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 2wkt_1_D DATA FIRST_RESID 4 DATA SEQUENCE SIVIASAART AVGSFNGAFA NTPAHELGAT VISAVLERAG VAAGEVNEVI DATA SEQUENCE LGQVLPAGEG QNPARQAAMK AGVPQEATAW GMNQLXGSGL RAVALGMQQI DATA SEQUENCE ATGDASIIVA GGMESMSMAP HCAHLRGGVK MGDFKMIDTM IKDGLTDAFY DATA SEQUENCE GYHMGTTAEN VAKQWQLSRD EQDAFAVASQ NKAEAAQKDG RFKDEIVPFI DATA SEQUENCE VKGRKGDITV DADEYIRHGA TLDSMAKLRP AFDKEGTVTA GNASGLNDGA DATA SEQUENCE AAALLMSEAE ASRRGIQPLG RIVSWATVGV DPKVMGTGPI PASRKALERA DATA SEQUENCE GWKIGDLDLV EAAEAFAAQA CAVNKDLGWD PSIVNVNGGA IAIGHPIGAS DATA SEQUENCE GARILNTLLF EMKRRGARKG LATLCIGGGM GVAMCIESL 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.611 174.600 0.018 0.000 1.055 4 S CA 0.000 58.212 58.200 0.021 0.000 1.107 4 S CB 0.000 63.213 63.200 0.021 0.000 0.593 5 I N 4.966 125.547 120.570 0.019 0.000 2.342 5 I HA 0.487 4.657 4.170 -0.000 0.000 0.291 5 I C 0.305 176.429 176.117 0.011 0.000 1.010 5 I CA -0.390 60.917 61.300 0.013 0.000 1.308 5 I CB 0.819 38.825 38.000 0.010 0.000 1.400 5 I HN 0.397 nan 8.210 nan 0.000 0.488 6 V N 5.070 124.987 119.914 0.006 0.000 3.019 6 V HA 0.625 4.745 4.120 -0.000 0.000 0.317 6 V C -0.143 175.947 176.094 -0.006 0.000 1.094 6 V CA -0.922 61.379 62.300 0.002 0.000 1.000 6 V CB 2.503 34.327 31.823 0.002 0.000 1.060 6 V HN 0.453 nan 8.190 nan 0.000 0.443 7 I N 2.637 123.199 120.570 -0.013 0.000 2.310 7 I HA 0.438 4.608 4.170 -0.000 0.000 0.287 7 I C 1.476 177.576 176.117 -0.028 0.000 1.073 7 I CA -0.208 61.080 61.300 -0.021 0.000 1.216 7 I CB 1.250 39.233 38.000 -0.027 0.000 1.415 7 I HN 0.910 nan 8.210 nan 0.000 0.480 8 A N 4.893 127.703 122.820 -0.017 0.000 1.908 8 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 8 A C 1.063 178.635 177.584 -0.020 0.000 1.181 8 A CA 1.734 53.762 52.037 -0.015 0.000 0.627 8 A CB -0.140 18.858 19.000 -0.004 0.000 0.818 8 A HN 0.712 nan 8.150 nan 0.000 0.445 9 S N -3.815 111.880 115.700 -0.009 0.000 2.588 9 S HA 0.750 5.220 4.470 -0.000 0.000 0.269 9 S C -0.755 173.872 174.600 0.045 0.000 1.157 9 S CA -0.152 58.056 58.200 0.014 0.000 0.824 9 S CB 1.234 64.462 63.200 0.047 0.000 1.126 9 S HN 1.704 nan 8.310 nan 0.000 0.464 10 A N 0.211 123.108 122.820 0.129 0.000 2.587 10 A HA 1.053 5.373 4.320 -0.000 0.000 0.293 10 A C -0.605 177.156 177.584 0.294 0.000 1.087 10 A CA -0.479 51.673 52.037 0.192 0.000 0.692 10 A CB 1.121 20.239 19.000 0.198 0.000 1.291 10 A HN 2.365 nan 8.150 nan 0.000 0.407 11 A N 0.603 123.534 122.820 0.185 0.000 2.608 11 A HA 0.926 5.246 4.320 -0.000 0.000 0.292 11 A C -0.745 176.878 177.584 0.065 0.000 1.066 11 A CA -0.195 51.909 52.037 0.112 0.000 0.676 11 A CB 1.310 20.354 19.000 0.073 0.000 1.277 11 A HN 1.993 nan 8.150 nan 0.000 0.413 12 R N -0.458 120.058 120.500 0.027 0.000 2.680 12 R HA 0.739 5.079 4.340 -0.000 0.000 0.269 12 R C -0.304 176.005 176.300 0.015 0.000 1.026 12 R CA 0.024 56.135 56.100 0.018 0.000 0.889 12 R CB 1.107 31.423 30.300 0.026 0.000 1.241 12 R HN 1.031 nan 8.270 nan 0.000 0.463 13 T N -0.285 114.276 114.554 0.011 0.000 2.766 13 T HA 0.526 4.876 4.350 -0.000 0.000 0.295 13 T C 0.810 175.557 174.700 0.077 0.000 1.024 13 T CA -0.260 61.872 62.100 0.053 0.000 1.018 13 T CB 0.890 69.754 68.868 -0.007 0.000 1.002 13 T HN 0.786 nan 8.240 nan 0.000 0.532 14 A N 1.055 123.959 122.820 0.139 0.000 2.466 14 A HA 0.507 4.827 4.320 -0.000 0.000 0.238 14 A C 0.279 177.936 177.584 0.122 0.000 1.074 14 A CA -0.704 51.382 52.037 0.082 0.000 0.774 14 A CB -0.132 18.908 19.000 0.067 0.000 1.015 14 A HN 0.850 nan 8.150 nan 0.000 0.498 15 V N 1.822 121.747 119.914 0.020 0.000 2.432 15 V HA 0.522 4.642 4.120 -0.000 0.000 0.275 15 V C 1.075 177.151 176.094 -0.031 0.000 1.043 15 V CA 0.148 62.464 62.300 0.028 0.000 0.925 15 V CB 0.978 32.790 31.823 -0.018 0.000 0.985 15 V HN 1.110 nan 8.190 nan 0.000 0.466 16 G N 3.179 111.954 108.800 -0.041 0.000 2.412 16 G HA2 0.504 4.464 3.960 -0.000 0.000 0.318 16 G HA3 0.504 4.464 3.960 -0.000 0.000 0.318 16 G C -0.104 174.746 174.900 -0.083 0.000 1.146 16 G CA -0.381 44.594 45.100 -0.208 0.000 0.882 16 G HN 0.666 nan 8.290 nan 0.000 0.501 17 S N -0.212 115.455 115.700 -0.056 0.000 2.603 17 S HA 0.285 4.755 4.470 -0.000 0.000 0.268 17 S C -0.241 174.393 174.600 0.056 0.000 1.317 17 S CA -0.417 57.797 58.200 0.023 0.000 1.012 17 S CB 0.976 64.259 63.200 0.138 0.000 0.926 17 S HN 0.443 nan 8.310 nan 0.000 0.539 18 F N 3.184 123.083 119.950 -0.085 0.000 2.571 18 F HA 0.093 4.619 4.527 -0.000 0.000 0.384 18 F C 1.031 176.825 175.800 -0.010 0.000 1.058 18 F CA -0.289 57.682 58.000 -0.048 0.000 1.200 18 F CB -0.739 38.233 39.000 -0.048 0.000 1.077 18 F HN 0.628 nan 8.300 nan 0.000 0.558 19 N N 2.800 121.233 118.700 -0.446 0.000 2.741 19 N HA -0.191 4.549 4.740 -0.000 0.000 0.250 19 N C 0.354 175.774 175.510 -0.151 0.000 1.115 19 N CA 0.919 53.755 53.050 -0.357 0.000 0.724 19 N CB -1.309 36.902 38.487 -0.460 0.000 1.090 19 N HN 0.823 nan 8.380 nan 0.000 0.558 20 G N -0.239 108.506 108.800 -0.093 0.000 3.365 20 G HA2 0.581 4.541 3.960 -0.000 0.000 0.185 20 G HA3 0.581 4.541 3.960 -0.000 0.000 0.185 20 G C 1.175 176.013 174.900 -0.103 0.000 1.565 20 G CA 0.517 45.569 45.100 -0.080 0.000 0.984 20 G HN 0.272 nan 8.290 nan 0.000 0.604 21 A N -0.706 121.987 122.820 -0.213 0.000 1.958 21 A HA 0.000 4.320 4.320 -0.000 0.000 0.221 21 A C 1.582 179.096 177.584 -0.117 0.000 1.178 21 A CA 1.795 53.655 52.037 -0.295 0.000 0.642 21 A CB -0.489 18.122 19.000 -0.648 0.000 0.816 21 A HN 0.356 nan 8.150 nan 0.000 0.453 22 F N -1.463 118.473 119.950 -0.023 0.000 2.698 22 F HA 0.489 5.016 4.527 -0.000 0.000 0.304 22 F C 2.013 177.778 175.800 -0.058 0.000 1.108 22 F CA -0.888 57.080 58.000 -0.052 0.000 1.263 22 F CB -0.884 38.042 39.000 -0.123 0.000 1.013 22 F HN 0.213 nan 8.300 nan 0.000 0.532 23 A N 0.525 123.395 122.820 0.084 0.000 2.009 23 A HA -0.239 4.081 4.320 -0.000 0.000 0.222 23 A C 1.743 179.333 177.584 0.011 0.000 1.175 23 A CA 2.136 54.171 52.037 -0.003 0.000 0.651 23 A CB -0.412 18.555 19.000 -0.054 0.000 0.815 23 A HN 0.364 nan 8.150 nan 0.000 0.459 24 N N -0.975 117.754 118.700 0.048 0.000 2.238 24 N HA 0.089 4.829 4.740 -0.000 0.000 0.235 24 N C -0.904 174.630 175.510 0.040 0.000 1.209 24 N CA 0.159 53.231 53.050 0.037 0.000 0.879 24 N CB 0.850 39.358 38.487 0.036 0.000 1.136 24 N HN 0.231 nan 8.380 nan 0.000 0.517 25 T N 2.533 117.106 114.554 0.031 0.000 2.756 25 T HA 0.356 4.706 4.350 -0.000 0.000 0.290 25 T C -2.611 172.017 174.700 -0.120 0.000 0.985 25 T CA -1.367 60.707 62.100 -0.043 0.000 0.955 25 T CB 2.072 70.860 68.868 -0.134 0.000 0.930 25 T HN -0.073 nan 8.240 nan 0.000 0.451 26 P HA 0.195 nan 4.420 nan 0.000 0.268 26 P C 0.727 177.899 177.300 -0.213 0.000 1.204 26 P CA -0.215 62.825 63.100 -0.101 0.000 0.768 26 P CB 0.501 32.177 31.700 -0.040 0.000 0.842 27 A N 4.281 127.032 122.820 -0.115 0.000 1.940 27 A HA -0.283 4.037 4.320 -0.000 0.000 0.221 27 A C 1.995 179.483 177.584 -0.161 0.000 1.190 27 A CA 2.156 54.106 52.037 -0.145 0.000 0.647 27 A CB -1.807 17.157 19.000 -0.061 0.000 0.821 27 A HN 0.807 nan 8.150 nan 0.000 0.457 28 H N -0.824 118.194 119.070 -0.088 0.000 2.421 28 H HA -0.069 4.487 4.556 -0.000 0.000 0.298 28 H C 1.575 176.870 175.328 -0.055 0.000 1.087 28 H CA 1.488 57.497 56.048 -0.065 0.000 1.330 28 H CB -0.525 29.216 29.762 -0.036 0.000 1.388 28 H HN 0.665 nan 8.280 nan 0.000 0.526 29 E N 0.912 120.701 120.200 -0.686 0.000 2.077 29 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 29 E C 2.622 179.118 176.600 -0.173 0.000 0.989 29 E CA 1.084 57.280 56.400 -0.339 0.000 0.800 29 E CB 0.079 29.634 29.700 -0.241 0.000 0.746 29 E HN 0.459 nan 8.360 nan 0.000 0.452 30 L N 0.175 121.143 121.223 -0.424 0.000 2.093 30 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 30 L C 2.606 179.343 176.870 -0.221 0.000 1.085 30 L CA 1.029 55.556 54.840 -0.521 0.000 0.755 30 L CB -0.718 40.937 42.059 -0.673 0.000 0.904 30 L HN 0.215 nan 8.230 nan 0.000 0.435 31 G N 0.041 108.749 108.800 -0.154 0.000 2.446 31 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 31 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 31 G C 1.788 176.670 174.900 -0.030 0.000 1.168 31 G CA 0.906 45.961 45.100 -0.075 0.000 0.771 31 G HN 0.460 nan 8.290 nan 0.000 0.551 32 A N 0.064 122.881 122.820 -0.004 0.000 1.933 32 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 32 A C 2.526 180.131 177.584 0.036 0.000 1.175 32 A CA 2.438 54.492 52.037 0.028 0.000 0.628 32 A CB -0.888 18.141 19.000 0.049 0.000 0.814 32 A HN 0.307 nan 8.150 nan 0.000 0.444 33 T N -0.617 113.977 114.554 0.066 0.000 2.746 33 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 33 T C 1.856 176.586 174.700 0.049 0.000 1.039 33 T CA 1.524 63.680 62.100 0.092 0.000 1.142 33 T CB -0.348 68.663 68.868 0.237 0.000 0.866 33 T HN 0.137 nan 8.240 nan 0.000 0.444 34 V N 1.276 121.203 119.914 0.022 0.000 2.358 34 V HA -0.106 4.014 4.120 -0.000 0.000 0.246 34 V C 2.331 178.432 176.094 0.011 0.000 1.047 34 V CA 1.336 63.642 62.300 0.011 0.000 1.035 34 V CB -0.525 31.290 31.823 -0.014 0.000 0.658 34 V HN 0.490 nan 8.190 nan 0.000 0.452 35 I N -0.186 120.386 120.570 0.003 0.000 2.163 35 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 35 I C 2.551 178.676 176.117 0.012 0.000 1.085 35 I CA 1.773 63.074 61.300 0.002 0.000 1.347 35 I CB -0.573 37.425 38.000 -0.003 0.000 1.044 35 I HN 0.247 nan 8.210 nan 0.000 0.408 36 S N 0.896 116.606 115.700 0.017 0.000 2.370 36 S HA -0.188 4.281 4.470 -0.000 0.000 0.226 36 S C 2.261 176.874 174.600 0.022 0.000 1.033 36 S CA 1.367 59.577 58.200 0.018 0.000 1.011 36 S CB -0.449 62.761 63.200 0.016 0.000 0.852 36 S HN 0.562 nan 8.310 nan 0.000 0.457 37 A N 1.456 124.293 122.820 0.028 0.000 1.933 37 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 37 A C 2.441 180.052 177.584 0.045 0.000 1.175 37 A CA 1.690 53.748 52.037 0.036 0.000 0.628 37 A CB -0.928 18.095 19.000 0.039 0.000 0.814 37 A HN 0.534 nan 8.150 nan 0.000 0.444 38 V N -2.920 117.019 119.914 0.042 0.000 2.488 38 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 38 V C 2.158 178.273 176.094 0.035 0.000 1.046 38 V CA 1.302 63.630 62.300 0.047 0.000 1.053 38 V CB -0.966 30.879 31.823 0.036 0.000 0.679 38 V HN 0.231 nan 8.190 nan 0.000 0.458 39 L N 0.998 122.236 121.223 0.025 0.000 1.976 39 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 39 L C 2.779 179.663 176.870 0.023 0.000 1.071 39 L CA 2.113 56.965 54.840 0.020 0.000 0.746 39 L CB -1.561 40.507 42.059 0.015 0.000 0.890 39 L HN 0.420 nan 8.230 nan 0.000 0.432 40 E N -0.803 119.412 120.200 0.025 0.000 2.097 40 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 40 E C 2.302 178.921 176.600 0.032 0.000 1.000 40 E CA 1.275 57.690 56.400 0.025 0.000 0.804 40 E CB -0.109 29.606 29.700 0.024 0.000 0.740 40 E HN 0.399 nan 8.360 nan 0.000 0.454 41 R N -0.263 120.263 120.500 0.043 0.000 2.153 41 R HA 0.041 4.381 4.340 -0.000 0.000 0.218 41 R C 1.924 178.252 176.300 0.047 0.000 1.072 41 R CA 0.890 57.025 56.100 0.058 0.000 0.990 41 R CB 0.112 30.467 30.300 0.091 0.000 0.889 41 R HN 0.057 nan 8.270 nan 0.000 0.452 42 A N -0.077 122.764 122.820 0.036 0.000 2.267 42 A HA 0.254 4.574 4.320 -0.000 0.000 0.213 42 A C 1.201 178.797 177.584 0.020 0.000 1.192 42 A CA 0.540 52.592 52.037 0.025 0.000 0.851 42 A CB 0.212 19.224 19.000 0.019 0.000 0.881 42 A HN 0.352 nan 8.150 nan 0.000 0.494 43 G N -0.609 108.203 108.800 0.021 0.000 2.246 43 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.273 43 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.273 43 G C -0.099 174.809 174.900 0.013 0.000 1.055 43 G CA 0.330 45.440 45.100 0.017 0.000 0.851 43 G HN 0.845 nan 8.290 nan 0.000 0.500 44 V N 0.214 120.136 119.914 0.014 0.000 2.459 44 V HA 0.805 4.925 4.120 -0.000 0.000 0.295 44 V C 0.829 176.930 176.094 0.011 0.000 1.029 44 V CA -0.452 61.854 62.300 0.011 0.000 0.874 44 V CB 1.680 33.509 31.823 0.010 0.000 0.985 44 V HN 1.142 nan 8.190 nan 0.000 0.438 45 A N 3.503 126.329 122.820 0.009 0.000 2.407 45 A HA 0.629 4.949 4.320 -0.000 0.000 0.248 45 A C 1.476 179.065 177.584 0.008 0.000 1.082 45 A CA 0.392 52.434 52.037 0.009 0.000 0.785 45 A CB 0.605 19.610 19.000 0.008 0.000 1.020 45 A HN 1.355 nan 8.150 nan 0.000 0.489 46 A N 2.154 124.979 122.820 0.008 0.000 1.972 46 A HA 0.090 4.410 4.320 -0.000 0.000 0.219 46 A C 2.094 179.683 177.584 0.008 0.000 1.169 46 A CA 1.985 54.027 52.037 0.008 0.000 0.635 46 A CB -1.013 17.992 19.000 0.009 0.000 0.810 46 A HN 1.448 nan 8.150 nan 0.000 0.446 47 G N -0.820 107.985 108.800 0.008 0.000 2.535 47 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.218 47 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.218 47 G C 1.216 176.122 174.900 0.009 0.000 1.122 47 G CA 0.840 45.946 45.100 0.009 0.000 0.769 47 G HN 0.671 nan 8.290 nan 0.000 0.549 48 E N -0.535 119.670 120.200 0.009 0.000 2.474 48 E HA 0.114 4.464 4.350 -0.000 0.000 0.194 48 E C 0.254 176.859 176.600 0.009 0.000 1.041 48 E CA -0.418 55.987 56.400 0.009 0.000 0.874 48 E CB 0.588 30.293 29.700 0.008 0.000 0.914 48 E HN 0.169 nan 8.360 nan 0.000 0.498 49 V N 2.468 122.387 119.914 0.008 0.000 2.479 49 V HA -0.059 4.061 4.120 -0.000 0.000 0.281 49 V C 0.827 176.929 176.094 0.013 0.000 1.031 49 V CA 0.414 62.719 62.300 0.008 0.000 1.038 49 V CB 0.832 32.657 31.823 0.004 0.000 0.981 49 V HN 0.240 nan 8.190 nan 0.000 0.478 50 N N 3.191 121.901 118.700 0.017 0.000 2.171 50 N HA 0.001 4.741 4.740 -0.000 0.000 0.184 50 N C 0.513 176.046 175.510 0.038 0.000 1.021 50 N CA 0.763 53.828 53.050 0.026 0.000 0.854 50 N CB 0.353 38.858 38.487 0.030 0.000 0.994 50 N HN 0.825 nan 8.380 nan 0.000 0.426 51 E N -0.302 119.917 120.200 0.033 0.000 2.363 51 E HA 0.330 4.680 4.350 -0.000 0.000 0.281 51 E C -1.922 174.670 176.600 -0.014 0.000 0.953 51 E CA -0.511 55.916 56.400 0.045 0.000 0.778 51 E CB 1.849 31.617 29.700 0.113 0.000 1.220 51 E HN -0.262 nan 8.360 nan 0.000 0.431 52 V N 4.687 124.572 119.914 -0.047 0.000 2.459 52 V HA 0.525 4.645 4.120 -0.000 0.000 0.295 52 V C -0.253 175.668 176.094 -0.288 0.000 1.029 52 V CA -0.534 61.691 62.300 -0.123 0.000 0.874 52 V CB 1.424 33.198 31.823 -0.081 0.000 0.985 52 V HN 0.543 nan 8.190 nan 0.000 0.438 53 I N 6.045 126.375 120.570 -0.400 0.000 2.439 53 I HA 0.470 4.640 4.170 -0.000 0.000 0.283 53 I C -0.965 174.864 176.117 -0.480 0.000 1.023 53 I CA -0.239 60.619 61.300 -0.738 0.000 1.100 53 I CB 1.543 39.004 38.000 -0.900 0.000 1.238 53 I HN 0.325 nan 8.210 nan 0.000 0.445 54 L N 5.460 126.441 121.223 -0.403 0.000 2.349 54 L HA 0.605 4.945 4.340 -0.000 0.000 0.278 54 L C 0.685 177.436 176.870 -0.199 0.000 0.996 54 L CA -0.646 54.050 54.840 -0.241 0.000 0.825 54 L CB 1.937 43.905 42.059 -0.152 0.000 1.243 54 L HN 0.644 nan 8.230 nan 0.000 0.412 55 G N 2.200 110.902 108.800 -0.164 0.000 2.442 55 G HA2 0.393 4.353 3.960 -0.000 0.000 0.249 55 G HA3 0.393 4.353 3.960 -0.000 0.000 0.249 55 G C -0.754 174.099 174.900 -0.078 0.000 1.263 55 G CA 0.047 45.082 45.100 -0.107 0.000 0.846 55 G HN 0.650 nan 8.290 nan 0.000 0.555 56 Q N 1.401 121.171 119.800 -0.051 0.000 2.507 56 Q HA 0.203 4.543 4.340 -0.000 0.000 0.242 56 Q C -0.703 175.283 176.000 -0.023 0.000 0.911 56 Q CA -0.705 55.073 55.803 -0.041 0.000 1.019 56 Q CB 1.553 30.270 28.738 -0.035 0.000 1.523 56 Q HN 0.310 nan 8.270 nan 0.000 0.459 57 V N 3.915 123.813 119.914 -0.028 0.000 3.125 57 V HA 0.132 4.252 4.120 -0.000 0.000 0.249 57 V C 0.577 176.663 176.094 -0.014 0.000 1.113 57 V CA 0.639 62.927 62.300 -0.019 0.000 1.106 57 V CB 0.262 32.069 31.823 -0.028 0.000 0.768 57 V HN 0.667 nan 8.190 nan 0.000 0.468 58 L N 2.225 123.439 121.223 -0.014 0.000 2.556 58 L HA 0.349 4.689 4.340 -0.000 0.000 0.243 58 L C -1.849 175.023 176.870 0.004 0.000 1.331 58 L CA -0.783 54.054 54.840 -0.005 0.000 0.927 58 L CB 1.389 43.446 42.059 -0.003 0.000 1.219 58 L HN 0.115 nan 8.230 nan 0.000 0.490 59 P HA 0.060 nan 4.420 nan 0.000 0.251 59 P C 0.729 178.039 177.300 0.017 0.000 1.223 59 P CA 0.084 63.191 63.100 0.012 0.000 0.796 59 P CB 0.466 32.172 31.700 0.010 0.000 1.068 60 A N 0.894 123.724 122.820 0.016 0.000 2.580 60 A HA 0.338 4.658 4.320 -0.000 0.000 0.244 60 A C 1.588 179.189 177.584 0.028 0.000 1.045 60 A CA 1.016 53.065 52.037 0.021 0.000 0.761 60 A CB -1.363 17.649 19.000 0.021 0.000 0.962 60 A HN 0.418 nan 8.150 nan 0.000 0.512 61 G N 1.567 110.383 108.800 0.027 0.000 2.176 61 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.253 61 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.253 61 G C 0.680 175.597 174.900 0.028 0.000 0.979 61 G CA 0.825 45.944 45.100 0.031 0.000 0.641 61 G HN 0.923 nan 8.290 nan 0.000 0.530 62 E N 0.231 120.445 120.200 0.024 0.000 2.447 62 E HA 0.430 4.780 4.350 -0.000 0.000 0.195 62 E C 1.286 177.874 176.600 -0.020 0.000 1.028 62 E CA 1.000 57.415 56.400 0.024 0.000 0.876 62 E CB 0.012 29.738 29.700 0.043 0.000 0.885 62 E HN 1.738 nan 8.360 nan 0.000 0.500 63 G N 0.986 109.774 108.800 -0.019 0.000 2.662 63 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.686 63 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.686 63 G C -0.900 173.976 174.900 -0.041 0.000 1.271 63 G CA -0.570 44.509 45.100 -0.036 0.000 0.816 63 G HN 0.227 nan 8.290 nan 0.000 0.608 64 Q N 0.227 120.007 119.800 -0.033 0.000 2.485 64 Q HA 0.031 4.371 4.340 -0.000 0.000 0.348 64 Q C 1.112 177.094 176.000 -0.031 0.000 1.097 64 Q CA 1.115 56.904 55.803 -0.024 0.000 1.079 64 Q CB 0.120 28.847 28.738 -0.019 0.000 1.108 64 Q HN 0.958 nan 8.270 nan 0.000 0.400 65 N N 3.212 121.907 118.700 -0.008 0.000 2.652 65 N HA -0.174 4.566 4.740 -0.000 0.000 0.281 65 N C -2.304 173.192 175.510 -0.022 0.000 1.084 65 N CA 0.085 53.138 53.050 0.005 0.000 0.775 65 N CB -0.103 38.399 38.487 0.024 0.000 0.923 65 N HN 0.396 nan 8.380 nan 0.000 0.558 66 P HA -0.161 nan 4.420 nan 0.000 0.218 66 P C 1.056 178.350 177.300 -0.011 0.000 1.146 66 P CA 2.034 65.110 63.100 -0.040 0.000 0.820 66 P CB 0.035 31.739 31.700 0.006 0.000 0.778 67 A N -0.460 122.355 122.820 -0.009 0.000 1.930 67 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 67 A C 2.388 179.965 177.584 -0.012 0.000 1.175 67 A CA 1.681 53.704 52.037 -0.023 0.000 0.627 67 A CB -0.953 18.013 19.000 -0.056 0.000 0.815 67 A HN 0.011 nan 8.150 nan 0.000 0.443 68 R N 0.239 120.739 120.500 -0.000 0.000 2.073 68 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 68 R C 2.225 178.517 176.300 -0.013 0.000 1.134 68 R CA 2.220 58.321 56.100 0.002 0.000 0.952 68 R CB -0.689 29.616 30.300 0.009 0.000 0.850 68 R HN 0.684 nan 8.270 nan 0.000 0.433 69 Q N -0.505 119.264 119.800 -0.052 0.000 2.061 69 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 69 Q C 2.149 178.175 176.000 0.042 0.000 0.984 69 Q CA 1.841 57.589 55.803 -0.092 0.000 0.846 69 Q CB -0.302 28.211 28.738 -0.376 0.000 0.902 69 Q HN 0.480 nan 8.270 nan 0.000 0.421 70 A N 1.274 124.144 122.820 0.084 0.000 1.877 70 A HA -0.114 4.205 4.320 -0.000 0.000 0.216 70 A C 2.360 179.977 177.584 0.055 0.000 1.186 70 A CA 1.612 53.716 52.037 0.112 0.000 0.620 70 A CB -0.873 18.166 19.000 0.066 0.000 0.822 70 A HN 0.402 nan 8.150 nan 0.000 0.443 71 A N -0.725 122.110 122.820 0.024 0.000 1.908 71 A HA -0.152 4.167 4.320 -0.000 0.000 0.218 71 A C 2.222 179.818 177.584 0.020 0.000 1.181 71 A CA 1.985 54.029 52.037 0.012 0.000 0.627 71 A CB -0.497 18.504 19.000 0.002 0.000 0.818 71 A HN 0.468 nan 8.150 nan 0.000 0.445 72 M N -0.816 118.798 119.600 0.023 0.000 2.254 72 M HA -0.072 4.408 4.480 -0.000 0.000 0.265 72 M C 2.142 178.461 176.300 0.031 0.000 1.066 72 M CA 1.576 56.889 55.300 0.022 0.000 1.123 72 M CB -0.743 31.865 32.600 0.013 0.000 1.388 72 M HN 0.542 nan 8.290 nan 0.000 0.425 73 K N 0.579 121.010 120.400 0.052 0.000 2.217 73 K HA -0.008 4.312 4.320 -0.000 0.000 0.202 73 K C 1.635 178.259 176.600 0.039 0.000 1.051 73 K CA 1.076 57.398 56.287 0.059 0.000 0.952 73 K CB 0.126 32.689 32.500 0.105 0.000 0.736 73 K HN 0.218 nan 8.250 nan 0.000 0.453 74 A N 0.005 122.846 122.820 0.034 0.000 2.238 74 A HA 0.194 4.514 4.320 -0.000 0.000 0.208 74 A C 1.350 178.944 177.584 0.017 0.000 1.177 74 A CA 0.920 52.971 52.037 0.023 0.000 0.804 74 A CB -0.217 18.795 19.000 0.020 0.000 0.823 74 A HN 0.542 nan 8.150 nan 0.000 0.482 75 G N -1.817 106.993 108.800 0.017 0.000 2.213 75 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.226 75 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.226 75 G C 0.225 175.132 174.900 0.012 0.000 0.992 75 G CA -0.084 45.023 45.100 0.013 0.000 0.632 75 G HN 0.787 nan 8.290 nan 0.000 0.511 76 V N 4.175 124.096 119.914 0.012 0.000 2.475 76 V HA 0.264 4.384 4.120 -0.000 0.000 0.292 76 V C -0.518 175.584 176.094 0.012 0.000 1.003 76 V CA -0.334 61.973 62.300 0.011 0.000 1.120 76 V CB 0.369 32.197 31.823 0.009 0.000 0.937 76 V HN 0.359 nan 8.190 nan 0.000 0.476 77 P HA 0.002 nan 4.420 nan 0.000 0.272 77 P C 0.681 177.989 177.300 0.012 0.000 1.248 77 P CA -0.210 62.896 63.100 0.011 0.000 0.799 77 P CB 0.500 32.206 31.700 0.010 0.000 0.997 78 Q N -0.278 119.528 119.800 0.011 0.000 2.230 78 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 78 Q C 1.891 177.899 176.000 0.014 0.000 0.963 78 Q CA 1.202 57.012 55.803 0.012 0.000 0.866 78 Q CB -0.503 28.240 28.738 0.009 0.000 0.931 78 Q HN 0.506 nan 8.270 nan 0.000 0.452 79 E N 1.365 121.573 120.200 0.013 0.000 2.160 79 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 79 E C 0.405 177.017 176.600 0.020 0.000 0.991 79 E CA 0.637 57.045 56.400 0.014 0.000 0.810 79 E CB -0.009 29.698 29.700 0.012 0.000 0.742 79 E HN 0.478 nan 8.360 nan 0.000 0.466 80 A N 0.446 123.279 122.820 0.022 0.000 2.346 80 A HA 0.246 4.566 4.320 -0.000 0.000 0.255 80 A C 0.436 178.044 177.584 0.041 0.000 1.113 80 A CA 0.315 52.370 52.037 0.029 0.000 0.798 80 A CB 0.349 19.364 19.000 0.025 0.000 1.073 80 A HN 0.334 nan 8.150 nan 0.000 0.502 81 T N -2.530 112.060 114.554 0.061 0.000 2.942 81 T HA 0.810 5.160 4.350 -0.000 0.000 0.289 81 T C -0.438 174.332 174.700 0.117 0.000 1.044 81 T CA -0.089 62.066 62.100 0.092 0.000 1.023 81 T CB 1.757 70.694 68.868 0.115 0.000 1.123 81 T HN 1.983 nan 8.240 nan 0.000 0.512 82 A N 1.353 124.266 122.820 0.154 0.000 2.572 82 A HA 0.824 5.144 4.320 -0.000 0.000 0.295 82 A C -1.675 176.076 177.584 0.278 0.000 1.072 82 A CA -1.082 51.037 52.037 0.137 0.000 0.691 82 A CB 1.472 20.497 19.000 0.041 0.000 1.291 82 A HN 1.138 nan 8.150 nan 0.000 0.404 83 W N 0.717 122.006 121.300 -0.018 0.000 3.248 83 W HA 0.693 5.353 4.660 -0.000 0.000 0.311 83 W C -0.380 176.127 176.519 -0.020 0.000 1.258 83 W CA -0.837 56.496 57.345 -0.019 0.000 1.191 83 W CB 0.890 30.338 29.460 -0.020 0.000 1.389 83 W HN 1.225 nan 8.180 nan 0.000 0.561 84 G N 1.505 110.404 108.800 0.164 0.000 2.434 84 G HA2 0.796 4.756 3.960 -0.000 0.000 0.330 84 G HA3 0.796 4.756 3.960 -0.000 0.000 0.330 84 G C -1.140 173.850 174.900 0.150 0.000 1.155 84 G CA -1.010 44.106 45.100 0.026 0.000 0.917 84 G HN 0.596 nan 8.290 nan 0.000 0.493 85 M N -0.287 119.334 119.600 0.035 0.000 2.531 85 M HA 0.614 5.094 4.480 -0.000 0.000 0.286 85 M C -1.437 174.887 176.300 0.040 0.000 1.232 85 M CA -1.255 54.111 55.300 0.110 0.000 0.877 85 M CB 2.296 35.007 32.600 0.185 0.000 1.726 85 M HN 0.323 nan 8.290 nan 0.000 0.463 86 N N 1.238 119.974 118.700 0.059 0.000 2.540 86 N HA 0.361 5.101 4.740 -0.000 0.000 0.275 86 N C -1.742 173.795 175.510 0.045 0.000 1.053 86 N CA -0.065 53.005 53.050 0.034 0.000 0.876 86 N CB 1.661 40.165 38.487 0.029 0.000 1.284 86 N HN 0.936 nan 8.380 nan 0.000 0.518 87 Q N 5.461 125.285 119.800 0.039 0.000 2.318 87 Q HA 0.335 4.675 4.340 -0.000 0.000 0.371 87 Q C -0.238 175.791 176.000 0.048 0.000 0.896 87 Q CA -0.392 55.444 55.803 0.054 0.000 1.134 87 Q CB 0.002 28.780 28.738 0.068 0.000 1.329 87 Q HN 0.725 nan 8.270 nan 0.000 0.413 91 S N 1.056 116.762 115.700 0.009 0.000 2.369 91 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 91 S C 2.541 177.113 174.600 -0.046 0.000 1.043 91 S CA 2.211 60.399 58.200 -0.019 0.000 1.074 91 S CB -0.757 62.424 63.200 -0.031 0.000 0.962 91 S HN 0.783 nan 8.310 nan 0.000 0.433 92 G N 1.327 110.100 108.800 -0.046 0.000 2.476 92 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 92 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 92 G C 1.394 176.266 174.900 -0.047 0.000 1.164 92 G CA 1.233 46.300 45.100 -0.055 0.000 0.768 92 G HN 0.406 nan 8.290 nan 0.000 0.560 93 L N 0.233 121.445 121.223 -0.017 0.000 2.095 93 L HA 0.263 4.602 4.340 -0.000 0.000 0.204 93 L C 2.685 179.522 176.870 -0.055 0.000 1.080 93 L CA 1.618 56.452 54.840 -0.010 0.000 0.759 93 L CB -0.627 41.458 42.059 0.042 0.000 0.914 93 L HN 0.166 nan 8.230 nan 0.000 0.439 94 R N 0.414 120.883 120.500 -0.052 0.000 2.091 94 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 94 R C 2.161 178.350 176.300 -0.185 0.000 1.136 94 R CA 1.733 57.764 56.100 -0.115 0.000 0.959 94 R CB -1.002 29.271 30.300 -0.045 0.000 0.856 94 R HN 0.464 nan 8.270 nan 0.000 0.437 95 A N -0.372 122.354 122.820 -0.157 0.000 1.948 95 A HA -0.140 4.179 4.320 -0.000 0.000 0.220 95 A C 2.293 179.750 177.584 -0.211 0.000 1.177 95 A CA 1.928 53.836 52.037 -0.216 0.000 0.636 95 A CB -0.685 18.174 19.000 -0.235 0.000 0.815 95 A HN 0.199 nan 8.150 nan 0.000 0.449 96 V N -0.363 119.448 119.914 -0.171 0.000 2.427 96 V HA -0.198 3.921 4.120 -0.000 0.000 0.248 96 V C 3.001 178.973 176.094 -0.203 0.000 1.051 96 V CA 1.748 63.958 62.300 -0.149 0.000 1.048 96 V CB -1.338 30.428 31.823 -0.095 0.000 0.666 96 V HN 0.614 nan 8.190 nan 0.000 0.456 97 A N 0.135 122.768 122.820 -0.312 0.000 1.902 97 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 97 A C 2.235 179.530 177.584 -0.483 0.000 1.181 97 A CA 1.832 53.523 52.037 -0.576 0.000 0.623 97 A CB -0.561 17.784 19.000 -1.091 0.000 0.818 97 A HN 0.498 nan 8.150 nan 0.000 0.443 98 L N -0.703 120.315 121.223 -0.342 0.000 2.046 98 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 98 L C 2.862 179.689 176.870 -0.072 0.000 1.077 98 L CA 1.124 55.874 54.840 -0.149 0.000 0.747 98 L CB -0.861 41.189 42.059 -0.015 0.000 0.896 98 L HN 0.490 nan 8.230 nan 0.000 0.432 99 G N -0.355 108.377 108.800 -0.112 0.000 2.446 99 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.217 99 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.217 99 G C 1.600 176.468 174.900 -0.054 0.000 1.168 99 G CA 0.776 45.833 45.100 -0.072 0.000 0.771 99 G HN 0.196 nan 8.290 nan 0.000 0.551 100 M N 0.456 120.003 119.600 -0.087 0.000 2.144 100 M HA -0.148 4.332 4.480 -0.000 0.000 0.260 100 M C 2.410 178.691 176.300 -0.032 0.000 1.067 100 M CA 1.793 57.057 55.300 -0.061 0.000 1.095 100 M CB -0.638 31.911 32.600 -0.085 0.000 1.365 100 M HN 0.365 nan 8.290 nan 0.000 0.406 101 Q N -0.580 119.193 119.800 -0.045 0.000 2.123 101 Q HA -0.171 4.169 4.340 -0.000 0.000 0.199 101 Q C 2.026 178.040 176.000 0.024 0.000 0.966 101 Q CA 1.184 56.986 55.803 -0.001 0.000 0.845 101 Q CB -0.033 28.701 28.738 -0.007 0.000 0.907 101 Q HN 0.543 nan 8.270 nan 0.000 0.439 102 Q N 0.459 120.279 119.800 0.032 0.000 2.077 102 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 102 Q C 2.052 178.070 176.000 0.030 0.000 0.989 102 Q CA 1.463 57.293 55.803 0.045 0.000 0.853 102 Q CB -0.384 28.394 28.738 0.067 0.000 0.907 102 Q HN 0.402 nan 8.270 nan 0.000 0.418 103 I N 0.729 121.311 120.570 0.020 0.000 2.233 103 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 103 I C 2.323 178.452 176.117 0.019 0.000 1.093 103 I CA 1.135 62.445 61.300 0.017 0.000 1.380 103 I CB -0.545 37.461 38.000 0.010 0.000 1.067 103 I HN 0.085 nan 8.210 nan 0.000 0.413 104 A N 0.269 123.101 122.820 0.021 0.000 1.940 104 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 104 A C 2.314 179.914 177.584 0.027 0.000 1.176 104 A CA 2.323 54.376 52.037 0.026 0.000 0.631 104 A CB -1.335 17.687 19.000 0.036 0.000 0.814 104 A HN 0.520 nan 8.150 nan 0.000 0.446 105 T N -3.983 110.588 114.554 0.028 0.000 3.148 105 T HA 0.389 4.739 4.350 -0.000 0.000 0.253 105 T C 1.310 176.022 174.700 0.020 0.000 1.134 105 T CA 0.976 63.091 62.100 0.025 0.000 1.051 105 T CB -0.198 68.685 68.868 0.026 0.000 0.959 105 T HN 1.702 nan 8.240 nan 0.000 0.525 106 G N 1.676 110.487 108.800 0.019 0.000 2.160 106 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.251 106 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.251 106 G C 0.367 175.277 174.900 0.016 0.000 1.008 106 G CA 0.278 45.387 45.100 0.016 0.000 0.724 106 G HN 0.550 nan 8.290 nan 0.000 0.514 107 D N -0.004 120.408 120.400 0.019 0.000 2.354 107 D HA 0.487 5.127 4.640 -0.000 0.000 0.209 107 D C 1.332 177.647 176.300 0.025 0.000 1.015 107 D CA 1.364 55.376 54.000 0.020 0.000 0.867 107 D CB 0.507 41.320 40.800 0.021 0.000 0.933 107 D HN 1.062 nan 8.370 nan 0.000 0.520 108 A N -0.929 121.906 122.820 0.026 0.000 2.609 108 A HA 0.579 4.899 4.320 -0.000 0.000 0.291 108 A C 0.344 177.940 177.584 0.019 0.000 1.096 108 A CA -0.428 51.625 52.037 0.026 0.000 0.684 108 A CB 1.283 20.304 19.000 0.036 0.000 1.282 108 A HN -0.120 nan 8.150 nan 0.000 0.412 109 S N -0.498 115.212 115.700 0.016 0.000 2.545 109 S HA 0.402 4.872 4.470 -0.000 0.000 0.232 109 S C 0.245 174.851 174.600 0.009 0.000 1.070 109 S CA 0.623 58.831 58.200 0.012 0.000 0.923 109 S CB 0.061 63.268 63.200 0.011 0.000 0.806 109 S HN 0.532 nan 8.310 nan 0.000 0.506 110 I N 2.429 123.005 120.570 0.009 0.000 2.512 110 I HA 0.386 4.556 4.170 -0.000 0.000 0.287 110 I C -1.558 174.561 176.117 0.002 0.000 1.069 110 I CA -0.450 60.853 61.300 0.005 0.000 1.056 110 I CB 2.019 40.022 38.000 0.005 0.000 1.229 110 I HN 0.056 nan 8.210 nan 0.000 0.429 111 I N 6.590 127.156 120.570 -0.008 0.000 2.569 111 I HA 0.465 4.635 4.170 -0.000 0.000 0.296 111 I C -0.289 175.808 176.117 -0.033 0.000 1.028 111 I CA -0.939 60.349 61.300 -0.021 0.000 1.082 111 I CB 2.173 40.156 38.000 -0.029 0.000 1.264 111 I HN 0.086 nan 8.210 nan 0.000 0.429 112 V N 4.328 124.214 119.914 -0.047 0.000 2.370 112 V HA 0.803 4.923 4.120 -0.000 0.000 0.283 112 V C 0.151 176.185 176.094 -0.101 0.000 1.023 112 V CA -0.434 61.832 62.300 -0.057 0.000 0.857 112 V CB 1.402 33.200 31.823 -0.043 0.000 0.985 112 V HN 0.913 nan 8.190 nan 0.000 0.443 113 A N 3.579 126.338 122.820 -0.103 0.000 2.486 113 A HA 1.033 5.353 4.320 -0.000 0.000 0.300 113 A C 0.015 177.530 177.584 -0.116 0.000 1.048 113 A CA 0.152 52.100 52.037 -0.148 0.000 0.696 113 A CB 2.089 20.996 19.000 -0.154 0.000 1.278 113 A HN 1.398 nan 8.150 nan 0.000 0.405 114 G N -0.274 108.444 108.800 -0.137 0.000 2.441 114 G HA2 0.687 4.647 3.960 -0.000 0.000 0.225 114 G HA3 0.687 4.647 3.960 -0.000 0.000 0.225 114 G C -0.270 174.562 174.900 -0.114 0.000 1.200 114 G CA 0.461 45.501 45.100 -0.100 0.000 0.947 114 G HN 1.909 nan 8.290 nan 0.000 0.484 115 G N -0.728 108.018 108.800 -0.091 0.000 2.690 115 G HA2 0.800 4.760 3.960 -0.000 0.000 0.291 115 G HA3 0.800 4.760 3.960 -0.000 0.000 0.291 115 G C -0.691 174.156 174.900 -0.089 0.000 1.403 115 G CA -0.095 44.949 45.100 -0.093 0.000 0.864 115 G HN 1.452 nan 8.290 nan 0.000 0.480 116 M N -0.441 119.105 119.600 -0.090 0.000 2.465 116 M HA 0.897 5.377 4.480 -0.000 0.000 0.284 116 M C -1.682 174.566 176.300 -0.087 0.000 1.212 116 M CA -0.964 54.277 55.300 -0.097 0.000 0.910 116 M CB 2.798 35.339 32.600 -0.098 0.000 1.725 116 M HN 0.467 nan 8.290 nan 0.000 0.477 117 E N 0.691 120.835 120.200 -0.094 0.000 2.354 117 E HA 0.523 4.873 4.350 -0.000 0.000 0.283 117 E C -1.959 174.604 176.600 -0.062 0.000 0.938 117 E CA -0.206 56.151 56.400 -0.071 0.000 0.777 117 E CB 2.499 32.152 29.700 -0.078 0.000 1.222 117 E HN 0.724 nan 8.360 nan 0.000 0.423 118 S N 4.790 120.471 115.700 -0.033 0.000 2.399 118 S HA 0.290 4.760 4.470 -0.000 0.000 0.215 118 S C 0.466 175.096 174.600 0.049 0.000 1.456 118 S CA -0.387 57.812 58.200 -0.002 0.000 1.199 118 S CB 0.040 63.224 63.200 -0.026 0.000 1.063 118 S HN 0.683 nan 8.310 nan 0.000 0.476 119 M N 1.815 121.468 119.600 0.088 0.000 2.394 119 M HA -0.006 4.473 4.480 -0.000 0.000 0.264 119 M C 2.085 178.569 176.300 0.307 0.000 1.073 119 M CA 0.850 56.239 55.300 0.150 0.000 1.111 119 M CB -0.239 32.420 32.600 0.099 0.000 1.401 119 M HN 0.523 nan 8.290 nan 0.000 0.448 120 S N 0.265 116.110 115.700 0.241 0.000 2.383 120 S HA 0.032 4.502 4.470 -0.000 0.000 0.227 120 S C 1.712 176.339 174.600 0.045 0.000 1.026 120 S CA 1.001 59.244 58.200 0.073 0.000 0.981 120 S CB -0.032 63.148 63.200 -0.033 0.000 0.818 120 S HN 0.420 nan 8.310 nan 0.000 0.472 121 M N 1.076 120.710 119.600 0.057 0.000 2.561 121 M HA 0.303 4.783 4.480 -0.000 0.000 0.238 121 M C 0.600 176.935 176.300 0.059 0.000 1.131 121 M CA -0.184 55.142 55.300 0.044 0.000 1.046 121 M CB -1.277 31.340 32.600 0.028 0.000 1.532 121 M HN 0.126 nan 8.290 nan 0.000 0.497 122 A N 3.325 126.192 122.820 0.077 0.000 2.454 122 A HA 0.442 4.762 4.320 -0.000 0.000 0.260 122 A C -2.021 175.602 177.584 0.065 0.000 1.106 122 A CA -0.793 51.280 52.037 0.061 0.000 0.780 122 A CB -0.533 18.500 19.000 0.054 0.000 1.044 122 A HN 0.148 nan 8.150 nan 0.000 0.498 123 P HA 0.411 nan 4.420 nan 0.000 0.281 123 P C -0.762 176.574 177.300 0.060 0.000 1.281 123 P CA -0.412 62.748 63.100 0.101 0.000 0.811 123 P CB 0.681 32.435 31.700 0.091 0.000 1.154 124 H N -1.226 117.879 119.070 0.059 0.000 2.505 124 H HA 0.497 5.053 4.556 0.000 0.000 0.355 124 H C 0.274 175.643 175.328 0.069 0.000 1.179 124 H CA 0.278 56.364 56.048 0.063 0.000 1.343 124 H CB 0.438 30.235 29.762 0.058 0.000 1.501 124 H HN 0.651 nan 8.280 nan 0.000 0.569 125 C N 0.491 119.899 119.300 0.180 0.000 3.288 125 C HA 0.968 5.428 4.460 -0.000 0.000 0.318 125 C C -1.014 174.077 174.990 0.168 0.000 1.356 125 C CA -0.549 58.555 59.018 0.144 0.000 1.359 125 C CB 0.665 28.460 27.740 0.092 0.000 1.688 125 C HN 1.038 nan 8.230 nan 0.000 0.467 126 A N 0.552 123.470 122.820 0.162 0.000 2.594 126 A HA 0.718 5.037 4.320 -0.000 0.000 0.295 126 A C -1.279 176.372 177.584 0.111 0.000 1.071 126 A CA -0.270 51.868 52.037 0.168 0.000 0.685 126 A CB 0.901 20.070 19.000 0.282 0.000 1.285 126 A HN 1.422 nan 8.150 nan 0.000 0.405 127 H N 2.523 121.583 119.070 -0.016 0.000 2.723 127 H HA 0.524 5.080 4.556 0.000 0.000 0.294 127 H C -0.745 174.510 175.328 -0.123 0.000 1.079 127 H CA -0.080 55.938 56.048 -0.051 0.000 1.411 127 H CB 0.605 30.344 29.762 -0.039 0.000 1.439 127 H HN 0.514 nan 8.280 nan 0.000 0.474 128 L N 4.873 125.846 121.223 -0.417 0.000 3.135 128 L HA 0.225 4.565 4.340 -0.000 0.000 0.279 128 L C 2.271 178.911 176.870 -0.383 0.000 1.200 128 L CA -0.130 54.457 54.840 -0.423 0.000 1.016 128 L CB 0.259 42.167 42.059 -0.251 0.000 1.391 128 L HN 0.559 nan 8.230 nan 0.000 0.588 129 R N 0.617 120.838 120.500 -0.466 0.000 2.115 129 R HA -0.052 4.288 4.340 -0.000 0.000 0.230 129 R C 2.081 178.266 176.300 -0.191 0.000 1.111 129 R CA 1.485 57.457 56.100 -0.213 0.000 0.976 129 R CB -0.138 30.148 30.300 -0.023 0.000 0.870 129 R HN 0.381 nan 8.270 nan 0.000 0.445 130 G N -0.423 108.209 108.800 -0.280 0.000 2.777 130 G HA2 0.268 4.227 3.960 -0.000 0.000 0.211 130 G HA3 0.268 4.227 3.960 -0.000 0.000 0.211 130 G C 0.357 175.163 174.900 -0.157 0.000 1.149 130 G CA 0.397 45.404 45.100 -0.156 0.000 0.785 130 G HN 0.568 nan 8.290 nan 0.000 0.536 131 G N -1.418 107.250 108.800 -0.221 0.000 2.730 131 G HA2 0.021 3.981 3.960 -0.000 0.000 0.686 131 G HA3 0.021 3.981 3.960 -0.000 0.000 0.686 131 G C -0.693 174.085 174.900 -0.204 0.000 1.343 131 G CA -0.442 44.543 45.100 -0.191 0.000 0.826 131 G HN 0.840 nan 8.290 nan 0.000 0.582 132 V N 2.215 122.013 119.914 -0.193 0.000 2.313 132 V HA 0.382 4.501 4.120 -0.000 0.000 0.278 132 V C 1.571 177.636 176.094 -0.049 0.000 1.017 132 V CA 0.361 62.574 62.300 -0.145 0.000 0.823 132 V CB 1.138 32.847 31.823 -0.190 0.000 1.010 132 V HN 1.060 nan 8.190 nan 0.000 0.443 133 K N 4.599 124.979 120.400 -0.033 0.000 2.097 133 K HA 0.053 4.373 4.320 -0.000 0.000 0.206 133 K C 0.560 177.166 176.600 0.010 0.000 1.049 133 K CA 1.390 57.669 56.287 -0.012 0.000 0.933 133 K CB 0.255 32.748 32.500 -0.011 0.000 0.717 133 K HN 0.622 nan 8.250 nan 0.000 0.442 134 M N -1.010 118.604 119.600 0.024 0.000 2.449 134 M HA 0.308 4.788 4.480 -0.000 0.000 0.291 134 M C -1.632 174.702 176.300 0.058 0.000 1.148 134 M CA 0.258 55.581 55.300 0.038 0.000 0.925 134 M CB 2.239 34.855 32.600 0.025 0.000 1.767 134 M HN 0.343 nan 8.290 nan 0.000 0.503 135 G N 2.574 111.415 108.800 0.068 0.000 2.663 135 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.686 135 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.686 135 G C -1.592 173.380 174.900 0.119 0.000 1.246 135 G CA -0.649 44.496 45.100 0.075 0.000 0.795 135 G HN 0.803 nan 8.290 nan 0.000 0.627 136 D N -0.132 120.317 120.400 0.082 0.000 2.400 136 D HA 0.554 5.194 4.640 -0.000 0.000 0.238 136 D C 0.736 177.133 176.300 0.162 0.000 1.157 136 D CA 1.207 55.242 54.000 0.058 0.000 0.889 136 D CB 0.476 41.272 40.800 -0.005 0.000 1.199 136 D HN 0.695 nan 8.370 nan 0.000 0.436 137 F N -2.128 117.831 119.950 0.015 0.000 2.675 137 F HA 0.604 5.131 4.527 0.001 0.000 0.324 137 F C -0.488 175.329 175.800 0.029 0.000 1.106 137 F CA -1.332 56.680 58.000 0.021 0.000 0.970 137 F CB 1.357 40.367 39.000 0.016 0.000 1.385 137 F HN -0.134 nan 8.300 nan 0.000 0.489 138 K N 1.941 122.468 120.400 0.213 0.000 2.185 138 K HA 0.449 4.769 4.320 -0.000 0.000 0.269 138 K C -0.891 175.818 176.600 0.181 0.000 0.987 138 K CA -0.894 55.448 56.287 0.092 0.000 0.865 138 K CB 1.606 34.175 32.500 0.113 0.000 1.090 138 K HN 0.523 nan 8.250 nan 0.000 0.450 139 M N 4.010 123.658 119.600 0.080 0.000 2.120 139 M HA 0.253 4.733 4.480 -0.000 0.000 0.354 139 M C -0.395 176.048 176.300 0.238 0.000 1.287 139 M CA -0.589 54.820 55.300 0.181 0.000 1.103 139 M CB 0.246 32.916 32.600 0.118 0.000 1.623 139 M HN 0.417 nan 8.290 nan 0.000 0.471 140 I N 2.845 123.533 120.570 0.196 0.000 2.331 140 I HA 0.116 4.286 4.170 -0.000 0.000 0.292 140 I C 0.517 176.610 176.117 -0.039 0.000 0.998 140 I CA -0.326 61.036 61.300 0.103 0.000 1.267 140 I CB 0.864 38.909 38.000 0.074 0.000 1.386 140 I HN 0.459 nan 8.210 nan 0.000 0.476 141 D N 4.466 124.755 120.400 -0.184 0.000 2.338 141 D HA -0.001 4.639 4.640 -0.000 0.000 0.255 141 D C 1.387 177.568 176.300 -0.199 0.000 1.237 141 D CA 0.082 53.790 54.000 -0.487 0.000 0.883 141 D CB 1.077 41.657 40.800 -0.367 0.000 1.087 141 D HN 0.736 nan 8.370 nan 0.000 0.485 142 T N 1.517 115.975 114.554 -0.160 0.000 2.833 142 T HA -0.242 4.108 4.350 -0.000 0.000 0.269 142 T C 2.010 176.679 174.700 -0.051 0.000 1.054 142 T CA 0.930 62.990 62.100 -0.067 0.000 1.135 142 T CB -0.234 68.615 68.868 -0.032 0.000 0.869 142 T HN 0.512 nan 8.240 nan 0.000 0.466 143 M N 0.612 120.181 119.600 -0.052 0.000 2.080 143 M HA -0.024 4.456 4.480 -0.000 0.000 0.260 143 M C 2.094 178.376 176.300 -0.031 0.000 1.068 143 M CA 1.847 57.132 55.300 -0.026 0.000 1.109 143 M CB -0.292 32.309 32.600 0.003 0.000 1.342 143 M HN 0.302 nan 8.290 nan 0.000 0.405 144 I N -0.194 120.361 120.570 -0.026 0.000 2.233 144 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 144 I C 2.442 178.548 176.117 -0.018 0.000 1.093 144 I CA 0.993 62.295 61.300 0.004 0.000 1.380 144 I CB -0.477 37.555 38.000 0.052 0.000 1.067 144 I HN 0.244 nan 8.210 nan 0.000 0.413 145 K N 1.363 121.749 120.400 -0.024 0.000 1.985 145 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 145 K C 1.495 178.065 176.600 -0.051 0.000 1.047 145 K CA 1.921 58.190 56.287 -0.031 0.000 0.932 145 K CB -0.237 32.249 32.500 -0.024 0.000 0.716 145 K HN 0.197 nan 8.250 nan 0.000 0.439 146 D N -1.533 118.839 120.400 -0.046 0.000 2.348 146 D HA 0.073 4.713 4.640 -0.000 0.000 0.211 146 D C 1.486 177.758 176.300 -0.047 0.000 0.998 146 D CA 1.010 54.981 54.000 -0.048 0.000 0.873 146 D CB 0.437 41.216 40.800 -0.035 0.000 0.925 146 D HN 0.454 nan 8.370 nan 0.000 0.524 147 G N -0.103 108.669 108.800 -0.047 0.000 2.641 147 G HA2 0.126 4.086 3.960 -0.000 0.000 0.207 147 G HA3 0.126 4.086 3.960 -0.000 0.000 0.207 147 G C 1.234 176.098 174.900 -0.060 0.000 1.137 147 G CA -0.077 44.996 45.100 -0.044 0.000 0.824 147 G HN 0.203 nan 8.290 nan 0.000 0.547 148 L N 0.931 122.093 121.223 -0.101 0.000 3.135 148 L HA 0.311 4.651 4.340 -0.000 0.000 0.279 148 L C -0.241 176.449 176.870 -0.299 0.000 1.200 148 L CA 0.029 54.735 54.840 -0.224 0.000 1.016 148 L CB 1.336 43.217 42.059 -0.297 0.000 1.391 148 L HN -0.072 nan 8.230 nan 0.000 0.588 149 T N -0.336 114.132 114.554 -0.144 0.000 2.779 149 T HA 0.189 4.539 4.350 -0.000 0.000 0.280 149 T C -0.600 174.043 174.700 -0.096 0.000 0.987 149 T CA -0.397 61.650 62.100 -0.088 0.000 0.966 149 T CB 2.137 70.984 68.868 -0.035 0.000 0.933 149 T HN -0.027 nan 8.240 nan 0.000 0.442 150 D N 2.153 122.511 120.400 -0.070 0.000 2.417 150 D HA 0.321 4.961 4.640 -0.000 0.000 0.250 150 D C 1.070 177.226 176.300 -0.239 0.000 1.166 150 D CA -0.257 53.684 54.000 -0.098 0.000 0.881 150 D CB 0.693 41.495 40.800 0.004 0.000 1.164 150 D HN 0.561 nan 8.370 nan 0.000 0.467 151 A N 3.350 125.888 122.820 -0.471 0.000 2.206 151 A HA 0.008 4.328 4.320 -0.000 0.000 0.211 151 A C 1.081 178.252 177.584 -0.689 0.000 1.158 151 A CA 0.551 52.216 52.037 -0.621 0.000 0.761 151 A CB -0.440 18.108 19.000 -0.754 0.000 0.801 151 A HN 0.630 nan 8.150 nan 0.000 0.473 152 F N -3.416 116.426 119.950 -0.180 0.000 2.559 152 F HA 0.218 4.745 4.527 0.000 0.000 0.286 152 F C 1.606 177.058 175.800 -0.581 0.000 1.108 152 F CA 0.444 58.237 58.000 -0.344 0.000 1.436 152 F CB -0.147 38.648 39.000 -0.342 0.000 1.130 152 F HN 0.219 nan 8.300 nan 0.000 0.584 153 Y N -0.593 119.588 120.300 -0.198 0.000 2.444 153 Y HA 0.421 4.970 4.550 -0.000 0.000 0.252 153 Y C 1.867 177.452 175.900 -0.525 0.000 1.091 153 Y CA 0.206 58.040 58.100 -0.443 0.000 1.276 153 Y CB 0.549 38.518 38.460 -0.819 0.000 1.170 153 Y HN 0.069 nan 8.280 nan 0.000 0.517 154 G N 0.203 108.813 108.800 -0.316 0.000 2.136 154 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.242 154 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.242 154 G C -0.353 174.532 174.900 -0.025 0.000 0.989 154 G CA 0.351 45.364 45.100 -0.144 0.000 0.682 154 G HN 0.400 nan 8.290 nan 0.000 0.522 155 Y N -1.466 118.902 120.300 0.114 0.000 2.630 155 Y HA 0.827 5.376 4.550 -0.000 0.000 0.337 155 Y C 0.374 176.340 175.900 0.110 0.000 1.051 155 Y CA -2.900 55.272 58.100 0.120 0.000 1.121 155 Y CB 0.476 39.002 38.460 0.110 0.000 1.299 155 Y HN 0.239 nan 8.280 nan 0.000 0.498 156 H N 2.345 121.605 119.070 0.317 0.000 2.690 156 H HA 0.118 4.674 4.556 -0.000 0.000 0.365 156 H C 1.063 176.414 175.328 0.039 0.000 1.142 156 H CA 0.075 56.237 56.048 0.190 0.000 1.417 156 H CB 1.177 31.124 29.762 0.308 0.000 1.446 156 H HN 0.825 nan 8.280 nan 0.000 0.599 157 M N 3.337 122.861 119.600 -0.126 0.000 2.419 157 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 157 M C 2.169 178.231 176.300 -0.397 0.000 1.073 157 M CA 1.277 56.526 55.300 -0.084 0.000 1.056 157 M CB -1.440 31.195 32.600 0.060 0.000 1.394 157 M HN 0.771 nan 8.290 nan 0.000 0.444 158 G N -0.433 108.158 108.800 -0.349 0.000 2.408 158 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 158 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 158 G C 1.542 175.840 174.900 -1.002 0.000 1.150 158 G CA 1.284 45.494 45.100 -1.484 0.000 0.776 158 G HN 0.414 nan 8.290 nan 0.000 0.542 159 T N 1.003 115.211 114.554 -0.577 0.000 2.821 159 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 159 T C 2.804 177.223 174.700 -0.469 0.000 1.046 159 T CA 1.963 63.777 62.100 -0.477 0.000 1.139 159 T CB -0.483 68.012 68.868 -0.622 0.000 0.871 159 T HN 0.574 nan 8.240 nan 0.000 0.454 160 T N 0.703 115.046 114.554 -0.352 0.000 2.867 160 T HA 0.087 4.436 4.350 -0.000 0.000 0.268 160 T C 2.195 176.689 174.700 -0.343 0.000 1.057 160 T CA 1.031 62.985 62.100 -0.243 0.000 1.136 160 T CB -0.407 68.396 68.868 -0.108 0.000 0.874 160 T HN 0.311 nan 8.240 nan 0.000 0.466 161 A N 1.654 124.118 122.820 -0.594 0.000 1.897 161 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 161 A C 2.455 179.839 177.584 -0.334 0.000 1.181 161 A CA 1.092 52.783 52.037 -0.577 0.000 0.620 161 A CB -0.495 17.845 19.000 -1.101 0.000 0.821 161 A HN 0.452 nan 8.150 nan 0.000 0.443 162 E N 0.640 120.641 120.200 -0.332 0.000 2.097 162 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 162 E C 1.737 178.243 176.600 -0.157 0.000 1.000 162 E CA 1.431 57.713 56.400 -0.196 0.000 0.804 162 E CB -0.440 29.147 29.700 -0.189 0.000 0.740 162 E HN 0.550 nan 8.360 nan 0.000 0.454 163 N N 0.356 118.937 118.700 -0.198 0.000 2.094 163 N HA -0.141 4.599 4.740 -0.000 0.000 0.191 163 N C 1.934 177.411 175.510 -0.055 0.000 1.023 163 N CA 0.988 53.954 53.050 -0.140 0.000 0.857 163 N CB -0.447 37.942 38.487 -0.162 0.000 1.013 163 N HN 0.005 nan 8.380 nan 0.000 0.426 164 V N 0.787 120.672 119.914 -0.049 0.000 2.548 164 V HA -0.078 4.042 4.120 -0.000 0.000 0.249 164 V C 2.242 178.408 176.094 0.120 0.000 1.055 164 V CA 1.453 63.797 62.300 0.073 0.000 1.065 164 V CB -0.880 30.922 31.823 -0.034 0.000 0.681 164 V HN 0.300 nan 8.190 nan 0.000 0.462 165 A N 0.136 122.961 122.820 0.008 0.000 1.902 165 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 165 A C 2.271 179.886 177.584 0.052 0.000 1.181 165 A CA 1.832 53.883 52.037 0.023 0.000 0.623 165 A CB -0.335 18.653 19.000 -0.020 0.000 0.818 165 A HN 0.547 nan 8.150 nan 0.000 0.443 166 K N -1.047 119.364 120.400 0.019 0.000 2.305 166 K HA -0.029 4.291 4.320 -0.000 0.000 0.199 166 K C 2.154 178.754 176.600 -0.000 0.000 1.047 166 K CA 1.030 57.318 56.287 0.002 0.000 0.976 166 K CB 0.018 32.501 32.500 -0.028 0.000 0.765 166 K HN 0.631 nan 8.250 nan 0.000 0.474 167 Q N -0.617 119.197 119.800 0.023 0.000 2.212 167 Q HA -0.074 4.266 4.340 -0.000 0.000 0.199 167 Q C 0.682 176.587 176.000 -0.158 0.000 0.950 167 Q CA 0.913 56.677 55.803 -0.065 0.000 0.863 167 Q CB 0.261 28.968 28.738 -0.051 0.000 0.944 167 Q HN 0.329 nan 8.270 nan 0.000 0.465 168 W N 1.293 122.560 121.300 -0.054 0.000 3.316 168 W HA 0.224 4.884 4.660 -0.000 0.000 0.327 168 W C -0.389 176.108 176.519 -0.038 0.000 1.232 168 W CA -0.148 57.169 57.345 -0.047 0.000 1.805 168 W CB 0.384 29.812 29.460 -0.053 0.000 1.090 168 W HN 0.121 nan 8.180 nan 0.000 0.654 169 Q N 0.567 120.435 119.800 0.114 0.000 2.443 169 Q HA -0.216 4.124 4.340 -0.000 0.000 0.337 169 Q C -0.594 175.456 176.000 0.082 0.000 1.401 169 Q CA 0.390 56.232 55.803 0.065 0.000 0.943 169 Q CB -2.300 26.455 28.738 0.029 0.000 1.177 169 Q HN 0.345 nan 8.270 nan 0.000 0.394 170 L N 0.984 122.259 121.223 0.086 0.000 2.264 170 L HA 0.399 4.738 4.340 -0.000 0.000 0.289 170 L C 0.888 177.783 176.870 0.041 0.000 1.044 170 L CA -0.606 54.271 54.840 0.062 0.000 0.807 170 L CB 1.276 43.360 42.059 0.042 0.000 1.192 170 L HN 0.271 nan 8.230 nan 0.000 0.425 171 S N 1.619 117.343 115.700 0.040 0.000 2.617 171 S HA 0.233 4.703 4.470 -0.000 0.000 0.269 171 S C 0.931 175.554 174.600 0.038 0.000 1.292 171 S CA -0.782 57.440 58.200 0.035 0.000 1.010 171 S CB 1.782 65.003 63.200 0.035 0.000 0.944 171 S HN 0.708 nan 8.310 nan 0.000 0.536 172 R N 1.358 121.880 120.500 0.037 0.000 2.113 172 R HA -0.189 4.151 4.340 -0.000 0.000 0.244 172 R C 1.227 177.557 176.300 0.049 0.000 1.142 172 R CA 2.513 58.639 56.100 0.043 0.000 0.953 172 R CB -1.235 29.088 30.300 0.037 0.000 0.860 172 R HN 0.836 nan 8.270 nan 0.000 0.438 173 D N -0.224 120.202 120.400 0.044 0.000 2.219 173 D HA -0.156 4.484 4.640 -0.000 0.000 0.205 173 D C 1.470 177.806 176.300 0.059 0.000 0.970 173 D CA 1.212 55.240 54.000 0.047 0.000 0.851 173 D CB -0.106 40.716 40.800 0.038 0.000 0.943 173 D HN 0.579 nan 8.370 nan 0.000 0.488 174 E N 0.635 120.871 120.200 0.060 0.000 2.274 174 E HA -0.133 4.216 4.350 -0.000 0.000 0.194 174 E C 1.731 178.389 176.600 0.097 0.000 0.996 174 E CA 0.560 57.003 56.400 0.073 0.000 0.840 174 E CB 0.250 29.985 29.700 0.059 0.000 0.772 174 E HN 0.261 nan 8.360 nan 0.000 0.491 175 Q N -0.313 119.539 119.800 0.086 0.000 2.297 175 Q HA -0.045 4.295 4.340 -0.000 0.000 0.203 175 Q C 1.345 177.434 176.000 0.148 0.000 0.931 175 Q CA 0.753 56.619 55.803 0.106 0.000 0.885 175 Q CB 0.406 29.183 28.738 0.066 0.000 0.991 175 Q HN 0.181 nan 8.270 nan 0.000 0.498 176 D N 1.034 121.497 120.400 0.106 0.000 2.097 176 D HA -0.133 4.506 4.640 -0.000 0.000 0.195 176 D C 1.781 178.137 176.300 0.093 0.000 0.989 176 D CA 1.374 55.427 54.000 0.089 0.000 0.827 176 D CB -0.217 40.619 40.800 0.060 0.000 0.966 176 D HN 0.243 nan 8.370 nan 0.000 0.456 177 A N 0.460 123.337 122.820 0.096 0.000 1.892 177 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 177 A C 2.184 179.828 177.584 0.100 0.000 1.188 177 A CA 1.428 53.514 52.037 0.083 0.000 0.631 177 A CB -1.191 17.860 19.000 0.085 0.000 0.822 177 A HN 0.289 nan 8.150 nan 0.000 0.447 178 F N 0.808 120.769 119.950 0.018 0.000 2.134 178 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 178 F C 2.535 178.342 175.800 0.012 0.000 1.097 178 F CA 1.300 59.311 58.000 0.017 0.000 1.264 178 F CB -0.390 38.623 39.000 0.021 0.000 1.001 178 F HN 0.259 nan 8.300 nan 0.000 0.479 179 A N -0.228 122.721 122.820 0.215 0.000 1.877 179 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 179 A C 2.311 179.883 177.584 -0.021 0.000 1.186 179 A CA 1.999 54.102 52.037 0.111 0.000 0.620 179 A CB -1.392 17.680 19.000 0.122 0.000 0.822 179 A HN 0.264 nan 8.150 nan 0.000 0.443 180 V N -0.144 119.760 119.914 -0.017 0.000 2.295 180 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 180 V C 3.047 179.090 176.094 -0.085 0.000 1.049 180 V CA 2.008 64.283 62.300 -0.042 0.000 1.024 180 V CB -1.175 30.636 31.823 -0.020 0.000 0.648 180 V HN 0.621 nan 8.190 nan 0.000 0.447 181 A N -1.001 121.744 122.820 -0.125 0.000 1.972 181 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 181 A C 2.532 179.992 177.584 -0.208 0.000 1.169 181 A CA 2.085 54.024 52.037 -0.162 0.000 0.635 181 A CB -0.613 18.272 19.000 -0.192 0.000 0.810 181 A HN 0.487 nan 8.150 nan 0.000 0.446 182 S N -1.028 114.504 115.700 -0.280 0.000 2.345 182 S HA -0.176 4.294 4.470 -0.000 0.000 0.220 182 S C 2.203 176.730 174.600 -0.122 0.000 1.031 182 S CA 1.408 59.468 58.200 -0.232 0.000 0.996 182 S CB -0.366 62.690 63.200 -0.241 0.000 0.882 182 S HN 0.589 nan 8.310 nan 0.000 0.445 183 Q N 1.214 120.948 119.800 -0.110 0.000 2.077 183 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 183 Q C 1.979 177.926 176.000 -0.089 0.000 0.989 183 Q CA 1.801 57.542 55.803 -0.104 0.000 0.853 183 Q CB -0.928 27.748 28.738 -0.104 0.000 0.907 183 Q HN 0.699 nan 8.270 nan 0.000 0.418 184 N N 0.405 119.059 118.700 -0.077 0.000 2.084 184 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 184 N C 1.821 177.306 175.510 -0.041 0.000 1.030 184 N CA 0.930 53.948 53.050 -0.054 0.000 0.849 184 N CB -0.020 38.436 38.487 -0.051 0.000 1.012 184 N HN 0.171 nan 8.380 nan 0.000 0.423 185 K N 0.741 121.110 120.400 -0.051 0.000 2.032 185 K HA -0.104 4.216 4.320 -0.000 0.000 0.209 185 K C 2.202 178.815 176.600 0.021 0.000 1.048 185 K CA 1.221 57.489 56.287 -0.031 0.000 0.927 185 K CB -0.163 32.306 32.500 -0.051 0.000 0.712 185 K HN 0.167 nan 8.250 nan 0.000 0.441 186 A N 1.508 124.346 122.820 0.031 0.000 1.877 186 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 186 A C 2.071 179.721 177.584 0.110 0.000 1.186 186 A CA 1.856 53.961 52.037 0.113 0.000 0.620 186 A CB -0.537 18.466 19.000 0.005 0.000 0.822 186 A HN 0.456 nan 8.150 nan 0.000 0.443 187 E N -0.143 120.049 120.200 -0.013 0.000 2.110 187 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 187 E C 2.080 178.716 176.600 0.059 0.000 0.988 187 E CA 1.083 57.468 56.400 -0.024 0.000 0.804 187 E CB -0.270 29.394 29.700 -0.060 0.000 0.745 187 E HN 0.532 nan 8.360 nan 0.000 0.458 188 A N 1.288 124.129 122.820 0.034 0.000 1.877 188 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 188 A C 2.442 180.027 177.584 0.002 0.000 1.186 188 A CA 1.852 53.898 52.037 0.015 0.000 0.620 188 A CB -0.899 18.095 19.000 -0.011 0.000 0.822 188 A HN 0.424 nan 8.150 nan 0.000 0.443 189 A N -0.990 121.821 122.820 -0.015 0.000 1.902 189 A HA -0.210 4.109 4.320 -0.000 0.000 0.217 189 A C 2.208 179.741 177.584 -0.085 0.000 1.181 189 A CA 1.826 53.754 52.037 -0.182 0.000 0.623 189 A CB -0.601 18.102 19.000 -0.495 0.000 0.818 189 A HN 0.670 nan 8.150 nan 0.000 0.443 190 Q N -0.076 119.854 119.800 0.216 0.000 2.002 190 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 190 Q C 1.954 178.047 176.000 0.156 0.000 0.988 190 Q CA 1.985 57.984 55.803 0.326 0.000 0.843 190 Q CB -0.159 28.759 28.738 0.299 0.000 0.908 190 Q HN 0.673 nan 8.270 nan 0.000 0.420 191 K N 0.217 120.689 120.400 0.121 0.000 2.147 191 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 191 K C 1.374 177.995 176.600 0.034 0.000 1.049 191 K CA 1.137 57.471 56.287 0.078 0.000 0.936 191 K CB 0.007 32.553 32.500 0.077 0.000 0.722 191 K HN 0.300 nan 8.250 nan 0.000 0.446 192 D N 0.120 120.524 120.400 0.007 0.000 2.363 192 D HA -0.017 4.623 4.640 -0.000 0.000 0.226 192 D C 0.971 177.249 176.300 -0.035 0.000 1.020 192 D CA 0.805 54.791 54.000 -0.024 0.000 0.892 192 D CB 0.301 41.069 40.800 -0.052 0.000 0.900 192 D HN 0.427 nan 8.370 nan 0.000 0.531 193 G N 1.639 110.428 108.800 -0.017 0.000 2.176 193 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.252 193 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.252 193 G C 1.038 175.897 174.900 -0.069 0.000 1.024 193 G CA 0.009 45.102 45.100 -0.012 0.000 0.755 193 G HN 0.321 nan 8.290 nan 0.000 0.507 194 R N -1.184 119.203 120.500 -0.188 0.000 2.299 194 R HA 0.202 4.542 4.340 -0.000 0.000 0.197 194 R C 1.245 177.315 176.300 -0.383 0.000 0.971 194 R CA 0.658 56.572 56.100 -0.311 0.000 1.030 194 R CB -0.090 29.951 30.300 -0.432 0.000 0.932 194 R HN 0.451 nan 8.270 nan 0.000 0.477 195 F N 0.477 120.409 119.950 -0.029 0.000 2.727 195 F HA 0.127 4.654 4.527 0.000 0.000 0.302 195 F C 2.139 177.881 175.800 -0.098 0.000 1.097 195 F CA -0.004 57.963 58.000 -0.055 0.000 1.330 195 F CB 0.071 39.053 39.000 -0.030 0.000 1.084 195 F HN -0.206 nan 8.300 nan 0.000 0.578 196 K N 1.072 121.494 120.400 0.036 0.000 2.026 196 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 196 K C 1.139 177.680 176.600 -0.100 0.000 1.048 196 K CA 1.889 58.171 56.287 -0.009 0.000 0.929 196 K CB -0.328 32.168 32.500 -0.006 0.000 0.713 196 K HN 0.136 nan 8.250 nan 0.000 0.439 197 D N 1.001 121.294 120.400 -0.177 0.000 2.084 197 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 197 D C 1.990 177.838 176.300 -0.753 0.000 0.990 197 D CA 1.849 55.641 54.000 -0.347 0.000 0.826 197 D CB -0.115 40.536 40.800 -0.247 0.000 0.971 197 D HN 0.560 nan 8.370 nan 0.000 0.453 198 E N 0.477 120.086 120.200 -0.986 0.000 2.106 198 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 198 E C 0.801 177.197 176.600 -0.340 0.000 0.984 198 E CA 0.394 56.205 56.400 -0.983 0.000 0.806 198 E CB -0.210 29.191 29.700 -0.498 0.000 0.750 198 E HN 0.259 nan 8.360 nan 0.000 0.458 199 I N 2.264 122.728 120.570 -0.177 0.000 2.648 199 I HA -0.005 4.165 4.170 -0.000 0.000 0.284 199 I C -0.133 175.958 176.117 -0.043 0.000 1.153 199 I CA -0.150 61.115 61.300 -0.057 0.000 1.426 199 I CB 1.317 39.317 38.000 0.000 0.000 1.381 199 I HN -0.000 nan 8.210 nan 0.000 0.571 200 V N 8.854 128.771 119.914 0.005 0.000 2.487 200 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 200 V C -2.286 173.856 176.094 0.079 0.000 1.028 200 V CA -2.072 60.246 62.300 0.030 0.000 0.860 200 V CB 2.013 33.856 31.823 0.034 0.000 0.991 200 V HN 0.519 nan 8.190 nan 0.000 0.427 201 P HA 0.198 nan 4.420 nan 0.000 0.269 201 P C -1.396 176.006 177.300 0.169 0.000 1.209 201 P CA 0.241 63.407 63.100 0.111 0.000 0.776 201 P CB 0.212 31.946 31.700 0.057 0.000 0.876 202 F N 3.364 123.363 119.950 0.082 0.000 2.482 202 F HA 0.438 4.965 4.527 -0.000 0.000 0.331 202 F C -0.643 175.209 175.800 0.087 0.000 1.115 202 F CA -1.038 56.997 58.000 0.058 0.000 0.955 202 F CB 0.911 39.925 39.000 0.024 0.000 1.136 202 F HN 0.072 nan 8.300 nan 0.000 0.452 203 I N 7.548 127.682 120.570 -0.726 0.000 2.291 203 I HA 0.166 4.336 4.170 -0.000 0.000 0.290 203 I C -0.331 175.487 176.117 -0.499 0.000 1.050 203 I CA -0.600 60.433 61.300 -0.445 0.000 1.245 203 I CB 0.781 38.577 38.000 -0.340 0.000 1.405 203 I HN 0.250 nan 8.210 nan 0.000 0.478 204 V N 7.794 127.680 119.914 -0.046 0.000 2.326 204 V HA 0.088 4.208 4.120 -0.000 0.000 0.249 204 V C 1.015 177.123 176.094 0.023 0.000 1.114 204 V CA -0.693 61.680 62.300 0.121 0.000 1.028 204 V CB -0.487 31.502 31.823 0.276 0.000 1.170 204 V HN 0.576 nan 8.190 nan 0.000 0.494 205 K N 2.934 123.316 120.400 -0.029 0.000 2.285 205 K HA 0.464 4.784 4.320 -0.000 0.000 0.255 205 K C 0.549 177.155 176.600 0.010 0.000 1.000 205 K CA 0.391 56.663 56.287 -0.026 0.000 0.887 205 K CB 0.721 33.198 32.500 -0.037 0.000 0.997 205 K HN 0.862 nan 8.250 nan 0.000 0.510 206 G N -0.025 108.777 108.800 0.003 0.000 2.556 206 G HA2 0.146 4.106 3.960 -0.000 0.000 0.294 206 G HA3 0.146 4.106 3.960 -0.000 0.000 0.294 206 G C 0.447 175.350 174.900 0.004 0.000 1.516 206 G CA -0.765 44.341 45.100 0.010 0.000 0.824 206 G HN 0.370 nan 8.290 nan 0.000 0.535 207 R N 0.837 121.341 120.500 0.006 0.000 2.073 207 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 207 R C 0.935 177.236 176.300 0.002 0.000 1.134 207 R CA 1.073 57.175 56.100 0.003 0.000 0.952 207 R CB -0.385 29.918 30.300 0.005 0.000 0.850 207 R HN 0.464 nan 8.270 nan 0.000 0.433 208 K N 1.041 121.443 120.400 0.003 0.000 2.577 208 K HA 0.291 4.611 4.320 -0.000 0.000 0.210 208 K C -0.102 176.499 176.600 0.001 0.000 1.048 208 K CA 0.350 56.638 56.287 0.002 0.000 1.188 208 K CB 0.873 33.374 32.500 0.002 0.000 0.910 208 K HN 0.474 nan 8.250 nan 0.000 0.483 209 G N 0.993 109.794 108.800 0.001 0.000 2.312 209 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.347 209 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.347 209 G C -2.097 172.802 174.900 -0.001 0.000 1.564 209 G CA -1.015 44.084 45.100 -0.001 0.000 0.981 209 G HN 0.004 nan 8.290 nan 0.000 0.678 210 D N -0.072 120.324 120.400 -0.007 0.000 2.185 210 D HA 0.721 5.361 4.640 -0.000 0.000 0.247 210 D C 0.152 176.449 176.300 -0.005 0.000 1.027 210 D CA -0.021 53.971 54.000 -0.013 0.000 0.861 210 D CB 1.769 42.552 40.800 -0.028 0.000 1.202 210 D HN 0.440 nan 8.370 nan 0.000 0.453 211 I N 1.298 121.870 120.570 0.004 0.000 2.466 211 I HA 0.178 4.348 4.170 -0.000 0.000 0.289 211 I C -0.148 175.987 176.117 0.030 0.000 1.026 211 I CA -0.597 60.715 61.300 0.021 0.000 1.078 211 I CB 2.152 40.176 38.000 0.041 0.000 1.249 211 I HN 0.046 nan 8.210 nan 0.000 0.429 212 T N 5.791 120.359 114.554 0.023 0.000 2.729 212 T HA 0.303 4.653 4.350 -0.000 0.000 0.296 212 T C -0.033 174.710 174.700 0.073 0.000 0.928 212 T CA -0.299 61.823 62.100 0.036 0.000 1.045 212 T CB 0.711 69.588 68.868 0.015 0.000 0.902 212 T HN 0.186 nan 8.240 nan 0.000 0.500 213 V N 4.971 124.975 119.914 0.150 0.000 2.350 213 V HA 0.362 4.482 4.120 -0.000 0.000 0.276 213 V C 0.266 176.458 176.094 0.163 0.000 1.028 213 V CA -0.697 61.694 62.300 0.151 0.000 0.860 213 V CB 1.104 33.057 31.823 0.218 0.000 0.990 213 V HN 1.001 nan 8.190 nan 0.000 0.453 214 D N 2.586 123.037 120.400 0.086 0.000 2.602 214 D HA 0.427 5.067 4.640 -0.000 0.000 0.265 214 D C -0.084 176.245 176.300 0.048 0.000 1.454 214 D CA 0.133 54.179 54.000 0.078 0.000 0.795 214 D CB 0.767 41.602 40.800 0.059 0.000 1.140 214 D HN 0.590 nan 8.370 nan 0.000 0.486 215 A N 0.098 122.934 122.820 0.027 0.000 2.422 215 A HA 0.497 4.817 4.320 -0.000 0.000 0.302 215 A C -0.988 176.581 177.584 -0.026 0.000 1.041 215 A CA -0.809 51.236 52.037 0.013 0.000 0.708 215 A CB 1.249 20.265 19.000 0.027 0.000 1.257 215 A HN 0.016 nan 8.150 nan 0.000 0.414 216 D N 2.476 122.840 120.400 -0.059 0.000 2.346 216 D HA 0.051 4.691 4.640 -0.000 0.000 0.267 216 D C 1.211 177.484 176.300 -0.044 0.000 1.320 216 D CA 0.508 54.451 54.000 -0.096 0.000 0.951 216 D CB 0.867 41.529 40.800 -0.230 0.000 1.079 216 D HN 0.793 nan 8.370 nan 0.000 0.509 217 E N 1.782 121.965 120.200 -0.029 0.000 2.285 217 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 217 E C 1.428 178.062 176.600 0.056 0.000 0.997 217 E CA 0.381 56.784 56.400 0.006 0.000 0.845 217 E CB -0.177 29.498 29.700 -0.041 0.000 0.782 217 E HN 0.439 nan 8.360 nan 0.000 0.491 218 Y N 1.860 122.114 120.300 -0.077 0.000 2.509 218 Y HA 0.164 4.713 4.550 -0.000 0.000 0.293 218 Y C 0.485 176.337 175.900 -0.081 0.000 1.133 218 Y CA -0.230 57.834 58.100 -0.060 0.000 1.283 218 Y CB 0.177 38.607 38.460 -0.050 0.000 1.001 218 Y HN -0.077 nan 8.280 nan 0.000 0.555 219 I N 4.655 125.130 120.570 -0.158 0.000 2.581 219 I HA -0.007 4.163 4.170 -0.000 0.000 0.285 219 I C 0.231 176.116 176.117 -0.386 0.000 1.129 219 I CA 0.223 61.343 61.300 -0.301 0.000 1.397 219 I CB 0.141 37.954 38.000 -0.311 0.000 1.399 219 I HN 0.127 nan 8.210 nan 0.000 0.537 220 R N 5.423 125.706 120.500 -0.360 0.000 2.265 220 R HA 0.391 4.731 4.340 -0.000 0.000 0.314 220 R C -0.934 175.219 176.300 -0.246 0.000 1.053 220 R CA -0.712 55.247 56.100 -0.235 0.000 0.931 220 R CB 0.567 30.752 30.300 -0.192 0.000 1.024 220 R HN 0.483 nan 8.270 nan 0.000 0.457 221 H N 1.141 120.174 119.070 -0.060 0.000 2.511 221 H HA 0.308 4.864 4.556 -0.000 0.000 0.346 221 H C 1.020 176.327 175.328 -0.036 0.000 1.128 221 H CA 0.677 56.702 56.048 -0.039 0.000 1.342 221 H CB 1.497 31.243 29.762 -0.027 0.000 1.470 221 H HN 0.992 nan 8.280 nan 0.000 0.546 222 G N 0.950 109.796 108.800 0.076 0.000 2.246 222 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.273 222 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.273 222 G C 0.283 175.185 174.900 0.003 0.000 1.055 222 G CA -0.015 45.106 45.100 0.034 0.000 0.851 222 G HN 0.910 nan 8.290 nan 0.000 0.500 223 A N 0.490 123.298 122.820 -0.020 0.000 2.522 223 A HA 0.643 4.963 4.320 -0.000 0.000 0.256 223 A C 1.009 178.580 177.584 -0.021 0.000 1.086 223 A CA 1.219 53.237 52.037 -0.033 0.000 0.763 223 A CB 0.139 19.104 19.000 -0.058 0.000 1.024 223 A HN 1.840 nan 8.150 nan 0.000 0.502 224 T N 0.541 115.086 114.554 -0.015 0.000 2.932 224 T HA 0.501 4.851 4.350 -0.000 0.000 0.289 224 T C 0.791 175.489 174.700 -0.005 0.000 1.039 224 T CA -0.692 61.403 62.100 -0.008 0.000 1.024 224 T CB 1.128 69.994 68.868 -0.004 0.000 1.090 224 T HN 0.289 nan 8.240 nan 0.000 0.496 225 L N 0.790 122.013 121.223 -0.000 0.000 2.191 225 L HA 0.016 4.356 4.340 -0.000 0.000 0.212 225 L C 1.985 178.859 176.870 0.008 0.000 1.103 225 L CA 1.624 56.468 54.840 0.007 0.000 0.769 225 L CB -0.581 41.483 42.059 0.010 0.000 0.908 225 L HN 0.766 nan 8.230 nan 0.000 0.438 226 D N -0.914 119.489 120.400 0.005 0.000 2.108 226 D HA -0.226 4.414 4.640 -0.000 0.000 0.190 226 D C 2.387 178.691 176.300 0.005 0.000 0.995 226 D CA 1.936 55.939 54.000 0.005 0.000 0.834 226 D CB -0.264 40.538 40.800 0.003 0.000 0.967 226 D HN 0.425 nan 8.370 nan 0.000 0.446 227 S N -0.436 115.265 115.700 0.002 0.000 2.399 227 S HA -0.222 4.247 4.470 -0.000 0.000 0.231 227 S C 1.968 176.571 174.600 0.004 0.000 1.022 227 S CA 1.199 59.400 58.200 0.001 0.000 0.983 227 S CB -0.383 62.815 63.200 -0.004 0.000 0.803 227 S HN 0.158 nan 8.310 nan 0.000 0.480 228 M N 2.795 122.398 119.600 0.006 0.000 2.080 228 M HA 0.108 4.588 4.480 -0.000 0.000 0.260 228 M C 2.055 178.368 176.300 0.021 0.000 1.068 228 M CA 1.784 57.092 55.300 0.014 0.000 1.109 228 M CB -0.801 31.809 32.600 0.018 0.000 1.342 228 M HN 0.411 nan 8.290 nan 0.000 0.405 229 A N -1.224 121.607 122.820 0.019 0.000 2.238 229 A HA 0.023 4.343 4.320 -0.000 0.000 0.208 229 A C 1.727 179.321 177.584 0.016 0.000 1.177 229 A CA 0.561 52.610 52.037 0.021 0.000 0.804 229 A CB -0.607 18.405 19.000 0.021 0.000 0.823 229 A HN 0.567 nan 8.150 nan 0.000 0.482 230 K N -0.418 119.990 120.400 0.013 0.000 2.374 230 K HA 0.294 4.614 4.320 -0.000 0.000 0.196 230 K C -0.252 176.353 176.600 0.008 0.000 1.023 230 K CA -0.115 56.178 56.287 0.009 0.000 1.103 230 K CB 0.190 32.694 32.500 0.006 0.000 0.848 230 K HN 0.400 nan 8.250 nan 0.000 0.528 231 L N 1.800 123.030 121.223 0.012 0.000 2.371 231 L HA 0.204 4.544 4.340 -0.000 0.000 0.272 231 L C 0.425 177.301 176.870 0.010 0.000 1.124 231 L CA -0.357 54.489 54.840 0.010 0.000 0.816 231 L CB 0.698 42.767 42.059 0.016 0.000 1.129 231 L HN 0.015 nan 8.230 nan 0.000 0.448 232 R N 2.450 122.951 120.500 0.001 0.000 2.500 232 R HA 0.355 4.695 4.340 -0.000 0.000 0.277 232 R C -2.258 174.040 176.300 -0.004 0.000 1.026 232 R CA -1.684 54.415 56.100 -0.002 0.000 1.058 232 R CB 0.470 30.764 30.300 -0.010 0.000 1.078 232 R HN 0.346 nan 8.270 nan 0.000 0.509 233 P HA -0.046 nan 4.420 nan 0.000 0.267 233 P C -0.517 176.758 177.300 -0.041 0.000 1.200 233 P CA 0.335 63.447 63.100 0.019 0.000 0.772 233 P CB 0.802 32.522 31.700 0.032 0.000 0.855 234 A N 1.199 123.978 122.820 -0.069 0.000 2.169 234 A HA 0.191 4.511 4.320 -0.000 0.000 0.210 234 A C 0.888 178.047 177.584 -0.707 0.000 1.168 234 A CA 0.640 52.431 52.037 -0.410 0.000 0.813 234 A CB -0.547 18.111 19.000 -0.570 0.000 0.861 234 A HN 0.533 nan 8.150 nan 0.000 0.481 235 F N -1.190 118.739 119.950 -0.035 0.000 2.880 235 F HA 0.299 4.826 4.527 0.000 0.000 0.346 235 F C -0.025 175.751 175.800 -0.039 0.000 1.054 235 F CA -0.488 57.484 58.000 -0.047 0.000 1.151 235 F CB 0.966 39.931 39.000 -0.059 0.000 1.066 235 F HN 0.060 nan 8.300 nan 0.000 0.566 236 D N -0.055 120.413 120.400 0.113 0.000 2.936 236 D HA 0.234 4.874 4.640 -0.000 0.000 0.238 236 D C 0.597 176.913 176.300 0.027 0.000 1.248 236 D CA -0.316 53.717 54.000 0.055 0.000 0.903 236 D CB 2.028 42.852 40.800 0.040 0.000 1.544 236 D HN -0.262 nan 8.370 nan 0.000 0.543 237 K N 1.163 121.572 120.400 0.015 0.000 2.173 237 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 237 K C 0.700 177.306 176.600 0.009 0.000 1.046 237 K CA 1.545 57.837 56.287 0.007 0.000 0.929 237 K CB 0.112 32.617 32.500 0.007 0.000 0.720 237 K HN 0.564 nan 8.250 nan 0.000 0.453 238 E N -1.522 118.685 120.200 0.011 0.000 4.017 238 E HA 0.234 4.584 4.350 -0.000 0.000 0.205 238 E C 0.342 176.950 176.600 0.014 0.000 1.054 238 E CA -0.282 56.125 56.400 0.011 0.000 1.398 238 E CB 0.601 30.305 29.700 0.007 0.000 1.164 238 E HN 0.145 nan 8.360 nan 0.000 0.445 239 G N 0.406 109.220 108.800 0.023 0.000 2.829 239 G HA2 0.296 4.256 3.960 -0.000 0.000 0.173 239 G HA3 0.296 4.256 3.960 -0.000 0.000 0.173 239 G C 0.474 175.395 174.900 0.035 0.000 1.476 239 G CA 0.351 45.468 45.100 0.028 0.000 1.072 239 G HN 0.106 nan 8.290 nan 0.000 0.577 240 T N -1.383 113.201 114.554 0.050 0.000 3.154 240 T HA 0.158 4.508 4.350 -0.000 0.000 0.258 240 T C 0.440 175.191 174.700 0.086 0.000 0.899 240 T CA -0.174 61.959 62.100 0.054 0.000 0.908 240 T CB 0.323 69.213 68.868 0.036 0.000 1.260 240 T HN 0.183 nan 8.240 nan 0.000 0.521 241 V N 4.251 124.238 119.914 0.121 0.000 2.572 241 V HA 0.499 4.619 4.120 -0.000 0.000 0.291 241 V C 0.743 176.985 176.094 0.247 0.000 1.039 241 V CA 0.084 62.508 62.300 0.206 0.000 1.055 241 V CB 0.783 32.751 31.823 0.242 0.000 0.969 241 V HN 0.641 nan 8.190 nan 0.000 0.482 242 T N 1.533 116.213 114.554 0.210 0.000 2.831 242 T HA 0.680 5.030 4.350 -0.000 0.000 0.287 242 T C 1.072 175.855 174.700 0.138 0.000 1.070 242 T CA -0.067 62.114 62.100 0.135 0.000 1.010 242 T CB 1.865 70.777 68.868 0.075 0.000 1.264 242 T HN 0.653 nan 8.240 nan 0.000 0.532 243 A N 0.384 123.241 122.820 0.061 0.000 1.948 243 A HA 0.134 4.454 4.320 -0.000 0.000 0.220 243 A C 2.330 179.956 177.584 0.071 0.000 1.177 243 A CA 2.273 54.346 52.037 0.059 0.000 0.636 243 A CB -1.710 17.307 19.000 0.027 0.000 0.815 243 A HN 1.227 nan 8.150 nan 0.000 0.449 244 G N 0.162 108.996 108.800 0.057 0.000 2.448 244 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 244 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 244 G C 0.940 175.879 174.900 0.066 0.000 1.135 244 G CA 1.149 46.275 45.100 0.044 0.000 0.784 244 G HN 0.819 nan 8.290 nan 0.000 0.543 245 N N -0.572 118.185 118.700 0.096 0.000 2.200 245 N HA 0.519 5.259 4.740 -0.000 0.000 0.224 245 N C 0.176 175.757 175.510 0.118 0.000 1.179 245 N CA 0.236 53.359 53.050 0.121 0.000 0.877 245 N CB 0.769 39.334 38.487 0.129 0.000 1.072 245 N HN 0.274 nan 8.380 nan 0.000 0.519 246 A N -0.005 122.858 122.820 0.070 0.000 2.386 246 A HA 0.772 5.092 4.320 -0.000 0.000 0.308 246 A C 0.175 177.653 177.584 -0.177 0.000 1.128 246 A CA -0.580 51.382 52.037 -0.125 0.000 0.789 246 A CB 0.766 19.724 19.000 -0.069 0.000 1.325 246 A HN 0.337 nan 8.150 nan 0.000 0.437 247 S N -0.159 115.293 115.700 -0.413 0.000 2.596 247 S HA 0.549 5.019 4.470 -0.000 0.000 0.260 247 S C 0.627 175.166 174.600 -0.102 0.000 1.336 247 S CA 0.041 58.107 58.200 -0.222 0.000 0.993 247 S CB 0.578 63.550 63.200 -0.381 0.000 0.923 247 S HN 1.536 nan 8.310 nan 0.000 0.567 248 G N -0.641 108.126 108.800 -0.056 0.000 2.613 248 G HA2 0.594 4.554 3.960 -0.000 0.000 0.303 248 G HA3 0.594 4.554 3.960 -0.000 0.000 0.303 248 G C -0.933 173.813 174.900 -0.257 0.000 1.312 248 G CA -1.316 43.664 45.100 -0.199 0.000 1.036 248 G HN 0.723 nan 8.290 nan 0.000 0.513 249 L N 0.655 121.676 121.223 -0.337 0.000 2.282 249 L HA 0.487 4.827 4.340 -0.000 0.000 0.288 249 L C -0.513 176.215 176.870 -0.236 0.000 1.033 249 L CA -0.656 53.977 54.840 -0.344 0.000 0.807 249 L CB 1.380 42.990 42.059 -0.747 0.000 1.209 249 L HN 0.504 nan 8.230 nan 0.000 0.423 250 N N 0.917 119.539 118.700 -0.129 0.000 2.825 250 N HA 0.508 5.248 4.740 -0.000 0.000 0.253 250 N C -1.881 173.634 175.510 0.009 0.000 1.426 250 N CA -0.957 52.047 53.050 -0.076 0.000 0.851 250 N CB 1.665 40.043 38.487 -0.181 0.000 1.470 250 N HN 0.380 nan 8.380 nan 0.000 0.517 251 D N -0.588 119.846 120.400 0.057 0.000 2.342 251 D HA 0.797 5.437 4.640 -0.000 0.000 0.243 251 D C -0.121 176.241 176.300 0.103 0.000 1.019 251 D CA -0.228 53.828 54.000 0.094 0.000 0.864 251 D CB 1.885 42.812 40.800 0.210 0.000 1.315 251 D HN 0.680 nan 8.370 nan 0.000 0.468 252 G N -0.883 107.909 108.800 -0.013 0.000 2.325 252 G HA2 0.622 4.582 3.960 -0.000 0.000 0.297 252 G HA3 0.622 4.582 3.960 -0.000 0.000 0.297 252 G C -1.943 172.882 174.900 -0.126 0.000 1.448 252 G CA -0.240 44.828 45.100 -0.053 0.000 0.838 252 G HN 0.609 nan 8.290 nan 0.000 0.579 253 A N -1.068 121.673 122.820 -0.131 0.000 2.556 253 A HA 1.162 5.482 4.320 -0.000 0.000 0.294 253 A C -0.276 177.267 177.584 -0.068 0.000 1.091 253 A CA 0.149 52.117 52.037 -0.115 0.000 0.704 253 A CB 1.684 20.591 19.000 -0.154 0.000 1.300 253 A HN 2.653 nan 8.150 nan 0.000 0.406 254 A N -0.518 122.271 122.820 -0.052 0.000 2.594 254 A HA 0.981 5.301 4.320 -0.000 0.000 0.296 254 A C -0.606 176.966 177.584 -0.022 0.000 1.061 254 A CA 0.195 52.220 52.037 -0.020 0.000 0.689 254 A CB 0.875 19.872 19.000 -0.004 0.000 1.280 254 A HN 2.721 nan 8.150 nan 0.000 0.406 255 A N -0.059 122.761 122.820 0.001 0.000 2.610 255 A HA 1.047 5.367 4.320 -0.000 0.000 0.291 255 A C -0.559 177.035 177.584 0.017 0.000 1.086 255 A CA 0.021 52.053 52.037 -0.009 0.000 0.677 255 A CB 0.837 19.821 19.000 -0.027 0.000 1.278 255 A HN 2.673 nan 8.150 nan 0.000 0.414 256 A N 0.031 122.850 122.820 -0.002 0.000 2.454 256 A HA 0.792 5.112 4.320 -0.000 0.000 0.302 256 A C -1.287 176.291 177.584 -0.009 0.000 1.079 256 A CA -0.452 51.589 52.037 0.006 0.000 0.731 256 A CB 1.318 20.316 19.000 -0.003 0.000 1.299 256 A HN 1.566 nan 8.150 nan 0.000 0.413 257 L N 2.610 123.832 121.223 -0.002 0.000 2.296 257 L HA 0.540 4.880 4.340 -0.000 0.000 0.286 257 L C -1.456 175.407 176.870 -0.012 0.000 1.023 257 L CA -0.816 54.019 54.840 -0.007 0.000 0.812 257 L CB 0.882 42.944 42.059 0.004 0.000 1.223 257 L HN 0.550 nan 8.230 nan 0.000 0.421 258 L N 6.115 127.328 121.223 -0.017 0.000 2.330 258 L HA 0.702 5.042 4.340 -0.000 0.000 0.271 258 L C -0.012 176.853 176.870 -0.008 0.000 1.013 258 L CA -0.500 54.331 54.840 -0.015 0.000 0.816 258 L CB 1.565 43.609 42.059 -0.025 0.000 1.287 258 L HN 0.822 nan 8.230 nan 0.000 0.435 259 M N -0.415 119.183 119.600 -0.004 0.000 2.918 259 M HA 0.375 4.855 4.480 -0.000 0.000 0.272 259 M C -0.579 175.723 176.300 0.003 0.000 1.082 259 M CA -0.717 54.583 55.300 0.001 0.000 0.799 259 M CB 1.742 34.343 32.600 0.002 0.000 1.659 259 M HN 0.451 nan 8.290 nan 0.000 0.533 260 S N -0.305 115.399 115.700 0.006 0.000 2.596 260 S HA 0.144 4.614 4.470 -0.000 0.000 0.260 260 S C 0.637 175.242 174.600 0.008 0.000 1.336 260 S CA 0.431 58.636 58.200 0.009 0.000 0.993 260 S CB 1.086 64.293 63.200 0.010 0.000 0.923 260 S HN 0.936 nan 8.310 nan 0.000 0.567 261 E N 0.561 120.768 120.200 0.010 0.000 2.152 261 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 261 E C 2.101 178.706 176.600 0.009 0.000 0.983 261 E CA 0.886 57.292 56.400 0.010 0.000 0.818 261 E CB -0.489 29.220 29.700 0.014 0.000 0.758 261 E HN 0.793 nan 8.360 nan 0.000 0.467 262 A N 1.094 123.919 122.820 0.010 0.000 1.855 262 A HA -0.229 4.091 4.320 -0.000 0.000 0.215 262 A C 2.033 179.621 177.584 0.008 0.000 1.191 262 A CA 1.727 53.769 52.037 0.009 0.000 0.613 262 A CB -0.640 18.365 19.000 0.009 0.000 0.829 262 A HN 0.309 nan 8.150 nan 0.000 0.442 263 E N 0.312 120.517 120.200 0.008 0.000 2.049 263 E HA -0.178 4.172 4.350 -0.000 0.000 0.198 263 E C 2.034 178.638 176.600 0.006 0.000 1.007 263 E CA 2.068 58.472 56.400 0.007 0.000 0.809 263 E CB -0.530 29.174 29.700 0.007 0.000 0.749 263 E HN 0.478 nan 8.360 nan 0.000 0.450 264 A N 0.028 122.851 122.820 0.005 0.000 1.892 264 A HA -0.270 4.049 4.320 -0.000 0.000 0.218 264 A C 2.486 180.073 177.584 0.004 0.000 1.188 264 A CA 2.378 54.418 52.037 0.004 0.000 0.631 264 A CB -1.307 17.694 19.000 0.002 0.000 0.822 264 A HN 0.369 nan 8.150 nan 0.000 0.447 265 S N -0.694 115.009 115.700 0.005 0.000 2.359 265 S HA -0.216 4.254 4.470 -0.000 0.000 0.224 265 S C 2.150 176.753 174.600 0.006 0.000 1.035 265 S CA 1.587 59.790 58.200 0.006 0.000 1.018 265 S CB -0.366 62.838 63.200 0.007 0.000 0.876 265 S HN 0.624 nan 8.310 nan 0.000 0.448 266 R N 0.198 120.701 120.500 0.006 0.000 2.159 266 R HA 0.013 4.353 4.340 -0.000 0.000 0.237 266 R C 2.105 178.408 176.300 0.006 0.000 1.131 266 R CA 1.278 57.382 56.100 0.006 0.000 0.982 266 R CB -0.195 30.109 30.300 0.006 0.000 0.868 266 R HN 0.394 nan 8.270 nan 0.000 0.453 267 R N -0.477 120.026 120.500 0.006 0.000 2.334 267 R HA 0.117 4.456 4.340 -0.000 0.000 0.216 267 R C 0.643 176.947 176.300 0.006 0.000 0.905 267 R CA 0.429 56.533 56.100 0.006 0.000 1.064 267 R CB 0.851 31.155 30.300 0.006 0.000 1.046 267 R HN 0.271 nan 8.270 nan 0.000 0.508 268 G N 2.283 111.087 108.800 0.006 0.000 2.323 268 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.292 268 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.292 268 G C 0.020 174.923 174.900 0.005 0.000 1.040 268 G CA 0.116 45.219 45.100 0.005 0.000 0.942 268 G HN 0.264 nan 8.290 nan 0.000 0.506 269 I N -0.260 120.313 120.570 0.004 0.000 2.385 269 I HA 0.278 4.448 4.170 -0.000 0.000 0.294 269 I C 0.501 176.617 176.117 -0.001 0.000 0.988 269 I CA -0.746 60.556 61.300 0.003 0.000 1.265 269 I CB 1.663 39.665 38.000 0.003 0.000 1.388 269 I HN 0.007 nan 8.210 nan 0.000 0.480 270 Q N 7.463 127.261 119.800 -0.004 0.000 2.377 270 Q HA 0.370 4.709 4.340 -0.000 0.000 0.249 270 Q C -2.411 173.576 176.000 -0.023 0.000 1.005 270 Q CA -1.691 54.105 55.803 -0.010 0.000 0.912 270 Q CB 1.294 30.026 28.738 -0.009 0.000 1.223 270 Q HN 0.315 nan 8.270 nan 0.000 0.459 271 P HA 0.092 nan 4.420 nan 0.000 0.278 271 P C 0.475 177.736 177.300 -0.065 0.000 1.238 271 P CA -0.552 62.526 63.100 -0.037 0.000 0.794 271 P CB 0.811 32.498 31.700 -0.021 0.000 0.955 272 L N 0.918 122.079 121.223 -0.103 0.000 2.549 272 L HA 0.214 4.554 4.340 -0.000 0.000 0.229 272 L C 1.290 178.099 176.870 -0.101 0.000 1.158 272 L CA 1.334 56.077 54.840 -0.163 0.000 0.842 272 L CB -1.564 40.336 42.059 -0.264 0.000 0.952 272 L HN 0.784 nan 8.230 nan 0.000 0.452 273 G N -1.252 107.517 108.800 -0.053 0.000 2.359 273 G HA2 0.222 4.182 3.960 -0.000 0.000 0.293 273 G HA3 0.222 4.182 3.960 -0.000 0.000 0.293 273 G C -1.250 173.653 174.900 0.006 0.000 1.300 273 G CA -0.888 44.204 45.100 -0.014 0.000 0.888 273 G HN 0.032 nan 8.290 nan 0.000 0.541 274 R N -0.576 119.944 120.500 0.034 0.000 2.628 274 R HA 0.672 5.012 4.340 -0.000 0.000 0.288 274 R C -0.697 175.632 176.300 0.049 0.000 0.980 274 R CA -0.952 55.170 56.100 0.037 0.000 0.891 274 R CB 1.340 31.668 30.300 0.047 0.000 1.188 274 R HN 0.485 nan 8.270 nan 0.000 0.450 275 I N 5.370 125.961 120.570 0.035 0.000 2.322 275 I HA 0.063 4.233 4.170 -0.000 0.000 0.292 275 I C 1.216 177.348 176.117 0.024 0.000 1.060 275 I CA -0.195 61.127 61.300 0.037 0.000 1.309 275 I CB 1.657 39.677 38.000 0.033 0.000 1.415 275 I HN 0.522 nan 8.210 nan 0.000 0.492 276 V N 4.905 124.809 119.914 -0.017 0.000 3.471 276 V HA 0.180 4.300 4.120 -0.000 0.000 0.258 276 V C 0.631 176.643 176.094 -0.137 0.000 1.192 276 V CA 1.221 63.463 62.300 -0.096 0.000 1.116 276 V CB 0.107 31.819 31.823 -0.184 0.000 0.792 276 V HN 0.882 nan 8.190 nan 0.000 0.459 277 S N -0.711 114.944 115.700 -0.076 0.000 2.645 277 S HA 0.545 5.015 4.470 -0.000 0.000 0.268 277 S C -1.446 173.240 174.600 0.142 0.000 1.110 277 S CA -0.266 57.917 58.200 -0.029 0.000 0.823 277 S CB 1.036 64.116 63.200 -0.200 0.000 1.091 277 S HN 1.304 nan 8.310 nan 0.000 0.466 278 W N 0.250 121.514 121.300 -0.061 0.000 2.937 278 W HA 0.821 5.481 4.660 -0.000 0.000 0.360 278 W C -1.875 174.636 176.519 -0.014 0.000 1.215 278 W CA -0.758 56.572 57.345 -0.024 0.000 1.183 278 W CB 0.835 30.290 29.460 -0.008 0.000 1.458 278 W HN 1.707 nan 8.180 nan 0.000 0.574 279 A N 1.146 123.870 122.820 -0.160 0.000 2.590 279 A HA 0.592 4.912 4.320 -0.000 0.000 0.296 279 A C -1.727 175.830 177.584 -0.046 0.000 1.050 279 A CA -0.236 51.495 52.037 -0.511 0.000 0.697 279 A CB 1.409 20.217 19.000 -0.320 0.000 1.277 279 A HN 0.854 nan 8.150 nan 0.000 0.411 280 T N 0.870 115.366 114.554 -0.096 0.000 2.881 280 T HA 0.664 5.014 4.350 -0.000 0.000 0.290 280 T C -1.225 173.486 174.700 0.018 0.000 1.000 280 T CA -0.245 61.916 62.100 0.102 0.000 0.978 280 T CB 0.927 69.963 68.868 0.281 0.000 0.997 280 T HN 1.269 nan 8.240 nan 0.000 0.443 281 V N 2.883 122.817 119.914 0.032 0.000 3.040 281 V HA 0.899 5.019 4.120 -0.000 0.000 0.312 281 V C 0.747 176.860 176.094 0.032 0.000 1.115 281 V CA -0.932 61.376 62.300 0.013 0.000 0.998 281 V CB 2.286 34.104 31.823 -0.008 0.000 1.042 281 V HN 1.035 nan 8.190 nan 0.000 0.433 282 G N 0.241 109.054 108.800 0.021 0.000 2.417 282 G HA2 0.752 4.712 3.960 -0.000 0.000 0.334 282 G HA3 0.752 4.712 3.960 -0.000 0.000 0.334 282 G C -0.753 174.157 174.900 0.016 0.000 1.150 282 G CA -0.251 44.864 45.100 0.024 0.000 0.923 282 G HN 1.236 nan 8.290 nan 0.000 0.485 283 V N -1.329 118.598 119.914 0.021 0.000 3.182 283 V HA 0.664 4.784 4.120 -0.000 0.000 0.308 283 V C -0.654 175.449 176.094 0.016 0.000 1.240 283 V CA -1.235 61.077 62.300 0.019 0.000 1.063 283 V CB 1.769 33.611 31.823 0.031 0.000 1.076 283 V HN 0.610 nan 8.190 nan 0.000 0.446 284 D N 1.737 122.147 120.400 0.017 0.000 2.487 284 D HA 0.213 4.853 4.640 -0.000 0.000 0.243 284 D C -1.626 174.702 176.300 0.047 0.000 1.154 284 D CA -1.125 52.887 54.000 0.021 0.000 0.876 284 D CB 1.669 42.479 40.800 0.017 0.000 1.161 284 D HN 0.406 nan 8.370 nan 0.000 0.478 285 P HA -0.176 nan 4.420 nan 0.000 0.216 285 P C 1.086 178.473 177.300 0.144 0.000 1.150 285 P CA 1.565 64.763 63.100 0.164 0.000 0.843 285 P CB 0.215 32.081 31.700 0.277 0.000 0.787 286 K N -0.480 119.954 120.400 0.057 0.000 2.057 286 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 286 K C 1.120 177.710 176.600 -0.017 0.000 1.049 286 K CA 1.634 57.894 56.287 -0.045 0.000 0.931 286 K CB -0.471 31.912 32.500 -0.194 0.000 0.714 286 K HN 0.148 nan 8.250 nan 0.000 0.440 287 V N 0.074 119.987 119.914 -0.001 0.000 2.908 287 V HA 0.119 4.239 4.120 -0.000 0.000 0.369 287 V C 1.063 177.168 176.094 0.017 0.000 1.259 287 V CA -0.391 61.912 62.300 0.006 0.000 1.406 287 V CB -0.160 31.688 31.823 0.042 0.000 1.475 287 V HN 0.193 nan 8.190 nan 0.000 0.587 288 M N 0.732 120.344 119.600 0.019 0.000 2.267 288 M HA 0.179 4.659 4.480 -0.000 0.000 0.263 288 M C 1.769 178.084 176.300 0.025 0.000 1.063 288 M CA 2.413 57.737 55.300 0.039 0.000 1.090 288 M CB -1.339 31.300 32.600 0.065 0.000 1.392 288 M HN 0.301 nan 8.290 nan 0.000 0.422 289 G N 0.093 108.886 108.800 -0.012 0.000 2.498 289 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 289 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 289 G C 1.548 176.428 174.900 -0.034 0.000 1.119 289 G CA 1.203 46.290 45.100 -0.022 0.000 0.766 289 G HN 0.714 nan 8.290 nan 0.000 0.552 290 T N -2.160 112.385 114.554 -0.016 0.000 3.088 290 T HA 0.204 4.553 4.350 -0.000 0.000 0.259 290 T C 2.386 177.088 174.700 0.003 0.000 1.122 290 T CA 1.041 63.132 62.100 -0.016 0.000 1.095 290 T CB -0.012 68.893 68.868 0.061 0.000 0.930 290 T HN 0.187 nan 8.240 nan 0.000 0.508 291 G N 3.060 111.874 108.800 0.024 0.000 2.663 291 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.222 291 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.222 291 G C -0.540 174.382 174.900 0.036 0.000 1.146 291 G CA 1.139 46.262 45.100 0.039 0.000 0.764 291 G HN 0.480 nan 8.290 nan 0.000 0.608 292 P HA -0.020 nan 4.420 nan 0.000 0.221 292 P C 1.830 179.135 177.300 0.007 0.000 1.145 292 P CA 0.654 63.786 63.100 0.055 0.000 0.795 292 P CB -0.071 31.677 31.700 0.081 0.000 0.775 293 I N 0.560 121.109 120.570 -0.036 0.000 2.163 293 I HA -0.124 4.046 4.170 -0.000 0.000 0.240 293 I C -0.368 175.722 176.117 -0.045 0.000 1.081 293 I CA 1.742 62.994 61.300 -0.079 0.000 1.353 293 I CB -2.125 35.839 38.000 -0.061 0.000 1.054 293 I HN 0.062 nan 8.210 nan 0.000 0.407 294 P HA -0.034 nan 4.420 nan 0.000 0.219 294 P C 1.461 178.755 177.300 -0.010 0.000 1.154 294 P CA 1.578 64.671 63.100 -0.013 0.000 0.826 294 P CB 0.066 31.763 31.700 -0.005 0.000 0.795 295 A N 0.230 123.056 122.820 0.010 0.000 1.933 295 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 295 A C 2.457 180.061 177.584 0.034 0.000 1.175 295 A CA 1.930 53.978 52.037 0.019 0.000 0.628 295 A CB -1.489 17.547 19.000 0.060 0.000 0.814 295 A HN 0.149 nan 8.150 nan 0.000 0.444 296 S N -0.431 115.302 115.700 0.055 0.000 2.355 296 S HA -0.131 4.339 4.470 -0.000 0.000 0.222 296 S C 2.096 176.736 174.600 0.066 0.000 1.031 296 S CA 1.312 59.573 58.200 0.102 0.000 0.993 296 S CB -0.285 62.987 63.200 0.119 0.000 0.859 296 S HN 0.624 nan 8.310 nan 0.000 0.453 297 R N 1.071 121.579 120.500 0.014 0.000 2.075 297 R HA 0.020 4.360 4.340 -0.000 0.000 0.232 297 R C 2.354 178.648 176.300 -0.010 0.000 1.126 297 R CA 0.815 56.919 56.100 0.006 0.000 0.963 297 R CB -0.221 30.069 30.300 -0.017 0.000 0.858 297 R HN 0.118 nan 8.270 nan 0.000 0.435 298 K N 1.281 121.660 120.400 -0.035 0.000 1.991 298 K HA -0.093 4.227 4.320 -0.000 0.000 0.212 298 K C 2.024 178.562 176.600 -0.104 0.000 1.049 298 K CA 1.868 58.107 56.287 -0.079 0.000 0.932 298 K CB -0.487 31.947 32.500 -0.110 0.000 0.717 298 K HN 0.149 nan 8.250 nan 0.000 0.441 299 A N 1.275 124.043 122.820 -0.087 0.000 1.908 299 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 299 A C 2.494 180.018 177.584 -0.100 0.000 1.181 299 A CA 1.606 53.583 52.037 -0.100 0.000 0.627 299 A CB -0.660 18.332 19.000 -0.014 0.000 0.818 299 A HN 0.319 nan 8.150 nan 0.000 0.445 300 L N -0.960 120.254 121.223 -0.016 0.000 2.046 300 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 300 L C 2.787 179.645 176.870 -0.019 0.000 1.077 300 L CA 1.677 56.536 54.840 0.032 0.000 0.747 300 L CB -0.427 41.719 42.059 0.145 0.000 0.896 300 L HN 0.508 nan 8.230 nan 0.000 0.432 301 E N 0.495 120.680 120.200 -0.026 0.000 2.106 301 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 301 E C 2.295 178.847 176.600 -0.081 0.000 0.984 301 E CA 1.045 57.425 56.400 -0.034 0.000 0.806 301 E CB 0.132 29.813 29.700 -0.032 0.000 0.750 301 E HN 0.407 nan 8.360 nan 0.000 0.458 302 R N -0.258 120.166 120.500 -0.126 0.000 2.092 302 R HA -0.050 4.289 4.340 -0.000 0.000 0.231 302 R C 2.180 178.363 176.300 -0.195 0.000 1.119 302 R CA 1.113 57.120 56.100 -0.155 0.000 0.970 302 R CB -0.144 30.038 30.300 -0.196 0.000 0.864 302 R HN 0.067 nan 8.270 nan 0.000 0.440 303 A N -0.008 122.634 122.820 -0.296 0.000 2.208 303 A HA 0.176 4.496 4.320 -0.000 0.000 0.209 303 A C 1.312 178.654 177.584 -0.403 0.000 1.161 303 A CA 0.699 52.424 52.037 -0.520 0.000 0.782 303 A CB -0.084 18.280 19.000 -1.060 0.000 0.816 303 A HN 0.433 nan 8.150 nan 0.000 0.477 304 G N -1.987 106.720 108.800 -0.156 0.000 2.249 304 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.273 304 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.273 304 G C -0.247 174.785 174.900 0.220 0.000 1.036 304 G CA 0.440 45.551 45.100 0.018 0.000 0.824 304 G HN 0.374 nan 8.290 nan 0.000 0.504 305 W N -0.196 121.120 121.300 0.026 0.000 2.578 305 W HA 0.723 5.383 4.660 -0.000 0.000 0.353 305 W C 0.634 177.176 176.519 0.038 0.000 1.088 305 W CA -1.667 55.698 57.345 0.033 0.000 1.235 305 W CB 0.997 30.483 29.460 0.043 0.000 1.362 305 W HN 0.040 nan 8.180 nan 0.000 0.592 306 K N 0.913 121.472 120.400 0.265 0.000 2.106 306 K HA 0.309 4.629 4.320 -0.000 0.000 0.246 306 K C 1.053 177.763 176.600 0.183 0.000 0.987 306 K CA -0.791 55.598 56.287 0.171 0.000 0.904 306 K CB 1.321 33.883 32.500 0.103 0.000 1.071 306 K HN 0.110 nan 8.250 nan 0.000 0.453 307 I N 1.017 121.686 120.570 0.165 0.000 2.423 307 I HA -0.175 3.995 4.170 -0.000 0.000 0.254 307 I C 2.048 178.263 176.117 0.164 0.000 1.151 307 I CA 1.495 62.920 61.300 0.208 0.000 1.421 307 I CB -0.560 37.554 38.000 0.190 0.000 1.079 307 I HN 0.908 nan 8.210 nan 0.000 0.431 308 G N -0.257 108.604 108.800 0.101 0.000 2.484 308 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.218 308 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.218 308 G C 1.264 176.162 174.900 -0.003 0.000 1.130 308 G CA 0.371 45.504 45.100 0.055 0.000 0.784 308 G HN 0.284 nan 8.290 nan 0.000 0.543 309 D N 0.454 120.835 120.400 -0.031 0.000 2.263 309 D HA -0.019 4.621 4.640 -0.000 0.000 0.208 309 D C 1.283 177.442 176.300 -0.236 0.000 0.971 309 D CA 0.201 54.096 54.000 -0.176 0.000 0.867 309 D CB -0.040 40.587 40.800 -0.289 0.000 0.929 309 D HN 0.247 nan 8.370 nan 0.000 0.492 310 L N 1.293 122.453 121.223 -0.105 0.000 2.453 310 L HA 0.019 4.359 4.340 -0.000 0.000 0.272 310 L C 1.129 177.932 176.870 -0.112 0.000 1.182 310 L CA 0.032 54.812 54.840 -0.100 0.000 0.858 310 L CB 0.676 42.746 42.059 0.019 0.000 1.120 310 L HN -0.224 nan 8.230 nan 0.000 0.474 311 D N 2.027 122.347 120.400 -0.133 0.000 2.423 311 D HA 0.266 4.906 4.640 -0.000 0.000 0.208 311 D C -0.394 175.847 176.300 -0.098 0.000 1.068 311 D CA 0.455 54.391 54.000 -0.108 0.000 0.860 311 D CB 0.921 41.655 40.800 -0.111 0.000 0.992 311 D HN 0.107 nan 8.370 nan 0.000 0.504 312 L N 0.344 121.505 121.223 -0.105 0.000 2.592 312 L HA 0.356 4.696 4.340 -0.000 0.000 0.258 312 L C -1.751 175.034 176.870 -0.141 0.000 0.926 312 L CA -0.688 54.085 54.840 -0.111 0.000 0.885 312 L CB 2.290 44.307 42.059 -0.070 0.000 1.380 312 L HN -0.333 nan 8.230 nan 0.000 0.415 313 V N 3.318 123.101 119.914 -0.219 0.000 2.760 313 V HA 0.616 4.736 4.120 -0.000 0.000 0.309 313 V C -0.945 175.021 176.094 -0.214 0.000 1.077 313 V CA -0.693 61.418 62.300 -0.316 0.000 0.910 313 V CB 2.190 33.550 31.823 -0.773 0.000 1.008 313 V HN 0.639 nan 8.190 nan 0.000 0.424 314 E N 3.130 123.261 120.200 -0.114 0.000 2.145 314 E HA 0.657 5.007 4.350 -0.000 0.000 0.262 314 E C -0.545 176.064 176.600 0.013 0.000 0.883 314 E CA -0.341 56.043 56.400 -0.028 0.000 0.748 314 E CB 2.118 31.837 29.700 0.032 0.000 1.140 314 E HN 0.782 nan 8.360 nan 0.000 0.417 315 A N 2.491 125.338 122.820 0.044 0.000 2.293 315 A HA 0.623 4.943 4.320 -0.000 0.000 0.312 315 A C 0.214 177.883 177.584 0.141 0.000 1.309 315 A CA -0.581 51.541 52.037 0.141 0.000 0.839 315 A CB 0.752 19.903 19.000 0.251 0.000 1.155 315 A HN 0.602 nan 8.150 nan 0.000 0.501 316 A N 2.750 125.649 122.820 0.131 0.000 2.580 316 A HA 0.229 4.549 4.320 -0.000 0.000 0.244 316 A C 0.314 177.938 177.584 0.067 0.000 1.045 316 A CA 0.408 52.511 52.037 0.111 0.000 0.761 316 A CB -0.257 18.826 19.000 0.139 0.000 0.962 316 A HN 0.774 nan 8.150 nan 0.000 0.512 317 E N 2.660 122.887 120.200 0.046 0.000 1.964 317 E HA 0.326 4.675 4.350 -0.000 0.000 0.264 317 E C 1.226 177.721 176.600 -0.174 0.000 1.120 317 E CA 0.165 56.578 56.400 0.021 0.000 1.061 317 E CB 0.505 30.298 29.700 0.155 0.000 1.190 317 E HN 0.773 nan 8.360 nan 0.000 0.459 318 A N 3.125 125.818 122.820 -0.211 0.000 1.877 318 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 318 A C 0.312 177.595 177.584 -0.502 0.000 1.186 318 A CA 1.195 53.006 52.037 -0.376 0.000 0.620 318 A CB 0.117 19.117 19.000 0.000 0.000 0.822 318 A HN 0.423 nan 8.150 nan 0.000 0.443 319 F N -4.407 115.468 119.950 -0.125 0.000 2.619 319 F HA 0.576 5.103 4.527 -0.000 0.000 0.308 319 F C 1.038 176.743 175.800 -0.159 0.000 1.097 319 F CA -0.526 57.415 58.000 -0.098 0.000 0.953 319 F CB 1.487 40.422 39.000 -0.108 0.000 1.287 319 F HN 0.068 nan 8.300 nan 0.000 0.446 320 A N 1.624 124.463 122.820 0.033 0.000 1.917 320 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 320 A C 2.220 179.625 177.584 -0.299 0.000 1.182 320 A CA 2.434 54.347 52.037 -0.205 0.000 0.633 320 A CB -1.138 17.867 19.000 0.009 0.000 0.819 320 A HN 0.940 nan 8.150 nan 0.000 0.448 321 A N 0.170 122.928 122.820 -0.103 0.000 1.865 321 A HA -0.243 4.076 4.320 -0.000 0.000 0.217 321 A C 2.165 179.611 177.584 -0.229 0.000 1.191 321 A CA 2.331 54.284 52.037 -0.139 0.000 0.623 321 A CB -0.726 18.221 19.000 -0.089 0.000 0.826 321 A HN 0.749 nan 8.150 nan 0.000 0.444 322 Q N -0.274 119.420 119.800 -0.177 0.000 2.123 322 Q HA 0.236 4.576 4.340 -0.000 0.000 0.199 322 Q C 1.872 177.711 176.000 -0.269 0.000 0.966 322 Q CA 1.885 57.560 55.803 -0.214 0.000 0.845 322 Q CB -0.884 27.795 28.738 -0.098 0.000 0.907 322 Q HN 0.469 nan 8.270 nan 0.000 0.439 323 A N 0.656 123.308 122.820 -0.280 0.000 1.877 323 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 323 A C 2.351 179.712 177.584 -0.371 0.000 1.186 323 A CA 1.385 53.241 52.037 -0.302 0.000 0.620 323 A CB -1.203 17.552 19.000 -0.408 0.000 0.822 323 A HN 0.608 nan 8.150 nan 0.000 0.443 324 C N -0.959 118.017 119.300 -0.540 0.000 2.413 324 C HA 0.009 4.469 4.460 -0.000 0.000 0.276 324 C C 3.328 178.095 174.990 -0.372 0.000 1.236 324 C CA 0.822 59.621 59.018 -0.365 0.000 1.735 324 C CB -1.435 26.121 27.740 -0.307 0.000 2.031 324 C HN 0.704 nan 8.230 nan 0.000 0.474 325 A N 0.366 122.844 122.820 -0.569 0.000 1.883 325 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 325 A C 2.287 179.276 177.584 -0.992 0.000 1.186 325 A CA 2.412 53.770 52.037 -1.132 0.000 0.624 325 A CB -0.805 17.313 19.000 -1.471 0.000 0.822 325 A HN 0.384 nan 8.150 nan 0.000 0.444 326 V N 0.918 120.493 119.914 -0.566 0.000 2.295 326 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 326 V C 2.256 178.143 176.094 -0.346 0.000 1.049 326 V CA 2.076 64.147 62.300 -0.381 0.000 1.024 326 V CB -1.017 30.699 31.823 -0.177 0.000 0.648 326 V HN 0.546 nan 8.190 nan 0.000 0.447 327 N N 0.215 118.819 118.700 -0.161 0.000 2.223 327 N HA -0.188 4.552 4.740 -0.000 0.000 0.185 327 N C 1.832 177.276 175.510 -0.110 0.000 1.016 327 N CA 1.461 54.510 53.050 -0.002 0.000 0.863 327 N CB -0.250 38.373 38.487 0.226 0.000 0.983 327 N HN 0.514 nan 8.380 nan 0.000 0.429 328 K N 0.579 120.883 120.400 -0.160 0.000 2.076 328 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 328 K C 1.587 178.162 176.600 -0.042 0.000 1.051 328 K CA 0.891 57.140 56.287 -0.063 0.000 0.949 328 K CB 0.054 32.553 32.500 -0.002 0.000 0.726 328 K HN -0.029 nan 8.250 nan 0.000 0.443 329 D N 0.458 120.770 120.400 -0.146 0.000 2.117 329 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 329 D C 1.896 178.116 176.300 -0.133 0.000 0.982 329 D CA 0.988 54.996 54.000 0.013 0.000 0.828 329 D CB 0.172 41.005 40.800 0.055 0.000 0.967 329 D HN 0.194 nan 8.370 nan 0.000 0.464 330 L N -0.359 120.647 121.223 -0.363 0.000 2.109 330 L HA 0.033 4.373 4.340 -0.000 0.000 0.207 330 L C 1.853 178.512 176.870 -0.353 0.000 1.086 330 L CA 1.074 55.602 54.840 -0.520 0.000 0.760 330 L CB -0.171 41.172 42.059 -1.193 0.000 0.910 330 L HN 0.287 nan 8.230 nan 0.000 0.437 331 G N -1.110 107.520 108.800 -0.283 0.000 2.159 331 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.256 331 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.256 331 G C -0.079 174.865 174.900 0.073 0.000 0.977 331 G CA 0.133 45.196 45.100 -0.062 0.000 0.652 331 G HN 0.323 nan 8.290 nan 0.000 0.531 332 W N 0.877 122.198 121.300 0.034 0.000 2.093 332 W HA 0.625 5.285 4.660 -0.000 0.000 0.352 332 W C 0.047 176.584 176.519 0.030 0.000 1.294 332 W CA -2.316 55.049 57.345 0.032 0.000 1.290 332 W CB 0.099 29.581 29.460 0.037 0.000 1.149 332 W HN 0.121 nan 8.180 nan 0.000 0.606 333 D N 3.485 124.059 120.400 0.291 0.000 2.363 333 D HA 0.059 4.699 4.640 -0.000 0.000 0.263 333 D C -1.008 175.356 176.300 0.107 0.000 1.258 333 D CA -2.008 52.081 54.000 0.150 0.000 0.907 333 D CB 1.002 41.845 40.800 0.072 0.000 1.107 333 D HN 0.141 nan 8.370 nan 0.000 0.495 334 P HA -0.154 nan 4.420 nan 0.000 0.226 334 P C 0.809 178.129 177.300 0.034 0.000 1.146 334 P CA 0.752 63.921 63.100 0.115 0.000 0.773 334 P CB 0.056 31.832 31.700 0.126 0.000 0.772 335 S N -0.642 115.065 115.700 0.012 0.000 2.575 335 S HA 0.054 4.524 4.470 -0.000 0.000 0.215 335 S C 1.549 176.122 174.600 -0.045 0.000 0.966 335 S CA -0.215 57.975 58.200 -0.016 0.000 0.911 335 S CB -1.133 62.062 63.200 -0.008 0.000 0.780 335 S HN 0.341 nan 8.310 nan 0.000 0.514 336 I N -1.591 118.934 120.570 -0.074 0.000 4.009 336 I HA 0.502 4.672 4.170 -0.000 0.000 0.331 336 I C -0.820 175.194 176.117 -0.173 0.000 1.462 336 I CA -0.570 60.663 61.300 -0.111 0.000 1.117 336 I CB 0.791 38.722 38.000 -0.114 0.000 1.091 336 I HN -0.057 nan 8.210 nan 0.000 0.410 337 V N 3.295 123.109 119.914 -0.167 0.000 2.350 337 V HA 0.371 4.491 4.120 -0.000 0.000 0.276 337 V C -0.001 176.041 176.094 -0.088 0.000 1.028 337 V CA -0.515 61.666 62.300 -0.199 0.000 0.860 337 V CB 0.546 32.251 31.823 -0.196 0.000 0.990 337 V HN 0.555 nan 8.190 nan 0.000 0.453 338 N N 2.910 121.568 118.700 -0.071 0.000 2.738 338 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 338 N C 1.095 176.589 175.510 -0.026 0.000 1.047 338 N CA 0.825 53.866 53.050 -0.016 0.000 0.707 338 N CB -1.107 37.390 38.487 0.017 0.000 0.937 338 N HN 0.474 nan 8.380 nan 0.000 0.545 339 V N -0.028 119.861 119.914 -0.042 0.000 2.313 339 V HA -0.294 3.826 4.120 -0.000 0.000 0.253 339 V C 1.591 177.660 176.094 -0.041 0.000 1.070 339 V CA 2.278 64.548 62.300 -0.049 0.000 1.057 339 V CB -0.139 31.650 31.823 -0.057 0.000 0.653 339 V HN 0.502 nan 8.190 nan 0.000 0.450 340 N N 0.070 118.763 118.700 -0.011 0.000 2.295 340 N HA 0.365 5.104 4.740 -0.000 0.000 0.221 340 N C 0.562 176.164 175.510 0.152 0.000 1.129 340 N CA 0.904 53.962 53.050 0.013 0.000 0.836 340 N CB 0.610 39.025 38.487 -0.119 0.000 1.040 340 N HN 0.607 nan 8.380 nan 0.000 0.494 341 G N -1.130 107.708 108.800 0.063 0.000 2.781 341 G HA2 0.090 4.050 3.960 -0.000 0.000 0.683 341 G HA3 0.090 4.050 3.960 -0.000 0.000 0.683 341 G C -0.062 174.879 174.900 0.068 0.000 1.390 341 G CA -0.584 44.539 45.100 0.038 0.000 0.850 341 G HN 0.474 nan 8.290 nan 0.000 0.557 342 G N -1.592 107.229 108.800 0.035 0.000 3.175 342 G HA2 0.831 4.791 3.960 -0.000 0.000 0.255 342 G HA3 0.831 4.791 3.960 -0.000 0.000 0.255 342 G C 1.261 176.204 174.900 0.071 0.000 1.352 342 G CA 0.948 46.090 45.100 0.071 0.000 1.037 342 G HN 2.013 nan 8.290 nan 0.000 0.556 343 A N -0.750 122.121 122.820 0.084 0.000 1.978 343 A HA 0.001 4.320 4.320 -0.000 0.000 0.220 343 A C 2.297 179.941 177.584 0.102 0.000 1.170 343 A CA 1.348 53.436 52.037 0.085 0.000 0.636 343 A CB -0.589 18.440 19.000 0.048 0.000 0.810 343 A HN 0.518 nan 8.150 nan 0.000 0.448 344 I N -0.735 119.885 120.570 0.084 0.000 2.248 344 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 344 I C 2.709 178.888 176.117 0.102 0.000 1.107 344 I CA 1.359 62.717 61.300 0.096 0.000 1.373 344 I CB -0.172 37.889 38.000 0.101 0.000 1.055 344 I HN 0.411 nan 8.210 nan 0.000 0.418 345 A N -0.050 122.797 122.820 0.046 0.000 1.993 345 A HA 0.180 4.500 4.320 -0.000 0.000 0.207 345 A C 2.098 179.690 177.584 0.013 0.000 1.224 345 A CA 0.262 52.267 52.037 -0.054 0.000 0.749 345 A CB -0.202 18.748 19.000 -0.083 0.000 0.884 345 A HN 0.284 nan 8.150 nan 0.000 0.467 346 I N -0.794 119.822 120.570 0.076 0.000 2.703 346 I HA 0.282 4.452 4.170 -0.000 0.000 0.259 346 I C 1.203 177.426 176.117 0.177 0.000 1.151 346 I CA 1.107 62.434 61.300 0.046 0.000 1.470 346 I CB 0.027 37.990 38.000 -0.062 0.000 1.112 346 I HN 0.442 nan 8.210 nan 0.000 0.437 347 G N 0.281 109.211 108.800 0.217 0.000 2.484 347 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.685 347 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.685 347 G C -0.815 174.114 174.900 0.048 0.000 1.294 347 G CA -0.761 44.340 45.100 0.001 0.000 0.879 347 G HN 0.339 nan 8.290 nan 0.000 0.646 348 H N 1.827 120.810 119.070 -0.144 0.000 2.348 348 H HA 0.405 4.961 4.556 -0.000 0.000 0.232 348 H C -2.463 172.812 175.328 -0.088 0.000 1.419 348 H CA -1.595 54.397 56.048 -0.093 0.000 1.416 348 H CB 1.387 31.090 29.762 -0.098 0.000 1.510 348 H HN 0.274 nan 8.280 nan 0.000 0.507 349 P HA 0.058 nan 4.420 nan 0.000 0.271 349 P C 1.348 178.474 177.300 -0.290 0.000 1.380 349 P CA 0.053 63.042 63.100 -0.184 0.000 0.992 349 P CB 0.206 31.843 31.700 -0.105 0.000 1.230 350 I N 2.290 122.660 120.570 -0.333 0.000 2.345 350 I HA -0.383 3.787 4.170 -0.000 0.000 0.228 350 I C 2.502 178.484 176.117 -0.224 0.000 0.960 350 I CA 2.379 63.475 61.300 -0.340 0.000 1.262 350 I CB -1.429 36.474 38.000 -0.161 0.000 0.969 350 I HN 0.369 nan 8.210 nan 0.000 0.385 351 G N -0.453 108.265 108.800 -0.137 0.000 2.462 351 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.220 351 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.220 351 G C 1.613 176.453 174.900 -0.099 0.000 1.121 351 G CA 0.934 45.975 45.100 -0.098 0.000 0.758 351 G HN 0.610 nan 8.290 nan 0.000 0.559 352 A N -0.141 122.611 122.820 -0.114 0.000 2.115 352 A HA 0.380 4.700 4.320 -0.000 0.000 0.211 352 A C 2.502 180.039 177.584 -0.078 0.000 1.169 352 A CA 1.341 53.323 52.037 -0.091 0.000 0.787 352 A CB -0.171 18.777 19.000 -0.086 0.000 0.858 352 A HN 0.212 nan 8.150 nan 0.000 0.474 353 S N 0.198 115.825 115.700 -0.122 0.000 2.380 353 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 353 S C 2.022 176.627 174.600 0.008 0.000 1.043 353 S CA 1.617 59.772 58.200 -0.076 0.000 1.038 353 S CB -0.530 62.558 63.200 -0.186 0.000 0.872 353 S HN 0.772 nan 8.310 nan 0.000 0.456 354 G N 0.387 109.190 108.800 0.005 0.000 2.448 354 G HA2 0.020 3.980 3.960 -0.000 0.000 0.219 354 G HA3 0.020 3.980 3.960 -0.000 0.000 0.219 354 G C 1.395 176.311 174.900 0.027 0.000 1.127 354 G CA 0.899 46.020 45.100 0.034 0.000 0.766 354 G HN 0.594 nan 8.290 nan 0.000 0.552 355 A N 0.026 122.849 122.820 0.004 0.000 1.984 355 A HA 0.226 4.546 4.320 -0.000 0.000 0.214 355 A C 2.334 179.937 177.584 0.032 0.000 1.173 355 A CA 1.110 53.151 52.037 0.008 0.000 0.673 355 A CB -0.265 18.723 19.000 -0.019 0.000 0.830 355 A HN 0.195 nan 8.150 nan 0.000 0.453 356 R N 1.023 121.538 120.500 0.025 0.000 2.070 356 R HA -0.147 4.193 4.340 -0.000 0.000 0.233 356 R C 2.024 178.369 176.300 0.075 0.000 1.137 356 R CA 2.157 58.281 56.100 0.040 0.000 0.945 356 R CB -0.819 29.492 30.300 0.018 0.000 0.845 356 R HN 0.725 nan 8.270 nan 0.000 0.430 357 I N -1.614 119.003 120.570 0.077 0.000 2.614 357 I HA -0.138 4.032 4.170 -0.000 0.000 0.258 357 I C 2.285 178.460 176.117 0.097 0.000 1.189 357 I CA 1.073 62.430 61.300 0.096 0.000 1.462 357 I CB -0.288 37.770 38.000 0.098 0.000 1.092 357 I HN 0.063 nan 8.210 nan 0.000 0.442 358 L N 1.129 122.403 121.223 0.085 0.000 2.056 358 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 358 L C 2.454 179.389 176.870 0.108 0.000 1.078 358 L CA 1.452 56.340 54.840 0.080 0.000 0.749 358 L CB -0.563 41.531 42.059 0.057 0.000 0.901 358 L HN 0.418 nan 8.230 nan 0.000 0.433 359 N N -0.829 117.957 118.700 0.143 0.000 2.025 359 N HA -0.190 4.550 4.740 -0.000 0.000 0.194 359 N C 1.568 177.267 175.510 0.315 0.000 1.044 359 N CA 2.198 55.399 53.050 0.252 0.000 0.851 359 N CB -0.157 38.466 38.487 0.226 0.000 1.036 359 N HN 0.335 nan 8.380 nan 0.000 0.422 360 T N 3.409 118.105 114.554 0.237 0.000 2.635 360 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 360 T C 1.942 176.752 174.700 0.183 0.000 1.040 360 T CA 0.682 62.928 62.100 0.243 0.000 1.156 360 T CB -0.483 68.527 68.868 0.238 0.000 0.863 360 T HN 0.158 nan 8.240 nan 0.000 0.430 361 L N 0.850 122.148 121.223 0.126 0.000 1.997 361 L HA -0.135 4.205 4.340 -0.000 0.000 0.216 361 L C 2.401 179.305 176.870 0.055 0.000 1.074 361 L CA 1.946 56.829 54.840 0.072 0.000 0.763 361 L CB -1.041 41.053 42.059 0.057 0.000 0.890 361 L HN 0.366 nan 8.230 nan 0.000 0.434 362 L N -1.547 119.706 121.223 0.050 0.000 2.046 362 L HA -0.272 4.068 4.340 -0.000 0.000 0.208 362 L C 2.539 179.317 176.870 -0.153 0.000 1.077 362 L CA 1.420 56.215 54.840 -0.075 0.000 0.747 362 L CB -0.589 41.378 42.059 -0.153 0.000 0.896 362 L HN 0.154 nan 8.230 nan 0.000 0.432 363 F N -0.160 119.803 119.950 0.021 0.000 2.293 363 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 363 F C 2.597 178.388 175.800 -0.015 0.000 1.089 363 F CA 1.011 59.016 58.000 0.009 0.000 1.377 363 F CB -0.106 38.907 39.000 0.023 0.000 1.051 363 F HN 0.035 nan 8.300 nan 0.000 0.511 364 E N 0.564 120.844 120.200 0.134 0.000 2.072 364 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 364 E C 2.165 178.768 176.600 0.006 0.000 0.985 364 E CA 1.448 57.871 56.400 0.039 0.000 0.801 364 E CB -0.291 29.416 29.700 0.012 0.000 0.750 364 E HN 0.304 nan 8.360 nan 0.000 0.452 365 M N 0.316 119.913 119.600 -0.004 0.000 2.073 365 M HA -0.235 4.245 4.480 -0.000 0.000 0.258 365 M C 2.450 178.732 176.300 -0.031 0.000 1.070 365 M CA 2.063 57.348 55.300 -0.026 0.000 1.103 365 M CB -0.389 32.193 32.600 -0.030 0.000 1.321 365 M HN 0.057 nan 8.290 nan 0.000 0.405 366 K N 0.281 120.656 120.400 -0.043 0.000 2.057 366 K HA -0.209 4.110 4.320 -0.000 0.000 0.207 366 K C 2.135 178.728 176.600 -0.013 0.000 1.049 366 K CA 1.465 57.726 56.287 -0.043 0.000 0.931 366 K CB -0.197 32.255 32.500 -0.081 0.000 0.714 366 K HN 0.209 nan 8.250 nan 0.000 0.440 367 R N 0.825 121.330 120.500 0.009 0.000 2.105 367 R HA -0.146 4.193 4.340 -0.000 0.000 0.239 367 R C 2.172 178.465 176.300 -0.011 0.000 1.135 367 R CA 2.002 58.107 56.100 0.008 0.000 0.967 367 R CB -0.018 30.289 30.300 0.012 0.000 0.861 367 R HN 0.325 nan 8.270 nan 0.000 0.442 368 R N -1.734 118.755 120.500 -0.019 0.000 2.365 368 R HA 0.188 4.528 4.340 -0.000 0.000 0.223 368 R C 0.696 176.979 176.300 -0.028 0.000 0.899 368 R CA 0.659 56.742 56.100 -0.027 0.000 1.059 368 R CB 0.415 30.695 30.300 -0.034 0.000 1.086 368 R HN 0.163 nan 8.270 nan 0.000 0.522 369 G N 0.769 109.553 108.800 -0.028 0.000 2.212 369 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.255 369 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.255 369 G C 0.128 175.005 174.900 -0.039 0.000 1.062 369 G CA 0.043 45.125 45.100 -0.030 0.000 0.815 369 G HN 0.675 nan 8.290 nan 0.000 0.497 370 A N -0.932 121.863 122.820 -0.042 0.000 2.388 370 A HA 0.818 5.138 4.320 -0.000 0.000 0.257 370 A C 1.240 178.790 177.584 -0.057 0.000 1.095 370 A CA 0.544 52.548 52.037 -0.055 0.000 0.791 370 A CB 0.594 19.561 19.000 -0.055 0.000 1.029 370 A HN 0.391 nan 8.150 nan 0.000 0.489 371 R N 0.393 120.844 120.500 -0.083 0.000 2.074 371 R HA 0.148 4.488 4.340 -0.000 0.000 0.218 371 R C -0.003 176.233 176.300 -0.107 0.000 1.137 371 R CA 1.306 57.352 56.100 -0.089 0.000 0.998 371 R CB -0.023 30.207 30.300 -0.118 0.000 0.895 371 R HN 0.738 nan 8.270 nan 0.000 0.442 372 K N -0.177 120.097 120.400 -0.211 0.000 2.207 372 K HA 0.635 4.955 4.320 -0.000 0.000 0.255 372 K C -0.423 176.124 176.600 -0.088 0.000 0.941 372 K CA -0.564 55.542 56.287 -0.302 0.000 0.825 372 K CB 2.190 34.097 32.500 -0.989 0.000 1.119 372 K HN 0.205 nan 8.250 nan 0.000 0.430 373 G N 1.505 110.380 108.800 0.124 0.000 2.672 373 G HA2 0.689 4.648 3.960 -0.000 0.000 0.292 373 G HA3 0.689 4.648 3.960 -0.000 0.000 0.292 373 G C -1.973 173.046 174.900 0.198 0.000 1.375 373 G CA -0.675 44.489 45.100 0.107 0.000 0.890 373 G HN 0.493 nan 8.290 nan 0.000 0.476 374 L N 0.317 121.602 121.223 0.103 0.000 2.482 374 L HA 0.845 5.185 4.340 -0.000 0.000 0.263 374 L C -0.535 176.377 176.870 0.070 0.000 0.957 374 L CA -0.797 54.119 54.840 0.127 0.000 0.836 374 L CB 2.061 44.223 42.059 0.171 0.000 1.324 374 L HN 0.914 nan 8.230 nan 0.000 0.406 375 A N 2.551 125.434 122.820 0.106 0.000 2.365 375 A HA 0.847 5.167 4.320 -0.000 0.000 0.318 375 A C -0.759 176.909 177.584 0.140 0.000 1.091 375 A CA -0.417 51.680 52.037 0.100 0.000 0.763 375 A CB 1.983 21.037 19.000 0.091 0.000 1.248 375 A HN 0.629 nan 8.150 nan 0.000 0.442 376 T N 1.118 115.763 114.554 0.150 0.000 2.932 376 T HA 0.635 4.985 4.350 -0.000 0.000 0.318 376 T C -1.828 172.967 174.700 0.158 0.000 1.265 376 T CA -0.300 61.904 62.100 0.173 0.000 1.036 376 T CB 0.576 69.583 68.868 0.232 0.000 1.209 376 T HN 0.622 nan 8.240 nan 0.000 0.484 377 L N 2.958 124.269 121.223 0.146 0.000 2.393 377 L HA 0.711 5.051 4.340 -0.000 0.000 0.260 377 L C 0.349 177.294 176.870 0.126 0.000 1.002 377 L CA -0.882 54.042 54.840 0.141 0.000 0.818 377 L CB 1.573 43.723 42.059 0.151 0.000 1.369 377 L HN 0.954 nan 8.230 nan 0.000 0.412 378 C N 0.629 119.999 119.300 0.116 0.000 2.443 378 C HA 0.865 5.325 4.460 -0.000 0.000 0.369 378 C C 0.016 175.078 174.990 0.121 0.000 1.241 378 C CA -0.847 58.232 59.018 0.102 0.000 2.413 378 C CB -0.011 27.776 27.740 0.078 0.000 2.451 378 C HN 0.644 nan 8.230 nan 0.000 0.595 379 I N 1.869 122.504 120.570 0.108 0.000 2.569 379 I HA 0.487 4.656 4.170 -0.000 0.000 0.290 379 I C 0.862 177.042 176.117 0.106 0.000 1.088 379 I CA -0.348 61.018 61.300 0.111 0.000 1.047 379 I CB 1.576 39.638 38.000 0.103 0.000 1.237 379 I HN 1.030 nan 8.210 nan 0.000 0.421 380 G N 2.604 111.467 108.800 0.105 0.000 2.491 380 G HA2 0.404 4.364 3.960 -0.000 0.000 0.238 380 G HA3 0.404 4.364 3.960 -0.000 0.000 0.238 380 G C 0.922 175.898 174.900 0.127 0.000 1.277 380 G CA 0.640 45.800 45.100 0.100 0.000 0.851 380 G HN 1.233 nan 8.290 nan 0.000 0.573 381 G N -0.241 108.669 108.800 0.183 0.000 2.194 381 G HA2 0.274 4.234 3.960 -0.000 0.000 0.236 381 G HA3 0.274 4.234 3.960 -0.000 0.000 0.236 381 G C 1.101 176.133 174.900 0.220 0.000 0.987 381 G CA 0.796 46.089 45.100 0.322 0.000 0.635 381 G HN 2.755 nan 8.290 nan 0.000 0.520 382 G N -0.680 108.206 108.800 0.142 0.000 2.851 382 G HA2 0.176 4.136 3.960 -0.000 0.000 0.272 382 G HA3 0.176 4.136 3.960 -0.000 0.000 0.272 382 G C -0.242 174.703 174.900 0.075 0.000 1.100 382 G CA 0.769 45.924 45.100 0.090 0.000 1.197 382 G HN 1.246 nan 8.290 nan 0.000 0.561 383 M N -0.614 119.034 119.600 0.081 0.000 2.622 383 M HA 0.702 5.182 4.480 -0.000 0.000 0.276 383 M C 0.242 176.591 176.300 0.081 0.000 1.265 383 M CA -0.297 55.050 55.300 0.078 0.000 0.850 383 M CB 2.588 35.242 32.600 0.090 0.000 1.720 383 M HN 0.819 nan 8.290 nan 0.000 0.465 384 G N 0.283 109.132 108.800 0.081 0.000 2.612 384 G HA2 0.730 4.690 3.960 -0.000 0.000 0.298 384 G HA3 0.730 4.690 3.960 -0.000 0.000 0.298 384 G C -2.280 172.688 174.900 0.114 0.000 1.336 384 G CA -0.646 44.508 45.100 0.091 0.000 0.953 384 G HN 0.587 nan 8.290 nan 0.000 0.482 385 V N 0.130 120.125 119.914 0.135 0.000 2.733 385 V HA 0.892 5.012 4.120 -0.000 0.000 0.306 385 V C -0.663 175.538 176.094 0.180 0.000 1.084 385 V CA -0.032 62.376 62.300 0.180 0.000 0.905 385 V CB 1.499 33.440 31.823 0.197 0.000 1.010 385 V HN 1.734 nan 8.190 nan 0.000 0.424 386 A N 7.043 129.986 122.820 0.204 0.000 2.539 386 A HA 0.976 5.296 4.320 -0.000 0.000 0.296 386 A C -1.056 176.659 177.584 0.218 0.000 1.073 386 A CA -0.627 51.522 52.037 0.187 0.000 0.700 386 A CB 2.137 21.231 19.000 0.157 0.000 1.296 386 A HN 1.413 nan 8.150 nan 0.000 0.405 387 M N 1.595 121.306 119.600 0.185 0.000 2.322 387 M HA 0.514 4.994 4.480 -0.000 0.000 0.286 387 M C -1.960 174.418 176.300 0.130 0.000 1.111 387 M CA -0.253 55.154 55.300 0.178 0.000 0.941 387 M CB 1.581 34.282 32.600 0.168 0.000 1.671 387 M HN 0.683 nan 8.290 nan 0.000 0.470 388 C N 5.290 124.632 119.300 0.070 0.000 2.330 388 C HA 0.688 5.148 4.460 -0.000 0.000 0.344 388 C C -0.322 174.718 174.990 0.083 0.000 1.273 388 C CA -0.722 58.324 59.018 0.048 0.000 1.879 388 C CB 0.171 27.738 27.740 -0.288 0.000 2.376 388 C HN 0.608 nan 8.230 nan 0.000 0.534 389 I N 3.134 123.840 120.570 0.227 0.000 2.436 389 I HA 0.443 4.613 4.170 -0.000 0.000 0.289 389 I C -0.075 176.221 176.117 0.299 0.000 1.010 389 I CA -0.178 61.239 61.300 0.196 0.000 1.098 389 I CB 1.467 39.539 38.000 0.120 0.000 1.266 389 I HN 0.739 nan 8.210 nan 0.000 0.434 390 E N 3.930 124.284 120.200 0.257 0.000 2.187 390 E HA 0.440 4.790 4.350 -0.000 0.000 0.268 390 E C -0.293 176.370 176.600 0.106 0.000 0.896 390 E CA -0.473 56.069 56.400 0.237 0.000 0.766 390 E CB 1.679 31.584 29.700 0.342 0.000 1.142 390 E HN 0.675 nan 8.360 nan 0.000 0.408 391 S N 3.780 119.513 115.700 0.054 0.000 2.584 391 S HA 0.281 4.751 4.470 -0.000 0.000 0.270 391 S C 0.160 174.775 174.600 0.024 0.000 1.346 391 S CA -0.576 57.635 58.200 0.018 0.000 1.018 391 S CB 0.622 63.817 63.200 -0.008 0.000 0.899 391 S HN 0.521 nan 8.310 nan 0.000 0.542 392 L N 0.000 121.229 121.223 0.010 0.000 2.949 392 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 392 L CA 0.000 54.847 54.840 0.012 0.000 0.813 392 L CB 0.000 42.065 42.059 0.010 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502