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 1qfl_1_D DATA FIRST_RESID 4 DATA SEQUENCE SIVIASAART AVGSFNGAFA NTPAHELGAT VISAVLERAG VAAGEVNEVI DATA SEQUENCE LGQVLPAGEG QNPARQAAMK AGVPQEATAW GMNQLXGSGL RAVALGMQQI DATA SEQUENCE ATGDASIIVA GGMESMSMAP HCAHLRGGVK MGDFKMIDTM IKDGLTDAFY DATA SEQUENCE GYHMGTTAEN VAKQWQLSRD EQDAFAVASQ NKAEAAQKDG RFKDEIVPFI DATA SEQUENCE VKGRKGDITV DADEYIRHGA TLDSMAKLRP AFDKEGTVTA GNASGLNDGA DATA SEQUENCE AAALLMSEAE ASRRGIQPLG RIVSWATVGV DPKVMGTGPI PASRKALERA DATA SEQUENCE GWKIGDLDLV EANEAFAAQA 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 0.000 174.614 174.600 0.023 0.000 1.055 4 S CA 0.000 58.215 58.200 0.025 0.000 1.107 4 S CB 0.000 63.217 63.200 0.027 0.000 0.593 5 I N 4.812 125.396 120.570 0.024 0.000 2.354 5 I HA 0.600 4.770 4.170 -0.000 0.000 0.292 5 I C -0.014 176.112 176.117 0.015 0.000 0.989 5 I CA -0.659 60.651 61.300 0.017 0.000 1.188 5 I CB 0.955 38.964 38.000 0.014 0.000 1.342 5 I HN 0.399 nan 8.210 nan 0.000 0.457 6 V N 4.155 124.073 119.914 0.008 0.000 2.864 6 V HA 0.617 4.737 4.120 -0.000 0.000 0.314 6 V C -0.229 175.861 176.094 -0.007 0.000 1.073 6 V CA -0.910 61.392 62.300 0.004 0.000 0.956 6 V CB 2.552 34.376 31.823 0.003 0.000 1.023 6 V HN 0.496 nan 8.190 nan 0.000 0.435 7 I N 3.250 123.810 120.570 -0.016 0.000 2.282 7 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 7 I C 1.597 177.694 176.117 -0.034 0.000 1.090 7 I CA -0.018 61.266 61.300 -0.026 0.000 1.231 7 I CB 1.186 39.165 38.000 -0.035 0.000 1.434 7 I HN 0.928 nan 8.210 nan 0.000 0.487 8 A N 4.731 127.538 122.820 -0.021 0.000 1.908 8 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 8 A C 1.130 178.700 177.584 -0.024 0.000 1.181 8 A CA 1.833 53.859 52.037 -0.018 0.000 0.627 8 A CB -0.176 18.821 19.000 -0.005 0.000 0.818 8 A HN 0.692 nan 8.150 nan 0.000 0.445 9 S N -4.100 111.591 115.700 -0.014 0.000 2.643 9 S HA 0.780 5.250 4.470 -0.000 0.000 0.270 9 S C -0.688 173.933 174.600 0.035 0.000 1.166 9 S CA -0.135 58.069 58.200 0.007 0.000 0.815 9 S CB 1.131 64.358 63.200 0.045 0.000 1.139 9 S HN 1.841 nan 8.310 nan 0.000 0.472 10 A N -0.214 122.685 122.820 0.132 0.000 2.601 10 A HA 1.030 5.350 4.320 -0.000 0.000 0.291 10 A C -0.871 176.902 177.584 0.316 0.000 1.075 10 A CA -0.434 51.718 52.037 0.193 0.000 0.671 10 A CB 0.696 19.789 19.000 0.155 0.000 1.277 10 A HN 2.471 nan 8.150 nan 0.000 0.417 11 A N 0.203 123.145 122.820 0.204 0.000 2.597 11 A HA 0.895 5.214 4.320 -0.000 0.000 0.292 11 A C -0.785 176.841 177.584 0.070 0.000 1.057 11 A CA -0.021 52.086 52.037 0.117 0.000 0.674 11 A CB 1.178 20.222 19.000 0.073 0.000 1.278 11 A HN 2.149 nan 8.150 nan 0.000 0.416 12 R N -0.532 119.986 120.500 0.030 0.000 2.739 12 R HA 0.810 5.150 4.340 -0.000 0.000 0.271 12 R C -0.162 176.142 176.300 0.007 0.000 1.010 12 R CA -0.018 56.093 56.100 0.017 0.000 0.897 12 R CB 1.206 31.526 30.300 0.032 0.000 1.236 12 R HN 0.989 nan 8.270 nan 0.000 0.466 13 T N -0.913 113.638 114.554 -0.007 0.000 2.814 13 T HA 0.677 5.027 4.350 -0.000 0.000 0.284 13 T C 0.711 175.456 174.700 0.074 0.000 0.998 13 T CA -0.445 61.671 62.100 0.027 0.000 0.935 13 T CB 0.882 69.709 68.868 -0.070 0.000 1.167 13 T HN 0.783 nan 8.240 nan 0.000 0.545 14 A N 0.162 123.081 122.820 0.166 0.000 2.332 14 A HA 0.572 4.892 4.320 -0.000 0.000 0.258 14 A C 0.055 177.747 177.584 0.180 0.000 1.087 14 A CA -0.745 51.363 52.037 0.118 0.000 0.802 14 A CB 0.030 19.100 19.000 0.116 0.000 1.042 14 A HN 0.757 nan 8.150 nan 0.000 0.489 15 V N 1.537 121.484 119.914 0.055 0.000 2.407 15 V HA 0.520 4.640 4.120 -0.000 0.000 0.278 15 V C 1.064 177.136 176.094 -0.037 0.000 1.037 15 V CA 0.202 62.536 62.300 0.056 0.000 0.900 15 V CB 0.931 32.752 31.823 -0.003 0.000 0.983 15 V HN 1.116 nan 8.190 nan 0.000 0.459 16 G N 3.300 112.050 108.800 -0.083 0.000 2.477 16 G HA2 0.506 4.465 3.960 -0.000 0.000 0.304 16 G HA3 0.506 4.465 3.960 -0.000 0.000 0.304 16 G C -0.110 174.712 174.900 -0.130 0.000 1.175 16 G CA -0.342 44.553 45.100 -0.341 0.000 0.907 16 G HN 0.626 nan 8.290 nan 0.000 0.509 17 S N -1.000 114.648 115.700 -0.085 0.000 2.669 17 S HA 0.370 4.840 4.470 -0.000 0.000 0.270 17 S C -0.385 174.253 174.600 0.062 0.000 1.225 17 S CA -0.407 57.801 58.200 0.015 0.000 0.991 17 S CB 0.817 64.106 63.200 0.150 0.000 0.987 17 S HN 0.401 nan 8.310 nan 0.000 0.552 18 F N 3.160 123.065 119.950 -0.075 0.000 2.557 18 F HA 0.112 4.639 4.527 -0.000 0.000 0.384 18 F C 1.118 176.911 175.800 -0.011 0.000 1.057 18 F CA -0.126 57.849 58.000 -0.042 0.000 1.169 18 F CB -0.895 38.084 39.000 -0.034 0.000 1.070 18 F HN 0.601 nan 8.300 nan 0.000 0.554 19 N N 2.486 120.965 118.700 -0.369 0.000 2.800 19 N HA -0.184 4.556 4.740 -0.000 0.000 0.250 19 N C 0.551 175.975 175.510 -0.144 0.000 1.078 19 N CA 0.884 53.732 53.050 -0.337 0.000 0.804 19 N CB -1.333 36.889 38.487 -0.441 0.000 1.135 19 N HN 0.771 nan 8.380 nan 0.000 0.565 20 G N 0.082 108.827 108.800 -0.091 0.000 3.137 20 G HA2 0.526 4.486 3.960 -0.000 0.000 0.163 20 G HA3 0.526 4.486 3.960 -0.000 0.000 0.163 20 G C 1.224 176.064 174.900 -0.101 0.000 1.602 20 G CA 0.699 45.749 45.100 -0.083 0.000 1.067 20 G HN 0.280 nan 8.290 nan 0.000 0.568 21 A N -0.902 121.801 122.820 -0.196 0.000 2.024 21 A HA 0.079 4.398 4.320 -0.000 0.000 0.220 21 A C 1.744 179.317 177.584 -0.019 0.000 1.164 21 A CA 1.580 53.491 52.037 -0.210 0.000 0.643 21 A CB -0.434 18.268 19.000 -0.498 0.000 0.806 21 A HN 0.343 nan 8.150 nan 0.000 0.451 22 F N -1.343 118.603 119.950 -0.006 0.000 2.678 22 F HA 0.454 4.981 4.527 -0.000 0.000 0.305 22 F C 2.209 177.984 175.800 -0.043 0.000 1.090 22 F CA -0.824 57.158 58.000 -0.029 0.000 1.272 22 F CB -0.999 37.943 39.000 -0.097 0.000 1.060 22 F HN 0.222 nan 8.300 nan 0.000 0.576 23 A N 0.967 123.840 122.820 0.088 0.000 1.957 23 A HA -0.297 4.022 4.320 -0.000 0.000 0.224 23 A C 1.780 179.369 177.584 0.008 0.000 1.287 23 A CA 2.490 54.524 52.037 -0.005 0.000 0.682 23 A CB -0.712 18.261 19.000 -0.046 0.000 0.833 23 A HN 0.437 nan 8.150 nan 0.000 0.482 24 N N -0.641 118.083 118.700 0.039 0.000 2.338 24 N HA 0.092 4.832 4.740 -0.000 0.000 0.251 24 N C -0.911 174.619 175.510 0.034 0.000 1.199 24 N CA 0.181 53.247 53.050 0.027 0.000 0.879 24 N CB 0.716 39.216 38.487 0.021 0.000 1.159 24 N HN 0.353 nan 8.380 nan 0.000 0.514 25 T N 2.196 116.773 114.554 0.037 0.000 2.749 25 T HA 0.345 4.694 4.350 -0.000 0.000 0.287 25 T C -2.570 172.070 174.700 -0.100 0.000 0.970 25 T CA -1.409 60.679 62.100 -0.020 0.000 0.980 25 T CB 2.027 70.865 68.868 -0.050 0.000 0.924 25 T HN -0.044 nan 8.240 nan 0.000 0.456 26 P HA 0.257 nan 4.420 nan 0.000 0.271 26 P C 0.630 177.777 177.300 -0.256 0.000 1.216 26 P CA -0.351 62.653 63.100 -0.161 0.000 0.771 26 P CB 0.556 32.139 31.700 -0.196 0.000 0.864 27 A N 3.690 126.417 122.820 -0.156 0.000 1.958 27 A HA -0.265 4.055 4.320 -0.000 0.000 0.221 27 A C 1.911 179.393 177.584 -0.170 0.000 1.178 27 A CA 1.946 53.883 52.037 -0.166 0.000 0.642 27 A CB -1.743 17.210 19.000 -0.079 0.000 0.816 27 A HN 0.810 nan 8.150 nan 0.000 0.453 28 H N -1.122 117.900 119.070 -0.080 0.000 2.489 28 H HA -0.004 4.551 4.556 -0.000 0.000 0.293 28 H C 1.491 176.789 175.328 -0.049 0.000 1.066 28 H CA 1.398 57.410 56.048 -0.060 0.000 1.305 28 H CB -0.252 29.490 29.762 -0.033 0.000 1.386 28 H HN 0.649 nan 8.280 nan 0.000 0.551 29 E N 0.755 120.666 120.200 -0.481 0.000 2.112 29 E HA -0.001 4.349 4.350 -0.000 0.000 0.190 29 E C 2.481 179.021 176.600 -0.100 0.000 0.979 29 E CA 0.708 56.989 56.400 -0.199 0.000 0.814 29 E CB 0.213 29.840 29.700 -0.121 0.000 0.762 29 E HN 0.432 nan 8.360 nan 0.000 0.460 30 L N -0.011 120.971 121.223 -0.402 0.000 2.109 30 L HA -0.004 4.336 4.340 -0.000 0.000 0.207 30 L C 2.536 179.270 176.870 -0.227 0.000 1.086 30 L CA 1.012 55.504 54.840 -0.581 0.000 0.760 30 L CB -0.639 40.921 42.059 -0.832 0.000 0.910 30 L HN 0.182 nan 8.230 nan 0.000 0.437 31 G N 0.221 108.929 108.800 -0.153 0.000 2.491 31 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 31 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 31 G C 1.809 176.697 174.900 -0.020 0.000 1.180 31 G CA 1.030 46.088 45.100 -0.071 0.000 0.774 31 G HN 0.447 nan 8.290 nan 0.000 0.562 32 A N 0.284 123.115 122.820 0.019 0.000 1.869 32 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 32 A C 2.534 180.147 177.584 0.047 0.000 1.203 32 A CA 2.871 54.936 52.037 0.048 0.000 0.638 32 A CB -1.340 17.710 19.000 0.082 0.000 0.831 32 A HN 0.335 nan 8.150 nan 0.000 0.450 33 T N -0.450 114.153 114.554 0.081 0.000 2.597 33 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 33 T C 1.854 176.586 174.700 0.054 0.000 1.053 33 T CA 1.843 64.004 62.100 0.101 0.000 1.165 33 T CB -0.660 68.355 68.868 0.245 0.000 0.863 33 T HN 0.150 nan 8.240 nan 0.000 0.427 34 V N 1.132 121.060 119.914 0.023 0.000 2.343 34 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 34 V C 2.382 178.485 176.094 0.014 0.000 1.051 34 V CA 1.510 63.817 62.300 0.011 0.000 1.036 34 V CB -0.607 31.206 31.823 -0.017 0.000 0.654 34 V HN 0.487 nan 8.190 nan 0.000 0.451 35 I N -0.206 120.367 120.570 0.005 0.000 2.127 35 I HA -0.249 3.921 4.170 -0.000 0.000 0.241 35 I C 2.543 178.668 176.117 0.013 0.000 1.075 35 I CA 1.891 63.193 61.300 0.003 0.000 1.334 35 I CB -0.535 37.463 38.000 -0.004 0.000 1.040 35 I HN 0.256 nan 8.210 nan 0.000 0.405 36 S N 0.743 116.455 115.700 0.019 0.000 2.382 36 S HA -0.139 4.330 4.470 -0.000 0.000 0.228 36 S C 2.237 176.852 174.600 0.025 0.000 1.027 36 S CA 1.183 59.396 58.200 0.021 0.000 0.991 36 S CB -0.401 62.811 63.200 0.021 0.000 0.823 36 S HN 0.540 nan 8.310 nan 0.000 0.469 37 A N 2.043 124.881 122.820 0.031 0.000 1.851 37 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 37 A C 2.512 180.123 177.584 0.045 0.000 1.195 37 A CA 1.994 54.053 52.037 0.037 0.000 0.622 37 A CB -1.402 17.622 19.000 0.040 0.000 0.831 37 A HN 0.579 nan 8.150 nan 0.000 0.444 38 V N -1.933 118.008 119.914 0.045 0.000 2.282 38 V HA -0.269 3.851 4.120 -0.000 0.000 0.249 38 V C 2.224 178.340 176.094 0.037 0.000 1.057 38 V CA 2.182 64.511 62.300 0.049 0.000 1.032 38 V CB -1.173 30.673 31.823 0.038 0.000 0.645 38 V HN 0.288 nan 8.190 nan 0.000 0.447 39 L N 0.669 121.907 121.223 0.026 0.000 1.970 39 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 39 L C 2.791 179.676 176.870 0.024 0.000 1.071 39 L CA 2.334 57.186 54.840 0.020 0.000 0.751 39 L CB -1.574 40.495 42.059 0.015 0.000 0.889 39 L HN 0.491 nan 8.230 nan 0.000 0.432 40 E N -0.804 119.411 120.200 0.026 0.000 2.048 40 E HA -0.284 4.065 4.350 -0.000 0.000 0.202 40 E C 2.265 178.885 176.600 0.033 0.000 1.021 40 E CA 1.714 58.130 56.400 0.026 0.000 0.825 40 E CB -0.183 29.532 29.700 0.026 0.000 0.756 40 E HN 0.377 nan 8.360 nan 0.000 0.454 41 R N -0.038 120.490 120.500 0.046 0.000 2.133 41 R HA -0.172 4.168 4.340 -0.000 0.000 0.247 41 R C 2.143 178.473 176.300 0.050 0.000 1.151 41 R CA 1.437 57.574 56.100 0.061 0.000 0.971 41 R CB -0.233 30.123 30.300 0.094 0.000 0.866 41 R HN 0.148 nan 8.270 nan 0.000 0.447 42 A N -0.752 122.091 122.820 0.038 0.000 2.147 42 A HA 0.264 4.584 4.320 -0.000 0.000 0.211 42 A C 1.367 178.963 177.584 0.021 0.000 1.160 42 A CA 0.689 52.742 52.037 0.027 0.000 0.781 42 A CB 0.255 19.268 19.000 0.020 0.000 0.842 42 A HN 0.428 nan 8.150 nan 0.000 0.475 43 G N -1.171 107.641 108.800 0.021 0.000 2.142 43 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.225 43 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.225 43 G C -0.057 174.851 174.900 0.014 0.000 1.015 43 G CA 0.093 45.203 45.100 0.017 0.000 0.716 43 G HN 0.806 nan 8.290 nan 0.000 0.508 44 V N 0.602 120.524 119.914 0.014 0.000 2.435 44 V HA 0.801 4.921 4.120 -0.000 0.000 0.290 44 V C 0.897 176.997 176.094 0.011 0.000 1.030 44 V CA -0.303 62.004 62.300 0.011 0.000 0.881 44 V CB 1.582 33.410 31.823 0.010 0.000 0.983 44 V HN 1.096 nan 8.190 nan 0.000 0.445 45 A N 3.589 126.415 122.820 0.009 0.000 2.351 45 A HA 0.667 4.987 4.320 -0.000 0.000 0.257 45 A C 1.515 179.103 177.584 0.008 0.000 1.087 45 A CA 0.316 52.358 52.037 0.009 0.000 0.798 45 A CB 0.617 19.622 19.000 0.008 0.000 1.033 45 A HN 1.324 nan 8.150 nan 0.000 0.488 46 A N 2.078 124.903 122.820 0.008 0.000 1.917 46 A HA -0.035 4.284 4.320 -0.000 0.000 0.219 46 A C 2.212 179.800 177.584 0.007 0.000 1.182 46 A CA 2.425 54.467 52.037 0.007 0.000 0.633 46 A CB -1.354 17.650 19.000 0.008 0.000 0.819 46 A HN 1.590 nan 8.150 nan 0.000 0.448 47 G N -0.846 107.958 108.800 0.007 0.000 2.501 47 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.220 47 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.220 47 G C 1.206 176.111 174.900 0.008 0.000 1.114 47 G CA 1.007 46.112 45.100 0.007 0.000 0.757 47 G HN 0.706 nan 8.290 nan 0.000 0.559 48 E N -0.648 119.556 120.200 0.007 0.000 2.479 48 E HA 0.174 4.523 4.350 -0.000 0.000 0.193 48 E C 0.096 176.700 176.600 0.008 0.000 1.049 48 E CA -0.459 55.945 56.400 0.008 0.000 0.870 48 E CB 0.832 30.536 29.700 0.007 0.000 0.944 48 E HN 0.164 nan 8.360 nan 0.000 0.492 49 V N 2.007 121.925 119.914 0.007 0.000 2.555 49 V HA -0.007 4.113 4.120 -0.000 0.000 0.286 49 V C 0.742 176.842 176.094 0.010 0.000 1.044 49 V CA 0.271 62.574 62.300 0.005 0.000 1.026 49 V CB 1.187 33.010 31.823 0.001 0.000 0.981 49 V HN 0.212 nan 8.190 nan 0.000 0.480 50 N N 2.909 121.617 118.700 0.014 0.000 2.278 50 N HA 0.080 4.820 4.740 -0.000 0.000 0.181 50 N C 0.425 175.956 175.510 0.034 0.000 1.023 50 N CA 0.421 53.486 53.050 0.024 0.000 0.862 50 N CB 0.485 38.989 38.487 0.029 0.000 1.003 50 N HN 0.810 nan 8.380 nan 0.000 0.431 51 E N -0.249 119.967 120.200 0.026 0.000 2.392 51 E HA 0.401 4.751 4.350 -0.000 0.000 0.279 51 E C -1.887 174.692 176.600 -0.035 0.000 0.964 51 E CA -0.632 55.786 56.400 0.031 0.000 0.777 51 E CB 1.999 31.760 29.700 0.103 0.000 1.249 51 E HN -0.270 nan 8.360 nan 0.000 0.449 52 V N 4.151 124.021 119.914 -0.073 0.000 2.409 52 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 52 V C -0.340 175.555 176.094 -0.332 0.000 1.020 52 V CA -0.569 61.642 62.300 -0.148 0.000 0.848 52 V CB 1.277 33.043 31.823 -0.095 0.000 0.990 52 V HN 0.528 nan 8.190 nan 0.000 0.430 53 I N 6.324 126.620 120.570 -0.457 0.000 2.420 53 I HA 0.491 4.661 4.170 -0.000 0.000 0.282 53 I C -0.881 174.949 176.117 -0.479 0.000 1.019 53 I CA -0.270 60.569 61.300 -0.768 0.000 1.130 53 I CB 1.329 38.803 38.000 -0.877 0.000 1.262 53 I HN 0.340 nan 8.210 nan 0.000 0.454 54 L N 5.587 126.563 121.223 -0.412 0.000 2.372 54 L HA 0.570 4.910 4.340 -0.000 0.000 0.274 54 L C 0.619 177.381 176.870 -0.180 0.000 0.988 54 L CA -0.577 54.123 54.840 -0.234 0.000 0.833 54 L CB 1.963 43.932 42.059 -0.150 0.000 1.236 54 L HN 0.652 nan 8.230 nan 0.000 0.410 55 G N 2.233 110.944 108.800 -0.148 0.000 2.442 55 G HA2 0.417 4.376 3.960 -0.000 0.000 0.249 55 G HA3 0.417 4.376 3.960 -0.000 0.000 0.249 55 G C -0.749 174.112 174.900 -0.065 0.000 1.263 55 G CA 0.007 45.054 45.100 -0.090 0.000 0.846 55 G HN 0.637 nan 8.290 nan 0.000 0.555 56 Q N 1.670 121.445 119.800 -0.042 0.000 2.476 56 Q HA 0.190 4.530 4.340 -0.000 0.000 0.236 56 Q C -0.548 175.437 176.000 -0.024 0.000 0.844 56 Q CA -0.683 55.097 55.803 -0.037 0.000 0.972 56 Q CB 1.540 30.260 28.738 -0.029 0.000 1.498 56 Q HN 0.300 nan 8.270 nan 0.000 0.454 57 V N 4.163 124.056 119.914 -0.035 0.000 2.951 57 V HA 0.050 4.170 4.120 -0.000 0.000 0.255 57 V C 0.734 176.812 176.094 -0.027 0.000 1.088 57 V CA 0.870 63.151 62.300 -0.031 0.000 1.109 57 V CB 0.068 31.861 31.823 -0.051 0.000 0.724 57 V HN 0.689 nan 8.190 nan 0.000 0.471 58 L N 1.897 123.105 121.223 -0.026 0.000 2.732 58 L HA 0.311 4.651 4.340 -0.000 0.000 0.246 58 L C -1.742 175.127 176.870 -0.001 0.000 1.407 58 L CA -0.694 54.137 54.840 -0.016 0.000 0.861 58 L CB 1.207 43.253 42.059 -0.021 0.000 1.161 58 L HN 0.150 nan 8.230 nan 0.000 0.510 59 P HA 0.042 nan 4.420 nan 0.000 0.255 59 P C 0.762 178.076 177.300 0.024 0.000 1.248 59 P CA 0.109 63.220 63.100 0.018 0.000 0.807 59 P CB 0.368 32.079 31.700 0.018 0.000 1.150 60 A N 0.749 123.581 122.820 0.020 0.000 2.580 60 A HA 0.331 4.651 4.320 -0.000 0.000 0.244 60 A C 1.654 179.259 177.584 0.035 0.000 1.045 60 A CA 1.034 53.086 52.037 0.025 0.000 0.761 60 A CB -1.249 17.765 19.000 0.023 0.000 0.962 60 A HN 0.416 nan 8.150 nan 0.000 0.512 61 G N 1.525 110.348 108.800 0.037 0.000 2.253 61 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.251 61 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.251 61 G C 0.852 175.779 174.900 0.046 0.000 0.998 61 G CA 0.905 46.030 45.100 0.042 0.000 0.621 61 G HN 0.944 nan 8.290 nan 0.000 0.524 62 E N 0.799 121.029 120.200 0.050 0.000 2.482 62 E HA 0.394 4.744 4.350 -0.000 0.000 0.196 62 E C 1.358 177.985 176.600 0.045 0.000 1.047 62 E CA 1.126 57.568 56.400 0.071 0.000 0.869 62 E CB -0.229 29.530 29.700 0.099 0.000 0.836 62 E HN 1.808 nan 8.360 nan 0.000 0.520 63 G N 0.605 109.419 108.800 0.024 0.000 2.663 63 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.686 63 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.686 63 G C -0.904 173.988 174.900 -0.012 0.000 1.288 63 G CA -0.524 44.577 45.100 0.002 0.000 0.836 63 G HN 0.246 nan 8.290 nan 0.000 0.584 64 Q N 0.100 119.890 119.800 -0.017 0.000 2.310 64 Q HA 0.101 4.441 4.340 -0.000 0.000 0.315 64 Q C 1.143 177.127 176.000 -0.028 0.000 1.081 64 Q CA 0.720 56.513 55.803 -0.016 0.000 0.981 64 Q CB 0.204 28.933 28.738 -0.015 0.000 1.184 64 Q HN 0.905 nan 8.270 nan 0.000 0.389 65 N N 3.327 122.024 118.700 -0.006 0.000 2.843 65 N HA -0.181 4.559 4.740 -0.000 0.000 0.303 65 N C -2.247 173.247 175.510 -0.027 0.000 1.092 65 N CA -0.071 52.981 53.050 0.004 0.000 0.802 65 N CB 0.063 38.562 38.487 0.021 0.000 0.984 65 N HN 0.376 nan 8.380 nan 0.000 0.595 66 P HA -0.128 nan 4.420 nan 0.000 0.220 66 P C 0.976 178.261 177.300 -0.025 0.000 1.144 66 P CA 1.738 64.814 63.100 -0.041 0.000 0.800 66 P CB 0.048 31.769 31.700 0.035 0.000 0.772 67 A N -0.146 122.665 122.820 -0.016 0.000 1.898 67 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 67 A C 2.405 179.972 177.584 -0.028 0.000 1.181 67 A CA 1.738 53.757 52.037 -0.030 0.000 0.620 67 A CB -0.982 17.987 19.000 -0.053 0.000 0.819 67 A HN 0.007 nan 8.150 nan 0.000 0.442 68 R N 0.211 120.698 120.500 -0.022 0.000 2.081 68 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 68 R C 2.199 178.467 176.300 -0.053 0.000 1.131 68 R CA 2.146 58.232 56.100 -0.023 0.000 0.960 68 R CB -0.761 29.534 30.300 -0.009 0.000 0.856 68 R HN 0.688 nan 8.270 nan 0.000 0.436 69 Q N -0.577 119.152 119.800 -0.118 0.000 2.135 69 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 69 Q C 2.056 178.010 176.000 -0.077 0.000 0.981 69 Q CA 1.703 57.377 55.803 -0.215 0.000 0.856 69 Q CB -0.220 28.148 28.738 -0.618 0.000 0.902 69 Q HN 0.466 nan 8.270 nan 0.000 0.425 70 A N 1.287 124.110 122.820 0.005 0.000 1.873 70 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 70 A C 2.344 179.949 177.584 0.036 0.000 1.186 70 A CA 1.493 53.578 52.037 0.081 0.000 0.616 70 A CB -0.912 18.121 19.000 0.055 0.000 0.823 70 A HN 0.388 nan 8.150 nan 0.000 0.442 71 A N -0.353 122.469 122.820 0.005 0.000 1.849 71 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 71 A C 2.232 179.820 177.584 0.006 0.000 1.202 71 A CA 2.366 54.403 52.037 -0.001 0.000 0.629 71 A CB -0.633 18.361 19.000 -0.010 0.000 0.834 71 A HN 0.443 nan 8.150 nan 0.000 0.447 72 M N -0.519 119.081 119.600 0.001 0.000 2.080 72 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 72 M C 2.163 178.472 176.300 0.015 0.000 1.068 72 M CA 2.167 57.468 55.300 0.003 0.000 1.109 72 M CB -1.230 31.364 32.600 -0.009 0.000 1.342 72 M HN 0.587 nan 8.290 nan 0.000 0.405 73 K N 0.231 120.650 120.400 0.031 0.000 2.097 73 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 73 K C 1.661 178.286 176.600 0.041 0.000 1.049 73 K CA 1.454 57.773 56.287 0.052 0.000 0.933 73 K CB -0.023 32.542 32.500 0.109 0.000 0.717 73 K HN 0.275 nan 8.250 nan 0.000 0.442 74 A N -0.154 122.688 122.820 0.036 0.000 2.235 74 A HA 0.177 4.497 4.320 -0.000 0.000 0.208 74 A C 1.288 178.883 177.584 0.017 0.000 1.172 74 A CA 0.938 52.991 52.037 0.027 0.000 0.786 74 A CB -0.351 18.663 19.000 0.023 0.000 0.804 74 A HN 0.595 nan 8.150 nan 0.000 0.479 75 G N -1.942 106.867 108.800 0.015 0.000 2.194 75 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.236 75 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.236 75 G C 0.198 175.103 174.900 0.008 0.000 0.987 75 G CA -0.027 45.079 45.100 0.011 0.000 0.635 75 G HN 0.767 nan 8.290 nan 0.000 0.520 76 V N 4.050 123.969 119.914 0.008 0.000 2.450 76 V HA 0.306 4.426 4.120 -0.000 0.000 0.281 76 V C -0.707 175.391 176.094 0.006 0.000 1.019 76 V CA -0.775 61.529 62.300 0.006 0.000 1.062 76 V CB 0.600 32.425 31.823 0.003 0.000 0.979 76 V HN 0.301 nan 8.190 nan 0.000 0.477 77 P HA -0.047 nan 4.420 nan 0.000 0.270 77 P C 0.672 177.977 177.300 0.008 0.000 1.221 77 P CA -0.068 63.036 63.100 0.007 0.000 0.788 77 P CB 0.457 32.161 31.700 0.007 0.000 0.904 78 Q N -0.186 119.618 119.800 0.007 0.000 2.364 78 Q HA -0.165 4.175 4.340 -0.000 0.000 0.207 78 Q C 1.771 177.777 176.000 0.010 0.000 0.970 78 Q CA 1.160 56.968 55.803 0.007 0.000 0.888 78 Q CB -0.342 28.399 28.738 0.005 0.000 0.951 78 Q HN 0.522 nan 8.270 nan 0.000 0.469 79 E N 1.212 121.419 120.200 0.011 0.000 2.072 79 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 79 E C 0.633 177.244 176.600 0.018 0.000 0.982 79 E CA 0.569 56.977 56.400 0.012 0.000 0.803 79 E CB 0.030 29.736 29.700 0.011 0.000 0.755 79 E HN 0.467 nan 8.360 nan 0.000 0.453 80 A N 0.444 123.275 122.820 0.019 0.000 2.339 80 A HA 0.176 4.496 4.320 -0.000 0.000 0.272 80 A C 0.567 178.173 177.584 0.037 0.000 1.182 80 A CA 0.623 52.676 52.037 0.026 0.000 0.819 80 A CB 0.043 19.055 19.000 0.021 0.000 1.115 80 A HN 0.380 nan 8.150 nan 0.000 0.512 81 T N -3.794 110.794 114.554 0.057 0.000 2.887 81 T HA 0.800 5.149 4.350 -0.000 0.000 0.292 81 T C -0.595 174.169 174.700 0.107 0.000 1.087 81 T CA -0.098 62.053 62.100 0.085 0.000 1.009 81 T CB 1.669 70.607 68.868 0.116 0.000 1.203 81 T HN 2.149 nan 8.240 nan 0.000 0.518 82 A N 1.061 123.966 122.820 0.142 0.000 2.572 82 A HA 0.855 5.175 4.320 -0.000 0.000 0.295 82 A C -1.768 175.963 177.584 0.244 0.000 1.072 82 A CA -1.039 51.065 52.037 0.112 0.000 0.691 82 A CB 1.503 20.514 19.000 0.019 0.000 1.291 82 A HN 1.270 nan 8.150 nan 0.000 0.404 83 W N 0.714 122.002 121.300 -0.021 0.000 3.363 83 W HA 0.662 5.322 4.660 -0.000 0.000 0.306 83 W C -0.440 176.065 176.519 -0.023 0.000 1.253 83 W CA -0.781 56.551 57.345 -0.022 0.000 1.195 83 W CB 0.917 30.363 29.460 -0.022 0.000 1.366 83 W HN 1.227 nan 8.180 nan 0.000 0.551 84 G N 1.954 110.887 108.800 0.222 0.000 2.410 84 G HA2 0.782 4.742 3.960 -0.000 0.000 0.330 84 G HA3 0.782 4.742 3.960 -0.000 0.000 0.330 84 G C -1.089 173.940 174.900 0.215 0.000 1.142 84 G CA -0.966 44.185 45.100 0.085 0.000 0.902 84 G HN 0.627 nan 8.290 nan 0.000 0.491 85 M N 0.013 119.668 119.600 0.091 0.000 2.520 85 M HA 0.643 5.122 4.480 -0.000 0.000 0.283 85 M C -1.491 174.845 176.300 0.059 0.000 1.237 85 M CA -1.146 54.243 55.300 0.147 0.000 0.885 85 M CB 2.377 35.126 32.600 0.247 0.000 1.727 85 M HN 0.362 nan 8.290 nan 0.000 0.468 86 N N 1.053 119.796 118.700 0.071 0.000 2.410 86 N HA 0.439 5.179 4.740 -0.000 0.000 0.287 86 N C -1.772 173.766 175.510 0.047 0.000 1.044 86 N CA -0.155 52.918 53.050 0.039 0.000 0.881 86 N CB 2.102 40.605 38.487 0.027 0.000 1.405 86 N HN 0.937 nan 8.380 nan 0.000 0.490 87 Q N 4.876 124.700 119.800 0.039 0.000 2.227 87 Q HA 0.372 4.712 4.340 -0.000 0.000 0.332 87 Q C -0.432 175.594 176.000 0.043 0.000 0.878 87 Q CA -0.358 55.476 55.803 0.052 0.000 1.120 87 Q CB -0.066 28.711 28.738 0.065 0.000 1.315 87 Q HN 0.777 nan 8.270 nan 0.000 0.414 91 S N 1.064 116.777 115.700 0.022 0.000 2.427 91 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 91 S C 2.586 177.168 174.600 -0.030 0.000 1.045 91 S CA 2.377 60.573 58.200 -0.006 0.000 1.154 91 S CB -0.986 62.203 63.200 -0.017 0.000 1.093 91 S HN 0.922 nan 8.310 nan 0.000 0.422 92 G N 1.434 110.218 108.800 -0.027 0.000 2.606 92 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.221 92 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.221 92 G C 1.388 176.267 174.900 -0.035 0.000 1.152 92 G CA 1.538 46.618 45.100 -0.034 0.000 0.765 92 G HN 0.385 nan 8.290 nan 0.000 0.595 93 L N 0.105 121.323 121.223 -0.008 0.000 2.095 93 L HA 0.255 4.594 4.340 -0.000 0.000 0.204 93 L C 2.689 179.525 176.870 -0.056 0.000 1.080 93 L CA 1.628 56.464 54.840 -0.007 0.000 0.759 93 L CB -0.644 41.440 42.059 0.042 0.000 0.914 93 L HN 0.154 nan 8.230 nan 0.000 0.439 94 R N 0.493 120.960 120.500 -0.054 0.000 2.103 94 R HA -0.117 4.223 4.340 -0.000 0.000 0.242 94 R C 2.137 178.319 176.300 -0.196 0.000 1.142 94 R CA 1.744 57.769 56.100 -0.126 0.000 0.960 94 R CB -1.111 29.159 30.300 -0.050 0.000 0.858 94 R HN 0.467 nan 8.270 nan 0.000 0.439 95 A N -0.417 122.308 122.820 -0.158 0.000 1.917 95 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 95 A C 2.366 179.821 177.584 -0.216 0.000 1.182 95 A CA 1.931 53.840 52.037 -0.214 0.000 0.633 95 A CB -0.729 18.131 19.000 -0.233 0.000 0.819 95 A HN 0.185 nan 8.150 nan 0.000 0.448 96 V N -0.307 119.501 119.914 -0.176 0.000 2.343 96 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 96 V C 3.018 178.991 176.094 -0.203 0.000 1.051 96 V CA 1.868 64.077 62.300 -0.153 0.000 1.036 96 V CB -1.269 30.496 31.823 -0.096 0.000 0.654 96 V HN 0.625 nan 8.190 nan 0.000 0.451 97 A N -0.256 122.372 122.820 -0.320 0.000 1.902 97 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 97 A C 2.220 179.518 177.584 -0.477 0.000 1.181 97 A CA 1.704 53.398 52.037 -0.572 0.000 0.623 97 A CB -0.506 17.787 19.000 -1.178 0.000 0.818 97 A HN 0.490 nan 8.150 nan 0.000 0.443 98 L N -0.695 120.322 121.223 -0.343 0.000 2.056 98 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 98 L C 2.816 179.652 176.870 -0.057 0.000 1.078 98 L CA 1.117 55.869 54.840 -0.146 0.000 0.749 98 L CB -0.609 41.450 42.059 -0.000 0.000 0.901 98 L HN 0.476 nan 8.230 nan 0.000 0.433 99 G N -0.645 108.094 108.800 -0.101 0.000 2.418 99 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 99 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 99 G C 1.599 176.472 174.900 -0.045 0.000 1.158 99 G CA 0.698 45.761 45.100 -0.061 0.000 0.771 99 G HN 0.179 nan 8.290 nan 0.000 0.545 100 M N 0.836 120.388 119.600 -0.080 0.000 2.082 100 M HA -0.178 4.302 4.480 -0.000 0.000 0.258 100 M C 2.538 178.825 176.300 -0.021 0.000 1.069 100 M CA 2.003 57.272 55.300 -0.052 0.000 1.102 100 M CB -0.889 31.668 32.600 -0.072 0.000 1.336 100 M HN 0.412 nan 8.290 nan 0.000 0.404 101 Q N -0.379 119.401 119.800 -0.033 0.000 2.124 101 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 101 Q C 2.010 178.028 176.000 0.030 0.000 0.977 101 Q CA 1.375 57.186 55.803 0.014 0.000 0.850 101 Q CB -0.346 28.404 28.738 0.019 0.000 0.901 101 Q HN 0.561 nan 8.270 nan 0.000 0.429 102 Q N 0.666 120.489 119.800 0.037 0.000 2.077 102 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 102 Q C 2.133 178.154 176.000 0.035 0.000 0.989 102 Q CA 1.472 57.306 55.803 0.053 0.000 0.853 102 Q CB -0.378 28.406 28.738 0.077 0.000 0.907 102 Q HN 0.441 nan 8.270 nan 0.000 0.418 103 I N 0.641 121.225 120.570 0.024 0.000 2.163 103 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 103 I C 2.352 178.483 176.117 0.023 0.000 1.081 103 I CA 1.161 62.473 61.300 0.020 0.000 1.353 103 I CB -0.601 37.407 38.000 0.013 0.000 1.054 103 I HN 0.078 nan 8.210 nan 0.000 0.407 104 A N 0.340 123.176 122.820 0.026 0.000 1.948 104 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 104 A C 2.302 179.904 177.584 0.031 0.000 1.177 104 A CA 2.559 54.615 52.037 0.032 0.000 0.636 104 A CB -1.371 17.656 19.000 0.044 0.000 0.815 104 A HN 0.550 nan 8.150 nan 0.000 0.449 105 T N -4.250 110.322 114.554 0.031 0.000 3.107 105 T HA 0.410 4.760 4.350 -0.000 0.000 0.249 105 T C 1.217 175.930 174.700 0.022 0.000 1.096 105 T CA 0.959 63.075 62.100 0.027 0.000 1.012 105 T CB -0.171 68.714 68.868 0.028 0.000 0.977 105 T HN 1.776 nan 8.240 nan 0.000 0.527 106 G N 1.529 110.342 108.800 0.022 0.000 2.221 106 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.265 106 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.265 106 G C 0.346 175.257 174.900 0.018 0.000 1.041 106 G CA 0.270 45.381 45.100 0.018 0.000 0.807 106 G HN 0.528 nan 8.290 nan 0.000 0.502 107 D N -0.261 120.153 120.400 0.023 0.000 2.366 107 D HA 0.460 5.099 4.640 -0.000 0.000 0.205 107 D C 1.309 177.626 176.300 0.028 0.000 1.022 107 D CA 1.380 55.394 54.000 0.024 0.000 0.868 107 D CB 0.639 41.455 40.800 0.026 0.000 0.953 107 D HN 1.011 nan 8.370 nan 0.000 0.514 108 A N -0.922 121.915 122.820 0.028 0.000 2.610 108 A HA 0.539 4.858 4.320 -0.000 0.000 0.291 108 A C 0.252 177.848 177.584 0.021 0.000 1.086 108 A CA -0.372 51.682 52.037 0.028 0.000 0.677 108 A CB 1.303 20.326 19.000 0.039 0.000 1.278 108 A HN -0.130 nan 8.150 nan 0.000 0.414 109 S N -0.500 115.211 115.700 0.017 0.000 2.566 109 S HA 0.410 4.880 4.470 -0.000 0.000 0.234 109 S C 0.308 174.914 174.600 0.009 0.000 1.075 109 S CA 0.618 58.826 58.200 0.013 0.000 0.926 109 S CB 0.039 63.246 63.200 0.012 0.000 0.811 109 S HN 0.530 nan 8.310 nan 0.000 0.518 110 I N 2.340 122.916 120.570 0.009 0.000 2.499 110 I HA 0.421 4.591 4.170 -0.000 0.000 0.288 110 I C -1.494 174.623 176.117 0.000 0.000 1.048 110 I CA -0.481 60.821 61.300 0.003 0.000 1.062 110 I CB 2.012 40.015 38.000 0.004 0.000 1.238 110 I HN 0.071 nan 8.210 nan 0.000 0.426 111 I N 6.501 127.065 120.570 -0.010 0.000 2.647 111 I HA 0.425 4.595 4.170 -0.000 0.000 0.295 111 I C -0.430 175.663 176.117 -0.040 0.000 1.078 111 I CA -0.849 60.436 61.300 -0.025 0.000 1.048 111 I CB 2.281 40.262 38.000 -0.033 0.000 1.239 111 I HN 0.091 nan 8.210 nan 0.000 0.421 112 V N 4.410 124.291 119.914 -0.056 0.000 2.398 112 V HA 0.825 4.945 4.120 -0.000 0.000 0.286 112 V C 0.164 176.195 176.094 -0.107 0.000 1.026 112 V CA -0.382 61.881 62.300 -0.061 0.000 0.868 112 V CB 1.495 33.290 31.823 -0.048 0.000 0.982 112 V HN 0.915 nan 8.190 nan 0.000 0.443 113 A N 3.541 126.299 122.820 -0.104 0.000 2.515 113 A HA 1.047 5.367 4.320 -0.000 0.000 0.298 113 A C 0.066 177.582 177.584 -0.114 0.000 1.059 113 A CA 0.131 52.080 52.037 -0.147 0.000 0.698 113 A CB 2.148 21.053 19.000 -0.158 0.000 1.289 113 A HN 1.442 nan 8.150 nan 0.000 0.404 114 G N -0.548 108.171 108.800 -0.135 0.000 2.512 114 G HA2 0.661 4.621 3.960 -0.000 0.000 0.181 114 G HA3 0.661 4.621 3.960 -0.000 0.000 0.181 114 G C -0.208 174.629 174.900 -0.106 0.000 1.173 114 G CA 0.465 45.508 45.100 -0.094 0.000 0.988 114 G HN 2.085 nan 8.290 nan 0.000 0.485 115 G N -0.619 108.133 108.800 -0.079 0.000 2.677 115 G HA2 0.763 4.723 3.960 -0.000 0.000 0.291 115 G HA3 0.763 4.723 3.960 -0.000 0.000 0.291 115 G C -0.649 174.206 174.900 -0.076 0.000 1.435 115 G CA 0.030 45.081 45.100 -0.081 0.000 0.826 115 G HN 1.394 nan 8.290 nan 0.000 0.491 116 M N -0.541 119.012 119.600 -0.078 0.000 2.593 116 M HA 0.958 5.438 4.480 -0.000 0.000 0.290 116 M C -1.347 174.905 176.300 -0.079 0.000 1.244 116 M CA -1.026 54.221 55.300 -0.088 0.000 0.857 116 M CB 2.751 35.295 32.600 -0.094 0.000 1.738 116 M HN 0.515 nan 8.290 nan 0.000 0.461 117 E N 0.243 120.389 120.200 -0.090 0.000 2.400 117 E HA 0.457 4.807 4.350 -0.000 0.000 0.285 117 E C -2.056 174.507 176.600 -0.062 0.000 1.005 117 E CA -0.203 56.155 56.400 -0.070 0.000 0.816 117 E CB 2.440 32.093 29.700 -0.077 0.000 1.220 117 E HN 0.741 nan 8.360 nan 0.000 0.426 118 S N 4.583 120.262 115.700 -0.034 0.000 2.542 118 S HA 0.311 4.781 4.470 -0.000 0.000 0.245 118 S C 0.545 175.172 174.600 0.045 0.000 1.325 118 S CA -0.385 57.813 58.200 -0.003 0.000 1.176 118 S CB 0.140 63.330 63.200 -0.017 0.000 1.045 118 S HN 0.679 nan 8.310 nan 0.000 0.481 119 M N 1.823 121.473 119.600 0.083 0.000 2.229 119 M HA -0.040 4.439 4.480 -0.000 0.000 0.264 119 M C 2.253 178.750 176.300 0.328 0.000 1.063 119 M CA 1.116 56.506 55.300 0.150 0.000 1.114 119 M CB -0.394 32.246 32.600 0.066 0.000 1.387 119 M HN 0.540 nan 8.290 nan 0.000 0.420 120 S N 0.447 116.310 115.700 0.271 0.000 2.359 120 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 120 S C 1.698 176.319 174.600 0.035 0.000 1.035 120 S CA 1.177 59.407 58.200 0.049 0.000 1.018 120 S CB -0.135 63.040 63.200 -0.042 0.000 0.876 120 S HN 0.418 nan 8.310 nan 0.000 0.448 121 M N 1.090 120.719 119.600 0.050 0.000 2.682 121 M HA 0.242 4.722 4.480 -0.000 0.000 0.235 121 M C 0.615 176.949 176.300 0.057 0.000 1.114 121 M CA -0.108 55.216 55.300 0.040 0.000 1.053 121 M CB -1.578 31.035 32.600 0.023 0.000 1.599 121 M HN 0.141 nan 8.290 nan 0.000 0.520 122 A N 3.241 126.109 122.820 0.080 0.000 2.454 122 A HA 0.452 4.772 4.320 -0.000 0.000 0.260 122 A C -1.963 175.658 177.584 0.063 0.000 1.106 122 A CA -0.899 51.174 52.037 0.059 0.000 0.780 122 A CB -0.433 18.596 19.000 0.049 0.000 1.044 122 A HN 0.154 nan 8.150 nan 0.000 0.498 123 P HA 0.394 nan 4.420 nan 0.000 0.281 123 P C -0.866 176.482 177.300 0.080 0.000 1.281 123 P CA -0.337 62.823 63.100 0.099 0.000 0.811 123 P CB 0.682 32.436 31.700 0.089 0.000 1.154 124 H N -1.280 117.825 119.070 0.059 0.000 2.472 124 H HA 0.504 5.060 4.556 0.000 0.000 0.335 124 H C 0.260 175.631 175.328 0.071 0.000 1.136 124 H CA 0.029 56.116 56.048 0.065 0.000 1.264 124 H CB 0.546 30.345 29.762 0.063 0.000 1.486 124 H HN 0.642 nan 8.280 nan 0.000 0.517 125 C N 0.730 120.151 119.300 0.201 0.000 3.291 125 C HA 0.996 5.456 4.460 -0.000 0.000 0.316 125 C C -0.944 174.150 174.990 0.174 0.000 1.391 125 C CA -0.632 58.479 59.018 0.156 0.000 1.394 125 C CB 0.827 28.627 27.740 0.101 0.000 1.744 125 C HN 1.040 nan 8.230 nan 0.000 0.461 126 A N 0.210 123.124 122.820 0.157 0.000 2.589 126 A HA 0.678 4.998 4.320 -0.000 0.000 0.296 126 A C -1.278 176.364 177.584 0.096 0.000 1.062 126 A CA -0.248 51.882 52.037 0.155 0.000 0.686 126 A CB 0.752 19.894 19.000 0.237 0.000 1.282 126 A HN 1.386 nan 8.150 nan 0.000 0.404 127 H N 2.662 121.719 119.070 -0.023 0.000 2.723 127 H HA 0.533 5.088 4.556 -0.000 0.000 0.294 127 H C -0.780 174.474 175.328 -0.124 0.000 1.079 127 H CA -0.003 56.013 56.048 -0.052 0.000 1.411 127 H CB 0.603 30.343 29.762 -0.037 0.000 1.439 127 H HN 0.518 nan 8.280 nan 0.000 0.474 128 L N 5.482 126.424 121.223 -0.469 0.000 3.333 128 L HA 0.221 4.561 4.340 -0.000 0.000 0.299 128 L C 2.063 178.699 176.870 -0.389 0.000 1.256 128 L CA -0.162 54.403 54.840 -0.458 0.000 1.037 128 L CB 0.298 42.180 42.059 -0.294 0.000 1.423 128 L HN 0.584 nan 8.230 nan 0.000 0.605 129 R N 0.555 120.780 120.500 -0.459 0.000 2.092 129 R HA -0.037 4.303 4.340 -0.000 0.000 0.231 129 R C 2.148 178.336 176.300 -0.186 0.000 1.119 129 R CA 1.458 57.431 56.100 -0.212 0.000 0.970 129 R CB -0.186 30.084 30.300 -0.051 0.000 0.864 129 R HN 0.392 nan 8.270 nan 0.000 0.440 130 G N 0.237 108.879 108.800 -0.262 0.000 2.511 130 G HA2 0.174 4.134 3.960 -0.000 0.000 0.217 130 G HA3 0.174 4.134 3.960 -0.000 0.000 0.217 130 G C 0.541 175.351 174.900 -0.149 0.000 1.133 130 G CA 0.513 45.523 45.100 -0.150 0.000 0.792 130 G HN 0.601 nan 8.290 nan 0.000 0.539 131 G N -1.785 106.890 108.800 -0.210 0.000 2.746 131 G HA2 0.067 4.027 3.960 -0.000 0.000 0.685 131 G HA3 0.067 4.027 3.960 -0.000 0.000 0.685 131 G C -0.749 174.038 174.900 -0.188 0.000 1.350 131 G CA -0.439 44.555 45.100 -0.176 0.000 0.837 131 G HN 0.923 nan 8.290 nan 0.000 0.564 132 V N 2.368 122.183 119.914 -0.165 0.000 2.325 132 V HA 0.344 4.464 4.120 -0.000 0.000 0.280 132 V C 1.220 177.291 176.094 -0.038 0.000 1.016 132 V CA -0.607 61.619 62.300 -0.123 0.000 0.818 132 V CB 1.261 32.979 31.823 -0.174 0.000 1.019 132 V HN 0.800 nan 8.190 nan 0.000 0.434 133 K N 2.880 123.266 120.400 -0.024 0.000 2.097 133 K HA 0.066 4.386 4.320 -0.000 0.000 0.206 133 K C 0.440 177.049 176.600 0.016 0.000 1.049 133 K CA 1.393 57.677 56.287 -0.005 0.000 0.933 133 K CB 0.295 32.792 32.500 -0.005 0.000 0.717 133 K HN 0.624 nan 8.250 nan 0.000 0.442 134 M N -1.422 118.195 119.600 0.028 0.000 2.414 134 M HA 0.380 4.860 4.480 -0.000 0.000 0.287 134 M C -1.465 174.869 176.300 0.057 0.000 1.181 134 M CA 0.125 55.448 55.300 0.039 0.000 0.933 134 M CB 2.495 35.111 32.600 0.027 0.000 1.732 134 M HN 0.354 nan 8.290 nan 0.000 0.486 135 G N 2.547 111.388 108.800 0.067 0.000 2.619 135 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.686 135 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.686 135 G C -1.704 173.269 174.900 0.122 0.000 1.256 135 G CA -0.794 44.351 45.100 0.075 0.000 0.826 135 G HN 0.748 nan 8.290 nan 0.000 0.619 136 D N -0.290 120.161 120.400 0.085 0.000 2.357 136 D HA 0.662 5.302 4.640 -0.000 0.000 0.242 136 D C 0.545 176.932 176.300 0.146 0.000 1.153 136 D CA 0.859 54.887 54.000 0.047 0.000 0.918 136 D CB 0.777 41.571 40.800 -0.010 0.000 1.181 136 D HN 0.733 nan 8.370 nan 0.000 0.435 137 F N -2.141 117.818 119.950 0.015 0.000 2.626 137 F HA 0.562 5.090 4.527 0.000 0.000 0.311 137 F C -0.714 175.103 175.800 0.028 0.000 1.088 137 F CA -1.251 56.761 58.000 0.020 0.000 0.949 137 F CB 1.230 40.239 39.000 0.015 0.000 1.322 137 F HN -0.102 nan 8.300 nan 0.000 0.461 138 K N 2.579 123.091 120.400 0.185 0.000 2.156 138 K HA 0.453 4.772 4.320 -0.000 0.000 0.271 138 K C -0.781 175.930 176.600 0.184 0.000 0.995 138 K CA -0.865 55.478 56.287 0.093 0.000 0.890 138 K CB 1.378 33.946 32.500 0.114 0.000 1.073 138 K HN 0.555 nan 8.250 nan 0.000 0.454 139 M N 3.936 123.591 119.600 0.092 0.000 2.080 139 M HA 0.264 4.744 4.480 -0.000 0.000 0.350 139 M C -0.458 175.991 176.300 0.248 0.000 1.173 139 M CA -0.746 54.665 55.300 0.185 0.000 1.052 139 M CB 0.414 33.070 32.600 0.093 0.000 1.577 139 M HN 0.455 nan 8.290 nan 0.000 0.455 140 I N 3.002 123.700 120.570 0.213 0.000 2.395 140 I HA 0.066 4.236 4.170 -0.000 0.000 0.289 140 I C 0.750 176.868 176.117 0.003 0.000 1.023 140 I CA -0.183 61.194 61.300 0.129 0.000 1.350 140 I CB 0.560 38.612 38.000 0.087 0.000 1.409 140 I HN 0.457 nan 8.210 nan 0.000 0.507 141 D N 4.855 125.169 120.400 -0.144 0.000 2.359 141 D HA -0.019 4.621 4.640 -0.000 0.000 0.250 141 D C 1.414 177.590 176.300 -0.208 0.000 1.264 141 D CA 0.066 53.764 54.000 -0.502 0.000 0.911 141 D CB 0.981 41.582 40.800 -0.331 0.000 1.056 141 D HN 0.747 nan 8.370 nan 0.000 0.499 142 T N 1.458 115.920 114.554 -0.153 0.000 2.803 142 T HA -0.264 4.086 4.350 -0.000 0.000 0.269 142 T C 1.979 176.640 174.700 -0.066 0.000 1.052 142 T CA 1.102 63.160 62.100 -0.069 0.000 1.136 142 T CB -0.275 68.574 68.868 -0.032 0.000 0.864 142 T HN 0.531 nan 8.240 nan 0.000 0.467 143 M N 0.437 119.995 119.600 -0.070 0.000 2.117 143 M HA -0.035 4.445 4.480 -0.000 0.000 0.262 143 M C 1.959 178.216 176.300 -0.073 0.000 1.065 143 M CA 1.766 57.032 55.300 -0.057 0.000 1.114 143 M CB -0.275 32.304 32.600 -0.034 0.000 1.361 143 M HN 0.195 nan 8.290 nan 0.000 0.408 144 I N 0.391 120.923 120.570 -0.063 0.000 2.193 144 I HA -0.211 3.959 4.170 -0.000 0.000 0.240 144 I C 2.412 178.493 176.117 -0.061 0.000 1.084 144 I CA 1.254 62.527 61.300 -0.044 0.000 1.365 144 I CB -1.243 36.767 38.000 0.018 0.000 1.064 144 I HN 0.324 nan 8.210 nan 0.000 0.410 145 K N 1.810 122.181 120.400 -0.049 0.000 1.985 145 K HA -0.180 4.140 4.320 -0.000 0.000 0.210 145 K C 1.503 178.062 176.600 -0.069 0.000 1.047 145 K CA 1.874 58.132 56.287 -0.048 0.000 0.932 145 K CB -0.353 32.129 32.500 -0.030 0.000 0.716 145 K HN 0.180 nan 8.250 nan 0.000 0.439 146 D N -1.452 118.910 120.400 -0.063 0.000 2.347 146 D HA 0.041 4.681 4.640 -0.000 0.000 0.215 146 D C 1.383 177.639 176.300 -0.073 0.000 0.976 146 D CA 1.147 55.108 54.000 -0.063 0.000 0.884 146 D CB 0.448 41.221 40.800 -0.045 0.000 0.915 146 D HN 0.490 nan 8.370 nan 0.000 0.526 147 G N -0.327 108.421 108.800 -0.086 0.000 2.826 147 G HA2 0.133 4.093 3.960 -0.000 0.000 0.197 147 G HA3 0.133 4.093 3.960 -0.000 0.000 0.197 147 G C 1.006 175.829 174.900 -0.128 0.000 1.072 147 G CA -0.186 44.855 45.100 -0.098 0.000 0.733 147 G HN 0.195 nan 8.290 nan 0.000 0.674 148 L N 1.748 122.867 121.223 -0.173 0.000 3.110 148 L HA 0.380 4.720 4.340 -0.000 0.000 0.266 148 L C -0.351 176.279 176.870 -0.399 0.000 1.257 148 L CA 0.036 54.687 54.840 -0.316 0.000 1.038 148 L CB 1.080 42.871 42.059 -0.446 0.000 1.395 148 L HN -0.083 nan 8.230 nan 0.000 0.566 149 T N -0.734 113.696 114.554 -0.206 0.000 2.847 149 T HA 0.153 4.503 4.350 -0.000 0.000 0.291 149 T C -0.603 174.026 174.700 -0.119 0.000 0.998 149 T CA -0.492 61.528 62.100 -0.132 0.000 0.967 149 T CB 2.038 70.862 68.868 -0.073 0.000 0.954 149 T HN 0.018 nan 8.240 nan 0.000 0.441 150 D N 2.404 122.758 120.400 -0.077 0.000 2.487 150 D HA 0.247 4.887 4.640 -0.000 0.000 0.243 150 D C 1.154 177.298 176.300 -0.260 0.000 1.154 150 D CA 0.027 53.950 54.000 -0.129 0.000 0.876 150 D CB 0.667 41.439 40.800 -0.046 0.000 1.161 150 D HN 0.591 nan 8.370 nan 0.000 0.478 151 A N 3.462 125.987 122.820 -0.492 0.000 2.168 151 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 151 A C 1.262 178.440 177.584 -0.675 0.000 1.152 151 A CA 0.625 52.299 52.037 -0.605 0.000 0.716 151 A CB -0.387 18.211 19.000 -0.669 0.000 0.794 151 A HN 0.612 nan 8.150 nan 0.000 0.465 152 F N -2.754 117.140 119.950 -0.094 0.000 2.317 152 F HA 0.159 4.686 4.527 -0.000 0.000 0.290 152 F C 1.576 177.105 175.800 -0.452 0.000 1.075 152 F CA 0.515 58.374 58.000 -0.236 0.000 1.380 152 F CB -0.508 38.385 39.000 -0.177 0.000 1.093 152 F HN 0.231 nan 8.300 nan 0.000 0.524 153 Y N -0.451 119.705 120.300 -0.241 0.000 2.444 153 Y HA 0.412 4.962 4.550 -0.001 0.000 0.249 153 Y C 1.983 177.619 175.900 -0.440 0.000 1.134 153 Y CA 0.009 57.834 58.100 -0.458 0.000 1.261 153 Y CB 0.050 37.927 38.460 -0.972 0.000 1.143 153 Y HN 0.158 nan 8.280 nan 0.000 0.523 154 G N 0.119 108.792 108.800 -0.211 0.000 2.189 154 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.267 154 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.267 154 G C -0.013 174.890 174.900 0.004 0.000 0.975 154 G CA 0.718 45.759 45.100 -0.097 0.000 0.644 154 G HN 0.442 nan 8.290 nan 0.000 0.537 155 Y N -0.664 119.695 120.300 0.098 0.000 2.480 155 Y HA 0.816 5.366 4.550 -0.001 0.000 0.323 155 Y C 0.647 176.587 175.900 0.066 0.000 1.267 155 Y CA -2.794 55.361 58.100 0.091 0.000 1.336 155 Y CB 0.256 38.767 38.460 0.084 0.000 1.361 155 Y HN 0.259 nan 8.280 nan 0.000 0.518 156 H N 1.750 120.968 119.070 0.246 0.000 2.607 156 H HA 0.141 4.697 4.556 -0.000 0.000 0.367 156 H C 1.042 176.330 175.328 -0.066 0.000 1.181 156 H CA -0.142 55.947 56.048 0.067 0.000 1.402 156 H CB 1.194 30.989 29.762 0.056 0.000 1.474 156 H HN 0.789 nan 8.280 nan 0.000 0.596 157 M N 2.638 122.218 119.600 -0.032 0.000 2.149 157 M HA -0.115 4.365 4.480 -0.000 0.000 0.261 157 M C 2.353 178.433 176.300 -0.366 0.000 1.064 157 M CA 1.406 56.706 55.300 -0.001 0.000 1.102 157 M CB -1.639 31.071 32.600 0.183 0.000 1.369 157 M HN 0.813 nan 8.290 nan 0.000 0.408 158 G N 0.032 108.486 108.800 -0.577 0.000 2.513 158 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 158 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 158 G C 1.554 175.820 174.900 -1.057 0.000 1.160 158 G CA 1.840 45.832 45.100 -1.847 0.000 0.767 158 G HN 0.422 nan 8.290 nan 0.000 0.571 159 T N 1.019 115.174 114.554 -0.664 0.000 2.746 159 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 159 T C 2.810 177.172 174.700 -0.562 0.000 1.039 159 T CA 2.365 64.130 62.100 -0.558 0.000 1.142 159 T CB -0.713 67.683 68.868 -0.786 0.000 0.866 159 T HN 0.635 nan 8.240 nan 0.000 0.444 160 T N 1.025 115.317 114.554 -0.437 0.000 2.803 160 T HA -0.059 4.291 4.350 -0.000 0.000 0.269 160 T C 2.187 176.689 174.700 -0.330 0.000 1.052 160 T CA 1.256 63.199 62.100 -0.263 0.000 1.136 160 T CB -0.553 68.264 68.868 -0.086 0.000 0.864 160 T HN 0.344 nan 8.240 nan 0.000 0.467 161 A N 1.907 124.385 122.820 -0.570 0.000 1.873 161 A HA -0.065 4.254 4.320 -0.000 0.000 0.215 161 A C 2.472 179.857 177.584 -0.330 0.000 1.186 161 A CA 1.403 53.099 52.037 -0.569 0.000 0.616 161 A CB -0.585 17.733 19.000 -1.137 0.000 0.823 161 A HN 0.495 nan 8.150 nan 0.000 0.442 162 E N 0.552 120.553 120.200 -0.331 0.000 2.118 162 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 162 E C 1.676 178.185 176.600 -0.152 0.000 0.992 162 E CA 1.251 57.533 56.400 -0.196 0.000 0.804 162 E CB -0.430 29.161 29.700 -0.182 0.000 0.741 162 E HN 0.575 nan 8.360 nan 0.000 0.458 163 N N 0.493 119.081 118.700 -0.187 0.000 2.120 163 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 163 N C 2.019 177.506 175.510 -0.037 0.000 1.024 163 N CA 0.776 53.753 53.050 -0.121 0.000 0.852 163 N CB -0.400 38.004 38.487 -0.139 0.000 1.003 163 N HN 0.025 nan 8.380 nan 0.000 0.424 164 V N 1.457 121.354 119.914 -0.027 0.000 2.453 164 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 164 V C 2.391 178.557 176.094 0.119 0.000 1.048 164 V CA 1.489 63.842 62.300 0.087 0.000 1.049 164 V CB -0.904 30.921 31.823 0.003 0.000 0.672 164 V HN 0.267 nan 8.190 nan 0.000 0.457 165 A N 0.478 123.308 122.820 0.016 0.000 1.859 165 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 165 A C 2.258 179.881 177.584 0.064 0.000 1.198 165 A CA 2.427 54.483 52.037 0.031 0.000 0.629 165 A CB -0.549 18.443 19.000 -0.014 0.000 0.830 165 A HN 0.556 nan 8.150 nan 0.000 0.446 166 K N -0.871 119.544 120.400 0.024 0.000 2.032 166 K HA -0.222 4.097 4.320 -0.000 0.000 0.209 166 K C 2.441 179.053 176.600 0.021 0.000 1.048 166 K CA 1.702 57.997 56.287 0.013 0.000 0.927 166 K CB -0.236 32.255 32.500 -0.015 0.000 0.712 166 K HN 0.647 nan 8.250 nan 0.000 0.441 167 Q N -0.502 119.318 119.800 0.033 0.000 2.124 167 Q HA -0.165 4.174 4.340 -0.000 0.000 0.202 167 Q C 1.019 176.974 176.000 -0.076 0.000 0.977 167 Q CA 1.460 57.251 55.803 -0.021 0.000 0.850 167 Q CB 0.053 28.796 28.738 0.007 0.000 0.901 167 Q HN 0.420 nan 8.270 nan 0.000 0.429 168 W N 0.933 122.208 121.300 -0.042 0.000 3.316 168 W HA 0.179 4.839 4.660 -0.000 0.000 0.327 168 W C -0.215 176.287 176.519 -0.029 0.000 1.232 168 W CA -0.101 57.222 57.345 -0.036 0.000 1.805 168 W CB 0.511 29.946 29.460 -0.042 0.000 1.090 168 W HN 0.135 nan 8.180 nan 0.000 0.654 169 Q N 0.601 120.477 119.800 0.127 0.000 2.443 169 Q HA -0.221 4.119 4.340 -0.000 0.000 0.337 169 Q C -0.583 175.474 176.000 0.095 0.000 1.401 169 Q CA 0.599 56.448 55.803 0.076 0.000 0.943 169 Q CB -2.230 26.530 28.738 0.037 0.000 1.177 169 Q HN 0.370 nan 8.270 nan 0.000 0.394 170 L N 1.263 122.545 121.223 0.099 0.000 2.272 170 L HA 0.261 4.600 4.340 -0.000 0.000 0.284 170 L C 1.092 177.990 176.870 0.048 0.000 1.045 170 L CA -0.438 54.446 54.840 0.073 0.000 0.842 170 L CB 1.051 43.144 42.059 0.056 0.000 1.224 170 L HN 0.309 nan 8.230 nan 0.000 0.430 171 S N 2.209 117.937 115.700 0.046 0.000 2.580 171 S HA 0.016 4.486 4.470 -0.000 0.000 0.261 171 S C 1.267 175.891 174.600 0.040 0.000 1.366 171 S CA -0.218 58.005 58.200 0.038 0.000 0.996 171 S CB 1.094 64.317 63.200 0.037 0.000 0.902 171 S HN 0.713 nan 8.310 nan 0.000 0.566 172 R N 0.961 121.483 120.500 0.037 0.000 2.081 172 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 172 R C 1.520 177.849 176.300 0.049 0.000 1.131 172 R CA 2.380 58.505 56.100 0.041 0.000 0.960 172 R CB -1.266 29.054 30.300 0.033 0.000 0.856 172 R HN 0.811 nan 8.270 nan 0.000 0.436 173 D N 0.184 120.611 120.400 0.045 0.000 2.144 173 D HA -0.177 4.462 4.640 -0.000 0.000 0.199 173 D C 1.614 177.951 176.300 0.062 0.000 0.984 173 D CA 1.432 55.460 54.000 0.047 0.000 0.834 173 D CB -0.124 40.699 40.800 0.039 0.000 0.955 173 D HN 0.565 nan 8.370 nan 0.000 0.465 174 E N 0.671 120.910 120.200 0.065 0.000 2.072 174 E HA -0.173 4.177 4.350 -0.000 0.000 0.190 174 E C 1.964 178.629 176.600 0.109 0.000 0.982 174 E CA 0.808 57.257 56.400 0.081 0.000 0.803 174 E CB 0.174 29.914 29.700 0.067 0.000 0.755 174 E HN 0.264 nan 8.360 nan 0.000 0.453 175 Q N 0.268 120.120 119.800 0.087 0.000 2.046 175 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 175 Q C 1.925 178.019 176.000 0.156 0.000 0.975 175 Q CA 1.422 57.286 55.803 0.102 0.000 0.836 175 Q CB -0.016 28.761 28.738 0.065 0.000 0.896 175 Q HN 0.262 nan 8.270 nan 0.000 0.428 176 D N 0.774 121.241 120.400 0.111 0.000 2.116 176 D HA -0.185 4.455 4.640 -0.000 0.000 0.193 176 D C 1.822 178.184 176.300 0.103 0.000 0.998 176 D CA 1.524 55.582 54.000 0.097 0.000 0.836 176 D CB -0.319 40.520 40.800 0.065 0.000 0.951 176 D HN 0.281 nan 8.370 nan 0.000 0.449 177 A N 0.366 123.248 122.820 0.104 0.000 1.873 177 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 177 A C 2.213 179.858 177.584 0.101 0.000 1.193 177 A CA 1.516 53.605 52.037 0.086 0.000 0.629 177 A CB -1.230 17.823 19.000 0.088 0.000 0.826 177 A HN 0.291 nan 8.150 nan 0.000 0.447 178 F N 0.907 120.870 119.950 0.022 0.000 2.120 178 F HA -0.164 4.363 4.527 -0.001 0.000 0.300 178 F C 2.544 178.355 175.800 0.018 0.000 1.095 178 F CA 1.383 59.396 58.000 0.022 0.000 1.249 178 F CB -0.455 38.560 39.000 0.026 0.000 0.995 178 F HN 0.272 nan 8.300 nan 0.000 0.480 179 A N -0.064 122.904 122.820 0.247 0.000 1.865 179 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 179 A C 2.310 179.897 177.584 0.005 0.000 1.191 179 A CA 2.303 54.425 52.037 0.142 0.000 0.623 179 A CB -1.449 17.635 19.000 0.140 0.000 0.826 179 A HN 0.262 nan 8.150 nan 0.000 0.444 180 V N 0.098 120.013 119.914 0.002 0.000 2.252 180 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 180 V C 3.066 179.117 176.094 -0.071 0.000 1.056 180 V CA 2.247 64.530 62.300 -0.027 0.000 1.022 180 V CB -1.582 30.234 31.823 -0.011 0.000 0.641 180 V HN 0.653 nan 8.190 nan 0.000 0.445 181 A N -0.255 122.498 122.820 -0.112 0.000 1.873 181 A HA -0.306 4.013 4.320 -0.000 0.000 0.218 181 A C 2.583 180.052 177.584 -0.191 0.000 1.193 181 A CA 2.665 54.604 52.037 -0.162 0.000 0.629 181 A CB -1.068 17.798 19.000 -0.224 0.000 0.826 181 A HN 0.534 nan 8.150 nan 0.000 0.447 182 S N -1.144 114.397 115.700 -0.265 0.000 2.399 182 S HA -0.202 4.268 4.470 -0.000 0.000 0.231 182 S C 2.114 176.660 174.600 -0.090 0.000 1.022 182 S CA 1.612 59.698 58.200 -0.190 0.000 0.983 182 S CB -0.404 62.694 63.200 -0.170 0.000 0.803 182 S HN 0.604 nan 8.310 nan 0.000 0.480 183 Q N 1.096 120.849 119.800 -0.077 0.000 2.020 183 Q HA -0.033 4.307 4.340 -0.000 0.000 0.198 183 Q C 2.037 177.995 176.000 -0.071 0.000 0.974 183 Q CA 1.485 57.250 55.803 -0.064 0.000 0.829 183 Q CB -0.849 27.851 28.738 -0.063 0.000 0.894 183 Q HN 0.720 nan 8.270 nan 0.000 0.433 184 N N 0.791 119.446 118.700 -0.074 0.000 2.069 184 N HA -0.162 4.578 4.740 -0.000 0.000 0.191 184 N C 1.790 177.258 175.510 -0.069 0.000 1.031 184 N CA 0.981 53.987 53.050 -0.073 0.000 0.852 184 N CB -0.021 38.426 38.487 -0.066 0.000 1.018 184 N HN 0.151 nan 8.380 nan 0.000 0.423 185 K N 0.375 120.734 120.400 -0.069 0.000 2.148 185 K HA 0.007 4.326 4.320 -0.000 0.000 0.204 185 K C 1.993 178.592 176.600 -0.002 0.000 1.050 185 K CA 0.855 57.110 56.287 -0.054 0.000 0.942 185 K CB 0.026 32.484 32.500 -0.070 0.000 0.724 185 K HN 0.170 nan 8.250 nan 0.000 0.446 186 A N 1.063 123.898 122.820 0.024 0.000 1.970 186 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 186 A C 1.986 179.638 177.584 0.114 0.000 1.170 186 A CA 0.991 53.109 52.037 0.135 0.000 0.645 186 A CB -0.138 18.907 19.000 0.075 0.000 0.816 186 A HN 0.188 nan 8.150 nan 0.000 0.447 187 E N 0.185 120.359 120.200 -0.043 0.000 2.072 187 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 187 E C 2.242 178.778 176.600 -0.107 0.000 0.982 187 E CA 0.963 57.257 56.400 -0.177 0.000 0.803 187 E CB -0.163 29.371 29.700 -0.277 0.000 0.755 187 E HN 0.484 nan 8.360 nan 0.000 0.453 188 A N 1.376 124.153 122.820 -0.071 0.000 1.877 188 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 188 A C 2.399 179.942 177.584 -0.068 0.000 1.186 188 A CA 2.102 54.099 52.037 -0.066 0.000 0.620 188 A CB -0.675 18.285 19.000 -0.066 0.000 0.822 188 A HN 0.334 nan 8.150 nan 0.000 0.443 189 A N -0.881 121.893 122.820 -0.077 0.000 1.930 189 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 189 A C 2.212 179.709 177.584 -0.146 0.000 1.175 189 A CA 1.755 53.661 52.037 -0.218 0.000 0.627 189 A CB -0.541 18.182 19.000 -0.461 0.000 0.815 189 A HN 0.691 nan 8.150 nan 0.000 0.443 190 Q N -0.123 119.764 119.800 0.145 0.000 2.119 190 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 190 Q C 1.782 177.838 176.000 0.093 0.000 0.972 190 Q CA 1.512 57.477 55.803 0.270 0.000 0.847 190 Q CB -0.123 28.781 28.738 0.276 0.000 0.903 190 Q HN 0.607 nan 8.270 nan 0.000 0.433 191 K N 0.377 120.790 120.400 0.022 0.000 2.097 191 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 191 K C 0.947 177.546 176.600 -0.003 0.000 1.049 191 K CA 1.274 57.566 56.287 0.009 0.000 0.933 191 K CB 0.069 32.559 32.500 -0.016 0.000 0.717 191 K HN 0.352 nan 8.250 nan 0.000 0.442 192 D N -0.222 120.159 120.400 -0.032 0.000 2.319 192 D HA 0.054 4.694 4.640 -0.000 0.000 0.230 192 D C 0.983 177.255 176.300 -0.047 0.000 1.094 192 D CA 0.485 54.459 54.000 -0.043 0.000 0.856 192 D CB 0.408 41.169 40.800 -0.065 0.000 0.915 192 D HN 0.370 nan 8.370 nan 0.000 0.517 193 G N 1.734 110.517 108.800 -0.028 0.000 2.155 193 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.257 193 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.257 193 G C 1.187 176.046 174.900 -0.069 0.000 0.983 193 G CA 0.014 45.102 45.100 -0.019 0.000 0.676 193 G HN 0.329 nan 8.290 nan 0.000 0.528 194 R N -1.138 119.257 120.500 -0.175 0.000 2.293 194 R HA 0.038 4.377 4.340 -0.000 0.000 0.219 194 R C 1.407 177.471 176.300 -0.393 0.000 1.091 194 R CA 1.235 57.144 56.100 -0.319 0.000 1.004 194 R CB -0.227 29.785 30.300 -0.480 0.000 0.865 194 R HN 0.508 nan 8.270 nan 0.000 0.469 195 F N -0.234 119.694 119.950 -0.037 0.000 2.704 195 F HA 0.161 4.688 4.527 -0.000 0.000 0.304 195 F C 2.064 177.802 175.800 -0.102 0.000 1.094 195 F CA -0.124 57.841 58.000 -0.058 0.000 1.275 195 F CB 0.064 39.045 39.000 -0.031 0.000 1.073 195 F HN -0.181 nan 8.300 nan 0.000 0.586 196 K N 0.725 121.156 120.400 0.052 0.000 2.097 196 K HA -0.176 4.143 4.320 -0.000 0.000 0.206 196 K C 1.254 177.789 176.600 -0.108 0.000 1.049 196 K CA 1.944 58.226 56.287 -0.008 0.000 0.933 196 K CB -0.059 32.439 32.500 -0.002 0.000 0.717 196 K HN 0.096 nan 8.250 nan 0.000 0.442 197 D N 0.831 121.116 120.400 -0.191 0.000 2.117 197 D HA -0.191 4.449 4.640 -0.000 0.000 0.198 197 D C 1.917 177.748 176.300 -0.781 0.000 0.982 197 D CA 1.491 55.275 54.000 -0.360 0.000 0.828 197 D CB -0.196 40.448 40.800 -0.261 0.000 0.967 197 D HN 0.564 nan 8.370 nan 0.000 0.464 198 E N 0.964 120.617 120.200 -0.911 0.000 2.072 198 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 198 E C 0.976 177.389 176.600 -0.312 0.000 0.985 198 E CA 0.419 56.305 56.400 -0.857 0.000 0.801 198 E CB -0.252 29.223 29.700 -0.375 0.000 0.750 198 E HN 0.222 nan 8.360 nan 0.000 0.452 199 I N 1.931 122.410 120.570 -0.153 0.000 2.754 199 I HA -0.006 4.163 4.170 -0.000 0.000 0.285 199 I C -0.141 175.953 176.117 -0.039 0.000 1.166 199 I CA -0.174 61.098 61.300 -0.047 0.000 1.417 199 I CB 1.484 39.489 38.000 0.010 0.000 1.382 199 I HN -0.015 nan 8.210 nan 0.000 0.588 200 V N 8.428 128.347 119.914 0.009 0.000 2.409 200 V HA 0.455 4.575 4.120 -0.000 0.000 0.290 200 V C -2.338 173.804 176.094 0.079 0.000 1.017 200 V CA -2.111 60.208 62.300 0.031 0.000 0.841 200 V CB 1.707 33.552 31.823 0.037 0.000 1.003 200 V HN 0.515 nan 8.190 nan 0.000 0.426 201 P HA 0.086 nan 4.420 nan 0.000 0.264 201 P C -1.312 176.081 177.300 0.156 0.000 1.179 201 P CA 0.447 63.610 63.100 0.106 0.000 0.763 201 P CB 0.106 31.837 31.700 0.052 0.000 0.806 202 F N 3.903 123.885 119.950 0.053 0.000 2.493 202 F HA 0.426 4.952 4.527 -0.001 0.000 0.329 202 F C -0.608 175.218 175.800 0.043 0.000 1.126 202 F CA -1.086 56.920 58.000 0.011 0.000 0.937 202 F CB 0.829 39.788 39.000 -0.069 0.000 1.146 202 F HN 0.082 nan 8.300 nan 0.000 0.442 203 I N 7.672 127.749 120.570 -0.822 0.000 2.308 203 I HA 0.117 4.287 4.170 -0.000 0.000 0.293 203 I C -0.269 175.422 176.117 -0.709 0.000 1.078 203 I CA -0.378 60.583 61.300 -0.565 0.000 1.292 203 I CB 0.704 38.465 38.000 -0.398 0.000 1.423 203 I HN 0.274 nan 8.210 nan 0.000 0.493 204 V N 7.793 127.569 119.914 -0.230 0.000 2.364 204 V HA 0.048 4.168 4.120 -0.000 0.000 0.252 204 V C 1.042 177.103 176.094 -0.054 0.000 1.075 204 V CA -0.719 61.578 62.300 -0.005 0.000 1.033 204 V CB -0.623 31.316 31.823 0.193 0.000 1.116 204 V HN 0.537 nan 8.190 nan 0.000 0.488 205 K N 4.389 124.734 120.400 -0.092 0.000 2.395 205 K HA 0.183 4.503 4.320 -0.000 0.000 0.283 205 K C 0.714 177.305 176.600 -0.015 0.000 1.068 205 K CA 0.247 56.496 56.287 -0.062 0.000 1.039 205 K CB 0.912 33.374 32.500 -0.063 0.000 0.924 205 K HN 0.821 nan 8.250 nan 0.000 0.468 206 G N 2.098 110.889 108.800 -0.015 0.000 2.642 206 G HA2 0.298 4.258 3.960 -0.000 0.000 0.291 206 G HA3 0.298 4.258 3.960 -0.000 0.000 0.291 206 G C 0.702 175.598 174.900 -0.006 0.000 1.345 206 G CA -0.414 44.685 45.100 -0.002 0.000 1.043 206 G HN 0.542 nan 8.290 nan 0.000 0.528 207 R N -1.068 119.430 120.500 -0.003 0.000 2.306 207 R HA 0.212 4.551 4.340 -0.000 0.000 0.183 207 R C 0.669 176.966 176.300 -0.005 0.000 0.937 207 R CA 0.225 56.323 56.100 -0.003 0.000 1.118 207 R CB 0.073 30.372 30.300 -0.001 0.000 1.224 207 R HN 0.354 nan 8.270 nan 0.000 0.597 208 K N 1.444 121.842 120.400 -0.003 0.000 2.969 208 K HA 0.374 4.694 4.320 -0.000 0.000 0.222 208 K C -0.552 176.045 176.600 -0.005 0.000 1.172 208 K CA 0.304 56.589 56.287 -0.004 0.000 1.192 208 K CB 1.019 33.517 32.500 -0.003 0.000 1.111 208 K HN 0.557 nan 8.250 nan 0.000 0.457 209 G N 1.118 109.914 108.800 -0.007 0.000 2.764 209 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.678 209 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.678 209 G C -1.767 173.127 174.900 -0.010 0.000 1.341 209 G CA -1.167 43.928 45.100 -0.008 0.000 0.836 209 G HN 0.099 nan 8.290 nan 0.000 0.632 210 D N 0.467 120.857 120.400 -0.017 0.000 2.210 210 D HA 0.649 5.289 4.640 -0.000 0.000 0.249 210 D C 0.503 176.792 176.300 -0.019 0.000 1.078 210 D CA 0.140 54.124 54.000 -0.027 0.000 0.875 210 D CB 1.553 42.327 40.800 -0.043 0.000 1.175 210 D HN 0.460 nan 8.370 nan 0.000 0.440 211 I N 1.410 121.973 120.570 -0.012 0.000 2.436 211 I HA 0.159 4.329 4.170 -0.000 0.000 0.289 211 I C 0.093 176.217 176.117 0.012 0.000 1.010 211 I CA -0.552 60.752 61.300 0.007 0.000 1.098 211 I CB 2.024 40.041 38.000 0.027 0.000 1.266 211 I HN 0.038 nan 8.210 nan 0.000 0.434 212 T N 5.819 120.380 114.554 0.011 0.000 2.749 212 T HA 0.334 4.684 4.350 -0.000 0.000 0.295 212 T C -0.114 174.633 174.700 0.077 0.000 0.936 212 T CA -0.275 61.839 62.100 0.022 0.000 1.060 212 T CB 0.878 69.749 68.868 0.005 0.000 0.904 212 T HN 0.167 nan 8.240 nan 0.000 0.500 213 V N 4.727 124.739 119.914 0.163 0.000 2.370 213 V HA 0.387 4.507 4.120 -0.000 0.000 0.283 213 V C 0.319 176.527 176.094 0.190 0.000 1.023 213 V CA -0.630 61.787 62.300 0.195 0.000 0.857 213 V CB 1.489 33.521 31.823 0.348 0.000 0.985 213 V HN 1.034 nan 8.190 nan 0.000 0.443 214 D N 2.491 122.957 120.400 0.111 0.000 2.563 214 D HA 0.387 5.027 4.640 -0.000 0.000 0.256 214 D C -0.045 176.295 176.300 0.065 0.000 1.400 214 D CA 0.249 54.305 54.000 0.094 0.000 0.800 214 D CB 0.718 41.559 40.800 0.068 0.000 1.145 214 D HN 0.600 nan 8.370 nan 0.000 0.501 215 A N 0.141 122.988 122.820 0.045 0.000 2.414 215 A HA 0.531 4.850 4.320 -0.000 0.000 0.306 215 A C -1.000 176.575 177.584 -0.015 0.000 1.054 215 A CA -0.802 51.250 52.037 0.024 0.000 0.724 215 A CB 1.187 20.209 19.000 0.036 0.000 1.267 215 A HN 0.013 nan 8.150 nan 0.000 0.418 216 D N 2.236 122.606 120.400 -0.050 0.000 2.363 216 D HA 0.053 4.692 4.640 -0.000 0.000 0.263 216 D C 1.270 177.558 176.300 -0.019 0.000 1.258 216 D CA 0.450 54.404 54.000 -0.075 0.000 0.907 216 D CB 0.962 41.646 40.800 -0.193 0.000 1.107 216 D HN 0.781 nan 8.370 nan 0.000 0.495 217 E N 2.067 122.248 120.200 -0.031 0.000 2.285 217 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 217 E C 1.312 177.947 176.600 0.058 0.000 0.997 217 E CA 0.396 56.788 56.400 -0.012 0.000 0.845 217 E CB -0.188 29.469 29.700 -0.072 0.000 0.782 217 E HN 0.467 nan 8.360 nan 0.000 0.491 218 Y N 1.781 122.048 120.300 -0.055 0.000 2.509 218 Y HA 0.126 4.676 4.550 -0.001 0.000 0.293 218 Y C 0.584 176.485 175.900 0.002 0.000 1.133 218 Y CA -0.028 58.057 58.100 -0.025 0.000 1.283 218 Y CB 0.107 38.551 38.460 -0.025 0.000 1.001 218 Y HN -0.084 nan 8.280 nan 0.000 0.555 219 I N 3.164 123.733 120.570 -0.002 0.000 2.692 219 I HA -0.006 4.164 4.170 -0.000 0.000 0.284 219 I C 0.310 176.436 176.117 0.014 0.000 1.159 219 I CA 0.270 61.547 61.300 -0.040 0.000 1.423 219 I CB 0.438 38.436 38.000 -0.002 0.000 1.380 219 I HN 0.085 nan 8.210 nan 0.000 0.580 220 R N 4.766 125.244 120.500 -0.037 0.000 2.295 220 R HA 0.449 4.789 4.340 -0.000 0.000 0.324 220 R C -1.133 175.234 176.300 0.113 0.000 0.968 220 R CA -0.902 55.227 56.100 0.049 0.000 0.837 220 R CB 0.751 31.012 30.300 -0.065 0.000 1.133 220 R HN 0.472 nan 8.270 nan 0.000 0.450 221 H N 1.738 120.776 119.070 -0.054 0.000 2.764 221 H HA 0.228 4.784 4.556 -0.000 0.000 0.341 221 H C 1.248 176.556 175.328 -0.034 0.000 1.072 221 H CA 0.841 56.869 56.048 -0.034 0.000 1.444 221 H CB 1.135 30.882 29.762 -0.025 0.000 1.458 221 H HN 1.014 nan 8.280 nan 0.000 0.572 222 G N 1.597 110.428 108.800 0.053 0.000 2.249 222 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.273 222 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.273 222 G C 0.458 175.361 174.900 0.006 0.000 1.036 222 G CA 0.059 45.173 45.100 0.023 0.000 0.824 222 G HN 0.953 nan 8.290 nan 0.000 0.504 223 A N 0.161 122.977 122.820 -0.007 0.000 2.546 223 A HA 0.592 4.912 4.320 -0.000 0.000 0.243 223 A C 1.016 178.593 177.584 -0.011 0.000 1.063 223 A CA 1.442 53.471 52.037 -0.014 0.000 0.757 223 A CB 0.254 19.237 19.000 -0.028 0.000 0.991 223 A HN 1.997 nan 8.150 nan 0.000 0.503 224 T N 1.023 115.573 114.554 -0.007 0.000 2.918 224 T HA 0.432 4.782 4.350 -0.000 0.000 0.286 224 T C 0.795 175.495 174.700 -0.000 0.000 1.026 224 T CA -0.519 61.579 62.100 -0.004 0.000 1.031 224 T CB 0.997 69.864 68.868 -0.002 0.000 1.046 224 T HN 0.648 nan 8.240 nan 0.000 0.479 225 L N 1.650 122.874 121.223 0.003 0.000 2.156 225 L HA 0.126 4.466 4.340 -0.000 0.000 0.208 225 L C 1.946 178.822 176.870 0.010 0.000 1.095 225 L CA 1.844 56.689 54.840 0.009 0.000 0.770 225 L CB -0.733 41.332 42.059 0.010 0.000 0.914 225 L HN 0.752 nan 8.230 nan 0.000 0.439 226 D N -0.646 119.758 120.400 0.006 0.000 2.123 226 D HA -0.184 4.455 4.640 -0.000 0.000 0.196 226 D C 2.380 178.684 176.300 0.005 0.000 0.992 226 D CA 1.720 55.723 54.000 0.006 0.000 0.833 226 D CB -0.193 40.609 40.800 0.004 0.000 0.954 226 D HN 0.561 nan 8.370 nan 0.000 0.455 227 S N -0.012 115.690 115.700 0.003 0.000 2.383 227 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 227 S C 2.006 176.609 174.600 0.005 0.000 1.026 227 S CA 0.826 59.027 58.200 0.002 0.000 0.981 227 S CB -0.254 62.944 63.200 -0.002 0.000 0.818 227 S HN 0.047 nan 8.310 nan 0.000 0.472 228 M N 2.700 122.305 119.600 0.009 0.000 2.086 228 M HA 0.186 4.665 4.480 -0.000 0.000 0.261 228 M C 2.172 178.484 176.300 0.020 0.000 1.067 228 M CA 1.622 56.932 55.300 0.016 0.000 1.116 228 M CB -0.925 31.688 32.600 0.022 0.000 1.348 228 M HN 0.443 nan 8.290 nan 0.000 0.407 229 A N -1.264 121.567 122.820 0.018 0.000 2.167 229 A HA -0.057 4.262 4.320 -0.000 0.000 0.214 229 A C 1.955 179.547 177.584 0.012 0.000 1.151 229 A CA 1.044 53.092 52.037 0.018 0.000 0.735 229 A CB -0.568 18.442 19.000 0.017 0.000 0.802 229 A HN 0.552 nan 8.150 nan 0.000 0.467 230 K N -0.509 119.897 120.400 0.009 0.000 2.367 230 K HA 0.282 4.602 4.320 -0.000 0.000 0.194 230 K C -0.191 176.410 176.600 0.002 0.000 1.027 230 K CA -0.181 56.108 56.287 0.005 0.000 1.075 230 K CB 0.087 32.588 32.500 0.003 0.000 0.845 230 K HN 0.414 nan 8.250 nan 0.000 0.529 231 L N 1.599 122.824 121.223 0.004 0.000 2.439 231 L HA 0.178 4.518 4.340 -0.000 0.000 0.269 231 L C 0.347 177.214 176.870 -0.005 0.000 1.179 231 L CA -0.305 54.534 54.840 -0.001 0.000 0.828 231 L CB 0.444 42.505 42.059 0.002 0.000 1.106 231 L HN -0.026 nan 8.230 nan 0.000 0.467 232 R N 1.929 122.419 120.500 -0.017 0.000 2.457 232 R HA 0.339 4.679 4.340 -0.000 0.000 0.284 232 R C -2.317 173.959 176.300 -0.040 0.000 1.024 232 R CA -1.511 54.574 56.100 -0.024 0.000 1.025 232 R CB 0.652 30.935 30.300 -0.029 0.000 1.063 232 R HN 0.334 nan 8.270 nan 0.000 0.493 233 P HA -0.014 nan 4.420 nan 0.000 0.264 233 P C -0.556 176.668 177.300 -0.127 0.000 1.193 233 P CA 0.311 63.384 63.100 -0.044 0.000 0.763 233 P CB 1.057 32.748 31.700 -0.014 0.000 0.810 234 A N 2.142 124.811 122.820 -0.252 0.000 2.081 234 A HA 0.074 4.394 4.320 -0.000 0.000 0.214 234 A C 0.993 178.114 177.584 -0.772 0.000 1.158 234 A CA 0.954 52.650 52.037 -0.567 0.000 0.724 234 A CB -0.730 17.767 19.000 -0.838 0.000 0.826 234 A HN 0.502 nan 8.150 nan 0.000 0.463 235 F N -1.038 118.868 119.950 -0.074 0.000 2.577 235 F HA 0.260 4.787 4.527 0.000 0.000 0.276 235 F C 0.374 176.130 175.800 -0.073 0.000 1.032 235 F CA -0.496 57.447 58.000 -0.095 0.000 1.297 235 F CB 0.339 39.252 39.000 -0.145 0.000 1.061 235 F HN 0.020 nan 8.300 nan 0.000 0.680 236 D N 0.752 121.211 120.400 0.099 0.000 2.349 236 D HA 0.196 4.836 4.640 -0.000 0.000 0.232 236 D C 0.880 177.186 176.300 0.009 0.000 1.071 236 D CA -0.077 53.942 54.000 0.032 0.000 0.832 236 D CB 1.602 42.406 40.800 0.008 0.000 1.086 236 D HN -0.239 nan 8.370 nan 0.000 0.504 237 K N 1.976 122.378 120.400 0.003 0.000 2.113 237 K HA -0.182 4.137 4.320 -0.000 0.000 0.208 237 K C 1.019 177.616 176.600 -0.005 0.000 1.047 237 K CA 1.336 57.619 56.287 -0.006 0.000 0.928 237 K CB -0.015 32.484 32.500 -0.001 0.000 0.716 237 K HN 0.683 nan 8.250 nan 0.000 0.446 238 E N -0.874 119.326 120.200 -0.001 0.000 2.651 238 E HA 0.251 4.601 4.350 -0.000 0.000 0.213 238 E C 0.476 177.077 176.600 0.001 0.000 1.028 238 E CA -0.415 55.985 56.400 -0.000 0.000 1.183 238 E CB 0.278 29.978 29.700 0.001 0.000 1.188 238 E HN 0.099 nan 8.360 nan 0.000 0.444 239 G N -0.093 108.709 108.800 0.003 0.000 2.535 239 G HA2 0.156 4.116 3.960 -0.000 0.000 0.282 239 G HA3 0.156 4.116 3.960 -0.000 0.000 0.282 239 G C 0.242 175.151 174.900 0.016 0.000 1.350 239 G CA -0.030 45.075 45.100 0.009 0.000 1.039 239 G HN 0.127 nan 8.290 nan 0.000 0.509 240 T N -1.511 113.058 114.554 0.024 0.000 2.975 240 T HA 0.230 4.580 4.350 -0.000 0.000 0.261 240 T C 0.458 175.193 174.700 0.059 0.000 0.984 240 T CA -0.087 62.032 62.100 0.033 0.000 0.911 240 T CB 0.080 68.963 68.868 0.023 0.000 1.127 240 T HN 0.154 nan 8.240 nan 0.000 0.514 241 V N 3.545 123.511 119.914 0.087 0.000 2.498 241 V HA 0.557 4.677 4.120 -0.000 0.000 0.279 241 V C 0.685 176.875 176.094 0.161 0.000 1.048 241 V CA -0.276 62.124 62.300 0.166 0.000 0.967 241 V CB 1.170 33.133 31.823 0.233 0.000 0.988 241 V HN 0.612 nan 8.190 nan 0.000 0.473 242 T N 1.587 116.230 114.554 0.149 0.000 2.831 242 T HA 0.676 5.026 4.350 -0.000 0.000 0.287 242 T C 1.003 175.760 174.700 0.094 0.000 1.070 242 T CA -0.028 62.111 62.100 0.065 0.000 1.010 242 T CB 1.872 70.762 68.868 0.037 0.000 1.264 242 T HN 0.596 nan 8.240 nan 0.000 0.532 243 A N -0.006 122.830 122.820 0.027 0.000 2.015 243 A HA 0.262 4.582 4.320 -0.000 0.000 0.219 243 A C 2.250 179.883 177.584 0.081 0.000 1.163 243 A CA 1.697 53.766 52.037 0.053 0.000 0.646 243 A CB -1.506 17.506 19.000 0.021 0.000 0.806 243 A HN 1.127 nan 8.150 nan 0.000 0.448 244 G N 0.425 109.261 108.800 0.061 0.000 2.511 244 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.217 244 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.217 244 G C 0.898 175.847 174.900 0.082 0.000 1.133 244 G CA 0.964 46.095 45.100 0.052 0.000 0.792 244 G HN 0.750 nan 8.290 nan 0.000 0.539 245 N N -0.129 118.640 118.700 0.116 0.000 2.234 245 N HA 0.492 5.232 4.740 -0.000 0.000 0.227 245 N C 0.109 175.724 175.510 0.175 0.000 1.151 245 N CA 0.051 53.189 53.050 0.147 0.000 0.865 245 N CB 0.577 39.152 38.487 0.146 0.000 1.066 245 N HN 0.236 nan 8.380 nan 0.000 0.515 246 A N -0.058 122.855 122.820 0.154 0.000 2.384 246 A HA 0.767 5.086 4.320 -0.000 0.000 0.312 246 A C 0.228 177.783 177.584 -0.049 0.000 1.113 246 A CA -0.545 51.532 52.037 0.067 0.000 0.779 246 A CB 0.866 20.021 19.000 0.258 0.000 1.307 246 A HN 0.344 nan 8.150 nan 0.000 0.436 247 S N 0.097 115.630 115.700 -0.279 0.000 2.617 247 S HA 0.631 5.101 4.470 -0.000 0.000 0.259 247 S C 0.595 175.192 174.600 -0.006 0.000 1.301 247 S CA 0.034 58.168 58.200 -0.109 0.000 0.984 247 S CB 0.739 63.827 63.200 -0.186 0.000 0.954 247 S HN 1.535 nan 8.310 nan 0.000 0.572 248 G N -0.858 107.929 108.800 -0.021 0.000 2.601 248 G HA2 0.600 4.559 3.960 -0.000 0.000 0.317 248 G HA3 0.600 4.559 3.960 -0.000 0.000 0.317 248 G C -1.073 173.669 174.900 -0.264 0.000 1.246 248 G CA -1.302 43.687 45.100 -0.186 0.000 1.012 248 G HN 0.707 nan 8.290 nan 0.000 0.494 249 L N 1.055 122.076 121.223 -0.336 0.000 2.257 249 L HA 0.435 4.775 4.340 -0.000 0.000 0.290 249 L C -0.375 176.334 176.870 -0.268 0.000 1.044 249 L CA -0.485 54.109 54.840 -0.410 0.000 0.810 249 L CB 0.936 42.472 42.059 -0.871 0.000 1.193 249 L HN 0.465 nan 8.230 nan 0.000 0.425 250 N N 1.060 119.653 118.700 -0.179 0.000 2.732 250 N HA 0.511 5.251 4.740 -0.000 0.000 0.259 250 N C -1.745 173.763 175.510 -0.004 0.000 1.402 250 N CA -0.912 52.078 53.050 -0.101 0.000 0.829 250 N CB 1.803 40.167 38.487 -0.204 0.000 1.495 250 N HN 0.365 nan 8.380 nan 0.000 0.511 251 D N -0.674 119.760 120.400 0.056 0.000 2.350 251 D HA 0.799 5.439 4.640 -0.000 0.000 0.238 251 D C -0.140 176.234 176.300 0.124 0.000 0.989 251 D CA -0.285 53.781 54.000 0.111 0.000 0.921 251 D CB 1.858 42.797 40.800 0.232 0.000 1.297 251 D HN 0.661 nan 8.370 nan 0.000 0.490 252 G N -1.157 107.651 108.800 0.013 0.000 2.340 252 G HA2 0.603 4.563 3.960 -0.000 0.000 0.300 252 G HA3 0.603 4.563 3.960 -0.000 0.000 0.300 252 G C -2.001 172.831 174.900 -0.113 0.000 1.488 252 G CA -0.251 44.833 45.100 -0.027 0.000 0.878 252 G HN 0.603 nan 8.290 nan 0.000 0.618 253 A N -0.820 121.925 122.820 -0.126 0.000 2.515 253 A HA 1.131 5.451 4.320 -0.000 0.000 0.298 253 A C -0.231 177.314 177.584 -0.065 0.000 1.059 253 A CA 0.244 52.211 52.037 -0.117 0.000 0.698 253 A CB 1.663 20.560 19.000 -0.173 0.000 1.289 253 A HN 2.610 nan 8.150 nan 0.000 0.404 254 A N 0.184 122.978 122.820 -0.044 0.000 2.574 254 A HA 1.024 5.343 4.320 -0.000 0.000 0.297 254 A C -0.491 177.084 177.584 -0.014 0.000 1.062 254 A CA 0.103 52.134 52.037 -0.010 0.000 0.686 254 A CB 1.282 20.291 19.000 0.014 0.000 1.285 254 A HN 2.695 nan 8.150 nan 0.000 0.403 255 A N -0.031 122.794 122.820 0.008 0.000 2.599 255 A HA 1.014 5.334 4.320 -0.000 0.000 0.290 255 A C -0.592 177.004 177.584 0.019 0.000 1.101 255 A CA -0.020 52.013 52.037 -0.007 0.000 0.674 255 A CB 1.038 20.023 19.000 -0.025 0.000 1.277 255 A HN 2.617 nan 8.150 nan 0.000 0.419 256 A N 0.347 123.165 122.820 -0.003 0.000 2.435 256 A HA 0.726 5.046 4.320 -0.000 0.000 0.304 256 A C -1.133 176.444 177.584 -0.012 0.000 1.064 256 A CA -0.431 51.607 52.037 0.002 0.000 0.727 256 A CB 1.268 20.261 19.000 -0.012 0.000 1.284 256 A HN 1.431 nan 8.150 nan 0.000 0.415 257 L N 3.756 124.977 121.223 -0.003 0.000 2.265 257 L HA 0.477 4.816 4.340 -0.000 0.000 0.289 257 L C -1.460 175.402 176.870 -0.014 0.000 1.033 257 L CA -0.621 54.214 54.840 -0.008 0.000 0.814 257 L CB 0.755 42.816 42.059 0.003 0.000 1.203 257 L HN 0.541 nan 8.230 nan 0.000 0.423 258 L N 6.497 127.709 121.223 -0.019 0.000 2.331 258 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 258 L C 0.057 176.921 176.870 -0.009 0.000 1.022 258 L CA -0.436 54.394 54.840 -0.017 0.000 0.812 258 L CB 1.469 43.512 42.059 -0.027 0.000 1.257 258 L HN 0.780 nan 8.230 nan 0.000 0.435 259 M N 0.029 119.626 119.600 -0.005 0.000 2.790 259 M HA 0.466 4.946 4.480 -0.000 0.000 0.272 259 M C -0.452 175.851 176.300 0.004 0.000 1.168 259 M CA -0.698 54.602 55.300 0.001 0.000 0.829 259 M CB 2.045 34.646 32.600 0.002 0.000 1.675 259 M HN 0.451 nan 8.290 nan 0.000 0.505 260 S N -0.187 115.518 115.700 0.007 0.000 2.569 260 S HA 0.066 4.536 4.470 -0.000 0.000 0.274 260 S C 0.674 175.280 174.600 0.010 0.000 1.353 260 S CA 0.422 58.628 58.200 0.010 0.000 1.023 260 S CB 1.020 64.227 63.200 0.012 0.000 0.876 260 S HN 0.947 nan 8.310 nan 0.000 0.540 261 E N 1.342 121.549 120.200 0.012 0.000 2.077 261 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 261 E C 2.185 178.792 176.600 0.011 0.000 0.989 261 E CA 1.090 57.497 56.400 0.012 0.000 0.800 261 E CB -0.546 29.164 29.700 0.016 0.000 0.746 261 E HN 0.835 nan 8.360 nan 0.000 0.452 262 A N 1.107 123.934 122.820 0.011 0.000 1.883 262 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 262 A C 2.041 179.630 177.584 0.009 0.000 1.186 262 A CA 1.928 53.971 52.037 0.010 0.000 0.624 262 A CB -0.692 18.314 19.000 0.011 0.000 0.822 262 A HN 0.404 nan 8.150 nan 0.000 0.444 263 E N 0.195 120.400 120.200 0.009 0.000 2.058 263 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 263 E C 1.995 178.599 176.600 0.007 0.000 0.997 263 E CA 1.744 58.148 56.400 0.008 0.000 0.801 263 E CB -0.444 29.260 29.700 0.008 0.000 0.746 263 E HN 0.477 nan 8.360 nan 0.000 0.450 264 A N 0.117 122.940 122.820 0.006 0.000 1.908 264 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 264 A C 2.493 180.080 177.584 0.005 0.000 1.181 264 A CA 2.038 54.077 52.037 0.004 0.000 0.627 264 A CB -1.134 17.867 19.000 0.002 0.000 0.818 264 A HN 0.348 nan 8.150 nan 0.000 0.445 265 S N -0.967 114.737 115.700 0.006 0.000 2.368 265 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 265 S C 2.135 176.739 174.600 0.006 0.000 1.030 265 S CA 1.324 59.528 58.200 0.006 0.000 0.999 265 S CB -0.313 62.891 63.200 0.007 0.000 0.844 265 S HN 0.615 nan 8.310 nan 0.000 0.459 266 R N 0.237 120.741 120.500 0.007 0.000 2.152 266 R HA 0.031 4.371 4.340 -0.000 0.000 0.232 266 R C 1.965 178.269 176.300 0.006 0.000 1.117 266 R CA 1.190 57.294 56.100 0.007 0.000 0.981 266 R CB -0.137 30.167 30.300 0.007 0.000 0.870 266 R HN 0.322 nan 8.270 nan 0.000 0.451 267 R N -0.591 119.913 120.500 0.006 0.000 2.334 267 R HA 0.129 4.469 4.340 -0.000 0.000 0.216 267 R C 0.736 177.040 176.300 0.007 0.000 0.905 267 R CA 0.455 56.559 56.100 0.007 0.000 1.064 267 R CB 0.789 31.093 30.300 0.007 0.000 1.046 267 R HN 0.286 nan 8.270 nan 0.000 0.508 268 G N 1.765 110.569 108.800 0.006 0.000 2.221 268 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.265 268 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.265 268 G C 0.082 174.986 174.900 0.006 0.000 1.041 268 G CA 0.037 45.141 45.100 0.006 0.000 0.807 268 G HN 0.260 nan 8.290 nan 0.000 0.502 269 I N -0.240 120.333 120.570 0.005 0.000 2.499 269 I HA 0.309 4.478 4.170 -0.000 0.000 0.296 269 I C 0.531 176.648 176.117 0.000 0.000 0.992 269 I CA -0.667 60.635 61.300 0.004 0.000 1.297 269 I CB 1.588 39.590 38.000 0.003 0.000 1.410 269 I HN -0.012 nan 8.210 nan 0.000 0.507 270 Q N 6.774 126.572 119.800 -0.003 0.000 2.466 270 Q HA 0.369 4.709 4.340 -0.000 0.000 0.242 270 Q C -2.380 173.607 176.000 -0.021 0.000 1.046 270 Q CA -1.815 53.983 55.803 -0.009 0.000 0.841 270 Q CB 1.216 29.950 28.738 -0.007 0.000 1.193 270 Q HN 0.283 nan 8.270 nan 0.000 0.508 271 P HA -0.012 nan 4.420 nan 0.000 0.267 271 P C 0.706 177.970 177.300 -0.061 0.000 1.200 271 P CA -0.417 62.663 63.100 -0.034 0.000 0.772 271 P CB 0.838 32.527 31.700 -0.019 0.000 0.855 272 L N 0.499 121.664 121.223 -0.095 0.000 2.313 272 L HA 0.226 4.565 4.340 -0.000 0.000 0.214 272 L C 1.313 178.128 176.870 -0.091 0.000 1.119 272 L CA 1.412 56.161 54.840 -0.151 0.000 0.809 272 L CB -1.684 40.217 42.059 -0.263 0.000 0.933 272 L HN 0.710 nan 8.230 nan 0.000 0.449 273 G N -0.910 107.862 108.800 -0.047 0.000 2.328 273 G HA2 0.230 4.190 3.960 -0.000 0.000 0.299 273 G HA3 0.230 4.190 3.960 -0.000 0.000 0.299 273 G C -1.286 173.621 174.900 0.012 0.000 1.435 273 G CA -0.915 44.182 45.100 -0.005 0.000 0.865 273 G HN -0.022 nan 8.290 nan 0.000 0.601 274 R N -0.245 120.280 120.500 0.041 0.000 2.532 274 R HA 0.672 5.012 4.340 -0.000 0.000 0.295 274 R C -0.246 176.086 176.300 0.054 0.000 0.968 274 R CA -0.905 55.221 56.100 0.045 0.000 0.916 274 R CB 0.930 31.265 30.300 0.057 0.000 1.124 274 R HN 0.412 nan 8.270 nan 0.000 0.463 275 I N 5.641 126.234 120.570 0.038 0.000 2.294 275 I HA 0.007 4.177 4.170 -0.000 0.000 0.295 275 I C 1.369 177.501 176.117 0.025 0.000 1.098 275 I CA -0.159 61.164 61.300 0.038 0.000 1.277 275 I CB 1.468 39.489 38.000 0.036 0.000 1.434 275 I HN 0.563 nan 8.210 nan 0.000 0.498 276 V N 5.270 125.171 119.914 -0.022 0.000 2.649 276 V HA 0.004 4.124 4.120 -0.000 0.000 0.248 276 V C 0.898 176.907 176.094 -0.141 0.000 1.054 276 V CA 1.818 64.056 62.300 -0.103 0.000 1.073 276 V CB 0.158 31.891 31.823 -0.150 0.000 0.699 276 V HN 0.882 nan 8.190 nan 0.000 0.463 277 S N -1.137 114.492 115.700 -0.119 0.000 2.655 277 S HA 0.580 5.050 4.470 -0.000 0.000 0.266 277 S C -1.351 173.307 174.600 0.096 0.000 1.149 277 S CA -0.247 57.913 58.200 -0.066 0.000 0.818 277 S CB 1.358 64.420 63.200 -0.230 0.000 1.130 277 S HN 1.262 nan 8.310 nan 0.000 0.476 278 W N -0.047 121.206 121.300 -0.079 0.000 3.059 278 W HA 0.786 5.446 4.660 -0.000 0.000 0.329 278 W C -1.917 174.586 176.519 -0.026 0.000 1.246 278 W CA -0.679 56.641 57.345 -0.041 0.000 1.190 278 W CB 0.803 30.250 29.460 -0.021 0.000 1.423 278 W HN 1.562 nan 8.180 nan 0.000 0.571 279 A N 1.221 123.903 122.820 -0.231 0.000 2.608 279 A HA 0.739 5.059 4.320 -0.000 0.000 0.292 279 A C -1.622 175.928 177.584 -0.057 0.000 1.066 279 A CA -0.386 51.333 52.037 -0.529 0.000 0.676 279 A CB 1.629 20.433 19.000 -0.326 0.000 1.277 279 A HN 0.910 nan 8.150 nan 0.000 0.413 280 T N 0.124 114.621 114.554 -0.094 0.000 3.032 280 T HA 0.624 4.974 4.350 -0.000 0.000 0.312 280 T C -1.784 172.930 174.700 0.023 0.000 1.078 280 T CA -0.227 61.932 62.100 0.099 0.000 1.028 280 T CB 1.063 70.102 68.868 0.285 0.000 1.091 280 T HN 1.366 nan 8.240 nan 0.000 0.457 281 V N 3.045 122.983 119.914 0.041 0.000 3.012 281 V HA 0.836 4.955 4.120 -0.000 0.000 0.307 281 V C 0.666 176.786 176.094 0.043 0.000 1.166 281 V CA -0.742 61.571 62.300 0.022 0.000 0.974 281 V CB 2.302 34.124 31.823 -0.000 0.000 1.040 281 V HN 1.077 nan 8.190 nan 0.000 0.428 282 G N 1.114 109.935 108.800 0.035 0.000 2.412 282 G HA2 0.763 4.722 3.960 -0.000 0.000 0.318 282 G HA3 0.763 4.722 3.960 -0.000 0.000 0.318 282 G C -0.601 174.319 174.900 0.034 0.000 1.146 282 G CA -0.057 45.068 45.100 0.042 0.000 0.882 282 G HN 1.296 nan 8.290 nan 0.000 0.501 283 V N -1.653 118.286 119.914 0.042 0.000 3.181 283 V HA 0.616 4.736 4.120 -0.000 0.000 0.307 283 V C -0.699 175.421 176.094 0.043 0.000 1.310 283 V CA -1.225 61.098 62.300 0.039 0.000 1.067 283 V CB 1.673 33.525 31.823 0.047 0.000 1.081 283 V HN 0.599 nan 8.190 nan 0.000 0.453 284 D N 1.634 122.058 120.400 0.040 0.000 2.487 284 D HA 0.228 4.868 4.640 -0.000 0.000 0.243 284 D C -1.671 174.672 176.300 0.071 0.000 1.154 284 D CA -1.054 52.973 54.000 0.045 0.000 0.876 284 D CB 1.947 42.767 40.800 0.032 0.000 1.161 284 D HN 0.437 nan 8.370 nan 0.000 0.478 285 P HA -0.138 nan 4.420 nan 0.000 0.218 285 P C 1.090 178.456 177.300 0.110 0.000 1.148 285 P CA 1.298 64.512 63.100 0.190 0.000 0.822 285 P CB 0.259 32.196 31.700 0.395 0.000 0.784 286 K N -0.272 120.123 120.400 -0.010 0.000 2.063 286 K HA -0.065 4.254 4.320 -0.000 0.000 0.208 286 K C 1.177 177.761 176.600 -0.026 0.000 1.048 286 K CA 1.687 57.910 56.287 -0.107 0.000 0.928 286 K CB -0.486 31.870 32.500 -0.241 0.000 0.713 286 K HN 0.172 nan 8.250 nan 0.000 0.442 287 V N -0.280 119.635 119.914 0.002 0.000 2.802 287 V HA 0.140 4.260 4.120 -0.000 0.000 0.350 287 V C 1.099 177.215 176.094 0.036 0.000 1.233 287 V CA -0.447 61.862 62.300 0.016 0.000 1.337 287 V CB -0.107 31.744 31.823 0.046 0.000 1.497 287 V HN 0.197 nan 8.190 nan 0.000 0.616 288 M N 0.580 120.207 119.600 0.046 0.000 2.260 288 M HA 0.104 4.584 4.480 -0.000 0.000 0.261 288 M C 1.795 178.129 176.300 0.056 0.000 1.066 288 M CA 2.562 57.901 55.300 0.065 0.000 1.082 288 M CB -1.274 31.379 32.600 0.088 0.000 1.388 288 M HN 0.332 nan 8.290 nan 0.000 0.419 289 G N 0.301 109.122 108.800 0.034 0.000 2.462 289 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.220 289 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.220 289 G C 1.643 176.538 174.900 -0.008 0.000 1.121 289 G CA 1.368 46.481 45.100 0.021 0.000 0.758 289 G HN 0.714 nan 8.290 nan 0.000 0.559 290 T N -1.521 113.037 114.554 0.007 0.000 3.035 290 T HA 0.187 4.537 4.350 -0.000 0.000 0.268 290 T C 2.378 177.090 174.700 0.021 0.000 1.109 290 T CA 1.199 63.304 62.100 0.008 0.000 1.119 290 T CB -0.306 68.610 68.868 0.081 0.000 0.900 290 T HN 0.273 nan 8.240 nan 0.000 0.503 291 G N 3.151 111.975 108.800 0.039 0.000 2.843 291 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.232 291 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.232 291 G C -0.447 174.482 174.900 0.048 0.000 1.186 291 G CA 1.344 46.476 45.100 0.052 0.000 0.766 291 G HN 0.487 nan 8.290 nan 0.000 0.647 292 P HA -0.091 nan 4.420 nan 0.000 0.218 292 P C 1.851 179.166 177.300 0.026 0.000 1.146 292 P CA 0.996 64.136 63.100 0.066 0.000 0.820 292 P CB -0.152 31.603 31.700 0.092 0.000 0.778 293 I N 0.568 121.128 120.570 -0.016 0.000 2.090 293 I HA -0.151 4.019 4.170 -0.000 0.000 0.236 293 I C -0.331 175.769 176.117 -0.029 0.000 1.064 293 I CA 1.865 63.132 61.300 -0.055 0.000 1.324 293 I CB -2.347 35.627 38.000 -0.044 0.000 1.044 293 I HN 0.040 nan 8.210 nan 0.000 0.399 294 P HA -0.128 nan 4.420 nan 0.000 0.217 294 P C 1.412 178.710 177.300 -0.003 0.000 1.151 294 P CA 1.989 65.087 63.100 -0.003 0.000 0.828 294 P CB 0.003 31.707 31.700 0.006 0.000 0.788 295 A N 0.106 122.936 122.820 0.016 0.000 1.872 295 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 295 A C 2.489 180.090 177.584 0.029 0.000 1.187 295 A CA 1.904 53.954 52.037 0.020 0.000 0.614 295 A CB -1.481 17.554 19.000 0.059 0.000 0.826 295 A HN 0.137 nan 8.150 nan 0.000 0.442 296 S N -0.199 115.538 115.700 0.062 0.000 2.353 296 S HA -0.207 4.263 4.470 -0.000 0.000 0.222 296 S C 2.093 176.729 174.600 0.060 0.000 1.035 296 S CA 1.571 59.835 58.200 0.106 0.000 1.025 296 S CB -0.381 62.920 63.200 0.169 0.000 0.902 296 S HN 0.588 nan 8.310 nan 0.000 0.440 297 R N 1.150 121.659 120.500 0.015 0.000 2.094 297 R HA -0.102 4.238 4.340 -0.000 0.000 0.239 297 R C 2.487 178.779 176.300 -0.014 0.000 1.137 297 R CA 1.284 57.385 56.100 0.001 0.000 0.943 297 R CB -0.321 29.967 30.300 -0.020 0.000 0.850 297 R HN 0.167 nan 8.270 nan 0.000 0.433 298 K N 0.711 121.089 120.400 -0.037 0.000 2.020 298 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 298 K C 2.040 178.576 176.600 -0.107 0.000 1.050 298 K CA 1.875 58.115 56.287 -0.078 0.000 0.929 298 K CB -0.475 31.965 32.500 -0.101 0.000 0.714 298 K HN 0.204 nan 8.250 nan 0.000 0.443 299 A N 1.341 124.105 122.820 -0.094 0.000 1.892 299 A HA -0.189 4.130 4.320 -0.000 0.000 0.218 299 A C 2.475 179.980 177.584 -0.131 0.000 1.188 299 A CA 1.799 53.766 52.037 -0.116 0.000 0.631 299 A CB -0.756 18.223 19.000 -0.034 0.000 0.822 299 A HN 0.323 nan 8.150 nan 0.000 0.447 300 L N -0.932 120.265 121.223 -0.043 0.000 2.012 300 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 300 L C 2.690 179.535 176.870 -0.042 0.000 1.073 300 L CA 1.978 56.818 54.840 -0.001 0.000 0.748 300 L CB -0.545 41.583 42.059 0.115 0.000 0.891 300 L HN 0.649 nan 8.230 nan 0.000 0.431 301 E N 0.467 120.642 120.200 -0.041 0.000 2.085 301 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 301 E C 2.329 178.877 176.600 -0.087 0.000 0.994 301 E CA 1.310 57.682 56.400 -0.045 0.000 0.801 301 E CB 0.064 29.736 29.700 -0.047 0.000 0.743 301 E HN 0.373 nan 8.360 nan 0.000 0.453 302 R N -0.279 120.138 120.500 -0.138 0.000 2.148 302 R HA 0.005 4.345 4.340 -0.000 0.000 0.223 302 R C 2.210 178.389 176.300 -0.201 0.000 1.088 302 R CA 0.924 56.926 56.100 -0.163 0.000 0.985 302 R CB -0.075 30.101 30.300 -0.207 0.000 0.880 302 R HN 0.159 nan 8.270 nan 0.000 0.451 303 A N 0.149 122.785 122.820 -0.307 0.000 2.123 303 A HA 0.188 4.508 4.320 -0.000 0.000 0.214 303 A C 1.436 178.813 177.584 -0.346 0.000 1.152 303 A CA 0.785 52.510 52.037 -0.520 0.000 0.728 303 A CB -0.085 18.228 19.000 -1.144 0.000 0.814 303 A HN 0.412 nan 8.150 nan 0.000 0.464 304 G N -2.505 106.220 108.800 -0.124 0.000 2.160 304 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 304 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 304 G C -0.319 174.743 174.900 0.270 0.000 1.022 304 G CA 0.268 45.404 45.100 0.060 0.000 0.741 304 G HN 0.367 nan 8.290 nan 0.000 0.508 305 W N -0.012 121.302 121.300 0.023 0.000 2.647 305 W HA 0.752 5.412 4.660 -0.000 0.000 0.353 305 W C 0.542 177.082 176.519 0.036 0.000 1.080 305 W CA -1.724 55.639 57.345 0.031 0.000 1.208 305 W CB 0.979 30.463 29.460 0.041 0.000 1.396 305 W HN 0.015 nan 8.180 nan 0.000 0.573 306 K N 0.984 121.550 120.400 0.276 0.000 2.139 306 K HA 0.392 4.712 4.320 -0.000 0.000 0.243 306 K C 1.128 177.841 176.600 0.189 0.000 0.983 306 K CA -0.862 55.528 56.287 0.171 0.000 0.890 306 K CB 1.904 34.466 32.500 0.105 0.000 1.090 306 K HN 0.246 nan 8.250 nan 0.000 0.445 307 I N 1.132 121.798 120.570 0.160 0.000 2.208 307 I HA -0.238 3.931 4.170 -0.000 0.000 0.245 307 I C 2.076 178.307 176.117 0.190 0.000 1.097 307 I CA 1.786 63.209 61.300 0.205 0.000 1.363 307 I CB -0.247 37.843 38.000 0.150 0.000 1.051 307 I HN 0.938 nan 8.210 nan 0.000 0.413 308 G N -0.398 108.475 108.800 0.122 0.000 2.559 308 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 308 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 308 G C 1.175 176.093 174.900 0.031 0.000 1.126 308 G CA 0.584 45.733 45.100 0.080 0.000 0.778 308 G HN 0.309 nan 8.290 nan 0.000 0.543 309 D N 0.311 120.720 120.400 0.014 0.000 2.224 309 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 309 D C 1.346 177.546 176.300 -0.167 0.000 0.965 309 D CA 0.076 54.009 54.000 -0.113 0.000 0.852 309 D CB 0.003 40.680 40.800 -0.205 0.000 0.947 309 D HN 0.240 nan 8.370 nan 0.000 0.494 310 L N 2.053 123.252 121.223 -0.041 0.000 2.513 310 L HA -0.018 4.322 4.340 -0.000 0.000 0.272 310 L C 1.257 178.089 176.870 -0.063 0.000 1.187 310 L CA 0.043 54.864 54.840 -0.031 0.000 0.895 310 L CB 0.644 42.769 42.059 0.109 0.000 1.147 310 L HN -0.126 nan 8.230 nan 0.000 0.483 311 D N 2.580 122.921 120.400 -0.099 0.000 2.277 311 D HA 0.128 4.768 4.640 -0.000 0.000 0.209 311 D C 0.082 176.332 176.300 -0.082 0.000 0.970 311 D CA 0.767 54.715 54.000 -0.087 0.000 0.874 311 D CB 0.759 41.501 40.800 -0.097 0.000 0.982 311 D HN 0.179 nan 8.370 nan 0.000 0.504 312 L N 0.480 121.652 121.223 -0.085 0.000 2.434 312 L HA 0.421 4.761 4.340 -0.000 0.000 0.260 312 L C -1.487 175.294 176.870 -0.149 0.000 0.983 312 L CA -0.805 53.972 54.840 -0.105 0.000 0.820 312 L CB 2.655 44.672 42.059 -0.070 0.000 1.361 312 L HN -0.330 nan 8.230 nan 0.000 0.410 313 V N 2.581 122.350 119.914 -0.242 0.000 2.888 313 V HA 0.596 4.716 4.120 -0.000 0.000 0.309 313 V C -1.152 174.783 176.094 -0.264 0.000 1.114 313 V CA -0.687 61.391 62.300 -0.370 0.000 0.940 313 V CB 2.199 33.478 31.823 -0.907 0.000 1.021 313 V HN 0.651 nan 8.190 nan 0.000 0.426 314 E N 2.904 123.001 120.200 -0.172 0.000 2.207 314 E HA 0.637 4.986 4.350 -0.000 0.000 0.250 314 E C -0.664 175.918 176.600 -0.030 0.000 0.890 314 E CA -0.281 56.078 56.400 -0.068 0.000 0.749 314 E CB 1.984 31.683 29.700 -0.001 0.000 1.193 314 E HN 0.799 nan 8.360 nan 0.000 0.423 315 A N 3.987 126.806 122.820 -0.001 0.000 2.293 315 A HA 0.321 4.641 4.320 -0.000 0.000 0.312 315 A C 0.133 177.771 177.584 0.090 0.000 1.309 315 A CA -0.793 51.303 52.037 0.099 0.000 0.839 315 A CB 0.231 19.376 19.000 0.242 0.000 1.155 315 A HN 0.439 nan 8.150 nan 0.000 0.501 316 N N 1.937 120.672 118.700 0.059 0.000 2.131 316 N HA -0.087 4.653 4.740 -0.000 0.000 0.276 316 N C 0.022 175.513 175.510 -0.032 0.000 1.295 316 N CA 0.915 53.965 53.050 -0.001 0.000 0.818 316 N CB 0.315 38.788 38.487 -0.024 0.000 1.049 316 N HN 0.648 nan 8.380 nan 0.000 0.484 317 E N 2.658 122.824 120.200 -0.057 0.000 1.979 317 E HA 0.142 4.491 4.350 -0.000 0.000 0.285 317 E C 0.578 177.047 176.600 -0.218 0.000 1.188 317 E CA -0.409 55.967 56.400 -0.040 0.000 1.214 317 E CB 0.087 29.843 29.700 0.093 0.000 1.210 317 E HN 0.673 nan 8.360 nan 0.000 0.477 318 A N 2.530 125.199 122.820 -0.251 0.000 1.858 318 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 318 A C 0.391 177.594 177.584 -0.635 0.000 1.190 318 A CA 1.174 52.962 52.037 -0.413 0.000 0.617 318 A CB 0.139 19.079 19.000 -0.099 0.000 0.827 318 A HN 0.388 nan 8.150 nan 0.000 0.443 319 F N -4.386 115.526 119.950 -0.063 0.000 2.601 319 F HA 0.581 5.107 4.527 -0.001 0.000 0.309 319 F C 1.062 176.789 175.800 -0.121 0.000 1.089 319 F CA -0.432 57.542 58.000 -0.043 0.000 0.940 319 F CB 1.633 40.604 39.000 -0.048 0.000 1.273 319 F HN 0.092 nan 8.300 nan 0.000 0.450 320 A N 1.580 124.447 122.820 0.078 0.000 1.883 320 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 320 A C 2.243 179.668 177.584 -0.266 0.000 1.186 320 A CA 2.254 54.195 52.037 -0.159 0.000 0.624 320 A CB -1.180 17.840 19.000 0.033 0.000 0.822 320 A HN 0.944 nan 8.150 nan 0.000 0.444 321 A N 0.300 123.074 122.820 -0.076 0.000 1.884 321 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 321 A C 2.173 179.636 177.584 -0.201 0.000 1.197 321 A CA 2.620 54.589 52.037 -0.114 0.000 0.637 321 A CB -0.813 18.147 19.000 -0.066 0.000 0.827 321 A HN 0.771 nan 8.150 nan 0.000 0.450 322 Q N -0.180 119.538 119.800 -0.137 0.000 2.079 322 Q HA 0.147 4.487 4.340 -0.000 0.000 0.200 322 Q C 1.936 177.780 176.000 -0.261 0.000 0.974 322 Q CA 2.149 57.847 55.803 -0.176 0.000 0.840 322 Q CB -1.006 27.706 28.738 -0.043 0.000 0.898 322 Q HN 0.506 nan 8.270 nan 0.000 0.430 323 A N 0.777 123.415 122.820 -0.302 0.000 1.865 323 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 323 A C 2.414 179.753 177.584 -0.407 0.000 1.191 323 A CA 1.585 53.407 52.037 -0.358 0.000 0.623 323 A CB -1.296 17.343 19.000 -0.602 0.000 0.826 323 A HN 0.653 nan 8.150 nan 0.000 0.444 324 C N -0.875 118.088 119.300 -0.561 0.000 2.413 324 C HA 0.014 4.474 4.460 -0.000 0.000 0.276 324 C C 3.301 178.062 174.990 -0.382 0.000 1.248 324 C CA 0.771 59.577 59.018 -0.354 0.000 1.742 324 C CB -1.553 26.024 27.740 -0.272 0.000 2.017 324 C HN 0.707 nan 8.230 nan 0.000 0.481 325 A N 0.473 122.942 122.820 -0.584 0.000 1.933 325 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 325 A C 2.295 179.305 177.584 -0.956 0.000 1.175 325 A CA 2.209 53.544 52.037 -1.170 0.000 0.628 325 A CB -0.725 17.413 19.000 -1.437 0.000 0.814 325 A HN 0.386 nan 8.150 nan 0.000 0.444 326 V N 1.085 120.692 119.914 -0.512 0.000 2.237 326 V HA -0.285 3.835 4.120 -0.000 0.000 0.245 326 V C 2.312 178.224 176.094 -0.303 0.000 1.046 326 V CA 2.209 64.322 62.300 -0.312 0.000 1.007 326 V CB -1.014 30.754 31.823 -0.091 0.000 0.638 326 V HN 0.567 nan 8.190 nan 0.000 0.445 327 N N 0.102 118.723 118.700 -0.131 0.000 2.166 327 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 327 N C 1.823 177.250 175.510 -0.137 0.000 1.019 327 N CA 1.425 54.459 53.050 -0.026 0.000 0.856 327 N CB -0.349 38.279 38.487 0.234 0.000 0.993 327 N HN 0.483 nan 8.380 nan 0.000 0.426 328 K N 0.717 121.018 120.400 -0.166 0.000 2.009 328 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 328 K C 1.623 178.208 176.600 -0.025 0.000 1.049 328 K CA 1.714 57.961 56.287 -0.068 0.000 0.929 328 K CB -0.157 32.316 32.500 -0.046 0.000 0.714 328 K HN 0.091 nan 8.250 nan 0.000 0.440 329 D N -0.253 120.083 120.400 -0.107 0.000 2.084 329 D HA -0.117 4.523 4.640 -0.000 0.000 0.196 329 D C 1.863 178.091 176.300 -0.119 0.000 0.985 329 D CA 1.056 55.084 54.000 0.046 0.000 0.826 329 D CB 0.113 40.979 40.800 0.110 0.000 0.978 329 D HN 0.099 nan 8.370 nan 0.000 0.456 330 L N -0.794 120.222 121.223 -0.344 0.000 2.056 330 L HA 0.056 4.396 4.340 -0.000 0.000 0.207 330 L C 2.095 178.749 176.870 -0.361 0.000 1.078 330 L CA 1.153 55.685 54.840 -0.512 0.000 0.749 330 L CB -0.401 40.960 42.059 -1.163 0.000 0.901 330 L HN 0.429 nan 8.230 nan 0.000 0.433 331 G N -1.355 107.268 108.800 -0.295 0.000 2.176 331 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.253 331 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.253 331 G C -0.017 174.913 174.900 0.049 0.000 0.979 331 G CA 0.087 45.139 45.100 -0.080 0.000 0.641 331 G HN 0.336 nan 8.290 nan 0.000 0.530 332 W N 1.353 122.675 121.300 0.038 0.000 2.209 332 W HA 0.522 5.182 4.660 -0.000 0.000 0.344 332 W C 0.114 176.653 176.519 0.033 0.000 1.285 332 W CA -1.886 55.480 57.345 0.036 0.000 1.267 332 W CB 0.097 29.582 29.460 0.041 0.000 1.167 332 W HN 0.159 nan 8.180 nan 0.000 0.574 333 D N 4.703 125.277 120.400 0.290 0.000 2.451 333 D HA -0.010 4.630 4.640 -0.000 0.000 0.254 333 D C -0.875 175.508 176.300 0.139 0.000 1.204 333 D CA -1.718 52.381 54.000 0.165 0.000 0.896 333 D CB 1.082 41.937 40.800 0.091 0.000 1.136 333 D HN 0.143 nan 8.370 nan 0.000 0.499 334 P HA -0.229 nan 4.420 nan 0.000 0.216 334 P C 1.289 178.605 177.300 0.027 0.000 1.153 334 P CA 1.462 64.632 63.100 0.116 0.000 0.858 334 P CB -0.168 31.604 31.700 0.119 0.000 0.789 335 S N 0.402 116.110 115.700 0.012 0.000 2.440 335 S HA -0.161 4.308 4.470 -0.000 0.000 0.238 335 S C 1.753 176.324 174.600 -0.048 0.000 1.010 335 S CA 1.368 59.556 58.200 -0.020 0.000 0.972 335 S CB -1.609 61.583 63.200 -0.013 0.000 0.774 335 S HN 0.401 nan 8.310 nan 0.000 0.501 336 I N -1.216 119.315 120.570 -0.066 0.000 3.891 336 I HA 0.479 4.649 4.170 -0.000 0.000 0.331 336 I C -0.737 175.272 176.117 -0.180 0.000 1.406 336 I CA -0.620 60.617 61.300 -0.106 0.000 1.139 336 I CB 0.645 38.587 38.000 -0.096 0.000 1.056 336 I HN -0.024 nan 8.210 nan 0.000 0.399 337 V N 2.312 122.120 119.914 -0.177 0.000 2.350 337 V HA 0.404 4.524 4.120 -0.000 0.000 0.285 337 V C -0.272 175.760 176.094 -0.105 0.000 1.014 337 V CA -0.673 61.494 62.300 -0.222 0.000 0.831 337 V CB 0.479 32.168 31.823 -0.224 0.000 1.000 337 V HN 0.523 nan 8.190 nan 0.000 0.433 338 N N 2.542 121.192 118.700 -0.084 0.000 2.738 338 N HA -0.150 4.589 4.740 -0.000 0.000 0.249 338 N C 0.882 176.366 175.510 -0.044 0.000 1.047 338 N CA 0.865 53.896 53.050 -0.031 0.000 0.707 338 N CB -1.268 37.220 38.487 0.002 0.000 0.937 338 N HN 0.456 nan 8.380 nan 0.000 0.545 339 V N -0.264 119.616 119.914 -0.057 0.000 2.380 339 V HA -0.253 3.867 4.120 -0.000 0.000 0.251 339 V C 1.453 177.511 176.094 -0.060 0.000 1.063 339 V CA 2.035 64.296 62.300 -0.065 0.000 1.055 339 V CB -0.130 31.650 31.823 -0.071 0.000 0.657 339 V HN 0.540 nan 8.190 nan 0.000 0.455 340 N N 0.205 118.885 118.700 -0.034 0.000 2.279 340 N HA 0.362 5.102 4.740 -0.000 0.000 0.226 340 N C 0.509 176.104 175.510 0.143 0.000 1.126 340 N CA 0.929 53.967 53.050 -0.019 0.000 0.846 340 N CB 0.716 39.098 38.487 -0.175 0.000 1.050 340 N HN 0.553 nan 8.380 nan 0.000 0.502 341 G N -1.288 107.549 108.800 0.061 0.000 2.663 341 G HA2 0.183 4.143 3.960 -0.000 0.000 0.686 341 G HA3 0.183 4.143 3.960 -0.000 0.000 0.686 341 G C -0.281 174.662 174.900 0.072 0.000 1.288 341 G CA -0.616 44.520 45.100 0.059 0.000 0.836 341 G HN 0.469 nan 8.290 nan 0.000 0.584 342 G N -1.742 107.086 108.800 0.047 0.000 3.176 342 G HA2 0.842 4.801 3.960 -0.000 0.000 0.272 342 G HA3 0.842 4.801 3.960 -0.000 0.000 0.272 342 G C 1.181 176.114 174.900 0.055 0.000 1.349 342 G CA 1.012 46.149 45.100 0.061 0.000 0.953 342 G HN 2.031 nan 8.290 nan 0.000 0.559 343 A N -0.756 122.082 122.820 0.031 0.000 1.978 343 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 343 A C 2.314 179.941 177.584 0.072 0.000 1.170 343 A CA 1.593 53.637 52.037 0.011 0.000 0.636 343 A CB -0.616 18.300 19.000 -0.140 0.000 0.810 343 A HN 0.526 nan 8.150 nan 0.000 0.448 344 I N -0.431 120.185 120.570 0.077 0.000 2.163 344 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 344 I C 2.906 179.117 176.117 0.158 0.000 1.085 344 I CA 1.423 62.797 61.300 0.123 0.000 1.347 344 I CB -0.283 37.790 38.000 0.122 0.000 1.044 344 I HN 0.363 nan 8.210 nan 0.000 0.408 345 A N 0.400 123.271 122.820 0.085 0.000 1.903 345 A HA 0.021 4.341 4.320 -0.000 0.000 0.213 345 A C 2.246 179.900 177.584 0.117 0.000 1.185 345 A CA 0.892 52.943 52.037 0.024 0.000 0.628 345 A CB -0.598 18.392 19.000 -0.018 0.000 0.830 345 A HN 0.322 nan 8.150 nan 0.000 0.446 346 I N -0.944 119.692 120.570 0.109 0.000 2.353 346 I HA 0.150 4.320 4.170 -0.000 0.000 0.248 346 I C 1.317 177.533 176.117 0.165 0.000 1.119 346 I CA 1.167 62.507 61.300 0.067 0.000 1.417 346 I CB -0.218 37.748 38.000 -0.057 0.000 1.078 346 I HN 0.521 nan 8.210 nan 0.000 0.421 347 G N -0.426 108.482 108.800 0.180 0.000 2.392 347 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.677 347 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.677 347 G C -1.203 173.716 174.900 0.031 0.000 1.334 347 G CA -0.786 44.289 45.100 -0.043 0.000 0.961 347 G HN 0.249 nan 8.290 nan 0.000 0.616 348 H N 0.957 119.922 119.070 -0.175 0.000 2.490 348 H HA 0.495 5.051 4.556 -0.000 0.000 0.230 348 H C -2.432 172.830 175.328 -0.111 0.000 1.417 348 H CA -1.662 54.315 56.048 -0.118 0.000 1.449 348 H CB 1.364 31.048 29.762 -0.131 0.000 1.649 348 H HN 0.408 nan 8.280 nan 0.000 0.519 349 P HA 0.065 nan 4.420 nan 0.000 0.260 349 P C 1.373 178.538 177.300 -0.225 0.000 1.651 349 P CA 0.018 63.023 63.100 -0.159 0.000 1.139 349 P CB 0.082 31.741 31.700 -0.069 0.000 1.756 350 I N 2.403 122.728 120.570 -0.408 0.000 2.419 350 I HA -0.385 3.785 4.170 -0.000 0.000 0.229 350 I C 2.436 178.445 176.117 -0.179 0.000 0.948 350 I CA 2.424 63.478 61.300 -0.410 0.000 1.247 350 I CB -1.425 36.397 38.000 -0.297 0.000 0.956 350 I HN 0.310 nan 8.210 nan 0.000 0.388 351 G N -0.845 107.881 108.800 -0.123 0.000 2.509 351 G HA2 0.027 3.987 3.960 -0.000 0.000 0.218 351 G HA3 0.027 3.987 3.960 -0.000 0.000 0.218 351 G C 1.507 176.371 174.900 -0.060 0.000 1.124 351 G CA 0.790 45.846 45.100 -0.074 0.000 0.776 351 G HN 0.610 nan 8.290 nan 0.000 0.547 352 A N -0.246 122.536 122.820 -0.063 0.000 2.140 352 A HA 0.411 4.731 4.320 -0.000 0.000 0.209 352 A C 2.428 180.008 177.584 -0.007 0.000 1.181 352 A CA 1.221 53.233 52.037 -0.042 0.000 0.824 352 A CB -0.112 18.855 19.000 -0.054 0.000 0.879 352 A HN 0.178 nan 8.150 nan 0.000 0.480 353 S N 0.297 116.007 115.700 0.016 0.000 2.380 353 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 353 S C 2.028 176.677 174.600 0.081 0.000 1.043 353 S CA 1.623 59.878 58.200 0.091 0.000 1.038 353 S CB -0.503 62.845 63.200 0.246 0.000 0.872 353 S HN 0.773 nan 8.310 nan 0.000 0.456 354 G N 0.548 109.387 108.800 0.064 0.000 2.422 354 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.218 354 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.218 354 G C 1.407 176.331 174.900 0.041 0.000 1.146 354 G CA 0.917 46.051 45.100 0.056 0.000 0.769 354 G HN 0.604 nan 8.290 nan 0.000 0.547 355 A N -0.216 122.619 122.820 0.024 0.000 2.072 355 A HA 0.240 4.560 4.320 -0.000 0.000 0.216 355 A C 2.310 179.921 177.584 0.045 0.000 1.156 355 A CA 1.005 53.055 52.037 0.021 0.000 0.701 355 A CB -0.228 18.770 19.000 -0.004 0.000 0.816 355 A HN 0.218 nan 8.150 nan 0.000 0.458 356 R N 0.874 121.402 120.500 0.047 0.000 2.062 356 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 356 R C 1.988 178.337 176.300 0.082 0.000 1.136 356 R CA 1.920 58.055 56.100 0.058 0.000 0.948 356 R CB -0.659 29.669 30.300 0.047 0.000 0.845 356 R HN 0.711 nan 8.270 nan 0.000 0.430 357 I N -1.129 119.487 120.570 0.077 0.000 2.916 357 I HA -0.141 4.029 4.170 -0.000 0.000 0.267 357 I C 2.140 178.307 176.117 0.083 0.000 1.263 357 I CA 0.981 62.330 61.300 0.082 0.000 1.471 357 I CB -0.205 37.836 38.000 0.068 0.000 1.089 357 I HN 0.088 nan 8.210 nan 0.000 0.468 358 L N 1.082 122.352 121.223 0.080 0.000 2.127 358 L HA -0.067 4.273 4.340 -0.000 0.000 0.203 358 L C 2.298 179.231 176.870 0.105 0.000 1.080 358 L CA 1.261 56.145 54.840 0.073 0.000 0.768 358 L CB -0.598 41.493 42.059 0.053 0.000 0.924 358 L HN 0.385 nan 8.230 nan 0.000 0.444 359 N N -0.271 118.518 118.700 0.148 0.000 2.007 359 N HA -0.202 4.538 4.740 -0.000 0.000 0.197 359 N C 1.539 177.250 175.510 0.333 0.000 1.050 359 N CA 2.530 55.745 53.050 0.274 0.000 0.856 359 N CB -0.245 38.392 38.487 0.251 0.000 1.050 359 N HN 0.379 nan 8.380 nan 0.000 0.423 360 T N 3.129 117.830 114.554 0.244 0.000 2.635 360 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 360 T C 2.056 176.856 174.700 0.167 0.000 1.040 360 T CA 0.723 62.966 62.100 0.238 0.000 1.156 360 T CB -0.603 68.405 68.868 0.233 0.000 0.863 360 T HN 0.203 nan 8.240 nan 0.000 0.430 361 L N 0.415 121.704 121.223 0.110 0.000 2.013 361 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 361 L C 2.493 179.387 176.870 0.041 0.000 1.073 361 L CA 1.738 56.612 54.840 0.057 0.000 0.753 361 L CB -0.432 41.652 42.059 0.042 0.000 0.890 361 L HN 0.337 nan 8.230 nan 0.000 0.432 362 L N -1.511 119.734 121.223 0.036 0.000 2.056 362 L HA -0.239 4.101 4.340 -0.000 0.000 0.207 362 L C 2.381 179.153 176.870 -0.163 0.000 1.078 362 L CA 1.341 56.128 54.840 -0.089 0.000 0.749 362 L CB -0.463 41.495 42.059 -0.169 0.000 0.901 362 L HN 0.178 nan 8.230 nan 0.000 0.433 363 F N -0.319 119.641 119.950 0.018 0.000 2.615 363 F HA -0.101 4.426 4.527 -0.000 0.000 0.297 363 F C 2.482 178.272 175.800 -0.016 0.000 1.124 363 F CA 0.626 58.630 58.000 0.007 0.000 1.451 363 F CB -0.043 38.969 39.000 0.020 0.000 1.103 363 F HN 0.054 nan 8.300 nan 0.000 0.569 364 E N 0.542 120.812 120.200 0.117 0.000 2.086 364 E HA -0.116 4.233 4.350 -0.000 0.000 0.190 364 E C 2.121 178.723 176.600 0.003 0.000 0.975 364 E CA 1.213 57.633 56.400 0.034 0.000 0.813 364 E CB -0.240 29.462 29.700 0.004 0.000 0.768 364 E HN 0.303 nan 8.360 nan 0.000 0.457 365 M N 0.341 119.936 119.600 -0.008 0.000 2.149 365 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 365 M C 2.341 178.622 176.300 -0.031 0.000 1.064 365 M CA 1.795 57.080 55.300 -0.026 0.000 1.102 365 M CB -0.218 32.364 32.600 -0.030 0.000 1.369 365 M HN 0.032 nan 8.290 nan 0.000 0.408 366 K N 0.849 121.227 120.400 -0.036 0.000 2.031 366 K HA -0.184 4.136 4.320 -0.000 0.000 0.205 366 K C 2.102 178.700 176.600 -0.005 0.000 1.049 366 K CA 1.417 57.684 56.287 -0.033 0.000 0.939 366 K CB -0.156 32.309 32.500 -0.058 0.000 0.717 366 K HN 0.297 nan 8.250 nan 0.000 0.438 367 R N 1.279 121.789 120.500 0.017 0.000 2.096 367 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 367 R C 1.793 178.087 176.300 -0.010 0.000 1.127 367 R CA 1.893 58.000 56.100 0.011 0.000 0.968 367 R CB -0.297 30.013 30.300 0.016 0.000 0.861 367 R HN 0.269 nan 8.270 nan 0.000 0.440 368 R N -0.683 119.805 120.500 -0.019 0.000 2.393 368 R HA 0.286 4.626 4.340 -0.000 0.000 0.244 368 R C 0.677 176.960 176.300 -0.029 0.000 0.920 368 R CA 0.336 56.420 56.100 -0.027 0.000 1.076 368 R CB 0.261 30.540 30.300 -0.035 0.000 1.119 368 R HN 0.285 nan 8.270 nan 0.000 0.524 369 G N 0.843 109.627 108.800 -0.026 0.000 2.305 369 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.287 369 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.287 369 G C 0.248 175.126 174.900 -0.038 0.000 1.036 369 G CA 0.241 45.324 45.100 -0.029 0.000 0.887 369 G HN 0.697 nan 8.290 nan 0.000 0.505 370 A N -1.114 121.681 122.820 -0.041 0.000 2.371 370 A HA 0.797 5.117 4.320 -0.000 0.000 0.257 370 A C 1.259 178.809 177.584 -0.056 0.000 1.089 370 A CA 0.566 52.571 52.037 -0.053 0.000 0.794 370 A CB 0.515 19.482 19.000 -0.055 0.000 1.029 370 A HN 0.479 nan 8.150 nan 0.000 0.488 371 R N 0.689 121.142 120.500 -0.079 0.000 2.074 371 R HA 0.139 4.479 4.340 -0.000 0.000 0.218 371 R C -0.081 176.162 176.300 -0.095 0.000 1.137 371 R CA 0.980 57.030 56.100 -0.083 0.000 0.998 371 R CB -0.134 30.101 30.300 -0.109 0.000 0.895 371 R HN 0.653 nan 8.270 nan 0.000 0.442 372 K N 0.610 120.897 120.400 -0.189 0.000 2.182 372 K HA 0.602 4.921 4.320 -0.000 0.000 0.262 372 K C -0.349 176.221 176.600 -0.050 0.000 0.957 372 K CA -0.484 55.655 56.287 -0.247 0.000 0.842 372 K CB 2.113 34.083 32.500 -0.883 0.000 1.099 372 K HN 0.218 nan 8.250 nan 0.000 0.438 373 G N 1.734 110.626 108.800 0.154 0.000 2.642 373 G HA2 0.705 4.665 3.960 -0.000 0.000 0.293 373 G HA3 0.705 4.665 3.960 -0.000 0.000 0.293 373 G C -1.916 173.120 174.900 0.228 0.000 1.341 373 G CA -0.694 44.486 45.100 0.134 0.000 0.916 373 G HN 0.500 nan 8.290 nan 0.000 0.474 374 L N 0.325 121.615 121.223 0.111 0.000 2.493 374 L HA 0.827 5.167 4.340 -0.000 0.000 0.265 374 L C -0.433 176.466 176.870 0.048 0.000 0.954 374 L CA -0.755 54.158 54.840 0.121 0.000 0.844 374 L CB 1.990 44.161 42.059 0.187 0.000 1.302 374 L HN 0.890 nan 8.230 nan 0.000 0.405 375 A N 2.646 125.515 122.820 0.082 0.000 2.337 375 A HA 0.861 5.181 4.320 -0.000 0.000 0.329 375 A C -0.627 177.025 177.584 0.112 0.000 1.146 375 A CA -0.391 51.689 52.037 0.072 0.000 0.800 375 A CB 1.862 20.905 19.000 0.071 0.000 1.220 375 A HN 0.655 nan 8.150 nan 0.000 0.472 376 T N 1.073 115.698 114.554 0.117 0.000 2.932 376 T HA 0.600 4.949 4.350 -0.000 0.000 0.318 376 T C -1.804 172.970 174.700 0.124 0.000 1.265 376 T CA -0.308 61.880 62.100 0.147 0.000 1.036 376 T CB 0.483 69.479 68.868 0.213 0.000 1.209 376 T HN 0.596 nan 8.240 nan 0.000 0.484 377 L N 3.008 124.301 121.223 0.116 0.000 2.393 377 L HA 0.740 5.079 4.340 -0.000 0.000 0.260 377 L C 0.194 177.123 176.870 0.098 0.000 1.002 377 L CA -0.838 54.061 54.840 0.099 0.000 0.818 377 L CB 1.634 43.754 42.059 0.102 0.000 1.369 377 L HN 0.938 nan 8.230 nan 0.000 0.412 378 C N 0.166 119.518 119.300 0.087 0.000 2.398 378 C HA 0.878 5.338 4.460 -0.000 0.000 0.364 378 C C 0.039 175.091 174.990 0.104 0.000 1.219 378 C CA -0.972 58.099 59.018 0.088 0.000 2.312 378 C CB -0.053 27.734 27.740 0.079 0.000 2.428 378 C HN 0.630 nan 8.230 nan 0.000 0.564 379 I N 1.554 122.186 120.570 0.102 0.000 2.582 379 I HA 0.540 4.710 4.170 -0.000 0.000 0.292 379 I C 0.974 177.151 176.117 0.100 0.000 1.066 379 I CA -0.252 61.109 61.300 0.102 0.000 1.053 379 I CB 1.796 39.854 38.000 0.097 0.000 1.241 379 I HN 1.035 nan 8.210 nan 0.000 0.421 380 G N 2.503 111.356 108.800 0.090 0.000 2.491 380 G HA2 0.393 4.353 3.960 -0.000 0.000 0.238 380 G HA3 0.393 4.353 3.960 -0.000 0.000 0.238 380 G C 0.906 175.868 174.900 0.102 0.000 1.277 380 G CA 0.581 45.730 45.100 0.081 0.000 0.851 380 G HN 1.222 nan 8.290 nan 0.000 0.573 381 G N -0.478 108.409 108.800 0.145 0.000 2.175 381 G HA2 0.282 4.242 3.960 -0.000 0.000 0.244 381 G HA3 0.282 4.242 3.960 -0.000 0.000 0.244 381 G C 1.098 176.148 174.900 0.250 0.000 0.982 381 G CA 0.786 46.049 45.100 0.271 0.000 0.641 381 G HN 2.777 nan 8.290 nan 0.000 0.527 382 G N -0.796 108.101 108.800 0.163 0.000 2.799 382 G HA2 0.173 4.133 3.960 -0.000 0.000 0.271 382 G HA3 0.173 4.133 3.960 -0.000 0.000 0.271 382 G C -0.288 174.671 174.900 0.099 0.000 1.067 382 G CA 0.807 45.979 45.100 0.119 0.000 1.251 382 G HN 1.305 nan 8.290 nan 0.000 0.560 383 M N -0.360 119.296 119.600 0.094 0.000 2.603 383 M HA 0.645 5.125 4.480 -0.000 0.000 0.275 383 M C 0.153 176.505 176.300 0.088 0.000 1.226 383 M CA -0.233 55.120 55.300 0.089 0.000 0.870 383 M CB 2.588 35.247 32.600 0.099 0.000 1.716 383 M HN 0.943 nan 8.290 nan 0.000 0.482 384 G N 0.616 109.468 108.800 0.087 0.000 2.620 384 G HA2 0.713 4.673 3.960 -0.000 0.000 0.301 384 G HA3 0.713 4.673 3.960 -0.000 0.000 0.301 384 G C -2.284 172.685 174.900 0.115 0.000 1.347 384 G CA -0.572 44.584 45.100 0.092 0.000 0.971 384 G HN 0.560 nan 8.290 nan 0.000 0.488 385 V N 0.284 120.276 119.914 0.132 0.000 2.735 385 V HA 0.922 5.042 4.120 -0.000 0.000 0.310 385 V C -0.497 175.700 176.094 0.171 0.000 1.061 385 V CA -0.136 62.270 62.300 0.177 0.000 0.913 385 V CB 1.660 33.595 31.823 0.187 0.000 1.005 385 V HN 1.657 nan 8.190 nan 0.000 0.428 386 A N 6.810 129.751 122.820 0.201 0.000 2.549 386 A HA 0.924 5.243 4.320 -0.000 0.000 0.297 386 A C -1.133 176.571 177.584 0.199 0.000 1.061 386 A CA -0.625 51.515 52.037 0.172 0.000 0.690 386 A CB 2.073 21.151 19.000 0.131 0.000 1.287 386 A HN 1.137 nan 8.150 nan 0.000 0.402 387 M N 1.520 121.218 119.600 0.163 0.000 2.378 387 M HA 0.515 4.995 4.480 -0.000 0.000 0.289 387 M C -1.887 174.466 176.300 0.089 0.000 1.136 387 M CA -0.266 55.125 55.300 0.152 0.000 0.917 387 M CB 1.686 34.374 32.600 0.148 0.000 1.669 387 M HN 0.720 nan 8.290 nan 0.000 0.461 388 C N 5.238 124.543 119.300 0.009 0.000 2.303 388 C HA 0.697 5.157 4.460 -0.000 0.000 0.326 388 C C -0.345 174.652 174.990 0.012 0.000 1.285 388 C CA -0.853 58.130 59.018 -0.057 0.000 1.675 388 C CB 0.248 27.676 27.740 -0.520 0.000 2.289 388 C HN 0.605 nan 8.230 nan 0.000 0.512 389 I N 2.920 123.601 120.570 0.185 0.000 2.509 389 I HA 0.491 4.661 4.170 -0.000 0.000 0.293 389 I C -0.129 176.188 176.117 0.334 0.000 1.020 389 I CA -0.185 61.229 61.300 0.189 0.000 1.088 389 I CB 1.779 39.845 38.000 0.110 0.000 1.267 389 I HN 0.770 nan 8.210 nan 0.000 0.430 390 E N 4.027 124.391 120.200 0.273 0.000 2.222 390 E HA 0.474 4.824 4.350 -0.000 0.000 0.267 390 E C -0.527 176.138 176.600 0.108 0.000 0.884 390 E CA -0.516 56.032 56.400 0.245 0.000 0.764 390 E CB 1.764 31.683 29.700 0.364 0.000 1.169 390 E HN 0.662 nan 8.360 nan 0.000 0.413 391 S N 3.911 119.640 115.700 0.050 0.000 2.624 391 S HA 0.466 4.936 4.470 -0.000 0.000 0.263 391 S C 0.064 174.675 174.600 0.019 0.000 1.287 391 S CA -0.588 57.621 58.200 0.014 0.000 0.990 391 S CB 0.568 63.760 63.200 -0.012 0.000 0.950 391 S HN 0.548 nan 8.310 nan 0.000 0.561 392 L N 0.000 121.226 121.223 0.006 0.000 2.949 392 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 392 L CA 0.000 54.845 54.840 0.008 0.000 0.813 392 L CB 0.000 42.066 42.059 0.011 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502