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 2vu0_1_B DATA FIRST_RESID 2 DATA SEQUENCE TPSIVIASAA RTAVGSFNGA FANTPAHELG ATVISAVLER AGVAAGEVNE DATA SEQUENCE VILGQVLPAG EGQNPARQAA MKAGVPQEAT AWGMNQLXGS GLRAVALGMQ DATA SEQUENCE QIATGDASII VAGGMESMSM APHCAHLRGG VKMGDFKMID TMIKDGLTDA DATA SEQUENCE FYGYHMGTTA ENVAKQWQLS RDEQDAFAVA SQNKAEAAQK DGRFKDEIVP DATA SEQUENCE FIVKGRKGDI TVDADEYIRH GATLDSMAKL RPAFDKEGTV TAGNASGLND DATA SEQUENCE GAAAALLMSE AEASRRGIQP LGRIVSWATV GVDPKVMGTG PIPASRKALE DATA SEQUENCE RAGWKIGDLD LVEANEAFAA QACAVNKDLG WDPSIVNVNG GAIAIGHPIG DATA SEQUENCE ASGARILNTL LFEMKRRGAR KGLATLCIGG GMGVAMCIES L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.712 174.700 0.020 0.000 1.109 2 T CA 0.000 62.110 62.100 0.017 0.000 1.349 2 T CB 0.000 68.877 68.868 0.015 0.000 0.612 3 P HA 0.393 nan 4.420 nan 0.000 0.265 3 P C -1.041 176.274 177.300 0.024 0.000 1.187 3 P CA -0.149 62.965 63.100 0.023 0.000 0.766 3 P CB 0.572 32.288 31.700 0.026 0.000 0.820 4 S N 1.840 117.554 115.700 0.022 0.000 2.659 4 S HA 0.556 5.044 4.470 0.030 0.000 0.312 4 S C -0.747 173.865 174.600 0.020 0.000 1.114 4 S CA -0.701 57.513 58.200 0.024 0.000 1.063 4 S CB -0.063 63.151 63.200 0.024 0.000 0.996 4 S HN 0.210 nan 8.310 nan 0.000 0.478 5 I N 5.095 125.677 120.570 0.020 0.000 2.412 5 I HA 0.490 4.679 4.170 0.030 0.000 0.296 5 I C 0.021 176.145 176.117 0.011 0.000 0.987 5 I CA -0.590 60.717 61.300 0.012 0.000 1.180 5 I CB 1.883 39.887 38.000 0.008 0.000 1.340 5 I HN 0.523 nan 8.210 nan 0.000 0.455 6 V N 4.154 124.071 119.914 0.005 0.000 2.881 6 V HA 0.630 4.768 4.120 0.030 0.000 0.316 6 V C -0.144 175.945 176.094 -0.009 0.000 1.070 6 V CA -0.826 61.475 62.300 0.001 0.000 0.976 6 V CB 1.828 33.652 31.823 0.002 0.000 1.038 6 V HN 0.483 nan 8.190 nan 0.000 0.446 7 I N 3.217 123.777 120.570 -0.017 0.000 2.281 7 I HA 0.396 4.584 4.170 0.030 0.000 0.293 7 I C 1.537 177.633 176.117 -0.034 0.000 1.085 7 I CA 0.003 61.285 61.300 -0.029 0.000 1.257 7 I CB 1.105 39.080 38.000 -0.042 0.000 1.430 7 I HN 0.902 nan 8.210 nan 0.000 0.489 8 A N 4.963 127.770 122.820 -0.021 0.000 1.902 8 A HA -0.042 4.296 4.320 0.030 0.000 0.217 8 A C 1.067 178.641 177.584 -0.017 0.000 1.181 8 A CA 1.612 53.640 52.037 -0.015 0.000 0.623 8 A CB -0.130 18.868 19.000 -0.004 0.000 0.818 8 A HN 0.721 nan 8.150 nan 0.000 0.443 9 S N -3.940 111.753 115.700 -0.012 0.000 2.611 9 S HA 0.745 5.233 4.470 0.030 0.000 0.268 9 S C -0.769 173.850 174.600 0.031 0.000 1.156 9 S CA -0.151 58.057 58.200 0.015 0.000 0.817 9 S CB 1.127 64.356 63.200 0.048 0.000 1.122 9 S HN 1.788 nan 8.310 nan 0.000 0.466 10 A N 0.027 122.916 122.820 0.116 0.000 2.604 10 A HA 1.027 5.365 4.320 0.030 0.000 0.295 10 A C -0.728 177.038 177.584 0.304 0.000 1.067 10 A CA -0.397 51.742 52.037 0.171 0.000 0.683 10 A CB 0.881 19.954 19.000 0.122 0.000 1.281 10 A HN 2.406 nan 8.150 nan 0.000 0.407 11 A N 0.622 123.557 122.820 0.192 0.000 2.610 11 A HA 0.946 5.284 4.320 0.030 0.000 0.291 11 A C -0.764 176.866 177.584 0.077 0.000 1.086 11 A CA -0.238 51.878 52.037 0.131 0.000 0.677 11 A CB 1.329 20.376 19.000 0.078 0.000 1.278 11 A HN 1.992 nan 8.150 nan 0.000 0.414 12 R N -0.489 120.035 120.500 0.039 0.000 2.740 12 R HA 0.747 5.105 4.340 0.030 0.000 0.273 12 R C -0.238 176.066 176.300 0.008 0.000 0.998 12 R CA -0.009 56.101 56.100 0.016 0.000 0.900 12 R CB 1.164 31.477 30.300 0.022 0.000 1.223 12 R HN 0.968 nan 8.270 nan 0.000 0.466 13 T N -0.187 114.360 114.554 -0.012 0.000 2.856 13 T HA 0.439 4.807 4.350 0.030 0.000 0.306 13 T C 0.894 175.633 174.700 0.065 0.000 1.062 13 T CA -0.226 61.886 62.100 0.021 0.000 1.083 13 T CB 0.776 69.573 68.868 -0.118 0.000 0.984 13 T HN 0.813 nan 8.240 nan 0.000 0.542 14 A N 1.577 124.479 122.820 0.136 0.000 2.583 14 A HA 0.405 4.743 4.320 0.030 0.000 0.231 14 A C 0.400 178.087 177.584 0.172 0.000 1.065 14 A CA -0.502 51.604 52.037 0.115 0.000 0.760 14 A CB -0.295 18.784 19.000 0.133 0.000 1.001 14 A HN 0.912 nan 8.150 nan 0.000 0.509 15 V N 2.360 122.308 119.914 0.056 0.000 2.383 15 V HA 0.493 4.631 4.120 0.030 0.000 0.275 15 V C 1.139 177.234 176.094 0.001 0.000 1.036 15 V CA 0.135 62.472 62.300 0.061 0.000 0.889 15 V CB 0.904 32.725 31.823 -0.003 0.000 0.985 15 V HN 1.143 nan 8.190 nan 0.000 0.459 16 G N 3.452 112.250 108.800 -0.004 0.000 2.444 16 G HA2 0.405 4.383 3.960 0.030 0.000 0.268 16 G HA3 0.405 4.383 3.960 0.030 0.000 0.268 16 G C 0.071 174.916 174.900 -0.093 0.000 1.203 16 G CA -0.260 44.704 45.100 -0.226 0.000 0.835 16 G HN 0.648 nan 8.290 nan 0.000 0.543 17 S N 0.078 115.727 115.700 -0.084 0.000 2.592 17 S HA 0.232 4.721 4.470 0.030 0.000 0.271 17 S C -0.040 174.588 174.600 0.047 0.000 1.326 17 S CA -0.416 57.784 58.200 0.001 0.000 1.024 17 S CB 0.735 63.990 63.200 0.091 0.000 0.921 17 S HN 0.427 nan 8.310 nan 0.000 0.527 18 F N 3.649 123.537 119.950 -0.103 0.000 2.612 18 F HA -0.002 4.542 4.527 0.029 0.000 0.389 18 F C 1.147 176.932 175.800 -0.025 0.000 1.055 18 F CA -0.076 57.889 58.000 -0.060 0.000 1.232 18 F CB -0.572 38.399 39.000 -0.049 0.000 1.044 18 F HN 0.649 nan 8.300 nan 0.000 0.560 19 N N 2.566 121.033 118.700 -0.389 0.000 2.693 19 N HA -0.210 4.548 4.740 0.030 0.000 0.249 19 N C 0.421 175.841 175.510 -0.151 0.000 1.119 19 N CA 0.949 53.792 53.050 -0.344 0.000 0.717 19 N CB -1.380 36.827 38.487 -0.468 0.000 1.071 19 N HN 0.809 nan 8.380 nan 0.000 0.555 20 G N -0.245 108.494 108.800 -0.101 0.000 3.365 20 G HA2 0.569 4.548 3.960 0.030 0.000 0.185 20 G HA3 0.569 4.548 3.960 0.030 0.000 0.185 20 G C 1.144 175.963 174.900 -0.135 0.000 1.565 20 G CA 0.501 45.543 45.100 -0.097 0.000 0.984 20 G HN 0.275 nan 8.290 nan 0.000 0.604 21 A N -0.608 122.061 122.820 -0.251 0.000 1.940 21 A HA 0.098 4.436 4.320 0.030 0.000 0.219 21 A C 1.582 179.055 177.584 -0.186 0.000 1.176 21 A CA 1.452 53.295 52.037 -0.323 0.000 0.631 21 A CB -0.477 18.150 19.000 -0.622 0.000 0.814 21 A HN 0.342 nan 8.150 nan 0.000 0.446 22 F N -0.729 119.201 119.950 -0.034 0.000 2.668 22 F HA 0.487 5.035 4.527 0.036 0.000 0.297 22 F C 2.003 177.762 175.800 -0.068 0.000 1.124 22 F CA -0.833 57.128 58.000 -0.065 0.000 1.353 22 F CB -0.998 37.914 39.000 -0.148 0.000 0.992 22 F HN 0.221 nan 8.300 nan 0.000 0.524 23 A N 0.472 123.325 122.820 0.055 0.000 1.986 23 A HA -0.207 4.131 4.320 0.030 0.000 0.220 23 A C 1.809 179.388 177.584 -0.008 0.000 1.171 23 A CA 1.900 53.922 52.037 -0.026 0.000 0.640 23 A CB -0.363 18.595 19.000 -0.070 0.000 0.811 23 A HN 0.373 nan 8.150 nan 0.000 0.451 24 N N -0.774 117.944 118.700 0.030 0.000 2.291 24 N HA 0.077 4.835 4.740 0.030 0.000 0.244 24 N C -0.916 174.615 175.510 0.034 0.000 1.216 24 N CA 0.122 53.186 53.050 0.023 0.000 0.879 24 N CB 0.861 39.360 38.487 0.020 0.000 1.167 24 N HN 0.204 nan 8.380 nan 0.000 0.515 25 T N 2.743 117.319 114.554 0.038 0.000 2.753 25 T HA 0.325 4.693 4.350 0.030 0.000 0.297 25 T C -2.514 172.133 174.700 -0.089 0.000 0.981 25 T CA -1.279 60.812 62.100 -0.015 0.000 0.956 25 T CB 1.847 70.684 68.868 -0.051 0.000 0.936 25 T HN -0.046 nan 8.240 nan 0.000 0.463 26 P HA 0.136 nan 4.420 nan 0.000 0.266 26 P C 0.724 177.913 177.300 -0.185 0.000 1.195 26 P CA -0.151 62.888 63.100 -0.102 0.000 0.768 26 P CB 0.476 32.115 31.700 -0.101 0.000 0.838 27 A N 3.930 126.692 122.820 -0.097 0.000 1.927 27 A HA -0.269 4.069 4.320 0.030 0.000 0.220 27 A C 1.935 179.453 177.584 -0.110 0.000 1.185 27 A CA 2.067 54.035 52.037 -0.115 0.000 0.639 27 A CB -1.750 17.225 19.000 -0.041 0.000 0.820 27 A HN 0.814 nan 8.150 nan 0.000 0.451 28 H N -0.871 118.152 119.070 -0.078 0.000 2.521 28 H HA 0.014 4.587 4.556 0.027 0.000 0.286 28 H C 1.450 176.752 175.328 -0.042 0.000 1.034 28 H CA 1.323 57.336 56.048 -0.058 0.000 1.278 28 H CB -0.310 29.433 29.762 -0.032 0.000 1.386 28 H HN 0.667 nan 8.280 nan 0.000 0.567 29 E N 0.982 120.885 120.200 -0.495 0.000 2.072 29 E HA -0.034 4.334 4.350 0.030 0.000 0.190 29 E C 2.598 179.147 176.600 -0.084 0.000 0.982 29 E CA 0.729 56.988 56.400 -0.235 0.000 0.803 29 E CB 0.148 29.747 29.700 -0.167 0.000 0.755 29 E HN 0.418 nan 8.360 nan 0.000 0.453 30 L N 0.574 121.567 121.223 -0.382 0.000 2.042 30 L HA -0.134 4.224 4.340 0.030 0.000 0.210 30 L C 2.633 179.379 176.870 -0.206 0.000 1.076 30 L CA 1.351 55.878 54.840 -0.522 0.000 0.749 30 L CB -0.850 40.785 42.059 -0.707 0.000 0.893 30 L HN 0.227 nan 8.230 nan 0.000 0.432 31 G N -0.319 108.397 108.800 -0.139 0.000 2.418 31 G HA2 -0.250 3.728 3.960 0.030 0.000 0.217 31 G HA3 -0.250 3.728 3.960 0.030 0.000 0.217 31 G C 1.787 176.678 174.900 -0.015 0.000 1.158 31 G CA 0.848 45.909 45.100 -0.064 0.000 0.771 31 G HN 0.471 nan 8.290 nan 0.000 0.545 32 A N 0.169 122.999 122.820 0.017 0.000 1.933 32 A HA -0.022 4.316 4.320 0.030 0.000 0.218 32 A C 2.515 180.124 177.584 0.042 0.000 1.175 32 A CA 2.432 54.493 52.037 0.040 0.000 0.628 32 A CB -0.910 18.128 19.000 0.064 0.000 0.814 32 A HN 0.296 nan 8.150 nan 0.000 0.444 33 T N -0.208 114.390 114.554 0.074 0.000 2.788 33 T HA -0.117 4.251 4.350 0.030 0.000 0.268 33 T C 1.978 176.709 174.700 0.051 0.000 1.044 33 T CA 1.905 64.059 62.100 0.091 0.000 1.139 33 T CB -0.556 68.457 68.868 0.240 0.000 0.867 33 T HN 0.642 nan 8.240 nan 0.000 0.454 34 V N -0.163 119.766 119.914 0.024 0.000 2.591 34 V HA 0.038 4.177 4.120 0.030 0.000 0.249 34 V C 2.167 178.268 176.094 0.013 0.000 1.053 34 V CA 0.992 63.300 62.300 0.013 0.000 1.068 34 V CB -0.965 30.853 31.823 -0.009 0.000 0.689 34 V HN 0.458 nan 8.190 nan 0.000 0.462 35 I N 1.323 121.897 120.570 0.006 0.000 2.127 35 I HA -0.217 3.972 4.170 0.030 0.000 0.241 35 I C 2.873 178.997 176.117 0.012 0.000 1.075 35 I CA 2.037 63.339 61.300 0.004 0.000 1.334 35 I CB -0.687 37.313 38.000 -0.000 0.000 1.040 35 I HN 0.294 nan 8.210 nan 0.000 0.405 36 S N 0.684 116.393 115.700 0.016 0.000 2.374 36 S HA -0.242 4.246 4.470 0.030 0.000 0.227 36 S C 2.191 176.803 174.600 0.020 0.000 1.037 36 S CA 1.567 59.777 58.200 0.016 0.000 1.024 36 S CB -0.418 62.790 63.200 0.014 0.000 0.861 36 S HN 0.580 nan 8.310 nan 0.000 0.456 37 A N 1.223 124.058 122.820 0.026 0.000 1.897 37 A HA -0.015 4.323 4.320 0.030 0.000 0.215 37 A C 2.442 180.051 177.584 0.041 0.000 1.181 37 A CA 1.508 53.565 52.037 0.032 0.000 0.620 37 A CB -0.956 18.066 19.000 0.037 0.000 0.821 37 A HN 0.543 nan 8.150 nan 0.000 0.443 38 V N -1.679 118.259 119.914 0.039 0.000 2.515 38 V HA -0.180 3.958 4.120 0.030 0.000 0.250 38 V C 2.239 178.353 176.094 0.033 0.000 1.058 38 V CA 1.825 64.151 62.300 0.043 0.000 1.064 38 V CB -1.001 30.842 31.823 0.034 0.000 0.675 38 V HN 0.438 nan 8.190 nan 0.000 0.461 39 L N 0.039 121.276 121.223 0.023 0.000 1.994 39 L HA -0.118 4.240 4.340 0.030 0.000 0.208 39 L C 3.052 179.935 176.870 0.021 0.000 1.071 39 L CA 2.332 57.183 54.840 0.018 0.000 0.745 39 L CB -0.735 41.332 42.059 0.013 0.000 0.892 39 L HN 0.409 nan 8.230 nan 0.000 0.431 40 E N 0.886 121.100 120.200 0.023 0.000 2.072 40 E HA -0.212 4.157 4.350 0.030 0.000 0.191 40 E C 2.262 178.881 176.600 0.031 0.000 0.985 40 E CA 1.263 57.677 56.400 0.023 0.000 0.801 40 E CB 0.074 29.787 29.700 0.021 0.000 0.750 40 E HN 0.403 nan 8.360 nan 0.000 0.452 41 R N -0.125 120.400 120.500 0.043 0.000 2.115 41 R HA -0.031 4.327 4.340 0.030 0.000 0.230 41 R C 2.253 178.582 176.300 0.048 0.000 1.111 41 R CA 1.161 57.295 56.100 0.058 0.000 0.976 41 R CB -0.168 30.187 30.300 0.092 0.000 0.870 41 R HN 0.113 nan 8.270 nan 0.000 0.445 42 A N -0.106 122.735 122.820 0.037 0.000 2.132 42 A HA 0.224 4.562 4.320 0.030 0.000 0.213 42 A C 1.461 179.057 177.584 0.021 0.000 1.154 42 A CA 0.699 52.751 52.037 0.026 0.000 0.753 42 A CB 0.003 19.014 19.000 0.020 0.000 0.826 42 A HN 0.397 nan 8.150 nan 0.000 0.469 43 G N -1.111 107.701 108.800 0.021 0.000 2.160 43 G HA2 -0.154 3.824 3.960 0.030 0.000 0.244 43 G HA3 -0.154 3.824 3.960 0.030 0.000 0.244 43 G C -0.015 174.893 174.900 0.013 0.000 1.022 43 G CA 0.243 45.352 45.100 0.016 0.000 0.741 43 G HN 0.866 nan 8.290 nan 0.000 0.508 44 V N 0.262 120.184 119.914 0.013 0.000 2.513 44 V HA 0.824 4.962 4.120 0.030 0.000 0.299 44 V C 0.777 176.877 176.094 0.010 0.000 1.035 44 V CA -0.397 61.909 62.300 0.011 0.000 0.889 44 V CB 1.693 33.522 31.823 0.009 0.000 0.988 44 V HN 1.085 nan 8.190 nan 0.000 0.440 45 A N 3.270 126.096 122.820 0.009 0.000 2.340 45 A HA 0.700 5.038 4.320 0.030 0.000 0.268 45 A C 1.478 179.067 177.584 0.008 0.000 1.100 45 A CA 0.239 52.281 52.037 0.008 0.000 0.803 45 A CB 0.813 19.817 19.000 0.007 0.000 1.043 45 A HN 1.369 nan 8.150 nan 0.000 0.488 46 A N 2.168 124.993 122.820 0.007 0.000 1.958 46 A HA -0.067 4.272 4.320 0.030 0.000 0.221 46 A C 2.201 179.789 177.584 0.007 0.000 1.178 46 A CA 2.510 54.551 52.037 0.007 0.000 0.642 46 A CB -1.285 17.719 19.000 0.007 0.000 0.816 46 A HN 1.582 nan 8.150 nan 0.000 0.453 47 G N -0.698 108.106 108.800 0.007 0.000 2.462 47 G HA2 -0.211 3.768 3.960 0.030 0.000 0.220 47 G HA3 -0.211 3.768 3.960 0.030 0.000 0.220 47 G C 1.298 176.203 174.900 0.008 0.000 1.121 47 G CA 1.002 46.106 45.100 0.008 0.000 0.758 47 G HN 0.729 nan 8.290 nan 0.000 0.559 48 E N -0.478 119.727 120.200 0.008 0.000 2.478 48 E HA 0.120 4.488 4.350 0.030 0.000 0.194 48 E C 0.233 176.838 176.600 0.008 0.000 1.045 48 E CA -0.403 56.001 56.400 0.008 0.000 0.868 48 E CB 0.573 30.277 29.700 0.007 0.000 0.885 48 E HN 0.199 nan 8.360 nan 0.000 0.505 49 V N 2.419 122.337 119.914 0.008 0.000 2.555 49 V HA -0.035 4.103 4.120 0.030 0.000 0.286 49 V C 0.805 176.906 176.094 0.012 0.000 1.044 49 V CA 0.340 62.644 62.300 0.007 0.000 1.026 49 V CB 1.050 32.874 31.823 0.002 0.000 0.981 49 V HN 0.193 nan 8.190 nan 0.000 0.480 50 N N 2.887 121.596 118.700 0.015 0.000 2.251 50 N HA 0.053 4.811 4.740 0.030 0.000 0.181 50 N C 0.439 175.971 175.510 0.036 0.000 1.019 50 N CA 0.473 53.538 53.050 0.025 0.000 0.862 50 N CB 0.455 38.959 38.487 0.028 0.000 0.992 50 N HN 0.814 nan 8.380 nan 0.000 0.429 51 E N -0.154 120.065 120.200 0.032 0.000 2.366 51 E HA 0.396 4.764 4.350 0.030 0.000 0.278 51 E C -1.856 174.734 176.600 -0.017 0.000 0.923 51 E CA -0.606 55.819 56.400 0.042 0.000 0.761 51 E CB 2.007 31.772 29.700 0.108 0.000 1.231 51 E HN -0.272 nan 8.360 nan 0.000 0.443 52 V N 4.489 124.372 119.914 -0.050 0.000 2.459 52 V HA 0.510 4.648 4.120 0.030 0.000 0.295 52 V C -0.323 175.594 176.094 -0.295 0.000 1.029 52 V CA -0.535 61.689 62.300 -0.126 0.000 0.874 52 V CB 1.433 33.206 31.823 -0.083 0.000 0.985 52 V HN 0.555 nan 8.190 nan 0.000 0.438 53 I N 6.136 126.474 120.570 -0.388 0.000 2.468 53 I HA 0.474 4.662 4.170 0.030 0.000 0.284 53 I C -1.060 174.782 176.117 -0.458 0.000 1.038 53 I CA -0.276 60.604 61.300 -0.700 0.000 1.083 53 I CB 1.646 39.138 38.000 -0.847 0.000 1.223 53 I HN 0.339 nan 8.210 nan 0.000 0.443 54 L N 5.719 126.710 121.223 -0.387 0.000 2.372 54 L HA 0.547 4.906 4.340 0.030 0.000 0.273 54 L C 0.715 177.472 176.870 -0.189 0.000 0.989 54 L CA -0.578 54.126 54.840 -0.228 0.000 0.841 54 L CB 1.869 43.841 42.059 -0.146 0.000 1.225 54 L HN 0.656 nan 8.230 nan 0.000 0.414 55 G N 2.300 111.004 108.800 -0.160 0.000 2.353 55 G HA2 0.292 4.271 3.960 0.030 0.000 0.239 55 G HA3 0.292 4.271 3.960 0.030 0.000 0.239 55 G C -0.610 174.247 174.900 -0.072 0.000 1.295 55 G CA 0.128 45.169 45.100 -0.099 0.000 0.884 55 G HN 0.655 nan 8.290 nan 0.000 0.537 56 Q N 1.441 121.213 119.800 -0.047 0.000 2.429 56 Q HA 0.225 4.583 4.340 0.030 0.000 0.247 56 Q C -0.474 175.511 176.000 -0.025 0.000 0.915 56 Q CA -0.734 55.045 55.803 -0.040 0.000 0.971 56 Q CB 1.625 30.343 28.738 -0.033 0.000 1.468 56 Q HN 0.304 nan 8.270 nan 0.000 0.439 57 V N 3.997 123.891 119.914 -0.033 0.000 2.992 57 V HA 0.102 4.240 4.120 0.030 0.000 0.250 57 V C 0.689 176.770 176.094 -0.022 0.000 1.090 57 V CA 0.744 63.029 62.300 -0.026 0.000 1.101 57 V CB 0.240 32.039 31.823 -0.039 0.000 0.743 57 V HN 0.681 nan 8.190 nan 0.000 0.468 58 L N 2.258 123.467 121.223 -0.022 0.000 2.637 58 L HA 0.328 4.686 4.340 0.030 0.000 0.241 58 L C -1.862 175.007 176.870 -0.001 0.000 1.398 58 L CA -0.652 54.180 54.840 -0.013 0.000 0.895 58 L CB 1.362 43.413 42.059 -0.015 0.000 1.183 58 L HN 0.163 nan 8.230 nan 0.000 0.497 59 P HA 0.094 nan 4.420 nan 0.000 0.261 59 P C 0.619 177.929 177.300 0.017 0.000 1.268 59 P CA 0.049 63.156 63.100 0.011 0.000 0.833 59 P CB 0.503 32.208 31.700 0.008 0.000 1.231 60 A N 0.700 123.530 122.820 0.017 0.000 2.546 60 A HA 0.407 4.746 4.320 0.030 0.000 0.243 60 A C 1.617 179.219 177.584 0.030 0.000 1.063 60 A CA 0.845 52.895 52.037 0.021 0.000 0.757 60 A CB -1.146 17.866 19.000 0.021 0.000 0.991 60 A HN 0.368 nan 8.150 nan 0.000 0.503 61 G N 1.549 110.367 108.800 0.030 0.000 2.212 61 G HA2 -0.334 3.644 3.960 0.030 0.000 0.266 61 G HA3 -0.334 3.644 3.960 0.030 0.000 0.266 61 G C 0.793 175.714 174.900 0.035 0.000 0.978 61 G CA 0.983 46.103 45.100 0.034 0.000 0.632 61 G HN 0.943 nan 8.290 nan 0.000 0.537 62 E N 0.378 120.599 120.200 0.034 0.000 2.427 62 E HA 0.394 4.762 4.350 0.030 0.000 0.196 62 E C 1.480 178.086 176.600 0.009 0.000 1.028 62 E CA 1.191 57.617 56.400 0.043 0.000 0.864 62 E CB -0.179 29.556 29.700 0.058 0.000 0.813 62 E HN 1.794 nan 8.360 nan 0.000 0.514 63 G N 0.507 109.307 108.800 -0.000 0.000 2.655 63 G HA2 -0.265 3.713 3.960 0.030 0.000 0.680 63 G HA3 -0.265 3.713 3.960 0.030 0.000 0.680 63 G C -0.938 173.944 174.900 -0.030 0.000 1.302 63 G CA -0.480 44.609 45.100 -0.019 0.000 0.872 63 G HN 0.231 nan 8.290 nan 0.000 0.540 64 Q N 0.347 120.129 119.800 -0.031 0.000 2.262 64 Q HA 0.133 4.492 4.340 0.030 0.000 0.298 64 Q C 1.058 177.034 176.000 -0.040 0.000 1.083 64 Q CA 0.943 56.731 55.803 -0.026 0.000 0.962 64 Q CB 0.074 28.799 28.738 -0.021 0.000 1.104 64 Q HN 0.976 nan 8.270 nan 0.000 0.376 65 N N 3.959 122.648 118.700 -0.018 0.000 2.637 65 N HA -0.176 4.582 4.740 0.030 0.000 0.287 65 N C -2.383 173.102 175.510 -0.042 0.000 1.130 65 N CA 0.037 53.083 53.050 -0.006 0.000 0.764 65 N CB -0.045 38.452 38.487 0.016 0.000 0.935 65 N HN 0.400 nan 8.380 nan 0.000 0.558 66 P HA -0.134 nan 4.420 nan 0.000 0.218 66 P C 1.143 178.412 177.300 -0.052 0.000 1.146 66 P CA 2.044 65.092 63.100 -0.087 0.000 0.813 66 P CB -0.011 31.677 31.700 -0.020 0.000 0.778 67 A N -0.124 122.678 122.820 -0.030 0.000 1.908 67 A HA -0.255 4.084 4.320 0.030 0.000 0.218 67 A C 2.383 179.951 177.584 -0.028 0.000 1.181 67 A CA 2.101 54.116 52.037 -0.037 0.000 0.627 67 A CB -1.047 17.919 19.000 -0.057 0.000 0.818 67 A HN 0.038 nan 8.150 nan 0.000 0.445 68 R N -0.079 120.409 120.500 -0.020 0.000 2.092 68 R HA -0.069 4.289 4.340 0.030 0.000 0.231 68 R C 2.200 178.476 176.300 -0.040 0.000 1.119 68 R CA 1.951 58.042 56.100 -0.015 0.000 0.970 68 R CB -0.623 29.675 30.300 -0.003 0.000 0.864 68 R HN 0.693 nan 8.270 nan 0.000 0.440 69 Q N -0.477 119.264 119.800 -0.098 0.000 2.050 69 Q HA -0.101 4.257 4.340 0.030 0.000 0.202 69 Q C 2.122 178.115 176.000 -0.012 0.000 0.980 69 Q CA 1.765 57.468 55.803 -0.168 0.000 0.840 69 Q CB -0.260 28.148 28.738 -0.549 0.000 0.898 69 Q HN 0.460 nan 8.270 nan 0.000 0.424 70 A N 1.285 124.132 122.820 0.045 0.000 1.883 70 A HA -0.179 4.159 4.320 0.030 0.000 0.217 70 A C 2.333 179.946 177.584 0.049 0.000 1.186 70 A CA 1.784 53.883 52.037 0.104 0.000 0.624 70 A CB -0.931 18.110 19.000 0.069 0.000 0.822 70 A HN 0.413 nan 8.150 nan 0.000 0.444 71 A N -0.788 122.041 122.820 0.016 0.000 1.883 71 A HA -0.151 4.187 4.320 0.030 0.000 0.217 71 A C 2.233 179.826 177.584 0.016 0.000 1.186 71 A CA 2.059 54.101 52.037 0.008 0.000 0.624 71 A CB -0.516 18.483 19.000 -0.002 0.000 0.822 71 A HN 0.458 nan 8.150 nan 0.000 0.444 72 M N -0.713 118.896 119.600 0.015 0.000 2.175 72 M HA -0.115 4.383 4.480 0.030 0.000 0.264 72 M C 2.144 178.461 176.300 0.027 0.000 1.063 72 M CA 1.935 57.245 55.300 0.016 0.000 1.119 72 M CB -0.966 31.638 32.600 0.008 0.000 1.377 72 M HN 0.567 nan 8.290 nan 0.000 0.415 73 K N 0.713 121.141 120.400 0.048 0.000 2.147 73 K HA -0.061 4.278 4.320 0.030 0.000 0.205 73 K C 1.658 178.281 176.600 0.038 0.000 1.049 73 K CA 1.473 57.795 56.287 0.058 0.000 0.936 73 K CB -0.037 32.528 32.500 0.109 0.000 0.722 73 K HN 0.241 nan 8.250 nan 0.000 0.446 74 A N -0.215 122.626 122.820 0.034 0.000 2.238 74 A HA 0.230 4.569 4.320 0.030 0.000 0.208 74 A C 1.330 178.923 177.584 0.015 0.000 1.177 74 A CA 0.706 52.756 52.037 0.022 0.000 0.804 74 A CB -0.479 18.533 19.000 0.020 0.000 0.823 74 A HN 0.577 nan 8.150 nan 0.000 0.482 75 G N -1.576 107.233 108.800 0.015 0.000 2.157 75 G HA2 -0.211 3.767 3.960 0.030 0.000 0.248 75 G HA3 -0.211 3.767 3.960 0.030 0.000 0.248 75 G C 0.217 175.123 174.900 0.010 0.000 0.979 75 G CA 0.074 45.180 45.100 0.011 0.000 0.650 75 G HN 0.766 nan 8.290 nan 0.000 0.529 76 V N 3.457 123.377 119.914 0.010 0.000 2.529 76 V HA 0.306 4.445 4.120 0.030 0.000 0.292 76 V C -0.630 175.470 176.094 0.010 0.000 1.028 76 V CA -0.583 61.722 62.300 0.009 0.000 1.074 76 V CB 0.840 32.667 31.823 0.007 0.000 0.958 76 V HN 0.322 nan 8.190 nan 0.000 0.481 77 P HA 0.054 nan 4.420 nan 0.000 0.272 77 P C 0.468 177.775 177.300 0.011 0.000 1.230 77 P CA -0.333 62.773 63.100 0.010 0.000 0.788 77 P CB 0.551 32.256 31.700 0.009 0.000 0.949 78 Q N 0.580 120.386 119.800 0.010 0.000 2.364 78 Q HA -0.173 4.185 4.340 0.030 0.000 0.207 78 Q C 0.808 176.815 176.000 0.012 0.000 0.970 78 Q CA 1.537 57.346 55.803 0.010 0.000 0.888 78 Q CB -0.389 28.354 28.738 0.008 0.000 0.951 78 Q HN 0.374 nan 8.270 nan 0.000 0.469 79 E N 1.427 121.634 120.200 0.012 0.000 2.347 79 E HA 0.096 4.464 4.350 0.030 0.000 0.196 79 E C 0.581 177.192 176.600 0.018 0.000 1.008 79 E CA 0.709 57.117 56.400 0.013 0.000 0.852 79 E CB 0.043 29.749 29.700 0.011 0.000 0.783 79 E HN 0.526 nan 8.360 nan 0.000 0.505 80 A N 0.629 123.461 122.820 0.020 0.000 2.292 80 A HA 0.445 4.783 4.320 0.030 0.000 0.265 80 A C 0.680 178.288 177.584 0.039 0.000 1.133 80 A CA 0.148 52.202 52.037 0.028 0.000 0.807 80 A CB 0.172 19.186 19.000 0.024 0.000 1.102 80 A HN 0.201 nan 8.150 nan 0.000 0.502 81 T N -3.321 111.268 114.554 0.059 0.000 2.888 81 T HA 0.843 5.211 4.350 0.030 0.000 0.288 81 T C -0.529 174.239 174.700 0.113 0.000 1.063 81 T CA -0.167 61.987 62.100 0.089 0.000 1.010 81 T CB 1.688 70.623 68.868 0.111 0.000 1.214 81 T HN 2.245 nan 8.240 nan 0.000 0.533 82 A N 0.752 123.674 122.820 0.169 0.000 2.582 82 A HA 0.701 5.039 4.320 0.030 0.000 0.297 82 A C -1.903 175.842 177.584 0.268 0.000 1.059 82 A CA -1.073 51.044 52.037 0.134 0.000 0.705 82 A CB 1.155 20.177 19.000 0.037 0.000 1.279 82 A HN 1.314 nan 8.150 nan 0.000 0.404 83 W N 1.085 122.372 121.300 -0.022 0.000 3.248 83 W HA 0.702 5.387 4.660 0.042 0.000 0.311 83 W C -0.318 176.187 176.519 -0.024 0.000 1.258 83 W CA -0.759 56.573 57.345 -0.023 0.000 1.191 83 W CB 0.899 30.346 29.460 -0.022 0.000 1.389 83 W HN 1.316 nan 8.180 nan 0.000 0.561 84 G N 1.447 110.364 108.800 0.196 0.000 2.461 84 G HA2 0.811 4.789 3.960 0.030 0.000 0.329 84 G HA3 0.811 4.789 3.960 0.030 0.000 0.329 84 G C -1.071 173.938 174.900 0.182 0.000 1.170 84 G CA -0.933 44.203 45.100 0.059 0.000 0.935 84 G HN 0.622 nan 8.290 nan 0.000 0.492 85 M N -0.707 118.928 119.600 0.059 0.000 2.644 85 M HA 0.637 5.135 4.480 0.030 0.000 0.273 85 M C -1.456 174.873 176.300 0.048 0.000 1.253 85 M CA -1.236 54.136 55.300 0.121 0.000 0.852 85 M CB 2.196 34.908 32.600 0.187 0.000 1.708 85 M HN 0.333 nan 8.290 nan 0.000 0.471 86 N N 0.784 119.522 118.700 0.063 0.000 2.607 86 N HA 0.312 5.070 4.740 0.030 0.000 0.271 86 N C -1.798 173.741 175.510 0.049 0.000 1.142 86 N CA -0.079 52.994 53.050 0.039 0.000 0.810 86 N CB 1.458 39.963 38.487 0.031 0.000 1.306 86 N HN 0.908 nan 8.380 nan 0.000 0.536 87 Q N 4.958 124.785 119.800 0.044 0.000 2.354 87 Q HA 0.362 4.721 4.340 0.030 0.000 0.372 87 Q C -0.282 175.752 176.000 0.055 0.000 0.923 87 Q CA -0.383 55.455 55.803 0.059 0.000 1.123 87 Q CB -0.078 28.703 28.738 0.072 0.000 1.298 87 Q HN 0.732 nan 8.270 nan 0.000 0.419 91 S N 0.867 116.582 115.700 0.025 0.000 2.359 91 S HA -0.043 4.445 4.470 0.030 0.000 0.224 91 S C 2.421 176.998 174.600 -0.038 0.000 1.035 91 S CA 1.854 60.049 58.200 -0.007 0.000 1.018 91 S CB -0.400 62.789 63.200 -0.018 0.000 0.876 91 S HN 0.652 nan 8.310 nan 0.000 0.448 92 G N 0.735 109.516 108.800 -0.031 0.000 2.443 92 G HA2 -0.082 3.896 3.960 0.030 0.000 0.219 92 G HA3 -0.082 3.896 3.960 0.030 0.000 0.219 92 G C 1.336 176.209 174.900 -0.046 0.000 1.131 92 G CA 0.483 45.555 45.100 -0.047 0.000 0.775 92 G HN 0.393 nan 8.290 nan 0.000 0.547 93 L N 0.268 121.479 121.223 -0.020 0.000 2.127 93 L HA 0.324 4.683 4.340 0.030 0.000 0.203 93 L C 2.645 179.470 176.870 -0.075 0.000 1.080 93 L CA 1.282 56.109 54.840 -0.021 0.000 0.768 93 L CB -0.438 41.640 42.059 0.032 0.000 0.924 93 L HN 0.160 nan 8.230 nan 0.000 0.444 94 R N 0.352 120.811 120.500 -0.068 0.000 2.105 94 R HA -0.093 4.265 4.340 0.030 0.000 0.239 94 R C 2.101 178.275 176.300 -0.209 0.000 1.135 94 R CA 1.659 57.673 56.100 -0.144 0.000 0.967 94 R CB -0.817 29.449 30.300 -0.056 0.000 0.861 94 R HN 0.441 nan 8.270 nan 0.000 0.442 95 A N -0.181 122.537 122.820 -0.170 0.000 1.908 95 A HA -0.126 4.213 4.320 0.030 0.000 0.218 95 A C 2.302 179.753 177.584 -0.221 0.000 1.181 95 A CA 1.866 53.768 52.037 -0.225 0.000 0.627 95 A CB -0.768 18.093 19.000 -0.232 0.000 0.818 95 A HN 0.192 nan 8.150 nan 0.000 0.445 96 V N -0.119 119.685 119.914 -0.182 0.000 2.287 96 V HA -0.283 3.856 4.120 0.030 0.000 0.248 96 V C 3.043 179.002 176.094 -0.224 0.000 1.053 96 V CA 2.084 64.285 62.300 -0.164 0.000 1.027 96 V CB -1.410 30.348 31.823 -0.108 0.000 0.646 96 V HN 0.627 nan 8.190 nan 0.000 0.447 97 A N -0.232 122.374 122.820 -0.356 0.000 1.902 97 A HA -0.141 4.197 4.320 0.030 0.000 0.217 97 A C 2.223 179.519 177.584 -0.480 0.000 1.181 97 A CA 1.797 53.469 52.037 -0.608 0.000 0.623 97 A CB -0.569 17.604 19.000 -1.379 0.000 0.818 97 A HN 0.508 nan 8.150 nan 0.000 0.443 98 L N -0.682 120.324 121.223 -0.360 0.000 2.083 98 L HA -0.117 4.241 4.340 0.030 0.000 0.209 98 L C 2.764 179.594 176.870 -0.066 0.000 1.083 98 L CA 1.033 55.777 54.840 -0.159 0.000 0.752 98 L CB -0.610 41.429 42.059 -0.033 0.000 0.899 98 L HN 0.490 nan 8.230 nan 0.000 0.433 99 G N -0.576 108.159 108.800 -0.108 0.000 2.403 99 G HA2 -0.262 3.716 3.960 0.030 0.000 0.216 99 G HA3 -0.262 3.716 3.960 0.030 0.000 0.216 99 G C 1.609 176.479 174.900 -0.050 0.000 1.154 99 G CA 0.514 45.574 45.100 -0.066 0.000 0.784 99 G HN 0.184 nan 8.290 nan 0.000 0.538 100 M N 0.659 120.210 119.600 -0.083 0.000 2.149 100 M HA -0.106 4.392 4.480 0.030 0.000 0.261 100 M C 2.308 178.595 176.300 -0.021 0.000 1.064 100 M CA 1.698 56.968 55.300 -0.051 0.000 1.102 100 M CB -0.761 31.798 32.600 -0.068 0.000 1.369 100 M HN 0.335 nan 8.290 nan 0.000 0.408 101 Q N -0.359 119.423 119.800 -0.031 0.000 2.230 101 Q HA -0.159 4.199 4.340 0.030 0.000 0.202 101 Q C 2.032 178.052 176.000 0.033 0.000 0.963 101 Q CA 1.200 57.014 55.803 0.017 0.000 0.866 101 Q CB -0.074 28.681 28.738 0.027 0.000 0.931 101 Q HN 0.566 nan 8.270 nan 0.000 0.452 102 Q N 0.414 120.237 119.800 0.037 0.000 2.084 102 Q HA -0.121 4.237 4.340 0.030 0.000 0.202 102 Q C 2.039 178.059 176.000 0.034 0.000 0.978 102 Q CA 1.272 57.105 55.803 0.050 0.000 0.844 102 Q CB -0.166 28.616 28.738 0.073 0.000 0.898 102 Q HN 0.481 nan 8.270 nan 0.000 0.426 103 I N 0.395 120.979 120.570 0.023 0.000 2.333 103 I HA -0.162 4.027 4.170 0.030 0.000 0.246 103 I C 2.292 178.422 176.117 0.022 0.000 1.106 103 I CA 0.839 62.150 61.300 0.019 0.000 1.411 103 I CB -0.404 37.602 38.000 0.011 0.000 1.082 103 I HN 0.036 nan 8.210 nan 0.000 0.420 104 A N 0.768 123.603 122.820 0.025 0.000 1.933 104 A HA -0.202 4.136 4.320 0.030 0.000 0.218 104 A C 2.282 179.884 177.584 0.029 0.000 1.175 104 A CA 2.274 54.329 52.037 0.030 0.000 0.628 104 A CB -1.090 17.935 19.000 0.042 0.000 0.814 104 A HN 0.516 nan 8.150 nan 0.000 0.444 105 T N -4.360 110.212 114.554 0.030 0.000 3.144 105 T HA 0.410 4.778 4.350 0.030 0.000 0.249 105 T C 1.255 175.967 174.700 0.021 0.000 1.089 105 T CA 0.984 63.100 62.100 0.026 0.000 0.989 105 T CB -0.045 68.840 68.868 0.028 0.000 0.992 105 T HN 1.697 nan 8.240 nan 0.000 0.540 106 G N 1.618 110.430 108.800 0.021 0.000 2.143 106 G HA2 -0.229 3.750 3.960 0.030 0.000 0.248 106 G HA3 -0.229 3.750 3.960 0.030 0.000 0.248 106 G C 0.443 175.354 174.900 0.017 0.000 0.991 106 G CA 0.266 45.377 45.100 0.018 0.000 0.689 106 G HN 0.550 nan 8.290 nan 0.000 0.522 107 D N 0.039 120.451 120.400 0.021 0.000 2.305 107 D HA 0.412 5.070 4.640 0.030 0.000 0.206 107 D C 1.377 177.693 176.300 0.027 0.000 0.974 107 D CA 1.422 55.435 54.000 0.022 0.000 0.871 107 D CB 0.455 41.269 40.800 0.024 0.000 0.947 107 D HN 0.975 nan 8.370 nan 0.000 0.516 108 A N -0.149 122.688 122.820 0.028 0.000 2.587 108 A HA 0.493 4.831 4.320 0.030 0.000 0.293 108 A C 0.501 178.097 177.584 0.020 0.000 1.087 108 A CA -0.204 51.849 52.037 0.028 0.000 0.692 108 A CB 1.445 20.467 19.000 0.038 0.000 1.291 108 A HN -0.051 nan 8.150 nan 0.000 0.407 109 S N -0.233 115.477 115.700 0.017 0.000 2.539 109 S HA 0.434 4.922 4.470 0.030 0.000 0.226 109 S C 0.237 174.843 174.600 0.009 0.000 1.054 109 S CA 0.251 58.459 58.200 0.013 0.000 0.910 109 S CB -0.092 63.115 63.200 0.011 0.000 0.818 109 S HN 0.565 nan 8.310 nan 0.000 0.490 110 I N 2.586 123.162 120.570 0.009 0.000 2.499 110 I HA 0.487 4.675 4.170 0.030 0.000 0.288 110 I C -1.383 174.735 176.117 0.002 0.000 1.048 110 I CA -0.819 60.483 61.300 0.004 0.000 1.062 110 I CB 2.058 40.061 38.000 0.004 0.000 1.238 110 I HN 0.146 nan 8.210 nan 0.000 0.426 111 I N 6.499 127.064 120.570 -0.009 0.000 2.545 111 I HA 0.417 4.606 4.170 0.030 0.000 0.292 111 I C -0.275 175.820 176.117 -0.037 0.000 1.040 111 I CA -0.835 60.452 61.300 -0.022 0.000 1.068 111 I CB 2.307 40.290 38.000 -0.028 0.000 1.251 111 I HN 0.111 nan 8.210 nan 0.000 0.424 112 V N 4.841 124.725 119.914 -0.050 0.000 2.394 112 V HA 0.822 4.960 4.120 0.030 0.000 0.282 112 V C 0.206 176.237 176.094 -0.104 0.000 1.031 112 V CA -0.425 61.839 62.300 -0.060 0.000 0.881 112 V CB 1.432 33.229 31.823 -0.043 0.000 0.982 112 V HN 0.904 nan 8.190 nan 0.000 0.451 113 A N 3.416 126.174 122.820 -0.104 0.000 2.486 113 A HA 1.025 5.364 4.320 0.030 0.000 0.300 113 A C 0.063 177.576 177.584 -0.118 0.000 1.048 113 A CA 0.171 52.119 52.037 -0.148 0.000 0.696 113 A CB 2.102 21.001 19.000 -0.168 0.000 1.278 113 A HN 1.375 nan 8.150 nan 0.000 0.405 114 G N -0.255 108.463 108.800 -0.136 0.000 2.593 114 G HA2 0.688 4.666 3.960 0.030 0.000 0.103 114 G HA3 0.688 4.666 3.960 0.030 0.000 0.103 114 G C -0.104 174.730 174.900 -0.110 0.000 1.103 114 G CA 0.524 45.564 45.100 -0.100 0.000 1.109 114 G HN 2.075 nan 8.290 nan 0.000 0.516 115 G N -0.668 108.080 108.800 -0.086 0.000 2.660 115 G HA2 0.763 4.741 3.960 0.030 0.000 0.290 115 G HA3 0.763 4.741 3.960 0.030 0.000 0.290 115 G C -0.828 174.023 174.900 -0.082 0.000 1.432 115 G CA 0.021 45.069 45.100 -0.087 0.000 0.807 115 G HN 1.480 nan 8.290 nan 0.000 0.485 116 M N -0.666 118.885 119.600 -0.082 0.000 2.465 116 M HA 0.900 5.398 4.480 0.030 0.000 0.284 116 M C -1.746 174.504 176.300 -0.084 0.000 1.212 116 M CA -0.950 54.295 55.300 -0.091 0.000 0.910 116 M CB 2.787 35.333 32.600 -0.089 0.000 1.725 116 M HN 0.465 nan 8.290 nan 0.000 0.477 117 E N 0.780 120.924 120.200 -0.093 0.000 2.347 117 E HA 0.481 4.849 4.350 0.030 0.000 0.285 117 E C -1.935 174.627 176.600 -0.065 0.000 0.925 117 E CA -0.154 56.200 56.400 -0.076 0.000 0.779 117 E CB 2.480 32.125 29.700 -0.092 0.000 1.233 117 E HN 0.713 nan 8.360 nan 0.000 0.414 118 S N 5.168 120.846 115.700 -0.036 0.000 2.532 118 S HA 0.284 4.772 4.470 0.030 0.000 0.256 118 S C 0.763 175.388 174.600 0.042 0.000 1.298 118 S CA -0.378 57.820 58.200 -0.003 0.000 1.166 118 S CB 0.138 63.327 63.200 -0.019 0.000 1.022 118 S HN 0.717 nan 8.310 nan 0.000 0.480 119 M N 2.109 121.754 119.600 0.076 0.000 2.159 119 M HA -0.068 4.430 4.480 0.030 0.000 0.263 119 M C 2.308 178.794 176.300 0.309 0.000 1.063 119 M CA 1.257 56.649 55.300 0.153 0.000 1.110 119 M CB -0.482 32.177 32.600 0.100 0.000 1.374 119 M HN 0.569 nan 8.290 nan 0.000 0.411 120 S N 0.410 116.258 115.700 0.248 0.000 2.365 120 S HA -0.106 4.382 4.470 0.030 0.000 0.225 120 S C 1.745 176.355 174.600 0.016 0.000 1.039 120 S CA 1.259 59.473 58.200 0.024 0.000 1.033 120 S CB -0.170 62.986 63.200 -0.072 0.000 0.887 120 S HN 0.423 nan 8.310 nan 0.000 0.447 121 M N 0.956 120.579 119.600 0.038 0.000 2.618 121 M HA 0.256 4.755 4.480 0.030 0.000 0.240 121 M C 0.770 177.103 176.300 0.055 0.000 1.123 121 M CA -0.147 55.174 55.300 0.034 0.000 1.060 121 M CB -1.542 31.072 32.600 0.023 0.000 1.535 121 M HN 0.169 nan 8.290 nan 0.000 0.507 122 A N 3.444 126.307 122.820 0.073 0.000 2.520 122 A HA 0.324 4.662 4.320 0.030 0.000 0.245 122 A C -1.933 175.694 177.584 0.071 0.000 1.072 122 A CA -0.713 51.361 52.037 0.060 0.000 0.761 122 A CB -0.706 18.327 19.000 0.055 0.000 1.004 122 A HN 0.169 nan 8.150 nan 0.000 0.499 123 P HA 0.371 nan 4.420 nan 0.000 0.280 123 P C -0.821 176.523 177.300 0.073 0.000 1.272 123 P CA -0.360 62.803 63.100 0.106 0.000 0.819 123 P CB 0.674 32.428 31.700 0.089 0.000 1.122 124 H N -1.023 118.079 119.070 0.053 0.000 2.511 124 H HA 0.461 5.035 4.556 0.030 0.000 0.346 124 H C 0.307 175.673 175.328 0.063 0.000 1.128 124 H CA 0.133 56.216 56.048 0.058 0.000 1.342 124 H CB 0.392 30.185 29.762 0.052 0.000 1.470 124 H HN 0.632 nan 8.280 nan 0.000 0.546 125 C N 0.881 120.278 119.300 0.162 0.000 3.173 125 C HA 0.980 5.458 4.460 0.030 0.000 0.310 125 C C -0.887 174.200 174.990 0.161 0.000 1.306 125 C CA -0.622 58.477 59.018 0.135 0.000 1.426 125 C CB 0.697 28.489 27.740 0.087 0.000 1.800 125 C HN 1.023 nan 8.230 nan 0.000 0.470 126 A N 0.697 123.615 122.820 0.164 0.000 2.547 126 A HA 0.661 4.999 4.320 0.030 0.000 0.297 126 A C -1.099 176.560 177.584 0.124 0.000 1.056 126 A CA -0.270 51.874 52.037 0.178 0.000 0.688 126 A CB 0.759 19.938 19.000 0.300 0.000 1.282 126 A HN 1.282 nan 8.150 nan 0.000 0.400 127 H N 2.934 122.004 119.070 0.001 0.000 3.015 127 H HA 0.374 4.948 4.556 0.030 0.000 0.268 127 H C -0.454 174.809 175.328 -0.108 0.000 1.113 127 H CA 0.268 56.291 56.048 -0.041 0.000 1.479 127 H CB 0.455 30.197 29.762 -0.034 0.000 1.493 127 H HN 0.543 nan 8.280 nan 0.000 0.486 128 L N 4.923 125.909 121.223 -0.395 0.000 2.858 128 L HA 0.183 4.541 4.340 0.030 0.000 0.251 128 L C 2.243 178.868 176.870 -0.408 0.000 1.149 128 L CA -0.099 54.493 54.840 -0.412 0.000 0.955 128 L CB 0.225 42.135 42.059 -0.248 0.000 1.289 128 L HN 0.548 nan 8.230 nan 0.000 0.542 129 R N 0.477 120.659 120.500 -0.530 0.000 2.092 129 R HA -0.038 4.320 4.340 0.030 0.000 0.231 129 R C 2.145 178.305 176.300 -0.233 0.000 1.119 129 R CA 1.375 57.301 56.100 -0.290 0.000 0.970 129 R CB -0.316 29.890 30.300 -0.157 0.000 0.864 129 R HN 0.340 nan 8.270 nan 0.000 0.440 130 G N 0.348 108.962 108.800 -0.310 0.000 2.650 130 G HA2 0.192 4.170 3.960 0.030 0.000 0.214 130 G HA3 0.192 4.170 3.960 0.030 0.000 0.214 130 G C 0.494 175.302 174.900 -0.152 0.000 1.136 130 G CA 0.406 45.412 45.100 -0.158 0.000 0.789 130 G HN 0.572 nan 8.290 nan 0.000 0.536 131 G N -1.532 107.141 108.800 -0.211 0.000 2.755 131 G HA2 0.006 3.984 3.960 0.030 0.000 0.686 131 G HA3 0.006 3.984 3.960 0.030 0.000 0.686 131 G C -0.578 174.210 174.900 -0.187 0.000 1.427 131 G CA -0.420 44.572 45.100 -0.180 0.000 0.873 131 G HN 0.888 nan 8.290 nan 0.000 0.580 132 V N 3.182 122.983 119.914 -0.187 0.000 2.275 132 V HA 0.311 4.450 4.120 0.030 0.000 0.272 132 V C 1.368 177.431 176.094 -0.052 0.000 1.028 132 V CA -0.574 61.639 62.300 -0.146 0.000 0.810 132 V CB 1.183 32.871 31.823 -0.224 0.000 1.043 132 V HN 0.785 nan 8.190 nan 0.000 0.453 133 K N 3.710 124.090 120.400 -0.033 0.000 2.097 133 K HA 0.061 4.399 4.320 0.030 0.000 0.206 133 K C 0.520 177.125 176.600 0.009 0.000 1.049 133 K CA 1.461 57.741 56.287 -0.012 0.000 0.933 133 K CB 0.096 32.591 32.500 -0.009 0.000 0.717 133 K HN 0.817 nan 8.250 nan 0.000 0.442 134 M N -3.390 116.223 119.600 0.022 0.000 2.694 134 M HA 0.419 4.917 4.480 0.030 0.000 0.276 134 M C -0.996 175.340 176.300 0.059 0.000 1.167 134 M CA -0.054 55.270 55.300 0.040 0.000 0.849 134 M CB 1.964 34.582 32.600 0.029 0.000 1.705 134 M HN 0.201 nan 8.290 nan 0.000 0.504 135 G N 1.766 110.608 108.800 0.070 0.000 2.712 135 G HA2 -0.033 3.946 3.960 0.030 0.000 0.686 135 G HA3 -0.033 3.946 3.960 0.030 0.000 0.686 135 G C -1.438 173.538 174.900 0.126 0.000 1.321 135 G CA -0.296 44.850 45.100 0.077 0.000 0.813 135 G HN 1.024 nan 8.290 nan 0.000 0.599 136 D N -0.247 120.211 120.400 0.096 0.000 2.368 136 D HA 0.587 5.245 4.640 0.030 0.000 0.240 136 D C 0.643 177.053 176.300 0.184 0.000 1.169 136 D CA 1.152 55.202 54.000 0.082 0.000 0.906 136 D CB 0.609 41.412 40.800 0.005 0.000 1.187 136 D HN 0.747 nan 8.370 nan 0.000 0.435 137 F N -2.447 117.515 119.950 0.020 0.000 2.643 137 F HA 0.555 5.100 4.527 0.030 0.000 0.314 137 F C -0.639 175.181 175.800 0.034 0.000 1.096 137 F CA -1.323 56.693 58.000 0.026 0.000 0.953 137 F CB 1.292 40.306 39.000 0.023 0.000 1.345 137 F HN -0.112 nan 8.300 nan 0.000 0.468 138 K N 2.435 122.928 120.400 0.155 0.000 2.156 138 K HA 0.437 4.775 4.320 0.030 0.000 0.271 138 K C -0.729 175.954 176.600 0.138 0.000 0.995 138 K CA -0.864 55.458 56.287 0.059 0.000 0.890 138 K CB 1.306 33.862 32.500 0.094 0.000 1.073 138 K HN 0.536 nan 8.250 nan 0.000 0.454 139 M N 4.199 123.830 119.600 0.052 0.000 2.108 139 M HA 0.223 4.721 4.480 0.030 0.000 0.347 139 M C -0.267 176.148 176.300 0.191 0.000 1.326 139 M CA -0.451 54.941 55.300 0.153 0.000 1.126 139 M CB 0.180 32.845 32.600 0.109 0.000 1.606 139 M HN 0.376 nan 8.290 nan 0.000 0.462 140 I N 2.797 123.459 120.570 0.154 0.000 2.395 140 I HA 0.080 4.269 4.170 0.030 0.000 0.289 140 I C 0.607 176.693 176.117 -0.052 0.000 1.023 140 I CA -0.374 60.970 61.300 0.074 0.000 1.350 140 I CB 0.663 38.697 38.000 0.056 0.000 1.409 140 I HN 0.491 nan 8.210 nan 0.000 0.507 141 D N 5.184 125.475 120.400 -0.183 0.000 2.342 141 D HA -0.016 4.642 4.640 0.030 0.000 0.260 141 D C 1.462 177.648 176.300 -0.191 0.000 1.278 141 D CA 0.076 53.815 54.000 -0.436 0.000 0.910 141 D CB 1.009 41.607 40.800 -0.337 0.000 1.079 141 D HN 0.703 nan 8.370 nan 0.000 0.496 142 T N 1.431 115.893 114.554 -0.153 0.000 2.833 142 T HA -0.247 4.121 4.350 0.030 0.000 0.269 142 T C 2.016 176.679 174.700 -0.060 0.000 1.054 142 T CA 0.896 62.954 62.100 -0.070 0.000 1.135 142 T CB -0.198 68.649 68.868 -0.035 0.000 0.869 142 T HN 0.500 nan 8.240 nan 0.000 0.466 143 M N 0.417 119.980 119.600 -0.062 0.000 2.080 143 M HA -0.065 4.433 4.480 0.030 0.000 0.260 143 M C 1.903 178.170 176.300 -0.055 0.000 1.068 143 M CA 1.852 57.127 55.300 -0.042 0.000 1.109 143 M CB -0.249 32.345 32.600 -0.009 0.000 1.342 143 M HN 0.176 nan 8.290 nan 0.000 0.405 144 I N 0.557 121.097 120.570 -0.048 0.000 2.233 144 I HA -0.216 3.972 4.170 0.030 0.000 0.243 144 I C 2.387 178.478 176.117 -0.044 0.000 1.093 144 I CA 1.416 62.698 61.300 -0.030 0.000 1.380 144 I CB -1.522 36.490 38.000 0.021 0.000 1.067 144 I HN 0.333 nan 8.210 nan 0.000 0.413 145 K N 1.467 121.843 120.400 -0.041 0.000 2.025 145 K HA -0.158 4.180 4.320 0.030 0.000 0.207 145 K C 1.482 178.048 176.600 -0.056 0.000 1.049 145 K CA 1.753 58.016 56.287 -0.041 0.000 0.933 145 K CB -0.132 32.348 32.500 -0.032 0.000 0.714 145 K HN 0.168 nan 8.250 nan 0.000 0.438 146 D N -1.455 118.914 120.400 -0.053 0.000 2.346 146 D HA 0.093 4.752 4.640 0.030 0.000 0.206 146 D C 1.509 177.777 176.300 -0.052 0.000 1.001 146 D CA 1.012 54.981 54.000 -0.051 0.000 0.871 146 D CB 0.457 41.234 40.800 -0.039 0.000 0.943 146 D HN 0.434 nan 8.370 nan 0.000 0.518 147 G N -0.248 108.516 108.800 -0.060 0.000 2.651 147 G HA2 0.105 4.083 3.960 0.030 0.000 0.207 147 G HA3 0.105 4.083 3.960 0.030 0.000 0.207 147 G C 1.329 176.181 174.900 -0.080 0.000 1.131 147 G CA -0.026 45.035 45.100 -0.064 0.000 0.816 147 G HN 0.198 nan 8.290 nan 0.000 0.534 148 L N 0.426 121.574 121.223 -0.126 0.000 3.039 148 L HA 0.292 4.650 4.340 0.030 0.000 0.269 148 L C 0.115 176.801 176.870 -0.307 0.000 1.169 148 L CA 0.119 54.805 54.840 -0.257 0.000 0.986 148 L CB 1.242 43.082 42.059 -0.366 0.000 1.377 148 L HN -0.073 nan 8.230 nan 0.000 0.575 149 T N -0.064 114.401 114.554 -0.149 0.000 2.794 149 T HA 0.190 4.558 4.350 0.030 0.000 0.280 149 T C -0.651 174.012 174.700 -0.062 0.000 0.987 149 T CA -0.320 61.736 62.100 -0.075 0.000 0.993 149 T CB 2.069 70.916 68.868 -0.035 0.000 0.939 149 T HN -0.033 nan 8.240 nan 0.000 0.449 150 D N 1.640 122.028 120.400 -0.020 0.000 2.351 150 D HA 0.399 5.058 4.640 0.030 0.000 0.251 150 D C 0.983 177.174 176.300 -0.183 0.000 1.137 150 D CA -0.333 53.644 54.000 -0.039 0.000 0.879 150 D CB 0.826 41.651 40.800 0.041 0.000 1.181 150 D HN 0.515 nan 8.370 nan 0.000 0.448 151 A N 3.121 125.708 122.820 -0.387 0.000 2.119 151 A HA 0.007 4.345 4.320 0.030 0.000 0.216 151 A C 1.247 178.378 177.584 -0.754 0.000 1.152 151 A CA 0.638 52.299 52.037 -0.626 0.000 0.708 151 A CB -0.420 18.078 19.000 -0.837 0.000 0.805 151 A HN 0.625 nan 8.150 nan 0.000 0.460 152 F N -2.854 116.994 119.950 -0.170 0.000 2.343 152 F HA 0.166 4.711 4.527 0.030 0.000 0.286 152 F C 1.711 177.190 175.800 -0.534 0.000 1.057 152 F CA 0.650 58.446 58.000 -0.341 0.000 1.365 152 F CB -0.401 38.374 39.000 -0.375 0.000 1.114 152 F HN 0.199 nan 8.300 nan 0.000 0.545 153 Y N -0.436 119.755 120.300 -0.182 0.000 2.458 153 Y HA 0.389 4.957 4.550 0.030 0.000 0.254 153 Y C 2.017 177.629 175.900 -0.480 0.000 1.120 153 Y CA 0.219 58.057 58.100 -0.437 0.000 1.282 153 Y CB 0.130 38.038 38.460 -0.920 0.000 1.109 153 Y HN 0.173 nan 8.280 nan 0.000 0.526 154 G N -0.147 108.512 108.800 -0.236 0.000 2.179 154 G HA2 -0.345 3.634 3.960 0.030 0.000 0.260 154 G HA3 -0.345 3.634 3.960 0.030 0.000 0.260 154 G C -0.028 174.878 174.900 0.010 0.000 0.977 154 G CA 0.484 45.521 45.100 -0.105 0.000 0.641 154 G HN 0.411 nan 8.290 nan 0.000 0.533 155 Y N -0.129 120.238 120.300 0.111 0.000 2.519 155 Y HA 0.815 5.383 4.550 0.030 0.000 0.324 155 Y C 0.619 176.574 175.900 0.091 0.000 1.214 155 Y CA -2.707 55.453 58.100 0.101 0.000 1.260 155 Y CB 0.264 38.775 38.460 0.084 0.000 1.311 155 Y HN 0.273 nan 8.280 nan 0.000 0.505 156 H N 2.297 121.519 119.070 0.254 0.000 2.757 156 H HA 0.073 4.647 4.556 0.030 0.000 0.370 156 H C 1.100 176.424 175.328 -0.006 0.000 1.172 156 H CA 0.094 56.207 56.048 0.108 0.000 1.426 156 H CB 1.066 30.898 29.762 0.117 0.000 1.438 156 H HN 0.824 nan 8.280 nan 0.000 0.612 157 M N 2.981 122.597 119.600 0.027 0.000 2.195 157 M HA -0.127 4.372 4.480 0.030 0.000 0.260 157 M C 2.310 178.453 176.300 -0.260 0.000 1.066 157 M CA 1.492 56.831 55.300 0.065 0.000 1.089 157 M CB -1.606 31.124 32.600 0.216 0.000 1.377 157 M HN 0.796 nan 8.290 nan 0.000 0.411 158 G N -0.790 107.770 108.800 -0.400 0.000 2.448 158 G HA2 -0.186 3.792 3.960 0.030 0.000 0.219 158 G HA3 -0.186 3.792 3.960 0.030 0.000 0.219 158 G C 1.567 175.733 174.900 -1.224 0.000 1.127 158 G CA 1.415 45.453 45.100 -1.770 0.000 0.766 158 G HN 0.423 nan 8.290 nan 0.000 0.552 159 T N 0.794 114.883 114.554 -0.774 0.000 2.904 159 T HA -0.108 4.261 4.350 0.030 0.000 0.267 159 T C 2.840 177.189 174.700 -0.585 0.000 1.059 159 T CA 1.934 63.652 62.100 -0.637 0.000 1.137 159 T CB -0.415 67.967 68.868 -0.810 0.000 0.879 159 T HN 0.585 nan 8.240 nan 0.000 0.467 160 T N 1.053 115.354 114.554 -0.422 0.000 2.788 160 T HA -0.000 4.368 4.350 0.030 0.000 0.268 160 T C 2.256 176.756 174.700 -0.333 0.000 1.044 160 T CA 1.185 63.134 62.100 -0.251 0.000 1.139 160 T CB -0.567 68.259 68.868 -0.070 0.000 0.867 160 T HN 0.287 nan 8.240 nan 0.000 0.454 161 A N 1.944 124.417 122.820 -0.579 0.000 1.908 161 A HA -0.126 4.212 4.320 0.030 0.000 0.218 161 A C 2.465 179.849 177.584 -0.335 0.000 1.181 161 A CA 1.677 53.372 52.037 -0.571 0.000 0.627 161 A CB -0.670 17.642 19.000 -1.146 0.000 0.818 161 A HN 0.516 nan 8.150 nan 0.000 0.445 162 E N 0.397 120.398 120.200 -0.332 0.000 2.085 162 E HA -0.181 4.187 4.350 0.030 0.000 0.194 162 E C 1.753 178.261 176.600 -0.153 0.000 0.994 162 E CA 1.251 57.532 56.400 -0.198 0.000 0.801 162 E CB -0.457 29.128 29.700 -0.193 0.000 0.743 162 E HN 0.593 nan 8.360 nan 0.000 0.453 163 N N 0.415 119.001 118.700 -0.190 0.000 2.166 163 N HA -0.118 4.640 4.740 0.030 0.000 0.186 163 N C 1.988 177.476 175.510 -0.038 0.000 1.019 163 N CA 0.782 53.758 53.050 -0.123 0.000 0.856 163 N CB -0.364 38.036 38.487 -0.144 0.000 0.993 163 N HN 0.018 nan 8.380 nan 0.000 0.426 164 V N 1.250 121.143 119.914 -0.034 0.000 2.453 164 V HA -0.091 4.047 4.120 0.030 0.000 0.247 164 V C 2.374 178.536 176.094 0.113 0.000 1.048 164 V CA 1.493 63.838 62.300 0.075 0.000 1.049 164 V CB -0.922 30.886 31.823 -0.025 0.000 0.672 164 V HN 0.265 nan 8.190 nan 0.000 0.457 165 A N 0.029 122.853 122.820 0.006 0.000 1.908 165 A HA -0.258 4.081 4.320 0.030 0.000 0.218 165 A C 2.306 179.922 177.584 0.054 0.000 1.181 165 A CA 2.078 54.128 52.037 0.022 0.000 0.627 165 A CB -0.391 18.597 19.000 -0.020 0.000 0.818 165 A HN 0.554 nan 8.150 nan 0.000 0.445 166 K N -1.046 119.369 120.400 0.025 0.000 2.031 166 K HA -0.137 4.202 4.320 0.030 0.000 0.205 166 K C 2.398 179.012 176.600 0.023 0.000 1.049 166 K CA 1.441 57.736 56.287 0.012 0.000 0.939 166 K CB -0.215 32.274 32.500 -0.019 0.000 0.717 166 K HN 0.576 nan 8.250 nan 0.000 0.438 167 Q N -0.490 119.336 119.800 0.042 0.000 2.096 167 Q HA -0.174 4.184 4.340 0.030 0.000 0.204 167 Q C 1.066 177.010 176.000 -0.093 0.000 0.982 167 Q CA 1.630 57.420 55.803 -0.022 0.000 0.850 167 Q CB 0.035 28.783 28.738 0.017 0.000 0.901 167 Q HN 0.381 nan 8.270 nan 0.000 0.422 168 W N 0.304 121.576 121.300 -0.047 0.000 3.316 168 W HA 0.205 4.885 4.660 0.032 0.000 0.327 168 W C -0.181 176.318 176.519 -0.035 0.000 1.232 168 W CA -0.158 57.162 57.345 -0.041 0.000 1.805 168 W CB 0.383 29.815 29.460 -0.047 0.000 1.090 168 W HN 0.104 nan 8.180 nan 0.000 0.654 169 Q N 0.423 120.297 119.800 0.123 0.000 2.451 169 Q HA -0.213 4.145 4.340 0.030 0.000 0.305 169 Q C -0.489 175.559 176.000 0.079 0.000 1.345 169 Q CA 0.452 56.296 55.803 0.069 0.000 0.854 169 Q CB -2.113 26.645 28.738 0.033 0.000 1.162 169 Q HN 0.332 nan 8.270 nan 0.000 0.440 170 L N 1.364 122.636 121.223 0.083 0.000 2.260 170 L HA 0.268 4.627 4.340 0.030 0.000 0.289 170 L C 1.073 177.964 176.870 0.035 0.000 1.057 170 L CA -0.398 54.474 54.840 0.055 0.000 0.811 170 L CB 1.063 43.140 42.059 0.031 0.000 1.184 170 L HN 0.218 nan 8.230 nan 0.000 0.429 171 S N 2.038 117.759 115.700 0.035 0.000 2.584 171 S HA 0.102 4.590 4.470 0.030 0.000 0.270 171 S C 1.012 175.632 174.600 0.032 0.000 1.346 171 S CA -0.628 57.591 58.200 0.031 0.000 1.018 171 S CB 1.397 64.617 63.200 0.033 0.000 0.899 171 S HN 0.693 nan 8.310 nan 0.000 0.542 172 R N 1.085 121.604 120.500 0.031 0.000 2.091 172 R HA -0.125 4.233 4.340 0.030 0.000 0.238 172 R C 1.216 177.542 176.300 0.044 0.000 1.136 172 R CA 2.274 58.396 56.100 0.036 0.000 0.959 172 R CB -1.180 29.137 30.300 0.030 0.000 0.856 172 R HN 0.787 nan 8.270 nan 0.000 0.437 173 D N 0.100 120.523 120.400 0.039 0.000 2.123 173 D HA -0.186 4.472 4.640 0.030 0.000 0.196 173 D C 1.683 178.017 176.300 0.057 0.000 0.992 173 D CA 1.617 55.643 54.000 0.044 0.000 0.833 173 D CB -0.294 40.528 40.800 0.036 0.000 0.954 173 D HN 0.551 nan 8.370 nan 0.000 0.455 174 E N 0.477 120.711 120.200 0.057 0.000 2.051 174 E HA -0.217 4.151 4.350 0.030 0.000 0.192 174 E C 1.950 178.609 176.600 0.097 0.000 0.991 174 E CA 0.986 57.429 56.400 0.072 0.000 0.799 174 E CB 0.069 29.802 29.700 0.055 0.000 0.748 174 E HN 0.300 nan 8.360 nan 0.000 0.449 175 Q N 0.172 120.016 119.800 0.073 0.000 2.096 175 Q HA -0.186 4.172 4.340 0.030 0.000 0.204 175 Q C 1.894 177.985 176.000 0.151 0.000 0.982 175 Q CA 1.618 57.477 55.803 0.092 0.000 0.850 175 Q CB -0.029 28.747 28.738 0.062 0.000 0.901 175 Q HN 0.317 nan 8.270 nan 0.000 0.422 176 D N 0.352 120.818 120.400 0.110 0.000 2.117 176 D HA -0.105 4.554 4.640 0.030 0.000 0.198 176 D C 1.805 178.166 176.300 0.102 0.000 0.982 176 D CA 1.311 55.369 54.000 0.098 0.000 0.828 176 D CB -0.260 40.579 40.800 0.065 0.000 0.967 176 D HN 0.258 nan 8.370 nan 0.000 0.464 177 A N 0.338 123.220 122.820 0.103 0.000 1.908 177 A HA -0.195 4.144 4.320 0.030 0.000 0.218 177 A C 2.153 179.808 177.584 0.118 0.000 1.181 177 A CA 1.142 53.233 52.037 0.091 0.000 0.627 177 A CB -1.101 17.950 19.000 0.085 0.000 0.818 177 A HN 0.280 nan 8.150 nan 0.000 0.445 178 F N 0.861 120.824 119.950 0.023 0.000 2.126 178 F HA -0.110 4.435 4.527 0.030 0.000 0.299 178 F C 2.525 178.338 175.800 0.021 0.000 1.096 178 F CA 1.357 59.371 58.000 0.024 0.000 1.255 178 F CB -0.299 38.718 39.000 0.029 0.000 0.997 178 F HN 0.262 nan 8.300 nan 0.000 0.479 179 A N -0.177 122.779 122.820 0.226 0.000 1.877 179 A HA -0.141 4.197 4.320 0.030 0.000 0.216 179 A C 2.264 179.844 177.584 -0.008 0.000 1.186 179 A CA 2.030 54.138 52.037 0.119 0.000 0.620 179 A CB -1.389 17.694 19.000 0.140 0.000 0.822 179 A HN 0.258 nan 8.150 nan 0.000 0.443 180 V N -0.009 119.905 119.914 -0.000 0.000 2.332 180 V HA -0.267 3.872 4.120 0.030 0.000 0.248 180 V C 3.033 179.086 176.094 -0.069 0.000 1.055 180 V CA 1.986 64.270 62.300 -0.027 0.000 1.038 180 V CB -1.362 30.455 31.823 -0.009 0.000 0.651 180 V HN 0.618 nan 8.190 nan 0.000 0.450 181 A N -0.730 122.027 122.820 -0.104 0.000 1.933 181 A HA -0.234 4.104 4.320 0.030 0.000 0.218 181 A C 2.550 180.010 177.584 -0.207 0.000 1.175 181 A CA 2.161 54.104 52.037 -0.157 0.000 0.628 181 A CB -0.756 18.132 19.000 -0.186 0.000 0.814 181 A HN 0.470 nan 8.150 nan 0.000 0.444 182 S N -1.066 114.467 115.700 -0.278 0.000 2.356 182 S HA -0.198 4.290 4.470 0.030 0.000 0.223 182 S C 2.236 176.774 174.600 -0.104 0.000 1.032 182 S CA 1.602 59.670 58.200 -0.219 0.000 1.005 182 S CB -0.347 62.722 63.200 -0.217 0.000 0.867 182 S HN 0.593 nan 8.310 nan 0.000 0.449 183 Q N 1.120 120.868 119.800 -0.086 0.000 2.050 183 Q HA -0.052 4.306 4.340 0.030 0.000 0.202 183 Q C 1.954 177.911 176.000 -0.071 0.000 0.980 183 Q CA 1.566 57.329 55.803 -0.066 0.000 0.840 183 Q CB -0.875 27.825 28.738 -0.064 0.000 0.898 183 Q HN 0.701 nan 8.270 nan 0.000 0.424 184 N N 0.210 118.863 118.700 -0.078 0.000 2.216 184 N HA -0.094 4.664 4.740 0.030 0.000 0.183 184 N C 1.738 177.200 175.510 -0.081 0.000 1.017 184 N CA 0.599 53.601 53.050 -0.080 0.000 0.861 184 N CB 0.081 38.526 38.487 -0.070 0.000 0.986 184 N HN 0.162 nan 8.380 nan 0.000 0.428 185 K N 0.816 121.169 120.400 -0.078 0.000 2.062 185 K HA 0.017 4.355 4.320 0.030 0.000 0.205 185 K C 2.158 178.737 176.600 -0.035 0.000 1.051 185 K CA 0.947 57.193 56.287 -0.068 0.000 0.941 185 K CB -0.038 32.416 32.500 -0.077 0.000 0.719 185 K HN 0.116 nan 8.250 nan 0.000 0.440 186 A N 1.571 124.398 122.820 0.011 0.000 1.898 186 A HA -0.226 4.113 4.320 0.030 0.000 0.216 186 A C 2.064 179.702 177.584 0.090 0.000 1.181 186 A CA 1.625 53.742 52.037 0.134 0.000 0.620 186 A CB -0.447 18.628 19.000 0.124 0.000 0.819 186 A HN 0.398 nan 8.150 nan 0.000 0.442 187 E N -0.037 120.132 120.200 -0.052 0.000 2.058 187 E HA -0.158 4.210 4.350 0.030 0.000 0.194 187 E C 2.163 178.670 176.600 -0.154 0.000 0.997 187 E CA 1.174 57.455 56.400 -0.200 0.000 0.801 187 E CB -0.287 29.225 29.700 -0.312 0.000 0.746 187 E HN 0.519 nan 8.360 nan 0.000 0.450 188 A N 1.380 124.128 122.820 -0.120 0.000 1.865 188 A HA -0.165 4.173 4.320 0.030 0.000 0.217 188 A C 2.468 179.972 177.584 -0.134 0.000 1.191 188 A CA 2.207 54.176 52.037 -0.112 0.000 0.623 188 A CB -1.065 17.877 19.000 -0.097 0.000 0.826 188 A HN 0.447 nan 8.150 nan 0.000 0.444 189 A N -0.867 121.848 122.820 -0.175 0.000 1.883 189 A HA -0.273 4.065 4.320 0.030 0.000 0.217 189 A C 2.246 179.613 177.584 -0.362 0.000 1.186 189 A CA 2.068 53.892 52.037 -0.355 0.000 0.624 189 A CB -0.685 17.959 19.000 -0.594 0.000 0.822 189 A HN 0.708 nan 8.150 nan 0.000 0.444 190 Q N -0.360 119.364 119.800 -0.127 0.000 2.050 190 Q HA -0.202 4.156 4.340 0.030 0.000 0.202 190 Q C 2.046 178.054 176.000 0.013 0.000 0.980 190 Q CA 1.839 57.694 55.803 0.088 0.000 0.840 190 Q CB -0.162 28.730 28.738 0.256 0.000 0.898 190 Q HN 0.650 nan 8.270 nan 0.000 0.424 191 K N 0.099 120.482 120.400 -0.028 0.000 2.103 191 K HA -0.149 4.189 4.320 0.030 0.000 0.207 191 K C 1.482 178.057 176.600 -0.041 0.000 1.048 191 K CA 1.399 57.671 56.287 -0.025 0.000 0.930 191 K CB 0.021 32.492 32.500 -0.049 0.000 0.716 191 K HN 0.283 nan 8.250 nan 0.000 0.444 192 D N -0.965 119.389 120.400 -0.077 0.000 2.347 192 D HA 0.005 4.663 4.640 0.030 0.000 0.213 192 D C 0.947 177.199 176.300 -0.081 0.000 0.985 192 D CA 0.861 54.814 54.000 -0.079 0.000 0.879 192 D CB 0.583 41.322 40.800 -0.101 0.000 0.919 192 D HN 0.441 nan 8.370 nan 0.000 0.526 193 G N 0.939 109.686 108.800 -0.089 0.000 2.134 193 G HA2 -0.305 3.674 3.960 0.030 0.000 0.209 193 G HA3 -0.305 3.674 3.960 0.030 0.000 0.209 193 G C 1.120 175.950 174.900 -0.117 0.000 0.993 193 G CA -0.047 45.013 45.100 -0.068 0.000 0.669 193 G HN 0.299 nan 8.290 nan 0.000 0.519 194 R N -0.894 119.459 120.500 -0.244 0.000 2.276 194 R HA 0.177 4.535 4.340 0.030 0.000 0.203 194 R C 1.470 177.588 176.300 -0.304 0.000 1.017 194 R CA 0.892 56.812 56.100 -0.299 0.000 1.010 194 R CB -0.189 29.870 30.300 -0.401 0.000 0.900 194 R HN 0.415 nan 8.270 nan 0.000 0.469 195 F N 0.784 120.713 119.950 -0.035 0.000 2.789 195 F HA 0.116 4.659 4.527 0.026 0.000 0.300 195 F C 2.126 177.869 175.800 -0.094 0.000 1.132 195 F CA 0.070 58.038 58.000 -0.054 0.000 1.404 195 F CB -0.199 38.788 39.000 -0.022 0.000 1.114 195 F HN -0.123 nan 8.300 nan 0.000 0.584 196 K N 0.755 121.177 120.400 0.037 0.000 2.032 196 K HA -0.191 4.147 4.320 0.030 0.000 0.209 196 K C 1.487 178.024 176.600 -0.105 0.000 1.048 196 K CA 2.043 58.322 56.287 -0.013 0.000 0.927 196 K CB -0.100 32.391 32.500 -0.016 0.000 0.712 196 K HN 0.040 nan 8.250 nan 0.000 0.441 197 D N 0.644 120.933 120.400 -0.185 0.000 2.097 197 D HA -0.195 4.464 4.640 0.030 0.000 0.195 197 D C 1.912 177.757 176.300 -0.759 0.000 0.989 197 D CA 1.673 55.459 54.000 -0.358 0.000 0.827 197 D CB -0.190 40.424 40.800 -0.309 0.000 0.966 197 D HN 0.587 nan 8.370 nan 0.000 0.456 198 E N 0.585 120.279 120.200 -0.844 0.000 2.107 198 E HA -0.099 4.269 4.350 0.030 0.000 0.191 198 E C 0.841 177.270 176.600 -0.286 0.000 0.982 198 E CA 0.335 56.235 56.400 -0.833 0.000 0.809 198 E CB -0.106 29.381 29.700 -0.356 0.000 0.756 198 E HN 0.223 nan 8.360 nan 0.000 0.459 199 I N 2.632 123.118 120.570 -0.140 0.000 2.556 199 I HA 0.023 4.212 4.170 0.030 0.000 0.284 199 I C -0.100 175.999 176.117 -0.031 0.000 1.114 199 I CA -0.396 60.879 61.300 -0.041 0.000 1.418 199 I CB 1.510 39.519 38.000 0.015 0.000 1.394 199 I HN 0.001 nan 8.210 nan 0.000 0.552 200 V N 9.401 129.320 119.914 0.008 0.000 2.427 200 V HA 0.435 4.573 4.120 0.030 0.000 0.286 200 V C -2.170 173.968 176.094 0.074 0.000 1.034 200 V CA -1.999 60.319 62.300 0.031 0.000 0.893 200 V CB 1.679 33.524 31.823 0.036 0.000 0.982 200 V HN 0.527 nan 8.190 nan 0.000 0.452 201 P HA 0.218 nan 4.420 nan 0.000 0.271 201 P C -1.374 176.013 177.300 0.144 0.000 1.218 201 P CA 0.151 63.313 63.100 0.104 0.000 0.780 201 P CB 0.283 32.017 31.700 0.055 0.000 0.901 202 F N 3.068 123.054 119.950 0.060 0.000 2.482 202 F HA 0.499 5.037 4.527 0.018 0.000 0.331 202 F C -0.459 175.385 175.800 0.072 0.000 1.115 202 F CA -0.924 57.096 58.000 0.034 0.000 0.955 202 F CB 0.856 39.837 39.000 -0.031 0.000 1.136 202 F HN 0.116 nan 8.300 nan 0.000 0.452 203 I N 7.429 127.580 120.570 -0.699 0.000 2.291 203 I HA 0.200 4.388 4.170 0.030 0.000 0.290 203 I C -0.654 175.126 176.117 -0.562 0.000 1.050 203 I CA -0.863 60.168 61.300 -0.450 0.000 1.245 203 I CB 0.951 38.750 38.000 -0.336 0.000 1.405 203 I HN 0.228 nan 8.210 nan 0.000 0.478 204 V N 7.628 127.500 119.914 -0.071 0.000 2.397 204 V HA 0.059 4.197 4.120 0.030 0.000 0.262 204 V C 0.736 176.837 176.094 0.012 0.000 1.047 204 V CA -0.485 61.883 62.300 0.114 0.000 1.003 204 V CB -0.184 31.800 31.823 0.269 0.000 1.037 204 V HN 0.602 nan 8.190 nan 0.000 0.480 205 K N 4.340 124.729 120.400 -0.018 0.000 2.339 205 K HA 0.434 4.772 4.320 0.030 0.000 0.286 205 K C 0.661 177.266 176.600 0.007 0.000 1.050 205 K CA 0.067 56.339 56.287 -0.025 0.000 0.956 205 K CB 1.613 34.091 32.500 -0.037 0.000 0.990 205 K HN 0.786 nan 8.250 nan 0.000 0.475 206 G N 1.827 110.628 108.800 0.002 0.000 3.099 206 G HA2 0.330 4.308 3.960 0.030 0.000 0.151 206 G HA3 0.330 4.308 3.960 0.030 0.000 0.151 206 G C 0.419 175.320 174.900 0.002 0.000 1.265 206 G CA -0.308 44.797 45.100 0.008 0.000 0.981 206 G HN 0.632 nan 8.290 nan 0.000 0.601 207 R N -1.467 119.033 120.500 0.001 0.000 3.062 207 R HA 0.224 4.582 4.340 0.030 0.000 0.161 207 R C 0.932 177.231 176.300 -0.002 0.000 0.778 207 R CA -0.242 55.858 56.100 -0.000 0.000 1.168 207 R CB 0.614 30.915 30.300 0.002 0.000 1.618 207 R HN 0.235 nan 8.270 nan 0.000 0.566 208 K N 1.568 121.967 120.400 -0.001 0.000 2.675 208 K HA 0.312 4.651 4.320 0.030 0.000 0.213 208 K C -0.389 176.209 176.600 -0.003 0.000 1.074 208 K CA 0.192 56.477 56.287 -0.003 0.000 1.172 208 K CB 1.554 34.053 32.500 -0.003 0.000 0.927 208 K HN 0.407 nan 8.250 nan 0.000 0.471 209 G N 1.360 110.158 108.800 -0.004 0.000 2.462 209 G HA2 -0.093 3.885 3.960 0.030 0.000 0.424 209 G HA3 -0.093 3.885 3.960 0.030 0.000 0.424 209 G C -1.539 173.358 174.900 -0.005 0.000 1.573 209 G CA -1.123 43.974 45.100 -0.006 0.000 0.913 209 G HN 0.022 nan 8.290 nan 0.000 0.672 210 D N 0.187 120.580 120.400 -0.012 0.000 2.362 210 D HA 0.517 5.175 4.640 0.030 0.000 0.242 210 D C 0.513 176.809 176.300 -0.007 0.000 1.132 210 D CA 0.567 54.556 54.000 -0.018 0.000 0.907 210 D CB 1.520 42.297 40.800 -0.038 0.000 1.195 210 D HN 0.414 nan 8.370 nan 0.000 0.429 211 I N 0.891 121.464 120.570 0.005 0.000 2.478 211 I HA 0.095 4.283 4.170 0.030 0.000 0.287 211 I C -0.076 176.061 176.117 0.034 0.000 1.042 211 I CA -0.454 60.858 61.300 0.020 0.000 1.067 211 I CB 2.037 40.057 38.000 0.034 0.000 1.233 211 I HN 0.023 nan 8.210 nan 0.000 0.431 212 T N 5.708 120.278 114.554 0.026 0.000 2.749 212 T HA 0.380 4.749 4.350 0.030 0.000 0.295 212 T C -0.135 174.617 174.700 0.087 0.000 0.936 212 T CA -0.345 61.781 62.100 0.044 0.000 1.060 212 T CB 0.904 69.782 68.868 0.017 0.000 0.904 212 T HN 0.171 nan 8.240 nan 0.000 0.500 213 V N 4.639 124.656 119.914 0.172 0.000 2.357 213 V HA 0.365 4.504 4.120 0.030 0.000 0.284 213 V C 0.185 176.393 176.094 0.189 0.000 1.018 213 V CA -0.723 61.682 62.300 0.176 0.000 0.841 213 V CB 1.341 33.312 31.823 0.247 0.000 0.991 213 V HN 1.023 nan 8.190 nan 0.000 0.437 214 D N 2.560 123.026 120.400 0.110 0.000 2.562 214 D HA 0.392 5.050 4.640 0.030 0.000 0.246 214 D C 0.066 176.411 176.300 0.076 0.000 1.347 214 D CA 0.133 54.193 54.000 0.098 0.000 0.800 214 D CB 0.872 41.716 40.800 0.073 0.000 1.111 214 D HN 0.566 nan 8.370 nan 0.000 0.508 215 A N 0.221 123.075 122.820 0.057 0.000 2.371 215 A HA 0.491 4.830 4.320 0.030 0.000 0.311 215 A C -0.805 176.790 177.584 0.017 0.000 1.068 215 A CA -0.781 51.288 52.037 0.052 0.000 0.744 215 A CB 1.134 20.165 19.000 0.052 0.000 1.239 215 A HN -0.002 nan 8.150 nan 0.000 0.435 216 D N 2.369 122.771 120.400 0.003 0.000 2.389 216 D HA 0.048 4.706 4.640 0.030 0.000 0.263 216 D C 1.066 177.375 176.300 0.015 0.000 1.255 216 D CA 0.564 54.546 54.000 -0.029 0.000 0.914 216 D CB 0.892 41.619 40.800 -0.122 0.000 1.116 216 D HN 0.762 nan 8.370 nan 0.000 0.502 217 E N 1.763 121.962 120.200 -0.001 0.000 2.478 217 E HA -0.155 4.213 4.350 0.030 0.000 0.194 217 E C 1.184 177.833 176.600 0.080 0.000 1.045 217 E CA 0.097 56.499 56.400 0.004 0.000 0.868 217 E CB -0.044 29.619 29.700 -0.062 0.000 0.885 217 E HN 0.440 nan 8.360 nan 0.000 0.505 218 Y N 1.883 122.164 120.300 -0.032 0.000 2.475 218 Y HA 0.224 4.792 4.550 0.030 0.000 0.289 218 Y C 0.571 176.485 175.900 0.023 0.000 1.121 218 Y CA -0.700 57.396 58.100 -0.007 0.000 1.257 218 Y CB 0.237 38.693 38.460 -0.007 0.000 1.026 218 Y HN -0.118 nan 8.280 nan 0.000 0.555 219 I N 3.576 124.160 120.570 0.024 0.000 2.742 219 I HA -0.092 4.097 4.170 0.030 0.000 0.287 219 I C 0.087 176.244 176.117 0.066 0.000 1.186 219 I CA 0.660 61.968 61.300 0.014 0.000 1.417 219 I CB 0.227 38.298 38.000 0.119 0.000 1.377 219 I HN 0.057 nan 8.210 nan 0.000 0.556 220 R N 5.569 126.056 120.500 -0.022 0.000 2.265 220 R HA 0.376 4.735 4.340 0.030 0.000 0.314 220 R C -0.771 175.628 176.300 0.165 0.000 1.053 220 R CA -0.858 55.264 56.100 0.035 0.000 0.931 220 R CB 0.393 30.651 30.300 -0.070 0.000 1.024 220 R HN 0.445 nan 8.270 nan 0.000 0.457 221 H N 0.869 119.909 119.070 -0.050 0.000 2.548 221 H HA 0.223 4.797 4.556 0.029 0.000 0.331 221 H C 1.281 176.591 175.328 -0.031 0.000 1.093 221 H CA 0.158 56.187 56.048 -0.032 0.000 1.367 221 H CB 1.422 31.171 29.762 -0.022 0.000 1.455 221 H HN 0.936 nan 8.280 nan 0.000 0.519 222 G N 1.723 110.551 108.800 0.046 0.000 2.249 222 G HA2 -0.204 3.774 3.960 0.030 0.000 0.273 222 G HA3 -0.204 3.774 3.960 0.030 0.000 0.273 222 G C 0.436 175.339 174.900 0.005 0.000 1.036 222 G CA 0.126 45.237 45.100 0.018 0.000 0.824 222 G HN 0.925 nan 8.290 nan 0.000 0.504 223 A N 0.354 123.170 122.820 -0.006 0.000 2.524 223 A HA 0.605 4.943 4.320 0.030 0.000 0.250 223 A C 1.062 178.639 177.584 -0.013 0.000 1.078 223 A CA 1.284 53.313 52.037 -0.014 0.000 0.761 223 A CB 0.158 19.141 19.000 -0.028 0.000 1.012 223 A HN 1.888 nan 8.150 nan 0.000 0.500 224 T N 0.642 115.192 114.554 -0.007 0.000 2.945 224 T HA 0.443 4.811 4.350 0.030 0.000 0.286 224 T C 0.857 175.557 174.700 -0.000 0.000 1.025 224 T CA -0.607 61.491 62.100 -0.004 0.000 1.039 224 T CB 1.020 69.887 68.868 -0.002 0.000 1.068 224 T HN 0.553 nan 8.240 nan 0.000 0.497 225 L N 0.897 122.122 121.223 0.003 0.000 2.093 225 L HA 0.100 4.458 4.340 0.030 0.000 0.208 225 L C 1.787 178.663 176.870 0.011 0.000 1.085 225 L CA 1.839 56.685 54.840 0.010 0.000 0.755 225 L CB -1.169 40.897 42.059 0.011 0.000 0.904 225 L HN 0.748 nan 8.230 nan 0.000 0.435 226 D N -0.802 119.602 120.400 0.007 0.000 2.104 226 D HA -0.184 4.474 4.640 0.030 0.000 0.194 226 D C 2.451 178.754 176.300 0.006 0.000 0.994 226 D CA 1.682 55.686 54.000 0.007 0.000 0.830 226 D CB -0.220 40.583 40.800 0.004 0.000 0.959 226 D HN 0.539 nan 8.370 nan 0.000 0.452 227 S N -0.383 115.320 115.700 0.004 0.000 2.383 227 S HA -0.169 4.319 4.470 0.030 0.000 0.227 227 S C 1.972 176.575 174.600 0.006 0.000 1.026 227 S CA 0.898 59.099 58.200 0.003 0.000 0.981 227 S CB -0.246 62.954 63.200 -0.001 0.000 0.818 227 S HN 0.043 nan 8.310 nan 0.000 0.472 228 M N 2.419 122.025 119.600 0.010 0.000 2.117 228 M HA 0.216 4.714 4.480 0.030 0.000 0.262 228 M C 2.280 178.592 176.300 0.020 0.000 1.065 228 M CA 1.516 56.827 55.300 0.019 0.000 1.114 228 M CB -1.014 31.602 32.600 0.026 0.000 1.361 228 M HN 0.473 nan 8.290 nan 0.000 0.408 229 A N -0.792 122.039 122.820 0.017 0.000 2.015 229 A HA -0.138 4.201 4.320 0.030 0.000 0.219 229 A C 2.060 179.651 177.584 0.012 0.000 1.163 229 A CA 1.444 53.492 52.037 0.017 0.000 0.646 229 A CB -0.593 18.416 19.000 0.016 0.000 0.806 229 A HN 0.560 nan 8.150 nan 0.000 0.448 230 K N -0.436 119.969 120.400 0.008 0.000 2.366 230 K HA 0.181 4.519 4.320 0.030 0.000 0.198 230 K C -0.016 176.584 176.600 0.001 0.000 1.044 230 K CA -0.045 56.245 56.287 0.004 0.000 0.973 230 K CB -0.184 32.317 32.500 0.002 0.000 0.767 230 K HN 0.423 nan 8.250 nan 0.000 0.475 231 L N 1.778 123.002 121.223 0.002 0.000 2.461 231 L HA 0.085 4.444 4.340 0.030 0.000 0.272 231 L C 0.406 177.271 176.870 -0.009 0.000 1.197 231 L CA -0.156 54.681 54.840 -0.004 0.000 0.836 231 L CB 0.329 42.389 42.059 0.001 0.000 1.105 231 L HN 0.029 nan 8.230 nan 0.000 0.477 232 R N 2.118 122.605 120.500 -0.022 0.000 2.457 232 R HA 0.340 4.698 4.340 0.030 0.000 0.284 232 R C -2.288 173.984 176.300 -0.048 0.000 1.024 232 R CA -1.656 54.426 56.100 -0.029 0.000 1.025 232 R CB 0.552 30.832 30.300 -0.034 0.000 1.063 232 R HN 0.340 nan 8.270 nan 0.000 0.493 233 P HA -0.054 nan 4.420 nan 0.000 0.264 233 P C -0.488 176.730 177.300 -0.136 0.000 1.183 233 P CA 0.365 63.436 63.100 -0.049 0.000 0.763 233 P CB 0.881 32.572 31.700 -0.015 0.000 0.807 234 A N 1.672 124.323 122.820 -0.281 0.000 2.220 234 A HA 0.152 4.490 4.320 0.030 0.000 0.211 234 A C 0.854 177.948 177.584 -0.818 0.000 1.176 234 A CA 0.757 52.424 52.037 -0.617 0.000 0.834 234 A CB -0.608 17.840 19.000 -0.921 0.000 0.868 234 A HN 0.507 nan 8.150 nan 0.000 0.488 235 F N -1.183 118.723 119.950 -0.074 0.000 2.784 235 F HA 0.299 4.844 4.527 0.030 0.000 0.316 235 F C 0.003 175.759 175.800 -0.073 0.000 1.026 235 F CA -0.511 57.434 58.000 -0.091 0.000 1.188 235 F CB 0.802 39.720 39.000 -0.137 0.000 0.999 235 F HN 0.083 nan 8.300 nan 0.000 0.605 236 D N -0.126 120.325 120.400 0.085 0.000 2.855 236 D HA 0.256 4.914 4.640 0.030 0.000 0.241 236 D C 0.411 176.717 176.300 0.010 0.000 1.277 236 D CA -0.243 53.778 54.000 0.035 0.000 0.918 236 D CB 1.749 42.561 40.800 0.019 0.000 1.462 236 D HN -0.274 nan 8.370 nan 0.000 0.559 237 K N 1.435 121.836 120.400 0.003 0.000 2.211 237 K HA -0.034 4.304 4.320 0.030 0.000 0.203 237 K C 0.764 177.363 176.600 -0.003 0.000 1.050 237 K CA 1.021 57.305 56.287 -0.005 0.000 0.945 237 K CB 0.077 32.576 32.500 -0.002 0.000 0.732 237 K HN 0.563 nan 8.250 nan 0.000 0.451 238 E N -0.190 120.010 120.200 -0.001 0.000 2.411 238 E HA 0.230 4.598 4.350 0.030 0.000 0.204 238 E C 0.569 177.169 176.600 -0.000 0.000 1.059 238 E CA -0.331 56.068 56.400 -0.001 0.000 1.112 238 E CB 0.438 30.137 29.700 -0.002 0.000 1.168 238 E HN 0.122 nan 8.360 nan 0.000 0.445 239 G N 0.747 109.549 108.800 0.004 0.000 2.537 239 G HA2 0.275 4.253 3.960 0.030 0.000 0.297 239 G HA3 0.275 4.253 3.960 0.030 0.000 0.297 239 G C 0.720 175.629 174.900 0.016 0.000 1.310 239 G CA 0.083 45.189 45.100 0.010 0.000 1.027 239 G HN 0.151 nan 8.290 nan 0.000 0.505 240 T N -3.978 110.591 114.554 0.025 0.000 2.986 240 T HA 0.227 4.596 4.350 0.030 0.000 0.264 240 T C 0.316 175.051 174.700 0.059 0.000 0.964 240 T CA -0.023 62.097 62.100 0.032 0.000 0.895 240 T CB 0.189 69.071 68.868 0.023 0.000 1.163 240 T HN 0.269 nan 8.240 nan 0.000 0.517 241 V N 3.853 123.821 119.914 0.090 0.000 2.432 241 V HA 0.646 4.784 4.120 0.030 0.000 0.275 241 V C 0.616 176.814 176.094 0.173 0.000 1.043 241 V CA -0.224 62.179 62.300 0.171 0.000 0.925 241 V CB 0.872 32.821 31.823 0.210 0.000 0.985 241 V HN 0.738 nan 8.190 nan 0.000 0.466 242 T N 1.579 116.224 114.554 0.152 0.000 2.888 242 T HA 0.676 5.045 4.350 0.030 0.000 0.288 242 T C 1.075 175.823 174.700 0.079 0.000 1.063 242 T CA -0.045 62.085 62.100 0.050 0.000 1.010 242 T CB 1.990 70.880 68.868 0.036 0.000 1.214 242 T HN 0.636 nan 8.240 nan 0.000 0.533 243 A N 0.333 123.155 122.820 0.003 0.000 2.024 243 A HA 0.177 4.515 4.320 0.030 0.000 0.220 243 A C 2.258 179.894 177.584 0.086 0.000 1.164 243 A CA 1.995 54.057 52.037 0.042 0.000 0.643 243 A CB -1.564 17.440 19.000 0.008 0.000 0.806 243 A HN 1.157 nan 8.150 nan 0.000 0.451 244 G N 0.442 109.283 108.800 0.068 0.000 2.430 244 G HA2 -0.140 3.838 3.960 0.030 0.000 0.216 244 G HA3 -0.140 3.838 3.960 0.030 0.000 0.216 244 G C 0.972 175.928 174.900 0.094 0.000 1.146 244 G CA 0.998 46.136 45.100 0.063 0.000 0.793 244 G HN 0.774 nan 8.290 nan 0.000 0.537 245 N N -0.009 118.770 118.700 0.131 0.000 2.238 245 N HA 0.492 5.251 4.740 0.030 0.000 0.222 245 N C 0.197 175.836 175.510 0.215 0.000 1.133 245 N CA 0.130 53.280 53.050 0.167 0.000 0.854 245 N CB 0.557 39.139 38.487 0.158 0.000 1.041 245 N HN 0.274 nan 8.380 nan 0.000 0.510 246 A N -0.693 122.251 122.820 0.207 0.000 2.330 246 A HA 0.724 5.063 4.320 0.030 0.000 0.329 246 A C 0.214 177.810 177.584 0.019 0.000 1.135 246 A CA -0.659 51.459 52.037 0.135 0.000 0.817 246 A CB 1.157 20.354 19.000 0.327 0.000 1.269 246 A HN 0.216 nan 8.150 nan 0.000 0.469 247 S N -0.570 115.027 115.700 -0.171 0.000 2.640 247 S HA 0.622 5.110 4.470 0.030 0.000 0.262 247 S C 0.660 175.276 174.600 0.026 0.000 1.232 247 S CA 0.252 58.435 58.200 -0.029 0.000 0.988 247 S CB 0.552 63.673 63.200 -0.130 0.000 1.034 247 S HN 1.431 nan 8.310 nan 0.000 0.569 248 G N -0.489 108.310 108.800 -0.002 0.000 2.887 248 G HA2 0.623 4.601 3.960 0.030 0.000 0.277 248 G HA3 0.623 4.601 3.960 0.030 0.000 0.277 248 G C -1.477 173.281 174.900 -0.236 0.000 1.346 248 G CA -0.933 44.066 45.100 -0.169 0.000 1.058 248 G HN 0.709 nan 8.290 nan 0.000 0.535 249 L N 0.603 121.627 121.223 -0.332 0.000 2.282 249 L HA 0.504 4.862 4.340 0.030 0.000 0.288 249 L C -0.438 176.277 176.870 -0.258 0.000 1.033 249 L CA -0.566 54.052 54.840 -0.369 0.000 0.807 249 L CB 1.394 42.989 42.059 -0.774 0.000 1.209 249 L HN 0.487 nan 8.230 nan 0.000 0.423 250 N N 0.915 119.525 118.700 -0.151 0.000 2.708 250 N HA 0.488 5.246 4.740 0.030 0.000 0.257 250 N C -1.911 173.594 175.510 -0.009 0.000 1.373 250 N CA -0.919 52.076 53.050 -0.091 0.000 0.843 250 N CB 1.916 40.290 38.487 -0.189 0.000 1.503 250 N HN 0.411 nan 8.380 nan 0.000 0.504 251 D N -0.400 120.029 120.400 0.048 0.000 2.457 251 D HA 0.779 5.437 4.640 0.030 0.000 0.240 251 D C -0.150 176.215 176.300 0.108 0.000 1.041 251 D CA -0.300 53.750 54.000 0.084 0.000 0.861 251 D CB 1.975 42.891 40.800 0.193 0.000 1.394 251 D HN 0.663 nan 8.370 nan 0.000 0.473 252 G N -0.874 107.912 108.800 -0.023 0.000 2.316 252 G HA2 0.607 4.585 3.960 0.030 0.000 0.296 252 G HA3 0.607 4.585 3.960 0.030 0.000 0.296 252 G C -1.968 172.843 174.900 -0.149 0.000 1.399 252 G CA -0.220 44.828 45.100 -0.086 0.000 0.833 252 G HN 0.623 nan 8.290 nan 0.000 0.565 253 A N -1.138 121.588 122.820 -0.158 0.000 2.566 253 A HA 1.154 5.492 4.320 0.030 0.000 0.292 253 A C -0.292 177.248 177.584 -0.073 0.000 1.112 253 A CA 0.146 52.110 52.037 -0.121 0.000 0.707 253 A CB 1.672 20.582 19.000 -0.150 0.000 1.302 253 A HN 2.638 nan 8.150 nan 0.000 0.409 254 A N -0.500 122.289 122.820 -0.053 0.000 2.566 254 A HA 0.952 5.291 4.320 0.030 0.000 0.297 254 A C -0.546 177.025 177.584 -0.020 0.000 1.059 254 A CA 0.214 52.240 52.037 -0.019 0.000 0.691 254 A CB 0.959 19.958 19.000 -0.001 0.000 1.282 254 A HN 2.664 nan 8.150 nan 0.000 0.401 255 A N 0.194 123.015 122.820 0.001 0.000 2.583 255 A HA 1.061 5.399 4.320 0.030 0.000 0.289 255 A C -0.520 177.070 177.584 0.011 0.000 1.151 255 A CA -0.099 51.931 52.037 -0.012 0.000 0.695 255 A CB 1.182 20.168 19.000 -0.025 0.000 1.290 255 A HN 2.650 nan 8.150 nan 0.000 0.419 256 A N -0.122 122.692 122.820 -0.011 0.000 2.449 256 A HA 0.690 5.029 4.320 0.030 0.000 0.302 256 A C -1.683 175.891 177.584 -0.018 0.000 1.048 256 A CA -0.450 51.582 52.037 -0.008 0.000 0.708 256 A CB 1.336 20.322 19.000 -0.023 0.000 1.274 256 A HN 1.490 nan 8.150 nan 0.000 0.410 257 L N 2.554 123.772 121.223 -0.009 0.000 2.272 257 L HA 0.643 5.001 4.340 0.030 0.000 0.289 257 L C -0.788 176.072 176.870 -0.016 0.000 1.032 257 L CA -0.481 54.352 54.840 -0.012 0.000 0.810 257 L CB 0.549 42.608 42.059 -0.001 0.000 1.205 257 L HN 0.619 nan 8.230 nan 0.000 0.422 258 L N 6.528 127.738 121.223 -0.021 0.000 2.334 258 L HA 0.731 5.090 4.340 0.030 0.000 0.276 258 L C 0.008 176.872 176.870 -0.011 0.000 1.014 258 L CA -0.552 54.276 54.840 -0.019 0.000 0.815 258 L CB 1.722 43.763 42.059 -0.029 0.000 1.268 258 L HN 0.733 nan 8.230 nan 0.000 0.428 259 M N 0.090 119.687 119.600 -0.006 0.000 2.880 259 M HA 0.480 4.978 4.480 0.030 0.000 0.269 259 M C -0.540 175.762 176.300 0.003 0.000 1.248 259 M CA -0.793 54.507 55.300 0.000 0.000 0.821 259 M CB 2.035 34.636 32.600 0.002 0.000 1.650 259 M HN 0.464 nan 8.290 nan 0.000 0.479 260 S N -0.317 115.387 115.700 0.006 0.000 2.579 260 S HA 0.098 4.587 4.470 0.030 0.000 0.275 260 S C 0.673 175.279 174.600 0.009 0.000 1.345 260 S CA 0.477 58.683 58.200 0.009 0.000 1.031 260 S CB 1.129 64.336 63.200 0.011 0.000 0.892 260 S HN 0.954 nan 8.310 nan 0.000 0.529 261 E N 1.994 122.201 120.200 0.012 0.000 2.085 261 E HA -0.183 4.185 4.350 0.030 0.000 0.194 261 E C 2.194 178.801 176.600 0.011 0.000 0.994 261 E CA 1.310 57.718 56.400 0.012 0.000 0.801 261 E CB -0.599 29.110 29.700 0.016 0.000 0.743 261 E HN 0.882 nan 8.360 nan 0.000 0.453 262 A N 0.947 123.775 122.820 0.012 0.000 1.908 262 A HA -0.267 4.071 4.320 0.030 0.000 0.218 262 A C 2.018 179.608 177.584 0.009 0.000 1.181 262 A CA 1.921 53.965 52.037 0.011 0.000 0.627 262 A CB -0.628 18.379 19.000 0.011 0.000 0.818 262 A HN 0.411 nan 8.150 nan 0.000 0.445 263 E N 0.170 120.376 120.200 0.009 0.000 2.051 263 E HA -0.057 4.312 4.350 0.030 0.000 0.192 263 E C 1.997 178.601 176.600 0.007 0.000 0.991 263 E CA 1.573 57.978 56.400 0.008 0.000 0.799 263 E CB -0.438 29.266 29.700 0.008 0.000 0.748 263 E HN 0.457 nan 8.360 nan 0.000 0.449 264 A N 0.217 123.041 122.820 0.007 0.000 1.908 264 A HA -0.205 4.133 4.320 0.030 0.000 0.218 264 A C 2.448 180.036 177.584 0.007 0.000 1.181 264 A CA 1.999 54.040 52.037 0.006 0.000 0.627 264 A CB -0.848 18.154 19.000 0.004 0.000 0.818 264 A HN 0.328 nan 8.150 nan 0.000 0.445 265 S N -0.581 115.124 115.700 0.008 0.000 2.368 265 S HA -0.153 4.335 4.470 0.030 0.000 0.225 265 S C 2.063 176.667 174.600 0.008 0.000 1.030 265 S CA 1.309 59.514 58.200 0.008 0.000 0.999 265 S CB -0.316 62.889 63.200 0.009 0.000 0.844 265 S HN 0.609 nan 8.310 nan 0.000 0.459 266 R N 0.926 121.431 120.500 0.008 0.000 2.096 266 R HA 0.021 4.379 4.340 0.030 0.000 0.235 266 R C 2.253 178.557 176.300 0.007 0.000 1.127 266 R CA 1.096 57.200 56.100 0.007 0.000 0.968 266 R CB -0.225 30.079 30.300 0.007 0.000 0.861 266 R HN 0.336 nan 8.270 nan 0.000 0.440 267 R N -0.439 120.065 120.500 0.007 0.000 2.275 267 R HA 0.050 4.408 4.340 0.030 0.000 0.199 267 R C 0.981 177.285 176.300 0.008 0.000 0.989 267 R CA 0.573 56.678 56.100 0.008 0.000 1.016 267 R CB 0.319 30.624 30.300 0.008 0.000 0.918 267 R HN 0.405 nan 8.270 nan 0.000 0.473 268 G N 1.575 110.379 108.800 0.008 0.000 2.160 268 G HA2 -0.271 3.708 3.960 0.030 0.000 0.244 268 G HA3 -0.271 3.708 3.960 0.030 0.000 0.244 268 G C 0.077 174.982 174.900 0.008 0.000 1.022 268 G CA -0.190 44.915 45.100 0.008 0.000 0.741 268 G HN 0.233 nan 8.290 nan 0.000 0.508 269 I N 0.239 120.813 120.570 0.008 0.000 2.395 269 I HA 0.248 4.436 4.170 0.030 0.000 0.289 269 I C 0.534 176.653 176.117 0.005 0.000 1.023 269 I CA -0.639 60.665 61.300 0.007 0.000 1.350 269 I CB 1.460 39.464 38.000 0.006 0.000 1.409 269 I HN -0.022 nan 8.210 nan 0.000 0.507 270 Q N 8.546 128.348 119.800 0.004 0.000 2.441 270 Q HA 0.374 4.733 4.340 0.030 0.000 0.234 270 Q C -2.407 173.588 176.000 -0.009 0.000 1.078 270 Q CA -2.169 53.634 55.803 -0.000 0.000 0.907 270 Q CB 0.639 29.379 28.738 0.003 0.000 1.269 270 Q HN 0.252 nan 8.270 nan 0.000 0.502 271 P HA 0.066 nan 4.420 nan 0.000 0.274 271 P C 0.486 177.757 177.300 -0.047 0.000 1.231 271 P CA -0.583 62.502 63.100 -0.026 0.000 0.790 271 P CB 0.849 32.540 31.700 -0.015 0.000 0.951 272 L N 0.415 121.588 121.223 -0.083 0.000 2.275 272 L HA 0.186 4.544 4.340 0.030 0.000 0.215 272 L C 1.270 178.087 176.870 -0.088 0.000 1.119 272 L CA 1.436 56.194 54.840 -0.137 0.000 0.790 272 L CB -1.632 40.281 42.059 -0.244 0.000 0.919 272 L HN 0.724 nan 8.230 nan 0.000 0.443 273 G N -1.422 107.349 108.800 -0.047 0.000 2.340 273 G HA2 0.284 4.262 3.960 0.030 0.000 0.298 273 G HA3 0.284 4.262 3.960 0.030 0.000 0.298 273 G C -1.309 173.596 174.900 0.008 0.000 1.498 273 G CA -0.943 44.151 45.100 -0.010 0.000 0.847 273 G HN -0.019 nan 8.290 nan 0.000 0.594 274 R N 0.334 120.855 120.500 0.036 0.000 2.346 274 R HA 0.625 4.984 4.340 0.030 0.000 0.311 274 R C -0.252 176.078 176.300 0.050 0.000 0.983 274 R CA -0.851 55.274 56.100 0.041 0.000 0.880 274 R CB 0.801 31.132 30.300 0.053 0.000 1.100 274 R HN 0.406 nan 8.270 nan 0.000 0.453 275 I N 5.716 126.306 120.570 0.034 0.000 2.406 275 I HA -0.003 4.185 4.170 0.030 0.000 0.293 275 I C 0.994 177.125 176.117 0.023 0.000 1.101 275 I CA -0.245 61.075 61.300 0.034 0.000 1.334 275 I CB 1.330 39.347 38.000 0.030 0.000 1.421 275 I HN 0.570 nan 8.210 nan 0.000 0.513 276 V N 4.300 124.204 119.914 -0.017 0.000 2.599 276 V HA -0.017 4.121 4.120 0.030 0.000 0.245 276 V C 0.849 176.861 176.094 -0.138 0.000 1.046 276 V CA 1.168 63.408 62.300 -0.100 0.000 1.065 276 V CB -0.136 31.552 31.823 -0.225 0.000 0.703 276 V HN 0.900 nan 8.190 nan 0.000 0.464 277 S N -0.702 114.930 115.700 -0.112 0.000 2.587 277 S HA 0.567 5.055 4.470 0.030 0.000 0.269 277 S C -1.796 172.865 174.600 0.103 0.000 1.154 277 S CA -0.871 57.289 58.200 -0.066 0.000 0.824 277 S CB 2.115 65.180 63.200 -0.225 0.000 1.118 277 S HN 0.546 nan 8.310 nan 0.000 0.462 278 W N 0.564 121.822 121.300 -0.070 0.000 3.042 278 W HA 0.861 5.543 4.660 0.037 0.000 0.342 278 W C -1.672 174.834 176.519 -0.022 0.000 1.240 278 W CA -0.885 56.440 57.345 -0.034 0.000 1.166 278 W CB 1.033 30.484 29.460 -0.015 0.000 1.469 278 W HN 1.487 nan 8.180 nan 0.000 0.579 279 A N 1.202 123.887 122.820 -0.226 0.000 2.605 279 A HA 0.657 4.996 4.320 0.030 0.000 0.294 279 A C -1.645 175.880 177.584 -0.099 0.000 1.062 279 A CA -0.429 51.293 52.037 -0.525 0.000 0.682 279 A CB 1.657 20.476 19.000 -0.303 0.000 1.278 279 A HN 0.769 nan 8.150 nan 0.000 0.410 280 T N 0.403 114.872 114.554 -0.142 0.000 2.916 280 T HA 0.670 5.038 4.350 0.030 0.000 0.298 280 T C -1.495 173.210 174.700 0.008 0.000 1.031 280 T CA -0.258 61.892 62.100 0.083 0.000 0.993 280 T CB 1.138 70.175 68.868 0.282 0.000 1.045 280 T HN 1.235 nan 8.240 nan 0.000 0.454 281 V N 2.668 122.600 119.914 0.031 0.000 3.049 281 V HA 0.831 4.969 4.120 0.030 0.000 0.309 281 V C 0.752 176.866 176.094 0.033 0.000 1.148 281 V CA -0.865 61.443 62.300 0.013 0.000 0.990 281 V CB 2.271 34.091 31.823 -0.005 0.000 1.039 281 V HN 1.064 nan 8.190 nan 0.000 0.430 282 G N 0.705 109.518 108.800 0.023 0.000 2.451 282 G HA2 0.719 4.697 3.960 0.030 0.000 0.303 282 G HA3 0.719 4.697 3.960 0.030 0.000 0.303 282 G C -0.551 174.362 174.900 0.021 0.000 1.166 282 G CA -0.033 45.083 45.100 0.026 0.000 0.884 282 G HN 1.254 nan 8.290 nan 0.000 0.514 283 V N -1.906 118.024 119.914 0.027 0.000 3.165 283 V HA 0.587 4.725 4.120 0.030 0.000 0.309 283 V C -0.478 175.629 176.094 0.022 0.000 1.267 283 V CA -1.287 61.029 62.300 0.026 0.000 1.067 283 V CB 1.706 33.553 31.823 0.041 0.000 1.082 283 V HN 0.618 nan 8.190 nan 0.000 0.451 284 D N 1.540 121.956 120.400 0.025 0.000 2.487 284 D HA 0.191 4.849 4.640 0.030 0.000 0.243 284 D C -1.641 174.695 176.300 0.061 0.000 1.154 284 D CA -0.904 53.115 54.000 0.032 0.000 0.876 284 D CB 1.976 42.795 40.800 0.031 0.000 1.161 284 D HN 0.407 nan 8.370 nan 0.000 0.478 285 P HA -0.174 nan 4.420 nan 0.000 0.217 285 P C 1.031 178.421 177.300 0.150 0.000 1.151 285 P CA 1.442 64.650 63.100 0.180 0.000 0.849 285 P CB 0.222 32.118 31.700 0.326 0.000 0.787 286 K N -0.555 119.876 120.400 0.052 0.000 2.209 286 K HA -0.044 4.294 4.320 0.030 0.000 0.204 286 K C 0.896 177.492 176.600 -0.008 0.000 1.048 286 K CA 1.367 57.618 56.287 -0.060 0.000 0.940 286 K CB -0.225 32.146 32.500 -0.214 0.000 0.729 286 K HN 0.176 nan 8.250 nan 0.000 0.451 287 V N -0.788 119.136 119.914 0.017 0.000 2.666 287 V HA 0.135 4.274 4.120 0.030 0.000 0.306 287 V C 0.837 176.957 176.094 0.043 0.000 1.156 287 V CA -0.585 61.730 62.300 0.024 0.000 1.274 287 V CB 0.142 31.994 31.823 0.047 0.000 1.536 287 V HN 0.121 nan 8.190 nan 0.000 0.640 288 M N 0.697 120.330 119.600 0.055 0.000 2.267 288 M HA 0.167 4.665 4.480 0.030 0.000 0.263 288 M C 1.755 178.091 176.300 0.060 0.000 1.063 288 M CA 2.541 57.884 55.300 0.072 0.000 1.090 288 M CB -1.248 31.412 32.600 0.100 0.000 1.392 288 M HN 0.335 nan 8.290 nan 0.000 0.422 289 G N 0.052 108.875 108.800 0.039 0.000 2.535 289 G HA2 -0.137 3.841 3.960 0.030 0.000 0.218 289 G HA3 -0.137 3.841 3.960 0.030 0.000 0.218 289 G C 1.528 176.424 174.900 -0.007 0.000 1.122 289 G CA 1.143 46.260 45.100 0.028 0.000 0.769 289 G HN 0.716 nan 8.290 nan 0.000 0.549 290 T N -2.331 112.227 114.554 0.007 0.000 3.113 290 T HA 0.212 4.580 4.350 0.030 0.000 0.256 290 T C 2.348 177.062 174.700 0.023 0.000 1.131 290 T CA 0.997 63.100 62.100 0.005 0.000 1.074 290 T CB 0.147 69.060 68.868 0.075 0.000 0.944 290 T HN 0.152 nan 8.240 nan 0.000 0.516 291 G N 2.984 111.808 108.800 0.039 0.000 2.556 291 G HA2 -0.194 3.784 3.960 0.030 0.000 0.220 291 G HA3 -0.194 3.784 3.960 0.030 0.000 0.220 291 G C -0.538 174.391 174.900 0.048 0.000 1.156 291 G CA 0.900 46.029 45.100 0.049 0.000 0.766 291 G HN 0.481 nan 8.290 nan 0.000 0.583 292 P HA -0.016 nan 4.420 nan 0.000 0.223 292 P C 1.724 179.045 177.300 0.035 0.000 1.144 292 P CA 0.568 63.711 63.100 0.072 0.000 0.783 292 P CB -0.018 31.745 31.700 0.105 0.000 0.771 293 I N 1.051 121.618 120.570 -0.006 0.000 2.094 293 I HA -0.112 4.076 4.170 0.030 0.000 0.234 293 I C -0.309 175.793 176.117 -0.024 0.000 1.063 293 I CA 1.702 62.974 61.300 -0.046 0.000 1.328 293 I CB -1.981 36.001 38.000 -0.029 0.000 1.058 293 I HN 0.017 nan 8.210 nan 0.000 0.400 294 P HA -0.156 nan 4.420 nan 0.000 0.218 294 P C 1.331 178.629 177.300 -0.003 0.000 1.149 294 P CA 1.920 65.018 63.100 -0.005 0.000 0.817 294 P CB 0.004 31.706 31.700 0.002 0.000 0.785 295 A N 0.535 123.366 122.820 0.017 0.000 1.877 295 A HA -0.131 4.208 4.320 0.030 0.000 0.216 295 A C 2.511 180.116 177.584 0.036 0.000 1.186 295 A CA 2.204 54.258 52.037 0.027 0.000 0.620 295 A CB -1.495 17.546 19.000 0.068 0.000 0.822 295 A HN 0.191 nan 8.150 nan 0.000 0.443 296 S N -0.236 115.503 115.700 0.064 0.000 2.356 296 S HA -0.165 4.324 4.470 0.030 0.000 0.223 296 S C 2.046 176.680 174.600 0.056 0.000 1.032 296 S CA 1.383 59.644 58.200 0.102 0.000 1.005 296 S CB -0.365 62.939 63.200 0.174 0.000 0.867 296 S HN 0.588 nan 8.310 nan 0.000 0.449 297 R N 1.170 121.674 120.500 0.006 0.000 2.096 297 R HA -0.101 4.257 4.340 0.030 0.000 0.240 297 R C 2.366 178.658 176.300 -0.013 0.000 1.139 297 R CA 1.438 57.535 56.100 -0.005 0.000 0.952 297 R CB -0.285 30.000 30.300 -0.025 0.000 0.854 297 R HN 0.127 nan 8.270 nan 0.000 0.436 298 K N 1.025 121.405 120.400 -0.033 0.000 2.057 298 K HA -0.027 4.312 4.320 0.030 0.000 0.206 298 K C 1.844 178.385 176.600 -0.098 0.000 1.050 298 K CA 1.704 57.947 56.287 -0.072 0.000 0.935 298 K CB -0.445 31.998 32.500 -0.094 0.000 0.715 298 K HN 0.159 nan 8.250 nan 0.000 0.439 299 A N 0.643 123.418 122.820 -0.075 0.000 1.902 299 A HA -0.093 4.246 4.320 0.030 0.000 0.217 299 A C 2.292 179.814 177.584 -0.103 0.000 1.181 299 A CA 1.622 53.605 52.037 -0.091 0.000 0.623 299 A CB -0.656 18.338 19.000 -0.010 0.000 0.818 299 A HN 0.305 nan 8.150 nan 0.000 0.443 300 L N -0.969 120.242 121.223 -0.020 0.000 2.027 300 L HA -0.175 4.183 4.340 0.030 0.000 0.206 300 L C 2.644 179.496 176.870 -0.031 0.000 1.074 300 L CA 1.690 56.540 54.840 0.017 0.000 0.745 300 L CB -0.549 41.596 42.059 0.143 0.000 0.898 300 L HN 0.543 nan 8.230 nan 0.000 0.433 301 E N 0.533 120.715 120.200 -0.030 0.000 2.097 301 E HA -0.273 4.095 4.350 0.030 0.000 0.196 301 E C 2.366 178.917 176.600 -0.082 0.000 1.000 301 E CA 1.448 57.825 56.400 -0.038 0.000 0.804 301 E CB 0.075 29.750 29.700 -0.042 0.000 0.740 301 E HN 0.377 nan 8.360 nan 0.000 0.454 302 R N -0.434 119.989 120.500 -0.129 0.000 2.115 302 R HA -0.054 4.304 4.340 0.030 0.000 0.230 302 R C 2.269 178.447 176.300 -0.204 0.000 1.111 302 R CA 0.959 56.964 56.100 -0.158 0.000 0.976 302 R CB -0.147 30.035 30.300 -0.195 0.000 0.870 302 R HN 0.131 nan 8.270 nan 0.000 0.445 303 A N 0.118 122.744 122.820 -0.324 0.000 2.119 303 A HA 0.107 4.445 4.320 0.030 0.000 0.217 303 A C 1.448 178.801 177.584 -0.384 0.000 1.153 303 A CA 0.948 52.641 52.037 -0.573 0.000 0.692 303 A CB -0.265 17.988 19.000 -1.245 0.000 0.799 303 A HN 0.453 nan 8.150 nan 0.000 0.458 304 G N -2.700 106.013 108.800 -0.144 0.000 2.198 304 G HA2 -0.228 3.751 3.960 0.030 0.000 0.257 304 G HA3 -0.228 3.751 3.960 0.030 0.000 0.257 304 G C -0.321 174.742 174.900 0.271 0.000 1.042 304 G CA 0.324 45.453 45.100 0.048 0.000 0.791 304 G HN 0.375 nan 8.290 nan 0.000 0.502 305 W N -0.087 121.229 121.300 0.025 0.000 2.639 305 W HA 0.734 5.411 4.660 0.028 0.000 0.347 305 W C 0.468 177.009 176.519 0.037 0.000 1.067 305 W CA -1.740 55.625 57.345 0.034 0.000 1.218 305 W CB 1.020 30.507 29.460 0.046 0.000 1.393 305 W HN -0.128 nan 8.180 nan 0.000 0.557 306 K N 1.755 122.307 120.400 0.254 0.000 2.090 306 K HA 0.331 4.669 4.320 0.030 0.000 0.249 306 K C 1.182 177.890 176.600 0.180 0.000 0.995 306 K CA -0.739 55.646 56.287 0.163 0.000 0.914 306 K CB 1.174 33.733 32.500 0.097 0.000 1.057 306 K HN 0.372 nan 8.250 nan 0.000 0.462 307 I N 0.944 121.606 120.570 0.154 0.000 2.286 307 I HA -0.233 3.955 4.170 0.030 0.000 0.248 307 I C 2.093 178.320 176.117 0.184 0.000 1.115 307 I CA 1.771 63.191 61.300 0.201 0.000 1.392 307 I CB -0.348 37.739 38.000 0.145 0.000 1.065 307 I HN 0.847 nan 8.210 nan 0.000 0.418 308 G N 0.130 108.999 108.800 0.115 0.000 2.498 308 G HA2 -0.216 3.762 3.960 0.030 0.000 0.219 308 G HA3 -0.216 3.762 3.960 0.030 0.000 0.219 308 G C 1.153 176.066 174.900 0.023 0.000 1.119 308 G CA 0.713 45.857 45.100 0.074 0.000 0.766 308 G HN 0.319 nan 8.290 nan 0.000 0.552 309 D N 0.152 120.551 120.400 -0.001 0.000 2.269 309 D HA 0.014 4.672 4.640 0.030 0.000 0.208 309 D C 1.262 177.450 176.300 -0.186 0.000 0.963 309 D CA 0.165 54.086 54.000 -0.132 0.000 0.864 309 D CB 0.082 40.735 40.800 -0.245 0.000 0.936 309 D HN 0.259 nan 8.370 nan 0.000 0.505 310 L N 1.393 122.581 121.223 -0.058 0.000 2.397 310 L HA 0.066 4.425 4.340 0.030 0.000 0.271 310 L C 1.260 178.084 176.870 -0.078 0.000 1.148 310 L CA -0.129 54.673 54.840 -0.062 0.000 0.825 310 L CB 0.929 43.029 42.059 0.068 0.000 1.117 310 L HN -0.208 nan 8.230 nan 0.000 0.456 311 D N 1.927 122.264 120.400 -0.104 0.000 2.338 311 D HA 0.186 4.845 4.640 0.030 0.000 0.208 311 D C -0.131 176.122 176.300 -0.078 0.000 0.997 311 D CA 0.700 54.648 54.000 -0.085 0.000 0.880 311 D CB 0.934 41.679 40.800 -0.092 0.000 0.980 311 D HN 0.111 nan 8.370 nan 0.000 0.509 312 L N 0.315 121.488 121.223 -0.084 0.000 2.506 312 L HA 0.373 4.731 4.340 0.030 0.000 0.257 312 L C -1.577 175.208 176.870 -0.142 0.000 0.964 312 L CA -0.816 53.963 54.840 -0.102 0.000 0.836 312 L CB 2.628 44.649 42.059 -0.064 0.000 1.384 312 L HN -0.344 nan 8.230 nan 0.000 0.410 313 V N 2.625 122.403 119.914 -0.228 0.000 2.760 313 V HA 0.582 4.721 4.120 0.030 0.000 0.309 313 V C -0.998 174.963 176.094 -0.222 0.000 1.077 313 V CA -0.735 61.370 62.300 -0.326 0.000 0.910 313 V CB 2.102 33.473 31.823 -0.753 0.000 1.008 313 V HN 0.629 nan 8.190 nan 0.000 0.424 314 E N 3.112 123.233 120.200 -0.132 0.000 2.114 314 E HA 0.661 5.029 4.350 0.030 0.000 0.266 314 E C -0.484 176.100 176.600 -0.027 0.000 0.896 314 E CA -0.300 56.066 56.400 -0.055 0.000 0.750 314 E CB 2.103 31.807 29.700 0.007 0.000 1.121 314 E HN 0.790 nan 8.360 nan 0.000 0.413 315 A N 4.061 126.879 122.820 -0.004 0.000 2.291 315 A HA 0.320 4.658 4.320 0.030 0.000 0.311 315 A C 0.061 177.699 177.584 0.090 0.000 1.224 315 A CA -0.810 51.279 52.037 0.086 0.000 0.821 315 A CB 0.410 19.520 19.000 0.184 0.000 1.172 315 A HN 0.482 nan 8.150 nan 0.000 0.494 316 N N 1.861 120.604 118.700 0.071 0.000 2.454 316 N HA 0.049 4.807 4.740 0.030 0.000 0.260 316 N C -0.203 175.318 175.510 0.018 0.000 1.218 316 N CA 0.572 53.641 53.050 0.032 0.000 0.904 316 N CB 0.415 38.902 38.487 0.000 0.000 1.065 316 N HN 0.614 nan 8.380 nan 0.000 0.462 317 E N 2.775 122.986 120.200 0.018 0.000 1.964 317 E HA 0.203 4.571 4.350 0.030 0.000 0.264 317 E C 0.497 177.016 176.600 -0.135 0.000 1.120 317 E CA -0.446 55.980 56.400 0.043 0.000 1.061 317 E CB 0.273 30.085 29.700 0.187 0.000 1.190 317 E HN 0.664 nan 8.360 nan 0.000 0.459 318 A N 2.797 125.479 122.820 -0.230 0.000 1.877 318 A HA -0.065 4.273 4.320 0.030 0.000 0.216 318 A C 0.339 177.479 177.584 -0.740 0.000 1.186 318 A CA 1.189 52.927 52.037 -0.498 0.000 0.620 318 A CB 0.011 18.854 19.000 -0.262 0.000 0.822 318 A HN 0.435 nan 8.150 nan 0.000 0.443 319 F N -4.355 115.573 119.950 -0.035 0.000 2.608 319 F HA 0.568 5.114 4.527 0.032 0.000 0.309 319 F C 1.015 176.775 175.800 -0.068 0.000 1.103 319 F CA -0.478 57.516 58.000 -0.010 0.000 0.954 319 F CB 1.497 40.481 39.000 -0.027 0.000 1.267 319 F HN 0.063 nan 8.300 nan 0.000 0.444 320 A N 1.810 124.713 122.820 0.137 0.000 1.917 320 A HA -0.109 4.229 4.320 0.030 0.000 0.219 320 A C 2.265 179.694 177.584 -0.258 0.000 1.182 320 A CA 2.438 54.407 52.037 -0.113 0.000 0.633 320 A CB -1.113 17.946 19.000 0.098 0.000 0.819 320 A HN 0.976 nan 8.150 nan 0.000 0.448 321 A N 0.135 122.909 122.820 -0.077 0.000 1.873 321 A HA -0.282 4.057 4.320 0.030 0.000 0.218 321 A C 2.160 179.619 177.584 -0.208 0.000 1.193 321 A CA 2.534 54.496 52.037 -0.125 0.000 0.629 321 A CB -0.700 18.251 19.000 -0.082 0.000 0.826 321 A HN 0.768 nan 8.150 nan 0.000 0.447 322 Q N -0.332 119.382 119.800 -0.143 0.000 2.123 322 Q HA 0.257 4.616 4.340 0.030 0.000 0.199 322 Q C 1.896 177.755 176.000 -0.235 0.000 0.966 322 Q CA 1.979 57.676 55.803 -0.177 0.000 0.845 322 Q CB -1.047 27.661 28.738 -0.051 0.000 0.907 322 Q HN 0.476 nan 8.270 nan 0.000 0.439 323 A N 0.693 123.369 122.820 -0.240 0.000 1.883 323 A HA -0.208 4.130 4.320 0.030 0.000 0.217 323 A C 2.380 179.732 177.584 -0.388 0.000 1.186 323 A CA 1.611 53.475 52.037 -0.287 0.000 0.624 323 A CB -1.289 17.462 19.000 -0.415 0.000 0.822 323 A HN 0.626 nan 8.150 nan 0.000 0.444 324 C N -1.150 117.816 119.300 -0.558 0.000 2.429 324 C HA 0.066 4.545 4.460 0.030 0.000 0.277 324 C C 3.331 178.093 174.990 -0.380 0.000 1.262 324 C CA 0.721 59.495 59.018 -0.407 0.000 1.733 324 C CB -1.411 26.123 27.740 -0.344 0.000 2.010 324 C HN 0.711 nan 8.230 nan 0.000 0.483 325 A N 0.316 122.802 122.820 -0.556 0.000 1.902 325 A HA -0.103 4.236 4.320 0.030 0.000 0.217 325 A C 2.289 179.326 177.584 -0.911 0.000 1.181 325 A CA 2.175 53.556 52.037 -1.094 0.000 0.623 325 A CB -0.747 17.368 19.000 -1.475 0.000 0.818 325 A HN 0.367 nan 8.150 nan 0.000 0.443 326 V N 1.073 120.689 119.914 -0.497 0.000 2.295 326 V HA -0.274 3.864 4.120 0.030 0.000 0.246 326 V C 2.314 178.263 176.094 -0.241 0.000 1.049 326 V CA 2.167 64.289 62.300 -0.297 0.000 1.024 326 V CB -0.992 30.775 31.823 -0.093 0.000 0.648 326 V HN 0.561 nan 8.190 nan 0.000 0.447 327 N N 0.197 118.854 118.700 -0.072 0.000 2.120 327 N HA -0.197 4.561 4.740 0.030 0.000 0.188 327 N C 1.838 177.297 175.510 -0.086 0.000 1.024 327 N CA 1.540 54.634 53.050 0.072 0.000 0.852 327 N CB -0.335 38.293 38.487 0.235 0.000 1.003 327 N HN 0.501 nan 8.380 nan 0.000 0.424 328 K N 0.819 121.142 120.400 -0.128 0.000 2.026 328 K HA -0.122 4.216 4.320 0.030 0.000 0.208 328 K C 1.691 178.283 176.600 -0.012 0.000 1.048 328 K CA 1.372 57.638 56.287 -0.035 0.000 0.929 328 K CB -0.046 32.466 32.500 0.020 0.000 0.713 328 K HN 0.112 nan 8.250 nan 0.000 0.439 329 D N 0.253 120.600 120.400 -0.088 0.000 2.123 329 D HA -0.128 4.531 4.640 0.030 0.000 0.200 329 D C 1.941 178.161 176.300 -0.132 0.000 0.976 329 D CA 0.946 54.972 54.000 0.044 0.000 0.831 329 D CB 0.174 41.045 40.800 0.118 0.000 0.974 329 D HN 0.230 nan 8.370 nan 0.000 0.469 330 L N -0.161 120.842 121.223 -0.368 0.000 2.109 330 L HA 0.052 4.410 4.340 0.030 0.000 0.207 330 L C 2.025 178.650 176.870 -0.408 0.000 1.086 330 L CA 1.000 55.491 54.840 -0.582 0.000 0.760 330 L CB -0.430 40.825 42.059 -1.339 0.000 0.910 330 L HN 0.282 nan 8.230 nan 0.000 0.437 331 G N -0.620 107.997 108.800 -0.305 0.000 2.159 331 G HA2 -0.257 3.721 3.960 0.030 0.000 0.256 331 G HA3 -0.257 3.721 3.960 0.030 0.000 0.256 331 G C -0.048 174.891 174.900 0.066 0.000 0.977 331 G CA 0.160 45.219 45.100 -0.068 0.000 0.652 331 G HN 0.365 nan 8.290 nan 0.000 0.531 332 W N 0.929 122.251 121.300 0.037 0.000 2.148 332 W HA 0.583 5.262 4.660 0.032 0.000 0.347 332 W C 0.068 176.607 176.519 0.033 0.000 1.288 332 W CA -2.137 55.229 57.345 0.035 0.000 1.252 332 W CB 0.209 29.692 29.460 0.039 0.000 1.156 332 W HN 0.114 nan 8.180 nan 0.000 0.580 333 D N 4.177 124.744 120.400 0.278 0.000 2.382 333 D HA 0.026 4.684 4.640 0.030 0.000 0.259 333 D C -0.961 175.409 176.300 0.117 0.000 1.224 333 D CA -1.920 52.171 54.000 0.151 0.000 0.894 333 D CB 1.151 42.000 40.800 0.082 0.000 1.127 333 D HN 0.165 nan 8.370 nan 0.000 0.487 334 P HA -0.162 nan 4.420 nan 0.000 0.221 334 P C 1.148 178.463 177.300 0.026 0.000 1.145 334 P CA 0.774 63.938 63.100 0.107 0.000 0.795 334 P CB 0.026 31.809 31.700 0.139 0.000 0.775 335 S N 0.288 115.998 115.700 0.017 0.000 2.474 335 S HA -0.097 4.391 4.470 0.030 0.000 0.235 335 S C 1.806 176.382 174.600 -0.040 0.000 0.997 335 S CA 0.677 58.870 58.200 -0.011 0.000 0.949 335 S CB -1.450 61.748 63.200 -0.003 0.000 0.766 335 S HN 0.376 nan 8.310 nan 0.000 0.517 336 I N -1.106 119.427 120.570 -0.060 0.000 3.956 336 I HA 0.437 4.625 4.170 0.030 0.000 0.333 336 I C -0.586 175.435 176.117 -0.161 0.000 1.302 336 I CA -0.518 60.722 61.300 -0.100 0.000 1.122 336 I CB 0.405 38.346 38.000 -0.098 0.000 1.013 336 I HN -0.018 nan 8.210 nan 0.000 0.405 337 V N 2.735 122.552 119.914 -0.161 0.000 2.398 337 V HA 0.342 4.480 4.120 0.030 0.000 0.286 337 V C -0.024 176.013 176.094 -0.096 0.000 1.026 337 V CA -0.656 61.526 62.300 -0.198 0.000 0.868 337 V CB 0.748 32.445 31.823 -0.211 0.000 0.982 337 V HN 0.494 nan 8.190 nan 0.000 0.443 338 N N 1.948 120.601 118.700 -0.078 0.000 2.705 338 N HA -0.158 4.601 4.740 0.030 0.000 0.255 338 N C 1.014 176.500 175.510 -0.040 0.000 1.008 338 N CA 1.031 54.062 53.050 -0.031 0.000 0.742 338 N CB -0.912 37.568 38.487 -0.012 0.000 0.906 338 N HN 0.944 nan 8.380 nan 0.000 0.541 339 V N -2.828 117.060 119.914 -0.044 0.000 2.688 339 V HA -0.138 4.001 4.120 0.030 0.000 0.256 339 V C 1.281 177.346 176.094 -0.048 0.000 1.084 339 V CA 1.696 63.965 62.300 -0.052 0.000 1.103 339 V CB -0.004 31.786 31.823 -0.054 0.000 0.688 339 V HN 0.341 nan 8.190 nan 0.000 0.480 340 N N 1.289 119.981 118.700 -0.014 0.000 2.273 340 N HA 0.434 5.193 4.740 0.030 0.000 0.231 340 N C 0.775 176.358 175.510 0.122 0.000 1.134 340 N CA 0.932 53.979 53.050 -0.004 0.000 0.856 340 N CB 0.803 39.256 38.487 -0.056 0.000 1.068 340 N HN 0.870 nan 8.380 nan 0.000 0.510 341 G N -0.899 107.930 108.800 0.048 0.000 2.756 341 G HA2 0.106 4.084 3.960 0.030 0.000 0.678 341 G HA3 0.106 4.084 3.960 0.030 0.000 0.678 341 G C -0.212 174.720 174.900 0.053 0.000 1.349 341 G CA -0.571 44.550 45.100 0.035 0.000 0.847 341 G HN 0.488 nan 8.290 nan 0.000 0.548 342 G N -2.298 106.515 108.800 0.022 0.000 3.086 342 G HA2 0.827 4.805 3.960 0.030 0.000 0.282 342 G HA3 0.827 4.805 3.960 0.030 0.000 0.282 342 G C 1.077 176.008 174.900 0.051 0.000 1.343 342 G CA 1.013 46.139 45.100 0.043 0.000 0.895 342 G HN 2.028 nan 8.290 nan 0.000 0.557 343 A N -0.798 122.053 122.820 0.053 0.000 2.067 343 A HA 0.100 4.438 4.320 0.030 0.000 0.219 343 A C 2.257 179.902 177.584 0.103 0.000 1.158 343 A CA 1.187 53.258 52.037 0.058 0.000 0.661 343 A CB -0.551 18.435 19.000 -0.024 0.000 0.801 343 A HN 0.502 nan 8.150 nan 0.000 0.452 344 I N -0.517 120.108 120.570 0.092 0.000 2.264 344 I HA -0.308 3.880 4.170 0.030 0.000 0.248 344 I C 2.829 179.017 176.117 0.117 0.000 1.111 344 I CA 1.275 62.646 61.300 0.118 0.000 1.382 344 I CB -0.154 37.915 38.000 0.115 0.000 1.060 344 I HN 0.383 nan 8.210 nan 0.000 0.418 345 A N 0.297 123.156 122.820 0.065 0.000 1.887 345 A HA 0.069 4.407 4.320 0.030 0.000 0.212 345 A C 2.187 179.837 177.584 0.110 0.000 1.198 345 A CA 0.783 52.823 52.037 0.005 0.000 0.628 345 A CB -0.447 18.550 19.000 -0.005 0.000 0.847 345 A HN 0.301 nan 8.150 nan 0.000 0.449 346 I N -1.110 119.540 120.570 0.134 0.000 2.584 346 I HA 0.247 4.435 4.170 0.030 0.000 0.255 346 I C 1.280 177.510 176.117 0.189 0.000 1.145 346 I CA 1.020 62.375 61.300 0.092 0.000 1.462 346 I CB -0.092 37.881 38.000 -0.045 0.000 1.102 346 I HN 0.517 nan 8.210 nan 0.000 0.433 347 G N 0.124 109.058 108.800 0.223 0.000 2.479 347 G HA2 -0.157 3.821 3.960 0.030 0.000 0.686 347 G HA3 -0.157 3.821 3.960 0.030 0.000 0.686 347 G C -1.063 173.875 174.900 0.063 0.000 1.295 347 G CA -0.776 44.345 45.100 0.035 0.000 0.922 347 G HN 0.298 nan 8.290 nan 0.000 0.582 348 H N 1.195 120.179 119.070 -0.142 0.000 2.448 348 H HA 0.538 5.112 4.556 0.030 0.000 0.237 348 H C -2.320 172.947 175.328 -0.102 0.000 1.391 348 H CA -1.723 54.262 56.048 -0.106 0.000 1.477 348 H CB 1.392 31.085 29.762 -0.115 0.000 1.520 348 H HN 0.412 nan 8.280 nan 0.000 0.502 349 P HA 0.054 nan 4.420 nan 0.000 0.268 349 P C 1.215 178.321 177.300 -0.323 0.000 1.541 349 P CA 0.050 63.023 63.100 -0.212 0.000 1.093 349 P CB 0.311 31.951 31.700 -0.101 0.000 1.551 350 I N 2.697 122.994 120.570 -0.454 0.000 2.094 350 I HA -0.322 3.867 4.170 0.030 0.000 0.236 350 I C 2.521 178.499 176.117 -0.231 0.000 1.016 350 I CA 2.383 63.390 61.300 -0.489 0.000 1.294 350 I CB -1.319 36.511 38.000 -0.283 0.000 1.006 350 I HN 0.318 nan 8.210 nan 0.000 0.397 351 G N -0.372 108.341 108.800 -0.144 0.000 2.471 351 G HA2 -0.035 3.943 3.960 0.030 0.000 0.219 351 G HA3 -0.035 3.943 3.960 0.030 0.000 0.219 351 G C 1.653 176.507 174.900 -0.077 0.000 1.125 351 G CA 0.728 45.776 45.100 -0.087 0.000 0.775 351 G HN 0.558 nan 8.290 nan 0.000 0.548 352 A N 1.024 123.791 122.820 -0.089 0.000 2.081 352 A HA 0.196 4.535 4.320 0.030 0.000 0.214 352 A C 2.607 180.172 177.584 -0.032 0.000 1.158 352 A CA 1.544 53.541 52.037 -0.065 0.000 0.724 352 A CB -0.373 18.583 19.000 -0.073 0.000 0.826 352 A HN 0.558 nan 8.150 nan 0.000 0.463 353 S N 0.024 115.710 115.700 -0.024 0.000 2.383 353 S HA -0.077 4.411 4.470 0.030 0.000 0.229 353 S C 2.013 176.655 174.600 0.071 0.000 1.030 353 S CA 1.508 59.745 58.200 0.063 0.000 1.002 353 S CB -1.138 62.190 63.200 0.214 0.000 0.829 353 S HN 0.618 nan 8.310 nan 0.000 0.467 354 G N 1.249 110.083 108.800 0.056 0.000 2.422 354 G HA2 0.113 4.091 3.960 0.030 0.000 0.218 354 G HA3 0.113 4.091 3.960 0.030 0.000 0.218 354 G C 1.587 176.507 174.900 0.033 0.000 1.146 354 G CA 0.740 45.870 45.100 0.051 0.000 0.769 354 G HN 0.827 nan 8.290 nan 0.000 0.547 355 A N -0.130 122.698 122.820 0.014 0.000 2.072 355 A HA 0.218 4.556 4.320 0.030 0.000 0.216 355 A C 2.317 179.921 177.584 0.033 0.000 1.156 355 A CA 1.123 53.167 52.037 0.011 0.000 0.701 355 A CB -0.242 18.750 19.000 -0.015 0.000 0.816 355 A HN 0.217 nan 8.150 nan 0.000 0.458 356 R N 0.982 121.501 120.500 0.032 0.000 2.062 356 R HA -0.099 4.259 4.340 0.030 0.000 0.231 356 R C 2.027 178.364 176.300 0.061 0.000 1.136 356 R CA 1.983 58.106 56.100 0.039 0.000 0.948 356 R CB -0.721 29.593 30.300 0.024 0.000 0.845 356 R HN 0.712 nan 8.270 nan 0.000 0.430 357 I N -0.751 119.857 120.570 0.063 0.000 2.493 357 I HA -0.171 4.018 4.170 0.030 0.000 0.254 357 I C 2.198 178.360 176.117 0.075 0.000 1.160 357 I CA 0.960 62.303 61.300 0.072 0.000 1.445 357 I CB -0.436 37.603 38.000 0.066 0.000 1.086 357 I HN 0.021 nan 8.210 nan 0.000 0.433 358 L N 2.111 123.373 121.223 0.065 0.000 2.042 358 L HA -0.210 4.149 4.340 0.030 0.000 0.210 358 L C 2.299 179.218 176.870 0.082 0.000 1.076 358 L CA 1.882 56.757 54.840 0.058 0.000 0.749 358 L CB -1.259 40.822 42.059 0.038 0.000 0.893 358 L HN 0.325 nan 8.230 nan 0.000 0.432 359 N N -1.184 117.590 118.700 0.123 0.000 2.043 359 N HA -0.193 4.565 4.740 0.030 0.000 0.193 359 N C 1.589 177.290 175.510 0.318 0.000 1.037 359 N CA 2.247 55.442 53.050 0.242 0.000 0.851 359 N CB -0.215 38.415 38.487 0.238 0.000 1.027 359 N HN 0.435 nan 8.380 nan 0.000 0.422 360 T N 2.305 116.998 114.554 0.231 0.000 2.665 360 T HA -0.169 4.199 4.350 0.030 0.000 0.268 360 T C 2.002 176.813 174.700 0.184 0.000 1.035 360 T CA 0.892 63.137 62.100 0.243 0.000 1.151 360 T CB -0.435 68.560 68.868 0.212 0.000 0.862 360 T HN 0.130 nan 8.240 nan 0.000 0.438 361 L N 0.715 122.006 121.223 0.114 0.000 2.017 361 L HA 0.003 4.362 4.340 0.030 0.000 0.208 361 L C 2.211 179.103 176.870 0.036 0.000 1.073 361 L CA 1.623 56.499 54.840 0.061 0.000 0.745 361 L CB -0.645 41.438 42.059 0.040 0.000 0.894 361 L HN 0.248 nan 8.230 nan 0.000 0.432 362 L N -1.785 119.440 121.223 0.004 0.000 2.027 362 L HA -0.202 4.156 4.340 0.030 0.000 0.206 362 L C 2.390 179.143 176.870 -0.196 0.000 1.074 362 L CA 1.301 56.061 54.840 -0.133 0.000 0.745 362 L CB -0.580 41.322 42.059 -0.260 0.000 0.898 362 L HN 0.193 nan 8.230 nan 0.000 0.433 363 F N 0.053 120.023 119.950 0.033 0.000 2.234 363 F HA -0.168 4.359 4.527 0.001 0.000 0.299 363 F C 2.576 178.382 175.800 0.010 0.000 1.087 363 F CA 1.169 59.185 58.000 0.027 0.000 1.340 363 F CB -0.251 38.774 39.000 0.042 0.000 1.031 363 F HN 0.069 nan 8.300 nan 0.000 0.500 364 E N 0.411 120.701 120.200 0.151 0.000 2.072 364 E HA -0.166 4.202 4.350 0.030 0.000 0.190 364 E C 2.170 178.783 176.600 0.022 0.000 0.982 364 E CA 1.307 57.745 56.400 0.065 0.000 0.803 364 E CB -0.277 29.448 29.700 0.041 0.000 0.755 364 E HN 0.314 nan 8.360 nan 0.000 0.453 365 M N 0.227 119.830 119.600 0.005 0.000 2.082 365 M HA -0.233 4.266 4.480 0.030 0.000 0.258 365 M C 2.408 178.698 176.300 -0.017 0.000 1.069 365 M CA 2.008 57.298 55.300 -0.016 0.000 1.102 365 M CB -0.333 32.252 32.600 -0.024 0.000 1.336 365 M HN 0.020 nan 8.290 nan 0.000 0.404 366 K N 0.236 120.623 120.400 -0.022 0.000 2.032 366 K HA -0.222 4.117 4.320 0.030 0.000 0.209 366 K C 2.131 178.740 176.600 0.015 0.000 1.048 366 K CA 1.638 57.918 56.287 -0.012 0.000 0.927 366 K CB -0.139 32.348 32.500 -0.021 0.000 0.712 366 K HN 0.168 nan 8.250 nan 0.000 0.441 367 R N 0.730 121.251 120.500 0.035 0.000 2.073 367 R HA -0.149 4.209 4.340 0.030 0.000 0.234 367 R C 2.244 178.546 176.300 0.004 0.000 1.134 367 R CA 2.083 58.200 56.100 0.027 0.000 0.952 367 R CB -0.091 30.226 30.300 0.029 0.000 0.850 367 R HN 0.295 nan 8.270 nan 0.000 0.433 368 R N -1.352 119.146 120.500 -0.004 0.000 2.312 368 R HA 0.186 4.544 4.340 0.030 0.000 0.205 368 R C 0.700 176.989 176.300 -0.018 0.000 0.904 368 R CA 0.709 56.800 56.100 -0.015 0.000 1.052 368 R CB 0.377 30.664 30.300 -0.022 0.000 1.014 368 R HN 0.259 nan 8.270 nan 0.000 0.503 369 G N 0.548 109.338 108.800 -0.016 0.000 2.182 369 G HA2 -0.272 3.707 3.960 0.030 0.000 0.248 369 G HA3 -0.272 3.707 3.960 0.030 0.000 0.248 369 G C 0.105 174.988 174.900 -0.028 0.000 1.042 369 G CA 0.029 45.117 45.100 -0.019 0.000 0.775 369 G HN 0.675 nan 8.290 nan 0.000 0.501 370 A N -0.558 122.243 122.820 -0.031 0.000 2.363 370 A HA 0.766 5.105 4.320 0.030 0.000 0.270 370 A C 1.277 178.834 177.584 -0.046 0.000 1.121 370 A CA 0.339 52.349 52.037 -0.043 0.000 0.800 370 A CB 0.433 19.407 19.000 -0.043 0.000 1.052 370 A HN 0.471 nan 8.150 nan 0.000 0.493 371 R N 0.862 121.321 120.500 -0.069 0.000 2.128 371 R HA 0.080 4.438 4.340 0.030 0.000 0.211 371 R C -0.187 176.059 176.300 -0.090 0.000 1.067 371 R CA 0.818 56.874 56.100 -0.073 0.000 1.010 371 R CB 0.075 30.314 30.300 -0.101 0.000 0.922 371 R HN 0.631 nan 8.270 nan 0.000 0.457 372 K N 0.550 120.854 120.400 -0.160 0.000 2.376 372 K HA 0.449 4.787 4.320 0.030 0.000 0.257 372 K C -0.684 175.879 176.600 -0.061 0.000 0.939 372 K CA -0.483 55.670 56.287 -0.224 0.000 0.809 372 K CB 2.375 34.432 32.500 -0.739 0.000 1.121 372 K HN 0.082 nan 8.250 nan 0.000 0.425 373 G N 1.926 110.793 108.800 0.112 0.000 2.605 373 G HA2 0.742 4.720 3.960 0.030 0.000 0.296 373 G HA3 0.742 4.720 3.960 0.030 0.000 0.296 373 G C -1.859 173.166 174.900 0.208 0.000 1.304 373 G CA -0.682 44.484 45.100 0.109 0.000 0.941 373 G HN 0.500 nan 8.290 nan 0.000 0.475 374 L N 0.369 121.662 121.223 0.117 0.000 2.455 374 L HA 0.850 5.208 4.340 0.030 0.000 0.264 374 L C -0.524 176.383 176.870 0.062 0.000 0.968 374 L CA -0.876 54.045 54.840 0.136 0.000 0.827 374 L CB 2.059 44.239 42.059 0.202 0.000 1.317 374 L HN 0.829 nan 8.230 nan 0.000 0.407 375 A N 2.758 125.632 122.820 0.089 0.000 2.331 375 A HA 0.812 5.150 4.320 0.030 0.000 0.320 375 A C -0.648 177.005 177.584 0.115 0.000 1.138 375 A CA -0.400 51.683 52.037 0.077 0.000 0.790 375 A CB 1.821 20.864 19.000 0.071 0.000 1.206 375 A HN 0.662 nan 8.150 nan 0.000 0.470 376 T N 1.449 116.075 114.554 0.120 0.000 2.894 376 T HA 0.657 5.025 4.350 0.030 0.000 0.309 376 T C -1.707 173.066 174.700 0.122 0.000 1.208 376 T CA -0.299 61.889 62.100 0.146 0.000 1.016 376 T CB 0.598 69.592 68.868 0.209 0.000 1.192 376 T HN 0.572 nan 8.240 nan 0.000 0.491 377 L N 3.049 124.341 121.223 0.115 0.000 2.422 377 L HA 0.646 5.004 4.340 0.030 0.000 0.264 377 L C 0.376 177.302 176.870 0.093 0.000 0.984 377 L CA -0.927 53.969 54.840 0.095 0.000 0.819 377 L CB 1.805 43.923 42.059 0.098 0.000 1.330 377 L HN 0.959 nan 8.230 nan 0.000 0.410 378 C N 0.976 120.322 119.300 0.076 0.000 2.595 378 C HA 0.797 5.275 4.460 0.030 0.000 0.384 378 C C 0.080 175.128 174.990 0.097 0.000 1.289 378 C CA -0.865 58.201 59.018 0.080 0.000 2.372 378 C CB -0.233 27.550 27.740 0.072 0.000 2.593 378 C HN 0.646 nan 8.230 nan 0.000 0.639 379 I N 1.721 122.352 120.570 0.102 0.000 2.534 379 I HA 0.455 4.644 4.170 0.030 0.000 0.288 379 I C 0.939 177.125 176.117 0.115 0.000 1.077 379 I CA -0.327 61.040 61.300 0.110 0.000 1.051 379 I CB 1.460 39.523 38.000 0.105 0.000 1.234 379 I HN 1.067 nan 8.210 nan 0.000 0.425 380 G N 3.000 111.871 108.800 0.118 0.000 2.287 380 G HA2 0.307 4.285 3.960 0.030 0.000 0.235 380 G HA3 0.307 4.285 3.960 0.030 0.000 0.235 380 G C 1.035 176.018 174.900 0.137 0.000 1.258 380 G CA 0.728 45.898 45.100 0.117 0.000 0.884 380 G HN 1.292 nan 8.290 nan 0.000 0.518 381 G N 0.347 109.256 108.800 0.182 0.000 2.176 381 G HA2 0.248 4.226 3.960 0.030 0.000 0.253 381 G HA3 0.248 4.226 3.960 0.030 0.000 0.253 381 G C 1.210 176.229 174.900 0.199 0.000 0.979 381 G CA 0.886 46.153 45.100 0.278 0.000 0.641 381 G HN 2.836 nan 8.290 nan 0.000 0.530 382 G N -1.005 107.879 108.800 0.140 0.000 2.842 382 G HA2 0.185 4.164 3.960 0.030 0.000 0.242 382 G HA3 0.185 4.164 3.960 0.030 0.000 0.242 382 G C -0.212 174.735 174.900 0.078 0.000 1.135 382 G CA 0.683 45.840 45.100 0.095 0.000 1.048 382 G HN 1.205 nan 8.290 nan 0.000 0.530 383 M N -0.714 118.938 119.600 0.086 0.000 2.664 383 M HA 0.749 5.247 4.480 0.030 0.000 0.279 383 M C 0.295 176.644 176.300 0.083 0.000 1.275 383 M CA -0.373 54.975 55.300 0.080 0.000 0.829 383 M CB 2.517 35.171 32.600 0.091 0.000 1.727 383 M HN 0.736 nan 8.290 nan 0.000 0.459 384 G N 0.160 109.010 108.800 0.084 0.000 2.612 384 G HA2 0.705 4.683 3.960 0.030 0.000 0.298 384 G HA3 0.705 4.683 3.960 0.030 0.000 0.298 384 G C -2.289 172.680 174.900 0.114 0.000 1.336 384 G CA -0.611 44.543 45.100 0.091 0.000 0.953 384 G HN 0.565 nan 8.290 nan 0.000 0.482 385 V N 0.155 120.148 119.914 0.132 0.000 2.789 385 V HA 0.923 5.061 4.120 0.030 0.000 0.311 385 V C -0.575 175.621 176.094 0.170 0.000 1.073 385 V CA -0.156 62.250 62.300 0.177 0.000 0.921 385 V CB 1.735 33.671 31.823 0.189 0.000 1.009 385 V HN 1.688 nan 8.190 nan 0.000 0.426 386 A N 6.775 129.713 122.820 0.197 0.000 2.515 386 A HA 0.912 5.251 4.320 0.030 0.000 0.298 386 A C -1.108 176.601 177.584 0.209 0.000 1.059 386 A CA -0.615 51.528 52.037 0.177 0.000 0.698 386 A CB 2.018 21.110 19.000 0.152 0.000 1.289 386 A HN 1.175 nan 8.150 nan 0.000 0.404 387 M N 1.636 121.340 119.600 0.174 0.000 2.393 387 M HA 0.564 5.062 4.480 0.030 0.000 0.299 387 M C -1.816 174.554 176.300 0.116 0.000 1.103 387 M CA -0.278 55.122 55.300 0.166 0.000 0.910 387 M CB 1.669 34.354 32.600 0.143 0.000 1.659 387 M HN 0.698 nan 8.290 nan 0.000 0.445 388 C N 5.217 124.550 119.300 0.056 0.000 2.329 388 C HA 0.713 5.191 4.460 0.030 0.000 0.329 388 C C -0.468 174.552 174.990 0.049 0.000 1.275 388 C CA -0.803 58.223 59.018 0.014 0.000 1.726 388 C CB 0.518 28.054 27.740 -0.341 0.000 2.291 388 C HN 0.624 nan 8.230 nan 0.000 0.514 389 I N 2.833 123.528 120.570 0.208 0.000 2.509 389 I HA 0.480 4.668 4.170 0.030 0.000 0.293 389 I C -0.088 176.232 176.117 0.339 0.000 1.020 389 I CA -0.253 61.160 61.300 0.189 0.000 1.088 389 I CB 1.654 39.723 38.000 0.116 0.000 1.267 389 I HN 0.731 nan 8.210 nan 0.000 0.430 390 E N 3.100 123.466 120.200 0.277 0.000 2.212 390 E HA 0.440 4.808 4.350 0.030 0.000 0.268 390 E C -0.386 176.280 176.600 0.110 0.000 0.902 390 E CA -0.532 56.014 56.400 0.244 0.000 0.779 390 E CB 1.737 31.629 29.700 0.320 0.000 1.172 390 E HN 0.660 nan 8.360 nan 0.000 0.409 391 S N 4.204 119.940 115.700 0.060 0.000 2.564 391 S HA 0.231 4.719 4.470 0.030 0.000 0.278 391 S C 0.238 174.854 174.600 0.026 0.000 1.333 391 S CA -0.724 57.490 58.200 0.023 0.000 1.048 391 S CB 0.419 63.619 63.200 -0.000 0.000 0.900 391 S HN 0.382 nan 8.310 nan 0.000 0.505 392 L N 0.000 121.232 121.223 0.015 0.000 2.949 392 L HA 0.000 4.358 4.340 0.030 0.000 0.249 392 L CA 0.000 54.849 54.840 0.014 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