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 1zsy_1_A DATA FIRST_RESID 11 DATA SEQUENCE VDLGTENLYF QSMPARVRAL VYGHHGDPAK VVELKNLELA AVRGSDVRVK DATA SEQUENCE MLAAPINPSD INMIQGNYGL LPELPAVGGN EGVAQVVAVG SNVTGLKPGD DATA SEQUENCE WVIPANAGLG TWRTEAVFSE EALIQVPSDI PLQSAATLGV NPCTAYRMLM DATA SEQUENCE DFEQLQPGDS VIQNASNSGV GQAVIQIAAA LGLRTINVVR DRPDIQKLSD DATA SEQUENCE RLKSLGAEHV ITEEELRRPE MKNFFKDMPQ PRLALNCVGG KSSTELLRQL DATA SEQUENCE ARGGTMVTYG GMAKQPVVAS VSLLIFKDLK LRGFWLSQWK KDHSPDQFKE DATA SEQUENCE LILTLCDLIR RGQLTAPACS QVPLQDYQSA LEASMKPFIS SKQILTM 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 11 V HA 0.000 nan 4.120 nan 0.000 0.244 11 V C 0.000 176.112 176.094 0.030 0.000 1.182 11 V CA 0.000 62.300 62.300 -0.001 0.000 1.235 11 V CB 0.000 31.701 31.823 -0.204 0.000 1.184 12 D N 3.981 124.443 120.400 0.105 0.000 2.373 12 D HA 0.358 4.991 4.640 -0.011 0.000 0.227 12 D C 0.773 177.128 176.300 0.092 0.000 1.091 12 D CA -0.477 53.573 54.000 0.084 0.000 0.840 12 D CB 1.810 42.666 40.800 0.094 0.000 1.060 12 D HN 0.367 nan 8.370 nan 0.000 0.502 13 L N 3.830 125.079 121.223 0.043 0.000 2.187 13 L HA 0.109 4.442 4.340 -0.011 0.000 0.213 13 L C 1.887 178.799 176.870 0.070 0.000 1.100 13 L CA 2.126 56.986 54.840 0.034 0.000 0.765 13 L CB -0.306 41.758 42.059 0.007 0.000 0.904 13 L HN 0.641 nan 8.230 nan 0.000 0.437 14 G N -2.168 106.675 108.800 0.072 0.000 3.088 14 G HA2 -0.019 3.934 3.960 -0.011 0.000 0.217 14 G HA3 -0.019 3.934 3.960 -0.011 0.000 0.217 14 G C 0.667 175.621 174.900 0.089 0.000 1.159 14 G CA 0.404 45.548 45.100 0.073 0.000 0.760 14 G HN 0.307 nan 8.290 nan 0.000 0.550 15 T N 0.394 115.018 114.554 0.117 0.000 2.946 15 T HA 0.028 4.372 4.350 -0.011 0.000 0.312 15 T C 1.204 175.968 174.700 0.107 0.000 1.066 15 T CA 0.472 62.640 62.100 0.114 0.000 1.138 15 T CB 0.645 69.602 68.868 0.147 0.000 1.014 15 T HN 0.422 nan 8.240 nan 0.000 0.544 16 E N 2.338 122.585 120.200 0.077 0.000 2.479 16 E HA 0.045 4.388 4.350 -0.011 0.000 0.193 16 E C 0.168 176.807 176.600 0.064 0.000 1.049 16 E CA -0.136 56.305 56.400 0.069 0.000 0.870 16 E CB 0.209 29.940 29.700 0.052 0.000 0.944 16 E HN 0.448 nan 8.360 nan 0.000 0.492 17 N N 1.460 120.191 118.700 0.051 0.000 2.678 17 N HA 0.076 4.809 4.740 -0.011 0.000 0.231 17 N C -0.535 174.931 175.510 -0.074 0.000 1.038 17 N CA -0.112 52.964 53.050 0.042 0.000 0.932 17 N CB 0.317 38.821 38.487 0.028 0.000 1.176 17 N HN 0.006 nan 8.380 nan 0.000 0.511 18 L N 3.275 124.451 121.223 -0.078 0.000 2.955 18 L HA 0.251 4.585 4.340 -0.011 0.000 0.238 18 L C -0.736 175.629 176.870 -0.841 0.000 1.359 18 L CA -0.157 54.518 54.840 -0.275 0.000 1.214 18 L CB -0.884 41.164 42.059 -0.018 0.000 1.600 18 L HN 0.456 nan 8.230 nan 0.000 0.442 19 Y N -0.837 119.018 120.300 -0.742 0.000 2.477 19 Y HA 0.612 5.155 4.550 -0.011 0.000 0.347 19 Y C -0.305 175.082 175.900 -0.856 0.000 0.981 19 Y CA -0.867 56.891 58.100 -0.571 0.000 1.033 19 Y CB 1.785 40.121 38.460 -0.206 0.000 1.245 19 Y HN -0.089 nan 8.280 nan 0.000 0.455 20 F N 0.231 120.305 119.950 0.207 0.000 2.588 20 F HA 0.410 4.930 4.527 -0.011 0.000 0.310 20 F C -0.138 175.722 175.800 0.101 0.000 1.082 20 F CA -1.195 56.871 58.000 0.111 0.000 0.929 20 F CB 1.906 40.928 39.000 0.037 0.000 1.254 20 F HN 0.347 nan 8.300 nan 0.000 0.455 21 Q N 0.294 120.234 119.800 0.234 0.000 2.417 21 Q HA 0.413 4.746 4.340 -0.011 0.000 0.241 21 Q C -0.343 175.740 176.000 0.138 0.000 1.008 21 Q CA 0.154 56.048 55.803 0.151 0.000 0.901 21 Q CB 0.858 29.659 28.738 0.105 0.000 1.259 21 Q HN 0.763 nan 8.270 nan 0.000 0.489 22 S N 1.896 117.655 115.700 0.098 0.000 2.941 22 S HA 0.219 4.682 4.470 -0.011 0.000 0.248 22 S C -0.528 174.099 174.600 0.046 0.000 0.962 22 S CA -0.486 57.755 58.200 0.069 0.000 1.092 22 S CB 0.407 63.652 63.200 0.074 0.000 1.113 22 S HN 0.536 nan 8.310 nan 0.000 0.512 23 M N 2.642 122.268 119.600 0.043 0.000 2.245 23 M HA 0.265 4.738 4.480 -0.011 0.000 0.330 23 M C -2.387 173.924 176.300 0.019 0.000 1.098 23 M CA -2.089 53.229 55.300 0.030 0.000 1.172 23 M CB -1.042 31.576 32.600 0.030 0.000 1.467 23 M HN -0.042 nan 8.290 nan 0.000 0.454 24 P HA 0.219 nan 4.420 nan 0.000 0.264 24 P C -1.143 176.159 177.300 0.004 0.000 1.183 24 P CA 0.197 63.300 63.100 0.005 0.000 0.763 24 P CB 0.430 32.132 31.700 0.004 0.000 0.807 25 A N 2.792 125.611 122.820 -0.002 0.000 2.594 25 A HA 0.631 4.944 4.320 -0.011 0.000 0.291 25 A C -0.513 177.066 177.584 -0.009 0.000 1.105 25 A CA -0.992 51.043 52.037 -0.003 0.000 0.694 25 A CB 1.215 20.214 19.000 -0.001 0.000 1.291 25 A HN 0.621 nan 8.150 nan 0.000 0.410 26 R N 0.404 120.899 120.500 -0.008 0.000 2.679 26 R HA 0.431 4.764 4.340 -0.011 0.000 0.268 26 R C -0.850 175.440 176.300 -0.016 0.000 1.044 26 R CA -0.343 55.750 56.100 -0.011 0.000 1.105 26 R CB 0.055 30.350 30.300 -0.008 0.000 0.989 26 R HN 0.255 nan 8.270 nan 0.000 0.447 27 V N 3.478 123.379 119.914 -0.022 0.000 2.461 27 V HA 0.293 4.406 4.120 -0.011 0.000 0.275 27 V C 0.493 176.573 176.094 -0.023 0.000 1.047 27 V CA -0.321 61.962 62.300 -0.028 0.000 0.955 27 V CB 0.616 32.416 31.823 -0.039 0.000 0.988 27 V HN 0.729 nan 8.190 nan 0.000 0.471 28 R N 3.025 123.513 120.500 -0.020 0.000 2.686 28 R HA 0.876 5.209 4.340 -0.011 0.000 0.286 28 R C -0.825 175.465 176.300 -0.016 0.000 0.969 28 R CA -0.561 55.528 56.100 -0.019 0.000 0.898 28 R CB 2.409 32.700 30.300 -0.016 0.000 1.183 28 R HN 0.803 nan 8.270 nan 0.000 0.456 29 A N 2.775 125.583 122.820 -0.021 0.000 2.572 29 A HA 0.536 4.850 4.320 -0.011 0.000 0.295 29 A C -1.266 176.302 177.584 -0.027 0.000 1.072 29 A CA -0.778 51.258 52.037 -0.001 0.000 0.691 29 A CB 1.375 20.379 19.000 0.006 0.000 1.291 29 A HN 0.584 nan 8.150 nan 0.000 0.404 30 L N 2.016 123.250 121.223 0.017 0.000 2.261 30 L HA 0.521 4.854 4.340 -0.011 0.000 0.289 30 L C -0.768 176.168 176.870 0.110 0.000 1.059 30 L CA -0.612 54.218 54.840 -0.017 0.000 0.816 30 L CB 0.928 43.009 42.059 0.037 0.000 1.191 30 L HN 0.420 nan 8.230 nan 0.000 0.431 31 V N 3.830 123.787 119.914 0.073 0.000 2.680 31 V HA 0.449 4.562 4.120 -0.011 0.000 0.309 31 V C -0.761 175.435 176.094 0.169 0.000 1.052 31 V CA -0.707 61.642 62.300 0.081 0.000 0.908 31 V CB 1.871 33.688 31.823 -0.009 0.000 1.001 31 V HN 0.563 nan 8.190 nan 0.000 0.431 32 Y N 0.782 121.069 120.300 -0.022 0.000 2.409 32 Y HA 0.815 5.358 4.550 -0.011 0.000 0.343 32 Y C 0.774 176.612 175.900 -0.103 0.000 0.973 32 Y CA -0.684 57.401 58.100 -0.024 0.000 1.064 32 Y CB 2.111 40.570 38.460 -0.002 0.000 1.207 32 Y HN 0.570 nan 8.280 nan 0.000 0.452 33 G N 1.757 110.506 108.800 -0.085 0.000 2.921 33 G HA2 0.139 4.092 3.960 -0.011 0.000 0.213 33 G HA3 0.139 4.092 3.960 -0.011 0.000 0.213 33 G C -0.030 174.504 174.900 -0.611 0.000 1.143 33 G CA 0.023 44.910 45.100 -0.354 0.000 0.764 33 G HN 0.718 nan 8.290 nan 0.000 0.542 34 H N -0.809 118.261 119.070 -0.001 0.000 2.895 34 H HA 0.318 4.867 4.556 -0.012 0.000 0.373 34 H C -0.960 174.410 175.328 0.070 0.000 1.174 34 H CA -0.788 55.263 56.048 0.005 0.000 1.144 34 H CB 1.242 31.035 29.762 0.052 0.000 1.793 34 H HN 0.157 nan 8.280 nan 0.000 0.551 35 H N -0.156 119.092 119.070 0.297 0.000 2.629 35 H HA 0.472 5.022 4.556 -0.010 0.000 0.357 35 H C 0.836 176.256 175.328 0.153 0.000 1.121 35 H CA 1.248 57.432 56.048 0.226 0.000 1.406 35 H CB 1.107 30.967 29.762 0.164 0.000 1.456 35 H HN 0.917 nan 8.280 nan 0.000 0.579 36 G N 1.138 110.069 108.800 0.217 0.000 2.367 36 G HA2 -0.032 3.921 3.960 -0.011 0.000 0.272 36 G HA3 -0.032 3.921 3.960 -0.011 0.000 0.272 36 G C -1.387 173.556 174.900 0.072 0.000 1.271 36 G CA -0.919 44.256 45.100 0.124 0.000 0.893 36 G HN 0.599 nan 8.290 nan 0.000 0.485 37 D N 0.999 121.432 120.400 0.056 0.000 2.382 37 D HA 0.339 4.973 4.640 -0.011 0.000 0.259 37 D C -0.953 175.375 176.300 0.046 0.000 1.224 37 D CA -1.615 52.409 54.000 0.039 0.000 0.894 37 D CB 1.556 42.376 40.800 0.033 0.000 1.127 37 D HN -0.053 nan 8.370 nan 0.000 0.487 38 P HA -0.187 nan 4.420 nan 0.000 0.216 38 P C 0.988 178.345 177.300 0.095 0.000 1.154 38 P CA 1.914 65.048 63.100 0.057 0.000 0.865 38 P CB 0.099 31.840 31.700 0.069 0.000 0.789 39 A N -1.290 121.567 122.820 0.062 0.000 2.024 39 A HA -0.225 4.088 4.320 -0.011 0.000 0.220 39 A C 2.003 179.624 177.584 0.062 0.000 1.164 39 A CA 2.001 54.064 52.037 0.044 0.000 0.643 39 A CB -0.794 18.210 19.000 0.007 0.000 0.806 39 A HN 0.120 nan 8.150 nan 0.000 0.451 40 K N -1.379 119.063 120.400 0.071 0.000 2.313 40 K HA 0.113 4.426 4.320 -0.011 0.000 0.197 40 K C 1.623 178.288 176.600 0.108 0.000 1.061 40 K CA 1.051 57.382 56.287 0.073 0.000 0.980 40 K CB 0.226 32.756 32.500 0.050 0.000 0.888 40 K HN 0.421 nan 8.250 nan 0.000 0.502 41 V N -2.491 117.501 119.914 0.130 0.000 3.471 41 V HA 0.244 4.357 4.120 -0.011 0.000 0.258 41 V C 0.627 176.850 176.094 0.216 0.000 1.192 41 V CA -0.294 62.113 62.300 0.179 0.000 1.116 41 V CB 0.146 32.089 31.823 0.200 0.000 0.792 41 V HN -0.206 nan 8.190 nan 0.000 0.459 42 V N 2.658 122.701 119.914 0.216 0.000 2.461 42 V HA 0.435 4.548 4.120 -0.011 0.000 0.275 42 V C -0.061 176.175 176.094 0.237 0.000 1.047 42 V CA -0.171 62.276 62.300 0.245 0.000 0.955 42 V CB 0.727 32.722 31.823 0.286 0.000 0.988 42 V HN 0.612 nan 8.190 nan 0.000 0.471 43 E N 3.444 123.719 120.200 0.126 0.000 2.288 43 E HA 0.468 4.811 4.350 -0.011 0.000 0.268 43 E C -1.251 175.310 176.600 -0.065 0.000 0.885 43 E CA -1.129 55.328 56.400 0.096 0.000 0.767 43 E CB 2.905 32.663 29.700 0.097 0.000 1.220 43 E HN 0.458 nan 8.360 nan 0.000 0.427 44 L N 2.660 123.833 121.223 -0.083 0.000 2.313 44 L HA 0.288 4.621 4.340 -0.011 0.000 0.282 44 L C -0.860 175.992 176.870 -0.029 0.000 1.092 44 L CA 0.438 55.201 54.840 -0.128 0.000 0.831 44 L CB 0.027 42.040 42.059 -0.076 0.000 1.159 44 L HN 0.381 nan 8.230 nan 0.000 0.442 45 K N 3.944 124.324 120.400 -0.034 0.000 2.385 45 K HA 0.421 4.734 4.320 -0.011 0.000 0.248 45 K C -0.954 175.636 176.600 -0.016 0.000 0.955 45 K CA -0.943 55.336 56.287 -0.013 0.000 0.816 45 K CB 1.819 34.311 32.500 -0.013 0.000 1.250 45 K HN 0.578 nan 8.250 nan 0.000 0.434 46 N N 1.415 120.109 118.700 -0.010 0.000 2.499 46 N HA 0.330 5.063 4.740 -0.011 0.000 0.281 46 N C -0.758 174.741 175.510 -0.018 0.000 1.098 46 N CA -0.326 52.716 53.050 -0.013 0.000 0.979 46 N CB 0.808 39.290 38.487 -0.008 0.000 1.121 46 N HN 0.172 nan 8.380 nan 0.000 0.466 47 L N 0.451 121.660 121.223 -0.024 0.000 2.319 47 L HA 0.449 4.782 4.340 -0.011 0.000 0.267 47 L C 0.424 177.276 176.870 -0.030 0.000 1.011 47 L CA -0.939 53.884 54.840 -0.029 0.000 0.818 47 L CB 1.625 43.661 42.059 -0.037 0.000 1.316 47 L HN 0.552 nan 8.230 nan 0.000 0.432 48 E N 0.900 121.082 120.200 -0.031 0.000 2.373 48 E HA 0.167 4.510 4.350 -0.011 0.000 0.263 48 E C -0.874 175.703 176.600 -0.038 0.000 1.073 48 E CA -0.809 55.573 56.400 -0.030 0.000 0.894 48 E CB 1.330 31.014 29.700 -0.027 0.000 1.008 48 E HN 0.343 nan 8.360 nan 0.000 0.420 49 L N 3.618 124.821 121.223 -0.034 0.000 2.433 49 L HA 0.246 4.579 4.340 -0.011 0.000 0.275 49 L C -0.458 176.387 176.870 -0.043 0.000 1.128 49 L CA 0.435 55.252 54.840 -0.040 0.000 0.875 49 L CB 0.074 42.114 42.059 -0.030 0.000 1.171 49 L HN 0.568 nan 8.230 nan 0.000 0.463 50 A N 4.740 127.526 122.820 -0.057 0.000 2.304 50 A HA 0.782 5.095 4.320 -0.011 0.000 0.271 50 A C 0.056 177.610 177.584 -0.049 0.000 1.091 50 A CA -0.115 51.888 52.037 -0.057 0.000 0.812 50 A CB 0.410 19.363 19.000 -0.078 0.000 1.056 50 A HN 1.040 nan 8.150 nan 0.000 0.489 51 A N 0.592 123.389 122.820 -0.038 0.000 2.327 51 A HA 0.543 4.856 4.320 -0.011 0.000 0.283 51 A C -0.245 177.321 177.584 -0.029 0.000 1.127 51 A CA -0.346 51.674 52.037 -0.029 0.000 0.810 51 A CB 0.271 19.259 19.000 -0.020 0.000 1.066 51 A HN 1.015 nan 8.150 nan 0.000 0.492 52 V N 3.210 123.110 119.914 -0.022 0.000 2.334 52 V HA 0.534 4.647 4.120 -0.011 0.000 0.267 52 V C 1.144 177.235 176.094 -0.006 0.000 1.040 52 V CA 0.129 62.419 62.300 -0.016 0.000 0.866 52 V CB -0.006 31.809 31.823 -0.013 0.000 1.019 52 V HN 1.210 nan 8.190 nan 0.000 0.468 53 R N 2.941 123.440 120.500 -0.002 0.000 2.652 53 R HA 0.568 4.901 4.340 -0.011 0.000 0.272 53 R C 1.784 178.089 176.300 0.008 0.000 1.162 53 R CA 0.207 56.308 56.100 0.003 0.000 1.199 53 R CB -0.579 29.724 30.300 0.004 0.000 1.166 53 R HN 0.895 nan 8.270 nan 0.000 0.597 54 G N -0.273 108.532 108.800 0.008 0.000 2.556 54 G HA2 -0.238 3.715 3.960 -0.011 0.000 0.220 54 G HA3 -0.238 3.715 3.960 -0.011 0.000 0.220 54 G C 1.210 176.118 174.900 0.015 0.000 1.156 54 G CA 1.653 46.759 45.100 0.010 0.000 0.766 54 G HN 0.660 nan 8.290 nan 0.000 0.583 55 S N 0.473 116.184 115.700 0.018 0.000 2.575 55 S HA 0.240 4.703 4.470 -0.011 0.000 0.237 55 S C -0.350 174.271 174.600 0.035 0.000 0.975 55 S CA -0.492 57.722 58.200 0.024 0.000 0.960 55 S CB 0.332 63.545 63.200 0.023 0.000 0.822 55 S HN 0.304 nan 8.310 nan 0.000 0.472 56 D N 1.957 122.376 120.400 0.032 0.000 2.294 56 D HA 0.474 5.107 4.640 -0.011 0.000 0.250 56 D C 0.043 176.367 176.300 0.040 0.000 1.058 56 D CA -0.176 53.849 54.000 0.041 0.000 0.950 56 D CB 1.720 42.533 40.800 0.022 0.000 1.158 56 D HN 0.161 nan 8.370 nan 0.000 0.453 57 V N -1.466 118.480 119.914 0.053 0.000 2.876 57 V HA 0.593 4.706 4.120 -0.011 0.000 0.312 57 V C -0.445 175.656 176.094 0.010 0.000 1.085 57 V CA -1.126 61.200 62.300 0.043 0.000 0.945 57 V CB 2.189 34.054 31.823 0.071 0.000 1.017 57 V HN 0.424 nan 8.190 nan 0.000 0.428 58 R N 2.145 122.640 120.500 -0.009 0.000 2.312 58 R HA 0.778 5.111 4.340 -0.011 0.000 0.311 58 R C -0.692 175.595 176.300 -0.021 0.000 1.004 58 R CA -0.280 55.789 56.100 -0.051 0.000 0.902 58 R CB 1.662 31.936 30.300 -0.044 0.000 1.073 58 R HN 1.129 nan 8.270 nan 0.000 0.457 59 V N 0.813 120.697 119.914 -0.050 0.000 2.864 59 V HA 0.582 4.695 4.120 -0.011 0.000 0.314 59 V C -1.001 175.075 176.094 -0.029 0.000 1.073 59 V CA -1.046 61.256 62.300 0.004 0.000 0.956 59 V CB 1.836 33.715 31.823 0.093 0.000 1.023 59 V HN 0.788 nan 8.190 nan 0.000 0.435 60 K N 3.522 123.909 120.400 -0.021 0.000 2.339 60 K HA 0.572 4.885 4.320 -0.011 0.000 0.264 60 K C -0.402 176.153 176.600 -0.074 0.000 0.986 60 K CA -0.818 55.441 56.287 -0.045 0.000 0.866 60 K CB 1.535 34.013 32.500 -0.038 0.000 1.103 60 K HN 0.877 nan 8.250 nan 0.000 0.441 61 M N 4.827 124.392 119.600 -0.058 0.000 2.249 61 M HA 0.079 4.552 4.480 -0.011 0.000 0.340 61 M C -0.191 176.002 176.300 -0.178 0.000 1.166 61 M CA 0.454 55.709 55.300 -0.075 0.000 1.115 61 M CB 0.518 33.113 32.600 -0.008 0.000 1.606 61 M HN 0.840 nan 8.290 nan 0.000 0.448 62 L N 2.539 123.600 121.223 -0.270 0.000 2.433 62 L HA 0.567 4.900 4.340 -0.011 0.000 0.200 62 L C 0.310 176.995 176.870 -0.307 0.000 1.059 62 L CA 0.130 54.714 54.840 -0.428 0.000 0.835 62 L CB -0.088 41.531 42.059 -0.733 0.000 1.076 62 L HN 0.787 nan 8.230 nan 0.000 0.481 63 A N -0.148 122.540 122.820 -0.220 0.000 2.589 63 A HA 0.819 5.133 4.320 -0.011 0.000 0.296 63 A C -1.643 175.917 177.584 -0.041 0.000 1.062 63 A CA -0.044 51.917 52.037 -0.127 0.000 0.686 63 A CB 1.516 20.432 19.000 -0.141 0.000 1.282 63 A HN 0.055 nan 8.150 nan 0.000 0.404 64 A N 2.752 125.583 122.820 0.019 0.000 2.429 64 A HA 0.858 5.172 4.320 -0.011 0.000 0.289 64 A C -3.190 174.471 177.584 0.129 0.000 1.043 64 A CA -1.463 50.651 52.037 0.130 0.000 0.722 64 A CB 1.394 20.567 19.000 0.289 0.000 1.243 64 A HN 0.527 nan 8.150 nan 0.000 0.415 65 P HA 0.409 nan 4.420 nan 0.000 0.274 65 P C -0.576 176.865 177.300 0.235 0.000 1.246 65 P CA -0.108 63.067 63.100 0.124 0.000 0.795 65 P CB 0.793 32.561 31.700 0.113 0.000 1.006 66 I N 2.116 122.763 120.570 0.127 0.000 2.312 66 I HA 0.264 4.428 4.170 -0.011 0.000 0.290 66 I C 0.444 176.674 176.117 0.187 0.000 1.008 66 I CA -0.368 61.065 61.300 0.222 0.000 1.226 66 I CB 0.471 38.462 38.000 -0.015 0.000 1.371 66 I HN 0.179 nan 8.210 nan 0.000 0.468 67 N N 7.654 126.487 118.700 0.223 0.000 2.362 67 N HA 0.386 5.119 4.740 -0.011 0.000 0.299 67 N C -1.946 173.617 175.510 0.088 0.000 1.170 67 N CA -1.926 51.200 53.050 0.128 0.000 0.825 67 N CB 1.621 40.174 38.487 0.110 0.000 1.299 67 N HN 0.130 nan 8.380 nan 0.000 0.502 68 P HA -0.174 nan 4.420 nan 0.000 0.216 68 P C 1.241 178.522 177.300 -0.031 0.000 1.153 68 P CA 1.766 64.881 63.100 0.025 0.000 0.858 68 P CB 0.184 31.905 31.700 0.034 0.000 0.789 69 S N -1.128 114.534 115.700 -0.063 0.000 2.399 69 S HA -0.181 4.282 4.470 -0.011 0.000 0.231 69 S C 1.656 176.019 174.600 -0.395 0.000 1.022 69 S CA 1.409 59.430 58.200 -0.299 0.000 0.983 69 S CB -1.284 61.771 63.200 -0.242 0.000 0.803 69 S HN 0.099 nan 8.310 nan 0.000 0.480 70 D N 1.902 122.190 120.400 -0.188 0.000 2.117 70 D HA -0.029 4.604 4.640 -0.011 0.000 0.197 70 D C 2.007 178.214 176.300 -0.155 0.000 0.987 70 D CA 0.947 54.826 54.000 -0.202 0.000 0.829 70 D CB -0.263 40.522 40.800 -0.024 0.000 0.961 70 D HN 0.352 nan 8.370 nan 0.000 0.460 71 I N 1.496 122.040 120.570 -0.044 0.000 2.202 71 I HA -0.179 3.984 4.170 -0.011 0.000 0.242 71 I C 1.903 177.976 176.117 -0.073 0.000 1.091 71 I CA 0.910 62.199 61.300 -0.018 0.000 1.368 71 I CB -1.005 37.009 38.000 0.023 0.000 1.058 71 I HN -0.020 nan 8.210 nan 0.000 0.410 72 N N 0.708 119.348 118.700 -0.100 0.000 2.120 72 N HA -0.185 4.548 4.740 -0.011 0.000 0.188 72 N C 1.918 177.392 175.510 -0.060 0.000 1.024 72 N CA 1.122 54.136 53.050 -0.061 0.000 0.852 72 N CB -0.386 38.097 38.487 -0.008 0.000 1.003 72 N HN 0.334 nan 8.380 nan 0.000 0.424 73 M N 0.494 119.983 119.600 -0.184 0.000 2.080 73 M HA -0.112 4.361 4.480 -0.011 0.000 0.260 73 M C 1.789 178.108 176.300 0.032 0.000 1.068 73 M CA 1.431 56.695 55.300 -0.060 0.000 1.109 73 M CB -0.059 32.446 32.600 -0.158 0.000 1.342 73 M HN 0.027 nan 8.290 nan 0.000 0.405 74 I N -0.119 120.346 120.570 -0.176 0.000 2.226 74 I HA -0.320 3.843 4.170 -0.011 0.000 0.245 74 I C 2.203 178.326 176.117 0.011 0.000 1.100 74 I CA 1.381 62.458 61.300 -0.372 0.000 1.374 74 I CB -0.406 37.261 38.000 -0.556 0.000 1.057 74 I HN 0.403 nan 8.210 nan 0.000 0.413 75 Q N 0.454 120.258 119.800 0.007 0.000 2.364 75 Q HA -0.038 4.295 4.340 -0.011 0.000 0.207 75 Q C 1.543 177.566 176.000 0.037 0.000 0.970 75 Q CA 0.906 56.736 55.803 0.045 0.000 0.888 75 Q CB 0.039 28.783 28.738 0.010 0.000 0.951 75 Q HN 0.688 nan 8.270 nan 0.000 0.469 76 G N 1.157 109.932 108.800 -0.041 0.000 2.141 76 G HA2 -0.263 3.690 3.960 -0.011 0.000 0.242 76 G HA3 -0.263 3.690 3.960 -0.011 0.000 0.242 76 G C -0.335 174.471 174.900 -0.156 0.000 0.982 76 G CA 0.107 44.997 45.100 -0.349 0.000 0.662 76 G HN 0.431 nan 8.290 nan 0.000 0.527 77 N N -0.003 118.674 118.700 -0.038 0.000 2.990 77 N HA 0.577 5.310 4.740 -0.011 0.000 0.288 77 N C -1.026 174.532 175.510 0.080 0.000 1.624 77 N CA -0.415 52.629 53.050 -0.011 0.000 0.961 77 N CB 0.751 39.230 38.487 -0.013 0.000 1.259 77 N HN 0.375 nan 8.380 nan 0.000 0.489 78 Y N -1.322 118.908 120.300 -0.116 0.000 2.624 78 Y HA 0.434 4.976 4.550 -0.013 0.000 0.334 78 Y C 0.924 176.753 175.900 -0.119 0.000 1.155 78 Y CA -1.064 56.966 58.100 -0.117 0.000 1.046 78 Y CB 1.303 39.741 38.460 -0.037 0.000 1.316 78 Y HN 0.141 nan 8.280 nan 0.000 0.457 79 G N 1.662 109.986 108.800 -0.793 0.000 2.650 79 G HA2 0.094 4.047 3.960 -0.011 0.000 0.214 79 G HA3 0.094 4.047 3.960 -0.011 0.000 0.214 79 G C -0.622 174.285 174.900 0.012 0.000 1.136 79 G CA 0.531 45.313 45.100 -0.530 0.000 0.789 79 G HN 0.376 nan 8.290 nan 0.000 0.536 80 L N 0.360 121.702 121.223 0.197 0.000 2.406 80 L HA 0.654 4.987 4.340 -0.011 0.000 0.272 80 L C -1.246 175.820 176.870 0.327 0.000 0.980 80 L CA -0.754 54.281 54.840 0.325 0.000 0.831 80 L CB 1.846 44.152 42.059 0.411 0.000 1.253 80 L HN -0.083 nan 8.230 nan 0.000 0.406 81 L N 6.792 128.142 121.223 0.213 0.000 2.442 81 L HA 0.504 4.837 4.340 -0.011 0.000 0.261 81 L C -2.031 174.953 176.870 0.190 0.000 1.000 81 L CA -1.528 53.449 54.840 0.228 0.000 0.882 81 L CB 1.338 43.500 42.059 0.172 0.000 1.207 81 L HN 0.512 nan 8.230 nan 0.000 0.443 82 P HA 0.115 nan 4.420 nan 0.000 0.266 82 P C 0.205 177.526 177.300 0.036 0.000 1.193 82 P CA 0.050 63.195 63.100 0.076 0.000 0.770 82 P CB 0.513 32.238 31.700 0.041 0.000 0.836 83 E N 2.552 122.748 120.200 -0.007 0.000 2.413 83 E HA 0.157 4.500 4.350 -0.011 0.000 0.263 83 E C -0.109 176.411 176.600 -0.133 0.000 1.015 83 E CA -0.171 56.206 56.400 -0.039 0.000 0.916 83 E CB -0.160 29.520 29.700 -0.033 0.000 0.947 83 E HN 0.452 nan 8.360 nan 0.000 0.440 84 L N 2.502 123.621 121.223 -0.172 0.000 2.357 84 L HA 0.488 4.822 4.340 -0.011 0.000 0.273 84 L C -1.807 174.928 176.870 -0.225 0.000 1.080 84 L CA -1.918 52.745 54.840 -0.295 0.000 0.803 84 L CB 1.297 43.141 42.059 -0.358 0.000 1.174 84 L HN 0.576 nan 8.230 nan 0.000 0.443 85 P HA 0.387 nan 4.420 nan 0.000 0.271 85 P C -1.103 175.981 177.300 -0.359 0.000 1.216 85 P CA -0.301 62.602 63.100 -0.329 0.000 0.776 85 P CB 1.054 32.619 31.700 -0.225 0.000 0.881 86 A N 1.875 124.342 122.820 -0.589 0.000 2.413 86 A HA 0.602 4.916 4.320 -0.011 0.000 0.307 86 A C -0.751 176.621 177.584 -0.355 0.000 1.087 86 A CA -0.708 51.026 52.037 -0.505 0.000 0.750 86 A CB 1.265 19.881 19.000 -0.640 0.000 1.296 86 A HN 0.343 nan 8.150 nan 0.000 0.423 87 V N 1.400 121.238 119.914 -0.126 0.000 2.546 87 V HA 0.500 4.613 4.120 -0.011 0.000 0.284 87 V C 1.293 177.408 176.094 0.034 0.000 1.050 87 V CA 0.190 62.489 62.300 -0.003 0.000 0.981 87 V CB 1.174 33.006 31.823 0.014 0.000 0.990 87 V HN 1.151 nan 8.190 nan 0.000 0.474 88 G N 2.476 111.313 108.800 0.062 0.000 2.594 88 G HA2 0.527 4.481 3.960 -0.011 0.000 0.243 88 G HA3 0.527 4.481 3.960 -0.011 0.000 0.243 88 G C 0.295 174.507 174.900 -1.148 0.000 1.229 88 G CA 0.379 45.221 45.100 -0.430 0.000 0.843 88 G HN 1.686 nan 8.290 nan 0.000 0.578 89 G N 0.176 107.987 108.800 -1.650 0.000 2.907 89 G HA2 -0.157 3.796 3.960 -0.011 0.000 0.686 89 G HA3 -0.157 3.796 3.960 -0.011 0.000 0.686 89 G C 0.152 174.709 174.900 -0.572 0.000 1.115 89 G CA -0.044 44.121 45.100 -1.558 0.000 0.760 89 G HN 0.693 nan 8.290 nan 0.000 0.620 90 N N 0.014 118.525 118.700 -0.314 0.000 2.257 90 N HA 0.062 4.795 4.740 -0.011 0.000 0.200 90 N C 0.511 175.986 175.510 -0.058 0.000 1.163 90 N CA 0.536 53.495 53.050 -0.152 0.000 0.891 90 N CB 1.415 39.835 38.487 -0.111 0.000 1.067 90 N HN 0.785 nan 8.380 nan 0.000 0.497 91 E N 0.010 120.210 120.200 -0.001 0.000 2.227 91 E HA 0.613 4.957 4.350 -0.011 0.000 0.268 91 E C -0.687 175.965 176.600 0.087 0.000 0.907 91 E CA -0.764 55.673 56.400 0.060 0.000 0.786 91 E CB 1.951 31.707 29.700 0.094 0.000 1.191 91 E HN 0.135 nan 8.360 nan 0.000 0.411 92 G N 0.667 109.509 108.800 0.071 0.000 2.316 92 G HA2 0.313 4.266 3.960 -0.011 0.000 0.296 92 G HA3 0.313 4.266 3.960 -0.011 0.000 0.296 92 G C -1.933 172.980 174.900 0.022 0.000 1.399 92 G CA -0.295 44.840 45.100 0.058 0.000 0.833 92 G HN 0.556 nan 8.290 nan 0.000 0.565 93 V N -0.195 119.698 119.914 -0.036 0.000 2.604 93 V HA 0.946 5.059 4.120 -0.011 0.000 0.305 93 V C 0.066 176.058 176.094 -0.169 0.000 1.043 93 V CA 0.384 62.630 62.300 -0.089 0.000 0.888 93 V CB 1.302 33.039 31.823 -0.143 0.000 0.995 93 V HN 2.296 nan 8.190 nan 0.000 0.429 94 A N 4.989 127.730 122.820 -0.132 0.000 2.527 94 A HA 0.797 5.111 4.320 -0.011 0.000 0.293 94 A C -1.056 176.441 177.584 -0.145 0.000 1.117 94 A CA -0.740 51.217 52.037 -0.134 0.000 0.723 94 A CB 2.001 21.011 19.000 0.015 0.000 1.313 94 A HN 0.853 nan 8.150 nan 0.000 0.411 95 Q N 0.975 120.699 119.800 -0.126 0.000 2.293 95 Q HA 0.563 4.897 4.340 -0.011 0.000 0.261 95 Q C -1.250 174.790 176.000 0.067 0.000 0.960 95 Q CA -0.593 55.210 55.803 0.001 0.000 0.882 95 Q CB 1.500 30.245 28.738 0.012 0.000 1.275 95 Q HN 0.573 nan 8.270 nan 0.000 0.445 96 V N 5.065 125.050 119.914 0.118 0.000 2.529 96 V HA -0.011 4.102 4.120 -0.011 0.000 0.292 96 V C 1.087 177.231 176.094 0.085 0.000 1.028 96 V CA 0.362 62.719 62.300 0.096 0.000 1.074 96 V CB 0.851 32.736 31.823 0.103 0.000 0.958 96 V HN 0.812 nan 8.190 nan 0.000 0.481 97 V N 1.875 121.823 119.914 0.056 0.000 3.523 97 V HA 0.770 4.883 4.120 -0.011 0.000 0.255 97 V C 0.566 176.684 176.094 0.040 0.000 1.226 97 V CA 0.722 63.052 62.300 0.050 0.000 1.092 97 V CB 0.199 32.043 31.823 0.034 0.000 0.817 97 V HN 0.988 nan 8.190 nan 0.000 0.458 98 A N 0.357 123.196 122.820 0.032 0.000 2.604 98 A HA 0.807 5.120 4.320 -0.011 0.000 0.295 98 A C -0.984 176.615 177.584 0.026 0.000 1.067 98 A CA 0.049 52.100 52.037 0.025 0.000 0.683 98 A CB 1.914 20.921 19.000 0.012 0.000 1.281 98 A HN 1.444 nan 8.150 nan 0.000 0.407 99 V N -0.486 119.443 119.914 0.025 0.000 2.876 99 V HA 0.962 5.076 4.120 -0.011 0.000 0.312 99 V C 0.481 176.586 176.094 0.020 0.000 1.085 99 V CA -0.104 62.212 62.300 0.027 0.000 0.945 99 V CB 1.258 33.101 31.823 0.033 0.000 1.017 99 V HN 1.841 nan 8.190 nan 0.000 0.428 100 G N 1.765 110.577 108.800 0.019 0.000 2.636 100 G HA2 0.369 4.322 3.960 -0.011 0.000 0.246 100 G HA3 0.369 4.322 3.960 -0.011 0.000 0.246 100 G C 1.063 175.972 174.900 0.015 0.000 1.216 100 G CA 0.168 45.276 45.100 0.015 0.000 0.854 100 G HN 1.678 nan 8.290 nan 0.000 0.572 101 S N 0.126 115.833 115.700 0.012 0.000 2.440 101 S HA -0.138 4.325 4.470 -0.011 0.000 0.238 101 S C 1.450 176.057 174.600 0.012 0.000 1.010 101 S CA 1.241 59.448 58.200 0.011 0.000 0.972 101 S CB -0.089 63.115 63.200 0.008 0.000 0.774 101 S HN 0.504 nan 8.310 nan 0.000 0.501 102 N N 0.836 119.544 118.700 0.013 0.000 2.280 102 N HA 0.233 4.966 4.740 -0.011 0.000 0.192 102 N C -0.615 174.904 175.510 0.016 0.000 1.109 102 N CA 0.041 53.098 53.050 0.013 0.000 0.855 102 N CB 0.611 39.105 38.487 0.011 0.000 0.974 102 N HN 0.272 nan 8.380 nan 0.000 0.482 103 V N 1.671 121.596 119.914 0.019 0.000 2.432 103 V HA 0.138 4.251 4.120 -0.011 0.000 0.271 103 V C 1.363 177.469 176.094 0.022 0.000 1.046 103 V CA 0.256 62.569 62.300 0.023 0.000 0.945 103 V CB 1.094 32.934 31.823 0.029 0.000 0.992 103 V HN 0.314 nan 8.190 nan 0.000 0.471 104 T N 0.397 114.963 114.554 0.020 0.000 2.958 104 T HA 0.152 4.495 4.350 -0.011 0.000 0.256 104 T C 1.675 176.387 174.700 0.020 0.000 0.983 104 T CA 0.564 62.675 62.100 0.019 0.000 0.924 104 T CB 0.469 69.346 68.868 0.014 0.000 1.136 104 T HN 0.602 nan 8.240 nan 0.000 0.506 105 G N 2.541 111.354 108.800 0.021 0.000 2.524 105 G HA2 0.192 4.145 3.960 -0.011 0.000 0.215 105 G HA3 0.192 4.145 3.960 -0.011 0.000 0.215 105 G C 0.464 175.380 174.900 0.027 0.000 1.239 105 G CA 0.225 45.338 45.100 0.021 0.000 0.798 105 G HN 0.500 nan 8.290 nan 0.000 0.557 106 L N 1.068 122.312 121.223 0.035 0.000 2.418 106 L HA 0.415 4.749 4.340 -0.011 0.000 0.265 106 L C 0.300 177.197 176.870 0.046 0.000 1.143 106 L CA -0.427 54.440 54.840 0.045 0.000 0.809 106 L CB 1.312 43.405 42.059 0.057 0.000 1.124 106 L HN 0.406 nan 8.230 nan 0.000 0.456 107 K N 1.521 121.953 120.400 0.053 0.000 2.509 107 K HA 0.620 4.933 4.320 -0.011 0.000 0.266 107 K C -2.970 173.672 176.600 0.070 0.000 0.987 107 K CA -2.204 54.114 56.287 0.053 0.000 0.868 107 K CB 1.616 34.142 32.500 0.043 0.000 1.421 107 K HN 0.074 nan 8.250 nan 0.000 0.444 108 P HA 0.016 nan 4.420 nan 0.000 0.265 108 P C 0.526 177.889 177.300 0.106 0.000 1.193 108 P CA 1.440 64.589 63.100 0.082 0.000 0.765 108 P CB 0.555 32.296 31.700 0.068 0.000 0.823 109 G N 1.952 110.839 108.800 0.144 0.000 2.234 109 G HA2 -0.187 3.766 3.960 -0.011 0.000 0.235 109 G HA3 -0.187 3.766 3.960 -0.011 0.000 0.235 109 G C 0.017 175.062 174.900 0.242 0.000 0.997 109 G CA -0.339 44.879 45.100 0.197 0.000 0.623 109 G HN 0.496 nan 8.290 nan 0.000 0.514 110 D N 0.274 120.785 120.400 0.186 0.000 2.423 110 D HA 0.391 5.024 4.640 -0.011 0.000 0.238 110 D C 0.303 176.821 176.300 0.364 0.000 1.142 110 D CA 0.227 54.340 54.000 0.188 0.000 0.884 110 D CB 0.339 41.211 40.800 0.121 0.000 1.199 110 D HN 0.222 nan 8.370 nan 0.000 0.438 111 W N 1.357 122.667 121.300 0.017 0.000 2.438 111 W HA 0.464 5.117 4.660 -0.012 0.000 0.324 111 W C -0.106 176.417 176.519 0.007 0.000 1.119 111 W CA -0.923 56.431 57.345 0.015 0.000 1.221 111 W CB 0.551 30.015 29.460 0.007 0.000 1.253 111 W HN 0.035 nan 8.180 nan 0.000 0.555 112 V N 2.013 122.059 119.914 0.221 0.000 3.007 112 V HA 0.787 4.900 4.120 -0.011 0.000 0.311 112 V C -0.567 175.578 176.094 0.086 0.000 1.120 112 V CA -1.456 60.920 62.300 0.126 0.000 0.980 112 V CB 1.681 33.569 31.823 0.108 0.000 1.033 112 V HN 0.525 nan 8.190 nan 0.000 0.429 113 I N -1.200 119.404 120.570 0.056 0.000 3.002 113 I HA 0.854 5.018 4.170 -0.011 0.000 0.310 113 I C -2.891 173.252 176.117 0.044 0.000 1.087 113 I CA -2.898 58.433 61.300 0.052 0.000 1.017 113 I CB 2.325 40.365 38.000 0.067 0.000 1.226 113 I HN 0.381 nan 8.210 nan 0.000 0.443 114 P HA 0.117 nan 4.420 nan 0.000 0.268 114 P C 0.172 177.554 177.300 0.137 0.000 1.205 114 P CA -0.008 63.077 63.100 -0.025 0.000 0.771 114 P CB 1.113 32.764 31.700 -0.081 0.000 0.858 115 A N 2.407 125.287 122.820 0.100 0.000 2.066 115 A HA -0.044 4.269 4.320 -0.011 0.000 0.218 115 A C 0.966 178.597 177.584 0.078 0.000 1.157 115 A CA 1.473 53.637 52.037 0.211 0.000 0.670 115 A CB -0.570 18.499 19.000 0.115 0.000 0.804 115 A HN 0.609 nan 8.150 nan 0.000 0.453 116 N N -3.325 115.362 118.700 -0.022 0.000 3.116 116 N HA 0.482 5.215 4.740 -0.011 0.000 0.244 116 N C -0.776 174.681 175.510 -0.088 0.000 1.485 116 N CA 0.179 53.167 53.050 -0.102 0.000 0.884 116 N CB 0.820 39.227 38.487 -0.133 0.000 1.415 116 N HN 0.193 nan 8.380 nan 0.000 0.524 117 A N -0.605 122.163 122.820 -0.087 0.000 2.429 117 A HA 0.504 4.817 4.320 -0.011 0.000 0.242 117 A C 1.250 178.806 177.584 -0.047 0.000 1.088 117 A CA 1.091 53.102 52.037 -0.043 0.000 0.784 117 A CB -0.696 18.324 19.000 0.034 0.000 1.038 117 A HN 1.532 nan 8.150 nan 0.000 0.501 118 G N -1.021 107.755 108.800 -0.039 0.000 2.179 118 G HA2 -0.154 3.799 3.960 -0.011 0.000 0.220 118 G HA3 -0.154 3.799 3.960 -0.011 0.000 0.220 118 G C 0.598 175.460 174.900 -0.064 0.000 0.990 118 G CA 0.526 45.609 45.100 -0.027 0.000 0.646 118 G HN 1.012 nan 8.290 nan 0.000 0.517 119 L N 0.948 122.097 121.223 -0.123 0.000 2.131 119 L HA 0.507 4.840 4.340 -0.011 0.000 0.206 119 L C 1.782 178.625 176.870 -0.045 0.000 1.087 119 L CA 2.612 57.343 54.840 -0.182 0.000 0.767 119 L CB -0.326 41.470 42.059 -0.439 0.000 0.917 119 L HN 1.711 nan 8.230 nan 0.000 0.441 120 G N -1.081 107.676 108.800 -0.072 0.000 2.858 120 G HA2 -0.206 3.747 3.960 -0.011 0.000 0.266 120 G HA3 -0.206 3.747 3.960 -0.011 0.000 0.266 120 G C 0.574 175.498 174.900 0.039 0.000 1.023 120 G CA 0.332 45.407 45.100 -0.042 0.000 1.172 120 G HN 0.392 nan 8.290 nan 0.000 0.523 121 T N -2.668 111.849 114.554 -0.062 0.000 3.044 121 T HA 0.150 4.493 4.350 -0.011 0.000 0.250 121 T C 0.708 175.549 174.700 0.234 0.000 1.081 121 T CA 0.361 62.511 62.100 0.084 0.000 1.040 121 T CB 0.195 69.101 68.868 0.062 0.000 0.962 121 T HN 0.520 nan 8.240 nan 0.000 0.506 122 W N 4.973 126.293 121.300 0.034 0.000 1.518 122 W HA 0.503 5.156 4.660 -0.013 0.000 0.426 122 W C 0.616 177.125 176.519 -0.018 0.000 0.675 122 W CA -1.558 55.786 57.345 -0.001 0.000 1.936 122 W CB -1.172 28.281 29.460 -0.012 0.000 1.749 122 W HN 0.447 nan 8.180 nan 0.000 0.247 123 R N -1.723 118.887 120.500 0.185 0.000 2.733 123 R HA 0.447 4.780 4.340 -0.011 0.000 0.272 123 R C 0.825 177.149 176.300 0.040 0.000 1.029 123 R CA -0.369 55.781 56.100 0.083 0.000 0.888 123 R CB 0.624 30.960 30.300 0.059 0.000 1.251 123 R HN -0.061 nan 8.270 nan 0.000 0.464 124 T N -2.747 111.809 114.554 0.003 0.000 2.978 124 T HA 0.011 4.354 4.350 -0.011 0.000 0.262 124 T C 0.297 174.978 174.700 -0.031 0.000 1.063 124 T CA 1.083 63.172 62.100 -0.018 0.000 1.140 124 T CB -0.328 68.526 68.868 -0.023 0.000 0.886 124 T HN 0.721 nan 8.240 nan 0.000 0.470 125 E N -0.453 119.721 120.200 -0.043 0.000 2.416 125 E HA 0.655 4.998 4.350 -0.011 0.000 0.280 125 E C -1.713 174.797 176.600 -0.150 0.000 1.055 125 E CA -1.366 54.986 56.400 -0.079 0.000 0.825 125 E CB 1.219 30.877 29.700 -0.071 0.000 1.312 125 E HN 0.310 nan 8.360 nan 0.000 0.452 126 A N 0.656 123.314 122.820 -0.270 0.000 2.601 126 A HA 0.602 4.915 4.320 -0.011 0.000 0.291 126 A C -1.655 175.571 177.584 -0.596 0.000 1.075 126 A CA -0.641 51.083 52.037 -0.522 0.000 0.671 126 A CB 1.770 20.211 19.000 -0.932 0.000 1.277 126 A HN 0.395 nan 8.150 nan 0.000 0.417 127 V N 1.073 120.632 119.914 -0.593 0.000 2.417 127 V HA 0.715 4.828 4.120 -0.011 0.000 0.291 127 V C -1.224 174.594 176.094 -0.460 0.000 1.024 127 V CA -0.158 61.904 62.300 -0.396 0.000 0.861 127 V CB 0.842 32.554 31.823 -0.185 0.000 0.985 127 V HN 0.644 nan 8.190 nan 0.000 0.436 128 F N 1.478 121.429 119.950 0.002 0.000 2.577 128 F HA 0.530 5.050 4.527 -0.011 0.000 0.318 128 F C 0.606 176.410 175.800 0.006 0.000 1.065 128 F CA -0.968 57.034 58.000 0.003 0.000 0.929 128 F CB 2.006 41.010 39.000 0.007 0.000 1.237 128 F HN 0.415 nan 8.300 nan 0.000 0.468 129 S N 0.963 116.797 115.700 0.222 0.000 2.558 129 S HA 0.018 4.482 4.470 -0.011 0.000 0.288 129 S C 1.330 175.998 174.600 0.114 0.000 1.318 129 S CA 0.080 58.352 58.200 0.121 0.000 1.056 129 S CB 0.324 63.572 63.200 0.079 0.000 0.853 129 S HN 0.771 nan 8.310 nan 0.000 0.505 130 E N 2.965 123.213 120.200 0.081 0.000 2.160 130 E HA -0.231 4.113 4.350 -0.011 0.000 0.195 130 E C 1.196 177.827 176.600 0.053 0.000 0.991 130 E CA 1.649 58.090 56.400 0.069 0.000 0.810 130 E CB -0.302 29.429 29.700 0.051 0.000 0.742 130 E HN 0.873 nan 8.360 nan 0.000 0.466 131 E N 0.495 120.719 120.200 0.041 0.000 2.482 131 E HA 0.007 4.351 4.350 -0.011 0.000 0.196 131 E C 1.592 178.203 176.600 0.018 0.000 1.047 131 E CA 0.504 56.920 56.400 0.027 0.000 0.869 131 E CB 0.148 29.858 29.700 0.017 0.000 0.836 131 E HN 0.439 nan 8.360 nan 0.000 0.520 132 A N 0.691 123.520 122.820 0.013 0.000 2.251 132 A HA 0.174 4.487 4.320 -0.011 0.000 0.209 132 A C 0.661 178.213 177.584 -0.053 0.000 1.187 132 A CA 0.232 52.246 52.037 -0.038 0.000 0.823 132 A CB 0.100 19.053 19.000 -0.077 0.000 0.846 132 A HN 0.048 nan 8.150 nan 0.000 0.486 133 L N -0.042 121.185 121.223 0.006 0.000 2.371 133 L HA 0.569 4.902 4.340 -0.011 0.000 0.262 133 L C -1.052 175.843 176.870 0.041 0.000 1.006 133 L CA -0.851 54.002 54.840 0.020 0.000 0.818 133 L CB 2.109 44.200 42.059 0.053 0.000 1.354 133 L HN -0.022 nan 8.230 nan 0.000 0.415 134 I N 1.549 122.138 120.570 0.032 0.000 2.498 134 I HA 0.286 4.450 4.170 -0.011 0.000 0.290 134 I C -0.163 175.945 176.117 -0.015 0.000 1.032 134 I CA -0.408 60.884 61.300 -0.013 0.000 1.073 134 I CB 1.813 39.740 38.000 -0.123 0.000 1.251 134 I HN 0.720 nan 8.210 nan 0.000 0.426 135 Q N 4.858 124.653 119.800 -0.009 0.000 2.332 135 Q HA 0.450 4.783 4.340 -0.011 0.000 0.263 135 Q C -0.834 175.153 176.000 -0.021 0.000 0.979 135 Q CA -0.251 55.560 55.803 0.013 0.000 0.885 135 Q CB 1.351 30.096 28.738 0.012 0.000 1.218 135 Q HN 0.596 nan 8.270 nan 0.000 0.405 136 V N 1.212 121.142 119.914 0.027 0.000 2.960 136 V HA 0.714 4.827 4.120 -0.011 0.000 0.315 136 V C -2.653 173.426 176.094 -0.025 0.000 1.087 136 V CA -2.687 59.613 62.300 0.000 0.000 0.982 136 V CB 1.315 33.166 31.823 0.046 0.000 1.039 136 V HN 0.750 nan 8.190 nan 0.000 0.437 137 P HA 0.208 nan 4.420 nan 0.000 0.268 137 P C 0.418 177.489 177.300 -0.380 0.000 1.205 137 P CA 0.181 63.166 63.100 -0.190 0.000 0.771 137 P CB 0.742 32.355 31.700 -0.146 0.000 0.858 138 S N -0.434 114.846 115.700 -0.700 0.000 2.582 138 S HA 0.039 4.502 4.470 -0.011 0.000 0.234 138 S C 0.583 174.549 174.600 -1.056 0.000 0.961 138 S CA -0.254 56.992 58.200 -1.589 0.000 0.953 138 S CB -0.562 61.502 63.200 -1.894 0.000 0.800 138 S HN 0.495 nan 8.310 nan 0.000 0.471 139 D N 1.740 121.827 120.400 -0.522 0.000 2.424 139 D HA 0.173 4.806 4.640 -0.011 0.000 0.220 139 D C 0.572 176.782 176.300 -0.150 0.000 1.150 139 D CA -0.518 53.310 54.000 -0.286 0.000 0.831 139 D CB -0.287 40.406 40.800 -0.180 0.000 0.981 139 D HN 0.699 nan 8.370 nan 0.000 0.500 140 I N -3.505 116.991 120.570 -0.123 0.000 2.750 140 I HA 0.620 4.783 4.170 -0.011 0.000 0.308 140 I C -2.748 173.454 176.117 0.143 0.000 1.016 140 I CA -2.846 58.465 61.300 0.019 0.000 1.098 140 I CB 1.604 39.626 38.000 0.037 0.000 1.279 140 I HN -0.415 nan 8.210 nan 0.000 0.454 141 P HA 0.026 nan 4.420 nan 0.000 0.267 141 P C 0.508 177.951 177.300 0.239 0.000 1.200 141 P CA -0.264 62.943 63.100 0.178 0.000 0.772 141 P CB 0.649 32.417 31.700 0.113 0.000 0.855 142 L N 2.845 124.216 121.223 0.248 0.000 2.043 142 L HA -0.231 4.102 4.340 -0.011 0.000 0.212 142 L C 2.413 179.322 176.870 0.066 0.000 1.075 142 L CA 1.945 56.867 54.840 0.136 0.000 0.752 142 L CB -1.098 40.996 42.059 0.058 0.000 0.891 142 L HN 0.470 nan 8.230 nan 0.000 0.432 143 Q N -1.478 118.364 119.800 0.070 0.000 2.135 143 Q HA -0.203 4.131 4.340 -0.011 0.000 0.204 143 Q C 2.107 178.145 176.000 0.063 0.000 0.981 143 Q CA 1.995 57.828 55.803 0.050 0.000 0.856 143 Q CB 0.014 28.782 28.738 0.050 0.000 0.902 143 Q HN 0.579 nan 8.270 nan 0.000 0.425 144 S N 0.213 115.963 115.700 0.084 0.000 2.371 144 S HA -0.079 4.384 4.470 -0.011 0.000 0.224 144 S C 1.963 176.620 174.600 0.096 0.000 1.029 144 S CA 0.880 59.130 58.200 0.083 0.000 0.978 144 S CB -0.287 62.962 63.200 0.082 0.000 0.833 144 S HN 0.578 nan 8.310 nan 0.000 0.466 145 A N 1.623 124.528 122.820 0.141 0.000 1.933 145 A HA 0.086 4.399 4.320 -0.011 0.000 0.218 145 A C 2.312 179.946 177.584 0.084 0.000 1.175 145 A CA 1.688 53.821 52.037 0.160 0.000 0.628 145 A CB -1.018 18.164 19.000 0.303 0.000 0.814 145 A HN 0.514 nan 8.150 nan 0.000 0.444 146 A N -0.653 122.193 122.820 0.043 0.000 2.019 146 A HA -0.013 4.300 4.320 -0.011 0.000 0.219 146 A C 2.047 179.665 177.584 0.057 0.000 1.164 146 A CA 2.180 54.232 52.037 0.024 0.000 0.644 146 A CB -0.766 18.233 19.000 -0.002 0.000 0.805 146 A HN 0.837 nan 8.150 nan 0.000 0.449 147 T N -4.031 110.563 114.554 0.066 0.000 3.084 147 T HA 0.265 4.608 4.350 -0.011 0.000 0.270 147 T C 1.213 175.962 174.700 0.081 0.000 1.008 147 T CA 0.357 62.502 62.100 0.075 0.000 0.900 147 T CB 0.049 68.956 68.868 0.066 0.000 1.084 147 T HN 0.095 nan 8.240 nan 0.000 0.538 148 L N 2.374 123.647 121.223 0.083 0.000 2.093 148 L HA 0.391 4.724 4.340 -0.011 0.000 0.208 148 L C 2.296 179.235 176.870 0.116 0.000 1.085 148 L CA 2.009 56.897 54.840 0.079 0.000 0.755 148 L CB -0.973 41.124 42.059 0.064 0.000 0.904 148 L HN 0.397 nan 8.230 nan 0.000 0.435 149 G N -2.083 106.811 108.800 0.158 0.000 2.712 149 G HA2 0.075 4.029 3.960 -0.011 0.000 0.212 149 G HA3 0.075 4.029 3.960 -0.011 0.000 0.212 149 G C 1.058 176.096 174.900 0.231 0.000 1.142 149 G CA 0.864 46.136 45.100 0.287 0.000 0.789 149 G HN 0.329 nan 8.290 nan 0.000 0.535 150 V N 0.265 120.268 119.914 0.150 0.000 3.240 150 V HA 0.072 4.185 4.120 -0.011 0.000 0.218 150 V C 2.155 178.314 176.094 0.108 0.000 1.190 150 V CA 0.507 62.882 62.300 0.124 0.000 1.280 150 V CB -0.349 31.546 31.823 0.120 0.000 1.244 150 V HN 0.106 nan 8.190 nan 0.000 0.512 151 N N 1.374 120.131 118.700 0.095 0.000 2.058 151 N HA -0.083 4.650 4.740 -0.011 0.000 0.191 151 N C -0.772 174.760 175.510 0.037 0.000 1.037 151 N CA 2.079 55.172 53.050 0.071 0.000 0.848 151 N CB -1.559 36.971 38.487 0.073 0.000 1.021 151 N HN 0.404 nan 8.380 nan 0.000 0.422 152 P HA 0.063 nan 4.420 nan 0.000 0.221 152 P C 1.177 178.493 177.300 0.026 0.000 1.150 152 P CA 0.784 63.901 63.100 0.029 0.000 0.800 152 P CB -0.036 31.682 31.700 0.030 0.000 0.787 153 C N -0.369 118.953 119.300 0.036 0.000 2.446 153 C HA -0.078 4.375 4.460 -0.011 0.000 0.277 153 C C 2.888 177.861 174.990 -0.029 0.000 1.275 153 C CA 1.668 60.690 59.018 0.007 0.000 1.727 153 C CB -1.893 25.885 27.740 0.063 0.000 2.010 153 C HN 0.281 nan 8.230 nan 0.000 0.486 154 T N 1.157 115.722 114.554 0.019 0.000 2.708 154 T HA -0.125 4.218 4.350 -0.011 0.000 0.266 154 T C 2.129 176.697 174.700 -0.220 0.000 1.037 154 T CA 1.686 63.792 62.100 0.010 0.000 1.146 154 T CB -0.462 68.454 68.868 0.080 0.000 0.865 154 T HN 0.633 nan 8.240 nan 0.000 0.435 155 A N 0.514 123.235 122.820 -0.166 0.000 1.883 155 A HA -0.157 4.156 4.320 -0.011 0.000 0.217 155 A C 2.107 179.605 177.584 -0.144 0.000 1.186 155 A CA 1.855 53.786 52.037 -0.178 0.000 0.624 155 A CB -1.157 17.791 19.000 -0.087 0.000 0.822 155 A HN 0.612 nan 8.150 nan 0.000 0.444 156 Y N 0.283 120.461 120.300 -0.203 0.000 2.145 156 Y HA -0.197 4.347 4.550 -0.012 0.000 0.286 156 Y C 2.645 178.381 175.900 -0.274 0.000 1.145 156 Y CA 2.009 59.994 58.100 -0.193 0.000 1.148 156 Y CB -0.110 38.255 38.460 -0.158 0.000 0.981 156 Y HN 0.170 nan 8.280 nan 0.000 0.507 157 R N -0.199 120.174 120.500 -0.211 0.000 2.091 157 R HA -0.194 4.140 4.340 -0.011 0.000 0.238 157 R C 2.243 178.230 176.300 -0.521 0.000 1.136 157 R CA 1.984 57.804 56.100 -0.468 0.000 0.959 157 R CB -0.696 29.160 30.300 -0.740 0.000 0.856 157 R HN 0.481 nan 8.270 nan 0.000 0.437 158 M N 0.399 119.663 119.600 -0.560 0.000 2.229 158 M HA -0.100 4.374 4.480 -0.011 0.000 0.264 158 M C 2.266 178.494 176.300 -0.121 0.000 1.063 158 M CA 1.324 56.446 55.300 -0.296 0.000 1.114 158 M CB -0.231 32.139 32.600 -0.384 0.000 1.387 158 M HN 0.073 nan 8.290 nan 0.000 0.420 159 L N -0.555 120.534 121.223 -0.224 0.000 2.201 159 L HA -0.159 4.174 4.340 -0.011 0.000 0.212 159 L C 2.400 179.146 176.870 -0.206 0.000 1.105 159 L CA 0.626 55.349 54.840 -0.195 0.000 0.775 159 L CB -0.297 41.617 42.059 -0.243 0.000 0.913 159 L HN 0.375 nan 8.230 nan 0.000 0.440 160 M N -1.601 117.824 119.600 -0.291 0.000 2.534 160 M HA 0.018 4.491 4.480 -0.011 0.000 0.263 160 M C 1.018 177.216 176.300 -0.169 0.000 1.152 160 M CA 1.065 56.205 55.300 -0.268 0.000 1.145 160 M CB -0.474 31.897 32.600 -0.382 0.000 1.333 160 M HN 0.047 nan 8.290 nan 0.000 0.477 161 D N -0.769 119.514 120.400 -0.194 0.000 2.360 161 D HA 0.136 4.769 4.640 -0.011 0.000 0.210 161 D C 1.329 177.323 176.300 -0.511 0.000 1.047 161 D CA 0.554 54.349 54.000 -0.343 0.000 0.854 161 D CB 0.289 40.786 40.800 -0.506 0.000 0.936 161 D HN 0.216 nan 8.370 nan 0.000 0.514 162 F N 0.287 120.206 119.950 -0.053 0.000 2.577 162 F HA 0.261 4.783 4.527 -0.008 0.000 0.276 162 F C 0.897 176.685 175.800 -0.019 0.000 1.032 162 F CA 0.071 58.060 58.000 -0.019 0.000 1.297 162 F CB 0.908 39.894 39.000 -0.023 0.000 1.061 162 F HN -0.354 nan 8.300 nan 0.000 0.680 163 E N 0.772 121.057 120.200 0.141 0.000 2.293 163 E HA 0.234 4.577 4.350 -0.011 0.000 0.270 163 E C -1.262 175.349 176.600 0.018 0.000 0.879 163 E CA -0.739 55.701 56.400 0.067 0.000 0.756 163 E CB 2.103 31.836 29.700 0.055 0.000 1.208 163 E HN -0.107 nan 8.360 nan 0.000 0.428 164 Q N 2.713 122.518 119.800 0.007 0.000 2.307 164 Q HA 0.301 4.634 4.340 -0.011 0.000 0.261 164 Q C -1.291 174.704 176.000 -0.009 0.000 1.051 164 Q CA 0.205 56.003 55.803 -0.008 0.000 0.911 164 Q CB 0.061 28.797 28.738 -0.003 0.000 1.227 164 Q HN 0.415 nan 8.270 nan 0.000 0.418 165 L N 4.138 125.348 121.223 -0.021 0.000 2.342 165 L HA 0.567 4.900 4.340 -0.011 0.000 0.271 165 L C -0.178 176.680 176.870 -0.019 0.000 1.008 165 L CA -0.911 53.917 54.840 -0.018 0.000 0.818 165 L CB 1.974 44.017 42.059 -0.026 0.000 1.296 165 L HN 0.703 nan 8.230 nan 0.000 0.427 166 Q N 1.487 121.282 119.800 -0.009 0.000 2.458 166 Q HA 0.626 4.959 4.340 -0.011 0.000 0.282 166 Q C -2.790 173.210 176.000 -0.000 0.000 1.106 166 Q CA -2.362 53.437 55.803 -0.006 0.000 0.814 166 Q CB 1.838 30.575 28.738 -0.001 0.000 1.425 166 Q HN 0.205 nan 8.270 nan 0.000 0.437 167 P HA -0.003 nan 4.420 nan 0.000 0.261 167 P C 0.456 177.763 177.300 0.013 0.000 1.173 167 P CA 2.105 65.209 63.100 0.006 0.000 0.760 167 P CB 0.338 32.042 31.700 0.006 0.000 0.783 168 G N 1.847 110.659 108.800 0.019 0.000 2.213 168 G HA2 -0.184 3.769 3.960 -0.011 0.000 0.236 168 G HA3 -0.184 3.769 3.960 -0.011 0.000 0.236 168 G C 0.038 174.960 174.900 0.037 0.000 0.991 168 G CA -0.292 44.825 45.100 0.029 0.000 0.629 168 G HN 0.497 nan 8.290 nan 0.000 0.517 169 D N 1.155 121.572 120.400 0.028 0.000 2.357 169 D HA 0.534 5.167 4.640 -0.011 0.000 0.242 169 D C 0.975 177.304 176.300 0.048 0.000 1.153 169 D CA 0.833 54.852 54.000 0.031 0.000 0.918 169 D CB 1.415 42.224 40.800 0.015 0.000 1.181 169 D HN 0.579 nan 8.370 nan 0.000 0.435 170 S N -0.474 115.263 115.700 0.063 0.000 2.638 170 S HA 0.749 5.213 4.470 -0.011 0.000 0.298 170 S C -0.414 174.227 174.600 0.068 0.000 1.111 170 S CA -0.759 57.499 58.200 0.097 0.000 1.027 170 S CB 1.600 64.902 63.200 0.170 0.000 1.064 170 S HN 0.177 nan 8.310 nan 0.000 0.525 171 V N 1.855 121.816 119.914 0.079 0.000 2.760 171 V HA 0.551 4.664 4.120 -0.011 0.000 0.309 171 V C -0.691 175.446 176.094 0.072 0.000 1.077 171 V CA -0.737 61.592 62.300 0.049 0.000 0.910 171 V CB 1.782 33.617 31.823 0.020 0.000 1.008 171 V HN 0.998 nan 8.190 nan 0.000 0.424 172 I N 4.021 124.624 120.570 0.054 0.000 2.493 172 I HA 0.698 4.862 4.170 -0.011 0.000 0.298 172 I C -0.548 175.588 176.117 0.033 0.000 0.998 172 I CA -0.170 61.162 61.300 0.053 0.000 1.137 172 I CB 1.821 39.853 38.000 0.055 0.000 1.310 172 I HN 0.955 nan 8.210 nan 0.000 0.445 173 Q N 4.595 124.415 119.800 0.034 0.000 2.462 173 Q HA 0.488 4.821 4.340 -0.011 0.000 0.285 173 Q C -1.843 174.178 176.000 0.036 0.000 1.035 173 Q CA -1.045 54.784 55.803 0.045 0.000 0.799 173 Q CB 1.885 30.661 28.738 0.064 0.000 1.452 173 Q HN 0.674 nan 8.270 nan 0.000 0.404 174 N N 0.037 118.761 118.700 0.040 0.000 2.741 174 N HA 0.588 5.321 4.740 -0.011 0.000 0.310 174 N C -0.319 175.216 175.510 0.042 0.000 1.295 174 N CA -0.171 52.892 53.050 0.022 0.000 0.893 174 N CB 0.772 39.253 38.487 -0.010 0.000 1.247 174 N HN 1.182 nan 8.380 nan 0.000 0.596 175 A N -1.274 121.556 122.820 0.016 0.000 2.745 175 A HA -0.198 4.115 4.320 -0.011 0.000 0.296 175 A C 1.115 178.737 177.584 0.063 0.000 1.500 175 A CA 0.995 53.046 52.037 0.023 0.000 0.766 175 A CB -2.547 16.460 19.000 0.012 0.000 1.030 175 A HN 0.619 nan 8.150 nan 0.000 0.489 176 S N -0.614 115.119 115.700 0.056 0.000 2.447 176 S HA -0.113 4.350 4.470 -0.011 0.000 0.233 176 S C 1.525 176.162 174.600 0.060 0.000 1.006 176 S CA 1.310 59.547 58.200 0.062 0.000 0.957 176 S CB -0.227 63.005 63.200 0.053 0.000 0.773 176 S HN 0.887 nan 8.310 nan 0.000 0.507 177 N N 1.699 120.434 118.700 0.058 0.000 2.336 177 N HA 0.045 4.779 4.740 -0.011 0.000 0.189 177 N C 0.541 176.087 175.510 0.059 0.000 1.113 177 N CA 0.050 53.136 53.050 0.060 0.000 0.858 177 N CB 0.044 38.574 38.487 0.071 0.000 0.970 177 N HN 0.393 nan 8.380 nan 0.000 0.471 178 S N -2.114 113.624 115.700 0.063 0.000 2.617 178 S HA 0.320 4.783 4.470 -0.011 0.000 0.259 178 S C 1.683 176.330 174.600 0.078 0.000 1.301 178 S CA -0.192 58.050 58.200 0.070 0.000 0.984 178 S CB 0.731 63.986 63.200 0.092 0.000 0.954 178 S HN 0.184 nan 8.310 nan 0.000 0.572 179 G N 0.049 108.898 108.800 0.081 0.000 2.446 179 G HA2 -0.157 3.796 3.960 -0.011 0.000 0.217 179 G HA3 -0.157 3.796 3.960 -0.011 0.000 0.217 179 G C 1.239 176.180 174.900 0.067 0.000 1.168 179 G CA 0.942 46.086 45.100 0.073 0.000 0.771 179 G HN 0.629 nan 8.290 nan 0.000 0.551 180 V N 1.513 121.479 119.914 0.088 0.000 2.343 180 V HA -0.065 4.048 4.120 -0.011 0.000 0.247 180 V C 3.134 179.235 176.094 0.011 0.000 1.051 180 V CA 2.015 64.328 62.300 0.021 0.000 1.036 180 V CB -1.049 30.756 31.823 -0.031 0.000 0.654 180 V HN 0.452 nan 8.190 nan 0.000 0.451 181 G N -1.205 107.641 108.800 0.077 0.000 2.418 181 G HA2 -0.251 3.702 3.960 -0.011 0.000 0.217 181 G HA3 -0.251 3.702 3.960 -0.011 0.000 0.217 181 G C 1.507 176.432 174.900 0.041 0.000 1.158 181 G CA 0.665 45.806 45.100 0.068 0.000 0.771 181 G HN 0.538 nan 8.290 nan 0.000 0.545 182 Q N 0.063 119.890 119.800 0.044 0.000 2.119 182 Q HA 0.057 4.390 4.340 -0.011 0.000 0.201 182 Q C 2.990 179.007 176.000 0.027 0.000 0.972 182 Q CA 1.029 56.855 55.803 0.037 0.000 0.847 182 Q CB -0.191 28.572 28.738 0.042 0.000 0.903 182 Q HN 0.487 nan 8.270 nan 0.000 0.433 183 A N 0.344 123.177 122.820 0.022 0.000 1.930 183 A HA -0.111 4.202 4.320 -0.011 0.000 0.217 183 A C 2.317 179.903 177.584 0.003 0.000 1.175 183 A CA 1.020 53.066 52.037 0.015 0.000 0.627 183 A CB -0.603 18.404 19.000 0.012 0.000 0.815 183 A HN 0.191 nan 8.150 nan 0.000 0.443 184 V N 0.319 120.223 119.914 -0.017 0.000 2.287 184 V HA -0.306 3.807 4.120 -0.011 0.000 0.248 184 V C 2.430 178.521 176.094 -0.005 0.000 1.053 184 V CA 2.190 64.472 62.300 -0.031 0.000 1.027 184 V CB -0.680 31.116 31.823 -0.044 0.000 0.646 184 V HN 0.590 nan 8.190 nan 0.000 0.447 185 I N -0.471 120.106 120.570 0.010 0.000 2.151 185 I HA -0.361 3.803 4.170 -0.011 0.000 0.243 185 I C 2.685 178.812 176.117 0.016 0.000 1.080 185 I CA 1.876 63.187 61.300 0.018 0.000 1.339 185 I CB -0.366 37.649 38.000 0.026 0.000 1.039 185 I HN 0.399 nan 8.210 nan 0.000 0.409 186 Q N 0.196 120.007 119.800 0.019 0.000 2.083 186 Q HA -0.111 4.222 4.340 -0.011 0.000 0.198 186 Q C 2.349 178.364 176.000 0.024 0.000 0.969 186 Q CA 1.315 57.131 55.803 0.022 0.000 0.838 186 Q CB 0.019 28.772 28.738 0.025 0.000 0.900 186 Q HN 0.541 nan 8.270 nan 0.000 0.436 187 I N 0.552 121.138 120.570 0.027 0.000 2.286 187 I HA -0.205 3.958 4.170 -0.011 0.000 0.245 187 I C 2.398 178.520 176.117 0.010 0.000 1.104 187 I CA 0.769 62.092 61.300 0.039 0.000 1.397 187 I CB -0.329 37.711 38.000 0.067 0.000 1.072 187 I HN 0.129 nan 8.210 nan 0.000 0.417 188 A N 0.886 123.702 122.820 -0.006 0.000 1.940 188 A HA -0.191 4.122 4.320 -0.011 0.000 0.219 188 A C 2.540 180.125 177.584 0.001 0.000 1.176 188 A CA 1.910 53.939 52.037 -0.013 0.000 0.631 188 A CB -0.796 18.200 19.000 -0.007 0.000 0.814 188 A HN 0.431 nan 8.150 nan 0.000 0.446 189 A N -0.126 122.700 122.820 0.009 0.000 1.877 189 A HA 0.149 4.462 4.320 -0.011 0.000 0.216 189 A C 2.491 180.082 177.584 0.012 0.000 1.186 189 A CA 2.096 54.140 52.037 0.011 0.000 0.620 189 A CB -1.018 17.989 19.000 0.012 0.000 0.822 189 A HN 1.113 nan 8.150 nan 0.000 0.443 190 A N -0.623 122.207 122.820 0.017 0.000 2.015 190 A HA 0.075 4.388 4.320 -0.011 0.000 0.219 190 A C 1.953 179.548 177.584 0.017 0.000 1.163 190 A CA 1.265 53.315 52.037 0.021 0.000 0.646 190 A CB -0.490 18.530 19.000 0.034 0.000 0.806 190 A HN 0.467 nan 8.150 nan 0.000 0.448 191 L N -1.251 119.977 121.223 0.007 0.000 2.554 191 L HA 0.166 4.500 4.340 -0.011 0.000 0.226 191 L C 1.637 178.505 176.870 -0.003 0.000 1.137 191 L CA 0.536 55.373 54.840 -0.005 0.000 0.863 191 L CB -0.201 41.837 42.059 -0.034 0.000 0.985 191 L HN 0.559 nan 8.230 nan 0.000 0.451 192 G N 0.457 109.259 108.800 0.004 0.000 2.147 192 G HA2 -0.258 3.695 3.960 -0.011 0.000 0.244 192 G HA3 -0.258 3.695 3.960 -0.011 0.000 0.244 192 G C 0.141 175.047 174.900 0.010 0.000 1.005 192 G CA -0.124 44.980 45.100 0.007 0.000 0.713 192 G HN 0.223 nan 8.290 nan 0.000 0.515 193 L N -0.602 120.627 121.223 0.009 0.000 2.421 193 L HA 0.624 4.957 4.340 -0.011 0.000 0.263 193 L C 1.046 177.936 176.870 0.033 0.000 1.122 193 L CA -0.905 53.945 54.840 0.017 0.000 0.804 193 L CB 0.891 42.953 42.059 0.005 0.000 1.150 193 L HN 0.073 nan 8.230 nan 0.000 0.457 194 R N 0.715 121.249 120.500 0.056 0.000 2.246 194 R HA 0.328 4.661 4.340 -0.011 0.000 0.332 194 R C -0.602 175.768 176.300 0.116 0.000 0.974 194 R CA -0.489 55.662 56.100 0.085 0.000 0.837 194 R CB 1.325 31.693 30.300 0.113 0.000 1.145 194 R HN 0.637 nan 8.270 nan 0.000 0.467 195 T N 0.473 115.091 114.554 0.106 0.000 2.837 195 T HA 0.537 4.880 4.350 -0.011 0.000 0.285 195 T C 0.302 175.111 174.700 0.181 0.000 0.984 195 T CA -0.716 61.453 62.100 0.115 0.000 1.049 195 T CB 1.057 69.967 68.868 0.070 0.000 0.947 195 T HN 0.340 nan 8.240 nan 0.000 0.472 196 I N 3.534 124.210 120.570 0.177 0.000 2.354 196 I HA 0.321 4.484 4.170 -0.011 0.000 0.286 196 I C -0.120 176.047 176.117 0.082 0.000 1.007 196 I CA -0.752 60.651 61.300 0.172 0.000 1.167 196 I CB 0.897 38.974 38.000 0.128 0.000 1.320 196 I HN 0.605 nan 8.210 nan 0.000 0.458 197 N N 6.535 125.284 118.700 0.082 0.000 2.479 197 N HA 0.327 5.060 4.740 -0.011 0.000 0.261 197 N C -0.764 174.764 175.510 0.030 0.000 0.979 197 N CA -0.385 52.698 53.050 0.054 0.000 0.930 197 N CB 2.552 41.078 38.487 0.064 0.000 1.172 197 N HN 0.178 nan 8.380 nan 0.000 0.499 198 V N 2.283 122.203 119.914 0.010 0.000 2.546 198 V HA 0.389 4.502 4.120 -0.011 0.000 0.284 198 V C 0.619 176.724 176.094 0.017 0.000 1.050 198 V CA -0.603 61.694 62.300 -0.005 0.000 0.981 198 V CB 1.354 33.162 31.823 -0.025 0.000 0.990 198 V HN 0.417 nan 8.190 nan 0.000 0.474 199 V N 2.487 122.415 119.914 0.024 0.000 3.040 199 V HA 0.669 4.782 4.120 -0.011 0.000 0.312 199 V C -0.201 175.923 176.094 0.051 0.000 1.115 199 V CA -1.422 60.904 62.300 0.043 0.000 0.998 199 V CB 1.873 33.733 31.823 0.062 0.000 1.042 199 V HN 0.765 nan 8.190 nan 0.000 0.433 200 R N 1.484 122.028 120.500 0.074 0.000 2.590 200 R HA 0.208 4.541 4.340 -0.011 0.000 0.274 200 R C -0.354 176.027 176.300 0.135 0.000 1.061 200 R CA -0.218 55.946 56.100 0.106 0.000 1.081 200 R CB 0.147 30.537 30.300 0.149 0.000 0.984 200 R HN 0.800 nan 8.270 nan 0.000 0.448 201 D N 3.502 123.964 120.400 0.103 0.000 2.488 201 D HA -0.009 4.625 4.640 -0.011 0.000 0.238 201 D C 0.443 176.791 176.300 0.081 0.000 1.138 201 D CA 0.893 54.938 54.000 0.075 0.000 0.873 201 D CB 0.692 41.521 40.800 0.050 0.000 1.183 201 D HN 0.454 nan 8.370 nan 0.000 0.458 202 R N 1.083 121.595 120.500 0.020 0.000 2.680 202 R HA 0.505 4.838 4.340 -0.011 0.000 0.269 202 R C -3.307 172.951 176.300 -0.071 0.000 1.026 202 R CA -1.649 54.407 56.100 -0.073 0.000 0.889 202 R CB 0.790 31.017 30.300 -0.122 0.000 1.241 202 R HN -0.010 nan 8.270 nan 0.000 0.463 203 P HA 0.102 nan 4.420 nan 0.000 0.268 203 P C -0.987 176.278 177.300 -0.058 0.000 1.204 203 P CA 0.556 63.612 63.100 -0.073 0.000 0.768 203 P CB 0.346 31.994 31.700 -0.087 0.000 0.842 204 D N 1.678 122.057 120.400 -0.034 0.000 2.848 204 D HA -0.180 4.453 4.640 -0.011 0.000 0.245 204 D C 0.283 176.575 176.300 -0.013 0.000 1.122 204 D CA 0.209 54.196 54.000 -0.022 0.000 0.769 204 D CB -1.115 39.670 40.800 -0.026 0.000 1.025 204 D HN 0.250 nan 8.370 nan 0.000 0.423 205 I N 1.217 121.785 120.570 -0.004 0.000 2.617 205 I HA -0.115 4.049 4.170 -0.011 0.000 0.256 205 I C 2.168 178.295 176.117 0.017 0.000 1.167 205 I CA 1.241 62.547 61.300 0.011 0.000 1.469 205 I CB -0.044 37.966 38.000 0.017 0.000 1.098 205 I HN 0.314 nan 8.210 nan 0.000 0.436 206 Q N 1.223 121.030 119.800 0.012 0.000 2.096 206 Q HA -0.292 4.041 4.340 -0.011 0.000 0.204 206 Q C 2.266 178.275 176.000 0.015 0.000 0.982 206 Q CA 2.188 57.999 55.803 0.014 0.000 0.850 206 Q CB -0.386 28.358 28.738 0.009 0.000 0.901 206 Q HN 0.525 nan 8.270 nan 0.000 0.422 207 K N -0.803 119.604 120.400 0.011 0.000 2.057 207 K HA -0.156 4.157 4.320 -0.011 0.000 0.207 207 K C 1.956 178.568 176.600 0.019 0.000 1.049 207 K CA 1.286 57.581 56.287 0.012 0.000 0.931 207 K CB -0.321 32.184 32.500 0.008 0.000 0.714 207 K HN 0.291 nan 8.250 nan 0.000 0.440 208 L N 0.738 121.975 121.223 0.024 0.000 2.046 208 L HA -0.137 4.196 4.340 -0.011 0.000 0.208 208 L C 2.284 179.175 176.870 0.035 0.000 1.077 208 L CA 2.074 56.934 54.840 0.035 0.000 0.747 208 L CB -0.936 41.150 42.059 0.046 0.000 0.896 208 L HN 0.205 nan 8.230 nan 0.000 0.432 209 S N -0.771 114.949 115.700 0.033 0.000 2.356 209 S HA -0.206 4.257 4.470 -0.011 0.000 0.223 209 S C 1.743 176.359 174.600 0.027 0.000 1.032 209 S CA 1.495 59.716 58.200 0.035 0.000 1.005 209 S CB -0.519 62.702 63.200 0.036 0.000 0.867 209 S HN 0.610 nan 8.310 nan 0.000 0.449 210 D N 0.903 121.316 120.400 0.021 0.000 2.133 210 D HA -0.136 4.498 4.640 -0.011 0.000 0.195 210 D C 2.130 178.440 176.300 0.017 0.000 0.997 210 D CA 1.125 55.135 54.000 0.016 0.000 0.840 210 D CB -0.427 40.381 40.800 0.013 0.000 0.947 210 D HN 0.457 nan 8.370 nan 0.000 0.452 211 R N 0.213 120.725 120.500 0.021 0.000 2.081 211 R HA -0.032 4.301 4.340 -0.011 0.000 0.235 211 R C 2.410 178.725 176.300 0.025 0.000 1.131 211 R CA 0.744 56.858 56.100 0.023 0.000 0.960 211 R CB -0.198 30.119 30.300 0.027 0.000 0.856 211 R HN 0.179 nan 8.270 nan 0.000 0.436 212 L N 0.435 121.675 121.223 0.028 0.000 2.109 212 L HA -0.116 4.217 4.340 -0.011 0.000 0.207 212 L C 2.327 179.210 176.870 0.022 0.000 1.086 212 L CA 1.295 56.153 54.840 0.030 0.000 0.760 212 L CB -0.316 41.766 42.059 0.038 0.000 0.910 212 L HN 0.175 nan 8.230 nan 0.000 0.437 213 K N -0.357 120.053 120.400 0.017 0.000 2.148 213 K HA -0.085 4.228 4.320 -0.011 0.000 0.204 213 K C 2.193 178.796 176.600 0.004 0.000 1.050 213 K CA 1.168 57.458 56.287 0.005 0.000 0.942 213 K CB -0.095 32.404 32.500 -0.002 0.000 0.724 213 K HN 0.109 nan 8.250 nan 0.000 0.446 214 S N 1.217 116.923 115.700 0.009 0.000 2.474 214 S HA 0.016 4.479 4.470 -0.011 0.000 0.235 214 S C 1.566 176.173 174.600 0.012 0.000 0.997 214 S CA 0.703 58.909 58.200 0.009 0.000 0.949 214 S CB -0.028 63.179 63.200 0.012 0.000 0.766 214 S HN 0.222 nan 8.310 nan 0.000 0.517 215 L N -0.018 121.214 121.223 0.015 0.000 2.558 215 L HA 0.242 4.575 4.340 -0.011 0.000 0.225 215 L C 1.657 178.535 176.870 0.014 0.000 1.128 215 L CA 0.482 55.332 54.840 0.017 0.000 0.868 215 L CB -0.109 41.963 42.059 0.022 0.000 1.006 215 L HN 0.472 nan 8.230 nan 0.000 0.454 216 G N -0.207 108.598 108.800 0.009 0.000 2.168 216 G HA2 -0.187 3.766 3.960 -0.011 0.000 0.197 216 G HA3 -0.187 3.766 3.960 -0.011 0.000 0.197 216 G C 0.362 175.263 174.900 0.002 0.000 0.997 216 G CA -0.211 44.892 45.100 0.004 0.000 0.658 216 G HN 0.392 nan 8.290 nan 0.000 0.513 217 A N 0.336 123.160 122.820 0.006 0.000 2.520 217 A HA 0.594 4.907 4.320 -0.011 0.000 0.245 217 A C 1.129 178.700 177.584 -0.021 0.000 1.072 217 A CA 1.338 53.382 52.037 0.011 0.000 0.761 217 A CB 0.400 19.416 19.000 0.026 0.000 1.004 217 A HN 0.593 nan 8.150 nan 0.000 0.499 218 E N 1.493 121.675 120.200 -0.029 0.000 2.033 218 E HA -0.067 4.276 4.350 -0.011 0.000 0.189 218 E C -0.077 176.332 176.600 -0.318 0.000 0.979 218 E CA 0.756 57.060 56.400 -0.160 0.000 0.802 218 E CB 0.025 29.649 29.700 -0.126 0.000 0.763 218 E HN 0.833 nan 8.360 nan 0.000 0.449 219 H N -0.765 118.361 119.070 0.094 0.000 2.637 219 H HA 0.428 4.977 4.556 -0.011 0.000 0.363 219 H C -1.191 174.191 175.328 0.090 0.000 1.131 219 H CA -0.722 55.400 56.048 0.123 0.000 1.183 219 H CB 2.008 31.928 29.762 0.263 0.000 1.637 219 H HN -0.087 nan 8.280 nan 0.000 0.531 220 V N 4.907 124.940 119.914 0.198 0.000 2.525 220 V HA 0.364 4.477 4.120 -0.011 0.000 0.299 220 V C 0.091 176.245 176.094 0.099 0.000 1.034 220 V CA -0.671 61.698 62.300 0.114 0.000 0.863 220 V CB 1.721 33.590 31.823 0.077 0.000 0.999 220 V HN 0.615 nan 8.190 nan 0.000 0.423 221 I N 1.648 122.249 120.570 0.051 0.000 2.828 221 I HA 0.876 5.039 4.170 -0.011 0.000 0.302 221 I C 0.209 176.327 176.117 0.001 0.000 1.101 221 I CA -0.566 60.743 61.300 0.016 0.000 1.031 221 I CB 2.634 40.598 38.000 -0.060 0.000 1.231 221 I HN 0.610 nan 8.210 nan 0.000 0.427 222 T N -0.431 114.126 114.554 0.004 0.000 2.847 222 T HA 0.332 4.675 4.350 -0.011 0.000 0.279 222 T C 0.813 175.508 174.700 -0.009 0.000 0.984 222 T CA -0.434 61.672 62.100 0.010 0.000 0.988 222 T CB 1.397 70.277 68.868 0.019 0.000 1.040 222 T HN 0.708 nan 8.240 nan 0.000 0.528 223 E N 0.331 120.532 120.200 0.001 0.000 2.118 223 E HA -0.183 4.160 4.350 -0.011 0.000 0.195 223 E C 1.909 178.502 176.600 -0.012 0.000 0.992 223 E CA 1.582 57.976 56.400 -0.009 0.000 0.804 223 E CB -0.229 29.472 29.700 0.001 0.000 0.741 223 E HN 0.864 nan 8.360 nan 0.000 0.458 224 E N 1.535 121.734 120.200 -0.002 0.000 2.077 224 E HA -0.189 4.154 4.350 -0.011 0.000 0.193 224 E C 1.770 178.364 176.600 -0.010 0.000 0.989 224 E CA 1.526 57.925 56.400 -0.003 0.000 0.800 224 E CB -0.065 29.638 29.700 0.005 0.000 0.746 224 E HN 0.291 nan 8.360 nan 0.000 0.452 225 E N -0.235 119.957 120.200 -0.014 0.000 2.110 225 E HA -0.180 4.163 4.350 -0.011 0.000 0.193 225 E C 2.063 178.630 176.600 -0.054 0.000 0.988 225 E CA 1.019 57.406 56.400 -0.023 0.000 0.804 225 E CB -0.245 29.447 29.700 -0.015 0.000 0.745 225 E HN 0.228 nan 8.360 nan 0.000 0.458 226 L N 1.702 122.881 121.223 -0.073 0.000 2.042 226 L HA -0.197 4.136 4.340 -0.011 0.000 0.210 226 L C 2.200 179.036 176.870 -0.056 0.000 1.076 226 L CA 1.881 56.662 54.840 -0.097 0.000 0.749 226 L CB -0.181 41.828 42.059 -0.083 0.000 0.893 226 L HN 0.017 nan 8.230 nan 0.000 0.432 227 R N 0.007 120.487 120.500 -0.032 0.000 2.334 227 R HA 0.097 4.430 4.340 -0.011 0.000 0.216 227 R C 0.550 176.845 176.300 -0.007 0.000 0.905 227 R CA -0.282 55.809 56.100 -0.016 0.000 1.064 227 R CB -0.314 29.979 30.300 -0.011 0.000 1.046 227 R HN 0.387 nan 8.270 nan 0.000 0.508 228 R N 0.604 121.100 120.500 -0.008 0.000 2.500 228 R HA 0.376 4.710 4.340 -0.011 0.000 0.277 228 R C -1.992 174.312 176.300 0.007 0.000 1.026 228 R CA -1.887 54.214 56.100 0.000 0.000 1.058 228 R CB 0.585 30.886 30.300 0.001 0.000 1.078 228 R HN -0.217 nan 8.270 nan 0.000 0.509 229 P HA -0.276 nan 4.420 nan 0.000 0.218 229 P C 1.164 178.478 177.300 0.024 0.000 1.152 229 P CA 1.355 64.466 63.100 0.018 0.000 0.857 229 P CB 0.038 31.747 31.700 0.015 0.000 0.787 230 E N -1.129 119.083 120.200 0.021 0.000 2.267 230 E HA -0.225 4.118 4.350 -0.011 0.000 0.197 230 E C 1.850 178.475 176.600 0.042 0.000 0.998 230 E CA 1.155 57.570 56.400 0.026 0.000 0.830 230 E CB -1.023 28.690 29.700 0.022 0.000 0.751 230 E HN 0.158 nan 8.360 nan 0.000 0.491 231 M N 0.755 120.375 119.600 0.033 0.000 2.279 231 M HA -0.056 4.418 4.480 -0.011 0.000 0.264 231 M C 2.242 178.593 176.300 0.085 0.000 1.062 231 M CA 2.390 57.708 55.300 0.030 0.000 1.099 231 M CB -0.506 32.077 32.600 -0.028 0.000 1.394 231 M HN 0.259 nan 8.290 nan 0.000 0.426 232 K N -0.115 120.335 120.400 0.084 0.000 2.281 232 K HA -0.046 4.267 4.320 -0.011 0.000 0.203 232 K C 1.511 178.189 176.600 0.129 0.000 1.046 232 K CA 1.877 58.233 56.287 0.114 0.000 0.938 232 K CB -2.251 30.294 32.500 0.075 0.000 0.737 232 K HN 0.817 nan 8.250 nan 0.000 0.458 233 N N -0.638 118.113 118.700 0.085 0.000 2.230 233 N HA 0.238 4.972 4.740 -0.011 0.000 0.202 233 N C 1.393 176.898 175.510 -0.009 0.000 1.119 233 N CA 0.334 53.413 53.050 0.049 0.000 0.851 233 N CB -0.526 37.969 38.487 0.015 0.000 0.990 233 N HN 0.445 nan 8.380 nan 0.000 0.497 234 F N 0.097 119.915 119.950 -0.219 0.000 2.269 234 F HA 0.149 4.671 4.527 -0.008 0.000 0.301 234 F C 0.396 175.814 175.800 -0.636 0.000 1.082 234 F CA 1.123 58.806 58.000 -0.528 0.000 1.360 234 F CB -0.002 38.501 39.000 -0.829 0.000 1.041 234 F HN 0.294 nan 8.300 nan 0.000 0.512 235 F N 1.339 121.314 119.950 0.043 0.000 2.916 235 F HA 0.218 4.737 4.527 -0.013 0.000 0.294 235 F C 0.176 175.951 175.800 -0.042 0.000 1.189 235 F CA -0.611 57.392 58.000 0.005 0.000 1.369 235 F CB -0.424 38.627 39.000 0.086 0.000 0.961 235 F HN -0.376 nan 8.300 nan 0.000 0.508 236 K N 0.555 120.941 120.400 -0.023 0.000 2.201 236 K HA 0.186 4.499 4.320 -0.011 0.000 0.278 236 K C 0.350 176.909 176.600 -0.067 0.000 1.027 236 K CA -0.160 56.111 56.287 -0.026 0.000 0.909 236 K CB 1.373 33.843 32.500 -0.049 0.000 1.062 236 K HN 0.265 nan 8.250 nan 0.000 0.465 237 D N 0.307 120.698 120.400 -0.015 0.000 2.911 237 D HA -0.213 4.420 4.640 -0.011 0.000 0.199 237 D C -0.585 175.731 176.300 0.027 0.000 1.041 237 D CA 1.590 55.585 54.000 -0.008 0.000 1.013 237 D CB -0.555 40.224 40.800 -0.035 0.000 1.093 237 D HN 0.623 nan 8.370 nan 0.000 0.431 238 M N 0.060 119.698 119.600 0.063 0.000 2.267 238 M HA 0.532 5.006 4.480 -0.011 0.000 0.289 238 M C -2.808 173.656 176.300 0.274 0.000 1.043 238 M CA -1.671 53.724 55.300 0.159 0.000 0.928 238 M CB 2.265 34.925 32.600 0.099 0.000 1.613 238 M HN -0.217 nan 8.290 nan 0.000 0.450 239 P HA 0.120 nan 4.420 nan 0.000 0.275 239 P C -1.312 176.023 177.300 0.057 0.000 1.228 239 P CA 0.009 63.177 63.100 0.112 0.000 0.786 239 P CB 0.600 32.336 31.700 0.060 0.000 0.927 240 Q N 2.627 122.297 119.800 -0.217 0.000 2.361 240 Q HA 0.144 4.477 4.340 -0.011 0.000 0.276 240 Q C -1.778 174.081 176.000 -0.235 0.000 1.022 240 Q CA -1.273 54.187 55.803 -0.572 0.000 0.898 240 Q CB -0.179 28.212 28.738 -0.578 0.000 1.246 240 Q HN 0.387 nan 8.270 nan 0.000 0.410 241 P HA 0.071 nan 4.420 nan 0.000 0.275 241 P C -0.596 176.664 177.300 -0.067 0.000 1.227 241 P CA 0.024 63.093 63.100 -0.052 0.000 0.781 241 P CB 0.814 32.518 31.700 0.006 0.000 0.906 242 R N 0.868 121.348 120.500 -0.034 0.000 2.317 242 R HA 0.222 4.555 4.340 -0.011 0.000 0.208 242 R C 0.163 176.454 176.300 -0.015 0.000 0.914 242 R CA -0.044 56.041 56.100 -0.026 0.000 1.060 242 R CB 0.016 30.309 30.300 -0.013 0.000 1.015 242 R HN 0.339 nan 8.270 nan 0.000 0.498 243 L N -0.019 121.195 121.223 -0.014 0.000 2.410 243 L HA 0.626 4.959 4.340 -0.011 0.000 0.270 243 L C -1.595 175.263 176.870 -0.021 0.000 0.983 243 L CA -0.737 54.092 54.840 -0.018 0.000 0.822 243 L CB 1.988 44.040 42.059 -0.013 0.000 1.285 243 L HN -0.074 nan 8.230 nan 0.000 0.409 244 A N 5.697 128.496 122.820 -0.034 0.000 2.371 244 A HA 0.819 5.132 4.320 -0.011 0.000 0.311 244 A C -1.624 175.943 177.584 -0.029 0.000 1.068 244 A CA -0.511 51.513 52.037 -0.022 0.000 0.744 244 A CB 1.143 20.131 19.000 -0.021 0.000 1.239 244 A HN 0.673 nan 8.150 nan 0.000 0.435 245 L N 2.382 123.611 121.223 0.009 0.000 2.305 245 L HA 0.483 4.816 4.340 -0.011 0.000 0.284 245 L C -0.296 176.646 176.870 0.119 0.000 1.013 245 L CA -0.698 54.184 54.840 0.070 0.000 0.819 245 L CB 1.767 43.870 42.059 0.075 0.000 1.227 245 L HN 0.828 nan 8.230 nan 0.000 0.417 246 N N 1.696 120.453 118.700 0.096 0.000 2.284 246 N HA 0.379 5.113 4.740 -0.011 0.000 0.300 246 N C -0.547 174.820 175.510 -0.240 0.000 1.047 246 N CA -0.478 52.554 53.050 -0.030 0.000 0.821 246 N CB 2.067 40.520 38.487 -0.056 0.000 1.337 246 N HN 0.622 nan 8.380 nan 0.000 0.482 247 C N 2.941 122.055 119.300 -0.310 0.000 3.722 247 C HA 0.434 4.887 4.460 -0.011 0.000 0.279 247 C C 0.771 175.606 174.990 -0.259 0.000 1.819 247 C CA -0.131 58.589 59.018 -0.497 0.000 1.744 247 C CB -0.972 26.338 27.740 -0.716 0.000 3.247 247 C HN 0.649 nan 8.230 nan 0.000 0.549 248 V N 0.667 120.480 119.914 -0.168 0.000 3.013 248 V HA 0.470 4.583 4.120 -0.011 0.000 0.238 248 V C 1.662 177.697 176.094 -0.098 0.000 1.161 248 V CA 1.402 63.631 62.300 -0.119 0.000 1.170 248 V CB -0.484 31.287 31.823 -0.087 0.000 0.917 248 V HN 0.748 nan 8.190 nan 0.000 0.478 249 G N -0.024 108.722 108.800 -0.090 0.000 2.698 249 G HA2 0.269 4.222 3.960 -0.011 0.000 0.233 249 G HA3 0.269 4.222 3.960 -0.011 0.000 0.233 249 G C 0.642 175.510 174.900 -0.055 0.000 1.352 249 G CA -0.332 44.725 45.100 -0.071 0.000 0.879 249 G HN 1.760 nan 8.290 nan 0.000 0.567 250 G N -1.759 107.014 108.800 -0.046 0.000 2.578 250 G HA2 -0.034 3.919 3.960 -0.011 0.000 0.275 250 G HA3 -0.034 3.919 3.960 -0.011 0.000 0.275 250 G C 1.150 176.032 174.900 -0.030 0.000 1.271 250 G CA 1.681 46.760 45.100 -0.036 0.000 0.941 250 G HN 1.873 nan 8.290 nan 0.000 0.564 251 K N -0.191 120.195 120.400 -0.024 0.000 2.152 251 K HA -0.012 4.301 4.320 -0.011 0.000 0.206 251 K C 3.229 179.816 176.600 -0.022 0.000 1.048 251 K CA 2.161 58.437 56.287 -0.019 0.000 0.933 251 K CB -0.908 31.584 32.500 -0.014 0.000 0.721 251 K HN 0.602 nan 8.250 nan 0.000 0.447 252 S N 0.834 116.518 115.700 -0.026 0.000 2.370 252 S HA -0.188 4.275 4.470 -0.011 0.000 0.226 252 S C 2.252 176.833 174.600 -0.032 0.000 1.033 252 S CA 1.814 59.997 58.200 -0.029 0.000 1.011 252 S CB -0.448 62.731 63.200 -0.034 0.000 0.852 252 S HN 0.757 nan 8.310 nan 0.000 0.457 253 S N 1.374 117.052 115.700 -0.037 0.000 2.402 253 S HA -0.098 4.365 4.470 -0.011 0.000 0.229 253 S C 1.834 176.417 174.600 -0.028 0.000 1.021 253 S CA 1.448 59.626 58.200 -0.037 0.000 0.974 253 S CB -1.039 62.133 63.200 -0.046 0.000 0.800 253 S HN 0.485 nan 8.310 nan 0.000 0.484 254 T N 2.186 116.725 114.554 -0.024 0.000 2.777 254 T HA 0.001 4.344 4.350 -0.011 0.000 0.266 254 T C 1.705 176.398 174.700 -0.012 0.000 1.040 254 T CA 1.373 63.462 62.100 -0.017 0.000 1.141 254 T CB -0.319 68.542 68.868 -0.013 0.000 0.868 254 T HN 0.372 nan 8.240 nan 0.000 0.444 255 E N 1.098 121.290 120.200 -0.014 0.000 2.150 255 E HA 0.058 4.401 4.350 -0.011 0.000 0.193 255 E C 2.290 178.883 176.600 -0.011 0.000 0.985 255 E CA 0.411 56.805 56.400 -0.011 0.000 0.814 255 E CB -0.428 29.262 29.700 -0.017 0.000 0.752 255 E HN 0.436 nan 8.360 nan 0.000 0.466 256 L N 0.338 121.550 121.223 -0.017 0.000 2.017 256 L HA -0.170 4.163 4.340 -0.011 0.000 0.208 256 L C 2.570 179.433 176.870 -0.010 0.000 1.073 256 L CA 0.912 55.743 54.840 -0.014 0.000 0.745 256 L CB -0.458 41.590 42.059 -0.019 0.000 0.894 256 L HN 0.164 nan 8.230 nan 0.000 0.432 257 L N -0.509 120.706 121.223 -0.015 0.000 2.043 257 L HA -0.281 4.053 4.340 -0.011 0.000 0.212 257 L C 2.763 179.628 176.870 -0.008 0.000 1.075 257 L CA 1.391 56.222 54.840 -0.015 0.000 0.752 257 L CB -0.484 41.566 42.059 -0.015 0.000 0.891 257 L HN 0.273 nan 8.230 nan 0.000 0.432 258 R N -0.488 120.013 120.500 0.002 0.000 2.249 258 R HA -0.162 4.172 4.340 -0.011 0.000 0.230 258 R C 1.928 178.239 176.300 0.019 0.000 1.121 258 R CA 0.775 56.884 56.100 0.014 0.000 0.997 258 R CB -0.122 30.192 30.300 0.023 0.000 0.867 258 R HN 0.483 nan 8.270 nan 0.000 0.465 259 Q N 0.141 119.951 119.800 0.017 0.000 2.408 259 Q HA 0.141 4.474 4.340 -0.011 0.000 0.205 259 Q C 0.717 176.649 176.000 -0.114 0.000 0.919 259 Q CA 0.301 56.118 55.803 0.023 0.000 0.932 259 Q CB 0.255 29.066 28.738 0.121 0.000 1.058 259 Q HN 0.318 nan 8.270 nan 0.000 0.517 260 L N 1.247 122.424 121.223 -0.075 0.000 2.426 260 L HA 0.190 4.524 4.340 -0.011 0.000 0.271 260 L C 0.522 177.322 176.870 -0.117 0.000 1.169 260 L CA -0.594 54.190 54.840 -0.094 0.000 0.836 260 L CB 0.475 42.503 42.059 -0.051 0.000 1.112 260 L HN 0.022 nan 8.230 nan 0.000 0.465 261 A N 4.356 127.097 122.820 -0.131 0.000 2.448 261 A HA 0.135 4.448 4.320 -0.011 0.000 0.239 261 A C 0.450 178.002 177.584 -0.054 0.000 1.080 261 A CA -0.228 51.746 52.037 -0.105 0.000 0.779 261 A CB 0.116 19.058 19.000 -0.096 0.000 1.026 261 A HN 0.820 nan 8.150 nan 0.000 0.499 262 R N 0.241 120.720 120.500 -0.035 0.000 2.537 262 R HA 0.241 4.574 4.340 -0.011 0.000 0.281 262 R C 1.273 177.569 176.300 -0.008 0.000 0.988 262 R CA 1.541 57.635 56.100 -0.010 0.000 1.077 262 R CB -0.251 30.051 30.300 0.002 0.000 0.932 262 R HN 1.732 nan 8.270 nan 0.000 0.409 263 G N 2.384 111.183 108.800 -0.001 0.000 2.176 263 G HA2 -0.245 3.708 3.960 -0.011 0.000 0.253 263 G HA3 -0.245 3.708 3.960 -0.011 0.000 0.253 263 G C 0.393 175.295 174.900 0.003 0.000 0.979 263 G CA -0.020 45.082 45.100 0.003 0.000 0.641 263 G HN 0.945 nan 8.290 nan 0.000 0.530 264 G N -0.928 107.867 108.800 -0.008 0.000 2.634 264 G HA2 0.561 4.514 3.960 -0.011 0.000 0.255 264 G HA3 0.561 4.514 3.960 -0.011 0.000 0.255 264 G C -0.123 174.775 174.900 -0.003 0.000 1.205 264 G CA 0.754 45.849 45.100 -0.010 0.000 0.884 264 G HN 0.667 nan 8.290 nan 0.000 0.549 265 T N 0.639 115.191 114.554 -0.004 0.000 2.848 265 T HA 0.472 4.815 4.350 -0.011 0.000 0.285 265 T C -0.252 174.417 174.700 -0.052 0.000 0.995 265 T CA -0.317 61.775 62.100 -0.012 0.000 0.970 265 T CB 1.542 70.423 68.868 0.022 0.000 0.976 265 T HN 0.495 nan 8.240 nan 0.000 0.441 266 M N 4.080 123.641 119.600 -0.065 0.000 2.205 266 M HA 0.588 5.061 4.480 -0.011 0.000 0.344 266 M C -1.493 174.726 176.300 -0.135 0.000 1.085 266 M CA -0.629 54.622 55.300 -0.082 0.000 1.001 266 M CB 0.673 33.242 32.600 -0.053 0.000 1.626 266 M HN 0.327 nan 8.290 nan 0.000 0.442 267 V N 4.294 124.094 119.914 -0.190 0.000 2.398 267 V HA 0.427 4.540 4.120 -0.011 0.000 0.286 267 V C -0.038 176.021 176.094 -0.059 0.000 1.026 267 V CA -0.518 61.620 62.300 -0.270 0.000 0.868 267 V CB 1.677 33.154 31.823 -0.578 0.000 0.982 267 V HN 0.858 nan 8.190 nan 0.000 0.443 268 T N 5.006 119.547 114.554 -0.021 0.000 2.767 268 T HA 0.410 4.754 4.350 -0.011 0.000 0.284 268 T C 0.135 174.900 174.700 0.108 0.000 0.973 268 T CA -0.038 62.064 62.100 0.003 0.000 0.996 268 T CB 0.546 69.382 68.868 -0.052 0.000 0.927 268 T HN 0.786 nan 8.240 nan 0.000 0.456 269 Y N 0.940 121.260 120.300 0.033 0.000 2.527 269 Y HA 0.706 5.251 4.550 -0.007 0.000 0.247 269 Y C 0.469 176.411 175.900 0.071 0.000 1.138 269 Y CA -0.670 57.495 58.100 0.107 0.000 1.228 269 Y CB 0.446 39.021 38.460 0.192 0.000 1.252 269 Y HN 0.755 nan 8.280 nan 0.000 0.531 270 G N -0.823 107.730 108.800 -0.410 0.000 2.548 270 G HA2 0.581 4.534 3.960 -0.011 0.000 0.301 270 G HA3 0.581 4.534 3.960 -0.011 0.000 0.301 270 G C -0.681 174.069 174.900 -0.249 0.000 1.349 270 G CA -0.293 44.643 45.100 -0.273 0.000 0.792 270 G HN 0.853 nan 8.290 nan 0.000 0.481 271 G N -2.367 106.331 108.800 -0.169 0.000 2.362 271 G HA2 0.524 4.478 3.960 -0.011 0.000 0.288 271 G HA3 0.524 4.478 3.960 -0.011 0.000 0.288 271 G C -1.006 173.837 174.900 -0.096 0.000 1.305 271 G CA 0.139 45.155 45.100 -0.140 0.000 0.910 271 G HN 1.359 nan 8.290 nan 0.000 0.518 272 M N 0.273 119.823 119.600 -0.084 0.000 2.472 272 M HA 0.805 5.279 4.480 -0.011 0.000 0.331 272 M C 0.905 177.168 176.300 -0.061 0.000 1.170 272 M CA -0.356 54.906 55.300 -0.064 0.000 1.009 272 M CB 0.945 33.510 32.600 -0.058 0.000 1.672 272 M HN 2.187 nan 8.290 nan 0.000 0.453 273 A N 1.486 124.275 122.820 -0.052 0.000 2.488 273 A HA 0.552 4.865 4.320 -0.011 0.000 0.249 273 A C 1.220 178.778 177.584 -0.043 0.000 1.083 273 A CA 0.629 52.636 52.037 -0.050 0.000 0.768 273 A CB -0.549 18.424 19.000 -0.044 0.000 1.017 273 A HN 2.149 nan 8.150 nan 0.000 0.496 274 K N 0.781 121.156 120.400 -0.042 0.000 3.533 274 K HA -0.126 4.187 4.320 -0.011 0.000 0.289 274 K C 0.160 176.738 176.600 -0.037 0.000 1.317 274 K CA 1.810 58.076 56.287 -0.035 0.000 0.967 274 K CB -2.329 30.153 32.500 -0.029 0.000 1.323 274 K HN 0.875 nan 8.250 nan 0.000 0.477 275 Q N 0.869 120.642 119.800 -0.045 0.000 2.721 275 Q HA 0.299 4.632 4.340 -0.011 0.000 0.257 275 Q C -2.560 173.408 176.000 -0.053 0.000 1.070 275 Q CA -1.437 54.338 55.803 -0.047 0.000 0.910 275 Q CB 1.685 30.392 28.738 -0.052 0.000 1.163 275 Q HN 0.692 nan 8.270 nan 0.000 0.501 276 P HA 0.148 nan 4.420 nan 0.000 0.274 276 P C 0.123 177.394 177.300 -0.049 0.000 1.246 276 P CA -0.419 62.651 63.100 -0.050 0.000 0.795 276 P CB 1.186 32.860 31.700 -0.043 0.000 1.006 277 V N 1.108 120.991 119.914 -0.052 0.000 2.637 277 V HA 0.089 4.203 4.120 -0.011 0.000 0.296 277 V C 0.532 176.603 176.094 -0.038 0.000 1.046 277 V CA -0.012 62.259 62.300 -0.048 0.000 1.066 277 V CB 1.097 32.890 31.823 -0.050 0.000 0.968 277 V HN 0.231 nan 8.190 nan 0.000 0.483 278 V N 4.113 124.007 119.914 -0.034 0.000 2.444 278 V HA 0.780 4.894 4.120 -0.011 0.000 0.294 278 V C 0.142 176.221 176.094 -0.025 0.000 1.022 278 V CA -0.458 61.825 62.300 -0.028 0.000 0.850 278 V CB 1.587 33.396 31.823 -0.024 0.000 0.992 278 V HN 0.995 nan 8.190 nan 0.000 0.426 279 A N 3.491 126.297 122.820 -0.024 0.000 2.332 279 A HA 0.745 5.059 4.320 -0.011 0.000 0.300 279 A C 0.166 177.737 177.584 -0.022 0.000 1.153 279 A CA -0.393 51.630 52.037 -0.024 0.000 0.764 279 A CB 1.343 20.326 19.000 -0.028 0.000 1.174 279 A HN 1.066 nan 8.150 nan 0.000 0.467 280 S N 2.178 117.869 115.700 -0.015 0.000 2.562 280 S HA 0.228 4.691 4.470 -0.011 0.000 0.281 280 S C 1.188 175.772 174.600 -0.027 0.000 1.333 280 S CA 0.002 58.196 58.200 -0.010 0.000 1.052 280 S CB 0.849 64.054 63.200 0.008 0.000 0.884 280 S HN 0.897 nan 8.310 nan 0.000 0.506 281 V N 3.532 123.426 119.914 -0.033 0.000 2.332 281 V HA -0.203 3.910 4.120 -0.011 0.000 0.248 281 V C 2.984 179.002 176.094 -0.128 0.000 1.055 281 V CA 2.446 64.700 62.300 -0.077 0.000 1.038 281 V CB -1.566 30.219 31.823 -0.063 0.000 0.651 281 V HN 1.105 nan 8.190 nan 0.000 0.450 282 S N 0.098 115.780 115.700 -0.030 0.000 2.370 282 S HA -0.198 4.265 4.470 -0.011 0.000 0.226 282 S C 1.974 176.593 174.600 0.032 0.000 1.033 282 S CA 1.773 60.015 58.200 0.070 0.000 1.011 282 S CB -0.694 62.659 63.200 0.255 0.000 0.852 282 S HN 0.518 nan 8.310 nan 0.000 0.457 283 L N 0.634 121.867 121.223 0.017 0.000 2.056 283 L HA 0.005 4.338 4.340 -0.011 0.000 0.207 283 L C 2.750 179.599 176.870 -0.035 0.000 1.078 283 L CA 1.115 55.962 54.840 0.011 0.000 0.749 283 L CB -0.627 41.436 42.059 0.007 0.000 0.901 283 L HN 0.304 nan 8.230 nan 0.000 0.433 284 L N -0.480 120.699 121.223 -0.073 0.000 2.017 284 L HA -0.244 4.089 4.340 -0.011 0.000 0.208 284 L C 2.411 179.198 176.870 -0.139 0.000 1.073 284 L CA 1.515 56.301 54.840 -0.089 0.000 0.745 284 L CB -0.310 41.695 42.059 -0.090 0.000 0.894 284 L HN 0.221 nan 8.230 nan 0.000 0.432 285 I N -1.477 118.930 120.570 -0.273 0.000 2.270 285 I HA -0.215 3.948 4.170 -0.011 0.000 0.239 285 I C 2.153 178.072 176.117 -0.331 0.000 1.080 285 I CA 1.343 62.390 61.300 -0.422 0.000 1.383 285 I CB -0.224 37.314 38.000 -0.770 0.000 1.097 285 I HN 0.042 nan 8.210 nan 0.000 0.420 286 F N 0.580 120.528 119.950 -0.003 0.000 2.416 286 F HA 0.013 4.532 4.527 -0.012 0.000 0.296 286 F C 2.226 178.022 175.800 -0.006 0.000 1.099 286 F CA 0.581 58.578 58.000 -0.004 0.000 1.427 286 F CB -0.079 38.919 39.000 -0.003 0.000 1.079 286 F HN -0.146 nan 8.300 nan 0.000 0.536 287 K N -0.091 120.381 120.400 0.121 0.000 2.367 287 K HA -0.027 4.287 4.320 -0.011 0.000 0.194 287 K C -0.088 176.527 176.600 0.025 0.000 1.027 287 K CA 0.441 56.767 56.287 0.066 0.000 1.075 287 K CB -0.052 32.477 32.500 0.049 0.000 0.845 287 K HN 0.028 nan 8.250 nan 0.000 0.529 288 D N 1.383 121.785 120.400 0.003 0.000 2.708 288 D HA -0.178 4.455 4.640 -0.011 0.000 0.236 288 D C -0.651 175.645 176.300 -0.007 0.000 1.146 288 D CA 0.408 54.403 54.000 -0.009 0.000 0.662 288 D CB -1.357 39.446 40.800 0.005 0.000 1.059 288 D HN 0.154 nan 8.370 nan 0.000 0.428 289 L N -0.395 120.820 121.223 -0.013 0.000 2.453 289 L HA 0.355 4.689 4.340 -0.011 0.000 0.261 289 L C 1.027 177.891 176.870 -0.009 0.000 1.179 289 L CA -0.119 54.715 54.840 -0.011 0.000 0.813 289 L CB 0.639 42.689 42.059 -0.015 0.000 1.110 289 L HN -0.055 nan 8.230 nan 0.000 0.466 290 K N 1.888 122.287 120.400 -0.002 0.000 2.324 290 K HA 0.636 4.949 4.320 -0.011 0.000 0.253 290 K C -1.472 175.126 176.600 -0.004 0.000 0.932 290 K CA -0.410 55.882 56.287 0.008 0.000 0.799 290 K CB 2.035 34.555 32.500 0.033 0.000 1.154 290 K HN 0.182 nan 8.250 nan 0.000 0.425 291 L N 2.908 124.129 121.223 -0.003 0.000 2.322 291 L HA 0.578 4.911 4.340 -0.011 0.000 0.281 291 L C -0.198 176.674 176.870 0.003 0.000 1.014 291 L CA -0.492 54.339 54.840 -0.016 0.000 0.815 291 L CB 1.137 43.182 42.059 -0.022 0.000 1.247 291 L HN 0.430 nan 8.230 nan 0.000 0.421 292 R N 0.978 121.464 120.500 -0.023 0.000 2.855 292 R HA 0.824 5.157 4.340 -0.011 0.000 0.266 292 R C -0.418 175.880 176.300 -0.002 0.000 1.034 292 R CA -0.959 55.154 56.100 0.021 0.000 0.944 292 R CB 1.897 32.220 30.300 0.039 0.000 1.219 292 R HN 0.734 nan 8.270 nan 0.000 0.474 293 G N -0.095 108.759 108.800 0.091 0.000 2.568 293 G HA2 0.686 4.640 3.960 -0.011 0.000 0.313 293 G HA3 0.686 4.640 3.960 -0.011 0.000 0.313 293 G C -1.714 173.368 174.900 0.303 0.000 1.227 293 G CA -0.307 44.867 45.100 0.122 0.000 0.979 293 G HN 0.302 nan 8.290 nan 0.000 0.486 294 F N 0.112 120.172 119.950 0.183 0.000 2.574 294 F HA 0.648 5.167 4.527 -0.013 0.000 0.313 294 F C -2.140 173.880 175.800 0.366 0.000 1.130 294 F CA -1.551 56.641 58.000 0.321 0.000 0.936 294 F CB 2.099 41.281 39.000 0.304 0.000 1.219 294 F HN 0.452 nan 8.300 nan 0.000 0.445 295 W N 8.950 129.820 121.300 -0.717 0.000 2.453 295 W HA 0.348 5.005 4.660 -0.006 0.000 0.310 295 W C -0.215 175.865 176.519 -0.732 0.000 1.000 295 W CA -1.474 55.573 57.345 -0.498 0.000 1.367 295 W CB 1.445 30.754 29.460 -0.251 0.000 1.269 295 W HN 0.640 nan 8.180 nan 0.000 0.418 296 L N 3.865 124.849 121.223 -0.398 0.000 2.042 296 L HA -0.198 4.135 4.340 -0.011 0.000 0.210 296 L C 2.104 178.785 176.870 -0.314 0.000 1.076 296 L CA 2.595 57.258 54.840 -0.295 0.000 0.749 296 L CB -0.663 41.426 42.059 0.051 0.000 0.893 296 L HN 0.392 nan 8.230 nan 0.000 0.432 297 S N -1.007 114.356 115.700 -0.562 0.000 2.383 297 S HA -0.268 4.196 4.470 -0.011 0.000 0.229 297 S C 1.849 175.979 174.600 -0.784 0.000 1.030 297 S CA 1.418 59.202 58.200 -0.694 0.000 1.002 297 S CB -0.309 62.405 63.200 -0.811 0.000 0.829 297 S HN 0.580 nan 8.310 nan 0.000 0.467 298 Q N 0.212 119.415 119.800 -0.994 0.000 2.083 298 Q HA -0.079 4.254 4.340 -0.011 0.000 0.198 298 Q C 1.689 177.556 176.000 -0.221 0.000 0.969 298 Q CA 1.462 56.930 55.803 -0.560 0.000 0.838 298 Q CB -0.515 28.038 28.738 -0.308 0.000 0.900 298 Q HN 0.664 nan 8.270 nan 0.000 0.436 299 W N 1.252 122.368 121.300 -0.307 0.000 2.318 299 W HA -0.240 4.413 4.660 -0.012 0.000 0.313 299 W C 1.683 178.183 176.519 -0.032 0.000 1.221 299 W CA 2.324 59.621 57.345 -0.081 0.000 1.266 299 W CB -0.061 29.353 29.460 -0.077 0.000 1.150 299 W HN 0.080 nan 8.180 nan 0.000 0.496 300 K N 0.008 120.428 120.400 0.035 0.000 2.057 300 K HA -0.245 4.068 4.320 -0.011 0.000 0.207 300 K C 2.101 178.557 176.600 -0.240 0.000 1.049 300 K CA 1.782 57.967 56.287 -0.170 0.000 0.931 300 K CB -0.459 31.888 32.500 -0.255 0.000 0.714 300 K HN 0.137 nan 8.250 nan 0.000 0.440 301 K N 1.078 121.332 120.400 -0.243 0.000 2.057 301 K HA -0.172 4.141 4.320 -0.011 0.000 0.207 301 K C 1.124 177.585 176.600 -0.232 0.000 1.049 301 K CA 1.779 57.932 56.287 -0.224 0.000 0.931 301 K CB 0.115 32.469 32.500 -0.243 0.000 0.714 301 K HN 0.035 nan 8.250 nan 0.000 0.440 302 D N -0.533 119.707 120.400 -0.268 0.000 2.347 302 D HA 0.002 4.635 4.640 -0.011 0.000 0.215 302 D C -0.032 175.892 176.300 -0.626 0.000 0.976 302 D CA 0.778 54.555 54.000 -0.371 0.000 0.884 302 D CB 0.100 40.692 40.800 -0.346 0.000 0.915 302 D HN 0.294 nan 8.370 nan 0.000 0.526 303 H N -1.182 117.566 119.070 -0.536 0.000 2.737 303 H HA 0.406 4.955 4.556 -0.012 0.000 0.358 303 H C 0.276 175.406 175.328 -0.330 0.000 1.187 303 H CA -0.899 54.821 56.048 -0.548 0.000 1.221 303 H CB 1.248 30.369 29.762 -1.068 0.000 1.799 303 H HN -0.219 nan 8.280 nan 0.000 0.568 304 S N 0.957 116.599 115.700 -0.096 0.000 2.593 304 S HA 0.087 4.550 4.470 -0.011 0.000 0.269 304 S C -1.722 172.899 174.600 0.034 0.000 1.334 304 S CA -0.939 57.239 58.200 -0.037 0.000 1.015 304 S CB 1.146 64.340 63.200 -0.010 0.000 0.912 304 S HN 0.440 nan 8.310 nan 0.000 0.541 305 P HA -0.091 nan 4.420 nan 0.000 0.216 305 P C 0.692 178.072 177.300 0.132 0.000 1.150 305 P CA 1.239 64.418 63.100 0.131 0.000 0.843 305 P CB -0.049 31.699 31.700 0.081 0.000 0.787 306 D N -0.888 119.560 120.400 0.079 0.000 2.117 306 D HA -0.166 4.468 4.640 -0.011 0.000 0.197 306 D C 2.074 178.439 176.300 0.109 0.000 0.987 306 D CA 1.120 55.161 54.000 0.068 0.000 0.829 306 D CB -0.551 40.275 40.800 0.043 0.000 0.961 306 D HN 0.293 nan 8.370 nan 0.000 0.460 307 Q N -0.855 119.028 119.800 0.138 0.000 2.084 307 Q HA -0.144 4.189 4.340 -0.011 0.000 0.202 307 Q C 1.960 178.200 176.000 0.400 0.000 0.978 307 Q CA 0.746 56.678 55.803 0.215 0.000 0.844 307 Q CB -0.160 28.670 28.738 0.154 0.000 0.898 307 Q HN 0.243 nan 8.270 nan 0.000 0.426 308 F N 1.945 122.021 119.950 0.209 0.000 2.146 308 F HA -0.158 4.363 4.527 -0.011 0.000 0.298 308 F C 2.126 178.007 175.800 0.135 0.000 1.096 308 F CA 1.446 59.614 58.000 0.280 0.000 1.275 308 F CB -0.295 38.841 39.000 0.227 0.000 1.008 308 F HN -0.139 nan 8.300 nan 0.000 0.480 309 K N 1.028 121.436 120.400 0.014 0.000 2.063 309 K HA -0.190 4.123 4.320 -0.011 0.000 0.208 309 K C 2.352 178.909 176.600 -0.072 0.000 1.048 309 K CA 1.737 57.938 56.287 -0.144 0.000 0.928 309 K CB -0.835 31.619 32.500 -0.077 0.000 0.713 309 K HN 0.243 nan 8.250 nan 0.000 0.442 310 E N 0.083 120.296 120.200 0.021 0.000 2.085 310 E HA -0.164 4.179 4.350 -0.011 0.000 0.194 310 E C 1.953 178.533 176.600 -0.033 0.000 0.994 310 E CA 1.304 57.712 56.400 0.013 0.000 0.801 310 E CB -0.675 29.063 29.700 0.063 0.000 0.743 310 E HN 0.428 nan 8.360 nan 0.000 0.453 311 L N 0.430 121.656 121.223 0.005 0.000 2.012 311 L HA -0.007 4.326 4.340 -0.011 0.000 0.210 311 L C 2.473 179.238 176.870 -0.174 0.000 1.073 311 L CA 2.095 56.860 54.840 -0.124 0.000 0.748 311 L CB -0.675 41.384 42.059 0.000 0.000 0.891 311 L HN 0.396 nan 8.230 nan 0.000 0.431 312 I N -1.092 119.387 120.570 -0.151 0.000 2.226 312 I HA -0.333 3.830 4.170 -0.011 0.000 0.245 312 I C 2.392 178.424 176.117 -0.141 0.000 1.100 312 I CA 1.309 62.499 61.300 -0.182 0.000 1.374 312 I CB -0.361 37.454 38.000 -0.307 0.000 1.057 312 I HN 0.270 nan 8.210 nan 0.000 0.413 313 L N -0.193 120.956 121.223 -0.124 0.000 2.056 313 L HA -0.178 4.155 4.340 -0.011 0.000 0.207 313 L C 2.641 179.456 176.870 -0.093 0.000 1.078 313 L CA 1.417 56.201 54.840 -0.093 0.000 0.749 313 L CB -0.906 41.111 42.059 -0.071 0.000 0.901 313 L HN 0.249 nan 8.230 nan 0.000 0.433 314 T N 0.529 115.008 114.554 -0.124 0.000 2.684 314 T HA -0.181 4.162 4.350 -0.011 0.000 0.267 314 T C 1.960 176.580 174.700 -0.134 0.000 1.036 314 T CA 1.370 63.388 62.100 -0.137 0.000 1.148 314 T CB -0.291 68.433 68.868 -0.241 0.000 0.863 314 T HN 0.195 nan 8.240 nan 0.000 0.436 315 L N 0.352 121.470 121.223 -0.175 0.000 2.083 315 L HA -0.106 4.227 4.340 -0.011 0.000 0.209 315 L C 2.890 179.724 176.870 -0.060 0.000 1.083 315 L CA 0.844 55.617 54.840 -0.113 0.000 0.752 315 L CB -0.791 41.202 42.059 -0.109 0.000 0.899 315 L HN 0.377 nan 8.230 nan 0.000 0.433 316 C N -0.169 119.093 119.300 -0.063 0.000 2.422 316 C HA -0.145 4.308 4.460 -0.011 0.000 0.279 316 C C 2.423 177.393 174.990 -0.034 0.000 1.305 316 C CA 0.491 59.483 59.018 -0.042 0.000 1.757 316 C CB -0.798 26.911 27.740 -0.052 0.000 1.962 316 C HN 0.539 nan 8.230 nan 0.000 0.499 317 D N 0.824 121.201 120.400 -0.038 0.000 2.117 317 D HA -0.077 4.556 4.640 -0.011 0.000 0.197 317 D C 2.069 178.361 176.300 -0.013 0.000 0.987 317 D CA 1.057 55.042 54.000 -0.025 0.000 0.829 317 D CB -0.368 40.418 40.800 -0.023 0.000 0.961 317 D HN 0.443 nan 8.370 nan 0.000 0.460 318 L N 0.318 121.534 121.223 -0.012 0.000 2.056 318 L HA -0.098 4.235 4.340 -0.011 0.000 0.207 318 L C 2.514 179.386 176.870 0.004 0.000 1.078 318 L CA 0.634 55.475 54.840 0.002 0.000 0.749 318 L CB -0.227 41.838 42.059 0.010 0.000 0.901 318 L HN 0.011 nan 8.230 nan 0.000 0.433 319 I N -0.529 120.042 120.570 0.001 0.000 2.226 319 I HA -0.280 3.883 4.170 -0.011 0.000 0.245 319 I C 2.685 178.807 176.117 0.007 0.000 1.100 319 I CA 1.228 62.533 61.300 0.009 0.000 1.374 319 I CB -0.296 37.711 38.000 0.011 0.000 1.057 319 I HN 0.204 nan 8.210 nan 0.000 0.413 320 R N 0.484 120.983 120.500 -0.001 0.000 2.152 320 R HA -0.107 4.226 4.340 -0.011 0.000 0.232 320 R C 1.991 178.291 176.300 0.001 0.000 1.117 320 R CA 0.985 57.083 56.100 -0.004 0.000 0.981 320 R CB -0.213 30.079 30.300 -0.013 0.000 0.870 320 R HN 0.355 nan 8.270 nan 0.000 0.451 321 R N -0.563 119.938 120.500 0.002 0.000 2.317 321 R HA 0.081 4.414 4.340 -0.011 0.000 0.208 321 R C 0.838 177.143 176.300 0.009 0.000 0.914 321 R CA 0.493 56.596 56.100 0.005 0.000 1.060 321 R CB 0.679 30.982 30.300 0.005 0.000 1.015 321 R HN 0.367 nan 8.270 nan 0.000 0.498 322 G N 1.002 109.809 108.800 0.011 0.000 2.148 322 G HA2 -0.332 3.621 3.960 -0.011 0.000 0.254 322 G HA3 -0.332 3.621 3.960 -0.011 0.000 0.254 322 G C 0.598 175.508 174.900 0.016 0.000 0.981 322 G CA 0.238 45.347 45.100 0.014 0.000 0.670 322 G HN 0.421 nan 8.290 nan 0.000 0.528 323 Q N -1.409 118.400 119.800 0.015 0.000 2.360 323 Q HA 0.450 4.783 4.340 -0.011 0.000 0.202 323 Q C 0.351 176.364 176.000 0.021 0.000 0.915 323 Q CA 0.354 56.167 55.803 0.018 0.000 0.943 323 Q CB 0.551 29.300 28.738 0.018 0.000 1.064 323 Q HN 0.487 nan 8.270 nan 0.000 0.511 324 L N 0.966 122.202 121.223 0.021 0.000 2.573 324 L HA 0.268 4.601 4.340 -0.011 0.000 0.260 324 L C -0.770 176.116 176.870 0.027 0.000 0.997 324 L CA -0.182 54.673 54.840 0.025 0.000 0.890 324 L CB 1.515 43.587 42.059 0.023 0.000 1.179 324 L HN -0.057 nan 8.230 nan 0.000 0.439 325 T N 1.333 115.904 114.554 0.028 0.000 2.925 325 T HA 0.911 5.254 4.350 -0.011 0.000 0.285 325 T C 0.375 175.096 174.700 0.035 0.000 1.021 325 T CA -0.298 61.820 62.100 0.031 0.000 1.042 325 T CB 1.736 70.621 68.868 0.029 0.000 1.037 325 T HN 0.779 nan 8.240 nan 0.000 0.481 326 A N 2.869 125.712 122.820 0.039 0.000 2.351 326 A HA 0.652 4.965 4.320 -0.011 0.000 0.257 326 A C -2.105 175.502 177.584 0.039 0.000 1.087 326 A CA -1.315 50.747 52.037 0.042 0.000 0.798 326 A CB -0.899 18.129 19.000 0.045 0.000 1.033 326 A HN 0.748 nan 8.150 nan 0.000 0.488 327 P HA 0.384 nan 4.420 nan 0.000 0.274 327 P C -0.160 177.162 177.300 0.037 0.000 1.256 327 P CA -0.121 63.003 63.100 0.040 0.000 0.795 327 P CB 0.380 32.107 31.700 0.044 0.000 1.038 328 A N 0.444 123.285 122.820 0.035 0.000 2.565 328 A HA 0.336 4.650 4.320 -0.011 0.000 0.237 328 A C 0.623 178.224 177.584 0.030 0.000 1.053 328 A CA 0.269 52.324 52.037 0.031 0.000 0.755 328 A CB -1.107 17.911 19.000 0.030 0.000 0.980 328 A HN 0.788 nan 8.150 nan 0.000 0.506 329 C N 0.317 119.632 119.300 0.025 0.000 2.994 329 C HA 0.893 5.346 4.460 -0.011 0.000 0.304 329 C C -0.204 174.793 174.990 0.013 0.000 1.273 329 C CA -0.603 58.427 59.018 0.020 0.000 1.537 329 C CB 1.231 28.984 27.740 0.021 0.000 2.001 329 C HN 0.825 nan 8.230 nan 0.000 0.471 330 S N 1.330 117.033 115.700 0.004 0.000 2.519 330 S HA 0.468 4.931 4.470 -0.011 0.000 0.309 330 S C -0.892 173.701 174.600 -0.013 0.000 1.100 330 S CA -0.241 57.957 58.200 -0.003 0.000 1.059 330 S CB 1.305 64.501 63.200 -0.008 0.000 1.008 330 S HN 0.925 nan 8.310 nan 0.000 0.478 331 Q N 3.086 122.880 119.800 -0.011 0.000 2.288 331 Q HA 0.463 4.796 4.340 -0.011 0.000 0.258 331 Q C -1.421 174.562 176.000 -0.028 0.000 0.957 331 Q CA -0.214 55.577 55.803 -0.020 0.000 0.919 331 Q CB 0.585 29.317 28.738 -0.011 0.000 1.185 331 Q HN 0.465 nan 8.270 nan 0.000 0.408 332 V N 6.900 126.788 119.914 -0.043 0.000 2.443 332 V HA 0.369 4.482 4.120 -0.011 0.000 0.293 332 V C -2.288 173.779 176.094 -0.045 0.000 1.021 332 V CA -2.037 60.235 62.300 -0.046 0.000 0.848 332 V CB 1.519 33.303 31.823 -0.065 0.000 0.998 332 V HN 0.851 nan 8.190 nan 0.000 0.424 333 P HA 0.065 nan 4.420 nan 0.000 0.266 333 P C 0.852 178.145 177.300 -0.011 0.000 1.195 333 P CA -0.150 62.937 63.100 -0.021 0.000 0.768 333 P CB 0.769 32.464 31.700 -0.008 0.000 0.838 334 L N 3.347 124.561 121.223 -0.015 0.000 2.051 334 L HA -0.277 4.056 4.340 -0.011 0.000 0.214 334 L C 2.227 179.143 176.870 0.076 0.000 1.076 334 L CA 1.932 56.768 54.840 -0.006 0.000 0.758 334 L CB -1.129 40.916 42.059 -0.023 0.000 0.890 334 L HN 0.426 nan 8.230 nan 0.000 0.433 335 Q N -1.519 118.324 119.800 0.072 0.000 2.291 335 Q HA -0.183 4.150 4.340 -0.011 0.000 0.206 335 Q C 0.434 176.520 176.000 0.144 0.000 0.976 335 Q CA 1.544 57.420 55.803 0.122 0.000 0.875 335 Q CB -0.631 28.145 28.738 0.062 0.000 0.927 335 Q HN 0.549 nan 8.270 nan 0.000 0.450 336 D N 0.805 121.248 120.400 0.072 0.000 2.395 336 D HA 0.033 4.666 4.640 -0.011 0.000 0.226 336 D C 1.216 177.481 176.300 -0.058 0.000 1.146 336 D CA -0.277 53.715 54.000 -0.015 0.000 0.830 336 D CB -0.304 40.478 40.800 -0.030 0.000 0.958 336 D HN 0.479 nan 8.370 nan 0.000 0.501 337 Y N 0.513 120.753 120.300 -0.100 0.000 2.256 337 Y HA -0.250 4.293 4.550 -0.012 0.000 0.288 337 Y C 2.285 178.107 175.900 -0.130 0.000 1.155 337 Y CA 1.083 59.090 58.100 -0.155 0.000 1.203 337 Y CB -0.403 37.951 38.460 -0.178 0.000 0.980 337 Y HN -0.125 nan 8.280 nan 0.000 0.530 338 Q N 1.825 121.035 119.800 -0.983 0.000 2.061 338 Q HA -0.201 4.132 4.340 -0.011 0.000 0.204 338 Q C 2.525 178.340 176.000 -0.309 0.000 0.984 338 Q CA 2.874 58.252 55.803 -0.709 0.000 0.846 338 Q CB -0.617 27.736 28.738 -0.642 0.000 0.902 338 Q HN 0.697 nan 8.270 nan 0.000 0.421 339 S N -0.668 114.892 115.700 -0.234 0.000 2.382 339 S HA -0.080 4.383 4.470 -0.011 0.000 0.228 339 S C 2.077 176.610 174.600 -0.111 0.000 1.027 339 S CA 0.983 59.101 58.200 -0.138 0.000 0.991 339 S CB -0.649 62.487 63.200 -0.106 0.000 0.823 339 S HN 0.452 nan 8.310 nan 0.000 0.469 340 A N 1.950 124.696 122.820 -0.124 0.000 1.898 340 A HA 0.200 4.513 4.320 -0.011 0.000 0.216 340 A C 2.315 179.837 177.584 -0.104 0.000 1.181 340 A CA 1.200 53.172 52.037 -0.108 0.000 0.620 340 A CB -0.799 18.122 19.000 -0.132 0.000 0.819 340 A HN 0.516 nan 8.150 nan 0.000 0.442 341 L N -0.764 120.390 121.223 -0.114 0.000 2.017 341 L HA -0.173 4.160 4.340 -0.011 0.000 0.208 341 L C 3.231 180.074 176.870 -0.045 0.000 1.073 341 L CA 1.655 56.453 54.840 -0.071 0.000 0.745 341 L CB -0.841 41.199 42.059 -0.032 0.000 0.894 341 L HN 0.618 nan 8.230 nan 0.000 0.432 342 E N 0.438 120.602 120.200 -0.060 0.000 2.058 342 E HA -0.256 4.087 4.350 -0.011 0.000 0.194 342 E C 2.237 178.821 176.600 -0.027 0.000 0.997 342 E CA 1.679 58.054 56.400 -0.041 0.000 0.801 342 E CB -0.958 28.710 29.700 -0.053 0.000 0.746 342 E HN 0.586 nan 8.360 nan 0.000 0.450 343 A N 0.670 123.471 122.820 -0.033 0.000 1.940 343 A HA -0.071 4.242 4.320 -0.011 0.000 0.219 343 A C 2.645 180.226 177.584 -0.006 0.000 1.176 343 A CA 2.139 54.166 52.037 -0.017 0.000 0.631 343 A CB -0.438 18.548 19.000 -0.022 0.000 0.814 343 A HN 0.436 nan 8.150 nan 0.000 0.446 344 S N -0.718 114.974 115.700 -0.013 0.000 2.515 344 S HA 0.060 4.523 4.470 -0.011 0.000 0.231 344 S C 1.481 176.085 174.600 0.007 0.000 0.987 344 S CA 1.077 59.277 58.200 0.001 0.000 0.936 344 S CB -0.213 62.988 63.200 0.002 0.000 0.766 344 S HN 0.592 nan 8.310 nan 0.000 0.528 345 M N 0.572 120.174 119.600 0.003 0.000 2.371 345 M HA 0.154 4.627 4.480 -0.011 0.000 0.246 345 M C -0.029 176.270 176.300 -0.000 0.000 1.103 345 M CA 0.199 55.501 55.300 0.002 0.000 1.010 345 M CB 0.308 32.910 32.600 0.004 0.000 1.457 345 M HN -0.002 nan 8.290 nan 0.000 0.486 346 K N 0.954 121.358 120.400 0.007 0.000 2.258 346 K HA 0.119 4.432 4.320 -0.011 0.000 0.264 346 K C -1.760 174.839 176.600 -0.002 0.000 1.007 346 K CA -1.138 55.162 56.287 0.022 0.000 0.941 346 K CB 0.255 32.783 32.500 0.047 0.000 0.966 346 K HN -0.158 nan 8.250 nan 0.000 0.480 347 P HA -0.068 nan 4.420 nan 0.000 0.219 347 P C -0.324 176.787 177.300 -0.315 0.000 1.150 347 P CA 1.140 64.156 63.100 -0.140 0.000 0.814 347 P CB 0.230 31.878 31.700 -0.088 0.000 0.787 348 F N -0.174 119.777 119.950 0.002 0.000 2.366 348 F HA 0.358 4.878 4.527 -0.011 0.000 0.366 348 F C 0.218 176.021 175.800 0.004 0.000 1.096 348 F CA -0.851 57.152 58.000 0.004 0.000 1.060 348 F CB 0.565 39.566 39.000 0.003 0.000 1.282 348 F HN -0.323 nan 8.300 nan 0.000 0.450 349 I N 2.428 123.067 120.570 0.115 0.000 2.321 349 I HA 0.170 4.333 4.170 -0.011 0.000 0.291 349 I C 1.193 177.363 176.117 0.089 0.000 0.998 349 I CA -0.056 61.291 61.300 0.080 0.000 1.227 349 I CB 1.701 39.724 38.000 0.039 0.000 1.368 349 I HN 0.637 nan 8.210 nan 0.000 0.466 350 S N 2.651 118.397 115.700 0.077 0.000 2.406 350 S HA 0.118 4.581 4.470 -0.011 0.000 0.224 350 S C 0.783 175.411 174.600 0.047 0.000 1.030 350 S CA 0.124 58.364 58.200 0.065 0.000 0.958 350 S CB 0.108 63.338 63.200 0.050 0.000 0.811 350 S HN 0.526 nan 8.310 nan 0.000 0.489 351 S N 1.459 117.181 115.700 0.036 0.000 2.500 351 S HA 0.577 5.040 4.470 -0.011 0.000 0.301 351 S C -0.787 173.828 174.600 0.024 0.000 1.092 351 S CA -0.812 57.405 58.200 0.028 0.000 1.030 351 S CB 1.784 64.994 63.200 0.018 0.000 1.031 351 S HN 0.421 nan 8.310 nan 0.000 0.483 352 K N 2.945 123.362 120.400 0.027 0.000 2.451 352 K HA 0.075 4.388 4.320 -0.011 0.000 0.280 352 K C -0.311 176.295 176.600 0.010 0.000 1.020 352 K CA 0.368 56.671 56.287 0.026 0.000 1.008 352 K CB 0.302 32.824 32.500 0.036 0.000 0.917 352 K HN 0.360 nan 8.250 nan 0.000 0.478 353 Q N 4.301 124.100 119.800 -0.002 0.000 2.279 353 Q HA 0.305 4.639 4.340 -0.011 0.000 0.256 353 Q C -0.309 175.668 176.000 -0.038 0.000 0.937 353 Q CA -0.074 55.711 55.803 -0.030 0.000 0.933 353 Q CB 0.976 29.680 28.738 -0.056 0.000 1.189 353 Q HN 0.587 nan 8.270 nan 0.000 0.417 354 I N 3.979 124.522 120.570 -0.044 0.000 2.439 354 I HA 0.248 4.411 4.170 -0.011 0.000 0.283 354 I C -0.264 175.808 176.117 -0.075 0.000 1.023 354 I CA -0.691 60.584 61.300 -0.043 0.000 1.100 354 I CB 1.341 39.331 38.000 -0.017 0.000 1.238 354 I HN 0.323 nan 8.210 nan 0.000 0.445 355 L N 6.248 127.401 121.223 -0.118 0.000 2.410 355 L HA 0.262 4.596 4.340 -0.011 0.000 0.273 355 L C 0.627 177.445 176.870 -0.086 0.000 1.152 355 L CA 0.116 54.877 54.840 -0.133 0.000 0.855 355 L CB 0.624 42.547 42.059 -0.228 0.000 1.129 355 L HN 0.625 nan 8.230 nan 0.000 0.463 356 T N 1.379 115.887 114.554 -0.076 0.000 2.885 356 T HA 0.832 5.175 4.350 -0.011 0.000 0.285 356 T C -0.300 174.357 174.700 -0.072 0.000 1.019 356 T CA -1.036 61.015 62.100 -0.083 0.000 1.010 356 T CB 2.217 71.040 68.868 -0.075 0.000 1.022 356 T HN 0.445 nan 8.240 nan 0.000 0.466 357 M N 0.000 119.544 119.600 -0.093 0.000 2.572 357 M HA 0.000 4.473 4.480 -0.011 0.000 0.227 357 M CA 0.000 55.256 55.300 -0.074 0.000 0.988 357 M CB 0.000 32.563 32.600 -0.061 0.000 1.302 357 M HN 0.000 nan 8.290 nan 0.000 0.411