.639 58.100 0.004 0.000 1.163 183 Y CB -0.440 38.022 38.460 0.003 0.000 0.988 183 Y HN -0.031 nan 8.280 nan 0.000 0.518 184 T N 0.570 115.222 114.554 0.164 0.000 2.788 184 T HA -0.184 4.077 4.350 -0.148 0.000 0.268 184 T C 1.750 176.446 174.700 -0.007 0.000 1.044 184 T CA 1.780 63.932 62.100 0.087 0.000 1.139 184 T CB -0.163 68.771 68.868 0.109 0.000 0.867 184 T HN 0.310 nan 8.240 nan 0.000 0.454 185 K N 0.793 121.187 120.400 -0.010 0.000 2.002 185 K HA -0.040 4.191 4.320 -0.148 0.000 0.209 185 K C 2.659 179.220 176.600 -0.066 0.000 1.048 185 K CA 1.136 57.408 56.287 -0.024 0.000 0.930 185 K CB -0.151 32.343 32.500 -0.010 0.000 0.714 185 K HN 0.240 nan 8.250 nan 0.000 0.438 186 R N 0.671 121.103 120.500 -0.114 0.000 2.080 186 R HA -0.170 4.081 4.340 -0.148 0.000 0.236 186 R C 2.459 178.655 176.300 -0.174 0.000 1.137 186 R CA 1.415 57.422 56.100 -0.154 0.000 0.943 186 R CB -0.595 29.572 30.300 -0.221 0.000 0.846 186 R HN 0.128 nan 8.270 nan 0.000 0.431 187 L N 1.045 122.122 121.223 -0.245 0.000 2.046 187 L HA -0.182 4.069 4.340 -0.148 0.000 0.208 187 L C 2.506 179.318 176.870 -0.097 0.000 1.077 187 L CA 2.297 57.020 54.840 -0.195 0.000 0.747 187 L CB -0.679 41.262 42.059 -0.197 0.000 0.896 187 L HN 0.342 nan 8.230 nan 0.000 0.432 188 T N -3.470 111.043 114.554 -0.069 0.000 2.746 188 T HA -0.181 4.080 4.350 -0.148 0.000 0.267 188 T C 2.006 176.682 174.700 -0.040 0.000 1.039 188 T CA 1.522 63.598 62.100 -0.040 0.000 1.142 188 T CB -1.016 67.841 68.868 -0.019 0.000 0.866 188 T HN 0.547 nan 8.240 nan 0.000 0.444 189 S N 1.411 117.084 115.700 -0.046 0.000 2.395 189 S HA 0.180 4.561 4.470 -0.148 0.000 0.225 189 S C 2.469 177.044 174.600 -0.043 0.000 1.027 189 S CA 0.752 58.929 58.200 -0.038 0.000 0.965 189 S CB -1.269 61.910 63.200 -0.035 0.000 0.812 189 S HN 0.650 nan 8.310 nan 0.000 0.482 190 G N 1.712 110.478 108.800 -0.058 0.000 2.432 190 G HA2 -0.106 3.765 3.960 -0.148 0.000 0.219 190 G HA3 -0.106 3.765 3.960 -0.148 0.000 0.219 190 G C 1.615 176.487 174.900 -0.046 0.000 1.135 190 G CA 0.509 45.576 45.100 -0.056 0.000 0.767 190 G HN 0.423 nan 8.290 nan 0.000 0.550 191 K N -0.084 120.288 120.400 -0.047 0.000 2.305 191 K HA 0.095 4.327 4.320 -0.148 0.000 0.199 191 K C 2.456 179.036 176.600 -0.034 0.000 1.047 191 K CA 0.164 56.426 56.287 -0.041 0.000 0.976 191 K CB 0.098 32.571 32.500 -0.045 0.000 0.765 191 K HN 0.142 nan 8.250 nan 0.000 0.474 192 R N 1.748 122.230 120.500 -0.031 0.000 2.066 192 R HA -0.019 4.232 4.340 -0.148 0.000 0.232 192 R C 2.102 178.388 176.300 -0.023 0.000 1.131 192 R CA 1.441 57.526 56.100 -0.024 0.000 0.955 192 R CB -0.091 30.197 30.300 -0.020 0.000 0.851 192 R HN 0.049 nan 8.270 nan 0.000 0.432 193 R N -0.713 119.772 120.500 -0.024 0.000 2.081 193 R HA -0.081 4.171 4.340 -0.148 0.000 0.235 193 R C -0.005 176.282 176.300 -0.022 0.000 1.131 193 R CA 1.489 57.575 56.100 -0.022 0.000 0.960 193 R CB -0.180 30.106 30.300 -0.023 0.000 0.856 193 R HN 0.164 nan 8.270 nan 0.000 0.436 194 D N -0.189 120.195 120.400 -0.025 0.000 2.330 194 D HA 0.217 4.768 4.640 -0.148 0.000 0.249 194 D C -2.773 173.510 176.300 -0.028 0.000 1.306 194 D CA -2.449 51.537 54.000 -0.025 0.000 0.956 194 D CB 1.368 42.154 40.800 -0.023 0.000 1.261 194 D HN -0.170 nan 8.370 nan 0.000 0.544 195 P HA 0.352 nan 4.420 nan 0.000 0.276 195 P C 0.094 177.373 177.300 -0.035 0.000 1.253 195 P CA -0.122 62.957 63.100 -0.035 0.000 0.766 195 P CB 1.556 33.235 31.700 -0.036 0.000 0.845 196 G N 1.960 110.736 108.800 -0.039 0.000 3.212 196 G HA2 0.149 4.021 3.960 -0.148 0.000 0.188 196 G HA3 0.149 4.021 3.960 -0.148 0.000 0.188 196 G C 0.447 175.321 174.900 -0.043 0.000 1.254 196 G CA -0.334 44.745 45.100 -0.034 0.000 0.957 196 G HN 0.378 nan 8.290 nan 0.000 0.596 197 D N -0.582 119.797 120.400 -0.036 0.000 2.221 197 D HA 0.060 4.611 4.640 -0.148 0.000 0.204 197 D C 1.612 177.869 176.300 -0.072 0.000 0.982 197 D CA 1.430 55.407 54.000 -0.039 0.000 0.857 197 D CB -0.446 40.344 40.800 -0.018 0.000 0.934 197 D HN 0.496 nan 8.370 nan 0.000 0.475 198 G N -0.087 108.658 108.800 -0.091 0.000 2.647 198 G HA2 0.181 4.052 3.960 -0.148 0.000 0.271 198 G HA3 0.181 4.052 3.960 -0.148 0.000 0.271 198 G C 0.878 175.623 174.900 -0.258 0.000 1.300 198 G CA 0.221 45.222 45.100 -0.165 0.000 0.997 198 G HN 0.400 nan 8.290 nan 0.000 0.533 199 M N -0.872 118.463 119.600 -0.441 0.000 2.506 199 M HA 0.198 4.589 4.480 -0.148 0.000 0.260 199 M C 1.617 177.764 176.300 -0.255 0.000 1.104 199 M CA 0.955 55.964 55.300 -0.485 0.000 1.112 199 M CB -0.006 32.025 32.600 -0.948 0.000 1.401 199 M HN 0.257 nan 8.290 nan 0.000 0.473 200 I N 1.535 121.989 120.570 -0.194 0.000 2.394 200 I HA -0.031 4.050 4.170 -0.148 0.000 0.251 200 I C 2.533 178.601 176.117 -0.082 0.000 1.136 200 I CA 1.412 62.649 61.300 -0.105 0.000 1.425 200 I CB -2.289 35.664 38.000 -0.077 0.000 1.079 200 I HN 0.498 nan 8.210 nan 0.000 0.425 201 G N 1.795 110.538 108.800 -0.094 0.000 2.414 201 G HA2 -0.164 3.707 3.960 -0.148 0.000 0.215 201 G HA3 -0.164 3.707 3.960 -0.148 0.000 0.215 201 G C 1.800 176.661 174.900 -0.064 0.000 1.188 201 G CA 1.631 46.689 45.100 -0.071 0.000 0.783 201 G HN 0.366 nan 8.290 nan 0.000 0.537 202 V N -0.637 119.231 119.914 -0.077 0.000 2.515 202 V HA -0.031 4.001 4.120 -0.148 0.000 0.250 202 V C 2.647 178.721 176.094 -0.033 0.000 1.058 202 V CA 1.372 63.637 62.300 -0.059 0.000 1.064 202 V CB -0.558 31.229 31.823 -0.061 0.000 0.675 202 V HN 0.370 nan 8.190 nan 0.000 0.461 203 I N 0.202 120.758 120.570 -0.023 0.000 2.315 203 I HA -0.151 3.930 4.170 -0.148 0.000 0.248 203 I C 2.467 178.598 176.117 0.023 0.000 1.117 203 I CA 1.444 62.763 61.300 0.031 0.000 1.404 203 I CB -0.191 37.819 38.000 0.016 0.000 1.071 203 I HN 0.221 nan 8.210 nan 0.000 0.419 204 V N 0.586 120.493 119.914 -0.013 0.000 2.407 204 V HA -0.157 3.875 4.120 -0.148 0.000 0.245 204 V C 2.369 178.440 176.094 -0.038 0.000 1.041 204 V CA 1.484 63.773 62.300 -0.018 0.000 1.040 204 V CB -0.703 31.106 31.823 -0.024 0.000 0.671 204 V HN 0.355 nan 8.190 nan 0.000 0.455 205 R N -0.075 120.393 120.500 -0.053 0.000 2.280 205 R HA -0.050 4.202 4.340 -0.148 0.000 0.207 205 R C 1.744 177.975 176.300 -0.115 0.000 1.043 205 R CA 0.932 56.990 56.100 -0.069 0.000 1.006 205 R CB 0.004 30.268 30.300 -0.061 0.000 0.885 205 R HN 0.629 nan 8.270 nan 0.000 0.467 206 E N -1.240 118.859 120.200 -0.168 0.000 2.391 206 E HA 0.079 4.340 4.350 -0.148 0.000 0.206 206 E C 0.159 176.379 176.600 -0.633 0.000 0.851 206 E CA 0.174 56.341 56.400 -0.388 0.000 1.059 206 E CB 0.741 30.187 29.700 -0.424 0.000 1.065 206 E HN 0.352 nan 8.360 nan 0.000 0.512 207 H N -0.717 118.339 119.070 -0.023 0.000 2.924 207 H HA 0.211 4.678 4.556 -0.148 0.000 0.229 207 H C 1.001 176.315 175.328 -0.024 0.000 1.345 207 H CA 0.226 56.260 56.048 -0.024 0.000 1.044 207 H CB 0.743 30.488 29.762 -0.028 0.000 2.221 207 H HN 0.164 nan 8.280 nan 0.000 0.574 208 G N 1.052 109.871 108.800 0.033 0.000 2.514 208 G HA2 -0.297 3.574 3.960 -0.148 0.000 0.217 208 G HA3 -0.297 3.574 3.960 -0.148 0.000 0.217 208 G C 1.718 176.632 174.900 0.023 0.000 1.198 208 G CA 1.151 46.262 45.100 0.018 0.000 0.780 208 G HN 0.452 nan 8.290 nan 0.000 0.565 209 A N 0.486 123.319 122.820 0.022 0.000 2.015 209 A HA 0.062 4.293 4.320 -0.148 0.000 0.219 209 A C 2.110 179.708 177.584 0.024 0.000 1.163 209 A CA 1.699 53.747 52.037 0.019 0.000 0.646 209 A CB -0.315 18.693 19.000 0.014 0.000 0.806 209 A HN 0.482 nan 8.150 nan 0.000 0.448 210 E N -1.165 119.059 120.200 0.040 0.000 2.333 210 E HA 0.009 4.270 4.350 -0.148 0.000 0.198 210 E C 0.215 176.816 176.600 0.001 0.000 1.007 210 E CA 0.337 56.751 56.400 0.023 0.000 0.845 210 E CB -0.007 29.714 29.700 0.036 0.000 0.766 210 E HN 0.692 nan 8.360 nan 0.000 0.507 211 I N 0.680 121.256 120.570 0.010 0.000 2.465 211 I HA 0.097 4.178 4.170 -0.148 0.000 0.291 211 I C -0.186 175.938 176.117 0.010 0.000 1.014 211 I CA -0.726 60.575 61.300 0.001 0.000 1.093 211 I CB 1.487 39.487 38.000 -0.001 0.000 1.267 211 I HN -0.127 nan 8.210 nan 0.000 0.431 212 S N 4.448 120.157 115.700 0.015 0.000 2.592 212 S HA 0.162 4.543 4.470 -0.148 0.000 0.271 212 S C 0.757 175.370 174.600 0.022 0.000 1.326 212 S CA -0.489 57.724 58.200 0.022 0.000 1.024 212 S CB 1.280 64.499 63.200 0.032 0.000 0.921 212 S HN 0.710 nan 8.310 nan 0.000 0.527 213 D N 1.456 121.867 120.400 0.018 0.000 2.133 213 D HA -0.196 4.356 4.640 -0.148 0.000 0.195 213 D C 1.988 178.302 176.300 0.023 0.000 0.997 213 D CA 1.929 55.938 54.000 0.015 0.000 0.840 213 D CB -0.122 40.684 40.800 0.010 0.000 0.947 213 D HN 0.965 nan 8.370 nan 0.000 0.452 214 E N 1.067 121.286 120.200 0.031 0.000 2.208 214 E HA -0.160 4.101 4.350 -0.148 0.000 0.193 214 E C 1.463 178.097 176.600 0.057 0.000 0.988 214 E CA 0.820 57.245 56.400 0.041 0.000 0.828 214 E CB -0.212 29.514 29.700 0.043 0.000 0.763 214 E HN 0.307 nan 8.360 nan 0.000 0.478 215 E N 0.609 120.845 120.200 0.060 0.000 2.285 215 E HA 0.001 4.263 4.350 -0.148 0.000 0.194 215 E C 2.181 178.812 176.600 0.053 0.000 0.997 215 E CA 0.235 56.679 56.400 0.072 0.000 0.845 215 E CB 0.120 29.856 29.700 0.059 0.000 0.782 215 E HN 0.305 nan 8.360 nan 0.000 0.491 216 L N 0.449 121.694 121.223 0.036 0.000 2.005 216 L HA -0.150 4.101 4.340 -0.148 0.000 0.207 216 L C 2.573 179.465 176.870 0.037 0.000 1.072 216 L CA 1.095 55.952 54.840 0.028 0.000 0.744 216 L CB -0.408 41.659 42.059 0.013 0.000 0.895 216 L HN 0.146 nan 8.230 nan 0.000 0.433 217 A N 0.002 122.843 122.820 0.036 0.000 1.908 217 A HA -0.178 4.053 4.320 -0.148 0.000 0.218 217 A C 2.298 179.917 177.584 0.058 0.000 1.181 217 A CA 1.956 54.017 52.037 0.039 0.000 0.627 217 A CB -1.246 17.773 19.000 0.032 0.000 0.818 217 A HN 0.497 nan 8.150 nan 0.000 0.445 218 G N -0.719 108.122 108.800 0.069 0.000 2.408 218 G HA2 0.007 3.879 3.960 -0.148 0.000 0.215 218 G HA3 0.007 3.879 3.960 -0.148 0.000 0.215 218 G C 1.467 176.425 174.900 0.098 0.000 1.156 218 G CA 0.987 46.138 45.100 0.084 0.000 0.793 218 G HN 0.454 nan 8.290 nan 0.000 0.535 219 L N 1.445 122.726 121.223 0.096 0.000 1.994 219 L HA 0.156 4.407 4.340 -0.148 0.000 0.208 219 L C 3.083 180.016 176.870 0.105 0.000 1.071 219 L CA 2.277 57.179 54.840 0.104 0.000 0.745 219 L CB -0.762 41.346 42.059 0.081 0.000 0.892 219 L HN 0.216 nan 8.230 nan 0.000 0.431 220 A N -0.736 122.133 122.820 0.080 0.000 1.865 220 A HA -0.299 3.932 4.320 -0.148 0.000 0.217 220 A C 2.339 179.983 177.584 0.101 0.000 1.191 220 A CA 2.044 54.127 52.037 0.076 0.000 0.623 220 A CB -0.936 18.093 19.000 0.050 0.000 0.826 220 A HN 0.650 nan 8.150 nan 0.000 0.444 221 E N -0.415 119.842 120.200 0.095 0.000 2.038 221 E HA -0.152 4.109 4.350 -0.148 0.000 0.195 221 E C 2.163 178.827 176.600 0.108 0.000 1.000 221 E CA 1.377 57.836 56.400 0.099 0.000 0.803 221 E CB -0.577 29.174 29.700 0.085 0.000 0.750 221 E HN 0.470 nan 8.360 nan 0.000 0.448 222 G N 1.366 110.232 108.800 0.110 0.000 2.514 222 G HA2 -0.345 3.526 3.960 -0.148 0.000 0.217 222 G HA3 -0.345 3.526 3.960 -0.148 0.000 0.217 222 G C 1.493 176.476 174.900 0.139 0.000 1.198 222 G CA 1.126 46.297 45.100 0.118 0.000 0.780 222 G HN 0.348 nan 8.290 nan 0.000 0.565 223 N N 0.027 118.827 118.700 0.167 0.000 2.137 223 N HA -0.132 4.519 4.740 -0.148 0.000 0.190 223 N C 2.178 177.818 175.510 0.217 0.000 1.017 223 N CA 1.170 54.353 53.050 0.222 0.000 0.859 223 N CB -0.145 38.525 38.487 0.305 0.000 1.002 223 N HN 0.245 nan 8.380 nan 0.000 0.428 224 L N 1.521 122.853 121.223 0.182 0.000 1.994 224 L HA -0.102 4.150 4.340 -0.148 0.000 0.208 224 L C 2.058 179.014 176.870 0.144 0.000 1.071 224 L CA 1.403 56.342 54.840 0.165 0.000 0.745 224 L CB -0.379 41.760 42.059 0.133 0.000 0.892 224 L HN 0.095 nan 8.230 nan 0.000 0.431 225 I N -1.324 119.323 120.570 0.129 0.000 2.202 225 I HA -0.332 3.749 4.170 -0.148 0.000 0.242 225 I C 2.477 178.673 176.117 0.131 0.000 1.091 225 I CA 1.543 62.921 61.300 0.130 0.000 1.368 225 I CB -0.258 37.808 38.000 0.109 0.000 1.058 225 I HN 0.290 nan 8.210 nan 0.000 0.410 226 M N 0.231 119.902 119.600 0.119 0.000 2.082 226 M HA -0.276 4.115 4.480 -0.148 0.000 0.258 226 M C 2.660 179.012 176.300 0.087 0.000 1.071 226 M CA 2.243 57.603 55.300 0.100 0.000 1.103 226 M CB -0.818 31.844 32.600 0.104 0.000 1.307 226 M HN 0.360 nan 8.290 nan 0.000 0.409 227 A N 0.423 123.306 122.820 0.106 0.000 1.903 227 A HA -0.199 4.032 4.320 -0.148 0.000 0.219 227 A C 2.362 179.973 177.584 0.046 0.000 1.191 227 A CA 2.642 54.726 52.037 0.078 0.000 0.638 227 A CB -1.099 17.966 19.000 0.108 0.000 0.823 227 A HN 0.584 nan 8.150 nan 0.000 0.451 228 A N -0.950 121.917 122.820 0.079 0.000 1.840 228 A HA -0.128 4.103 4.320 -0.148 0.000 0.214 228 A C 2.097 179.623 177.584 -0.097 0.000 1.198 228 A CA 1.726 53.807 52.037 0.073 0.000 0.608 228 A CB -0.600 18.538 19.000 0.230 0.000 0.839 228 A HN 0.647 nan 8.150 nan 0.000 0.443 229 E N -0.927 119.259 120.200 -0.024 0.000 2.106 229 E HA -0.201 4.060 4.350 -0.148 0.000 0.192 229 E C 2.151 178.620 176.600 -0.219 0.000 0.984 229 E CA 1.005 57.298 56.400 -0.178 0.000 0.806 229 E CB -0.057 29.714 29.700 0.119 0.000 0.750 229 E HN 0.522 nan 8.360 nan 0.000 0.458 230 Q N -0.166 119.581 119.800 -0.088 0.000 2.016 230 Q HA -0.126 4.125 4.340 -0.148 0.000 0.200 230 Q C 2.130 178.075 176.000 -0.093 0.000 0.978 230 Q CA 1.113 56.884 55.803 -0.054 0.000 0.833 230 Q CB -0.263 28.484 28.738 0.015 0.000 0.895 230 Q HN 0.376 nan 8.270 nan 0.000 0.427 231 M N 0.037 119.577 119.600 -0.100 0.000 2.229 231 M HA -0.012 4.379 4.480 -0.148 0.000 0.264 231 M C 2.128 178.312 176.300 -0.193 0.000 1.063 231 M CA 1.124 56.365 55.300 -0.098 0.000 1.114 231 M CB -1.266 31.300 32.600 -0.056 0.000 1.387 231 M HN 0.155 nan 8.290 nan 0.000 0.420 232 A N 0.185 122.772 122.820 -0.389 0.000 1.933 232 A HA -0.018 4.213 4.320 -0.148 0.000 0.218 232 A C 2.418 179.757 177.584 -0.408 0.000 1.175 232 A CA 2.135 53.806 52.037 -0.611 0.000 0.628 232 A CB -0.774 17.336 19.000 -1.483 0.000 0.814 232 A HN 0.465 nan 8.150 nan 0.000 0.444 233 A N -1.379 121.252 122.820 -0.314 0.000 1.874 233 A HA -0.062 4.170 4.320 -0.148 0.000 0.214 233 A C 2.145 179.691 177.584 -0.064 0.000 1.189 233 A CA 1.851 53.792 52.037 -0.160 0.000 0.615 233 A CB -0.477 18.457 19.000 -0.109 0.000 0.830 233 A HN 0.472 nan 8.150 nan 0.000 0.443 234 Q N 0.094 119.861 119.800 -0.057 0.000 2.084 234 Q HA -0.084 4.167 4.340 -0.148 0.000 0.202 234 Q C 1.860 177.859 176.000 -0.001 0.000 0.978 234 Q CA 1.746 57.538 55.803 -0.019 0.000 0.844 234 Q CB -0.550 28.180 28.738 -0.014 0.000 0.898 234 Q HN 0.642 nan 8.270 nan 0.000 0.426 235 L N -0.475 120.745 121.223 -0.006 0.000 1.994 235 L HA -0.166 4.086 4.340 -0.148 0.000 0.208 235 L C 2.378 179.318 176.870 0.117 0.000 1.071 235 L CA 1.250 56.122 54.840 0.055 0.000 0.745 235 L CB -0.808 41.282 42.059 0.052 0.000 0.892 235 L HN 0.298 nan 8.230 nan 0.000 0.431 236 A N -0.514 122.372 122.820 0.110 0.000 1.917 236 A HA -0.187 4.045 4.320 -0.148 0.000 0.219 236 A C 2.284 179.906 177.584 0.063 0.000 1.182 236 A CA 2.186 54.317 52.037 0.157 0.000 0.633 236 A CB -0.891 18.164 19.000 0.093 0.000 0.819 236 A HN 0.247 nan 8.150 nan 0.000 0.448 237 V N -0.535 119.407 119.914 0.047 0.000 2.488 237 V HA -0.133 3.898 4.120 -0.148 0.000 0.246 237 V C 3.011 179.090 176.094 -0.025 0.000 1.046 237 V CA 1.562 63.893 62.300 0.052 0.000 1.053 237 V CB -1.194 30.692 31.823 0.104 0.000 0.679 237 V HN 0.615 nan 8.190 nan 0.000 0.458 238 A N 0.136 122.938 122.820 -0.030 0.000 1.908 238 A HA -0.182 4.049 4.320 -0.148 0.000 0.218 238 A C 2.386 179.909 177.584 -0.101 0.000 1.181 238 A CA 2.317 54.318 52.037 -0.061 0.000 0.627 238 A CB -0.690 18.309 19.000 -0.001 0.000 0.818 238 A HN 0.345 nan 8.150 nan 0.000 0.445 239 V N -0.322 119.522 119.914 -0.117 0.000 2.379 239 V HA -0.188 3.843 4.120 -0.148 0.000 0.245 239 V C 2.457 178.437 176.094 -0.189 0.000 1.044 239 V CA 1.719 63.879 62.300 -0.233 0.000 1.036 239 V CB -0.813 30.664 31.823 -0.577 0.000 0.664 239 V HN 0.602 nan 8.190 nan 0.000 0.453 240 L N 0.085 121.231 121.223 -0.129 0.000 2.013 240 L HA -0.187 4.065 4.340 -0.148 0.000 0.212 240 L C 2.198 179.033 176.870 -0.058 0.000 1.073 240 L CA 1.988 56.794 54.840 -0.057 0.000 0.753 240 L CB -0.693 41.386 42.059 0.032 0.000 0.890 240 L HN 0.216 nan 8.230 nan 0.000 0.432 241 L N -1.434 119.695 121.223 -0.157 0.000 2.083 241 L HA -0.233 4.018 4.340 -0.148 0.000 0.209 241 L C 2.528 179.290 176.870 -0.180 0.000 1.083 241 L CA 1.228 55.849 54.840 -0.365 0.000 0.752 241 L CB -0.497 40.968 42.059 -0.989 0.000 0.899 241 L HN 0.335 nan 8.230 nan 0.000 0.433 242 L N -1.331 119.843 121.223 -0.082 0.000 2.044 242 L HA -0.163 4.088 4.340 -0.148 0.000 0.205 242 L C 2.517 179.448 176.870 0.103 0.000 1.075 242 L CA 0.686 55.590 54.840 0.106 0.000 0.747 242 L CB -0.449 41.651 42.059 0.068 0.000 0.903 242 L HN -0.015 nan 8.230 nan 0.000 0.435 243 V N 0.005 119.930 119.914 0.018 0.000 2.469 243 V HA -0.260 3.771 4.120 -0.148 0.000 0.251 243 V C 2.349 178.456 176.094 0.022 0.000 1.064 243 V CA 2.306 64.613 62.300 0.012 0.000 1.066 243 V CB -0.673 31.128 31.823 -0.037 0.000 0.667 243 V HN 0.696 nan 8.190 nan 0.000 0.461 244 T N -3.645 110.921 114.554 0.020 0.000 3.163 244 T HA 0.101 4.362 4.350 -0.148 0.000 0.252 244 T C 0.264 174.788 174.700 -0.294 0.000 1.056 244 T CA -0.027 62.018 62.100 -0.092 0.000 0.947 244 T CB -0.353 68.448 68.868 -0.113 0.000 1.016 244 T HN 0.595 nan 8.240 nan 0.000 0.554 245 H N 0.735 119.844 119.070 0.066 0.000 2.429 245 H HA 0.351 4.817 4.556 -0.149 0.000 0.231 245 H C -2.377 173.008 175.328 0.094 0.000 1.416 245 H CA -1.801 54.314 56.048 0.112 0.000 1.443 245 H CB 1.178 31.087 29.762 0.244 0.000 1.591 245 H HN 0.107 nan 8.280 nan 0.000 0.507 246 P HA -0.179 nan 4.420 nan 0.000 0.220 246 P C 1.342 178.696 177.300 0.089 0.000 1.148 246 P CA 1.228 64.384 63.100 0.093 0.000 0.803 246 P CB 0.483 32.219 31.700 0.059 0.000 0.782 247 D N 0.052 120.505 120.400 0.088 0.000 2.097 247 D HA -0.212 4.340 4.640 -0.148 0.000 0.197 247 D C 1.990 178.326 176.300 0.060 0.000 0.984 247 D CA 1.162 55.200 54.000 0.063 0.000 0.826 247 D CB -0.987 39.845 40.800 0.053 0.000 0.973 247 D HN 0.110 nan 8.370 nan 0.000 0.460 248 Q N -0.196 119.655 119.800 0.085 0.000 2.152 248 Q HA -0.135 4.116 4.340 -0.148 0.000 0.206 248 Q C 2.379 178.416 176.000 0.062 0.000 0.985 248 Q CA 1.625 57.455 55.803 0.045 0.000 0.863 248 Q CB -0.212 28.563 28.738 0.061 0.000 0.904 248 Q HN 0.389 nan 8.270 nan 0.000 0.422 249 M N -0.970 118.691 119.600 0.102 0.000 2.066 249 M HA -0.175 4.217 4.480 -0.148 0.000 0.259 249 M C 1.977 178.312 176.300 0.059 0.000 1.074 249 M CA 1.954 57.307 55.300 0.088 0.000 1.114 249 M CB -0.222 32.436 32.600 0.096 0.000 1.306 249 M HN 0.268 nan 8.290 nan 0.000 0.411 250 A N 0.001 122.854 122.820 0.054 0.000 2.024 250 A HA -0.171 4.060 4.320 -0.148 0.000 0.220 250 A C 1.977 179.577 177.584 0.026 0.000 1.164 250 A CA 1.473 53.534 52.037 0.040 0.000 0.643 250 A CB -1.016 18.008 19.000 0.040 0.000 0.806 250 A HN 0.608 nan 8.150 nan 0.000 0.451 251 L N -1.057 120.178 121.223 0.020 0.000 2.141 251 L HA -0.048 4.203 4.340 -0.148 0.000 0.209 251 L C 2.076 178.946 176.870 0.001 0.000 1.094 251 L CA 1.780 56.623 54.840 0.004 0.000 0.763 251 L CB -0.451 41.602 42.059 -0.011 0.000 0.908 251 L HN 0.365 nan 8.230 nan 0.000 0.437 252 L N -0.916 120.312 121.223 0.009 0.000 2.209 252 L HA 0.012 4.264 4.340 -0.148 0.000 0.207 252 L C 2.590 179.469 176.870 0.015 0.000 1.094 252 L CA 1.337 56.183 54.840 0.010 0.000 0.790 252 L CB -0.682 41.389 42.059 0.020 0.000 0.932 252 L HN 0.273 nan 8.230 nan 0.000 0.447 253 R N 0.333 120.846 120.500 0.021 0.000 2.148 253 R HA -0.168 4.084 4.340 -0.148 0.000 0.230 253 R C 0.357 176.664 176.300 0.011 0.000 1.120 253 R CA 1.655 57.766 56.100 0.019 0.000 0.902 253 R CB -0.403 29.912 30.300 0.026 0.000 0.839 253 R HN 0.434 nan 8.270 nan 0.000 0.431 254 E N 0.907 121.113 120.200 0.011 0.000 2.390 254 E HA 0.044 4.306 4.350 -0.148 0.000 0.261 254 E C -0.542 176.060 176.600 0.004 0.000 1.076 254 E CA -0.112 56.291 56.400 0.006 0.000 0.905 254 E CB 0.659 30.363 29.700 0.007 0.000 0.984 254 E HN 0.093 nan 8.360 nan 0.000 0.427 255 K N 0.753 121.154 120.400 0.002 0.000 3.585 255 K HA -0.123 4.108 4.320 -0.148 0.000 0.275 255 K C -2.344 174.256 176.600 0.001 0.000 1.026 255 K CA 0.113 56.400 56.287 -0.000 0.000 0.800 255 K CB -1.267 31.230 32.500 -0.004 0.000 1.401 255 K HN 0.419 nan 8.250 nan 0.000 0.453 256 P HA -0.206 nan 4.420 nan 0.000 0.219 256 P C 1.402 178.706 177.300 0.007 0.000 1.146 256 P CA 1.208 64.312 63.100 0.006 0.000 0.808 256 P CB 0.106 31.810 31.700 0.006 0.000 0.779 257 E N 0.479 120.681 120.200 0.004 0.000 2.463 257 E HA -0.146 4.116 4.350 -0.148 0.000 0.201 257 E C 1.330 177.932 176.600 0.004 0.000 1.045 257 E CA 0.779 57.182 56.400 0.005 0.000 0.872 257 E CB -1.054 28.648 29.700 0.003 0.000 0.797 257 E HN 0.318 nan 8.360 nan 0.000 0.538 258 L N 0.552 121.775 121.223 -0.001 0.000 2.610 258 L HA -0.002 4.249 4.340 -0.148 0.000 0.232 258 L C 2.139 179.010 176.870 0.001 0.000 1.149 258 L CA -0.243 54.593 54.840 -0.007 0.000 0.872 258 L CB -0.241 41.806 42.059 -0.020 0.000 0.992 258 L HN 0.094 nan 8.230 nan 0.000 0.447 259 I N 0.331 120.909 120.570 0.012 0.000 2.179 259 I HA -0.276 3.806 4.170 -0.148 0.000 0.242 259 I C 1.937 178.074 176.117 0.034 0.000 1.088 259 I CA 1.678 62.992 61.300 0.024 0.000 1.357 259 I CB -0.211 37.805 38.000 0.028 0.000 1.051 259 I HN 0.232 nan 8.210 nan 0.000 0.409 260 D N -0.456 119.964 120.400 0.034 0.000 2.097 260 D HA -0.193 4.358 4.640 -0.148 0.000 0.195 260 D C 2.387 178.716 176.300 0.047 0.000 0.989 260 D CA 1.656 55.684 54.000 0.047 0.000 0.827 260 D CB -0.538 40.288 40.800 0.042 0.000 0.966 260 D HN 0.339 nan 8.370 nan 0.000 0.456 261 S N -0.163 115.552 115.700 0.025 0.000 2.383 261 S HA -0.152 4.230 4.470 -0.148 0.000 0.229 261 S C 1.958 176.557 174.600 -0.003 0.000 1.030 261 S CA 1.542 59.747 58.200 0.009 0.000 1.002 261 S CB -0.140 63.051 63.200 -0.015 0.000 0.829 261 S HN 0.269 nan 8.310 nan 0.000 0.467 262 A N 0.129 122.947 122.820 -0.004 0.000 1.929 262 A HA 0.030 4.261 4.320 -0.148 0.000 0.216 262 A C 2.325 179.941 177.584 0.053 0.000 1.176 262 A CA 1.871 53.908 52.037 -0.001 0.000 0.628 262 A CB -1.366 17.640 19.000 0.010 0.000 0.816 262 A HN 0.548 nan 8.150 nan 0.000 0.444 263 T N 0.203 114.793 114.554 0.061 0.000 2.684 263 T HA -0.135 4.127 4.350 -0.148 0.000 0.267 263 T C 1.843 176.589 174.700 0.076 0.000 1.036 263 T CA 1.667 63.815 62.100 0.079 0.000 1.148 263 T CB -0.221 68.702 68.868 0.092 0.000 0.863 263 T HN 0.459 nan 8.240 nan 0.000 0.436 264 E N 0.777 121.031 120.200 0.090 0.000 2.072 264 E HA -0.101 4.161 4.350 -0.148 0.000 0.191 264 E C 2.250 178.846 176.600 -0.005 0.000 0.985 264 E CA 0.960 57.425 56.400 0.108 0.000 0.801 264 E CB -0.348 29.466 29.700 0.189 0.000 0.750 264 E HN 0.461 nan 8.360 nan 0.000 0.452 265 E N 0.827 121.044 120.200 0.027 0.000 2.106 265 E HA -0.127 4.135 4.350 -0.148 0.000 0.192 265 E C 2.129 178.811 176.600 0.137 0.000 0.984 265 E CA 1.267 57.694 56.400 0.044 0.000 0.806 265 E CB -0.155 29.519 29.700 -0.043 0.000 0.750 265 E HN 0.173 nan 8.360 nan 0.000 0.458 266 V N -1.050 118.954 119.914 0.150 0.000 2.515 266 V HA -0.141 3.890 4.120 -0.148 0.000 0.250 266 V C 2.226 178.304 176.094 -0.027 0.000 1.058 266 V CA 1.438 63.803 62.300 0.109 0.000 1.064 266 V CB -0.610 31.262 31.823 0.082 0.000 0.675 266 V HN 0.210 nan 8.190 nan 0.000 0.461 267 L N -0.131 121.010 121.223 -0.137 0.000 2.005 267 L HA -0.068 4.183 4.340 -0.148 0.000 0.207 267 L C 3.030 179.654 176.870 -0.411 0.000 1.072 267 L CA 2.284 56.924 54.840 -0.333 0.000 0.744 267 L CB -0.693 41.066 42.059 -0.501 0.000 0.895 267 L HN 0.274 nan 8.230 nan 0.000 0.433 268 R N -0.842 119.370 120.500 -0.479 0.000 2.080 268 R HA -0.236 4.015 4.340 -0.148 0.000 0.236 268 R C 2.499 178.740 176.300 -0.097 0.000 1.137 268 R CA 1.893 57.817 56.100 -0.292 0.000 0.943 268 R CB -0.479 29.750 30.300 -0.119 0.000 0.846 268 R HN 0.455 nan 8.270 nan 0.000 0.431 269 H N -0.413 118.598 119.070 -0.098 0.000 2.357 269 H HA -0.042 4.425 4.556 -0.148 0.000 0.301 269 H C 1.791 177.053 175.328 -0.111 0.000 1.082 269 H CA 1.495 57.506 56.048 -0.062 0.000 1.342 269 H CB 0.160 29.936 29.762 0.022 0.000 1.389 269 H HN 0.406 nan 8.280 nan 0.000 0.511 270 A N 0.918 123.707 122.820 -0.053 0.000 1.845 270 A HA -0.147 4.084 4.320 -0.148 0.000 0.215 270 A C 1.599 179.088 177.584 -0.158 0.000 1.195 270 A CA 1.877 53.866 52.037 -0.080 0.000 0.616 270 A CB -0.864 18.125 19.000 -0.018 0.000 0.832 270 A HN 0.641 nan 8.150 nan 0.000 0.443 271 S N -0.658 114.950 115.700 -0.153 0.000 3.477 271 S HA -0.241 4.140 4.470 -0.148 0.000 0.371 271 S C 0.649 175.197 174.600 -0.086 0.000 0.965 271 S CA 1.047 59.161 58.200 -0.143 0.000 1.239 271 S CB -2.718 60.398 63.200 -0.141 0.000 0.918 271 S HN 1.556 nan 8.310 nan 0.000 0.498 272 I N -2.763 117.788 120.570 -0.031 0.000 2.657 272 I HA 0.052 4.134 4.170 -0.148 0.000 0.261 272 I C 0.613 176.771 176.117 0.069 0.000 1.212 272 I CA 0.599 61.944 61.300 0.074 0.000 1.453 272 I CB -0.297 37.748 38.000 0.074 0.000 1.092 272 I HN 0.395 nan 8.210 nan 0.000 0.452 273 V N 2.474 122.400 119.914 0.020 0.000 2.294 273 V HA 0.203 4.234 4.120 -0.148 0.000 0.272 273 V C 0.846 176.966 176.094 0.043 0.000 1.027 273 V CA -0.290 62.037 62.300 0.045 0.000 0.823 273 V CB 0.796 32.644 31.823 0.042 0.000 1.030 273 V HN 0.258 nan 8.190 nan 0.000 0.457 274 E N 3.149 123.399 120.200 0.084 0.000 2.299 274 E HA 0.306 4.568 4.350 -0.148 0.000 0.193 274 E C 0.707 177.350 176.600 0.071 0.000 0.998 274 E CA 0.815 57.255 56.400 0.067 0.000 0.851 274 E CB 0.522 30.299 29.700 0.129 0.000 0.795 274 E HN 0.785 nan 8.360 nan 0.000 0.492 275 A N 1.440 124.345 122.820 0.141 0.000 2.547 275 A HA 0.494 4.725 4.320 -0.148 0.000 0.297 275 A C -2.678 174.966 177.584 0.101 0.000 1.056 275 A CA -1.311 50.795 52.037 0.115 0.000 0.688 275 A CB 1.189 20.284 19.000 0.158 0.000 1.282 275 A HN -0.136 nan 8.150 nan 0.000 0.400 276 P HA 0.582 nan 4.420 nan 0.000 0.297 276 P C 0.116 177.441 177.300 0.041 0.000 1.307 276 P CA -0.223 62.910 63.100 0.055 0.000 0.773 276 P CB 0.751 32.482 31.700 0.052 0.000 1.265 277 A N 1.088 123.911 122.820 0.006 0.000 2.565 277 A HA 0.218 4.449 4.320 -0.148 0.000 0.237 277 A C -1.783 175.812 177.584 0.019 0.000 1.053 277 A CA -0.567 51.468 52.037 -0.003 0.000 0.755 277 A CB -1.738 17.228 19.000 -0.058 0.000 0.980 277 A HN 0.410 nan 8.150 nan 0.000 0.506 278 P HA 0.083 nan 4.420 nan 0.000 0.265 278 P C -0.589 176.752 177.300 0.068 0.000 1.187 278 P CA 0.223 63.361 63.100 0.063 0.000 0.766 278 P CB 0.388 32.129 31.700 0.069 0.000 0.820 279 R N 1.577 122.135 120.500 0.096 0.000 2.474 279 R HA 0.474 4.725 4.340 -0.148 0.000 0.295 279 R C -0.431 175.995 176.300 0.210 0.000 0.980 279 R CA -1.021 55.166 56.100 0.145 0.000 0.934 279 R CB 1.159 31.546 30.300 0.145 0.000 1.101 279 R HN 0.333 nan 8.270 nan 0.000 0.469 280 V N -0.638 119.400 119.914 0.207 0.000 2.417 280 V HA 0.734 4.765 4.120 -0.148 0.000 0.291 280 V C 0.425 176.615 176.094 0.161 0.000 1.024 280 V CA -1.441 60.965 62.300 0.177 0.000 0.861 280 V CB 1.482 33.366 31.823 0.102 0.000 0.985 280 V HN 0.780 nan 8.190 nan 0.000 0.436 281 A N 4.350 127.252 122.820 0.137 0.000 2.488 281 A HA 0.607 4.838 4.320 -0.148 0.000 0.249 281 A C 0.732 178.245 177.584 -0.119 0.000 1.083 281 A CA -0.254 51.724 52.037 -0.098 0.000 0.768 281 A CB 0.194 19.190 19.000 -0.007 0.000 1.017 281 A HN 1.035 nan 8.150 nan 0.000 0.496 282 L N 1.442 122.526 121.223 -0.233 0.000 2.408 282 L HA 0.281 4.532 4.340 -0.148 0.000 0.215 282 L C 1.292 178.087 176.870 -0.126 0.000 1.081 282 L CA 0.909 55.670 54.840 -0.132 0.000 0.840 282 L CB -0.150 41.844 42.059 -0.110 0.000 1.002 282 L HN 0.773 nan 8.230 nan 0.000 0.468 283 A N -1.185 121.517 122.820 -0.198 0.000 2.437 283 A HA 0.534 4.766 4.320 -0.148 0.000 0.292 283 A C -1.339 176.181 177.584 -0.106 0.000 1.173 283 A CA -0.610 51.348 52.037 -0.131 0.000 0.785 283 A CB 0.823 19.740 19.000 -0.137 0.000 1.351 283 A HN -0.059 nan 8.150 nan 0.000 0.431 284 D N 0.111 120.488 120.400 -0.038 0.000 2.350 284 D HA 0.494 5.045 4.640 -0.148 0.000 0.249 284 D C -0.648 175.630 176.300 -0.037 0.000 1.119 284 D CA 0.581 54.584 54.000 0.005 0.000 0.886 284 D CB 1.278 42.117 40.800 0.065 0.000 1.195 284 D HN 0.239 nan 8.370 nan 0.000 0.437 285 V N 2.221 122.111 119.914 -0.040 0.000 2.808 285 V HA 0.409 4.440 4.120 -0.148 0.000 0.308 285 V C -0.147 175.910 176.094 -0.060 0.000 1.099 285 V CA -1.056 61.225 62.300 -0.031 0.000 0.920 285 V CB 2.266 34.114 31.823 0.042 0.000 1.014 285 V HN 0.368 nan 8.190 nan 0.000 0.425 286 R N 3.977 124.444 120.500 -0.054 0.000 2.346 286 R HA 0.832 5.083 4.340 -0.148 0.000 0.311 286 R C -0.837 175.408 176.300 -0.091 0.000 0.983 286 R CA -0.419 55.631 56.100 -0.083 0.000 0.880 286 R CB 1.143 31.409 30.300 -0.057 0.000 1.100 286 R HN 0.842 nan 8.270 nan 0.000 0.453 287 M N 3.973 123.486 119.600 -0.145 0.000 2.284 287 M HA 0.316 4.707 4.480 -0.148 0.000 0.281 287 M C -0.971 175.222 176.300 -0.177 0.000 1.083 287 M CA 0.039 55.248 55.300 -0.152 0.000 0.965 287 M CB 2.009 34.503 32.600 -0.177 0.000 1.717 287 M HN 0.889 nan 8.290 nan 0.000 0.479 288 A N 3.100 125.842 122.820 -0.131 0.000 2.687 288 A HA 0.021 4.252 4.320 -0.148 0.000 0.299 288 A C 1.161 178.679 177.584 -0.109 0.000 1.497 288 A CA 1.622 53.588 52.037 -0.119 0.000 0.751 288 A CB -2.602 16.314 19.000 -0.140 0.000 1.048 288 A HN 2.559 nan 8.150 nan 0.000 0.464 289 G N -2.061 106.686 108.800 -0.089 0.000 2.168 289 G HA2 -0.270 3.601 3.960 -0.148 0.000 0.263 289 G HA3 -0.270 3.601 3.960 -0.148 0.000 0.263 289 G C 0.096 174.955 174.900 -0.069 0.000 0.977 289 G CA 0.893 45.955 45.100 -0.063 0.000 0.659 289 G HN 1.363 nan 8.290 nan 0.000 0.533 290 R N 0.473 120.894 120.500 -0.132 0.000 2.670 290 R HA 0.430 4.681 4.340 -0.148 0.000 0.289 290 R C -1.281 174.884 176.300 -0.225 0.000 0.965 290 R CA -0.835 55.166 56.100 -0.165 0.000 0.899 290 R CB 1.395 31.513 30.300 -0.303 0.000 1.173 290 R HN 0.206 nan 8.270 nan 0.000 0.456 291 D N 3.373 123.671 120.400 -0.170 0.000 2.317 291 D HA 0.294 4.845 4.640 -0.148 0.000 0.234 291 D C 0.140 176.222 176.300 -0.364 0.000 1.112 291 D CA -0.170 53.698 54.000 -0.220 0.000 0.840 291 D CB 1.617 42.330 40.800 -0.145 0.000 1.078 291 D HN 0.296 nan 8.370 nan 0.000 0.486 292 I N 2.526 122.889 120.570 -0.346 0.000 2.315 292 I HA 0.133 4.214 4.170 -0.148 0.000 0.291 292 I C 0.533 176.570 176.117 -0.134 0.000 1.006 292 I CA -0.436 60.704 61.300 -0.267 0.000 1.265 292 I CB 0.654 38.501 38.000 -0.255 0.000 1.387 292 I HN 0.217 nan 8.210 nan 0.000 0.475 293 H N 3.547 122.720 119.070 0.172 0.000 2.488 293 H HA 0.364 4.831 4.556 -0.148 0.000 0.347 293 H C 1.093 176.475 175.328 0.090 0.000 1.174 293 H CA -0.375 55.740 56.048 0.113 0.000 1.307 293 H CB 1.426 31.262 29.762 0.123 0.000 1.517 293 H HN 0.741 nan 8.280 nan 0.000 0.554 294 A N 1.901 124.829 122.820 0.180 0.000 1.958 294 A HA -0.231 4.000 4.320 -0.148 0.000 0.221 294 A C 2.440 180.078 177.584 0.090 0.000 1.178 294 A CA 2.106 54.190 52.037 0.078 0.000 0.642 294 A CB -1.388 17.637 19.000 0.041 0.000 0.816 294 A HN 0.907 nan 8.150 nan 0.000 0.453 295 G N -0.386 108.487 108.800 0.122 0.000 2.448 295 G HA2 0.009 3.880 3.960 -0.148 0.000 0.218 295 G HA3 0.009 3.880 3.960 -0.148 0.000 0.218 295 G C 0.044 175.029 174.900 0.142 0.000 1.135 295 G CA 0.546 45.711 45.100 0.108 0.000 0.784 295 G HN 0.500 nan 8.290 nan 0.000 0.543 296 D N 0.358 120.887 120.400 0.215 0.000 2.443 296 D HA 0.291 4.843 4.640 -0.148 0.000 0.239 296 D C 0.517 176.986 176.300 0.281 0.000 1.136 296 D CA 0.004 54.178 54.000 0.290 0.000 0.879 296 D CB 1.758 42.868 40.800 0.518 0.000 1.195 296 D HN 0.162 nan 8.370 nan 0.000 0.443 297 V N -0.243 119.818 119.914 0.245 0.000 2.370 297 V HA 0.530 4.562 4.120 -0.148 0.000 0.283 297 V C -0.568 175.673 176.094 0.244 0.000 1.023 297 V CA -0.993 61.430 62.300 0.205 0.000 0.857 297 V CB 0.772 32.668 31.823 0.122 0.000 0.985 297 V HN 0.214 nan 8.190 nan 0.000 0.443 298 L N 4.211 125.571 121.223 0.229 0.000 2.307 298 L HA 0.647 4.898 4.340 -0.148 0.000 0.284 298 L C 0.618 177.569 176.870 0.135 0.000 1.023 298 L CA 0.024 54.988 54.840 0.206 0.000 0.810 298 L CB 1.837 43.963 42.059 0.112 0.000 1.231 298 L HN 0.725 nan 8.230 nan 0.000 0.423 299 T N 1.622 116.263 114.554 0.145 0.000 2.743 299 T HA 0.285 4.546 4.350 -0.148 0.000 0.292 299 T C -0.259 174.495 174.700 0.090 0.000 0.972 299 T CA -0.350 61.817 62.100 0.111 0.000 0.967 299 T CB 0.372 69.314 68.868 0.122 0.000 0.926 299 T HN 0.520 nan 8.240 nan 0.000 0.459 300 C N 3.211 122.544 119.300 0.055 0.000 2.499 300 C HA 0.469 4.840 4.460 -0.148 0.000 0.386 300 C C 1.301 176.319 174.990 0.047 0.000 1.293 300 C CA -0.571 58.470 59.018 0.037 0.000 1.884 300 C CB -0.200 27.547 27.740 0.012 0.000 2.509 300 C HN 0.856 nan 8.230 nan 0.000 0.566 301 S N 4.516 120.254 115.700 0.064 0.000 2.404 301 S HA 0.237 4.619 4.470 -0.148 0.000 0.309 301 S C 1.215 175.854 174.600 0.064 0.000 1.076 301 S CA -0.703 57.540 58.200 0.072 0.000 1.095 301 S CB 0.143 63.465 63.200 0.202 0.000 0.972 301 S HN 0.645 nan 8.310 nan 0.000 0.484 302 M N 4.205 123.828 119.600 0.039 0.000 2.296 302 M HA -0.023 4.368 4.480 -0.148 0.000 0.265 302 M C 1.621 177.936 176.300 0.024 0.000 1.064 302 M CA 0.912 56.233 55.300 0.036 0.000 1.109 302 M CB -1.180 31.435 32.600 0.026 0.000 1.396 302 M HN 0.591 nan 8.290 nan 0.000 0.430 303 L N 0.807 122.045 121.223 0.025 0.000 2.109 303 L HA 0.030 4.281 4.340 -0.148 0.000 0.207 303 L C 2.587 179.505 176.870 0.080 0.000 1.086 303 L CA 1.687 56.544 54.840 0.027 0.000 0.760 303 L CB -0.929 41.140 42.059 0.017 0.000 0.910 303 L HN 0.236 nan 8.230 nan 0.000 0.437 304 A N -1.397 121.503 122.820 0.134 0.000 1.930 304 A HA -0.192 4.040 4.320 -0.148 0.000 0.217 304 A C 2.309 179.880 177.584 -0.020 0.000 1.175 304 A CA 2.165 54.192 52.037 -0.016 0.000 0.627 304 A CB -1.074 17.903 19.000 -0.040 0.000 0.815 304 A HN 0.564 nan 8.150 nan 0.000 0.443 305 T N -2.349 112.222 114.554 0.029 0.000 2.937 305 T HA -0.049 4.212 4.350 -0.148 0.000 0.260 305 T C 1.452 176.178 174.700 0.043 0.000 1.051 305 T CA 1.189 63.325 62.100 0.059 0.000 1.141 305 T CB -0.366 68.566 68.868 0.106 0.000 0.879 305 T HN 0.369 nan 8.240 nan 0.000 0.459 306 N N 1.077 119.793 118.700 0.027 0.000 2.424 306 N HA 0.121 4.772 4.740 -0.148 0.000 0.178 306 N C 0.414 175.913 175.510 -0.018 0.000 1.060 306 N CA 0.401 53.462 53.050 0.018 0.000 0.901 306 N CB 0.124 38.610 38.487 -0.001 0.000 0.979 306 N HN 0.355 nan 8.380 nan 0.000 0.451 307 R N 0.183 120.657 120.500 -0.042 0.000 2.803 307 R HA 0.785 5.036 4.340 -0.148 0.000 0.276 307 R C -0.741 175.522 176.300 -0.062 0.000 0.978 307 R CA -0.777 55.285 56.100 -0.063 0.000 0.939 307 R CB 1.961 32.195 30.300 -0.110 0.000 1.179 307 R HN -0.032 nan 8.270 nan 0.000 0.472 308 A N 2.013 124.802 122.820 -0.052 0.000 2.556 308 A HA 0.709 4.940 4.320 -0.148 0.000 0.294 308 A C -2.722 174.836 177.584 -0.044 0.000 1.091 308 A CA -1.700 50.303 52.037 -0.058 0.000 0.704 308 A CB 1.878 20.849 19.000 -0.048 0.000 1.300 308 A HN 0.361 nan 8.150 nan 0.000 0.406 309 P HA 0.405 nan 4.420 nan 0.000 0.271 309 P C 0.866 178.156 177.300 -0.015 0.000 1.233 309 P CA 1.613 64.693 63.100 -0.034 0.000 0.764 309 P CB 0.847 32.522 31.700 -0.043 0.000 0.825 310 G N 2.358 111.160 108.800 0.003 0.000 2.201 310 G HA2 -0.178 3.694 3.960 -0.148 0.000 0.212 310 G HA3 -0.178 3.694 3.960 -0.148 0.000 0.212 310 G C -0.166 174.754 174.900 0.034 0.000 0.994 310 G CA -0.562 44.547 45.100 0.015 0.000 0.644 310 G HN 0.473 nan 8.290 nan 0.000 0.508 311 D N 1.160 121.588 120.400 0.048 0.000 2.648 311 D HA 0.289 4.840 4.640 -0.148 0.000 0.229 311 D C 0.994 177.365 176.300 0.118 0.000 1.119 311 D CA 0.813 54.868 54.000 0.091 0.000 0.850 311 D CB 0.318 41.203 40.800 0.143 0.000 1.169 311 D HN 0.514 nan 8.370 nan 0.000 0.489 312 R N 1.409 121.949 120.500 0.066 0.000 2.562 312 R HA 0.288 4.539 4.340 -0.148 0.000 0.298 312 R C -0.330 175.924 176.300 -0.076 0.000 0.961 312 R CA -1.027 55.093 56.100 0.032 0.000 0.881 312 R CB 1.263 31.571 30.300 0.014 0.000 1.159 312 R HN 0.307 nan 8.270 nan 0.000 0.450 313 F N 3.339 123.043 119.950 -0.411 0.000 2.518 313 F HA 0.017 4.457 4.527 -0.146 0.000 0.375 313 F C -0.319 175.244 175.800 -0.396 0.000 1.097 313 F CA 0.089 57.698 58.000 -0.651 0.000 1.108 313 F CB 0.077 38.441 39.000 -1.059 0.000 1.078 313 F HN 0.347 nan 8.300 nan 0.000 0.564 314 D N 6.848 126.844 120.400 -0.674 0.000 2.358 314 D HA 0.124 4.675 4.640 -0.148 0.000 0.253 314 D C 0.929 176.917 176.300 -0.520 0.000 1.288 314 D CA -0.334 53.353 54.000 -0.522 0.000 0.950 314 D CB 0.391 41.042 40.800 -0.249 0.000 1.197 314 D HN 0.582 nan 8.370 nan 0.000 0.550 315 I N 0.636 120.813 120.570 -0.656 0.000 3.083 315 I HA -0.019 4.062 4.170 -0.148 0.000 0.273 315 I C 1.193 177.180 176.117 -0.217 0.000 1.297 315 I CA 0.918 61.967 61.300 -0.418 0.000 1.452 315 I CB -0.322 37.453 38.000 -0.374 0.000 1.078 315 I HN 0.212 nan 8.210 nan 0.000 0.484 316 T N -1.567 112.869 114.554 -0.196 0.000 3.206 316 T HA 0.198 4.459 4.350 -0.148 0.000 0.253 316 T C 0.823 175.469 174.700 -0.091 0.000 1.042 316 T CA -0.497 61.533 62.100 -0.117 0.000 0.931 316 T CB -0.321 68.487 68.868 -0.099 0.000 1.029 316 T HN 0.384 nan 8.240 nan 0.000 0.564 317 R N 1.293 121.732 120.500 -0.101 0.000 2.489 317 R HA 0.106 4.357 4.340 -0.148 0.000 0.287 317 R C 0.799 177.078 176.300 -0.035 0.000 1.053 317 R CA -0.145 55.916 56.100 -0.064 0.000 1.036 317 R CB 0.513 30.777 30.300 -0.060 0.000 0.966 317 R HN 0.233 nan 8.270 nan 0.000 0.432 318 E N 3.620 123.805 120.200 -0.025 0.000 2.057 318 E HA -0.054 4.207 4.350 -0.148 0.000 0.190 318 E C 0.035 176.634 176.600 -0.001 0.000 0.969 318 E CA 1.111 57.504 56.400 -0.013 0.000 0.812 318 E CB 0.178 29.868 29.700 -0.016 0.000 0.777 318 E HN 0.477 nan 8.360 nan 0.000 0.455 319 K N 1.697 122.094 120.400 -0.005 0.000 2.765 319 K HA 0.361 4.592 4.320 -0.148 0.000 0.246 319 K C -0.572 176.034 176.600 0.009 0.000 1.254 319 K CA -0.301 55.984 56.287 -0.003 0.000 1.219 319 K CB 0.860 33.349 32.500 -0.018 0.000 1.747 319 K HN -0.017 nan 8.250 nan 0.000 0.372 320 A N 1.275 124.119 122.820 0.041 0.000 2.505 320 A HA 0.006 4.237 4.320 -0.148 0.000 0.271 320 A C 0.782 178.387 177.584 0.035 0.000 1.112 320 A CA 0.334 52.431 52.037 0.100 0.000 0.781 320 A CB -0.004 19.122 19.000 0.210 0.000 1.059 320 A HN 0.400 nan 8.150 nan 0.000 0.508 321 T N 2.875 117.439 114.554 0.017 0.000 3.308 321 T HA 0.298 4.560 4.350 -0.148 0.000 0.270 321 T C 0.371 175.079 174.700 0.014 0.000 0.992 321 T CA -0.392 61.694 62.100 -0.023 0.000 0.931 321 T CB -1.095 67.736 68.868 -0.062 0.000 1.142 321 T HN 0.912 nan 8.240 nan 0.000 0.525 322 H N 0.021 119.120 119.070 0.049 0.000 2.607 322 H HA 0.591 5.058 4.556 -0.147 0.000 0.367 322 H C -0.127 175.253 175.328 0.088 0.000 1.181 322 H CA -0.784 55.294 56.048 0.049 0.000 1.402 322 H CB 0.499 30.269 29.762 0.013 0.000 1.474 322 H HN 0.182 nan 8.280 nan 0.000 0.596 323 M N 2.992 122.724 119.600 0.221 0.000 2.488 323 M HA 0.366 4.758 4.480 -0.148 0.000 0.204 323 M C 0.387 176.814 176.300 0.211 0.000 0.969 323 M CA -0.416 55.004 55.300 0.200 0.000 0.720 323 M CB 1.546 34.225 32.600 0.133 0.000 1.427 323 M HN 0.910 nan 8.290 nan 0.000 0.427 324 A N 0.440 123.435 122.820 0.291 0.000 1.970 324 A HA 0.078 4.309 4.320 -0.148 0.000 0.216 324 A C 1.131 178.636 177.584 -0.131 0.000 1.170 324 A CA 1.176 53.178 52.037 -0.058 0.000 0.645 324 A CB -0.132 18.640 19.000 -0.381 0.000 0.816 324 A HN 0.626 nan 8.150 nan 0.000 0.447 325 F N 0.061 120.111 119.950 0.167 0.000 2.732 325 F HA 0.403 4.840 4.527 -0.150 0.000 0.303 325 F C 1.694 177.515 175.800 0.034 0.000 1.110 325 F CA 0.088 58.096 58.000 0.013 0.000 1.355 325 F CB -0.599 38.327 39.000 -0.124 0.000 1.081 325 F HN 0.427 nan 8.300 nan 0.000 0.565 326 G N 0.028 108.995 108.800 0.279 0.000 2.562 326 G HA2 -0.244 3.628 3.960 -0.148 0.000 0.250 326 G HA3 -0.244 3.628 3.960 -0.148 0.000 0.250 326 G C -0.749 174.411 174.900 0.432 0.000 1.269 326 G CA -0.108 45.158 45.100 0.276 0.000 0.919 326 G HN 0.535 nan 8.290 nan 0.000 0.574 327 H N -0.355 118.859 119.070 0.240 0.000 3.094 327 H HA 0.529 4.996 4.556 -0.148 0.000 0.346 327 H C 0.587 176.016 175.328 0.169 0.000 1.238 327 H CA 0.894 57.055 56.048 0.189 0.000 1.209 327 H CB 1.277 31.094 29.762 0.090 0.000 1.911 327 H HN 2.646 nan 8.280 nan 0.000 0.540 328 G N 2.263 110.835 108.800 -0.381 0.000 2.499 328 G HA2 -0.265 3.607 3.960 -0.148 0.000 0.232 328 G HA3 -0.265 3.607 3.960 -0.148 0.000 0.232 328 G C 1.112 175.992 174.900 -0.032 0.000 1.251 328 G CA 0.257 45.259 45.100 -0.163 0.000 0.917 328 G HN 0.790 nan 8.290 nan 0.000 0.580 329 I N -2.480 118.084 120.570 -0.011 0.000 2.676 329 I HA 0.121 4.202 4.170 -0.148 0.000 0.259 329 I C 1.932 178.013 176.117 -0.060 0.000 1.194 329 I CA 1.844 63.095 61.300 -0.081 0.000 1.473 329 I CB -0.303 37.546 38.000 -0.251 0.000 1.096 329 I HN 0.473 nan 8.210 nan 0.000 0.443 330 H N 0.332 119.442 119.070 0.067 0.000 2.551 330 H HA 0.073 4.541 4.556 -0.148 0.000 0.266 330 H C 0.198 175.589 175.328 0.106 0.000 0.964 330 H CA 0.115 56.203 56.048 0.067 0.000 1.180 330 H CB -0.435 29.321 29.762 -0.010 0.000 1.408 330 H HN 0.499 nan 8.280 nan 0.000 0.563 331 H N 1.157 120.293 119.070 0.111 0.000 3.219 331 H HA -0.132 4.336 4.556 -0.147 0.000 0.283 331 H C 0.255 175.608 175.328 0.042 0.000 0.894 331 H CA -0.154 55.944 56.048 0.084 0.000 1.406 331 H CB 0.025 29.798 29.762 0.019 0.000 1.349 331 H HN 0.266 nan 8.280 nan 0.000 0.550 332 C N 6.696 125.789 119.300 -0.345 0.000 1.912 332 C HA -0.119 4.252 4.460 -0.148 0.000 0.414 332 C C 2.128 176.870 174.990 -0.412 0.000 1.545 332 C CA 0.557 59.390 59.018 -0.308 0.000 1.468 332 C CB -2.239 25.374 27.740 -0.212 0.000 2.697 332 C HN 0.990 nan 8.230 nan 0.000 0.597 333 I N 4.626 125.007 120.570 -0.314 0.000 3.111 333 I HA 0.096 4.177 4.170 -0.148 0.000 0.272 333 I C 1.943 177.558 176.117 -0.837 0.000 1.268 333 I CA 1.524 62.546 61.300 -0.463 0.000 1.467 333 I CB -0.045 37.714 38.000 -0.403 0.000 1.087 333 I HN 0.918 nan 8.210 nan 0.000 0.467 334 G N -0.644 107.784 108.800 -0.621 0.000 3.126 334 G HA2 0.101 3.972 3.960 -0.148 0.000 0.224 334 G HA3 0.101 3.972 3.960 -0.148 0.000 0.224 334 G C 1.613 176.305 174.900 -0.347 0.000 1.142 334 G CA 0.476 45.290 45.100 -0.476 0.000 0.759 334 G HN 0.423 nan 8.290 nan 0.000 0.550 335 A N 2.221 124.687 122.820 -0.590 0.000 1.915 335 A HA -0.086 4.145 4.320 -0.148 0.000 0.220 335 A C 0.624 177.967 177.584 -0.401 0.000 1.198 335 A CA 2.078 53.561 52.037 -0.922 0.000 0.647 335 A CB -1.190 16.913 19.000 -1.495 0.000 0.825 335 A HN 0.357 nan 8.150 nan 0.000 0.456 336 P HA -0.113 nan 4.420 nan 0.000 0.218 336 P C 1.570 178.851 177.300 -0.033 0.000 1.148 336 P CA 0.840 63.898 63.100 -0.070 0.000 0.822 336 P CB -0.042 31.662 31.700 0.007 0.000 0.784 337 L N -0.465 120.735 121.223 -0.039 0.000 2.044 337 L HA 0.024 4.275 4.340 -0.148 0.000 0.205 337 L C 2.271 179.120 176.870 -0.035 0.000 1.075 337 L CA 1.776 56.575 54.840 -0.068 0.000 0.747 337 L CB -1.521 40.438 42.059 -0.167 0.000 0.903 337 L HN -0.136 nan 8.230 nan 0.000 0.435 338 A N -0.121 122.691 122.820 -0.015 0.000 1.873 338 A HA -0.277 3.955 4.320 -0.148 0.000 0.218 338 A C 2.436 180.083 177.584 0.105 0.000 1.193 338 A CA 2.188 54.270 52.037 0.075 0.000 0.629 338 A CB -0.671 18.450 19.000 0.202 0.000 0.826 338 A HN 0.496 nan 8.150 nan 0.000 0.447 339 R N -1.356 119.209 120.500 0.108 0.000 2.096 339 R HA -0.116 4.135 4.340 -0.148 0.000 0.235 339 R C 2.104 178.447 176.300 0.071 0.000 1.127 339 R CA 1.356 57.528 56.100 0.119 0.000 0.968 339 R CB -0.553 29.816 30.300 0.116 0.000 0.861 339 R HN 0.485 nan 8.270 nan 0.000 0.440 340 L N 1.524 122.772 121.223 0.040 0.000 2.046 340 L HA -0.199 4.052 4.340 -0.148 0.000 0.208 340 L C 2.049 178.938 176.870 0.031 0.000 1.077 340 L CA 1.773 56.631 54.840 0.030 0.000 0.747 340 L CB -0.468 41.599 42.059 0.012 0.000 0.896 340 L HN 0.161 nan 8.230 nan 0.000 0.432 341 Q N -0.868 118.950 119.800 0.030 0.000 2.016 341 Q HA -0.189 4.063 4.340 -0.148 0.000 0.200 341 Q C 2.294 178.320 176.000 0.043 0.000 0.978 341 Q CA 1.929 57.750 55.803 0.030 0.000 0.833 341 Q CB -0.311 28.440 28.738 0.023 0.000 0.895 341 Q HN 0.509 nan 8.270 nan 0.000 0.427 342 L N 0.268 121.524 121.223 0.055 0.000 2.013 342 L HA -0.251 4.000 4.340 -0.148 0.000 0.212 342 L C 2.515 179.418 176.870 0.056 0.000 1.073 342 L CA 1.449 56.325 54.840 0.060 0.000 0.753 342 L CB -0.446 41.657 42.059 0.074 0.000 0.890 342 L HN 0.176 nan 8.230 nan 0.000 0.432 343 R N -0.780 119.752 120.500 0.054 0.000 2.152 343 R HA -0.101 4.150 4.340 -0.148 0.000 0.232 343 R C 2.140 178.462 176.300 0.038 0.000 1.117 343 R CA 0.988 57.116 56.100 0.046 0.000 0.981 343 R CB -0.226 30.102 30.300 0.046 0.000 0.870 343 R HN 0.228 nan 8.270 nan 0.000 0.451 344 V N -0.036 119.900 119.914 0.036 0.000 2.446 344 V HA -0.047 3.984 4.120 -0.148 0.000 0.244 344 V C 2.184 178.299 176.094 0.035 0.000 1.039 344 V CA 1.732 64.050 62.300 0.031 0.000 1.045 344 V CB -0.179 31.661 31.823 0.028 0.000 0.681 344 V HN 0.346 nan 8.190 nan 0.000 0.459 345 A N 0.096 122.942 122.820 0.043 0.000 1.874 345 A HA 0.003 4.234 4.320 -0.148 0.000 0.214 345 A C 2.156 179.776 177.584 0.060 0.000 1.189 345 A CA 1.192 53.261 52.037 0.053 0.000 0.615 345 A CB -0.474 18.562 19.000 0.060 0.000 0.830 345 A HN 0.443 nan 8.150 nan 0.000 0.443 346 L N -0.372 120.885 121.223 0.057 0.000 2.042 346 L HA -0.123 4.128 4.340 -0.148 0.000 0.210 346 L C -0.534 176.363 176.870 0.045 0.000 1.076 346 L CA 1.450 56.322 54.840 0.053 0.000 0.749 346 L CB -1.733 40.359 42.059 0.054 0.000 0.893 346 L HN 0.238 nan 8.230 nan 0.000 0.432 347 P HA -0.146 nan 4.420 nan 0.000 0.217 347 P C 1.490 178.802 177.300 0.019 0.000 1.150 347 P CA 1.697 64.813 63.100 0.026 0.000 0.832 347 P CB 0.027 31.739 31.700 0.020 0.000 0.787 348 A N -0.227 122.607 122.820 0.023 0.000 1.873 348 A HA -0.139 4.092 4.320 -0.148 0.000 0.215 348 A C 2.294 179.887 177.584 0.015 0.000 1.186 348 A CA 2.151 54.194 52.037 0.010 0.000 0.616 348 A CB -1.855 17.157 19.000 0.020 0.000 0.823 348 A HN 0.150 nan 8.150 nan 0.000 0.442 349 V N -1.950 118.009 119.914 0.076 0.000 2.295 349 V HA -0.195 3.837 4.120 -0.148 0.000 0.246 349 V C 2.200 178.385 176.094 0.153 0.000 1.049 349 V CA 2.243 64.645 62.300 0.171 0.000 1.024 349 V CB -1.550 30.358 31.823 0.143 0.000 0.648 349 V HN 0.205 nan 8.190 nan 0.000 0.447 350 V N 1.881 121.844 119.914 0.081 0.000 2.295 350 V HA -0.069 3.962 4.120 -0.148 0.000 0.246 350 V C 2.903 179.013 176.094 0.027 0.000 1.049 350 V CA 2.260 64.601 62.300 0.068 0.000 1.024 350 V CB -1.620 30.234 31.823 0.051 0.000 0.648 350 V HN 0.661 nan 8.190 nan 0.000 0.447 351 G N -0.945 107.849 108.800 -0.010 0.000 2.559 351 G HA2 -0.145 3.726 3.960 -0.148 0.000 0.216 351 G HA3 -0.145 3.726 3.960 -0.148 0.000 0.216 351 G C 1.743 176.568 174.900 -0.126 0.000 1.126 351 G CA 0.289 45.361 45.100 -0.047 0.000 0.778 351 G HN 0.446 nan 8.290 nan 0.000 0.543 352 R N -1.301 119.062 120.500 -0.228 0.000 2.167 352 R HA 0.227 4.479 4.340 -0.148 0.000 0.201 352 R C -0.190 175.645 176.300 -0.776 0.000 1.024 352 R CA 0.105 55.870 56.100 -0.558 0.000 1.053 352 R CB 0.326 30.146 30.300 -0.800 0.000 0.987 352 R HN 0.338 nan 8.270 nan 0.000 0.493 353 F N 0.883 120.798 119.950 -0.058 0.000 2.449 353 F HA 0.357 4.796 4.527 -0.147 0.000 0.344 353 F C -1.895 173.931 175.800 0.043 0.000 1.180 353 F CA -2.362 55.623 58.000 -0.026 0.000 1.209 353 F CB 1.534 40.491 39.000 -0.071 0.000 1.440 353 F HN -0.183 nan 8.300 nan 0.000 0.526 354 P HA -0.156 nan 4.420 nan 0.000 0.218 354 P C 1.174 178.563 177.300 0.149 0.000 1.148 354 P CA 1.300 64.471 63.100 0.118 0.000 0.822 354 P CB 0.179 31.926 31.700 0.078 0.000 0.784 355 S N -1.641 114.183 115.700 0.206 0.000 2.573 355 S HA 0.190 4.571 4.470 -0.148 0.000 0.244 355 S C 0.359 175.107 174.600 0.246 0.000 0.984 355 S CA -0.646 57.671 58.200 0.196 0.000 1.001 355 S CB -1.173 62.136 63.200 0.181 0.000 0.788 355 S HN -0.102 nan 8.310 nan 0.000 0.456 356 L N 2.872 124.258 121.223 0.272 0.000 2.601 356 L HA 0.305 4.557 4.340 -0.148 0.000 0.277 356 L C 0.290 177.251 176.870 0.152 0.000 1.219 356 L CA 0.976 55.966 54.840 0.250 0.000 0.915 356 L CB -0.103 42.060 42.059 0.173 0.000 1.160 356 L HN 0.416 nan 8.230 nan 0.000 0.494 357 R N 3.727 124.317 120.500 0.149 0.000 2.651 357 R HA 0.417 4.668 4.340 -0.148 0.000 0.278 357 R C -1.439 174.898 176.300 0.062 0.000 1.010 357 R CA -1.211 54.939 56.100 0.084 0.000 0.896 357 R CB 1.448 31.791 30.300 0.072 0.000 1.211 357 R HN 0.472 nan 8.270 nan 0.000 0.456 358 L N 2.528 123.771 121.223 0.033 0.000 2.540 358 L HA 0.078 4.329 4.340 -0.148 0.000 0.276 358 L C 0.828 177.706 176.870 0.014 0.000 1.212 358 L CA 0.974 55.828 54.840 0.022 0.000 0.893 358 L CB 1.162 43.228 42.059 0.011 0.000 1.138 358 L HN 0.909 nan 8.230 nan 0.000 0.491 359 A N 4.507 127.334 122.820 0.010 0.000 2.220 359 A HA 0.371 4.602 4.320 -0.148 0.000 0.211 359 A C 0.285 177.859 177.584 -0.015 0.000 1.176 359 A CA 0.654 52.682 52.037 -0.014 0.000 0.834 359 A CB -0.028 18.954 19.000 -0.029 0.000 0.868 359 A HN 0.596 nan 8.150 nan 0.000 0.488 360 V N -4.378 115.532 119.914 -0.007 0.000 3.074 360 V HA 0.677 4.708 4.120 -0.148 0.000 0.314 360 V C -3.269 172.822 176.094 -0.005 0.000 1.117 360 V CA -2.882 59.412 62.300 -0.009 0.000 1.014 360 V CB 1.088 32.904 31.823 -0.012 0.000 1.057 360 V HN 0.006 nan 8.190 nan 0.000 0.438 361 P HA 0.226 nan 4.420 nan 0.000 0.269 361 P C 0.684 177.988 177.300 0.007 0.000 1.209 361 P CA 0.069 63.170 63.100 0.002 0.000 0.776 361 P CB 0.515 32.216 31.700 0.002 0.000 0.876 362 E N 0.995 121.206 120.200 0.019 0.000 2.171 362 E HA -0.258 4.003 4.350 -0.148 0.000 0.197 362 E C 1.056 177.687 176.600 0.052 0.000 0.997 362 E CA 1.387 57.812 56.400 0.041 0.000 0.810 362 E CB 0.063 29.796 29.700 0.055 0.000 0.738 362 E HN 0.509 nan 8.360 nan 0.000 0.467 363 E N 0.478 120.703 120.200 0.041 0.000 2.268 363 E HA -0.130 4.131 4.350 -0.148 0.000 0.195 363 E C 1.072 177.684 176.600 0.021 0.000 0.995 363 E CA 0.799 57.227 56.400 0.047 0.000 0.836 363 E CB 0.059 29.781 29.700 0.036 0.000 0.763 363 E HN 0.211 nan 8.360 nan 0.000 0.491 364 D N -0.175 120.222 120.400 -0.005 0.000 2.355 364 D HA 0.009 4.560 4.640 -0.148 0.000 0.218 364 D C 0.130 176.382 176.300 -0.079 0.000 1.004 364 D CA 0.207 54.189 54.000 -0.030 0.000 0.880 364 D CB 0.075 40.860 40.800 -0.025 0.000 0.911 364 D HN 0.190 nan 8.370 nan 0.000 0.528 365 L N 1.111 122.261 121.223 -0.121 0.000 2.416 365 L HA 0.230 4.481 4.340 -0.148 0.000 0.272 365 L C 0.669 177.260 176.870 -0.465 0.000 1.161 365 L CA 0.028 54.682 54.840 -0.310 0.000 0.845 365 L CB 0.671 42.501 42.059 -0.382 0.000 1.119 365 L HN -0.333 nan 8.230 nan 0.000 0.464 366 R N 2.833 123.028 120.500 -0.507 0.000 2.514 366 R HA 0.576 4.827 4.340 -0.148 0.000 0.301 366 R C -1.378 174.551 176.300 -0.619 0.000 0.962 366 R CA -0.505 55.346 56.100 -0.415 0.000 0.882 366 R CB 1.530 31.721 30.300 -0.181 0.000 1.143 366 R HN 0.262 nan 8.270 nan 0.000 0.452 367 F N 1.263 121.170 119.950 -0.073 0.000 2.482 367 F HA 0.395 4.835 4.527 -0.146 0.000 0.331 367 F C 0.492 176.172 175.800 -0.199 0.000 1.115 367 F CA -0.968 56.910 58.000 -0.203 0.000 0.955 367 F CB 1.502 40.393 39.000 -0.182 0.000 1.136 367 F HN 0.092 nan 8.300 nan 0.000 0.452 368 K N 4.895 125.217 120.400 -0.130 0.000 2.339 368 K HA 0.219 4.451 4.320 -0.148 0.000 0.286 368 K C -2.366 174.187 176.600 -0.079 0.000 1.050 368 K CA -1.599 54.633 56.287 -0.092 0.000 0.956 368 K CB 0.506 32.949 32.500 -0.096 0.000 0.990 368 K HN 0.230 nan 8.250 nan 0.000 0.475 369 P HA -0.068 nan 4.420 nan 0.000 0.266 369 P C 0.345 177.738 177.300 0.155 0.000 1.195 369 P CA 0.129 63.325 63.100 0.161 0.000 0.768 369 P CB 0.640 32.391 31.700 0.086 0.000 0.838 370 G N 2.147 111.115 108.800 0.279 0.000 3.088 370 G HA2 -0.100 3.771 3.960 -0.148 0.000 0.212 370 G HA3 -0.100 3.771 3.960 -0.148 0.000 0.212 370 G C 1.431 176.313 174.900 -0.030 0.000 1.173 370 G CA -0.031 45.191 45.100 0.204 0.000 0.779 370 G HN 0.387 nan 8.290 nan 0.000 0.540 371 R N 1.399 121.780 120.500 -0.199 0.000 2.073 371 R HA 0.073 4.324 4.340 -0.148 0.000 0.229 371 R C -1.411 174.707 176.300 -0.304 0.000 1.120 371 R CA 0.604 56.342 56.100 -0.604 0.000 0.967 371 R CB -0.977 29.050 30.300 -0.455 0.000 0.862 371 R HN 0.282 nan 8.270 nan 0.000 0.436 372 P HA 0.367 nan 4.420 nan 0.000 0.300 372 P C -0.660 176.625 177.300 -0.025 0.000 1.326 372 P CA 0.218 63.278 63.100 -0.065 0.000 0.844 372 P CB 1.783 33.460 31.700 -0.038 0.000 0.992 373 A N 4.682 127.498 122.820 -0.006 0.000 5.471 373 A HA -0.152 4.080 4.320 -0.148 0.000 0.292 373 A C -2.250 175.359 177.584 0.041 0.000 2.024 373 A CA 0.393 52.445 52.037 0.025 0.000 0.716 373 A CB -3.300 15.723 19.000 0.038 0.000 1.221 373 A HN 0.606 nan 8.150 nan 0.000 0.364 374 P HA 0.599 nan 4.420 nan 0.000 0.287 374 P C -0.629 176.736 177.300 0.107 0.000 1.279 374 P CA -0.513 62.632 63.100 0.074 0.000 0.867 374 P CB 0.833 32.556 31.700 0.038 0.000 1.127 375 F N 1.551 121.503 119.950 0.003 0.000 2.471 375 F HA 0.462 4.904 4.527 -0.142 0.000 0.353 375 F C -0.206 175.614 175.800 0.033 0.000 1.113 375 F CA 0.596 58.607 58.000 0.019 0.000 1.262 375 F CB 0.390 39.388 39.000 -0.002 0.000 1.146 375 F HN 0.571 nan 8.300 nan 0.000 0.578 376 A N 4.237 126.670 122.820 -0.645 0.000 2.599 376 A HA 0.638 4.869 4.320 -0.148 0.000 0.290 376 A C -1.791 175.584 177.584 -0.349 0.000 1.101 376 A CA -0.794 51.027 52.037 -0.360 0.000 0.674 376 A CB 0.930 19.836 19.000 -0.157 0.000 1.277 376 A HN 0.562 nan 8.150 nan 0.000 0.419 377 V N 1.503 121.337 119.914 -0.133 0.000 2.465 377 V HA 0.213 4.244 4.120 -0.148 0.000 0.279 377 V C 1.192 177.216 176.094 -0.116 0.000 1.045 377 V CA 0.015 62.225 62.300 -0.150 0.000 0.938 377 V CB 1.033 32.797 31.823 -0.099 0.000 0.986 377 V HN 1.059 nan 8.190 nan 0.000 0.467 378 E N 2.527 122.637 120.200 -0.150 0.000 2.072 378 E HA -0.088 4.173 4.350 -0.148 0.000 0.191 378 E C 0.650 177.242 176.600 -0.013 0.000 0.985 378 E CA 1.034 57.398 56.400 -0.060 0.000 0.801 378 E CB 0.421 30.075 29.700 -0.077 0.000 0.750 378 E HN 0.755 nan 8.360 nan 0.000 0.452 379 E N -0.034 120.137 120.200 -0.048 0.000 2.331 379 E HA 0.301 4.563 4.350 -0.148 0.000 0.275 379 E C -1.886 174.720 176.600 0.010 0.000 0.895 379 E CA -0.527 55.879 56.400 0.010 0.000 0.753 379 E CB 1.606 31.305 29.700 -0.001 0.000 1.216 379 E HN -0.089 nan 8.360 nan 0.000 0.434 380 L N 5.746 127.028 121.223 0.098 0.000 2.488 380 L HA 0.452 4.703 4.340 -0.148 0.000 0.250 380 L C -2.748 174.222 176.870 0.167 0.000 1.280 380 L CA -1.896 53.012 54.840 0.113 0.000 0.929 380 L CB 1.276 43.428 42.059 0.155 0.000 1.200 380 L HN 0.320 nan 8.230 nan 0.000 0.495 381 P HA 0.281 nan 4.420 nan 0.000 0.271 381 P C -1.008 176.360 177.300 0.113 0.000 1.233 381 P CA 0.305 63.472 63.100 0.110 0.000 0.764 381 P CB 0.629 32.357 31.700 0.047 0.000 0.825 382 L N 3.178 124.507 121.223 0.177 0.000 2.388 382 L HA 0.588 4.840 4.340 -0.148 0.000 0.264 382 L C 0.638 177.584 176.870 0.126 0.000 0.998 382 L CA -0.816 54.139 54.840 0.192 0.000 0.817 382 L CB 2.425 44.673 42.059 0.314 0.000 1.338 382 L HN 0.393 nan 8.230 nan 0.000 0.414 383 E N 0.820 121.054 120.200 0.057 0.000 2.393 383 E HA 0.714 4.975 4.350 -0.148 0.000 0.265 383 E C -1.674 174.988 176.600 0.104 0.000 0.941 383 E CA -0.845 55.440 56.400 -0.191 0.000 0.801 383 E CB 2.290 31.838 29.700 -0.253 0.000 1.313 383 E HN 0.535 nan 8.360 nan 0.000 0.435 384 W N 0.000 121.310 121.300 0.017 0.000 2.388 384 W HA 0.000 4.569 4.660 -0.152 0.000 0.303 384 W CA 0.000 57.398 57.345 0.088 0.000 1.226 384 W CB 0.000 29.579 29.460 0.198 0.000 1.126 384 W HN 0.000 nan 8.180 nan 0.000 0.535