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 2wkv_1_C DATA FIRST_RESID 4 DATA SEQUENCE SIVIASAART AVGSFNGAFA NTPAHELGAT VISAVLERAG VAAGEVNEVI DATA SEQUENCE LGQVLPAGEG QNPARQAAMK AGVPQEATAW GMNQLCGSGL 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 EADEAFAAQA 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 0.000 174.610 174.600 0.017 0.000 1.055 4 S CA 0.000 58.212 58.200 0.019 0.000 1.107 4 S CB 0.000 63.211 63.200 0.019 0.000 0.593 5 I N 3.931 124.511 120.570 0.017 0.000 2.389 5 I HA 0.671 4.842 4.170 0.001 0.000 0.288 5 I C -0.142 175.980 176.117 0.009 0.000 0.999 5 I CA -0.897 60.409 61.300 0.011 0.000 1.129 5 I CB 1.577 39.583 38.000 0.009 0.000 1.288 5 I HN 0.300 nan 8.210 nan 0.000 0.444 6 V N 4.630 124.547 119.914 0.004 0.000 2.769 6 V HA 0.611 4.731 4.120 0.001 0.000 0.312 6 V C -0.088 176.000 176.094 -0.011 0.000 1.061 6 V CA -0.839 61.461 62.300 -0.000 0.000 0.931 6 V CB 2.361 34.185 31.823 0.002 0.000 1.010 6 V HN 0.487 nan 8.190 nan 0.000 0.433 7 I N 4.130 124.688 120.570 -0.020 0.000 2.260 7 I HA 0.320 4.490 4.170 0.001 0.000 0.297 7 I C 1.724 177.818 176.117 -0.038 0.000 1.143 7 I CA 0.179 61.459 61.300 -0.033 0.000 1.271 7 I CB 0.907 38.878 38.000 -0.048 0.000 1.461 7 I HN 0.915 nan 8.210 nan 0.000 0.530 8 A N 4.684 127.491 122.820 -0.022 0.000 1.978 8 A HA -0.084 4.237 4.320 0.001 0.000 0.220 8 A C 1.151 178.725 177.584 -0.017 0.000 1.170 8 A CA 1.727 53.755 52.037 -0.015 0.000 0.636 8 A CB -0.179 18.819 19.000 -0.004 0.000 0.810 8 A HN 0.728 nan 8.150 nan 0.000 0.448 9 S N -4.124 111.566 115.700 -0.016 0.000 2.655 9 S HA 0.706 5.176 4.470 0.001 0.000 0.266 9 S C -0.827 173.787 174.600 0.022 0.000 1.149 9 S CA -0.021 58.182 58.200 0.006 0.000 0.818 9 S CB 0.725 63.954 63.200 0.048 0.000 1.130 9 S HN 1.895 nan 8.310 nan 0.000 0.476 10 A N -0.076 122.810 122.820 0.110 0.000 2.605 10 A HA 0.993 5.314 4.320 0.001 0.000 0.294 10 A C -0.838 176.916 177.584 0.283 0.000 1.062 10 A CA -0.348 51.784 52.037 0.159 0.000 0.682 10 A CB 0.665 19.729 19.000 0.107 0.000 1.278 10 A HN 2.451 nan 8.150 nan 0.000 0.410 11 A N 0.843 123.774 122.820 0.185 0.000 2.589 11 A HA 0.889 5.209 4.320 0.001 0.000 0.296 11 A C -0.646 176.986 177.584 0.081 0.000 1.062 11 A CA -0.129 51.985 52.037 0.128 0.000 0.686 11 A CB 1.272 20.319 19.000 0.079 0.000 1.282 11 A HN 1.975 nan 8.150 nan 0.000 0.404 12 R N -0.066 120.464 120.500 0.051 0.000 2.808 12 R HA 0.811 5.152 4.340 0.001 0.000 0.272 12 R C -0.226 176.083 176.300 0.016 0.000 0.995 12 R CA -0.006 56.109 56.100 0.025 0.000 0.917 12 R CB 1.345 31.663 30.300 0.030 0.000 1.217 12 R HN 0.841 nan 8.270 nan 0.000 0.471 13 T N -0.456 114.101 114.554 0.004 0.000 2.828 13 T HA 0.525 4.876 4.350 0.001 0.000 0.290 13 T C 0.826 175.560 174.700 0.057 0.000 1.019 13 T CA -0.369 61.755 62.100 0.039 0.000 1.031 13 T CB 0.992 69.838 68.868 -0.036 0.000 1.001 13 T HN 0.789 nan 8.240 nan 0.000 0.531 14 A N 1.101 123.988 122.820 0.110 0.000 2.492 14 A HA 0.469 4.789 4.320 0.001 0.000 0.236 14 A C 0.287 177.925 177.584 0.090 0.000 1.078 14 A CA -0.603 51.468 52.037 0.056 0.000 0.773 14 A CB -0.223 18.812 19.000 0.058 0.000 1.023 14 A HN 0.842 nan 8.150 nan 0.000 0.504 15 V N 1.765 121.677 119.914 -0.004 0.000 2.407 15 V HA 0.535 4.655 4.120 0.001 0.000 0.278 15 V C 1.038 177.108 176.094 -0.040 0.000 1.037 15 V CA 0.170 62.475 62.300 0.009 0.000 0.900 15 V CB 1.068 32.869 31.823 -0.036 0.000 0.983 15 V HN 1.133 nan 8.190 nan 0.000 0.459 16 G N 3.187 111.959 108.800 -0.048 0.000 2.412 16 G HA2 0.497 4.458 3.960 0.001 0.000 0.318 16 G HA3 0.497 4.458 3.960 0.001 0.000 0.318 16 G C -0.057 174.786 174.900 -0.095 0.000 1.146 16 G CA -0.356 44.619 45.100 -0.209 0.000 0.882 16 G HN 0.659 nan 8.290 nan 0.000 0.501 17 S N -0.048 115.612 115.700 -0.066 0.000 2.600 17 S HA 0.231 4.702 4.470 0.001 0.000 0.265 17 S C -0.130 174.506 174.600 0.060 0.000 1.325 17 S CA -0.386 57.817 58.200 0.005 0.000 1.002 17 S CB 0.758 64.032 63.200 0.124 0.000 0.921 17 S HN 0.422 nan 8.310 nan 0.000 0.554 18 F N 3.280 123.174 119.950 -0.093 0.000 2.571 18 F HA 0.055 4.582 4.527 0.001 0.000 0.384 18 F C 1.059 176.851 175.800 -0.014 0.000 1.058 18 F CA -0.434 57.535 58.000 -0.052 0.000 1.200 18 F CB -0.999 37.978 39.000 -0.038 0.000 1.077 18 F HN 0.608 nan 8.300 nan 0.000 0.558 19 N N 2.871 121.360 118.700 -0.351 0.000 2.725 19 N HA -0.199 4.541 4.740 0.001 0.000 0.249 19 N C 0.475 175.900 175.510 -0.142 0.000 1.103 19 N CA 0.899 53.753 53.050 -0.326 0.000 0.707 19 N CB -1.269 36.927 38.487 -0.485 0.000 1.043 19 N HN 0.809 nan 8.380 nan 0.000 0.553 20 G N -0.029 108.720 108.800 -0.084 0.000 3.434 20 G HA2 0.540 4.500 3.960 0.001 0.000 0.192 20 G HA3 0.540 4.500 3.960 0.001 0.000 0.192 20 G C 1.108 175.945 174.900 -0.105 0.000 1.704 20 G CA 0.501 45.554 45.100 -0.079 0.000 0.936 20 G HN 0.288 nan 8.290 nan 0.000 0.623 21 A N -0.881 121.810 122.820 -0.215 0.000 2.070 21 A HA 0.192 4.512 4.320 0.001 0.000 0.220 21 A C 1.471 178.961 177.584 -0.157 0.000 1.159 21 A CA 1.203 53.076 52.037 -0.273 0.000 0.656 21 A CB -0.376 18.327 19.000 -0.494 0.000 0.800 21 A HN 0.308 nan 8.150 nan 0.000 0.453 22 F N -1.255 118.671 119.950 -0.041 0.000 2.654 22 F HA 0.460 4.987 4.527 0.000 0.000 0.303 22 F C 2.052 177.815 175.800 -0.060 0.000 1.099 22 F CA -0.877 57.079 58.000 -0.074 0.000 1.270 22 F CB -0.893 38.011 39.000 -0.160 0.000 1.024 22 F HN 0.209 nan 8.300 nan 0.000 0.548 23 A N 0.858 123.729 122.820 0.085 0.000 1.954 23 A HA -0.270 4.051 4.320 0.001 0.000 0.222 23 A C 1.796 179.394 177.584 0.023 0.000 1.199 23 A CA 2.339 54.380 52.037 0.007 0.000 0.657 23 A CB -0.527 18.451 19.000 -0.037 0.000 0.823 23 A HN 0.411 nan 8.150 nan 0.000 0.463 24 N N -0.673 118.060 118.700 0.056 0.000 2.282 24 N HA 0.082 4.822 4.740 0.001 0.000 0.240 24 N C -0.888 174.656 175.510 0.057 0.000 1.182 24 N CA 0.177 53.256 53.050 0.048 0.000 0.874 24 N CB 0.735 39.248 38.487 0.044 0.000 1.126 24 N HN 0.318 nan 8.380 nan 0.000 0.516 25 T N 2.487 117.072 114.554 0.053 0.000 2.743 25 T HA 0.333 4.684 4.350 0.001 0.000 0.292 25 T C -2.520 172.130 174.700 -0.083 0.000 0.972 25 T CA -1.423 60.666 62.100 -0.019 0.000 0.967 25 T CB 1.893 70.680 68.868 -0.136 0.000 0.926 25 T HN -0.017 nan 8.240 nan 0.000 0.459 26 P HA 0.249 nan 4.420 nan 0.000 0.271 26 P C 0.737 177.964 177.300 -0.122 0.000 1.218 26 P CA -0.359 62.728 63.100 -0.022 0.000 0.780 26 P CB 0.528 32.294 31.700 0.110 0.000 0.901 27 A N 3.351 126.150 122.820 -0.035 0.000 1.873 27 A HA -0.270 4.050 4.320 0.001 0.000 0.218 27 A C 1.998 179.525 177.584 -0.096 0.000 1.193 27 A CA 2.111 54.099 52.037 -0.082 0.000 0.629 27 A CB -2.056 16.931 19.000 -0.022 0.000 0.826 27 A HN 0.814 nan 8.150 nan 0.000 0.447 28 H N -0.486 118.545 119.070 -0.065 0.000 2.460 28 H HA -0.118 4.438 4.556 0.001 0.000 0.297 28 H C 1.524 176.835 175.328 -0.030 0.000 1.103 28 H CA 1.614 57.635 56.048 -0.045 0.000 1.292 28 H CB -0.546 29.201 29.762 -0.025 0.000 1.376 28 H HN 0.681 nan 8.280 nan 0.000 0.531 29 E N 0.870 120.698 120.200 -0.619 0.000 2.046 29 E HA -0.037 4.313 4.350 0.001 0.000 0.190 29 E C 2.697 179.258 176.600 -0.065 0.000 0.982 29 E CA 0.932 57.134 56.400 -0.329 0.000 0.800 29 E CB 0.069 29.615 29.700 -0.256 0.000 0.756 29 E HN 0.417 nan 8.360 nan 0.000 0.449 30 L N 0.425 121.479 121.223 -0.281 0.000 2.079 30 L HA -0.115 4.225 4.340 0.001 0.000 0.210 30 L C 2.554 179.334 176.870 -0.150 0.000 1.081 30 L CA 1.196 55.803 54.840 -0.387 0.000 0.752 30 L CB -0.685 40.978 42.059 -0.660 0.000 0.896 30 L HN 0.216 nan 8.230 nan 0.000 0.433 31 G N -0.395 108.332 108.800 -0.121 0.000 2.408 31 G HA2 -0.155 3.806 3.960 0.001 0.000 0.217 31 G HA3 -0.155 3.806 3.960 0.001 0.000 0.217 31 G C 1.794 176.680 174.900 -0.022 0.000 1.150 31 G CA 0.752 45.815 45.100 -0.062 0.000 0.776 31 G HN 0.450 nan 8.290 nan 0.000 0.542 32 A N 0.559 123.375 122.820 -0.007 0.000 1.855 32 A HA -0.017 4.304 4.320 0.001 0.000 0.215 32 A C 2.515 180.110 177.584 0.019 0.000 1.191 32 A CA 2.434 54.478 52.037 0.012 0.000 0.613 32 A CB -1.125 17.884 19.000 0.013 0.000 0.829 32 A HN 0.260 nan 8.150 nan 0.000 0.442 33 T N -0.482 114.101 114.554 0.049 0.000 2.737 33 T HA -0.151 4.200 4.350 0.001 0.000 0.269 33 T C 1.790 176.515 174.700 0.043 0.000 1.040 33 T CA 1.666 63.803 62.100 0.062 0.000 1.142 33 T CB -0.392 68.585 68.868 0.182 0.000 0.861 33 T HN 0.126 nan 8.240 nan 0.000 0.456 34 V N 0.684 120.615 119.914 0.028 0.000 2.453 34 V HA -0.019 4.101 4.120 0.001 0.000 0.247 34 V C 2.246 178.346 176.094 0.011 0.000 1.048 34 V CA 1.094 63.404 62.300 0.015 0.000 1.049 34 V CB -0.368 31.451 31.823 -0.007 0.000 0.672 34 V HN 0.496 nan 8.190 nan 0.000 0.457 35 I N -0.610 119.962 120.570 0.003 0.000 2.202 35 I HA -0.189 3.982 4.170 0.001 0.000 0.242 35 I C 2.572 178.693 176.117 0.007 0.000 1.091 35 I CA 1.359 62.659 61.300 -0.000 0.000 1.368 35 I CB -0.461 37.535 38.000 -0.006 0.000 1.058 35 I HN 0.240 nan 8.210 nan 0.000 0.410 36 S N 1.011 116.717 115.700 0.009 0.000 2.372 36 S HA -0.276 4.194 4.470 0.001 0.000 0.227 36 S C 2.252 176.860 174.600 0.014 0.000 1.044 36 S CA 1.711 59.916 58.200 0.009 0.000 1.050 36 S CB -0.484 62.719 63.200 0.005 0.000 0.901 36 S HN 0.571 nan 8.310 nan 0.000 0.447 37 A N 1.442 124.274 122.820 0.020 0.000 1.877 37 A HA -0.073 4.247 4.320 0.001 0.000 0.216 37 A C 2.495 180.102 177.584 0.037 0.000 1.186 37 A CA 1.856 53.910 52.037 0.028 0.000 0.620 37 A CB -1.196 17.824 19.000 0.034 0.000 0.822 37 A HN 0.586 nan 8.150 nan 0.000 0.443 38 V N -2.164 117.772 119.914 0.037 0.000 2.332 38 V HA -0.209 3.911 4.120 0.001 0.000 0.248 38 V C 2.197 178.309 176.094 0.030 0.000 1.055 38 V CA 1.931 64.255 62.300 0.041 0.000 1.038 38 V CB -1.084 30.758 31.823 0.031 0.000 0.651 38 V HN 0.257 nan 8.190 nan 0.000 0.450 39 L N 0.851 122.086 121.223 0.020 0.000 2.012 39 L HA -0.124 4.217 4.340 0.001 0.000 0.210 39 L C 2.820 179.701 176.870 0.019 0.000 1.073 39 L CA 2.376 57.225 54.840 0.016 0.000 0.748 39 L CB -1.587 40.478 42.059 0.011 0.000 0.891 39 L HN 0.607 nan 8.230 nan 0.000 0.431 40 E N 0.285 120.498 120.200 0.021 0.000 2.051 40 E HA -0.223 4.127 4.350 0.001 0.000 0.192 40 E C 2.243 178.861 176.600 0.030 0.000 0.991 40 E CA 1.247 57.659 56.400 0.022 0.000 0.799 40 E CB 0.030 29.741 29.700 0.019 0.000 0.748 40 E HN 0.452 nan 8.360 nan 0.000 0.449 41 R N -0.270 120.255 120.500 0.042 0.000 2.189 41 R HA 0.039 4.380 4.340 0.001 0.000 0.218 41 R C 2.125 178.455 176.300 0.049 0.000 1.074 41 R CA 0.843 56.977 56.100 0.057 0.000 0.991 41 R CB -0.045 30.310 30.300 0.091 0.000 0.883 41 R HN 0.129 nan 8.270 nan 0.000 0.457 42 A N 0.161 123.003 122.820 0.037 0.000 2.147 42 A HA 0.244 4.564 4.320 0.001 0.000 0.211 42 A C 1.355 178.952 177.584 0.021 0.000 1.160 42 A CA 0.598 52.651 52.037 0.026 0.000 0.781 42 A CB 0.145 19.157 19.000 0.020 0.000 0.842 42 A HN 0.358 nan 8.150 nan 0.000 0.475 43 G N -0.726 108.086 108.800 0.021 0.000 2.225 43 G HA2 -0.141 3.820 3.960 0.001 0.000 0.264 43 G HA3 -0.141 3.820 3.960 0.001 0.000 0.264 43 G C -0.066 174.842 174.900 0.013 0.000 1.060 43 G CA 0.301 45.410 45.100 0.016 0.000 0.833 43 G HN 0.848 nan 8.290 nan 0.000 0.498 44 V N 0.144 120.065 119.914 0.013 0.000 2.513 44 V HA 0.822 4.942 4.120 0.001 0.000 0.299 44 V C 0.823 176.923 176.094 0.009 0.000 1.035 44 V CA -0.435 61.871 62.300 0.010 0.000 0.889 44 V CB 1.751 33.580 31.823 0.009 0.000 0.988 44 V HN 1.129 nan 8.190 nan 0.000 0.440 45 A N 3.248 126.073 122.820 0.008 0.000 2.371 45 A HA 0.644 4.965 4.320 0.001 0.000 0.257 45 A C 1.491 179.079 177.584 0.007 0.000 1.089 45 A CA 0.331 52.372 52.037 0.007 0.000 0.794 45 A CB 0.641 19.645 19.000 0.007 0.000 1.029 45 A HN 1.386 nan 8.150 nan 0.000 0.488 46 A N 2.210 125.034 122.820 0.007 0.000 1.986 46 A HA 0.008 4.328 4.320 0.001 0.000 0.220 46 A C 2.017 179.606 177.584 0.008 0.000 1.171 46 A CA 2.140 54.181 52.037 0.007 0.000 0.640 46 A CB -0.972 18.032 19.000 0.007 0.000 0.811 46 A HN 1.495 nan 8.150 nan 0.000 0.451 47 G N -0.847 107.958 108.800 0.008 0.000 2.776 47 G HA2 0.036 3.997 3.960 0.001 0.000 0.209 47 G HA3 0.036 3.997 3.960 0.001 0.000 0.209 47 G C 1.053 175.959 174.900 0.009 0.000 1.145 47 G CA 0.694 45.798 45.100 0.008 0.000 0.791 47 G HN 0.729 nan 8.290 nan 0.000 0.530 48 E N -0.259 119.946 120.200 0.009 0.000 2.460 48 E HA 0.107 4.457 4.350 0.001 0.000 0.200 48 E C 0.114 176.720 176.600 0.010 0.000 1.011 48 E CA -0.310 56.095 56.400 0.009 0.000 0.912 48 E CB 0.882 30.587 29.700 0.008 0.000 0.953 48 E HN 0.162 nan 8.360 nan 0.000 0.494 49 V N 3.144 123.064 119.914 0.009 0.000 2.458 49 V HA -0.071 4.050 4.120 0.001 0.000 0.287 49 V C 0.918 177.021 176.094 0.015 0.000 1.009 49 V CA 0.534 62.840 62.300 0.009 0.000 1.091 49 V CB 0.256 32.082 31.823 0.005 0.000 0.960 49 V HN 0.226 nan 8.190 nan 0.000 0.476 50 N N 3.329 122.040 118.700 0.018 0.000 2.171 50 N HA -0.002 4.738 4.740 0.001 0.000 0.184 50 N C 0.539 176.074 175.510 0.041 0.000 1.021 50 N CA 0.787 53.853 53.050 0.028 0.000 0.854 50 N CB 0.350 38.855 38.487 0.030 0.000 0.994 50 N HN 0.819 nan 8.380 nan 0.000 0.426 51 E N -0.393 119.828 120.200 0.036 0.000 2.363 51 E HA 0.288 4.638 4.350 0.001 0.000 0.281 51 E C -1.903 174.692 176.600 -0.008 0.000 0.953 51 E CA -0.453 55.977 56.400 0.049 0.000 0.778 51 E CB 1.905 31.673 29.700 0.114 0.000 1.220 51 E HN -0.266 nan 8.360 nan 0.000 0.431 52 V N 5.057 124.949 119.914 -0.037 0.000 2.370 52 V HA 0.464 4.584 4.120 0.001 0.000 0.283 52 V C -0.203 175.725 176.094 -0.276 0.000 1.023 52 V CA -0.441 61.791 62.300 -0.113 0.000 0.857 52 V CB 1.165 32.943 31.823 -0.075 0.000 0.985 52 V HN 0.519 nan 8.190 nan 0.000 0.443 53 I N 6.559 126.904 120.570 -0.376 0.000 2.411 53 I HA 0.488 4.658 4.170 0.001 0.000 0.284 53 I C -0.791 175.046 176.117 -0.468 0.000 1.012 53 I CA -0.327 60.557 61.300 -0.693 0.000 1.119 53 I CB 1.506 39.023 38.000 -0.806 0.000 1.261 53 I HN 0.329 nan 8.210 nan 0.000 0.448 54 L N 5.220 126.190 121.223 -0.421 0.000 2.362 54 L HA 0.611 4.951 4.340 0.001 0.000 0.275 54 L C 0.574 177.318 176.870 -0.211 0.000 0.998 54 L CA -0.644 54.047 54.840 -0.248 0.000 0.820 54 L CB 2.124 44.087 42.059 -0.160 0.000 1.270 54 L HN 0.648 nan 8.230 nan 0.000 0.415 55 G N 1.931 110.634 108.800 -0.162 0.000 2.403 55 G HA2 0.447 4.407 3.960 0.001 0.000 0.259 55 G HA3 0.447 4.407 3.960 0.001 0.000 0.259 55 G C -0.920 173.931 174.900 -0.083 0.000 1.244 55 G CA -0.024 45.008 45.100 -0.113 0.000 0.849 55 G HN 0.602 nan 8.290 nan 0.000 0.532 56 Q N 1.442 121.209 119.800 -0.056 0.000 2.364 56 Q HA 0.269 4.610 4.340 0.001 0.000 0.257 56 Q C -0.483 175.501 176.000 -0.026 0.000 0.956 56 Q CA -0.703 55.074 55.803 -0.043 0.000 0.924 56 Q CB 2.084 30.801 28.738 -0.035 0.000 1.413 56 Q HN 0.319 nan 8.270 nan 0.000 0.418 57 V N 3.574 123.470 119.914 -0.031 0.000 2.949 57 V HA 0.120 4.240 4.120 0.001 0.000 0.245 57 V C 0.593 176.676 176.094 -0.018 0.000 1.086 57 V CA 0.643 62.929 62.300 -0.022 0.000 1.097 57 V CB 0.334 32.138 31.823 -0.031 0.000 0.762 57 V HN 0.647 nan 8.190 nan 0.000 0.470 58 L N 2.592 123.804 121.223 -0.019 0.000 2.599 58 L HA 0.335 4.676 4.340 0.001 0.000 0.241 58 L C -1.767 175.102 176.870 -0.002 0.000 1.207 58 L CA -0.829 54.005 54.840 -0.011 0.000 0.987 58 L CB 1.152 43.205 42.059 -0.011 0.000 1.318 58 L HN 0.163 nan 8.230 nan 0.000 0.458 59 P HA 0.028 nan 4.420 nan 0.000 0.251 59 P C 0.737 178.043 177.300 0.009 0.000 1.223 59 P CA 0.081 63.185 63.100 0.006 0.000 0.796 59 P CB 0.446 32.148 31.700 0.004 0.000 1.068 60 A N 0.985 123.811 122.820 0.009 0.000 2.581 60 A HA 0.284 4.604 4.320 0.001 0.000 0.257 60 A C 1.594 179.190 177.584 0.021 0.000 1.022 60 A CA 1.094 53.139 52.037 0.014 0.000 0.812 60 A CB -1.523 17.485 19.000 0.014 0.000 0.918 60 A HN 0.452 nan 8.150 nan 0.000 0.516 61 G N 1.678 110.490 108.800 0.019 0.000 2.195 61 G HA2 -0.280 3.680 3.960 0.001 0.000 0.246 61 G HA3 -0.280 3.680 3.960 0.001 0.000 0.246 61 G C 0.715 175.624 174.900 0.015 0.000 0.984 61 G CA 0.782 45.895 45.100 0.022 0.000 0.633 61 G HN 0.933 nan 8.290 nan 0.000 0.525 62 E N 0.486 120.690 120.200 0.007 0.000 2.478 62 E HA 0.425 4.775 4.350 0.001 0.000 0.194 62 E C 1.347 177.915 176.600 -0.054 0.000 1.045 62 E CA 1.098 57.494 56.400 -0.007 0.000 0.868 62 E CB -0.113 29.591 29.700 0.007 0.000 0.885 62 E HN 1.772 nan 8.360 nan 0.000 0.505 63 G N 0.778 109.555 108.800 -0.038 0.000 2.712 63 G HA2 -0.261 3.700 3.960 0.001 0.000 0.683 63 G HA3 -0.261 3.700 3.960 0.001 0.000 0.683 63 G C -0.852 174.018 174.900 -0.049 0.000 1.320 63 G CA -0.506 44.565 45.100 -0.049 0.000 0.847 63 G HN 0.260 nan 8.290 nan 0.000 0.553 64 Q N 0.047 119.823 119.800 -0.040 0.000 2.310 64 Q HA 0.097 4.438 4.340 0.001 0.000 0.315 64 Q C 1.135 177.116 176.000 -0.032 0.000 1.081 64 Q CA 0.855 56.643 55.803 -0.026 0.000 0.981 64 Q CB 0.161 28.888 28.738 -0.019 0.000 1.184 64 Q HN 0.911 nan 8.270 nan 0.000 0.389 65 N N 3.221 121.916 118.700 -0.007 0.000 2.777 65 N HA -0.182 4.558 4.740 0.001 0.000 0.301 65 N C -2.306 173.192 175.510 -0.020 0.000 1.107 65 N CA -0.040 53.015 53.050 0.007 0.000 0.790 65 N CB 0.019 38.525 38.487 0.033 0.000 0.980 65 N HN 0.381 nan 8.380 nan 0.000 0.584 66 P HA -0.139 nan 4.420 nan 0.000 0.218 66 P C 1.092 178.388 177.300 -0.008 0.000 1.148 66 P CA 1.965 65.036 63.100 -0.048 0.000 0.822 66 P CB -0.002 31.691 31.700 -0.012 0.000 0.784 67 A N 0.101 122.916 122.820 -0.007 0.000 1.883 67 A HA -0.249 4.071 4.320 0.001 0.000 0.217 67 A C 2.418 179.999 177.584 -0.004 0.000 1.186 67 A CA 2.175 54.199 52.037 -0.021 0.000 0.624 67 A CB -1.217 17.750 19.000 -0.055 0.000 0.822 67 A HN 0.028 nan 8.150 nan 0.000 0.444 68 R N -0.052 120.454 120.500 0.009 0.000 2.120 68 R HA -0.125 4.216 4.340 0.001 0.000 0.234 68 R C 2.183 178.487 176.300 0.006 0.000 1.123 68 R CA 1.991 58.100 56.100 0.014 0.000 0.975 68 R CB -0.515 29.798 30.300 0.021 0.000 0.866 68 R HN 0.724 nan 8.270 nan 0.000 0.446 69 Q N -0.814 118.978 119.800 -0.013 0.000 2.046 69 Q HA -0.044 4.296 4.340 0.001 0.000 0.200 69 Q C 2.150 178.207 176.000 0.095 0.000 0.975 69 Q CA 1.593 57.386 55.803 -0.017 0.000 0.836 69 Q CB -0.200 28.406 28.738 -0.220 0.000 0.896 69 Q HN 0.460 nan 8.270 nan 0.000 0.428 70 A N 1.242 124.129 122.820 0.111 0.000 1.877 70 A HA -0.160 4.161 4.320 0.001 0.000 0.216 70 A C 2.317 179.930 177.584 0.049 0.000 1.186 70 A CA 1.693 53.788 52.037 0.098 0.000 0.620 70 A CB -0.911 18.122 19.000 0.055 0.000 0.822 70 A HN 0.404 nan 8.150 nan 0.000 0.443 71 A N -0.719 122.117 122.820 0.026 0.000 1.883 71 A HA -0.165 4.155 4.320 0.001 0.000 0.217 71 A C 2.235 179.832 177.584 0.021 0.000 1.186 71 A CA 2.052 54.097 52.037 0.014 0.000 0.624 71 A CB -0.507 18.497 19.000 0.007 0.000 0.822 71 A HN 0.464 nan 8.150 nan 0.000 0.444 72 M N -0.943 118.673 119.600 0.027 0.000 2.254 72 M HA -0.069 4.411 4.480 0.001 0.000 0.265 72 M C 2.138 178.457 176.300 0.030 0.000 1.066 72 M CA 1.527 56.842 55.300 0.025 0.000 1.123 72 M CB -0.762 31.852 32.600 0.022 0.000 1.388 72 M HN 0.508 nan 8.290 nan 0.000 0.425 73 K N 0.427 120.855 120.400 0.047 0.000 2.217 73 K HA -0.000 4.320 4.320 0.001 0.000 0.202 73 K C 1.644 178.259 176.600 0.025 0.000 1.051 73 K CA 1.031 57.347 56.287 0.047 0.000 0.952 73 K CB 0.121 32.670 32.500 0.081 0.000 0.736 73 K HN 0.225 nan 8.250 nan 0.000 0.453 74 A N -0.119 122.714 122.820 0.023 0.000 2.238 74 A HA 0.181 4.502 4.320 0.001 0.000 0.208 74 A C 1.355 178.944 177.584 0.009 0.000 1.177 74 A CA 0.986 53.030 52.037 0.012 0.000 0.804 74 A CB -0.268 18.739 19.000 0.010 0.000 0.823 74 A HN 0.534 nan 8.150 nan 0.000 0.482 75 G N -1.687 107.119 108.800 0.011 0.000 2.254 75 G HA2 -0.230 3.730 3.960 0.001 0.000 0.225 75 G HA3 -0.230 3.730 3.960 0.001 0.000 0.225 75 G C 0.329 175.235 174.900 0.009 0.000 1.003 75 G CA -0.087 45.019 45.100 0.009 0.000 0.622 75 G HN 0.837 nan 8.290 nan 0.000 0.507 76 V N 3.544 123.464 119.914 0.010 0.000 2.681 76 V HA 0.243 4.364 4.120 0.001 0.000 0.306 76 V C -1.046 175.055 176.094 0.012 0.000 1.077 76 V CA 0.218 62.524 62.300 0.010 0.000 1.224 76 V CB 0.481 32.309 31.823 0.009 0.000 0.879 76 V HN 0.318 nan 8.190 nan 0.000 0.494 77 P HA 0.159 nan 4.420 nan 0.000 0.274 77 P C 0.574 177.882 177.300 0.014 0.000 1.237 77 P CA -0.527 62.580 63.100 0.012 0.000 0.793 77 P CB 0.370 32.076 31.700 0.011 0.000 0.977 78 Q N 0.142 119.949 119.800 0.013 0.000 2.449 78 Q HA -0.225 4.115 4.340 0.001 0.000 0.214 78 Q C 0.829 176.838 176.000 0.016 0.000 0.986 78 Q CA 1.636 57.447 55.803 0.014 0.000 0.893 78 Q CB -0.537 28.208 28.738 0.011 0.000 0.940 78 Q HN 0.405 nan 8.270 nan 0.000 0.477 79 E N 1.257 121.466 120.200 0.015 0.000 2.170 79 E HA 0.122 4.472 4.350 0.001 0.000 0.191 79 E C 0.725 177.338 176.600 0.021 0.000 0.981 79 E CA 0.675 57.085 56.400 0.016 0.000 0.830 79 E CB -0.035 29.672 29.700 0.013 0.000 0.775 79 E HN 0.510 nan 8.360 nan 0.000 0.470 80 A N 0.574 123.408 122.820 0.023 0.000 2.339 80 A HA 0.318 4.639 4.320 0.001 0.000 0.272 80 A C 0.736 178.345 177.584 0.042 0.000 1.182 80 A CA 0.551 52.607 52.037 0.030 0.000 0.819 80 A CB -0.149 18.867 19.000 0.026 0.000 1.115 80 A HN 0.245 nan 8.150 nan 0.000 0.512 81 T N -3.737 110.854 114.554 0.062 0.000 2.888 81 T HA 0.821 5.171 4.350 0.001 0.000 0.288 81 T C -0.543 174.227 174.700 0.116 0.000 1.063 81 T CA -0.133 62.023 62.100 0.093 0.000 1.010 81 T CB 1.680 70.618 68.868 0.116 0.000 1.214 81 T HN 2.215 nan 8.240 nan 0.000 0.533 82 A N 0.747 123.668 122.820 0.170 0.000 2.604 82 A HA 0.798 5.118 4.320 0.001 0.000 0.295 82 A C -1.793 175.972 177.584 0.302 0.000 1.067 82 A CA -1.042 51.081 52.037 0.144 0.000 0.683 82 A CB 1.323 20.354 19.000 0.050 0.000 1.281 82 A HN 1.311 nan 8.150 nan 0.000 0.407 83 W N 0.445 121.736 121.300 -0.015 0.000 2.989 83 W HA 0.710 5.370 4.660 0.000 0.000 0.344 83 W C -0.427 176.081 176.519 -0.018 0.000 1.233 83 W CA -0.738 56.597 57.345 -0.017 0.000 1.187 83 W CB 0.838 30.288 29.460 -0.017 0.000 1.443 83 W HN 1.383 nan 8.180 nan 0.000 0.573 84 G N 1.088 109.994 108.800 0.176 0.000 2.473 84 G HA2 0.816 4.777 3.960 0.001 0.000 0.321 84 G HA3 0.816 4.777 3.960 0.001 0.000 0.321 84 G C -1.269 173.721 174.900 0.150 0.000 1.200 84 G CA -1.059 44.050 45.100 0.014 0.000 0.963 84 G HN 0.597 nan 8.290 nan 0.000 0.483 85 M N -0.229 119.384 119.600 0.023 0.000 2.575 85 M HA 0.671 5.151 4.480 0.001 0.000 0.284 85 M C -1.346 174.976 176.300 0.037 0.000 1.253 85 M CA -1.295 54.070 55.300 0.108 0.000 0.861 85 M CB 2.308 35.007 32.600 0.165 0.000 1.733 85 M HN 0.352 nan 8.290 nan 0.000 0.462 86 N N 0.947 119.682 118.700 0.058 0.000 2.549 86 N HA 0.348 5.088 4.740 0.001 0.000 0.281 86 N C -1.835 173.704 175.510 0.048 0.000 1.084 86 N CA -0.127 52.943 53.050 0.035 0.000 0.862 86 N CB 1.662 40.166 38.487 0.028 0.000 1.333 86 N HN 0.918 nan 8.380 nan 0.000 0.523 87 Q N 5.731 125.557 119.800 0.042 0.000 2.470 87 Q HA 0.325 4.665 4.340 0.001 0.000 0.389 87 Q C 0.167 176.200 176.000 0.055 0.000 0.888 87 Q CA -0.402 55.437 55.803 0.060 0.000 1.106 87 Q CB -0.002 28.780 28.738 0.073 0.000 1.368 87 Q HN 0.761 nan 8.270 nan 0.000 0.403 88 L N -1.751 119.496 121.223 0.040 0.000 6.593 88 L HA -0.500 3.840 4.340 0.001 0.000 0.053 88 L C 1.279 178.166 176.870 0.027 0.000 1.816 88 L CA 1.351 56.212 54.840 0.034 0.000 1.701 88 L CB -1.463 40.631 42.059 0.059 0.000 2.696 88 L HN 0.503 nan 8.230 nan 0.000 1.037 89 C N 0.348 119.683 119.300 0.058 0.000 2.413 89 C HA -0.059 4.401 4.460 0.001 0.000 0.292 89 C C 2.223 177.255 174.990 0.070 0.000 1.435 89 C CA 0.745 59.803 59.018 0.067 0.000 1.791 89 C CB -1.859 26.017 27.740 0.227 0.000 1.784 89 C HN 0.832 nan 8.230 nan 0.000 0.548 90 G N -0.245 108.597 108.800 0.071 0.000 2.880 90 G HA2 -0.004 3.956 3.960 0.001 0.000 0.209 90 G HA3 -0.004 3.956 3.960 0.001 0.000 0.209 90 G C 1.614 176.535 174.900 0.034 0.000 1.157 90 G CA 0.579 45.722 45.100 0.072 0.000 0.779 90 G HN 0.504 nan 8.290 nan 0.000 0.539 91 S N 0.875 116.581 115.700 0.009 0.000 2.359 91 S HA -0.136 4.335 4.470 0.001 0.000 0.223 91 S C 2.566 177.136 174.600 -0.051 0.000 1.039 91 S CA 1.519 59.705 58.200 -0.022 0.000 1.042 91 S CB -0.584 62.596 63.200 -0.034 0.000 0.915 91 S HN 0.511 nan 8.310 nan 0.000 0.439 92 G N 1.126 109.898 108.800 -0.047 0.000 2.440 92 G HA2 -0.193 3.767 3.960 0.001 0.000 0.218 92 G HA3 -0.193 3.767 3.960 0.001 0.000 0.218 92 G C 1.386 176.255 174.900 -0.052 0.000 1.154 92 G CA 1.031 46.097 45.100 -0.056 0.000 0.767 92 G HN 0.406 nan 8.290 nan 0.000 0.552 93 L N 0.215 121.423 121.223 -0.025 0.000 2.095 93 L HA 0.252 4.592 4.340 0.001 0.000 0.204 93 L C 2.713 179.537 176.870 -0.077 0.000 1.080 93 L CA 1.539 56.366 54.840 -0.023 0.000 0.759 93 L CB -0.587 41.492 42.059 0.032 0.000 0.914 93 L HN 0.164 nan 8.230 nan 0.000 0.439 94 R N 0.340 120.796 120.500 -0.074 0.000 2.103 94 R HA -0.129 4.212 4.340 0.001 0.000 0.242 94 R C 2.131 178.299 176.300 -0.220 0.000 1.142 94 R CA 1.781 57.792 56.100 -0.149 0.000 0.960 94 R CB -0.988 29.274 30.300 -0.064 0.000 0.858 94 R HN 0.452 nan 8.270 nan 0.000 0.439 95 A N -0.364 122.349 122.820 -0.178 0.000 1.940 95 A HA -0.126 4.194 4.320 0.001 0.000 0.219 95 A C 2.322 179.774 177.584 -0.220 0.000 1.176 95 A CA 1.869 53.770 52.037 -0.226 0.000 0.631 95 A CB -0.707 18.149 19.000 -0.240 0.000 0.814 95 A HN 0.193 nan 8.150 nan 0.000 0.446 96 V N -0.211 119.593 119.914 -0.184 0.000 2.343 96 V HA -0.250 3.870 4.120 0.001 0.000 0.247 96 V C 3.021 178.982 176.094 -0.222 0.000 1.051 96 V CA 1.948 64.150 62.300 -0.162 0.000 1.036 96 V CB -1.377 30.379 31.823 -0.112 0.000 0.654 96 V HN 0.615 nan 8.190 nan 0.000 0.451 97 A N -0.114 122.498 122.820 -0.347 0.000 1.902 97 A HA -0.124 4.197 4.320 0.001 0.000 0.217 97 A C 2.228 179.495 177.584 -0.528 0.000 1.181 97 A CA 1.732 53.394 52.037 -0.625 0.000 0.623 97 A CB -0.517 17.753 19.000 -1.217 0.000 0.818 97 A HN 0.510 nan 8.150 nan 0.000 0.443 98 L N -0.788 120.209 121.223 -0.376 0.000 2.056 98 L HA -0.090 4.251 4.340 0.001 0.000 0.207 98 L C 2.840 179.664 176.870 -0.077 0.000 1.078 98 L CA 1.055 55.794 54.840 -0.169 0.000 0.749 98 L CB -0.804 41.238 42.059 -0.029 0.000 0.901 98 L HN 0.476 nan 8.230 nan 0.000 0.433 99 G N -0.314 108.419 108.800 -0.112 0.000 2.418 99 G HA2 -0.295 3.665 3.960 0.001 0.000 0.217 99 G HA3 -0.295 3.665 3.960 0.001 0.000 0.217 99 G C 1.616 176.484 174.900 -0.054 0.000 1.158 99 G CA 0.663 45.721 45.100 -0.069 0.000 0.771 99 G HN 0.188 nan 8.290 nan 0.000 0.545 100 M N 0.467 120.013 119.600 -0.090 0.000 2.149 100 M HA -0.101 4.379 4.480 0.001 0.000 0.261 100 M C 2.397 178.680 176.300 -0.028 0.000 1.064 100 M CA 1.661 56.925 55.300 -0.060 0.000 1.102 100 M CB -0.642 31.908 32.600 -0.082 0.000 1.369 100 M HN 0.341 nan 8.290 nan 0.000 0.408 101 Q N -0.403 119.374 119.800 -0.038 0.000 2.119 101 Q HA -0.178 4.162 4.340 0.001 0.000 0.201 101 Q C 2.047 178.064 176.000 0.028 0.000 0.972 101 Q CA 1.228 57.037 55.803 0.011 0.000 0.847 101 Q CB -0.071 28.678 28.738 0.018 0.000 0.903 101 Q HN 0.546 nan 8.270 nan 0.000 0.433 102 Q N 0.468 120.287 119.800 0.031 0.000 2.061 102 Q HA -0.156 4.184 4.340 0.001 0.000 0.204 102 Q C 2.063 178.082 176.000 0.032 0.000 0.984 102 Q CA 1.420 57.251 55.803 0.046 0.000 0.846 102 Q CB -0.283 28.496 28.738 0.068 0.000 0.902 102 Q HN 0.465 nan 8.270 nan 0.000 0.421 103 I N 0.358 120.941 120.570 0.022 0.000 2.406 103 I HA -0.151 4.019 4.170 0.001 0.000 0.249 103 I C 2.285 178.414 176.117 0.020 0.000 1.122 103 I CA 0.855 62.166 61.300 0.018 0.000 1.431 103 I CB -0.404 37.603 38.000 0.011 0.000 1.087 103 I HN 0.029 nan 8.210 nan 0.000 0.424 104 A N 0.743 123.577 122.820 0.023 0.000 1.972 104 A HA -0.213 4.107 4.320 0.001 0.000 0.219 104 A C 2.405 180.007 177.584 0.030 0.000 1.169 104 A CA 2.287 54.341 52.037 0.029 0.000 0.635 104 A CB -1.123 17.900 19.000 0.040 0.000 0.810 104 A HN 0.510 nan 8.150 nan 0.000 0.446 105 T N -4.445 110.128 114.554 0.031 0.000 3.113 105 T HA 0.371 4.721 4.350 0.001 0.000 0.256 105 T C 1.338 176.051 174.700 0.021 0.000 1.131 105 T CA 1.148 63.264 62.100 0.028 0.000 1.074 105 T CB -0.111 68.775 68.868 0.029 0.000 0.944 105 T HN 1.750 nan 8.240 nan 0.000 0.516 106 G N 1.108 109.921 108.800 0.021 0.000 2.136 106 G HA2 -0.202 3.758 3.960 0.001 0.000 0.242 106 G HA3 -0.202 3.758 3.960 0.001 0.000 0.242 106 G C 0.405 175.315 174.900 0.017 0.000 0.989 106 G CA 0.253 45.363 45.100 0.017 0.000 0.682 106 G HN 0.518 nan 8.290 nan 0.000 0.522 107 D N 0.036 120.449 120.400 0.021 0.000 2.305 107 D HA 0.446 5.086 4.640 0.001 0.000 0.206 107 D C 1.438 177.753 176.300 0.026 0.000 0.974 107 D CA 1.458 55.470 54.000 0.021 0.000 0.871 107 D CB 0.487 41.301 40.800 0.023 0.000 0.947 107 D HN 0.964 nan 8.370 nan 0.000 0.516 108 A N -0.806 122.031 122.820 0.028 0.000 2.566 108 A HA 0.574 4.894 4.320 0.001 0.000 0.292 108 A C 0.480 178.077 177.584 0.020 0.000 1.112 108 A CA -0.406 51.647 52.037 0.027 0.000 0.707 108 A CB 1.493 20.516 19.000 0.038 0.000 1.302 108 A HN -0.083 nan 8.150 nan 0.000 0.409 109 S N -0.511 115.199 115.700 0.017 0.000 2.545 109 S HA 0.384 4.855 4.470 0.001 0.000 0.232 109 S C 0.195 174.801 174.600 0.010 0.000 1.070 109 S CA 0.583 58.791 58.200 0.013 0.000 0.923 109 S CB 0.059 63.266 63.200 0.012 0.000 0.806 109 S HN 0.535 nan 8.310 nan 0.000 0.506 110 I N 2.688 123.265 120.570 0.010 0.000 2.534 110 I HA 0.367 4.538 4.170 0.001 0.000 0.286 110 I C -1.552 174.567 176.117 0.003 0.000 1.094 110 I CA -0.432 60.871 61.300 0.005 0.000 1.055 110 I CB 1.994 39.997 38.000 0.005 0.000 1.225 110 I HN 0.056 nan 8.210 nan 0.000 0.435 111 I N 6.364 126.930 120.570 -0.007 0.000 2.603 111 I HA 0.496 4.666 4.170 0.001 0.000 0.300 111 I C -0.204 175.893 176.117 -0.033 0.000 1.017 111 I CA -1.032 60.257 61.300 -0.020 0.000 1.098 111 I CB 2.127 40.110 38.000 -0.028 0.000 1.279 111 I HN 0.087 nan 8.210 nan 0.000 0.437 112 V N 4.097 123.983 119.914 -0.046 0.000 2.384 112 V HA 0.780 4.900 4.120 0.001 0.000 0.287 112 V C 0.190 176.228 176.094 -0.092 0.000 1.020 112 V CA -0.367 61.901 62.300 -0.054 0.000 0.850 112 V CB 1.398 33.196 31.823 -0.040 0.000 0.987 112 V HN 0.944 nan 8.190 nan 0.000 0.436 113 A N 3.632 126.395 122.820 -0.095 0.000 2.498 113 A HA 1.066 5.386 4.320 0.001 0.000 0.298 113 A C 0.147 177.664 177.584 -0.111 0.000 1.075 113 A CA 0.087 52.042 52.037 -0.136 0.000 0.714 113 A CB 2.156 21.061 19.000 -0.157 0.000 1.299 113 A HN 1.539 nan 8.150 nan 0.000 0.407 114 G N -0.832 107.888 108.800 -0.133 0.000 2.491 114 G HA2 0.622 4.582 3.960 0.001 0.000 0.183 114 G HA3 0.622 4.582 3.960 0.001 0.000 0.183 114 G C -0.146 174.685 174.900 -0.115 0.000 1.221 114 G CA 0.382 45.422 45.100 -0.101 0.000 0.996 114 G HN 2.170 nan 8.290 nan 0.000 0.474 115 G N -0.789 107.956 108.800 -0.092 0.000 2.649 115 G HA2 0.794 4.755 3.960 0.001 0.000 0.290 115 G HA3 0.794 4.755 3.960 0.001 0.000 0.290 115 G C -0.768 174.079 174.900 -0.088 0.000 1.426 115 G CA 0.119 45.161 45.100 -0.096 0.000 0.794 115 G HN 1.663 nan 8.290 nan 0.000 0.483 116 M N -0.559 118.988 119.600 -0.088 0.000 2.371 116 M HA 0.863 5.343 4.480 0.001 0.000 0.287 116 M C -1.970 174.279 176.300 -0.085 0.000 1.149 116 M CA -0.891 54.353 55.300 -0.094 0.000 0.929 116 M CB 2.735 35.281 32.600 -0.091 0.000 1.683 116 M HN 0.442 nan 8.290 nan 0.000 0.470 117 E N 1.178 121.322 120.200 -0.094 0.000 2.290 117 E HA 0.530 4.880 4.350 0.001 0.000 0.274 117 E C -1.827 174.735 176.600 -0.063 0.000 0.889 117 E CA -0.181 56.174 56.400 -0.075 0.000 0.760 117 E CB 2.519 32.166 29.700 -0.089 0.000 1.206 117 E HN 0.697 nan 8.360 nan 0.000 0.419 118 S N 5.084 120.764 115.700 -0.034 0.000 2.516 118 S HA 0.284 4.754 4.470 0.001 0.000 0.268 118 S C 0.606 175.233 174.600 0.045 0.000 1.251 118 S CA -0.389 57.811 58.200 -0.001 0.000 1.153 118 S CB 0.077 63.269 63.200 -0.013 0.000 1.009 118 S HN 0.704 nan 8.310 nan 0.000 0.479 119 M N 2.000 121.649 119.600 0.081 0.000 2.419 119 M HA -0.002 4.478 4.480 0.001 0.000 0.264 119 M C 2.124 178.617 176.300 0.322 0.000 1.082 119 M CA 0.746 56.130 55.300 0.141 0.000 1.119 119 M CB -0.286 32.354 32.600 0.066 0.000 1.398 119 M HN 0.508 nan 8.290 nan 0.000 0.453 120 S N 0.484 116.347 115.700 0.271 0.000 2.368 120 S HA -0.011 4.459 4.470 0.001 0.000 0.224 120 S C 1.798 176.433 174.600 0.058 0.000 1.029 120 S CA 1.093 59.355 58.200 0.105 0.000 0.988 120 S CB -0.046 63.147 63.200 -0.013 0.000 0.838 120 S HN 0.396 nan 8.310 nan 0.000 0.462 121 M N 1.112 120.750 119.600 0.064 0.000 2.562 121 M HA 0.265 4.745 4.480 0.001 0.000 0.257 121 M C 0.889 177.224 176.300 0.059 0.000 1.099 121 M CA -0.214 55.116 55.300 0.050 0.000 1.099 121 M CB -1.612 31.012 32.600 0.041 0.000 1.427 121 M HN 0.147 nan 8.290 nan 0.000 0.489 122 A N 3.603 126.465 122.820 0.070 0.000 2.548 122 A HA 0.321 4.641 4.320 0.001 0.000 0.247 122 A C -1.957 175.652 177.584 0.041 0.000 1.067 122 A CA -0.609 51.456 52.037 0.047 0.000 0.757 122 A CB -0.789 18.234 19.000 0.038 0.000 0.996 122 A HN 0.172 nan 8.150 nan 0.000 0.504 123 P HA 0.442 nan 4.420 nan 0.000 0.285 123 P C -0.953 176.354 177.300 0.012 0.000 1.285 123 P CA -0.521 62.623 63.100 0.074 0.000 0.854 123 P CB 0.813 32.560 31.700 0.079 0.000 1.180 124 H N -0.908 118.196 119.070 0.056 0.000 2.525 124 H HA 0.426 4.982 4.556 0.001 0.000 0.339 124 H C 0.453 175.821 175.328 0.066 0.000 1.109 124 H CA 0.209 56.294 56.048 0.060 0.000 1.352 124 H CB 0.266 30.061 29.762 0.056 0.000 1.461 124 H HN 0.615 nan 8.280 nan 0.000 0.533 125 C N 0.864 120.264 119.300 0.167 0.000 3.154 125 C HA 0.994 5.455 4.460 0.001 0.000 0.312 125 C C -0.764 174.324 174.990 0.164 0.000 1.349 125 C CA -0.653 58.448 59.018 0.138 0.000 1.518 125 C CB 0.837 28.630 27.740 0.089 0.000 1.934 125 C HN 1.021 nan 8.230 nan 0.000 0.462 126 A N 0.453 123.366 122.820 0.155 0.000 2.540 126 A HA 0.626 4.946 4.320 0.001 0.000 0.297 126 A C -1.179 176.465 177.584 0.099 0.000 1.056 126 A CA -0.228 51.908 52.037 0.165 0.000 0.700 126 A CB 0.618 19.789 19.000 0.285 0.000 1.280 126 A HN 1.335 nan 8.150 nan 0.000 0.398 127 H N 3.028 122.088 119.070 -0.016 0.000 2.742 127 H HA 0.512 5.069 4.556 0.001 0.000 0.302 127 H C -0.704 174.552 175.328 -0.120 0.000 1.069 127 H CA 0.164 56.182 56.048 -0.051 0.000 1.446 127 H CB 0.689 30.429 29.762 -0.038 0.000 1.462 127 H HN 0.545 nan 8.280 nan 0.000 0.499 128 L N 5.064 125.976 121.223 -0.519 0.000 3.259 128 L HA 0.207 4.547 4.340 0.001 0.000 0.292 128 L C 2.227 178.841 176.870 -0.426 0.000 1.219 128 L CA -0.152 54.404 54.840 -0.472 0.000 1.035 128 L CB 0.294 42.172 42.059 -0.302 0.000 1.424 128 L HN 0.552 nan 8.230 nan 0.000 0.603 129 R N 0.518 120.700 120.500 -0.529 0.000 2.096 129 R HA -0.061 4.279 4.340 0.001 0.000 0.235 129 R C 2.190 178.369 176.300 -0.202 0.000 1.127 129 R CA 1.514 57.460 56.100 -0.257 0.000 0.968 129 R CB -0.415 29.824 30.300 -0.101 0.000 0.861 129 R HN 0.382 nan 8.270 nan 0.000 0.440 130 G N 0.342 108.990 108.800 -0.254 0.000 2.534 130 G HA2 0.140 4.100 3.960 0.001 0.000 0.217 130 G HA3 0.140 4.100 3.960 0.001 0.000 0.217 130 G C 0.539 175.355 174.900 -0.141 0.000 1.128 130 G CA 0.465 45.481 45.100 -0.139 0.000 0.784 130 G HN 0.607 nan 8.290 nan 0.000 0.542 131 G N -1.646 107.032 108.800 -0.203 0.000 2.731 131 G HA2 0.017 3.978 3.960 0.001 0.000 0.686 131 G HA3 0.017 3.978 3.960 0.001 0.000 0.686 131 G C -0.589 174.202 174.900 -0.181 0.000 1.395 131 G CA -0.450 44.543 45.100 -0.179 0.000 0.870 131 G HN 0.863 nan 8.290 nan 0.000 0.591 132 V N 2.744 122.546 119.914 -0.187 0.000 2.333 132 V HA 0.371 4.492 4.120 0.001 0.000 0.274 132 V C 1.624 177.691 176.094 -0.046 0.000 1.028 132 V CA 0.341 62.559 62.300 -0.137 0.000 0.851 132 V CB 1.275 32.985 31.823 -0.188 0.000 1.000 132 V HN 0.992 nan 8.190 nan 0.000 0.456 133 K N 4.221 124.604 120.400 -0.027 0.000 2.097 133 K HA 0.101 4.421 4.320 0.001 0.000 0.205 133 K C 0.525 177.132 176.600 0.013 0.000 1.050 133 K CA 1.213 57.495 56.287 -0.008 0.000 0.938 133 K CB 0.224 32.719 32.500 -0.007 0.000 0.718 133 K HN 0.667 nan 8.250 nan 0.000 0.442 134 M N -1.042 118.575 119.600 0.028 0.000 2.415 134 M HA 0.280 4.760 4.480 0.001 0.000 0.292 134 M C -1.599 174.738 176.300 0.061 0.000 1.107 134 M CA 0.199 55.523 55.300 0.041 0.000 0.927 134 M CB 1.948 34.564 32.600 0.027 0.000 1.808 134 M HN 0.305 nan 8.290 nan 0.000 0.509 135 G N 2.711 111.554 108.800 0.071 0.000 2.612 135 G HA2 -0.040 3.921 3.960 0.001 0.000 0.686 135 G HA3 -0.040 3.921 3.960 0.001 0.000 0.686 135 G C -1.818 173.154 174.900 0.120 0.000 1.274 135 G CA -0.660 44.487 45.100 0.078 0.000 0.849 135 G HN 0.774 nan 8.290 nan 0.000 0.595 136 D N -0.027 120.422 120.400 0.081 0.000 2.341 136 D HA 0.618 5.259 4.640 0.001 0.000 0.245 136 D C 0.571 176.958 176.300 0.144 0.000 1.106 136 D CA 0.701 54.728 54.000 0.045 0.000 0.905 136 D CB 0.766 41.556 40.800 -0.018 0.000 1.202 136 D HN 0.642 nan 8.370 nan 0.000 0.426 137 F N -1.771 118.188 119.950 0.014 0.000 2.640 137 F HA 0.623 5.150 4.527 -0.000 0.000 0.324 137 F C -0.339 175.477 175.800 0.027 0.000 1.077 137 F CA -1.372 56.640 58.000 0.020 0.000 0.965 137 F CB 1.254 40.265 39.000 0.018 0.000 1.351 137 F HN -0.125 nan 8.300 nan 0.000 0.487 138 K N 1.862 122.382 120.400 0.200 0.000 2.185 138 K HA 0.434 4.755 4.320 0.001 0.000 0.269 138 K C -0.809 175.900 176.600 0.182 0.000 0.987 138 K CA -0.808 55.534 56.287 0.092 0.000 0.865 138 K CB 1.330 33.896 32.500 0.109 0.000 1.090 138 K HN 0.535 nan 8.250 nan 0.000 0.450 139 M N 4.601 124.253 119.600 0.086 0.000 2.077 139 M HA 0.230 4.710 4.480 0.001 0.000 0.348 139 M C -0.424 176.006 176.300 0.217 0.000 1.252 139 M CA -0.647 54.756 55.300 0.172 0.000 1.096 139 M CB 0.392 33.054 32.600 0.104 0.000 1.568 139 M HN 0.374 nan 8.290 nan 0.000 0.456 140 I N 2.852 123.535 120.570 0.188 0.000 2.496 140 I HA 0.051 4.222 4.170 0.001 0.000 0.285 140 I C 0.673 176.818 176.117 0.047 0.000 1.080 140 I CA -0.307 61.068 61.300 0.124 0.000 1.404 140 I CB 0.202 38.249 38.000 0.079 0.000 1.403 140 I HN 0.495 nan 8.210 nan 0.000 0.539 141 D N 5.295 125.658 120.400 -0.060 0.000 2.374 141 D HA 0.002 4.642 4.640 0.001 0.000 0.240 141 D C 1.426 177.613 176.300 -0.188 0.000 1.229 141 D CA -0.069 53.691 54.000 -0.400 0.000 0.895 141 D CB 0.908 41.515 40.800 -0.321 0.000 1.046 141 D HN 0.705 nan 8.370 nan 0.000 0.498 142 T N 1.274 115.732 114.554 -0.161 0.000 2.897 142 T HA -0.240 4.110 4.350 0.001 0.000 0.271 142 T C 1.868 176.528 174.700 -0.068 0.000 1.084 142 T CA 0.838 62.892 62.100 -0.077 0.000 1.123 142 T CB -0.179 68.661 68.868 -0.045 0.000 0.865 142 T HN 0.484 nan 8.240 nan 0.000 0.496 143 M N 0.123 119.676 119.600 -0.079 0.000 2.156 143 M HA 0.036 4.516 4.480 0.001 0.000 0.264 143 M C 1.740 178.003 176.300 -0.062 0.000 1.067 143 M CA 1.508 56.776 55.300 -0.053 0.000 1.131 143 M CB -0.102 32.483 32.600 -0.025 0.000 1.368 143 M HN 0.165 nan 8.290 nan 0.000 0.416 144 I N 0.536 121.071 120.570 -0.058 0.000 2.439 144 I HA -0.174 3.996 4.170 0.001 0.000 0.251 144 I C 2.245 178.319 176.117 -0.071 0.000 1.139 144 I CA 1.230 62.495 61.300 -0.057 0.000 1.438 144 I CB -1.236 36.765 38.000 0.002 0.000 1.085 144 I HN 0.305 nan 8.210 nan 0.000 0.427 145 K N 1.352 121.719 120.400 -0.055 0.000 2.098 145 K HA -0.065 4.255 4.320 0.001 0.000 0.203 145 K C 1.331 177.896 176.600 -0.060 0.000 1.051 145 K CA 1.414 57.672 56.287 -0.049 0.000 0.957 145 K CB -0.024 32.457 32.500 -0.032 0.000 0.738 145 K HN 0.078 nan 8.250 nan 0.000 0.447 146 D N -1.339 119.028 120.400 -0.054 0.000 2.367 146 D HA 0.137 4.778 4.640 0.001 0.000 0.207 146 D C 1.235 177.507 176.300 -0.046 0.000 1.034 146 D CA 0.892 54.862 54.000 -0.050 0.000 0.861 146 D CB 0.885 41.663 40.800 -0.037 0.000 0.943 146 D HN 0.421 nan 8.370 nan 0.000 0.515 147 G N -0.481 108.287 108.800 -0.054 0.000 2.707 147 G HA2 0.127 4.087 3.960 0.001 0.000 0.198 147 G HA3 0.127 4.087 3.960 0.001 0.000 0.198 147 G C 1.209 176.078 174.900 -0.053 0.000 1.065 147 G CA -0.094 44.979 45.100 -0.044 0.000 0.763 147 G HN 0.156 nan 8.290 nan 0.000 0.625 148 L N 0.922 122.078 121.223 -0.112 0.000 2.781 148 L HA 0.272 4.613 4.340 0.001 0.000 0.245 148 L C 0.212 176.910 176.870 -0.287 0.000 1.118 148 L CA 0.327 55.030 54.840 -0.228 0.000 0.918 148 L CB 0.918 42.738 42.059 -0.399 0.000 1.246 148 L HN -0.035 nan 8.230 nan 0.000 0.526 149 T N 0.223 114.682 114.554 -0.159 0.000 2.767 149 T HA 0.147 4.497 4.350 0.001 0.000 0.284 149 T C -0.512 174.152 174.700 -0.060 0.000 0.973 149 T CA -0.291 61.751 62.100 -0.096 0.000 0.996 149 T CB 1.897 70.724 68.868 -0.069 0.000 0.927 149 T HN -0.029 nan 8.240 nan 0.000 0.456 150 D N 2.262 122.655 120.400 -0.011 0.000 2.371 150 D HA 0.354 4.994 4.640 0.001 0.000 0.256 150 D C 1.214 177.432 176.300 -0.137 0.000 1.193 150 D CA -0.247 53.747 54.000 -0.010 0.000 0.881 150 D CB 0.731 41.589 40.800 0.096 0.000 1.143 150 D HN 0.525 nan 8.370 nan 0.000 0.473 151 A N 3.512 126.136 122.820 -0.328 0.000 2.024 151 A HA -0.152 4.168 4.320 0.001 0.000 0.220 151 A C 1.475 178.728 177.584 -0.552 0.000 1.164 151 A CA 1.131 52.846 52.037 -0.537 0.000 0.643 151 A CB -0.580 17.929 19.000 -0.818 0.000 0.806 151 A HN 0.670 nan 8.150 nan 0.000 0.451 152 F N -3.213 116.699 119.950 -0.064 0.000 2.317 152 F HA 0.138 4.665 4.527 0.001 0.000 0.290 152 F C 1.804 177.399 175.800 -0.342 0.000 1.075 152 F CA 0.689 58.592 58.000 -0.162 0.000 1.380 152 F CB -0.400 38.543 39.000 -0.095 0.000 1.093 152 F HN 0.199 nan 8.300 nan 0.000 0.524 153 Y N -0.541 119.666 120.300 -0.155 0.000 2.442 153 Y HA 0.384 4.934 4.550 0.001 0.000 0.250 153 Y C 2.003 177.588 175.900 -0.525 0.000 1.113 153 Y CA 0.154 57.985 58.100 -0.448 0.000 1.273 153 Y CB 0.245 38.165 38.460 -0.900 0.000 1.138 153 Y HN 0.147 nan 8.280 nan 0.000 0.522 154 G N -0.088 108.574 108.800 -0.229 0.000 2.184 154 G HA2 -0.358 3.602 3.960 0.001 0.000 0.264 154 G HA3 -0.358 3.602 3.960 0.001 0.000 0.264 154 G C 0.051 174.943 174.900 -0.013 0.000 0.975 154 G CA 0.639 45.670 45.100 -0.116 0.000 0.642 154 G HN 0.410 nan 8.290 nan 0.000 0.536 155 Y N -0.558 119.812 120.300 0.116 0.000 2.496 155 Y HA 0.819 5.369 4.550 0.001 0.000 0.325 155 Y C 0.654 176.609 175.900 0.092 0.000 1.271 155 Y CA -2.781 55.385 58.100 0.109 0.000 1.368 155 Y CB 0.088 38.609 38.460 0.101 0.000 1.415 155 Y HN 0.221 nan 8.280 nan 0.000 0.527 156 H N 1.756 120.994 119.070 0.280 0.000 2.562 156 H HA 0.158 4.714 4.556 0.001 0.000 0.352 156 H C 1.166 176.449 175.328 -0.076 0.000 1.125 156 H CA -0.251 55.859 56.048 0.104 0.000 1.379 156 H CB 1.205 31.055 29.762 0.147 0.000 1.464 156 H HN 0.775 nan 8.280 nan 0.000 0.563 157 M N 3.345 123.076 119.600 0.218 0.000 2.146 157 M HA -0.170 4.311 4.480 0.001 0.000 0.256 157 M C 2.250 178.306 176.300 -0.406 0.000 1.075 157 M CA 1.695 57.054 55.300 0.098 0.000 1.082 157 M CB -1.619 31.160 32.600 0.299 0.000 1.355 157 M HN 0.809 nan 8.290 nan 0.000 0.402 158 G N -0.789 107.577 108.800 -0.723 0.000 2.450 158 G HA2 -0.222 3.738 3.960 0.001 0.000 0.220 158 G HA3 -0.222 3.738 3.960 0.001 0.000 0.220 158 G C 1.527 175.661 174.900 -1.276 0.000 1.130 158 G CA 1.590 45.539 45.100 -1.919 0.000 0.760 158 G HN 0.451 nan 8.290 nan 0.000 0.557 159 T N 0.688 114.742 114.554 -0.833 0.000 2.867 159 T HA -0.116 4.234 4.350 0.001 0.000 0.268 159 T C 2.782 177.121 174.700 -0.601 0.000 1.057 159 T CA 1.957 63.681 62.100 -0.627 0.000 1.136 159 T CB -0.402 68.025 68.868 -0.734 0.000 0.874 159 T HN 0.601 nan 8.240 nan 0.000 0.466 160 T N 0.536 114.812 114.554 -0.463 0.000 2.904 160 T HA 0.129 4.480 4.350 0.001 0.000 0.267 160 T C 2.220 176.711 174.700 -0.349 0.000 1.059 160 T CA 1.000 62.918 62.100 -0.303 0.000 1.137 160 T CB -0.389 68.405 68.868 -0.124 0.000 0.879 160 T HN 0.285 nan 8.240 nan 0.000 0.467 161 A N 2.081 124.560 122.820 -0.569 0.000 1.873 161 A HA -0.070 4.250 4.320 0.001 0.000 0.215 161 A C 2.424 179.814 177.584 -0.324 0.000 1.186 161 A CA 1.463 53.187 52.037 -0.521 0.000 0.616 161 A CB -0.671 17.763 19.000 -0.942 0.000 0.823 161 A HN 0.508 nan 8.150 nan 0.000 0.442 162 E N 0.554 120.548 120.200 -0.343 0.000 2.147 162 E HA -0.233 4.117 4.350 0.001 0.000 0.199 162 E C 1.714 178.215 176.600 -0.165 0.000 1.005 162 E CA 1.449 57.721 56.400 -0.212 0.000 0.810 162 E CB -0.473 29.098 29.700 -0.216 0.000 0.736 162 E HN 0.588 nan 8.360 nan 0.000 0.460 163 N N 0.439 119.018 118.700 -0.202 0.000 2.084 163 N HA -0.118 4.623 4.740 0.001 0.000 0.190 163 N C 2.040 177.521 175.510 -0.048 0.000 1.030 163 N CA 0.897 53.866 53.050 -0.134 0.000 0.849 163 N CB -0.515 37.878 38.487 -0.157 0.000 1.012 163 N HN 0.019 nan 8.380 nan 0.000 0.423 164 V N 1.486 121.378 119.914 -0.037 0.000 2.626 164 V HA -0.130 3.990 4.120 0.001 0.000 0.252 164 V C 2.307 178.471 176.094 0.116 0.000 1.067 164 V CA 1.494 63.846 62.300 0.086 0.000 1.081 164 V CB -0.886 30.938 31.823 0.001 0.000 0.686 164 V HN 0.285 nan 8.190 nan 0.000 0.468 165 A N 0.034 122.858 122.820 0.006 0.000 1.873 165 A HA -0.214 4.106 4.320 0.001 0.000 0.215 165 A C 2.313 179.926 177.584 0.048 0.000 1.186 165 A CA 1.864 53.912 52.037 0.018 0.000 0.616 165 A CB -0.344 18.637 19.000 -0.032 0.000 0.823 165 A HN 0.531 nan 8.150 nan 0.000 0.442 166 K N -0.934 119.474 120.400 0.012 0.000 2.103 166 K HA -0.095 4.226 4.320 0.001 0.000 0.204 166 K C 2.347 178.951 176.600 0.006 0.000 1.052 166 K CA 1.322 57.610 56.287 0.001 0.000 0.945 166 K CB -0.135 32.349 32.500 -0.027 0.000 0.722 166 K HN 0.566 nan 8.250 nan 0.000 0.443 167 Q N -0.743 119.069 119.800 0.020 0.000 2.119 167 Q HA -0.143 4.197 4.340 0.001 0.000 0.201 167 Q C 0.971 176.905 176.000 -0.111 0.000 0.972 167 Q CA 1.358 57.137 55.803 -0.041 0.000 0.847 167 Q CB 0.118 28.849 28.738 -0.011 0.000 0.903 167 Q HN 0.379 nan 8.270 nan 0.000 0.433 168 W N 0.071 121.339 121.300 -0.052 0.000 3.278 168 W HA 0.155 4.816 4.660 0.001 0.000 0.308 168 W C -0.020 176.477 176.519 -0.038 0.000 1.253 168 W CA -0.262 57.056 57.345 -0.045 0.000 1.759 168 W CB 0.867 30.296 29.460 -0.051 0.000 1.093 168 W HN 0.018 nan 8.180 nan 0.000 0.648 169 Q N 0.452 120.328 119.800 0.128 0.000 2.451 169 Q HA -0.197 4.143 4.340 0.001 0.000 0.305 169 Q C -0.591 175.463 176.000 0.089 0.000 1.345 169 Q CA 0.953 56.799 55.803 0.073 0.000 0.854 169 Q CB -2.228 26.531 28.738 0.035 0.000 1.162 169 Q HN 0.384 nan 8.270 nan 0.000 0.440 170 L N 0.957 122.237 121.223 0.095 0.000 2.261 170 L HA 0.261 4.601 4.340 0.001 0.000 0.289 170 L C 1.307 178.199 176.870 0.037 0.000 1.059 170 L CA -0.280 54.596 54.840 0.061 0.000 0.816 170 L CB 1.004 43.082 42.059 0.032 0.000 1.191 170 L HN 0.242 nan 8.230 nan 0.000 0.431 171 S N 2.682 118.404 115.700 0.036 0.000 2.617 171 S HA 0.138 4.608 4.470 0.001 0.000 0.259 171 S C 1.085 175.703 174.600 0.030 0.000 1.301 171 S CA -0.429 57.789 58.200 0.030 0.000 0.984 171 S CB 1.318 64.536 63.200 0.030 0.000 0.954 171 S HN 0.705 nan 8.310 nan 0.000 0.572 172 R N 0.813 121.330 120.500 0.029 0.000 2.070 172 R HA -0.083 4.258 4.340 0.001 0.000 0.233 172 R C 1.536 177.861 176.300 0.041 0.000 1.137 172 R CA 2.406 58.526 56.100 0.034 0.000 0.945 172 R CB -1.316 29.001 30.300 0.029 0.000 0.845 172 R HN 0.807 nan 8.270 nan 0.000 0.430 173 D N 0.266 120.689 120.400 0.038 0.000 2.178 173 D HA -0.184 4.456 4.640 0.001 0.000 0.201 173 D C 1.639 177.972 176.300 0.055 0.000 0.980 173 D CA 1.298 55.324 54.000 0.042 0.000 0.842 173 D CB -0.191 40.630 40.800 0.034 0.000 0.948 173 D HN 0.516 nan 8.370 nan 0.000 0.472 174 E N 0.750 120.982 120.200 0.054 0.000 2.070 174 E HA -0.231 4.119 4.350 0.001 0.000 0.197 174 E C 2.032 178.686 176.600 0.090 0.000 1.004 174 E CA 1.277 57.716 56.400 0.064 0.000 0.805 174 E CB 0.135 29.864 29.700 0.048 0.000 0.744 174 E HN 0.321 nan 8.360 nan 0.000 0.451 175 Q N -0.099 119.746 119.800 0.074 0.000 2.137 175 Q HA -0.123 4.217 4.340 0.001 0.000 0.198 175 Q C 1.823 177.916 176.000 0.155 0.000 0.960 175 Q CA 1.159 57.021 55.803 0.098 0.000 0.847 175 Q CB 0.094 28.864 28.738 0.054 0.000 0.915 175 Q HN 0.252 nan 8.270 nan 0.000 0.448 176 D N 1.055 121.518 120.400 0.105 0.000 2.092 176 D HA -0.173 4.467 4.640 0.001 0.000 0.193 176 D C 1.834 178.190 176.300 0.093 0.000 0.994 176 D CA 1.613 55.667 54.000 0.089 0.000 0.828 176 D CB -0.278 40.557 40.800 0.058 0.000 0.963 176 D HN 0.279 nan 8.370 nan 0.000 0.450 177 A N 0.011 122.887 122.820 0.093 0.000 1.933 177 A HA -0.170 4.151 4.320 0.001 0.000 0.218 177 A C 2.140 179.778 177.584 0.090 0.000 1.175 177 A CA 1.122 53.203 52.037 0.074 0.000 0.628 177 A CB -1.002 18.040 19.000 0.070 0.000 0.814 177 A HN 0.295 nan 8.150 nan 0.000 0.444 178 F N 0.981 120.936 119.950 0.009 0.000 2.102 178 F HA -0.085 4.442 4.527 0.001 0.000 0.298 178 F C 2.502 178.304 175.800 0.003 0.000 1.105 178 F CA 1.393 59.398 58.000 0.007 0.000 1.239 178 F CB -0.403 38.603 39.000 0.010 0.000 0.991 178 F HN 0.248 nan 8.300 nan 0.000 0.474 179 A N -0.023 122.906 122.820 0.181 0.000 1.902 179 A HA -0.125 4.195 4.320 0.001 0.000 0.217 179 A C 2.290 179.840 177.584 -0.057 0.000 1.181 179 A CA 1.957 54.033 52.037 0.065 0.000 0.623 179 A CB -1.421 17.650 19.000 0.117 0.000 0.818 179 A HN 0.287 nan 8.150 nan 0.000 0.443 180 V N 0.064 119.959 119.914 -0.033 0.000 2.252 180 V HA -0.325 3.795 4.120 0.001 0.000 0.249 180 V C 3.073 179.109 176.094 -0.096 0.000 1.056 180 V CA 2.202 64.471 62.300 -0.052 0.000 1.022 180 V CB -1.461 30.347 31.823 -0.025 0.000 0.641 180 V HN 0.640 nan 8.190 nan 0.000 0.445 181 A N -0.637 122.103 122.820 -0.133 0.000 1.865 181 A HA -0.294 4.026 4.320 0.001 0.000 0.217 181 A C 2.551 180.014 177.584 -0.203 0.000 1.191 181 A CA 2.554 54.491 52.037 -0.167 0.000 0.623 181 A CB -1.092 17.786 19.000 -0.204 0.000 0.826 181 A HN 0.489 nan 8.150 nan 0.000 0.444 182 S N -1.052 114.467 115.700 -0.302 0.000 2.369 182 S HA -0.283 4.187 4.470 0.001 0.000 0.225 182 S C 2.254 176.771 174.600 -0.138 0.000 1.043 182 S CA 1.911 59.961 58.200 -0.251 0.000 1.074 182 S CB -0.463 62.570 63.200 -0.278 0.000 0.962 182 S HN 0.603 nan 8.310 nan 0.000 0.433 183 Q N 0.880 120.606 119.800 -0.123 0.000 2.077 183 Q HA -0.146 4.194 4.340 0.001 0.000 0.206 183 Q C 2.069 178.004 176.000 -0.109 0.000 0.989 183 Q CA 1.871 57.608 55.803 -0.110 0.000 0.853 183 Q CB -0.925 27.750 28.738 -0.105 0.000 0.907 183 Q HN 0.736 nan 8.270 nan 0.000 0.418 184 N N 0.407 119.047 118.700 -0.100 0.000 2.120 184 N HA -0.132 4.609 4.740 0.001 0.000 0.188 184 N C 1.712 177.172 175.510 -0.083 0.000 1.024 184 N CA 0.742 53.740 53.050 -0.088 0.000 0.852 184 N CB -0.044 38.398 38.487 -0.074 0.000 1.003 184 N HN 0.191 nan 8.380 nan 0.000 0.424 185 K N 0.613 120.962 120.400 -0.085 0.000 2.217 185 K HA 0.022 4.342 4.320 0.001 0.000 0.202 185 K C 2.022 178.600 176.600 -0.036 0.000 1.051 185 K CA 0.736 56.980 56.287 -0.072 0.000 0.952 185 K CB 0.061 32.511 32.500 -0.083 0.000 0.736 185 K HN 0.158 nan 8.250 nan 0.000 0.453 186 A N 1.325 124.140 122.820 -0.008 0.000 1.898 186 A HA -0.162 4.158 4.320 0.001 0.000 0.214 186 A C 2.043 179.662 177.584 0.059 0.000 1.183 186 A CA 1.172 53.269 52.037 0.100 0.000 0.622 186 A CB -0.294 18.734 19.000 0.047 0.000 0.824 186 A HN 0.313 nan 8.150 nan 0.000 0.444 187 E N 0.064 120.209 120.200 -0.093 0.000 2.051 187 E HA -0.151 4.200 4.350 0.001 0.000 0.192 187 E C 2.139 178.687 176.600 -0.087 0.000 0.991 187 E CA 1.092 57.371 56.400 -0.201 0.000 0.799 187 E CB -0.231 29.301 29.700 -0.280 0.000 0.748 187 E HN 0.508 nan 8.360 nan 0.000 0.449 188 A N 1.118 123.895 122.820 -0.071 0.000 1.902 188 A HA -0.071 4.249 4.320 0.001 0.000 0.217 188 A C 2.358 179.888 177.584 -0.089 0.000 1.181 188 A CA 1.747 53.746 52.037 -0.063 0.000 0.623 188 A CB -0.648 18.312 19.000 -0.067 0.000 0.818 188 A HN 0.408 nan 8.150 nan 0.000 0.443 189 A N -0.797 121.944 122.820 -0.133 0.000 1.930 189 A HA -0.175 4.145 4.320 0.001 0.000 0.217 189 A C 2.188 179.594 177.584 -0.298 0.000 1.175 189 A CA 1.746 53.585 52.037 -0.330 0.000 0.627 189 A CB -0.517 18.126 19.000 -0.595 0.000 0.815 189 A HN 0.673 nan 8.150 nan 0.000 0.443 190 Q N -0.151 119.664 119.800 0.024 0.000 2.046 190 Q HA -0.178 4.163 4.340 0.001 0.000 0.200 190 Q C 1.979 178.035 176.000 0.094 0.000 0.975 190 Q CA 1.810 57.746 55.803 0.223 0.000 0.836 190 Q CB -0.134 28.765 28.738 0.269 0.000 0.896 190 Q HN 0.649 nan 8.270 nan 0.000 0.428 191 K N 0.167 120.600 120.400 0.055 0.000 2.026 191 K HA -0.133 4.188 4.320 0.001 0.000 0.208 191 K C 1.500 178.102 176.600 0.005 0.000 1.048 191 K CA 1.439 57.754 56.287 0.046 0.000 0.929 191 K CB 0.032 32.560 32.500 0.046 0.000 0.713 191 K HN 0.249 nan 8.250 nan 0.000 0.439 192 D N -0.659 119.720 120.400 -0.034 0.000 2.371 192 D HA -0.010 4.631 4.640 0.001 0.000 0.221 192 D C 0.966 177.228 176.300 -0.064 0.000 0.986 192 D CA 0.975 54.943 54.000 -0.054 0.000 0.899 192 D CB 0.263 41.015 40.800 -0.079 0.000 0.902 192 D HN 0.460 nan 8.370 nan 0.000 0.530 193 G N 0.911 109.676 108.800 -0.059 0.000 2.143 193 G HA2 -0.374 3.586 3.960 0.001 0.000 0.249 193 G HA3 -0.374 3.586 3.960 0.001 0.000 0.249 193 G C 1.084 175.927 174.900 -0.095 0.000 0.981 193 G CA 0.029 45.104 45.100 -0.043 0.000 0.665 193 G HN 0.349 nan 8.290 nan 0.000 0.528 194 R N -0.980 119.386 120.500 -0.224 0.000 2.339 194 R HA 0.181 4.522 4.340 0.001 0.000 0.199 194 R C 1.245 177.344 176.300 -0.336 0.000 1.018 194 R CA 0.768 56.685 56.100 -0.305 0.000 1.036 194 R CB -0.195 29.864 30.300 -0.402 0.000 0.899 194 R HN 0.439 nan 8.270 nan 0.000 0.473 195 F N -0.158 119.769 119.950 -0.037 0.000 2.720 195 F HA 0.158 4.685 4.527 0.001 0.000 0.301 195 F C 2.035 177.779 175.800 -0.095 0.000 1.103 195 F CA -0.200 57.767 58.000 -0.055 0.000 1.291 195 F CB 0.057 39.039 39.000 -0.030 0.000 1.086 195 F HN -0.164 nan 8.300 nan 0.000 0.592 196 K N 0.623 121.061 120.400 0.064 0.000 2.209 196 K HA -0.178 4.143 4.320 0.001 0.000 0.204 196 K C 1.266 177.809 176.600 -0.095 0.000 1.048 196 K CA 1.800 58.087 56.287 -0.000 0.000 0.940 196 K CB -0.024 32.473 32.500 -0.005 0.000 0.729 196 K HN 0.048 nan 8.250 nan 0.000 0.451 197 D N 0.990 121.280 120.400 -0.184 0.000 2.077 197 D HA -0.178 4.462 4.640 0.001 0.000 0.196 197 D C 1.787 177.652 176.300 -0.725 0.000 0.986 197 D CA 1.664 55.420 54.000 -0.406 0.000 0.829 197 D CB -0.208 40.328 40.800 -0.440 0.000 0.983 197 D HN 0.526 nan 8.370 nan 0.000 0.453 198 E N 0.431 120.132 120.200 -0.830 0.000 2.268 198 E HA -0.093 4.258 4.350 0.001 0.000 0.195 198 E C 0.588 177.040 176.600 -0.247 0.000 0.995 198 E CA 0.365 56.316 56.400 -0.748 0.000 0.836 198 E CB -0.046 29.507 29.700 -0.245 0.000 0.763 198 E HN 0.275 nan 8.360 nan 0.000 0.491 199 I N 2.567 123.046 120.570 -0.152 0.000 2.352 199 I HA 0.079 4.250 4.170 0.001 0.000 0.290 199 I C -0.302 175.796 176.117 -0.031 0.000 1.036 199 I CA -0.686 60.585 61.300 -0.049 0.000 1.336 199 I CB 1.704 39.701 38.000 -0.006 0.000 1.407 199 I HN -0.052 nan 8.210 nan 0.000 0.497 200 V N 9.504 129.422 119.914 0.008 0.000 2.370 200 V HA 0.450 4.570 4.120 0.001 0.000 0.279 200 V C -2.210 173.932 176.094 0.079 0.000 1.029 200 V CA -2.048 60.271 62.300 0.031 0.000 0.870 200 V CB 1.545 33.390 31.823 0.036 0.000 0.984 200 V HN 0.511 nan 8.190 nan 0.000 0.451 201 P HA 0.161 nan 4.420 nan 0.000 0.268 201 P C -1.255 176.137 177.300 0.152 0.000 1.204 201 P CA 0.274 63.437 63.100 0.106 0.000 0.768 201 P CB 0.176 31.907 31.700 0.052 0.000 0.842 202 F N 4.216 124.210 119.950 0.073 0.000 2.444 202 F HA 0.405 4.932 4.527 0.001 0.000 0.342 202 F C -0.417 175.433 175.800 0.082 0.000 1.121 202 F CA -1.061 56.975 58.000 0.060 0.000 0.997 202 F CB 0.771 39.815 39.000 0.072 0.000 1.130 202 F HN 0.082 nan 8.300 nan 0.000 0.454 203 I N 7.821 127.986 120.570 -0.675 0.000 2.281 203 I HA 0.134 4.305 4.170 0.001 0.000 0.293 203 I C -0.202 175.644 176.117 -0.452 0.000 1.085 203 I CA -0.627 60.430 61.300 -0.405 0.000 1.257 203 I CB 0.397 38.209 38.000 -0.313 0.000 1.430 203 I HN 0.239 nan 8.210 nan 0.000 0.489 204 V N 7.748 127.660 119.914 -0.004 0.000 2.364 204 V HA 0.039 4.160 4.120 0.001 0.000 0.252 204 V C 1.005 177.124 176.094 0.041 0.000 1.075 204 V CA -0.581 61.818 62.300 0.164 0.000 1.033 204 V CB -0.614 31.387 31.823 0.297 0.000 1.116 204 V HN 0.521 nan 8.190 nan 0.000 0.488 205 K N 4.322 124.715 120.400 -0.011 0.000 2.402 205 K HA 0.312 4.632 4.320 0.001 0.000 0.285 205 K C 0.503 177.114 176.600 0.018 0.000 1.054 205 K CA 0.164 56.442 56.287 -0.016 0.000 1.001 205 K CB 1.148 33.625 32.500 -0.037 0.000 0.946 205 K HN 0.751 nan 8.250 nan 0.000 0.473 206 G N 2.520 111.329 108.800 0.015 0.000 2.452 206 G HA2 0.188 4.149 3.960 0.001 0.000 0.324 206 G HA3 0.188 4.149 3.960 0.001 0.000 0.324 206 G C 1.018 175.924 174.900 0.010 0.000 1.214 206 G CA -0.770 44.342 45.100 0.020 0.000 0.947 206 G HN 0.512 nan 8.290 nan 0.000 0.478 207 R N 1.727 122.233 120.500 0.011 0.000 2.105 207 R HA -0.113 4.228 4.340 0.001 0.000 0.239 207 R C 0.698 177.001 176.300 0.004 0.000 1.135 207 R CA 1.039 57.143 56.100 0.006 0.000 0.967 207 R CB -0.391 29.913 30.300 0.007 0.000 0.861 207 R HN 0.521 nan 8.270 nan 0.000 0.442 208 K N 1.256 121.660 120.400 0.006 0.000 2.627 208 K HA 0.263 4.583 4.320 0.001 0.000 0.212 208 K C 0.155 176.756 176.600 0.003 0.000 1.041 208 K CA 0.449 56.739 56.287 0.003 0.000 1.205 208 K CB 0.404 32.906 32.500 0.004 0.000 0.936 208 K HN 0.479 nan 8.250 nan 0.000 0.489 209 G N 1.316 110.117 108.800 0.002 0.000 2.539 209 G HA2 -0.132 3.828 3.960 0.001 0.000 0.686 209 G HA3 -0.132 3.828 3.960 0.001 0.000 0.686 209 G C -1.641 173.260 174.900 0.002 0.000 1.258 209 G CA -1.082 44.018 45.100 -0.000 0.000 0.846 209 G HN 0.095 nan 8.290 nan 0.000 0.647 210 D N -0.361 120.036 120.400 -0.004 0.000 2.283 210 D HA 0.718 5.358 4.640 0.001 0.000 0.248 210 D C 0.654 176.955 176.300 0.003 0.000 1.072 210 D CA 0.238 54.234 54.000 -0.006 0.000 0.929 210 D CB 1.415 42.202 40.800 -0.023 0.000 1.182 210 D HN 0.520 nan 8.370 nan 0.000 0.433 211 I N 0.316 120.895 120.570 0.014 0.000 2.647 211 I HA 0.193 4.363 4.170 0.001 0.000 0.295 211 I C -0.359 175.783 176.117 0.041 0.000 1.078 211 I CA -0.695 60.622 61.300 0.028 0.000 1.048 211 I CB 2.384 40.410 38.000 0.043 0.000 1.239 211 I HN 0.036 nan 8.210 nan 0.000 0.421 212 T N 4.762 119.338 114.554 0.036 0.000 2.749 212 T HA 0.456 4.806 4.350 0.001 0.000 0.287 212 T C -0.250 174.499 174.700 0.081 0.000 0.970 212 T CA -0.504 61.627 62.100 0.052 0.000 0.980 212 T CB 1.384 70.267 68.868 0.025 0.000 0.924 212 T HN 0.184 nan 8.240 nan 0.000 0.456 213 V N 4.167 124.175 119.914 0.157 0.000 2.370 213 V HA 0.396 4.516 4.120 0.001 0.000 0.283 213 V C 0.114 176.303 176.094 0.157 0.000 1.023 213 V CA -0.678 61.703 62.300 0.136 0.000 0.857 213 V CB 1.303 33.209 31.823 0.138 0.000 0.985 213 V HN 1.060 nan 8.190 nan 0.000 0.443 214 D N 2.495 122.946 120.400 0.085 0.000 2.530 214 D HA 0.388 5.028 4.640 0.001 0.000 0.253 214 D C 0.113 176.441 176.300 0.048 0.000 1.338 214 D CA 0.205 54.251 54.000 0.077 0.000 0.806 214 D CB 0.737 41.572 40.800 0.058 0.000 1.160 214 D HN 0.594 nan 8.370 nan 0.000 0.514 215 A N 0.337 123.174 122.820 0.028 0.000 2.355 215 A HA 0.501 4.822 4.320 0.001 0.000 0.317 215 A C -0.827 176.744 177.584 -0.021 0.000 1.094 215 A CA -0.800 51.247 52.037 0.016 0.000 0.764 215 A CB 1.100 20.120 19.000 0.034 0.000 1.230 215 A HN 0.032 nan 8.150 nan 0.000 0.448 216 D N 2.290 122.658 120.400 -0.054 0.000 2.412 216 D HA 0.050 4.690 4.640 0.001 0.000 0.257 216 D C 0.928 177.221 176.300 -0.012 0.000 1.217 216 D CA 0.541 54.496 54.000 -0.075 0.000 0.897 216 D CB 0.961 41.652 40.800 -0.182 0.000 1.132 216 D HN 0.789 nan 8.370 nan 0.000 0.493 217 E N 1.742 121.938 120.200 -0.007 0.000 2.479 217 E HA -0.130 4.220 4.350 0.001 0.000 0.193 217 E C 1.012 177.678 176.600 0.109 0.000 1.049 217 E CA -0.041 56.376 56.400 0.029 0.000 0.870 217 E CB 0.003 29.685 29.700 -0.030 0.000 0.944 217 E HN 0.424 nan 8.360 nan 0.000 0.492 218 Y N 1.924 122.201 120.300 -0.038 0.000 2.365 218 Y HA 0.213 4.763 4.550 0.001 0.000 0.293 218 Y C 0.689 176.584 175.900 -0.009 0.000 1.119 218 Y CA -0.611 57.477 58.100 -0.019 0.000 1.203 218 Y CB 0.265 38.709 38.460 -0.026 0.000 1.026 218 Y HN -0.082 nan 8.280 nan 0.000 0.549 219 I N 4.453 124.995 120.570 -0.047 0.000 2.821 219 I HA -0.082 4.088 4.170 0.001 0.000 0.294 219 I C 0.275 176.314 176.117 -0.131 0.000 1.210 219 I CA 0.496 61.709 61.300 -0.144 0.000 1.430 219 I CB 0.145 38.070 38.000 -0.125 0.000 1.356 219 I HN 0.147 nan 8.210 nan 0.000 0.563 220 R N 5.007 125.398 120.500 -0.182 0.000 2.255 220 R HA 0.445 4.785 4.340 0.001 0.000 0.326 220 R C -0.956 175.307 176.300 -0.062 0.000 0.986 220 R CA -0.881 55.179 56.100 -0.067 0.000 0.847 220 R CB 0.642 30.877 30.300 -0.108 0.000 1.111 220 R HN 0.488 nan 8.270 nan 0.000 0.452 221 H N 1.361 120.399 119.070 -0.053 0.000 2.683 221 H HA 0.270 4.826 4.556 0.001 0.000 0.339 221 H C 1.184 176.491 175.328 -0.035 0.000 1.081 221 H CA 1.003 57.030 56.048 -0.035 0.000 1.432 221 H CB 1.267 31.015 29.762 -0.024 0.000 1.462 221 H HN 1.010 nan 8.280 nan 0.000 0.557 222 G N 1.350 110.185 108.800 0.059 0.000 2.182 222 G HA2 -0.180 3.780 3.960 0.001 0.000 0.248 222 G HA3 -0.180 3.780 3.960 0.001 0.000 0.248 222 G C 0.313 175.213 174.900 -0.001 0.000 1.042 222 G CA -0.090 45.026 45.100 0.027 0.000 0.775 222 G HN 0.922 nan 8.290 nan 0.000 0.501 223 A N 0.699 123.505 122.820 -0.024 0.000 2.515 223 A HA 0.622 4.942 4.320 0.001 0.000 0.263 223 A C 1.039 178.608 177.584 -0.024 0.000 1.096 223 A CA 1.242 53.259 52.037 -0.033 0.000 0.769 223 A CB 0.039 19.005 19.000 -0.057 0.000 1.040 223 A HN 1.890 nan 8.150 nan 0.000 0.505 224 T N 0.777 115.321 114.554 -0.016 0.000 2.925 224 T HA 0.429 4.779 4.350 0.001 0.000 0.285 224 T C 0.910 175.606 174.700 -0.007 0.000 1.021 224 T CA -0.678 61.416 62.100 -0.010 0.000 1.042 224 T CB 1.036 69.901 68.868 -0.005 0.000 1.037 224 T HN 0.463 nan 8.240 nan 0.000 0.481 225 L N 1.213 122.434 121.223 -0.003 0.000 2.079 225 L HA 0.012 4.352 4.340 0.001 0.000 0.210 225 L C 2.085 178.959 176.870 0.007 0.000 1.081 225 L CA 2.029 56.872 54.840 0.004 0.000 0.752 225 L CB -1.098 40.965 42.059 0.007 0.000 0.896 225 L HN 0.959 nan 8.230 nan 0.000 0.433 226 D N -1.063 119.340 120.400 0.004 0.000 2.078 226 D HA -0.195 4.445 4.640 0.001 0.000 0.193 226 D C 2.315 178.618 176.300 0.005 0.000 0.990 226 D CA 1.741 55.744 54.000 0.005 0.000 0.827 226 D CB -0.139 40.664 40.800 0.003 0.000 0.975 226 D HN 0.508 nan 8.370 nan 0.000 0.451 227 S N -0.663 115.038 115.700 0.002 0.000 2.419 227 S HA -0.216 4.255 4.470 0.001 0.000 0.233 227 S C 2.031 176.632 174.600 0.003 0.000 1.016 227 S CA 1.249 59.450 58.200 0.001 0.000 0.974 227 S CB -0.477 62.721 63.200 -0.003 0.000 0.786 227 S HN 0.257 nan 8.310 nan 0.000 0.492 228 M N 2.308 121.911 119.600 0.005 0.000 2.175 228 M HA 0.253 4.733 4.480 0.001 0.000 0.264 228 M C 1.918 178.228 176.300 0.018 0.000 1.063 228 M CA 1.449 56.756 55.300 0.012 0.000 1.119 228 M CB -0.637 31.971 32.600 0.015 0.000 1.377 228 M HN 0.423 nan 8.290 nan 0.000 0.415 229 A N -1.238 121.591 122.820 0.016 0.000 2.307 229 A HA 0.088 4.408 4.320 0.001 0.000 0.218 229 A C 1.653 179.244 177.584 0.013 0.000 1.228 229 A CA 0.255 52.303 52.037 0.017 0.000 0.857 229 A CB -0.545 18.465 19.000 0.017 0.000 0.897 229 A HN 0.529 nan 8.150 nan 0.000 0.495 230 K N -0.306 120.100 120.400 0.010 0.000 2.374 230 K HA 0.287 4.608 4.320 0.001 0.000 0.196 230 K C -0.250 176.353 176.600 0.006 0.000 1.023 230 K CA -0.018 56.273 56.287 0.007 0.000 1.103 230 K CB 0.151 32.654 32.500 0.005 0.000 0.848 230 K HN 0.441 nan 8.250 nan 0.000 0.528 231 L N 1.221 122.449 121.223 0.008 0.000 2.399 231 L HA 0.329 4.669 4.340 0.001 0.000 0.266 231 L C 0.372 177.244 176.870 0.003 0.000 1.114 231 L CA -0.804 54.039 54.840 0.005 0.000 0.804 231 L CB 0.754 42.818 42.059 0.009 0.000 1.146 231 L HN -0.054 nan 8.230 nan 0.000 0.451 232 R N 1.232 121.728 120.500 -0.006 0.000 2.500 232 R HA 0.388 4.729 4.340 0.001 0.000 0.277 232 R C -2.321 173.968 176.300 -0.019 0.000 1.026 232 R CA -1.721 54.373 56.100 -0.011 0.000 1.058 232 R CB 0.725 31.015 30.300 -0.017 0.000 1.078 232 R HN 0.330 nan 8.270 nan 0.000 0.509 233 P HA -0.037 nan 4.420 nan 0.000 0.265 233 P C -0.501 176.752 177.300 -0.080 0.000 1.193 233 P CA 0.382 63.475 63.100 -0.012 0.000 0.765 233 P CB 0.843 32.547 31.700 0.007 0.000 0.823 234 A N 1.877 124.609 122.820 -0.146 0.000 2.238 234 A HA 0.156 4.476 4.320 0.001 0.000 0.210 234 A C 0.749 177.831 177.584 -0.837 0.000 1.179 234 A CA 0.750 52.495 52.037 -0.487 0.000 0.827 234 A CB -0.672 17.953 19.000 -0.624 0.000 0.856 234 A HN 0.530 nan 8.150 nan 0.000 0.488 235 F N -1.429 118.486 119.950 -0.058 0.000 2.912 235 F HA 0.282 4.810 4.527 0.001 0.000 0.357 235 F C 0.001 175.764 175.800 -0.062 0.000 1.003 235 F CA -0.577 57.377 58.000 -0.077 0.000 1.132 235 F CB 0.945 39.863 39.000 -0.136 0.000 1.055 235 F HN 0.086 nan 8.300 nan 0.000 0.572 236 D N 0.165 120.614 120.400 0.082 0.000 2.788 236 D HA 0.217 4.857 4.640 0.001 0.000 0.247 236 D C 0.700 177.009 176.300 0.014 0.000 1.236 236 D CA -0.153 53.869 54.000 0.037 0.000 0.898 236 D CB 1.950 42.761 40.800 0.018 0.000 1.401 236 D HN -0.276 nan 8.370 nan 0.000 0.549 237 K N 1.751 122.156 120.400 0.010 0.000 2.077 237 K HA -0.206 4.115 4.320 0.001 0.000 0.213 237 K C 0.591 177.193 176.600 0.003 0.000 1.051 237 K CA 1.667 57.956 56.287 0.003 0.000 0.929 237 K CB -0.135 32.369 32.500 0.007 0.000 0.715 237 K HN 0.652 nan 8.250 nan 0.000 0.451 238 E N -0.673 119.530 120.200 0.005 0.000 2.969 238 E HA 0.448 4.798 4.350 0.001 0.000 0.213 238 E C 0.236 176.839 176.600 0.005 0.000 1.107 238 E CA -0.562 55.841 56.400 0.005 0.000 1.007 238 E CB 0.773 30.476 29.700 0.004 0.000 1.326 238 E HN 0.169 nan 8.360 nan 0.000 0.432 239 G N -0.235 108.570 108.800 0.009 0.000 3.107 239 G HA2 0.318 4.278 3.960 0.001 0.000 0.232 239 G HA3 0.318 4.278 3.960 0.001 0.000 0.232 239 G C 0.045 174.955 174.900 0.017 0.000 1.339 239 G CA -0.143 44.964 45.100 0.011 0.000 1.033 239 G HN 0.173 nan 8.290 nan 0.000 0.567 240 T N -1.517 113.051 114.554 0.022 0.000 2.980 240 T HA 0.220 4.570 4.350 0.001 0.000 0.252 240 T C 0.442 175.175 174.700 0.054 0.000 0.962 240 T CA 0.143 62.261 62.100 0.029 0.000 0.932 240 T CB 0.084 68.961 68.868 0.016 0.000 1.188 240 T HN 0.223 nan 8.240 nan 0.000 0.500 241 V N 3.667 123.629 119.914 0.080 0.000 2.583 241 V HA 0.570 4.691 4.120 0.001 0.000 0.287 241 V C 0.703 176.902 176.094 0.175 0.000 1.051 241 V CA -0.149 62.244 62.300 0.156 0.000 1.010 241 V CB 0.958 32.892 31.823 0.185 0.000 0.988 241 V HN 0.644 nan 8.190 nan 0.000 0.478 242 T N 1.280 115.934 114.554 0.167 0.000 2.804 242 T HA 0.675 5.026 4.350 0.001 0.000 0.290 242 T C 0.963 175.730 174.700 0.112 0.000 1.099 242 T CA -0.022 62.134 62.100 0.093 0.000 1.011 242 T CB 1.882 70.783 68.868 0.055 0.000 1.291 242 T HN 0.672 nan 8.240 nan 0.000 0.523 243 A N 0.193 123.041 122.820 0.048 0.000 1.972 243 A HA 0.226 4.546 4.320 0.001 0.000 0.219 243 A C 2.288 179.915 177.584 0.072 0.000 1.169 243 A CA 1.971 54.043 52.037 0.058 0.000 0.635 243 A CB -1.576 17.441 19.000 0.029 0.000 0.810 243 A HN 1.189 nan 8.150 nan 0.000 0.446 244 G N 0.487 109.322 108.800 0.058 0.000 2.448 244 G HA2 -0.159 3.802 3.960 0.001 0.000 0.218 244 G HA3 -0.159 3.802 3.960 0.001 0.000 0.218 244 G C 0.924 175.868 174.900 0.072 0.000 1.135 244 G CA 1.049 46.177 45.100 0.047 0.000 0.784 244 G HN 0.786 nan 8.290 nan 0.000 0.543 245 N N -0.248 118.516 118.700 0.107 0.000 2.234 245 N HA 0.523 5.263 4.740 0.001 0.000 0.227 245 N C 0.113 175.715 175.510 0.154 0.000 1.151 245 N CA 0.209 53.344 53.050 0.142 0.000 0.865 245 N CB 0.808 39.382 38.487 0.144 0.000 1.066 245 N HN 0.288 nan 8.380 nan 0.000 0.515 246 A N 0.017 122.901 122.820 0.108 0.000 2.380 246 A HA 0.749 5.069 4.320 0.001 0.000 0.315 246 A C 0.259 177.767 177.584 -0.126 0.000 1.101 246 A CA -0.658 51.340 52.037 -0.065 0.000 0.771 246 A CB 0.905 19.940 19.000 0.058 0.000 1.287 246 A HN 0.312 nan 8.150 nan 0.000 0.436 247 S N 0.357 115.859 115.700 -0.331 0.000 2.606 247 S HA 0.589 5.060 4.470 0.001 0.000 0.257 247 S C 0.645 175.205 174.600 -0.066 0.000 1.327 247 S CA 0.106 58.217 58.200 -0.148 0.000 0.984 247 S CB 0.573 63.618 63.200 -0.258 0.000 0.941 247 S HN 1.604 nan 8.310 nan 0.000 0.576 248 G N -0.875 107.905 108.800 -0.035 0.000 2.938 248 G HA2 0.615 4.575 3.960 0.001 0.000 0.258 248 G HA3 0.615 4.575 3.960 0.001 0.000 0.258 248 G C -1.122 173.638 174.900 -0.233 0.000 1.356 248 G CA -1.341 43.674 45.100 -0.142 0.000 1.052 248 G HN 0.723 nan 8.290 nan 0.000 0.550 249 L N 0.730 121.752 121.223 -0.334 0.000 2.272 249 L HA 0.490 4.831 4.340 0.001 0.000 0.289 249 L C -0.612 176.089 176.870 -0.282 0.000 1.032 249 L CA -0.647 53.958 54.840 -0.392 0.000 0.810 249 L CB 1.325 42.865 42.059 -0.865 0.000 1.205 249 L HN 0.435 nan 8.230 nan 0.000 0.422 250 N N 0.935 119.532 118.700 -0.172 0.000 2.525 250 N HA 0.489 5.229 4.740 0.001 0.000 0.270 250 N C -1.749 173.752 175.510 -0.015 0.000 1.321 250 N CA -0.959 52.029 53.050 -0.103 0.000 0.797 250 N CB 1.800 40.165 38.487 -0.204 0.000 1.529 250 N HN 0.412 nan 8.380 nan 0.000 0.491 251 D N -0.359 120.067 120.400 0.043 0.000 2.252 251 D HA 0.743 5.383 4.640 0.001 0.000 0.245 251 D C -0.027 176.324 176.300 0.085 0.000 1.009 251 D CA -0.310 53.739 54.000 0.081 0.000 0.870 251 D CB 1.942 42.861 40.800 0.198 0.000 1.251 251 D HN 0.643 nan 8.370 nan 0.000 0.460 252 G N -0.888 107.898 108.800 -0.024 0.000 2.325 252 G HA2 0.570 4.531 3.960 0.001 0.000 0.297 252 G HA3 0.570 4.531 3.960 0.001 0.000 0.297 252 G C -2.021 172.802 174.900 -0.129 0.000 1.448 252 G CA -0.304 44.760 45.100 -0.060 0.000 0.838 252 G HN 0.620 nan 8.290 nan 0.000 0.579 253 A N -1.019 121.723 122.820 -0.129 0.000 2.539 253 A HA 1.162 5.483 4.320 0.001 0.000 0.296 253 A C -0.296 177.250 177.584 -0.064 0.000 1.073 253 A CA 0.179 52.148 52.037 -0.113 0.000 0.700 253 A CB 1.680 20.591 19.000 -0.149 0.000 1.296 253 A HN 2.660 nan 8.150 nan 0.000 0.405 254 A N -0.285 122.506 122.820 -0.048 0.000 2.577 254 A HA 0.939 5.259 4.320 0.001 0.000 0.297 254 A C -0.605 176.967 177.584 -0.019 0.000 1.060 254 A CA 0.219 52.246 52.037 -0.016 0.000 0.697 254 A CB 0.808 19.808 19.000 0.001 0.000 1.281 254 A HN 2.661 nan 8.150 nan 0.000 0.402 255 A N 0.238 123.060 122.820 0.003 0.000 2.566 255 A HA 1.057 5.378 4.320 0.001 0.000 0.292 255 A C -0.310 177.280 177.584 0.009 0.000 1.112 255 A CA -0.057 51.973 52.037 -0.011 0.000 0.707 255 A CB 1.310 20.297 19.000 -0.020 0.000 1.302 255 A HN 2.635 nan 8.150 nan 0.000 0.409 256 A N -0.215 122.597 122.820 -0.014 0.000 2.423 256 A HA 0.796 5.117 4.320 0.001 0.000 0.304 256 A C -1.331 176.242 177.584 -0.018 0.000 1.104 256 A CA -0.469 51.561 52.037 -0.010 0.000 0.757 256 A CB 1.346 20.331 19.000 -0.026 0.000 1.313 256 A HN 1.775 nan 8.150 nan 0.000 0.423 257 L N 2.260 123.476 121.223 -0.012 0.000 2.316 257 L HA 0.552 4.892 4.340 0.001 0.000 0.280 257 L C -1.545 175.315 176.870 -0.017 0.000 1.006 257 L CA -0.668 54.164 54.840 -0.013 0.000 0.836 257 L CB 0.813 42.871 42.059 -0.001 0.000 1.221 257 L HN 0.535 nan 8.230 nan 0.000 0.418 258 L N 6.017 127.227 121.223 -0.022 0.000 2.334 258 L HA 0.678 5.018 4.340 0.001 0.000 0.275 258 L C 0.121 176.985 176.870 -0.010 0.000 1.036 258 L CA -0.362 54.467 54.840 -0.019 0.000 0.807 258 L CB 1.234 43.276 42.059 -0.027 0.000 1.231 258 L HN 0.872 nan 8.230 nan 0.000 0.438 259 M N -0.229 119.367 119.600 -0.006 0.000 2.949 259 M HA 0.541 5.021 4.480 0.001 0.000 0.270 259 M C -0.430 175.872 176.300 0.003 0.000 1.221 259 M CA -0.748 54.553 55.300 0.000 0.000 0.818 259 M CB 2.084 34.685 32.600 0.002 0.000 1.635 259 M HN 0.446 nan 8.290 nan 0.000 0.492 260 S N -0.302 115.402 115.700 0.006 0.000 2.593 260 S HA 0.151 4.621 4.470 0.001 0.000 0.269 260 S C 0.634 175.239 174.600 0.008 0.000 1.334 260 S CA 0.419 58.624 58.200 0.008 0.000 1.015 260 S CB 1.194 64.400 63.200 0.010 0.000 0.912 260 S HN 0.959 nan 8.310 nan 0.000 0.541 261 E N 1.699 121.905 120.200 0.011 0.000 2.153 261 E HA -0.138 4.212 4.350 0.001 0.000 0.194 261 E C 2.046 178.652 176.600 0.011 0.000 0.988 261 E CA 1.133 57.540 56.400 0.011 0.000 0.811 261 E CB -0.501 29.208 29.700 0.015 0.000 0.746 261 E HN 0.845 nan 8.360 nan 0.000 0.466 262 A N 1.056 123.882 122.820 0.011 0.000 1.855 262 A HA -0.226 4.094 4.320 0.001 0.000 0.215 262 A C 2.043 179.633 177.584 0.009 0.000 1.191 262 A CA 1.708 53.751 52.037 0.010 0.000 0.613 262 A CB -0.628 18.378 19.000 0.010 0.000 0.829 262 A HN 0.294 nan 8.150 nan 0.000 0.442 263 E N 0.422 120.627 120.200 0.008 0.000 2.070 263 E HA -0.177 4.173 4.350 0.001 0.000 0.197 263 E C 1.993 178.597 176.600 0.007 0.000 1.004 263 E CA 1.998 58.402 56.400 0.008 0.000 0.805 263 E CB -0.532 29.173 29.700 0.007 0.000 0.744 263 E HN 0.484 nan 8.360 nan 0.000 0.451 264 A N -0.269 122.555 122.820 0.007 0.000 1.933 264 A HA -0.170 4.151 4.320 0.001 0.000 0.218 264 A C 2.437 180.026 177.584 0.007 0.000 1.175 264 A CA 2.007 54.048 52.037 0.006 0.000 0.628 264 A CB -0.952 18.051 19.000 0.005 0.000 0.814 264 A HN 0.332 nan 8.150 nan 0.000 0.444 265 S N -0.786 114.918 115.700 0.008 0.000 2.406 265 S HA -0.127 4.343 4.470 0.001 0.000 0.228 265 S C 2.091 176.696 174.600 0.008 0.000 1.020 265 S CA 1.177 59.382 58.200 0.008 0.000 0.965 265 S CB -0.309 62.896 63.200 0.009 0.000 0.798 265 S HN 0.604 nan 8.310 nan 0.000 0.488 266 R N 0.216 120.720 120.500 0.008 0.000 2.193 266 R HA 0.097 4.437 4.340 0.001 0.000 0.229 266 R C 2.128 178.432 176.300 0.008 0.000 1.110 266 R CA 1.230 57.334 56.100 0.008 0.000 0.988 266 R CB -0.064 30.241 30.300 0.008 0.000 0.871 266 R HN 0.351 nan 8.270 nan 0.000 0.458 267 R N -1.190 119.314 120.500 0.008 0.000 2.397 267 R HA 0.163 4.503 4.340 0.001 0.000 0.241 267 R C 0.731 177.036 176.300 0.009 0.000 0.914 267 R CA 0.492 56.597 56.100 0.008 0.000 1.071 267 R CB 1.063 31.368 30.300 0.008 0.000 1.116 267 R HN 0.286 nan 8.270 nan 0.000 0.524 268 G N 1.942 110.747 108.800 0.008 0.000 2.160 268 G HA2 -0.280 3.681 3.960 0.001 0.000 0.251 268 G HA3 -0.280 3.681 3.960 0.001 0.000 0.251 268 G C 0.110 175.016 174.900 0.009 0.000 1.008 268 G CA -0.037 45.068 45.100 0.009 0.000 0.724 268 G HN 0.241 nan 8.290 nan 0.000 0.514 269 I N 0.891 121.466 120.570 0.009 0.000 2.371 269 I HA 0.206 4.376 4.170 0.001 0.000 0.290 269 I C 0.254 176.375 176.117 0.006 0.000 1.028 269 I CA -0.445 60.861 61.300 0.009 0.000 1.345 269 I CB 1.105 39.109 38.000 0.008 0.000 1.407 269 I HN 0.024 nan 8.210 nan 0.000 0.501 270 Q N 7.516 127.319 119.800 0.006 0.000 2.456 270 Q HA 0.368 4.708 4.340 0.001 0.000 0.234 270 Q C -2.279 173.717 176.000 -0.007 0.000 1.061 270 Q CA -1.899 53.906 55.803 0.002 0.000 0.896 270 Q CB 0.494 29.235 28.738 0.005 0.000 1.233 270 Q HN 0.329 nan 8.270 nan 0.000 0.506 271 P HA 0.049 nan 4.420 nan 0.000 0.269 271 P C 0.735 178.005 177.300 -0.050 0.000 1.215 271 P CA -0.486 62.598 63.100 -0.026 0.000 0.780 271 P CB 0.883 32.573 31.700 -0.016 0.000 0.898 272 L N 0.230 121.398 121.223 -0.091 0.000 2.291 272 L HA 0.204 4.545 4.340 0.001 0.000 0.214 272 L C 1.275 178.085 176.870 -0.100 0.000 1.120 272 L CA 1.415 56.164 54.840 -0.152 0.000 0.799 272 L CB -1.709 40.176 42.059 -0.291 0.000 0.925 272 L HN 0.656 nan 8.230 nan 0.000 0.446 273 G N -0.775 107.991 108.800 -0.057 0.000 2.328 273 G HA2 0.332 4.293 3.960 0.001 0.000 0.295 273 G HA3 0.332 4.293 3.960 0.001 0.000 0.295 273 G C -1.367 173.534 174.900 0.003 0.000 1.413 273 G CA -0.864 44.225 45.100 -0.017 0.000 0.817 273 G HN -0.036 nan 8.290 nan 0.000 0.546 274 R N 0.093 120.613 120.500 0.033 0.000 2.494 274 R HA 0.634 4.974 4.340 0.001 0.000 0.305 274 R C -0.574 175.755 176.300 0.049 0.000 0.959 274 R CA -0.864 55.259 56.100 0.038 0.000 0.864 274 R CB 1.101 31.432 30.300 0.052 0.000 1.159 274 R HN 0.414 nan 8.270 nan 0.000 0.446 275 I N 6.301 126.890 120.570 0.031 0.000 2.363 275 I HA 0.012 4.183 4.170 0.001 0.000 0.292 275 I C 1.480 177.609 176.117 0.019 0.000 1.075 275 I CA -0.216 61.103 61.300 0.032 0.000 1.333 275 I CB 1.524 39.539 38.000 0.025 0.000 1.415 275 I HN 0.603 nan 8.210 nan 0.000 0.502 276 V N 2.730 122.630 119.914 -0.023 0.000 3.125 276 V HA 0.226 4.346 4.120 0.001 0.000 0.249 276 V C 0.666 176.678 176.094 -0.136 0.000 1.113 276 V CA 0.941 63.179 62.300 -0.103 0.000 1.106 276 V CB 0.067 31.759 31.823 -0.219 0.000 0.768 276 V HN 0.756 nan 8.190 nan 0.000 0.468 277 S N -0.645 114.998 115.700 -0.095 0.000 2.595 277 S HA 0.654 5.125 4.470 0.001 0.000 0.270 277 S C -1.501 173.177 174.600 0.129 0.000 1.145 277 S CA -0.227 57.947 58.200 -0.044 0.000 0.825 277 S CB 1.607 64.682 63.200 -0.208 0.000 1.107 277 S HN 1.461 nan 8.310 nan 0.000 0.461 278 W N 0.535 121.798 121.300 -0.063 0.000 3.146 278 W HA 0.807 5.467 4.660 0.001 0.000 0.319 278 W C -1.814 174.697 176.519 -0.013 0.000 1.258 278 W CA -0.711 56.619 57.345 -0.025 0.000 1.189 278 W CB 0.897 30.351 29.460 -0.011 0.000 1.412 278 W HN 1.522 nan 8.180 nan 0.000 0.567 279 A N 1.254 124.001 122.820 -0.122 0.000 2.601 279 A HA 0.739 5.060 4.320 0.001 0.000 0.291 279 A C -1.596 175.949 177.584 -0.064 0.000 1.075 279 A CA -0.422 51.330 52.037 -0.475 0.000 0.671 279 A CB 1.624 20.451 19.000 -0.288 0.000 1.277 279 A HN 0.888 nan 8.150 nan 0.000 0.417 280 T N 0.176 114.657 114.554 -0.121 0.000 3.032 280 T HA 0.612 4.963 4.350 0.001 0.000 0.312 280 T C -1.402 173.307 174.700 0.015 0.000 1.078 280 T CA -0.215 61.932 62.100 0.077 0.000 1.028 280 T CB 0.934 69.956 68.868 0.257 0.000 1.091 280 T HN 1.268 nan 8.240 nan 0.000 0.457 281 V N 2.746 122.681 119.914 0.036 0.000 3.074 281 V HA 0.967 5.087 4.120 0.001 0.000 0.314 281 V C 0.771 176.887 176.094 0.037 0.000 1.117 281 V CA -0.810 61.501 62.300 0.018 0.000 1.014 281 V CB 2.243 34.068 31.823 0.003 0.000 1.057 281 V HN 1.065 nan 8.190 nan 0.000 0.438 282 G N -0.068 108.746 108.800 0.024 0.000 2.453 282 G HA2 0.806 4.767 3.960 0.001 0.000 0.323 282 G HA3 0.806 4.767 3.960 0.001 0.000 0.323 282 G C -0.948 173.962 174.900 0.017 0.000 1.198 282 G CA -0.357 44.759 45.100 0.026 0.000 0.959 282 G HN 1.245 nan 8.290 nan 0.000 0.482 283 V N -1.810 118.116 119.914 0.019 0.000 3.181 283 V HA 0.661 4.781 4.120 0.001 0.000 0.307 283 V C -0.912 175.185 176.094 0.005 0.000 1.310 283 V CA -1.242 61.066 62.300 0.014 0.000 1.067 283 V CB 1.739 33.580 31.823 0.029 0.000 1.081 283 V HN 0.610 nan 8.190 nan 0.000 0.453 284 D N 1.674 122.076 120.400 0.003 0.000 2.412 284 D HA 0.279 4.919 4.640 0.001 0.000 0.257 284 D C -1.572 174.737 176.300 0.015 0.000 1.217 284 D CA -1.475 52.526 54.000 0.000 0.000 0.897 284 D CB 1.591 42.392 40.800 0.000 0.000 1.132 284 D HN 0.365 nan 8.370 nan 0.000 0.493 285 P HA -0.210 nan 4.420 nan 0.000 0.218 285 P C 0.941 178.275 177.300 0.057 0.000 1.150 285 P CA 1.593 64.756 63.100 0.106 0.000 0.841 285 P CB 0.179 32.009 31.700 0.217 0.000 0.784 286 K N -0.682 119.675 120.400 -0.072 0.000 2.147 286 K HA -0.048 4.273 4.320 0.001 0.000 0.205 286 K C 1.014 177.567 176.600 -0.078 0.000 1.049 286 K CA 1.484 57.659 56.287 -0.186 0.000 0.936 286 K CB -0.267 32.036 32.500 -0.330 0.000 0.722 286 K HN 0.185 nan 8.250 nan 0.000 0.446 287 V N -0.588 119.303 119.914 -0.038 0.000 2.666 287 V HA 0.146 4.267 4.120 0.001 0.000 0.306 287 V C 0.903 177.005 176.094 0.013 0.000 1.156 287 V CA -0.573 61.717 62.300 -0.017 0.000 1.274 287 V CB 0.087 31.916 31.823 0.009 0.000 1.536 287 V HN 0.150 nan 8.190 nan 0.000 0.640 288 M N 0.604 120.218 119.600 0.025 0.000 2.337 288 M HA 0.141 4.621 4.480 0.001 0.000 0.261 288 M C 1.746 178.074 176.300 0.046 0.000 1.067 288 M CA 2.480 57.811 55.300 0.051 0.000 1.074 288 M CB -1.269 31.380 32.600 0.080 0.000 1.395 288 M HN 0.331 nan 8.290 nan 0.000 0.431 289 G N 0.393 109.204 108.800 0.019 0.000 2.462 289 G HA2 -0.207 3.754 3.960 0.001 0.000 0.220 289 G HA3 -0.207 3.754 3.960 0.001 0.000 0.220 289 G C 1.605 176.508 174.900 0.004 0.000 1.121 289 G CA 1.326 46.432 45.100 0.010 0.000 0.758 289 G HN 0.708 nan 8.290 nan 0.000 0.559 290 T N -1.538 113.030 114.554 0.024 0.000 3.085 290 T HA 0.183 4.533 4.350 0.001 0.000 0.263 290 T C 2.353 177.078 174.700 0.043 0.000 1.127 290 T CA 1.111 63.236 62.100 0.041 0.000 1.103 290 T CB -0.134 68.797 68.868 0.106 0.000 0.921 290 T HN 0.212 nan 8.240 nan 0.000 0.510 291 G N 2.979 111.808 108.800 0.048 0.000 2.574 291 G HA2 -0.207 3.754 3.960 0.001 0.000 0.220 291 G HA3 -0.207 3.754 3.960 0.001 0.000 0.220 291 G C -0.579 174.357 174.900 0.060 0.000 1.173 291 G CA 0.951 46.086 45.100 0.058 0.000 0.772 291 G HN 0.486 nan 8.290 nan 0.000 0.585 292 P HA 0.042 nan 4.420 nan 0.000 0.228 292 P C 1.686 179.026 177.300 0.066 0.000 1.151 292 P CA 0.471 63.624 63.100 0.089 0.000 0.770 292 P CB 0.007 31.775 31.700 0.113 0.000 0.786 293 I N 0.019 120.606 120.570 0.029 0.000 2.162 293 I HA -0.101 4.069 4.170 0.001 0.000 0.238 293 I C -0.534 175.583 176.117 0.001 0.000 1.076 293 I CA 1.509 62.805 61.300 -0.007 0.000 1.353 293 I CB -1.947 36.054 38.000 0.001 0.000 1.063 293 I HN -0.015 nan 8.210 nan 0.000 0.408 294 P HA -0.145 nan 4.420 nan 0.000 0.216 294 P C 1.409 178.713 177.300 0.006 0.000 1.150 294 P CA 1.748 64.851 63.100 0.006 0.000 0.837 294 P CB -0.024 31.681 31.700 0.009 0.000 0.786 295 A N -0.733 122.103 122.820 0.027 0.000 1.855 295 A HA -0.145 4.175 4.320 0.001 0.000 0.215 295 A C 2.432 180.048 177.584 0.053 0.000 1.191 295 A CA 2.049 54.107 52.037 0.036 0.000 0.613 295 A CB -1.553 17.490 19.000 0.072 0.000 0.829 295 A HN 0.089 nan 8.150 nan 0.000 0.442 296 S N -0.586 115.166 115.700 0.086 0.000 2.383 296 S HA -0.173 4.297 4.470 0.001 0.000 0.229 296 S C 2.130 176.783 174.600 0.090 0.000 1.030 296 S CA 1.562 59.844 58.200 0.136 0.000 1.002 296 S CB -0.293 63.022 63.200 0.191 0.000 0.829 296 S HN 0.584 nan 8.310 nan 0.000 0.467 297 R N 0.893 121.411 120.500 0.029 0.000 2.057 297 R HA 0.046 4.386 4.340 0.001 0.000 0.229 297 R C 2.366 178.667 176.300 0.001 0.000 1.136 297 R CA 0.888 56.994 56.100 0.010 0.000 0.952 297 R CB -0.304 29.986 30.300 -0.017 0.000 0.848 297 R HN 0.056 nan 8.270 nan 0.000 0.430 298 K N 1.145 121.533 120.400 -0.021 0.000 2.113 298 K HA -0.119 4.201 4.320 0.001 0.000 0.208 298 K C 1.815 178.368 176.600 -0.078 0.000 1.047 298 K CA 1.846 58.098 56.287 -0.059 0.000 0.928 298 K CB -0.366 32.084 32.500 -0.084 0.000 0.716 298 K HN 0.215 nan 8.250 nan 0.000 0.446 299 A N 0.473 123.265 122.820 -0.048 0.000 1.929 299 A HA -0.041 4.280 4.320 0.001 0.000 0.216 299 A C 2.351 179.898 177.584 -0.062 0.000 1.176 299 A CA 0.992 52.994 52.037 -0.059 0.000 0.628 299 A CB -0.406 18.602 19.000 0.014 0.000 0.816 299 A HN 0.270 nan 8.150 nan 0.000 0.444 300 L N -0.681 120.555 121.223 0.021 0.000 2.093 300 L HA -0.170 4.170 4.340 0.001 0.000 0.208 300 L C 2.641 179.517 176.870 0.010 0.000 1.085 300 L CA 1.706 56.590 54.840 0.074 0.000 0.755 300 L CB -0.493 41.670 42.059 0.174 0.000 0.904 300 L HN 0.596 nan 8.230 nan 0.000 0.435 301 E N 0.818 121.010 120.200 -0.014 0.000 2.028 301 E HA -0.216 4.134 4.350 0.001 0.000 0.191 301 E C 2.322 178.876 176.600 -0.077 0.000 0.988 301 E CA 0.979 57.361 56.400 -0.029 0.000 0.799 301 E CB 0.060 29.741 29.700 -0.031 0.000 0.755 301 E HN 0.361 nan 8.360 nan 0.000 0.447 302 R N -0.147 120.284 120.500 -0.115 0.000 2.170 302 R HA -0.138 4.203 4.340 0.001 0.000 0.242 302 R C 2.131 178.315 176.300 -0.193 0.000 1.145 302 R CA 1.050 57.062 56.100 -0.148 0.000 0.984 302 R CB -0.200 29.990 30.300 -0.183 0.000 0.869 302 R HN 0.176 nan 8.270 nan 0.000 0.455 303 A N -0.231 122.422 122.820 -0.278 0.000 2.132 303 A HA 0.208 4.529 4.320 0.001 0.000 0.213 303 A C 1.492 178.844 177.584 -0.385 0.000 1.154 303 A CA 0.757 52.482 52.037 -0.520 0.000 0.753 303 A CB 0.103 18.471 19.000 -1.053 0.000 0.826 303 A HN 0.411 nan 8.150 nan 0.000 0.469 304 G N -2.557 106.162 108.800 -0.133 0.000 2.147 304 G HA2 -0.230 3.730 3.960 0.001 0.000 0.244 304 G HA3 -0.230 3.730 3.960 0.001 0.000 0.244 304 G C -0.332 174.720 174.900 0.253 0.000 1.005 304 G CA 0.279 45.403 45.100 0.039 0.000 0.713 304 G HN 0.348 nan 8.290 nan 0.000 0.515 305 W N 0.821 122.137 121.300 0.026 0.000 2.469 305 W HA 0.651 5.312 4.660 0.001 0.000 0.320 305 W C 0.675 177.216 176.519 0.037 0.000 1.086 305 W CA -1.750 55.616 57.345 0.035 0.000 1.211 305 W CB 0.873 30.361 29.460 0.047 0.000 1.298 305 W HN -0.076 nan 8.180 nan 0.000 0.525 306 K N 3.061 123.605 120.400 0.240 0.000 2.202 306 K HA 0.146 4.466 4.320 0.001 0.000 0.264 306 K C 1.445 178.141 176.600 0.159 0.000 1.010 306 K CA -0.544 55.833 56.287 0.149 0.000 0.940 306 K CB 1.192 33.744 32.500 0.086 0.000 0.983 306 K HN 0.241 nan 8.250 nan 0.000 0.475 307 I N 1.291 121.942 120.570 0.135 0.000 2.087 307 I HA -0.263 3.907 4.170 0.001 0.000 0.240 307 I C 2.061 178.270 176.117 0.153 0.000 1.054 307 I CA 2.111 63.508 61.300 0.161 0.000 1.311 307 I CB -1.449 36.609 38.000 0.096 0.000 1.024 307 I HN 0.875 nan 8.210 nan 0.000 0.402 308 G N 0.343 109.200 108.800 0.095 0.000 2.586 308 G HA2 -0.213 3.748 3.960 0.001 0.000 0.215 308 G HA3 -0.213 3.748 3.960 0.001 0.000 0.215 308 G C 1.114 176.019 174.900 0.009 0.000 1.128 308 G CA 0.522 45.660 45.100 0.062 0.000 0.774 308 G HN 0.358 nan 8.290 nan 0.000 0.543 309 D N 0.098 120.488 120.400 -0.016 0.000 2.269 309 D HA 0.016 4.656 4.640 0.001 0.000 0.208 309 D C 1.371 177.539 176.300 -0.221 0.000 0.963 309 D CA 0.101 54.006 54.000 -0.157 0.000 0.864 309 D CB 0.016 40.660 40.800 -0.260 0.000 0.936 309 D HN 0.246 nan 8.370 nan 0.000 0.505 310 L N 1.352 122.521 121.223 -0.090 0.000 2.453 310 L HA 0.013 4.354 4.340 0.001 0.000 0.272 310 L C 1.142 177.958 176.870 -0.089 0.000 1.182 310 L CA -0.088 54.702 54.840 -0.084 0.000 0.858 310 L CB 0.771 42.864 42.059 0.055 0.000 1.120 310 L HN -0.174 nan 8.230 nan 0.000 0.474 311 D N 2.023 122.352 120.400 -0.118 0.000 2.338 311 D HA 0.191 4.832 4.640 0.001 0.000 0.208 311 D C -0.202 176.047 176.300 -0.085 0.000 0.997 311 D CA 0.728 54.672 54.000 -0.093 0.000 0.880 311 D CB 0.635 41.376 40.800 -0.099 0.000 0.980 311 D HN 0.079 nan 8.370 nan 0.000 0.509 312 L N 0.370 121.538 121.223 -0.092 0.000 2.513 312 L HA 0.374 4.715 4.340 0.001 0.000 0.261 312 L C -1.406 175.378 176.870 -0.143 0.000 0.945 312 L CA -0.857 53.919 54.840 -0.106 0.000 0.848 312 L CB 2.446 44.462 42.059 -0.071 0.000 1.334 312 L HN -0.346 nan 8.230 nan 0.000 0.407 313 V N 3.177 122.947 119.914 -0.240 0.000 2.656 313 V HA 0.584 4.704 4.120 0.001 0.000 0.307 313 V C -0.755 175.183 176.094 -0.260 0.000 1.051 313 V CA -0.716 61.373 62.300 -0.352 0.000 0.893 313 V CB 2.202 33.514 31.823 -0.852 0.000 0.999 313 V HN 0.627 nan 8.190 nan 0.000 0.426 314 E N 3.347 123.451 120.200 -0.159 0.000 2.149 314 E HA 0.598 4.949 4.350 0.001 0.000 0.255 314 E C -0.539 176.035 176.600 -0.043 0.000 0.888 314 E CA -0.280 56.077 56.400 -0.072 0.000 0.742 314 E CB 1.990 31.689 29.700 -0.001 0.000 1.164 314 E HN 0.746 nan 8.360 nan 0.000 0.422 315 A N 3.578 126.376 122.820 -0.037 0.000 2.267 315 A HA 0.282 4.602 4.320 0.001 0.000 0.315 315 A C -0.155 177.486 177.584 0.094 0.000 1.297 315 A CA -0.779 51.300 52.037 0.070 0.000 0.865 315 A CB 0.586 19.680 19.000 0.156 0.000 1.165 315 A HN 0.475 nan 8.150 nan 0.000 0.513 316 D N 1.833 122.289 120.400 0.092 0.000 2.449 316 D HA 0.124 4.764 4.640 0.001 0.000 0.236 316 D C 0.026 176.354 176.300 0.047 0.000 1.149 316 D CA 0.757 54.799 54.000 0.070 0.000 0.878 316 D CB 0.636 41.483 40.800 0.078 0.000 1.198 316 D HN 0.566 nan 8.370 nan 0.000 0.446 317 E N 2.664 122.879 120.200 0.023 0.000 2.373 317 E HA 0.359 4.709 4.350 0.001 0.000 0.233 317 E C 0.447 176.948 176.600 -0.166 0.000 1.035 317 E CA -0.592 55.822 56.400 0.024 0.000 0.930 317 E CB 1.064 30.886 29.700 0.202 0.000 1.278 317 E HN 0.489 nan 8.360 nan 0.000 0.452 318 A N 2.604 125.281 122.820 -0.238 0.000 1.865 318 A HA -0.072 4.249 4.320 0.001 0.000 0.217 318 A C 0.353 177.582 177.584 -0.591 0.000 1.191 318 A CA 1.239 53.005 52.037 -0.452 0.000 0.623 318 A CB -0.057 18.866 19.000 -0.128 0.000 0.826 318 A HN 0.429 nan 8.150 nan 0.000 0.444 319 F N -4.405 115.480 119.950 -0.109 0.000 2.599 319 F HA 0.588 5.115 4.527 0.001 0.000 0.311 319 F C 1.125 176.834 175.800 -0.152 0.000 1.076 319 F CA -0.412 57.537 58.000 -0.086 0.000 0.937 319 F CB 1.702 40.643 39.000 -0.099 0.000 1.282 319 F HN 0.095 nan 8.300 nan 0.000 0.460 320 A N 1.496 124.344 122.820 0.047 0.000 1.883 320 A HA -0.049 4.271 4.320 0.001 0.000 0.217 320 A C 2.247 179.623 177.584 -0.347 0.000 1.186 320 A CA 2.192 54.079 52.037 -0.251 0.000 0.624 320 A CB -1.233 17.764 19.000 -0.004 0.000 0.822 320 A HN 0.934 nan 8.150 nan 0.000 0.444 321 A N 0.316 123.059 122.820 -0.130 0.000 1.884 321 A HA -0.327 3.993 4.320 0.001 0.000 0.219 321 A C 2.173 179.615 177.584 -0.237 0.000 1.197 321 A CA 2.694 54.638 52.037 -0.155 0.000 0.637 321 A CB -0.858 18.080 19.000 -0.103 0.000 0.827 321 A HN 0.778 nan 8.150 nan 0.000 0.450 322 Q N -0.425 119.270 119.800 -0.174 0.000 2.083 322 Q HA 0.220 4.561 4.340 0.001 0.000 0.198 322 Q C 1.958 177.798 176.000 -0.266 0.000 0.969 322 Q CA 1.972 57.658 55.803 -0.195 0.000 0.838 322 Q CB -0.892 27.806 28.738 -0.067 0.000 0.900 322 Q HN 0.504 nan 8.270 nan 0.000 0.436 323 A N 0.710 123.358 122.820 -0.287 0.000 1.877 323 A HA -0.165 4.155 4.320 0.001 0.000 0.216 323 A C 2.388 179.746 177.584 -0.377 0.000 1.186 323 A CA 1.363 53.224 52.037 -0.293 0.000 0.620 323 A CB -1.267 17.539 19.000 -0.323 0.000 0.822 323 A HN 0.617 nan 8.150 nan 0.000 0.443 324 C N -0.968 117.978 119.300 -0.590 0.000 2.391 324 C HA -0.093 4.367 4.460 0.001 0.000 0.276 324 C C 3.321 178.054 174.990 -0.428 0.000 1.217 324 C CA 1.053 59.822 59.018 -0.414 0.000 1.766 324 C CB -1.439 26.084 27.740 -0.363 0.000 2.046 324 C HN 0.701 nan 8.230 nan 0.000 0.475 325 A N -0.113 122.323 122.820 -0.640 0.000 1.877 325 A HA -0.093 4.228 4.320 0.001 0.000 0.216 325 A C 2.289 179.317 177.584 -0.926 0.000 1.186 325 A CA 2.178 53.469 52.037 -1.244 0.000 0.620 325 A CB -0.737 17.345 19.000 -1.530 0.000 0.822 325 A HN 0.372 nan 8.150 nan 0.000 0.443 326 V N 0.962 120.591 119.914 -0.474 0.000 2.295 326 V HA -0.267 3.853 4.120 0.001 0.000 0.246 326 V C 2.330 178.300 176.094 -0.207 0.000 1.049 326 V CA 2.201 64.351 62.300 -0.249 0.000 1.024 326 V CB -1.063 30.733 31.823 -0.045 0.000 0.648 326 V HN 0.540 nan 8.190 nan 0.000 0.447 327 N N 0.211 118.888 118.700 -0.039 0.000 2.104 327 N HA -0.193 4.548 4.740 0.001 0.000 0.190 327 N C 1.830 177.281 175.510 -0.099 0.000 1.024 327 N CA 1.533 54.654 53.050 0.118 0.000 0.853 327 N CB -0.359 38.292 38.487 0.275 0.000 1.008 327 N HN 0.480 nan 8.380 nan 0.000 0.424 328 K N 0.479 120.781 120.400 -0.164 0.000 2.057 328 K HA -0.149 4.171 4.320 0.001 0.000 0.207 328 K C 1.561 178.133 176.600 -0.046 0.000 1.049 328 K CA 1.547 57.779 56.287 -0.092 0.000 0.931 328 K CB -0.126 32.313 32.500 -0.101 0.000 0.714 328 K HN 0.135 nan 8.250 nan 0.000 0.440 329 D N 0.038 120.372 120.400 -0.109 0.000 2.078 329 D HA -0.161 4.479 4.640 0.001 0.000 0.193 329 D C 1.859 178.070 176.300 -0.149 0.000 0.990 329 D CA 1.230 55.245 54.000 0.024 0.000 0.827 329 D CB 0.030 40.880 40.800 0.083 0.000 0.975 329 D HN 0.111 nan 8.370 nan 0.000 0.451 330 L N -0.420 120.569 121.223 -0.391 0.000 2.201 330 L HA 0.130 4.471 4.340 0.001 0.000 0.212 330 L C 1.839 178.434 176.870 -0.458 0.000 1.105 330 L CA 0.918 55.403 54.840 -0.592 0.000 0.775 330 L CB -0.340 40.937 42.059 -1.304 0.000 0.913 330 L HN 0.427 nan 8.230 nan 0.000 0.440 331 G N -0.719 107.869 108.800 -0.353 0.000 2.203 331 G HA2 -0.280 3.680 3.960 0.001 0.000 0.263 331 G HA3 -0.280 3.680 3.960 0.001 0.000 0.263 331 G C -0.072 174.843 174.900 0.025 0.000 1.012 331 G CA 0.300 45.336 45.100 -0.107 0.000 0.749 331 G HN 0.372 nan 8.290 nan 0.000 0.512 332 W N -0.020 121.298 121.300 0.030 0.000 2.137 332 W HA 0.582 5.242 4.660 0.001 0.000 0.344 332 W C 0.115 176.649 176.519 0.024 0.000 1.286 332 W CA -2.391 54.970 57.345 0.027 0.000 1.240 332 W CB 0.135 29.613 29.460 0.031 0.000 1.141 332 W HN 0.121 nan 8.180 nan 0.000 0.579 333 D N 2.783 123.351 120.400 0.280 0.000 2.389 333 D HA 0.079 4.720 4.640 0.001 0.000 0.263 333 D C -1.331 175.037 176.300 0.112 0.000 1.255 333 D CA -1.719 52.373 54.000 0.153 0.000 0.914 333 D CB 1.089 41.938 40.800 0.082 0.000 1.116 333 D HN 0.023 nan 8.370 nan 0.000 0.502 334 P HA -0.180 nan 4.420 nan 0.000 0.216 334 P C 1.120 178.424 177.300 0.007 0.000 1.150 334 P CA 1.229 64.383 63.100 0.091 0.000 0.843 334 P CB -0.025 31.738 31.700 0.105 0.000 0.787 335 S N -0.603 115.098 115.700 0.003 0.000 2.584 335 S HA -0.106 4.364 4.470 0.001 0.000 0.240 335 S C 1.560 176.128 174.600 -0.052 0.000 0.975 335 S CA 0.857 59.042 58.200 -0.025 0.000 0.949 335 S CB -1.406 61.785 63.200 -0.015 0.000 0.761 335 S HN 0.400 nan 8.310 nan 0.000 0.536 336 I N -2.054 118.471 120.570 -0.074 0.000 4.025 336 I HA 0.445 4.615 4.170 0.001 0.000 0.336 336 I C -0.673 175.329 176.117 -0.190 0.000 1.390 336 I CA -0.528 60.704 61.300 -0.114 0.000 1.099 336 I CB 0.628 38.566 38.000 -0.105 0.000 1.049 336 I HN -0.030 nan 8.210 nan 0.000 0.394 337 V N 3.463 123.261 119.914 -0.194 0.000 2.350 337 V HA 0.354 4.475 4.120 0.001 0.000 0.276 337 V C -0.147 175.874 176.094 -0.121 0.000 1.028 337 V CA -0.500 61.658 62.300 -0.236 0.000 0.860 337 V CB 0.480 32.160 31.823 -0.239 0.000 0.990 337 V HN 0.558 nan 8.190 nan 0.000 0.453 338 N N 2.918 121.557 118.700 -0.101 0.000 2.727 338 N HA -0.147 4.593 4.740 0.001 0.000 0.251 338 N C 0.864 176.341 175.510 -0.056 0.000 1.040 338 N CA 0.783 53.803 53.050 -0.050 0.000 0.712 338 N CB -1.157 37.311 38.487 -0.031 0.000 0.912 338 N HN 0.455 nan 8.380 nan 0.000 0.545 339 V N -0.229 119.649 119.914 -0.060 0.000 2.453 339 V HA -0.234 3.886 4.120 0.001 0.000 0.252 339 V C 1.516 177.570 176.094 -0.067 0.000 1.068 339 V CA 1.945 64.205 62.300 -0.067 0.000 1.070 339 V CB -0.099 31.683 31.823 -0.068 0.000 0.664 339 V HN 0.519 nan 8.190 nan 0.000 0.461 340 N N -0.121 118.557 118.700 -0.037 0.000 2.238 340 N HA 0.346 5.086 4.740 0.001 0.000 0.222 340 N C 0.527 176.095 175.510 0.096 0.000 1.133 340 N CA 0.923 53.950 53.050 -0.039 0.000 0.854 340 N CB 0.968 39.365 38.487 -0.150 0.000 1.041 340 N HN 0.524 nan 8.380 nan 0.000 0.510 341 G N -1.002 107.818 108.800 0.034 0.000 2.663 341 G HA2 0.135 4.095 3.960 0.001 0.000 0.686 341 G HA3 0.135 4.095 3.960 0.001 0.000 0.686 341 G C -0.170 174.758 174.900 0.046 0.000 1.246 341 G CA -0.612 44.501 45.100 0.020 0.000 0.795 341 G HN 0.405 nan 8.290 nan 0.000 0.627 342 G N -1.239 107.566 108.800 0.009 0.000 3.016 342 G HA2 0.821 4.782 3.960 0.001 0.000 0.270 342 G HA3 0.821 4.782 3.960 0.001 0.000 0.270 342 G C 1.217 176.149 174.900 0.055 0.000 1.352 342 G CA 0.767 45.894 45.100 0.044 0.000 1.060 342 G HN 2.029 nan 8.290 nan 0.000 0.538 343 A N -0.894 121.963 122.820 0.061 0.000 2.172 343 A HA 0.092 4.412 4.320 0.001 0.000 0.216 343 A C 2.141 179.774 177.584 0.081 0.000 1.154 343 A CA 0.760 52.837 52.037 0.068 0.000 0.701 343 A CB -0.485 18.543 19.000 0.046 0.000 0.789 343 A HN 0.499 nan 8.150 nan 0.000 0.465 344 I N -0.922 119.690 120.570 0.070 0.000 2.394 344 I HA -0.244 3.927 4.170 0.001 0.000 0.251 344 I C 2.732 178.906 176.117 0.096 0.000 1.136 344 I CA 1.100 62.451 61.300 0.085 0.000 1.425 344 I CB -0.121 37.939 38.000 0.100 0.000 1.079 344 I HN 0.401 nan 8.210 nan 0.000 0.425 345 A N 0.672 123.523 122.820 0.050 0.000 1.909 345 A HA 0.088 4.409 4.320 0.001 0.000 0.210 345 A C 2.163 179.811 177.584 0.107 0.000 1.273 345 A CA 0.382 52.406 52.037 -0.022 0.000 0.654 345 A CB -0.559 18.406 19.000 -0.058 0.000 0.945 345 A HN 0.211 nan 8.150 nan 0.000 0.471 346 I N -0.445 120.187 120.570 0.103 0.000 2.226 346 I HA 0.100 4.271 4.170 0.001 0.000 0.245 346 I C 1.333 177.557 176.117 0.178 0.000 1.100 346 I CA 1.259 62.603 61.300 0.072 0.000 1.374 346 I CB -0.414 37.562 38.000 -0.040 0.000 1.057 346 I HN 0.539 nan 8.210 nan 0.000 0.413 347 G N -0.588 108.328 108.800 0.193 0.000 2.362 347 G HA2 -0.055 3.906 3.960 0.001 0.000 0.656 347 G HA3 -0.055 3.906 3.960 0.001 0.000 0.656 347 G C -1.222 173.712 174.900 0.057 0.000 1.376 347 G CA -0.802 44.305 45.100 0.012 0.000 0.971 347 G HN 0.265 nan 8.290 nan 0.000 0.636 348 H N 1.318 120.303 119.070 -0.141 0.000 2.380 348 H HA 0.513 5.070 4.556 0.001 0.000 0.231 348 H C -2.207 173.062 175.328 -0.099 0.000 1.415 348 H CA -1.706 54.282 56.048 -0.100 0.000 1.433 348 H CB 1.275 30.972 29.762 -0.108 0.000 1.544 348 H HN 0.352 nan 8.280 nan 0.000 0.503 349 P HA -0.003 nan 4.420 nan 0.000 0.259 349 P C 1.315 178.434 177.300 -0.301 0.000 1.635 349 P CA 0.240 63.221 63.100 -0.198 0.000 1.199 349 P CB -0.039 31.591 31.700 -0.115 0.000 1.850 350 I N 2.154 122.489 120.570 -0.391 0.000 2.345 350 I HA -0.382 3.788 4.170 0.001 0.000 0.228 350 I C 2.553 178.525 176.117 -0.242 0.000 0.960 350 I CA 2.377 63.434 61.300 -0.406 0.000 1.262 350 I CB -1.507 36.367 38.000 -0.211 0.000 0.969 350 I HN 0.285 nan 8.210 nan 0.000 0.385 351 G N -0.423 108.288 108.800 -0.149 0.000 2.450 351 G HA2 -0.149 3.811 3.960 0.001 0.000 0.220 351 G HA3 -0.149 3.811 3.960 0.001 0.000 0.220 351 G C 1.517 176.356 174.900 -0.102 0.000 1.130 351 G CA 0.941 45.980 45.100 -0.102 0.000 0.760 351 G HN 0.620 nan 8.290 nan 0.000 0.557 352 A N -0.393 122.357 122.820 -0.116 0.000 2.303 352 A HA 0.483 4.804 4.320 0.001 0.000 0.217 352 A C 2.260 179.794 177.584 -0.083 0.000 1.205 352 A CA 1.219 53.200 52.037 -0.093 0.000 0.875 352 A CB -0.165 18.782 19.000 -0.090 0.000 0.910 352 A HN 0.255 nan 8.150 nan 0.000 0.501 353 S N 0.140 115.765 115.700 -0.125 0.000 2.383 353 S HA -0.119 4.351 4.470 0.001 0.000 0.229 353 S C 2.012 176.616 174.600 0.007 0.000 1.030 353 S CA 1.873 60.023 58.200 -0.085 0.000 1.002 353 S CB -0.367 62.687 63.200 -0.244 0.000 0.829 353 S HN 0.717 nan 8.310 nan 0.000 0.467 354 G N 0.351 109.152 108.800 0.002 0.000 2.408 354 G HA2 -0.004 3.957 3.960 0.001 0.000 0.217 354 G HA3 -0.004 3.957 3.960 0.001 0.000 0.217 354 G C 1.526 176.437 174.900 0.019 0.000 1.150 354 G CA 0.823 45.941 45.100 0.030 0.000 0.776 354 G HN 0.624 nan 8.290 nan 0.000 0.542 355 A N 0.028 122.844 122.820 -0.006 0.000 2.066 355 A HA 0.152 4.473 4.320 0.001 0.000 0.218 355 A C 2.325 179.921 177.584 0.021 0.000 1.157 355 A CA 1.258 53.292 52.037 -0.003 0.000 0.670 355 A CB -0.278 18.706 19.000 -0.027 0.000 0.804 355 A HN 0.225 nan 8.150 nan 0.000 0.453 356 R N 0.811 121.322 120.500 0.018 0.000 2.073 356 R HA -0.082 4.259 4.340 0.001 0.000 0.229 356 R C 2.002 178.339 176.300 0.061 0.000 1.120 356 R CA 1.823 57.941 56.100 0.031 0.000 0.967 356 R CB -0.617 29.689 30.300 0.010 0.000 0.862 356 R HN 0.742 nan 8.270 nan 0.000 0.436 357 I N -1.990 118.619 120.570 0.064 0.000 2.439 357 I HA -0.145 4.025 4.170 0.001 0.000 0.251 357 I C 2.273 178.436 176.117 0.076 0.000 1.139 357 I CA 1.007 62.353 61.300 0.077 0.000 1.438 357 I CB -0.442 37.603 38.000 0.076 0.000 1.085 357 I HN 0.035 nan 8.210 nan 0.000 0.427 358 L N 1.424 122.685 121.223 0.062 0.000 2.079 358 L HA -0.220 4.121 4.340 0.001 0.000 0.210 358 L C 2.490 179.402 176.870 0.070 0.000 1.081 358 L CA 1.729 56.600 54.840 0.052 0.000 0.752 358 L CB -0.663 41.415 42.059 0.032 0.000 0.896 358 L HN 0.466 nan 8.230 nan 0.000 0.433 359 N N -0.815 117.952 118.700 0.112 0.000 2.039 359 N HA -0.179 4.561 4.740 0.001 0.000 0.193 359 N C 1.573 177.264 175.510 0.302 0.000 1.044 359 N CA 2.257 55.440 53.050 0.221 0.000 0.847 359 N CB -0.177 38.448 38.487 0.230 0.000 1.030 359 N HN 0.339 nan 8.380 nan 0.000 0.422 360 T N 3.096 117.792 114.554 0.237 0.000 2.699 360 T HA -0.136 4.215 4.350 0.001 0.000 0.268 360 T C 1.981 176.787 174.700 0.177 0.000 1.036 360 T CA 0.586 62.837 62.100 0.252 0.000 1.147 360 T CB -0.350 68.657 68.868 0.232 0.000 0.862 360 T HN 0.209 nan 8.240 nan 0.000 0.446 361 L N 0.563 121.851 121.223 0.110 0.000 1.970 361 L HA -0.128 4.212 4.340 0.001 0.000 0.212 361 L C 2.427 179.312 176.870 0.025 0.000 1.071 361 L CA 1.793 56.664 54.840 0.052 0.000 0.751 361 L CB -0.458 41.621 42.059 0.033 0.000 0.889 361 L HN 0.319 nan 8.230 nan 0.000 0.432 362 L N -1.205 120.006 121.223 -0.020 0.000 2.017 362 L HA -0.268 4.073 4.340 0.001 0.000 0.208 362 L C 2.514 179.262 176.870 -0.204 0.000 1.073 362 L CA 1.443 56.182 54.840 -0.168 0.000 0.745 362 L CB -0.667 41.192 42.059 -0.332 0.000 0.894 362 L HN 0.181 nan 8.230 nan 0.000 0.432 363 F N 0.003 119.969 119.950 0.027 0.000 2.325 363 F HA -0.137 4.390 4.527 0.001 0.000 0.299 363 F C 2.548 178.349 175.800 0.001 0.000 1.090 363 F CA 1.004 59.016 58.000 0.020 0.000 1.392 363 F CB -0.242 38.780 39.000 0.037 0.000 1.053 363 F HN 0.066 nan 8.300 nan 0.000 0.521 364 E N 0.140 120.426 120.200 0.143 0.000 2.216 364 E HA -0.100 4.250 4.350 0.001 0.000 0.192 364 E C 2.100 178.709 176.600 0.016 0.000 0.988 364 E CA 0.930 57.363 56.400 0.055 0.000 0.834 364 E CB -0.213 29.503 29.700 0.025 0.000 0.772 364 E HN 0.325 nan 8.360 nan 0.000 0.479 365 M N -0.085 119.516 119.600 0.002 0.000 2.175 365 M HA -0.115 4.365 4.480 0.001 0.000 0.264 365 M C 2.258 178.547 176.300 -0.019 0.000 1.063 365 M CA 1.440 56.728 55.300 -0.020 0.000 1.119 365 M CB -0.097 32.485 32.600 -0.031 0.000 1.377 365 M HN -0.011 nan 8.290 nan 0.000 0.415 366 K N 0.894 121.285 120.400 -0.017 0.000 2.025 366 K HA -0.196 4.124 4.320 0.001 0.000 0.207 366 K C 2.081 178.690 176.600 0.014 0.000 1.049 366 K CA 1.650 57.934 56.287 -0.005 0.000 0.933 366 K CB -0.079 32.420 32.500 -0.002 0.000 0.714 366 K HN 0.340 nan 8.250 nan 0.000 0.438 367 R N 0.852 121.371 120.500 0.032 0.000 2.090 367 R HA -0.115 4.225 4.340 0.001 0.000 0.228 367 R C 1.999 178.298 176.300 -0.001 0.000 1.110 367 R CA 1.589 57.702 56.100 0.021 0.000 0.973 367 R CB -0.432 29.884 30.300 0.026 0.000 0.869 367 R HN 0.226 nan 8.270 nan 0.000 0.440 368 R N -0.027 120.467 120.500 -0.009 0.000 2.317 368 R HA 0.249 4.590 4.340 0.001 0.000 0.208 368 R C 0.639 176.927 176.300 -0.021 0.000 0.914 368 R CA 0.468 56.556 56.100 -0.020 0.000 1.060 368 R CB 0.168 30.451 30.300 -0.029 0.000 1.015 368 R HN 0.337 nan 8.270 nan 0.000 0.498 369 G N 0.525 109.315 108.800 -0.017 0.000 2.198 369 G HA2 -0.284 3.676 3.960 0.001 0.000 0.257 369 G HA3 -0.284 3.676 3.960 0.001 0.000 0.257 369 G C 0.153 175.035 174.900 -0.029 0.000 1.042 369 G CA 0.052 45.141 45.100 -0.020 0.000 0.791 369 G HN 0.688 nan 8.290 nan 0.000 0.502 370 A N -1.015 121.785 122.820 -0.034 0.000 2.340 370 A HA 0.829 5.150 4.320 0.001 0.000 0.268 370 A C 1.214 178.769 177.584 -0.049 0.000 1.100 370 A CA 0.514 52.523 52.037 -0.047 0.000 0.803 370 A CB 0.553 19.522 19.000 -0.051 0.000 1.043 370 A HN 0.451 nan 8.150 nan 0.000 0.488 371 R N 0.603 121.061 120.500 -0.071 0.000 2.103 371 R HA 0.159 4.499 4.340 0.001 0.000 0.212 371 R C -0.089 176.156 176.300 -0.091 0.000 1.107 371 R CA 0.925 56.983 56.100 -0.070 0.000 1.025 371 R CB -0.084 30.165 30.300 -0.086 0.000 0.929 371 R HN 0.629 nan 8.270 nan 0.000 0.456 372 K N 0.793 121.078 120.400 -0.191 0.000 2.265 372 K HA 0.548 4.868 4.320 0.001 0.000 0.267 372 K C -0.523 176.002 176.600 -0.125 0.000 0.994 372 K CA -0.385 55.712 56.287 -0.316 0.000 0.860 372 K CB 1.955 33.968 32.500 -0.812 0.000 1.099 372 K HN 0.213 nan 8.250 nan 0.000 0.448 373 G N 2.232 111.071 108.800 0.065 0.000 2.574 373 G HA2 0.740 4.701 3.960 0.001 0.000 0.299 373 G HA3 0.740 4.701 3.960 0.001 0.000 0.299 373 G C -1.827 173.193 174.900 0.200 0.000 1.298 373 G CA -0.655 44.498 45.100 0.087 0.000 0.952 373 G HN 0.511 nan 8.290 nan 0.000 0.477 374 L N 0.443 121.737 121.223 0.118 0.000 2.513 374 L HA 0.821 5.161 4.340 0.001 0.000 0.261 374 L C -0.485 176.422 176.870 0.062 0.000 0.945 374 L CA -0.770 54.154 54.840 0.140 0.000 0.848 374 L CB 1.954 44.145 42.059 0.219 0.000 1.334 374 L HN 0.887 nan 8.230 nan 0.000 0.407 375 A N 2.447 125.319 122.820 0.086 0.000 2.337 375 A HA 0.884 5.204 4.320 0.001 0.000 0.331 375 A C -0.654 177.000 177.584 0.117 0.000 1.137 375 A CA -0.363 51.718 52.037 0.073 0.000 0.807 375 A CB 1.969 21.009 19.000 0.067 0.000 1.250 375 A HN 0.678 nan 8.150 nan 0.000 0.468 376 T N 0.382 115.009 114.554 0.122 0.000 2.932 376 T HA 0.628 4.979 4.350 0.001 0.000 0.318 376 T C -1.741 173.039 174.700 0.134 0.000 1.265 376 T CA -0.308 61.882 62.100 0.151 0.000 1.036 376 T CB 0.527 69.519 68.868 0.206 0.000 1.209 376 T HN 0.625 nan 8.240 nan 0.000 0.484 377 L N 2.816 124.119 121.223 0.132 0.000 2.424 377 L HA 0.736 5.077 4.340 0.001 0.000 0.258 377 L C 0.247 177.189 176.870 0.120 0.000 0.995 377 L CA -0.931 53.985 54.840 0.126 0.000 0.821 377 L CB 1.855 43.996 42.059 0.138 0.000 1.383 377 L HN 0.975 nan 8.230 nan 0.000 0.410 378 C N 0.339 119.706 119.300 0.111 0.000 2.382 378 C HA 0.887 5.348 4.460 0.001 0.000 0.363 378 C C -0.103 174.961 174.990 0.124 0.000 1.213 378 C CA -0.876 58.205 59.018 0.106 0.000 2.363 378 C CB 0.212 28.005 27.740 0.089 0.000 2.397 378 C HN 0.645 nan 8.230 nan 0.000 0.573 379 I N 1.711 122.351 120.570 0.116 0.000 2.571 379 I HA 0.486 4.657 4.170 0.001 0.000 0.289 379 I C 0.893 177.082 176.117 0.121 0.000 1.115 379 I CA -0.289 61.083 61.300 0.120 0.000 1.045 379 I CB 1.594 39.662 38.000 0.112 0.000 1.238 379 I HN 1.069 nan 8.210 nan 0.000 0.424 380 G N 2.733 111.608 108.800 0.125 0.000 2.647 380 G HA2 0.355 4.316 3.960 0.001 0.000 0.234 380 G HA3 0.355 4.316 3.960 0.001 0.000 0.234 380 G C 1.015 176.011 174.900 0.160 0.000 1.252 380 G CA 0.561 45.739 45.100 0.130 0.000 0.846 380 G HN 1.297 nan 8.290 nan 0.000 0.589 381 G N -0.783 108.151 108.800 0.222 0.000 2.162 381 G HA2 0.252 4.212 3.960 0.001 0.000 0.260 381 G HA3 0.252 4.212 3.960 0.001 0.000 0.260 381 G C 1.188 176.210 174.900 0.202 0.000 0.976 381 G CA 0.913 46.225 45.100 0.353 0.000 0.655 381 G HN 2.793 nan 8.290 nan 0.000 0.533 382 G N -1.228 107.656 108.800 0.141 0.000 2.738 382 G HA2 0.153 4.113 3.960 0.001 0.000 0.262 382 G HA3 0.153 4.113 3.960 0.001 0.000 0.262 382 G C -0.248 174.698 174.900 0.077 0.000 1.032 382 G CA 0.842 45.994 45.100 0.086 0.000 1.278 382 G HN 1.347 nan 8.290 nan 0.000 0.537 383 M N -0.225 119.425 119.600 0.085 0.000 2.603 383 M HA 0.627 5.108 4.480 0.001 0.000 0.275 383 M C 0.211 176.564 176.300 0.088 0.000 1.226 383 M CA -0.239 55.111 55.300 0.084 0.000 0.870 383 M CB 2.494 35.153 32.600 0.097 0.000 1.716 383 M HN 0.956 nan 8.290 nan 0.000 0.482 384 G N 0.471 109.324 108.800 0.088 0.000 2.574 384 G HA2 0.761 4.721 3.960 0.001 0.000 0.299 384 G HA3 0.761 4.721 3.960 0.001 0.000 0.299 384 G C -2.222 172.751 174.900 0.121 0.000 1.298 384 G CA -0.628 44.530 45.100 0.097 0.000 0.952 384 G HN 0.566 nan 8.290 nan 0.000 0.477 385 V N -0.175 119.822 119.914 0.138 0.000 2.888 385 V HA 0.917 5.037 4.120 0.001 0.000 0.309 385 V C -0.723 175.476 176.094 0.175 0.000 1.114 385 V CA 0.012 62.420 62.300 0.180 0.000 0.940 385 V CB 1.719 33.652 31.823 0.184 0.000 1.021 385 V HN 1.792 nan 8.190 nan 0.000 0.426 386 A N 6.576 129.520 122.820 0.207 0.000 2.594 386 A HA 0.931 5.251 4.320 0.001 0.000 0.295 386 A C -1.239 176.477 177.584 0.219 0.000 1.071 386 A CA -0.533 51.616 52.037 0.187 0.000 0.685 386 A CB 2.105 21.201 19.000 0.159 0.000 1.285 386 A HN 1.343 nan 8.150 nan 0.000 0.405 387 M N 1.446 121.154 119.600 0.181 0.000 2.324 387 M HA 0.525 5.006 4.480 0.001 0.000 0.288 387 M C -1.812 174.567 176.300 0.133 0.000 1.097 387 M CA -0.261 55.144 55.300 0.174 0.000 0.928 387 M CB 1.586 34.277 32.600 0.151 0.000 1.648 387 M HN 0.730 nan 8.290 nan 0.000 0.460 388 C N 5.279 124.624 119.300 0.076 0.000 2.330 388 C HA 0.710 5.170 4.460 0.001 0.000 0.344 388 C C -0.150 174.895 174.990 0.092 0.000 1.273 388 C CA -0.715 58.342 59.018 0.065 0.000 1.879 388 C CB 0.087 27.651 27.740 -0.293 0.000 2.376 388 C HN 0.622 nan 8.230 nan 0.000 0.534 389 I N 2.424 123.142 120.570 0.246 0.000 2.785 389 I HA 0.598 4.768 4.170 0.001 0.000 0.302 389 I C -0.212 176.118 176.117 0.354 0.000 1.069 389 I CA -0.488 60.939 61.300 0.212 0.000 1.045 389 I CB 1.776 39.848 38.000 0.119 0.000 1.236 389 I HN 0.746 nan 8.210 nan 0.000 0.429 390 E N 2.141 122.490 120.200 0.248 0.000 2.321 390 E HA 0.418 4.768 4.350 0.001 0.000 0.278 390 E C -0.802 175.858 176.600 0.099 0.000 0.902 390 E CA -0.439 56.090 56.400 0.215 0.000 0.758 390 E CB 1.951 31.851 29.700 0.333 0.000 1.213 390 E HN 0.694 nan 8.360 nan 0.000 0.426 391 S N 3.695 119.425 115.700 0.049 0.000 2.606 391 S HA 0.312 4.783 4.470 0.001 0.000 0.257 391 S C 0.451 175.069 174.600 0.028 0.000 1.327 391 S CA -0.546 57.665 58.200 0.019 0.000 0.984 391 S CB 0.482 63.681 63.200 -0.003 0.000 0.941 391 S HN 0.503 nan 8.310 nan 0.000 0.576 392 L N 0.000 121.232 121.223 0.015 0.000 2.949 392 L HA 0.000 4.340 4.340 0.001 0.000 0.249 392 L CA 0.000 54.852 54.840 0.020 0.000 0.813 392 L CB 0.000 42.068 42.059 0.015 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502