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 1zk7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEPPVQVAVI GSGGAAMAAA LKAVEQGAQV TLIERGTIGG TcVNVGcVPS DATA SEQUENCE KIMIRAAHIA HLRRESPFDG GIAATVPTID RSKLLAQQQA RVDELRHAKY DATA SEQUENCE EGILGGNPAI TVVHGEARFK DDQSLTVRLN EGGERVVMFD RCLVATGASP DATA SEQUENCE AVPPIPGLKE SPYWTSTEAL ASDTIPERLA VIGSSVVALE LAQAFARLGS DATA SEQUENCE KVTVLARNTL FFREDPAIGE AVTAAFRAEG IEVLEHTQAS QVAHMDGEFV DATA SEQUENCE LTTTHGELRA DKLLVATGRT PNTRSLALDA AGVTVNAQGA IVIDQGMRTS DATA SEQUENCE NPNIYAAGDC TDQPQFVYVA AAAGTRAAIN MTGGDAALDL TAMPAVVFTD DATA SEQUENCE PQVATVGYSE AEAHHDGIET DSRTLTLDNV PRALANFDTR GFIKLVIEEG DATA SEQUENCE SHRLIGVQAV APEAGELIQT AALAIRNRMT VQELADQLFP YLTMVEGLKL DATA SEQUENCE AAQTFNKDVK QLSCCAG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.004 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.602 32.600 0.003 0.000 1.302 2 E N 3.123 123.326 120.200 0.005 0.000 2.231 2 E HA 0.617 4.968 4.350 0.001 0.000 0.277 2 E C -2.221 174.383 176.600 0.006 0.000 0.999 2 E CA -1.367 55.036 56.400 0.006 0.000 0.827 2 E CB 0.646 30.350 29.700 0.007 0.000 1.101 2 E HN 0.397 nan 8.360 nan 0.000 0.393 3 P HA 0.412 nan 4.420 nan 0.000 0.281 3 P C -2.516 174.790 177.300 0.010 0.000 1.249 3 P CA -1.408 61.697 63.100 0.009 0.000 0.810 3 P CB -0.084 31.622 31.700 0.010 0.000 1.008 4 P HA 0.083 nan 4.420 nan 0.000 0.268 4 P C -0.355 176.954 177.300 0.016 0.000 1.205 4 P CA -0.199 62.907 63.100 0.010 0.000 0.771 4 P CB 0.285 31.989 31.700 0.007 0.000 0.858 5 V N 4.101 124.026 119.914 0.017 0.000 2.655 5 V HA -0.025 4.096 4.120 0.001 0.000 0.300 5 V C 0.697 176.813 176.094 0.036 0.000 1.044 5 V CA 0.158 62.475 62.300 0.028 0.000 1.095 5 V CB 0.175 32.011 31.823 0.023 0.000 0.952 5 V HN 0.466 nan 8.190 nan 0.000 0.485 6 Q N 3.764 123.600 119.800 0.059 0.000 2.349 6 Q HA 0.383 4.723 4.340 0.001 0.000 0.254 6 Q C -0.705 175.359 176.000 0.107 0.000 0.980 6 Q CA -0.158 55.691 55.803 0.077 0.000 0.924 6 Q CB 1.577 30.370 28.738 0.092 0.000 1.209 6 Q HN 0.550 nan 8.270 nan 0.000 0.445 7 V N 1.868 121.817 119.914 0.058 0.000 2.417 7 V HA 0.663 4.784 4.120 0.001 0.000 0.291 7 V C -0.219 175.871 176.094 -0.008 0.000 1.024 7 V CA -0.804 61.508 62.300 0.021 0.000 0.861 7 V CB 1.676 33.485 31.823 -0.024 0.000 0.985 7 V HN 0.785 nan 8.190 nan 0.000 0.436 8 A N 4.792 127.565 122.820 -0.078 0.000 2.324 8 A HA 0.886 5.207 4.320 0.001 0.000 0.330 8 A C -0.864 176.618 177.584 -0.170 0.000 1.165 8 A CA -0.533 51.429 52.037 -0.125 0.000 0.813 8 A CB 1.527 20.415 19.000 -0.188 0.000 1.197 8 A HN 0.680 nan 8.150 nan 0.000 0.484 9 V N 3.635 123.476 119.914 -0.121 0.000 2.525 9 V HA 0.343 4.463 4.120 0.001 0.000 0.299 9 V C -0.569 175.467 176.094 -0.096 0.000 1.034 9 V CA -0.151 62.090 62.300 -0.099 0.000 0.863 9 V CB 1.522 33.306 31.823 -0.065 0.000 0.999 9 V HN 0.756 nan 8.190 nan 0.000 0.423 10 I N 4.666 125.180 120.570 -0.093 0.000 2.312 10 I HA 0.788 4.958 4.170 0.001 0.000 0.290 10 I C 0.769 176.857 176.117 -0.047 0.000 1.008 10 I CA 0.095 61.343 61.300 -0.086 0.000 1.226 10 I CB 1.180 39.115 38.000 -0.107 0.000 1.371 10 I HN 0.887 nan 8.210 nan 0.000 0.468 11 G N 4.217 112.991 108.800 -0.044 0.000 2.440 11 G HA2 -0.012 3.949 3.960 0.001 0.000 0.684 11 G HA3 -0.012 3.949 3.960 0.001 0.000 0.684 11 G C -0.242 174.649 174.900 -0.016 0.000 1.309 11 G CA -0.222 44.862 45.100 -0.025 0.000 0.931 11 G HN 0.792 nan 8.290 nan 0.000 0.612 12 S N -0.858 114.840 115.700 -0.003 0.000 3.082 12 S HA 0.618 5.088 4.470 0.001 0.000 0.253 12 S C 1.006 175.644 174.600 0.064 0.000 0.961 12 S CA 0.876 59.094 58.200 0.029 0.000 1.129 12 S CB 0.321 63.527 63.200 0.011 0.000 1.083 12 S HN 2.085 nan 8.310 nan 0.000 0.605 13 G N 1.139 109.968 108.800 0.048 0.000 2.509 13 G HA2 0.512 4.472 3.960 0.001 0.000 0.269 13 G HA3 0.512 4.472 3.960 0.001 0.000 0.269 13 G C 1.076 176.083 174.900 0.179 0.000 1.416 13 G CA -0.217 44.924 45.100 0.068 0.000 1.052 13 G HN 0.436 nan 8.290 nan 0.000 0.542 14 G N -0.251 108.649 108.800 0.166 0.000 2.440 14 G HA2 0.011 3.971 3.960 0.001 0.000 0.218 14 G HA3 0.011 3.971 3.960 0.001 0.000 0.218 14 G C 1.933 176.889 174.900 0.093 0.000 1.154 14 G CA 1.949 47.145 45.100 0.160 0.000 0.767 14 G HN 0.891 nan 8.290 nan 0.000 0.552 15 A N 1.114 123.974 122.820 0.065 0.000 1.873 15 A HA 0.333 4.653 4.320 0.001 0.000 0.215 15 A C 2.841 180.444 177.584 0.033 0.000 1.186 15 A CA 2.240 54.302 52.037 0.042 0.000 0.616 15 A CB -0.864 18.155 19.000 0.032 0.000 0.823 15 A HN 0.797 nan 8.150 nan 0.000 0.442 16 A N -1.064 121.778 122.820 0.036 0.000 1.902 16 A HA -0.109 4.212 4.320 0.001 0.000 0.217 16 A C 2.210 179.807 177.584 0.022 0.000 1.181 16 A CA 1.953 54.003 52.037 0.021 0.000 0.623 16 A CB -0.485 18.526 19.000 0.019 0.000 0.818 16 A HN 0.415 nan 8.150 nan 0.000 0.443 17 M N -0.400 119.233 119.600 0.054 0.000 2.086 17 M HA -0.127 4.353 4.480 0.001 0.000 0.261 17 M C 2.540 178.829 176.300 -0.020 0.000 1.067 17 M CA 1.703 57.016 55.300 0.023 0.000 1.116 17 M CB -1.437 31.176 32.600 0.021 0.000 1.348 17 M HN 0.489 nan 8.290 nan 0.000 0.407 18 A N -0.098 122.717 122.820 -0.009 0.000 1.902 18 A HA -0.031 4.290 4.320 0.001 0.000 0.217 18 A C 2.381 179.952 177.584 -0.022 0.000 1.181 18 A CA 2.199 54.225 52.037 -0.018 0.000 0.623 18 A CB -0.917 18.084 19.000 0.001 0.000 0.818 18 A HN 0.499 nan 8.150 nan 0.000 0.443 19 A N -0.152 122.657 122.820 -0.019 0.000 1.873 19 A HA 0.194 4.515 4.320 0.001 0.000 0.215 19 A C 2.539 180.099 177.584 -0.041 0.000 1.186 19 A CA 2.074 54.090 52.037 -0.034 0.000 0.616 19 A CB -1.129 17.850 19.000 -0.034 0.000 0.823 19 A HN 1.069 nan 8.150 nan 0.000 0.442 20 A N -0.265 122.535 122.820 -0.034 0.000 1.883 20 A HA -0.118 4.202 4.320 0.001 0.000 0.217 20 A C 2.188 179.749 177.584 -0.037 0.000 1.186 20 A CA 1.724 53.739 52.037 -0.036 0.000 0.624 20 A CB -0.696 18.286 19.000 -0.030 0.000 0.822 20 A HN 0.469 nan 8.150 nan 0.000 0.444 21 L N -1.198 120.002 121.223 -0.039 0.000 2.156 21 L HA -0.129 4.212 4.340 0.001 0.000 0.208 21 L C 2.546 179.394 176.870 -0.037 0.000 1.095 21 L CA 1.613 56.429 54.840 -0.040 0.000 0.770 21 L CB -0.247 41.783 42.059 -0.049 0.000 0.914 21 L HN 0.322 nan 8.230 nan 0.000 0.439 22 K N 0.553 120.931 120.400 -0.037 0.000 2.057 22 K HA -0.070 4.250 4.320 0.001 0.000 0.206 22 K C 2.039 178.615 176.600 -0.039 0.000 1.050 22 K CA 1.433 57.698 56.287 -0.036 0.000 0.935 22 K CB -0.309 32.169 32.500 -0.037 0.000 0.715 22 K HN 0.192 nan 8.250 nan 0.000 0.439 23 A N 0.106 122.899 122.820 -0.045 0.000 1.902 23 A HA -0.116 4.205 4.320 0.001 0.000 0.217 23 A C 2.302 179.866 177.584 -0.034 0.000 1.181 23 A CA 1.919 53.928 52.037 -0.047 0.000 0.623 23 A CB -0.832 18.137 19.000 -0.052 0.000 0.818 23 A HN 0.117 nan 8.150 nan 0.000 0.443 24 V N 0.138 120.034 119.914 -0.030 0.000 2.343 24 V HA -0.261 3.859 4.120 0.001 0.000 0.247 24 V C 2.520 178.601 176.094 -0.022 0.000 1.051 24 V CA 2.220 64.505 62.300 -0.024 0.000 1.036 24 V CB -0.718 31.091 31.823 -0.024 0.000 0.654 24 V HN 0.774 nan 8.190 nan 0.000 0.451 25 E N -0.146 120.040 120.200 -0.024 0.000 2.153 25 E HA -0.247 4.104 4.350 0.001 0.000 0.194 25 E C 1.851 178.439 176.600 -0.019 0.000 0.988 25 E CA 1.009 57.396 56.400 -0.021 0.000 0.811 25 E CB 0.035 29.721 29.700 -0.023 0.000 0.746 25 E HN 0.534 nan 8.360 nan 0.000 0.466 26 Q N -0.803 118.984 119.800 -0.023 0.000 2.322 26 Q HA 0.082 4.422 4.340 0.001 0.000 0.203 26 Q C 0.929 176.919 176.000 -0.017 0.000 0.923 26 Q CA 0.760 56.550 55.803 -0.021 0.000 0.949 26 Q CB 1.038 29.759 28.738 -0.028 0.000 1.039 26 Q HN 0.489 nan 8.270 nan 0.000 0.496 27 G N 0.148 108.939 108.800 -0.015 0.000 2.157 27 G HA2 -0.249 3.712 3.960 0.001 0.000 0.239 27 G HA3 -0.249 3.712 3.960 0.001 0.000 0.239 27 G C 0.289 175.184 174.900 -0.008 0.000 0.982 27 G CA 0.136 45.230 45.100 -0.010 0.000 0.650 27 G HN 0.580 nan 8.290 nan 0.000 0.527 28 A N -0.586 122.227 122.820 -0.012 0.000 2.279 28 A HA 0.814 5.134 4.320 0.001 0.000 0.303 28 A C 0.306 177.886 177.584 -0.007 0.000 1.108 28 A CA 0.130 52.163 52.037 -0.008 0.000 0.830 28 A CB 0.851 19.843 19.000 -0.014 0.000 1.106 28 A HN 0.583 nan 8.150 nan 0.000 0.493 29 Q N 0.718 120.519 119.800 0.001 0.000 2.314 29 Q HA 0.557 4.897 4.340 0.001 0.000 0.259 29 Q C -1.496 174.506 176.000 0.002 0.000 0.951 29 Q CA -0.423 55.381 55.803 0.002 0.000 0.909 29 Q CB 1.246 29.989 28.738 0.008 0.000 1.236 29 Q HN 0.537 nan 8.270 nan 0.000 0.444 30 V N 3.154 123.064 119.914 -0.008 0.000 2.483 30 V HA 0.464 4.584 4.120 0.001 0.000 0.295 30 V C -0.277 175.808 176.094 -0.016 0.000 1.035 30 V CA -0.541 61.751 62.300 -0.014 0.000 0.896 30 V CB 2.004 33.811 31.823 -0.026 0.000 0.986 30 V HN 0.799 nan 8.190 nan 0.000 0.447 31 T N 5.917 120.461 114.554 -0.017 0.000 2.833 31 T HA 0.500 4.851 4.350 0.001 0.000 0.297 31 T C -0.625 174.048 174.700 -0.046 0.000 1.015 31 T CA -0.161 61.925 62.100 -0.023 0.000 0.963 31 T CB 0.892 69.759 68.868 -0.002 0.000 0.955 31 T HN 0.523 nan 8.240 nan 0.000 0.449 32 L N 5.043 126.230 121.223 -0.060 0.000 2.296 32 L HA 0.706 5.047 4.340 0.001 0.000 0.286 32 L C -1.405 175.406 176.870 -0.098 0.000 1.023 32 L CA -0.906 53.889 54.840 -0.074 0.000 0.812 32 L CB 0.588 42.609 42.059 -0.064 0.000 1.223 32 L HN 0.507 nan 8.230 nan 0.000 0.421 33 I N 4.487 125.000 120.570 -0.095 0.000 2.378 33 I HA 0.464 4.635 4.170 0.001 0.000 0.291 33 I C -0.518 175.544 176.117 -0.091 0.000 0.992 33 I CA -0.212 61.026 61.300 -0.102 0.000 1.154 33 I CB 1.722 39.667 38.000 -0.091 0.000 1.315 33 I HN 0.490 nan 8.210 nan 0.000 0.448 34 E N 5.032 125.170 120.200 -0.102 0.000 2.246 34 E HA 0.438 4.789 4.350 0.001 0.000 0.266 34 E C 0.362 176.957 176.600 -0.008 0.000 0.880 34 E CA -0.760 55.606 56.400 -0.057 0.000 0.762 34 E CB 1.242 30.907 29.700 -0.060 0.000 1.180 34 E HN 0.550 nan 8.360 nan 0.000 0.416 35 R N 2.506 123.009 120.500 0.004 0.000 2.210 35 R HA 0.327 4.668 4.340 0.001 0.000 0.203 35 R C 0.792 177.115 176.300 0.039 0.000 1.010 35 R CA 0.663 56.777 56.100 0.024 0.000 1.008 35 R CB 0.358 30.661 30.300 0.006 0.000 0.923 35 R HN 0.349 nan 8.270 nan 0.000 0.469 36 G N 0.300 109.119 108.800 0.031 0.000 3.234 36 G HA2 0.259 4.220 3.960 0.001 0.000 0.159 36 G HA3 0.259 4.220 3.960 0.001 0.000 0.159 36 G C -1.014 173.907 174.900 0.034 0.000 1.175 36 G CA -0.578 44.536 45.100 0.023 0.000 0.900 36 G HN 0.046 nan 8.290 nan 0.000 0.621 37 T N 1.961 116.515 114.554 -0.000 0.000 2.916 37 T HA 0.254 4.604 4.350 0.001 0.000 0.303 37 T C 0.637 175.323 174.700 -0.023 0.000 1.025 37 T CA -0.098 61.997 62.100 -0.009 0.000 1.142 37 T CB 0.539 69.384 68.868 -0.039 0.000 0.947 37 T HN 0.127 nan 8.240 nan 0.000 0.544 38 I N 2.746 123.316 120.570 0.001 0.000 2.710 38 I HA 0.212 4.382 4.170 0.001 0.000 0.286 38 I C 1.632 177.646 176.117 -0.171 0.000 1.181 38 I CA 1.039 62.324 61.300 -0.026 0.000 1.430 38 I CB 0.151 38.176 38.000 0.042 0.000 1.367 38 I HN 1.041 nan 8.210 nan 0.000 0.577 39 G N 3.769 112.403 108.800 -0.278 0.000 2.253 39 G HA2 -0.047 3.913 3.960 0.001 0.000 0.209 39 G HA3 -0.047 3.913 3.960 0.001 0.000 0.209 39 G C 0.743 175.367 174.900 -0.459 0.000 0.997 39 G CA 0.117 44.752 45.100 -0.776 0.000 0.640 39 G HN 1.493 nan 8.290 nan 0.000 0.496 40 G N -0.763 107.906 108.800 -0.218 0.000 2.547 40 G HA2 -0.100 3.860 3.960 0.001 0.000 0.271 40 G HA3 -0.100 3.860 3.960 0.001 0.000 0.271 40 G C 1.021 175.849 174.900 -0.120 0.000 1.209 40 G CA 1.544 46.569 45.100 -0.126 0.000 0.959 40 G HN 1.319 nan 8.290 nan 0.000 0.563 41 T N -0.449 114.059 114.554 -0.076 0.000 2.735 41 T HA -0.089 4.261 4.350 0.001 0.000 0.256 41 T C 2.409 177.078 174.700 -0.051 0.000 1.042 41 T CA 2.325 64.391 62.100 -0.057 0.000 1.147 41 T CB -0.770 68.077 68.868 -0.034 0.000 0.865 41 T HN 0.960 nan 8.240 nan 0.000 0.421 42 c N 1.165 119.749 118.600 -0.027 0.000 2.367 42 c HA -0.085 4.485 4.570 0.001 0.000 0.276 42 c C 2.810 176.891 174.090 -0.015 0.000 1.195 42 c CA 1.234 57.566 56.329 0.005 0.000 1.756 42 c CB -1.205 41.341 42.510 0.061 0.000 2.046 42 c HN 0.388 nan 8.230 nan 0.000 0.453 43 V N 1.475 121.354 119.914 -0.058 0.000 2.548 43 V HA -0.083 4.038 4.120 0.001 0.000 0.249 43 V C 2.114 178.159 176.094 -0.082 0.000 1.055 43 V CA 2.450 64.713 62.300 -0.062 0.000 1.065 43 V CB -0.603 31.146 31.823 -0.124 0.000 0.681 43 V HN 0.607 nan 8.190 nan 0.000 0.462 44 N N 0.292 118.925 118.700 -0.112 0.000 2.278 44 N HA 0.017 4.758 4.740 0.001 0.000 0.181 44 N C 1.166 176.636 175.510 -0.066 0.000 1.023 44 N CA 1.939 54.935 53.050 -0.090 0.000 0.862 44 N CB 0.516 38.940 38.487 -0.104 0.000 1.003 44 N HN 0.567 nan 8.380 nan 0.000 0.431 45 V N -3.578 116.300 119.914 -0.060 0.000 3.172 45 V HA 0.638 4.759 4.120 0.001 0.000 0.343 45 V C 0.588 176.662 176.094 -0.034 0.000 1.429 45 V CA -0.062 62.209 62.300 -0.049 0.000 1.149 45 V CB 0.536 32.330 31.823 -0.050 0.000 1.106 45 V HN 0.128 nan 8.190 nan 0.000 0.526 46 G N 0.087 108.870 108.800 -0.028 0.000 3.244 46 G HA2 0.194 4.155 3.960 0.001 0.000 0.197 46 G HA3 0.194 4.155 3.960 0.001 0.000 0.197 46 G C 1.070 175.970 174.900 -0.001 0.000 1.531 46 G CA 0.694 45.789 45.100 -0.008 0.000 0.747 46 G HN 0.297 nan 8.290 nan 0.000 0.763 47 c N 0.178 118.788 118.600 0.016 0.000 2.376 47 c HA -0.071 4.500 4.570 0.001 0.000 0.275 47 c C 2.929 176.993 174.090 -0.043 0.000 1.200 47 c CA 0.955 57.289 56.329 0.009 0.000 1.756 47 c CB -1.477 41.065 42.510 0.053 0.000 2.050 47 c HN 0.250 nan 8.230 nan 0.000 0.460 48 V N 3.043 122.942 119.914 -0.026 0.000 2.223 48 V HA -0.163 3.958 4.120 0.001 0.000 0.244 48 V C 0.362 176.422 176.094 -0.055 0.000 1.045 48 V CA 2.787 65.063 62.300 -0.040 0.000 1.000 48 V CB -2.093 29.723 31.823 -0.012 0.000 0.635 48 V HN 0.405 nan 8.190 nan 0.000 0.445 49 P HA -0.144 nan 4.420 nan 0.000 0.217 49 P C 1.983 179.246 177.300 -0.061 0.000 1.150 49 P CA 2.265 65.332 63.100 -0.054 0.000 0.832 49 P CB -0.190 31.479 31.700 -0.052 0.000 0.787 50 S N 0.158 115.828 115.700 -0.051 0.000 2.368 50 S HA -0.116 4.355 4.470 0.001 0.000 0.224 50 S C 2.031 176.585 174.600 -0.075 0.000 1.029 50 S CA 1.095 59.271 58.200 -0.040 0.000 0.988 50 S CB -0.887 62.313 63.200 -0.000 0.000 0.838 50 S HN -0.008 nan 8.310 nan 0.000 0.462 51 K N 1.299 121.615 120.400 -0.139 0.000 2.148 51 K HA 0.289 4.609 4.320 0.001 0.000 0.204 51 K C 1.874 178.391 176.600 -0.137 0.000 1.050 51 K CA 1.007 57.161 56.287 -0.221 0.000 0.942 51 K CB -0.529 31.742 32.500 -0.381 0.000 0.724 51 K HN 0.487 nan 8.250 nan 0.000 0.446 52 I N 0.081 120.590 120.570 -0.102 0.000 2.202 52 I HA -0.262 3.908 4.170 0.001 0.000 0.242 52 I C 2.374 178.451 176.117 -0.067 0.000 1.091 52 I CA 1.132 62.388 61.300 -0.074 0.000 1.368 52 I CB -0.156 37.806 38.000 -0.063 0.000 1.058 52 I HN 0.218 nan 8.210 nan 0.000 0.410 53 M N 0.728 120.280 119.600 -0.079 0.000 2.159 53 M HA -0.203 4.278 4.480 0.001 0.000 0.263 53 M C 2.236 178.493 176.300 -0.072 0.000 1.063 53 M CA 1.905 57.147 55.300 -0.098 0.000 1.110 53 M CB -0.024 32.493 32.600 -0.138 0.000 1.374 53 M HN 0.130 nan 8.290 nan 0.000 0.411 54 I N -0.384 120.161 120.570 -0.043 0.000 2.315 54 I HA -0.264 3.906 4.170 0.001 0.000 0.248 54 I C 2.505 178.644 176.117 0.036 0.000 1.117 54 I CA 0.902 62.206 61.300 0.006 0.000 1.404 54 I CB -0.424 37.597 38.000 0.034 0.000 1.071 54 I HN 0.308 nan 8.210 nan 0.000 0.419 55 R N 1.718 122.222 120.500 0.005 0.000 2.075 55 R HA -0.071 4.269 4.340 0.001 0.000 0.232 55 R C 2.195 178.534 176.300 0.065 0.000 1.126 55 R CA 1.799 57.920 56.100 0.034 0.000 0.963 55 R CB -0.715 29.580 30.300 -0.009 0.000 0.858 55 R HN 0.309 nan 8.270 nan 0.000 0.435 56 A N 0.338 123.167 122.820 0.016 0.000 1.902 56 A HA -0.048 4.273 4.320 0.001 0.000 0.217 56 A C 2.372 179.971 177.584 0.023 0.000 1.181 56 A CA 1.826 53.867 52.037 0.008 0.000 0.623 56 A CB -1.080 17.901 19.000 -0.032 0.000 0.818 56 A HN 0.481 nan 8.150 nan 0.000 0.443 57 A N -1.239 121.591 122.820 0.018 0.000 1.933 57 A HA -0.167 4.153 4.320 0.001 0.000 0.218 57 A C 1.994 179.631 177.584 0.089 0.000 1.175 57 A CA 2.062 54.114 52.037 0.025 0.000 0.628 57 A CB -0.811 18.187 19.000 -0.004 0.000 0.814 57 A HN 0.748 nan 8.150 nan 0.000 0.444 58 H N -0.208 118.884 119.070 0.036 0.000 2.357 58 H HA 0.008 4.564 4.556 0.001 0.000 0.301 58 H C 1.737 177.122 175.328 0.095 0.000 1.082 58 H CA 1.947 58.041 56.048 0.077 0.000 1.342 58 H CB -0.166 29.632 29.762 0.061 0.000 1.389 58 H HN 0.446 nan 8.280 nan 0.000 0.511 59 I N -0.136 120.501 120.570 0.112 0.000 2.252 59 I HA -0.232 3.938 4.170 0.001 0.000 0.245 59 I C 2.677 178.796 176.117 0.003 0.000 1.102 59 I CA 0.952 62.279 61.300 0.045 0.000 1.385 59 I CB -0.451 37.580 38.000 0.051 0.000 1.064 59 I HN 0.391 nan 8.210 nan 0.000 0.414 60 A N 0.221 123.052 122.820 0.018 0.000 1.902 60 A HA -0.316 4.004 4.320 0.001 0.000 0.217 60 A C 2.195 179.784 177.584 0.007 0.000 1.181 60 A CA 2.217 54.260 52.037 0.009 0.000 0.623 60 A CB -1.014 17.996 19.000 0.016 0.000 0.818 60 A HN 0.530 nan 8.150 nan 0.000 0.443 61 H N -0.557 118.464 119.070 -0.081 0.000 2.321 61 H HA -0.064 4.493 4.556 0.001 0.000 0.300 61 H C 1.568 176.829 175.328 -0.112 0.000 1.087 61 H CA 1.939 57.928 56.048 -0.098 0.000 1.319 61 H CB -0.227 29.458 29.762 -0.129 0.000 1.379 61 H HN 0.292 nan 8.280 nan 0.000 0.501 62 L N 0.296 121.400 121.223 -0.197 0.000 2.275 62 L HA -0.021 4.319 4.340 0.001 0.000 0.215 62 L C 2.373 179.156 176.870 -0.146 0.000 1.119 62 L CA 1.298 56.013 54.840 -0.209 0.000 0.790 62 L CB -0.390 41.579 42.059 -0.150 0.000 0.919 62 L HN 0.236 nan 8.230 nan 0.000 0.443 63 R N -1.196 119.240 120.500 -0.107 0.000 2.200 63 R HA -0.015 4.325 4.340 0.001 0.000 0.208 63 R C 2.231 178.480 176.300 -0.086 0.000 1.033 63 R CA 0.453 56.509 56.100 -0.073 0.000 1.000 63 R CB -0.070 30.204 30.300 -0.044 0.000 0.906 63 R HN 0.275 nan 8.270 nan 0.000 0.462 64 R N 1.327 121.750 120.500 -0.128 0.000 2.112 64 R HA -0.034 4.307 4.340 0.001 0.000 0.216 64 R C -0.138 176.071 176.300 -0.152 0.000 1.080 64 R CA 1.032 57.058 56.100 -0.123 0.000 0.996 64 R CB 0.483 30.713 30.300 -0.116 0.000 0.902 64 R HN 0.226 nan 8.270 nan 0.000 0.449 65 E N -0.668 119.384 120.200 -0.247 0.000 2.401 65 E HA 0.337 4.687 4.350 0.001 0.000 0.280 65 E C -1.602 174.884 176.600 -0.189 0.000 1.039 65 E CA -0.965 55.315 56.400 -0.199 0.000 0.814 65 E CB 1.702 31.284 29.700 -0.197 0.000 1.275 65 E HN 0.123 nan 8.360 nan 0.000 0.448 66 S N -0.197 115.464 115.700 -0.065 0.000 2.615 66 S HA 0.440 4.911 4.470 0.001 0.000 0.268 66 S C -2.663 171.976 174.600 0.065 0.000 1.146 66 S CA -1.021 57.197 58.200 0.031 0.000 0.818 66 S CB 1.348 64.600 63.200 0.087 0.000 1.111 66 S HN 0.367 nan 8.310 nan 0.000 0.465 67 P HA 0.276 nan 4.420 nan 0.000 0.242 67 P C -0.094 177.014 177.300 -0.321 0.000 1.197 67 P CA 0.625 63.692 63.100 -0.055 0.000 0.765 67 P CB -0.219 31.486 31.700 0.009 0.000 0.936 68 F N -1.421 118.472 119.950 -0.096 0.000 2.668 68 F HA 0.161 4.688 4.527 0.001 0.000 0.301 68 F C 1.262 177.001 175.800 -0.101 0.000 1.106 68 F CA -0.149 57.771 58.000 -0.134 0.000 1.289 68 F CB -0.207 38.734 39.000 -0.099 0.000 1.006 68 F HN -0.199 nan 8.300 nan 0.000 0.535 69 D N 0.234 120.652 120.400 0.030 0.000 2.351 69 D HA -0.096 4.544 4.640 0.001 0.000 0.216 69 D C 2.420 178.710 176.300 -0.017 0.000 0.968 69 D CA 0.993 54.996 54.000 0.005 0.000 0.899 69 D CB -0.232 40.559 40.800 -0.016 0.000 0.907 69 D HN 0.392 nan 8.370 nan 0.000 0.514 70 G N 0.132 108.904 108.800 -0.048 0.000 2.443 70 G HA2 -0.074 3.886 3.960 0.001 0.000 0.219 70 G HA3 -0.074 3.886 3.960 0.001 0.000 0.219 70 G C 1.413 176.297 174.900 -0.028 0.000 1.131 70 G CA 0.811 45.879 45.100 -0.053 0.000 0.775 70 G HN 0.404 nan 8.290 nan 0.000 0.547 71 G N -0.575 108.223 108.800 -0.004 0.000 3.274 71 G HA2 0.423 4.384 3.960 0.001 0.000 0.250 71 G HA3 0.423 4.384 3.960 0.001 0.000 0.250 71 G C 0.091 175.004 174.900 0.023 0.000 1.024 71 G CA -0.285 44.823 45.100 0.014 0.000 0.840 71 G HN 0.307 nan 8.290 nan 0.000 0.522 72 I N 1.636 122.223 120.570 0.029 0.000 2.468 72 I HA 0.489 4.659 4.170 0.001 0.000 0.285 72 I C 0.336 176.456 176.117 0.004 0.000 1.039 72 I CA -1.119 60.191 61.300 0.016 0.000 1.074 72 I CB 2.020 40.033 38.000 0.022 0.000 1.228 72 I HN 0.019 nan 8.210 nan 0.000 0.436 73 A N 4.763 127.580 122.820 -0.004 0.000 2.520 73 A HA 0.666 4.986 4.320 0.001 0.000 0.235 73 A C 0.238 177.814 177.584 -0.015 0.000 1.065 73 A CA 0.174 52.206 52.037 -0.009 0.000 0.764 73 A CB 0.312 19.306 19.000 -0.010 0.000 1.002 73 A HN 0.864 nan 8.150 nan 0.000 0.502 74 A N 1.159 123.968 122.820 -0.019 0.000 2.386 74 A HA 0.943 5.264 4.320 0.001 0.000 0.308 74 A C 0.077 177.646 177.584 -0.025 0.000 1.128 74 A CA 0.110 52.130 52.037 -0.028 0.000 0.789 74 A CB 1.402 20.379 19.000 -0.039 0.000 1.325 74 A HN 2.018 nan 8.150 nan 0.000 0.437 75 T N -2.624 111.913 114.554 -0.029 0.000 2.843 75 T HA 0.580 4.930 4.350 0.001 0.000 0.302 75 T C -1.082 173.604 174.700 -0.024 0.000 1.232 75 T CA -0.598 61.489 62.100 -0.022 0.000 1.009 75 T CB 0.917 69.775 68.868 -0.016 0.000 1.254 75 T HN 0.825 nan 8.240 nan 0.000 0.504 76 V N 3.781 123.685 119.914 -0.016 0.000 2.372 76 V HA 0.400 4.520 4.120 0.001 0.000 0.261 76 V C -1.663 174.426 176.094 -0.008 0.000 1.055 76 V CA -1.226 61.067 62.300 -0.012 0.000 0.930 76 V CB 0.305 32.126 31.823 -0.004 0.000 1.031 76 V HN 0.819 nan 8.190 nan 0.000 0.479 77 P HA 0.212 nan 4.420 nan 0.000 0.276 77 P C -0.105 177.195 177.300 -0.001 0.000 1.230 77 P CA -0.203 62.893 63.100 -0.007 0.000 0.776 77 P CB 0.817 32.511 31.700 -0.010 0.000 0.888 78 T N 3.808 118.362 114.554 0.001 0.000 2.884 78 T HA 0.276 4.627 4.350 0.001 0.000 0.298 78 T C 0.441 175.144 174.700 0.004 0.000 0.998 78 T CA 0.054 62.157 62.100 0.004 0.000 1.124 78 T CB 0.078 68.948 68.868 0.004 0.000 0.931 78 T HN 0.216 nan 8.240 nan 0.000 0.531 79 I N 3.261 123.836 120.570 0.008 0.000 2.406 79 I HA 0.290 4.460 4.170 0.001 0.000 0.290 79 I C 0.028 176.150 176.117 0.008 0.000 0.999 79 I CA -0.855 60.448 61.300 0.005 0.000 1.124 79 I CB 1.672 39.675 38.000 0.005 0.000 1.289 79 I HN 0.587 nan 8.210 nan 0.000 0.441 80 D N 5.756 126.157 120.400 0.002 0.000 2.477 80 D HA 0.166 4.807 4.640 0.001 0.000 0.239 80 D C 1.098 177.398 176.300 -0.000 0.000 1.102 80 D CA -0.436 53.567 54.000 0.005 0.000 0.901 80 D CB 0.888 41.690 40.800 0.002 0.000 1.026 80 D HN 0.335 nan 8.370 nan 0.000 0.515 81 R N 1.976 122.479 120.500 0.005 0.000 2.152 81 R HA -0.092 4.249 4.340 0.001 0.000 0.232 81 R C 1.696 177.993 176.300 -0.005 0.000 1.117 81 R CA 1.545 57.643 56.100 -0.004 0.000 0.981 81 R CB -0.490 29.819 30.300 0.015 0.000 0.870 81 R HN 0.279 nan 8.270 nan 0.000 0.451 82 S N -0.105 115.598 115.700 0.005 0.000 2.368 82 S HA -0.078 4.393 4.470 0.001 0.000 0.225 82 S C 1.549 176.144 174.600 -0.007 0.000 1.030 82 S CA 1.068 59.269 58.200 0.002 0.000 0.999 82 S CB -0.112 63.093 63.200 0.008 0.000 0.844 82 S HN 0.267 nan 8.310 nan 0.000 0.459 83 K N 1.068 121.464 120.400 -0.007 0.000 2.097 83 K HA 0.101 4.421 4.320 0.001 0.000 0.205 83 K C 2.111 178.700 176.600 -0.018 0.000 1.050 83 K CA 0.803 57.083 56.287 -0.011 0.000 0.938 83 K CB -0.750 31.745 32.500 -0.009 0.000 0.718 83 K HN 0.426 nan 8.250 nan 0.000 0.442 84 L N 0.559 121.768 121.223 -0.023 0.000 2.056 84 L HA -0.162 4.179 4.340 0.001 0.000 0.207 84 L C 2.422 179.268 176.870 -0.041 0.000 1.078 84 L CA 0.491 55.310 54.840 -0.034 0.000 0.749 84 L CB -0.484 41.547 42.059 -0.046 0.000 0.901 84 L HN 0.074 nan 8.230 nan 0.000 0.433 85 L N 0.358 121.557 121.223 -0.039 0.000 2.046 85 L HA -0.133 4.208 4.340 0.001 0.000 0.208 85 L C 2.620 179.469 176.870 -0.035 0.000 1.077 85 L CA 2.010 56.825 54.840 -0.043 0.000 0.747 85 L CB -0.745 41.291 42.059 -0.037 0.000 0.896 85 L HN 0.133 nan 8.230 nan 0.000 0.432 86 A N -0.910 121.895 122.820 -0.026 0.000 1.902 86 A HA -0.292 4.028 4.320 0.001 0.000 0.217 86 A C 2.338 179.908 177.584 -0.023 0.000 1.181 86 A CA 1.848 53.871 52.037 -0.022 0.000 0.623 86 A CB -0.753 18.237 19.000 -0.017 0.000 0.818 86 A HN 0.692 nan 8.150 nan 0.000 0.443 87 Q N -0.635 119.151 119.800 -0.024 0.000 2.084 87 Q HA -0.270 4.070 4.340 0.001 0.000 0.202 87 Q C 2.293 178.277 176.000 -0.027 0.000 0.978 87 Q CA 1.853 57.642 55.803 -0.023 0.000 0.844 87 Q CB -0.246 28.479 28.738 -0.023 0.000 0.898 87 Q HN 0.812 nan 8.270 nan 0.000 0.426 88 Q N -0.059 119.720 119.800 -0.034 0.000 2.030 88 Q HA -0.286 4.054 4.340 0.001 0.000 0.204 88 Q C 2.144 178.123 176.000 -0.034 0.000 0.986 88 Q CA 1.932 57.712 55.803 -0.039 0.000 0.843 88 Q CB -0.084 28.623 28.738 -0.052 0.000 0.904 88 Q HN 0.345 nan 8.270 nan 0.000 0.420 89 Q N 0.037 119.816 119.800 -0.034 0.000 2.124 89 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 89 Q C 1.755 177.743 176.000 -0.021 0.000 0.977 89 Q CA 1.809 57.594 55.803 -0.030 0.000 0.850 89 Q CB -0.423 28.296 28.738 -0.031 0.000 0.901 89 Q HN 0.502 nan 8.270 nan 0.000 0.429 90 A N 0.041 122.849 122.820 -0.020 0.000 1.933 90 A HA -0.180 4.140 4.320 0.001 0.000 0.218 90 A C 2.101 179.680 177.584 -0.010 0.000 1.175 90 A CA 1.649 53.677 52.037 -0.015 0.000 0.628 90 A CB -0.517 18.473 19.000 -0.017 0.000 0.814 90 A HN 0.363 nan 8.150 nan 0.000 0.444 91 R N -0.574 119.919 120.500 -0.011 0.000 2.073 91 R HA -0.032 4.308 4.340 0.001 0.000 0.229 91 R C 1.843 178.146 176.300 0.005 0.000 1.120 91 R CA 1.560 57.657 56.100 -0.004 0.000 0.967 91 R CB -0.551 29.743 30.300 -0.011 0.000 0.862 91 R HN 0.225 nan 8.270 nan 0.000 0.436 92 V N 1.435 121.346 119.914 -0.005 0.000 2.287 92 V HA -0.264 3.856 4.120 0.001 0.000 0.248 92 V C 1.530 177.631 176.094 0.012 0.000 1.053 92 V CA 2.259 64.557 62.300 -0.003 0.000 1.027 92 V CB -0.485 31.325 31.823 -0.023 0.000 0.646 92 V HN 0.400 nan 8.190 nan 0.000 0.447 93 D N -0.540 119.865 120.400 0.008 0.000 2.144 93 D HA -0.184 4.456 4.640 0.001 0.000 0.199 93 D C 2.153 178.486 176.300 0.055 0.000 0.984 93 D CA 1.466 55.480 54.000 0.023 0.000 0.834 93 D CB -0.206 40.599 40.800 0.008 0.000 0.955 93 D HN 0.635 nan 8.370 nan 0.000 0.465 94 E N 0.493 120.717 120.200 0.039 0.000 2.051 94 E HA -0.144 4.206 4.350 0.001 0.000 0.192 94 E C 2.200 178.861 176.600 0.102 0.000 0.991 94 E CA 0.632 57.062 56.400 0.049 0.000 0.799 94 E CB -0.105 29.607 29.700 0.020 0.000 0.748 94 E HN 0.224 nan 8.360 nan 0.000 0.449 95 L N 0.429 121.709 121.223 0.094 0.000 2.141 95 L HA -0.092 4.249 4.340 0.001 0.000 0.209 95 L C 2.963 179.962 176.870 0.216 0.000 1.094 95 L CA 0.910 55.830 54.840 0.132 0.000 0.763 95 L CB -0.425 41.701 42.059 0.111 0.000 0.908 95 L HN 0.163 nan 8.230 nan 0.000 0.437 96 R N -0.671 119.933 120.500 0.174 0.000 2.081 96 R HA -0.221 4.119 4.340 0.001 0.000 0.235 96 R C 2.515 178.958 176.300 0.239 0.000 1.131 96 R CA 1.522 57.732 56.100 0.184 0.000 0.960 96 R CB -0.321 30.005 30.300 0.044 0.000 0.856 96 R HN 0.426 nan 8.270 nan 0.000 0.436 97 H N 0.101 119.234 119.070 0.105 0.000 2.333 97 H HA 0.002 4.558 4.556 0.001 0.000 0.302 97 H C 1.655 177.029 175.328 0.077 0.000 1.075 97 H CA 1.791 57.889 56.048 0.082 0.000 1.348 97 H CB -0.036 29.753 29.762 0.046 0.000 1.393 97 H HN 0.327 nan 8.280 nan 0.000 0.509 98 A N 1.346 124.323 122.820 0.262 0.000 1.902 98 A HA -0.097 4.223 4.320 0.001 0.000 0.217 98 A C 2.179 179.774 177.584 0.019 0.000 1.181 98 A CA 1.498 53.630 52.037 0.158 0.000 0.623 98 A CB -0.074 19.008 19.000 0.136 0.000 0.818 98 A HN 0.257 nan 8.150 nan 0.000 0.443 99 K N -2.326 118.082 120.400 0.012 0.000 2.358 99 K HA 0.256 4.576 4.320 0.001 0.000 0.197 99 K C 0.283 176.584 176.600 -0.500 0.000 1.025 99 K CA 0.406 56.564 56.287 -0.215 0.000 1.104 99 K CB 0.142 32.492 32.500 -0.251 0.000 0.855 99 K HN 0.690 nan 8.250 nan 0.000 0.531 100 Y N 0.303 120.577 120.300 -0.043 0.000 3.266 100 Y HA 0.136 4.687 4.550 0.001 0.000 0.189 100 Y C 2.081 177.929 175.900 -0.086 0.000 0.895 100 Y CA -0.275 57.796 58.100 -0.049 0.000 1.706 100 Y CB 0.223 38.668 38.460 -0.025 0.000 1.449 100 Y HN -0.121 nan 8.280 nan 0.000 0.391 101 E N 0.618 120.861 120.200 0.071 0.000 2.058 101 E HA -0.172 4.178 4.350 0.001 0.000 0.194 101 E C 2.257 178.739 176.600 -0.197 0.000 0.997 101 E CA 1.372 57.735 56.400 -0.062 0.000 0.801 101 E CB -0.496 29.158 29.700 -0.077 0.000 0.746 101 E HN 0.563 nan 8.360 nan 0.000 0.450 102 G N 0.592 109.153 108.800 -0.398 0.000 2.471 102 G HA2 -0.187 3.774 3.960 0.001 0.000 0.219 102 G HA3 -0.187 3.774 3.960 0.001 0.000 0.219 102 G C 1.509 176.318 174.900 -0.152 0.000 1.125 102 G CA 0.432 45.314 45.100 -0.363 0.000 0.775 102 G HN 0.132 nan 8.290 nan 0.000 0.548 103 I N -0.251 120.246 120.570 -0.121 0.000 2.585 103 I HA 0.087 4.257 4.170 0.001 0.000 0.254 103 I C 2.452 178.531 176.117 -0.063 0.000 1.129 103 I CA 0.285 61.533 61.300 -0.085 0.000 1.455 103 I CB -0.031 37.906 38.000 -0.104 0.000 1.111 103 I HN 0.093 nan 8.210 nan 0.000 0.433 104 L N 0.667 121.858 121.223 -0.053 0.000 2.109 104 L HA 0.051 4.392 4.340 0.001 0.000 0.207 104 L C 1.535 178.387 176.870 -0.031 0.000 1.086 104 L CA 0.282 55.101 54.840 -0.034 0.000 0.760 104 L CB -0.706 41.344 42.059 -0.015 0.000 0.910 104 L HN 0.210 nan 8.230 nan 0.000 0.437 105 G N -1.617 107.161 108.800 -0.036 0.000 2.507 105 G HA2 0.387 4.348 3.960 0.001 0.000 0.271 105 G HA3 0.387 4.348 3.960 0.001 0.000 0.271 105 G C 0.895 175.783 174.900 -0.020 0.000 1.189 105 G CA 0.207 45.294 45.100 -0.022 0.000 0.859 105 G HN 0.363 nan 8.290 nan 0.000 0.542 106 G N -0.002 108.794 108.800 -0.008 0.000 2.155 106 G HA2 -0.290 3.670 3.960 0.001 0.000 0.257 106 G HA3 -0.290 3.670 3.960 0.001 0.000 0.257 106 G C 0.396 175.291 174.900 -0.008 0.000 0.983 106 G CA 0.396 45.493 45.100 -0.005 0.000 0.676 106 G HN 0.899 nan 8.290 nan 0.000 0.528 107 N N 0.517 119.210 118.700 -0.012 0.000 2.511 107 N HA 0.395 5.135 4.740 0.001 0.000 0.249 107 N C -0.853 174.651 175.510 -0.010 0.000 0.971 107 N CA -1.618 51.425 53.050 -0.013 0.000 0.938 107 N CB 1.987 40.463 38.487 -0.019 0.000 1.131 107 N HN 0.051 nan 8.380 nan 0.000 0.505 108 P HA -0.041 nan 4.420 nan 0.000 0.231 108 P C 0.531 177.828 177.300 -0.006 0.000 1.158 108 P CA 0.555 63.652 63.100 -0.005 0.000 0.763 108 P CB 0.375 32.074 31.700 -0.003 0.000 0.805 109 A N -0.663 122.151 122.820 -0.009 0.000 2.308 109 A HA 0.267 4.588 4.320 0.001 0.000 0.217 109 A C 1.071 178.647 177.584 -0.012 0.000 1.216 109 A CA 0.017 52.049 52.037 -0.009 0.000 0.864 109 A CB -0.263 18.730 19.000 -0.011 0.000 0.902 109 A HN 0.157 nan 8.150 nan 0.000 0.499 110 I N 0.195 120.756 120.570 -0.015 0.000 2.466 110 I HA 0.280 4.450 4.170 0.001 0.000 0.289 110 I C -0.921 175.184 176.117 -0.021 0.000 1.026 110 I CA -0.302 60.986 61.300 -0.020 0.000 1.078 110 I CB 2.453 40.438 38.000 -0.025 0.000 1.249 110 I HN -0.153 nan 8.210 nan 0.000 0.429 111 T N 5.498 120.037 114.554 -0.025 0.000 2.791 111 T HA 0.393 4.744 4.350 0.001 0.000 0.288 111 T C -0.206 174.463 174.700 -0.052 0.000 0.999 111 T CA -0.398 61.685 62.100 -0.028 0.000 0.952 111 T CB 1.541 70.398 68.868 -0.018 0.000 0.938 111 T HN 0.140 nan 8.240 nan 0.000 0.444 112 V N 4.585 124.456 119.914 -0.072 0.000 2.465 112 V HA 0.426 4.546 4.120 0.001 0.000 0.279 112 V C 0.009 175.989 176.094 -0.189 0.000 1.045 112 V CA -0.551 61.661 62.300 -0.146 0.000 0.938 112 V CB 1.521 33.239 31.823 -0.175 0.000 0.986 112 V HN 0.654 nan 8.190 nan 0.000 0.467 113 V N 4.820 124.602 119.914 -0.220 0.000 2.409 113 V HA 0.381 4.501 4.120 0.001 0.000 0.291 113 V C -0.268 175.679 176.094 -0.245 0.000 1.020 113 V CA -0.765 61.435 62.300 -0.167 0.000 0.848 113 V CB 1.485 33.260 31.823 -0.080 0.000 0.990 113 V HN 0.799 nan 8.190 nan 0.000 0.430 114 H N 4.120 123.183 119.070 -0.011 0.000 2.872 114 H HA 0.660 5.217 4.556 0.001 0.000 0.273 114 H C 0.488 175.808 175.328 -0.014 0.000 1.205 114 H CA 0.538 56.578 56.048 -0.013 0.000 1.342 114 H CB 1.320 31.076 29.762 -0.010 0.000 1.469 114 H HN 0.929 nan 8.280 nan 0.000 0.487 115 G N 1.830 110.660 108.800 0.050 0.000 2.441 115 G HA2 0.118 4.078 3.960 0.001 0.000 0.294 115 G HA3 0.118 4.078 3.960 0.001 0.000 0.294 115 G C -1.488 173.412 174.900 -0.001 0.000 1.393 115 G CA -0.865 44.251 45.100 0.027 0.000 0.796 115 G HN 0.392 nan 8.290 nan 0.000 0.494 116 E N -0.146 120.051 120.200 -0.005 0.000 2.134 116 E HA 0.622 4.973 4.350 0.001 0.000 0.278 116 E C 0.168 176.748 176.600 -0.033 0.000 0.959 116 E CA -0.622 55.768 56.400 -0.017 0.000 0.783 116 E CB 1.317 31.014 29.700 -0.006 0.000 1.095 116 E HN 0.789 nan 8.360 nan 0.000 0.399 117 A N 4.743 127.527 122.820 -0.060 0.000 2.295 117 A HA 0.726 5.047 4.320 0.001 0.000 0.318 117 A C -0.491 177.027 177.584 -0.111 0.000 1.134 117 A CA -0.656 51.321 52.037 -0.100 0.000 0.827 117 A CB 0.716 19.623 19.000 -0.155 0.000 1.136 117 A HN 0.823 nan 8.150 nan 0.000 0.493 118 R N 0.189 120.610 120.500 -0.131 0.000 2.680 118 R HA 0.620 4.961 4.340 0.001 0.000 0.269 118 R C -1.868 174.358 176.300 -0.123 0.000 1.026 118 R CA -0.723 55.328 56.100 -0.081 0.000 0.889 118 R CB 0.744 31.054 30.300 0.015 0.000 1.241 118 R HN 0.364 nan 8.270 nan 0.000 0.463 119 F N 1.548 121.538 119.950 0.068 0.000 2.429 119 F HA 0.256 4.783 4.527 0.001 0.000 0.348 119 F C 1.747 177.588 175.800 0.068 0.000 1.109 119 F CA 0.052 58.110 58.000 0.097 0.000 1.232 119 F CB 1.503 40.565 39.000 0.103 0.000 1.157 119 F HN 0.721 nan 8.300 nan 0.000 0.564 120 K N 0.412 120.952 120.400 0.232 0.000 2.214 120 K HA 0.070 4.390 4.320 0.001 0.000 0.201 120 K C -0.573 176.104 176.600 0.128 0.000 1.049 120 K CA 0.871 57.236 56.287 0.129 0.000 0.978 120 K CB 0.319 32.861 32.500 0.069 0.000 0.842 120 K HN 0.850 nan 8.250 nan 0.000 0.474 121 D N -1.394 119.106 120.400 0.165 0.000 2.851 121 D HA -0.043 4.597 4.640 0.001 0.000 0.339 121 D C -0.569 175.825 176.300 0.157 0.000 1.347 121 D CA -0.483 53.581 54.000 0.106 0.000 0.888 121 D CB -0.073 40.744 40.800 0.028 0.000 1.431 121 D HN -0.002 nan 8.370 nan 0.000 0.509 122 D N -1.189 119.251 120.400 0.068 0.000 2.324 122 D HA -0.022 4.618 4.640 0.001 0.000 0.235 122 D C 0.313 176.632 176.300 0.031 0.000 1.095 122 D CA 0.440 54.502 54.000 0.104 0.000 0.871 122 D CB 0.021 40.843 40.800 0.036 0.000 0.906 122 D HN 0.296 nan 8.370 nan 0.000 0.522 123 Q N -0.337 119.307 119.800 -0.259 0.000 2.073 123 Q HA 0.168 4.508 4.340 0.001 0.000 0.215 123 Q C -0.405 174.883 176.000 -1.187 0.000 0.776 123 Q CA 0.028 55.338 55.803 -0.821 0.000 1.008 123 Q CB 1.326 29.839 28.738 -0.375 0.000 1.196 123 Q HN 0.365 nan 8.270 nan 0.000 0.458 124 S N -0.745 114.572 115.700 -0.639 0.000 2.565 124 S HA 0.747 5.217 4.470 0.001 0.000 0.269 124 S C -0.960 173.729 174.600 0.148 0.000 1.153 124 S CA -0.799 57.260 58.200 -0.235 0.000 0.835 124 S CB 1.529 64.648 63.200 -0.136 0.000 1.122 124 S HN 0.087 nan 8.310 nan 0.000 0.462 125 L N 0.927 122.230 121.223 0.132 0.000 2.341 125 L HA 0.728 5.068 4.340 0.001 0.000 0.267 125 L C -0.481 176.390 176.870 0.002 0.000 1.009 125 L CA -0.771 54.082 54.840 0.021 0.000 0.819 125 L CB 2.540 44.555 42.059 -0.074 0.000 1.323 125 L HN 0.755 nan 8.230 nan 0.000 0.425 126 T N 1.411 115.954 114.554 -0.019 0.000 2.779 126 T HA 0.526 4.877 4.350 0.001 0.000 0.280 126 T C -0.469 174.216 174.700 -0.024 0.000 0.987 126 T CA -0.372 61.724 62.100 -0.008 0.000 0.966 126 T CB 1.687 70.559 68.868 0.007 0.000 0.933 126 T HN 0.192 nan 8.240 nan 0.000 0.442 127 V N 4.760 124.663 119.914 -0.018 0.000 2.417 127 V HA 0.435 4.555 4.120 0.001 0.000 0.291 127 V C 0.244 176.334 176.094 -0.008 0.000 1.024 127 V CA -1.016 61.272 62.300 -0.021 0.000 0.861 127 V CB 1.471 33.280 31.823 -0.024 0.000 0.985 127 V HN 0.731 nan 8.190 nan 0.000 0.436 128 R N 4.846 125.342 120.500 -0.006 0.000 2.220 128 R HA 0.467 4.807 4.340 0.001 0.000 0.340 128 R C -0.666 175.639 176.300 0.007 0.000 1.076 128 R CA -0.339 55.762 56.100 0.002 0.000 0.920 128 R CB 0.448 30.750 30.300 0.003 0.000 1.062 128 R HN 0.597 nan 8.270 nan 0.000 0.469 129 L N 2.806 124.036 121.223 0.012 0.000 2.456 129 L HA 0.011 4.352 4.340 0.001 0.000 0.272 129 L C 1.277 178.162 176.870 0.025 0.000 1.189 129 L CA -0.338 54.515 54.840 0.023 0.000 0.846 129 L CB 0.441 42.514 42.059 0.023 0.000 1.111 129 L HN 0.560 nan 8.230 nan 0.000 0.475 130 N N 1.173 119.896 118.700 0.038 0.000 2.289 130 N HA -0.144 4.596 4.740 0.001 0.000 0.184 130 N C 0.919 176.436 175.510 0.012 0.000 1.016 130 N CA 1.155 54.221 53.050 0.026 0.000 0.872 130 N CB 0.045 38.552 38.487 0.034 0.000 0.973 130 N HN 0.584 nan 8.380 nan 0.000 0.433 131 E N -0.048 120.161 120.200 0.015 0.000 2.437 131 E HA 0.273 4.623 4.350 0.001 0.000 0.189 131 E C 0.284 176.888 176.600 0.006 0.000 1.054 131 E CA -0.161 56.242 56.400 0.006 0.000 0.874 131 E CB 0.127 29.831 29.700 0.006 0.000 1.011 131 E HN 0.280 nan 8.360 nan 0.000 0.474 132 G N 0.030 108.835 108.800 0.009 0.000 2.650 132 G HA2 0.172 4.133 3.960 0.001 0.000 0.686 132 G HA3 0.172 4.133 3.960 0.001 0.000 0.686 132 G C 0.217 175.122 174.900 0.008 0.000 1.205 132 G CA -0.623 44.481 45.100 0.007 0.000 0.781 132 G HN 0.565 nan 8.290 nan 0.000 0.648 133 G N 0.079 108.883 108.800 0.007 0.000 2.741 133 G HA2 0.316 4.277 3.960 0.001 0.000 0.222 133 G HA3 0.316 4.277 3.960 0.001 0.000 0.222 133 G C -0.256 174.648 174.900 0.007 0.000 1.364 133 G CA 0.778 45.882 45.100 0.007 0.000 0.866 133 G HN 1.573 nan 8.290 nan 0.000 0.555 134 E N -0.808 119.396 120.200 0.006 0.000 2.445 134 E HA 0.767 5.118 4.350 0.001 0.000 0.273 134 E C 0.017 176.620 176.600 0.005 0.000 0.961 134 E CA -1.047 55.356 56.400 0.005 0.000 0.807 134 E CB 2.433 32.136 29.700 0.005 0.000 1.362 134 E HN 0.649 nan 8.360 nan 0.000 0.453 135 R N 0.664 121.166 120.500 0.003 0.000 2.643 135 R HA 0.420 4.761 4.340 0.001 0.000 0.269 135 R C -1.909 174.393 176.300 0.002 0.000 1.037 135 R CA -0.493 55.608 56.100 0.003 0.000 0.894 135 R CB 1.935 32.237 30.300 0.003 0.000 1.238 135 R HN 0.337 nan 8.270 nan 0.000 0.459 136 V N 3.379 123.295 119.914 0.004 0.000 2.472 136 V HA 0.434 4.555 4.120 0.001 0.000 0.290 136 V C -0.328 175.773 176.094 0.013 0.000 1.037 136 V CA -0.647 61.656 62.300 0.006 0.000 0.908 136 V CB 1.796 33.620 31.823 0.001 0.000 0.985 136 V HN 0.466 nan 8.190 nan 0.000 0.454 137 V N 6.134 126.065 119.914 0.029 0.000 2.326 137 V HA 0.419 4.539 4.120 0.001 0.000 0.281 137 V C 0.067 176.217 176.094 0.092 0.000 1.015 137 V CA -0.368 61.968 62.300 0.060 0.000 0.823 137 V CB 1.313 33.178 31.823 0.070 0.000 1.009 137 V HN 0.816 nan 8.190 nan 0.000 0.436 138 M N 6.090 125.716 119.600 0.042 0.000 2.274 138 M HA 0.651 5.131 4.480 0.001 0.000 0.344 138 M C -0.589 175.753 176.300 0.070 0.000 1.161 138 M CA -0.046 55.231 55.300 -0.038 0.000 1.126 138 M CB 1.027 33.595 32.600 -0.052 0.000 1.522 138 M HN 0.704 nan 8.290 nan 0.000 0.461 139 F N -1.119 118.850 119.950 0.031 0.000 2.645 139 F HA 0.500 5.028 4.527 0.001 0.000 0.310 139 F C -0.392 175.437 175.800 0.049 0.000 1.102 139 F CA -1.154 56.868 58.000 0.037 0.000 0.952 139 F CB 0.791 39.817 39.000 0.044 0.000 1.326 139 F HN 0.437 nan 8.300 nan 0.000 0.456 140 D N 0.072 120.678 120.400 0.343 0.000 2.262 140 D HA 0.121 4.762 4.640 0.001 0.000 0.212 140 D C 0.242 176.782 176.300 0.400 0.000 0.964 140 D CA 1.044 55.188 54.000 0.242 0.000 0.875 140 D CB 0.337 41.221 40.800 0.141 0.000 0.996 140 D HN 0.250 nan 8.370 nan 0.000 0.497 141 R N -0.239 120.510 120.500 0.416 0.000 2.725 141 R HA 0.445 4.786 4.340 0.001 0.000 0.277 141 R C -1.126 175.150 176.300 -0.039 0.000 0.987 141 R CA -0.572 55.687 56.100 0.265 0.000 0.901 141 R CB 1.930 32.300 30.300 0.116 0.000 1.207 141 R HN 0.042 nan 8.270 nan 0.000 0.463 142 C N 3.175 122.331 119.300 -0.240 0.000 2.626 142 C HA 0.678 5.139 4.460 0.001 0.000 0.310 142 C C -1.167 173.756 174.990 -0.112 0.000 1.191 142 C CA -0.777 57.939 59.018 -0.504 0.000 1.517 142 C CB 1.106 28.116 27.740 -1.217 0.000 2.102 142 C HN 0.766 nan 8.230 nan 0.000 0.479 143 L N 6.433 127.598 121.223 -0.095 0.000 2.305 143 L HA 0.746 5.086 4.340 0.001 0.000 0.284 143 L C -0.748 176.129 176.870 0.012 0.000 1.013 143 L CA -0.038 54.809 54.840 0.012 0.000 0.819 143 L CB 1.718 43.768 42.059 -0.016 0.000 1.227 143 L HN 0.563 nan 8.230 nan 0.000 0.417 144 V N 5.326 125.284 119.914 0.073 0.000 2.364 144 V HA 0.709 4.829 4.120 0.001 0.000 0.272 144 V C 0.574 176.696 176.094 0.047 0.000 1.036 144 V CA 0.125 62.469 62.300 0.074 0.000 0.880 144 V CB 0.862 32.771 31.823 0.144 0.000 0.991 144 V HN 0.935 nan 8.190 nan 0.000 0.460 145 A N 2.865 125.698 122.820 0.022 0.000 3.308 145 A HA 0.427 4.747 4.320 0.001 0.000 0.275 145 A C 0.981 178.570 177.584 0.009 0.000 0.950 145 A CA 0.218 52.265 52.037 0.018 0.000 0.987 145 A CB 0.262 19.271 19.000 0.014 0.000 1.146 145 A HN 0.821 nan 8.150 nan 0.000 0.488 146 T N -2.583 111.978 114.554 0.012 0.000 3.129 146 T HA 0.430 4.781 4.350 0.001 0.000 0.251 146 T C 1.332 176.032 174.700 0.000 0.000 1.117 146 T CA 0.974 63.077 62.100 0.005 0.000 1.034 146 T CB -0.322 68.554 68.868 0.013 0.000 0.968 146 T HN 2.050 nan 8.240 nan 0.000 0.526 147 G N 1.470 110.270 108.800 -0.001 0.000 2.601 147 G HA2 0.197 4.158 3.960 0.001 0.000 0.261 147 G HA3 0.197 4.158 3.960 0.001 0.000 0.261 147 G C -0.045 174.847 174.900 -0.012 0.000 1.289 147 G CA -0.169 44.924 45.100 -0.010 0.000 0.920 147 G HN 1.420 nan 8.290 nan 0.000 0.571 148 A N -1.859 120.949 122.820 -0.019 0.000 2.530 148 A HA 0.978 5.299 4.320 0.001 0.000 0.288 148 A C -0.070 177.505 177.584 -0.015 0.000 1.172 148 A CA 0.730 52.756 52.037 -0.018 0.000 0.733 148 A CB 1.561 20.544 19.000 -0.030 0.000 1.320 148 A HN 1.956 nan 8.150 nan 0.000 0.419 149 S N 0.127 115.821 115.700 -0.009 0.000 2.595 149 S HA 0.722 5.192 4.470 0.001 0.000 0.281 149 S C -2.958 171.643 174.600 0.003 0.000 1.117 149 S CA -1.042 57.158 58.200 -0.001 0.000 0.873 149 S CB 1.792 64.996 63.200 0.008 0.000 1.108 149 S HN 0.493 nan 8.310 nan 0.000 0.477 150 P HA 0.229 nan 4.420 nan 0.000 0.264 150 P C -1.164 176.148 177.300 0.020 0.000 1.193 150 P CA 0.040 63.153 63.100 0.021 0.000 0.763 150 P CB 0.240 31.970 31.700 0.050 0.000 0.810 151 A N 3.424 126.244 122.820 -0.001 0.000 2.340 151 A HA 0.477 4.797 4.320 0.001 0.000 0.268 151 A C -0.433 177.136 177.584 -0.025 0.000 1.100 151 A CA -0.212 51.818 52.037 -0.012 0.000 0.803 151 A CB 0.342 19.327 19.000 -0.025 0.000 1.043 151 A HN 0.375 nan 8.150 nan 0.000 0.488 152 V N 4.933 124.826 119.914 -0.036 0.000 2.447 152 V HA 0.357 4.477 4.120 0.001 0.000 0.292 152 V C -2.053 173.987 176.094 -0.090 0.000 1.021 152 V CA -1.080 61.165 62.300 -0.092 0.000 0.850 152 V CB 1.318 33.097 31.823 -0.073 0.000 1.005 152 V HN 0.971 nan 8.190 nan 0.000 0.426 153 P HA 0.276 nan 4.420 nan 0.000 0.272 153 P C -2.395 174.858 177.300 -0.079 0.000 1.223 153 P CA -1.363 61.688 63.100 -0.082 0.000 0.784 153 P CB 0.597 32.246 31.700 -0.085 0.000 0.923 154 P HA 0.198 nan 4.420 nan 0.000 0.237 154 P C 0.175 177.454 177.300 -0.034 0.000 1.723 154 P CA -0.061 63.018 63.100 -0.036 0.000 0.882 154 P CB -0.358 31.329 31.700 -0.022 0.000 1.810 155 I N 1.795 122.335 120.570 -0.050 0.000 2.533 155 I HA 0.082 4.252 4.170 0.001 0.000 0.284 155 I C -1.819 174.286 176.117 -0.020 0.000 1.109 155 I CA -2.194 59.083 61.300 -0.038 0.000 1.412 155 I CB 0.040 38.008 38.000 -0.054 0.000 1.396 155 I HN -0.141 nan 8.210 nan 0.000 0.543 156 P HA -0.026 nan 4.420 nan 0.000 0.261 156 P C 0.828 178.140 177.300 0.019 0.000 1.183 156 P CA 0.870 63.974 63.100 0.006 0.000 0.761 156 P CB 0.518 32.222 31.700 0.006 0.000 0.785 157 G N 2.324 111.142 108.800 0.029 0.000 2.225 157 G HA2 -0.338 3.622 3.960 0.001 0.000 0.254 157 G HA3 -0.338 3.622 3.960 0.001 0.000 0.254 157 G C 0.709 175.656 174.900 0.079 0.000 0.988 157 G CA 0.352 45.483 45.100 0.051 0.000 0.625 157 G HN 0.550 nan 8.290 nan 0.000 0.527 158 L N 0.781 122.034 121.223 0.049 0.000 2.044 158 L HA 0.332 4.673 4.340 0.001 0.000 0.205 158 L C 2.639 179.579 176.870 0.117 0.000 1.075 158 L CA 3.020 57.885 54.840 0.041 0.000 0.747 158 L CB -0.688 41.305 42.059 -0.110 0.000 0.903 158 L HN 0.325 nan 8.230 nan 0.000 0.435 159 K N -0.049 120.402 120.400 0.086 0.000 2.077 159 K HA -0.218 4.103 4.320 0.001 0.000 0.213 159 K C 1.689 178.421 176.600 0.220 0.000 1.051 159 K CA 2.059 58.444 56.287 0.163 0.000 0.929 159 K CB -0.325 32.227 32.500 0.087 0.000 0.715 159 K HN 0.525 nan 8.250 nan 0.000 0.451 160 E N 0.739 121.024 120.200 0.142 0.000 2.489 160 E HA -0.019 4.332 4.350 0.001 0.000 0.193 160 E C 0.248 176.900 176.600 0.087 0.000 1.057 160 E CA 0.120 56.578 56.400 0.096 0.000 0.866 160 E CB 0.028 29.760 29.700 0.053 0.000 0.916 160 E HN 0.187 nan 8.360 nan 0.000 0.500 161 S N 2.071 117.878 115.700 0.178 0.000 2.617 161 S HA 0.314 4.785 4.470 0.001 0.000 0.269 161 S C -1.975 172.704 174.600 0.131 0.000 1.292 161 S CA -1.296 56.990 58.200 0.144 0.000 1.010 161 S CB 1.301 64.698 63.200 0.330 0.000 0.944 161 S HN -0.093 nan 8.310 nan 0.000 0.536 162 P HA 0.168 nan 4.420 nan 0.000 0.220 162 P C -0.611 176.812 177.300 0.206 0.000 1.778 162 P CA -0.380 62.682 63.100 -0.064 0.000 0.912 162 P CB -1.142 30.392 31.700 -0.276 0.000 1.861 163 Y N -1.348 119.111 120.300 0.264 0.000 2.281 163 Y HA 0.524 5.075 4.550 0.001 0.000 0.337 163 Y C -0.132 175.884 175.900 0.194 0.000 1.304 163 Y CA -1.025 57.141 58.100 0.110 0.000 1.465 163 Y CB 0.190 38.665 38.460 0.025 0.000 1.350 163 Y HN -0.040 nan 8.280 nan 0.000 0.575 164 W N 0.964 122.332 121.300 0.113 0.000 2.639 164 W HA 0.542 5.202 4.660 0.001 0.000 0.347 164 W C -0.366 176.244 176.519 0.151 0.000 1.067 164 W CA -1.061 56.305 57.345 0.035 0.000 1.218 164 W CB 1.721 31.160 29.460 -0.036 0.000 1.393 164 W HN 0.817 nan 8.180 nan 0.000 0.557 165 T N -2.380 112.348 114.554 0.289 0.000 2.919 165 T HA 0.325 4.676 4.350 0.001 0.000 0.282 165 T C 1.191 175.946 174.700 0.093 0.000 1.020 165 T CA -0.003 62.213 62.100 0.194 0.000 0.994 165 T CB 1.176 70.132 68.868 0.147 0.000 1.180 165 T HN 0.315 nan 8.240 nan 0.000 0.566 166 S N 0.009 115.744 115.700 0.058 0.000 2.402 166 S HA -0.167 4.303 4.470 0.001 0.000 0.233 166 S C 1.877 176.455 174.600 -0.038 0.000 1.030 166 S CA 1.765 59.980 58.200 0.026 0.000 1.003 166 S CB -1.614 61.605 63.200 0.031 0.000 0.813 166 S HN 0.799 nan 8.310 nan 0.000 0.477 167 T N 2.352 116.878 114.554 -0.047 0.000 2.674 167 T HA -0.046 4.304 4.350 0.001 0.000 0.265 167 T C 1.744 176.336 174.700 -0.179 0.000 1.039 167 T CA 1.780 63.827 62.100 -0.087 0.000 1.150 167 T CB -0.459 68.373 68.868 -0.060 0.000 0.864 167 T HN 0.499 nan 8.240 nan 0.000 0.427 168 E N 1.297 121.353 120.200 -0.241 0.000 2.150 168 E HA 0.081 4.431 4.350 0.001 0.000 0.193 168 E C 2.316 178.353 176.600 -0.938 0.000 0.985 168 E CA 0.951 57.064 56.400 -0.480 0.000 0.814 168 E CB -0.490 28.956 29.700 -0.424 0.000 0.752 168 E HN 0.485 nan 8.360 nan 0.000 0.466 169 A N 0.586 122.904 122.820 -0.836 0.000 1.877 169 A HA -0.140 4.180 4.320 0.001 0.000 0.216 169 A C 2.152 179.551 177.584 -0.309 0.000 1.186 169 A CA 1.154 52.671 52.037 -0.867 0.000 0.620 169 A CB -0.694 18.200 19.000 -0.178 0.000 0.822 169 A HN 0.219 nan 8.150 nan 0.000 0.443 170 L N -1.010 120.111 121.223 -0.171 0.000 2.201 170 L HA -0.120 4.220 4.340 0.001 0.000 0.212 170 L C 2.647 179.432 176.870 -0.141 0.000 1.105 170 L CA 0.869 55.647 54.840 -0.103 0.000 0.775 170 L CB -0.268 41.747 42.059 -0.073 0.000 0.913 170 L HN 0.440 nan 8.230 nan 0.000 0.440 171 A N -1.464 121.235 122.820 -0.202 0.000 2.275 171 A HA 0.060 4.380 4.320 0.001 0.000 0.212 171 A C 1.235 178.727 177.584 -0.155 0.000 1.201 171 A CA -0.018 51.923 52.037 -0.159 0.000 0.843 171 A CB -0.061 18.850 19.000 -0.148 0.000 0.873 171 A HN 0.220 nan 8.150 nan 0.000 0.492 172 S N 1.100 116.667 115.700 -0.221 0.000 2.549 172 S HA 0.166 4.636 4.470 0.001 0.000 0.283 172 S C 0.763 175.368 174.600 0.008 0.000 1.320 172 S CA 0.196 58.335 58.200 -0.102 0.000 1.058 172 S CB 0.390 63.522 63.200 -0.115 0.000 0.882 172 S HN 0.528 nan 8.310 nan 0.000 0.498 173 D N 2.080 122.512 120.400 0.053 0.000 2.340 173 D HA 0.091 4.731 4.640 0.001 0.000 0.217 173 D C 0.457 176.806 176.300 0.083 0.000 1.081 173 D CA -0.017 54.011 54.000 0.047 0.000 0.842 173 D CB -0.221 40.600 40.800 0.034 0.000 0.934 173 D HN 0.485 nan 8.370 nan 0.000 0.511 174 T N -2.176 112.467 114.554 0.149 0.000 2.909 174 T HA 0.524 4.874 4.350 0.001 0.000 0.299 174 T C -0.493 174.366 174.700 0.266 0.000 1.073 174 T CA -1.037 61.165 62.100 0.170 0.000 0.999 174 T CB 1.727 70.694 68.868 0.166 0.000 1.098 174 T HN -0.095 nan 8.240 nan 0.000 0.477 175 I N 4.012 124.714 120.570 0.220 0.000 2.312 175 I HA 0.340 4.510 4.170 0.001 0.000 0.291 175 I C -1.782 174.489 176.117 0.257 0.000 1.031 175 I CA -2.620 58.859 61.300 0.298 0.000 1.293 175 I CB 0.745 38.854 38.000 0.182 0.000 1.403 175 I HN 0.583 nan 8.210 nan 0.000 0.484 176 P HA 0.091 nan 4.420 nan 0.000 0.271 176 P C 0.595 177.953 177.300 0.096 0.000 1.216 176 P CA -0.136 63.042 63.100 0.132 0.000 0.776 176 P CB 1.434 33.139 31.700 0.008 0.000 0.881 177 E N 2.626 122.862 120.200 0.060 0.000 2.077 177 E HA -0.158 4.193 4.350 0.001 0.000 0.193 177 E C 0.045 176.662 176.600 0.030 0.000 0.989 177 E CA 0.984 57.412 56.400 0.046 0.000 0.800 177 E CB 0.233 29.953 29.700 0.033 0.000 0.746 177 E HN 0.424 nan 8.360 nan 0.000 0.452 178 R N 0.166 120.669 120.500 0.004 0.000 2.532 178 R HA 0.438 4.778 4.340 0.001 0.000 0.297 178 R C -1.566 174.689 176.300 -0.075 0.000 0.984 178 R CA -0.765 55.323 56.100 -0.020 0.000 0.884 178 R CB 1.978 32.268 30.300 -0.017 0.000 1.182 178 R HN 0.003 nan 8.270 nan 0.000 0.442 179 L N 2.133 123.300 121.223 -0.093 0.000 2.376 179 L HA 0.726 5.066 4.340 0.001 0.000 0.275 179 L C -1.057 175.717 176.870 -0.161 0.000 0.987 179 L CA -0.324 54.404 54.840 -0.186 0.000 0.828 179 L CB 1.874 43.805 42.059 -0.214 0.000 1.249 179 L HN 0.804 nan 8.230 nan 0.000 0.409 180 A N 4.823 127.515 122.820 -0.214 0.000 2.305 180 A HA 0.808 5.128 4.320 0.001 0.000 0.322 180 A C -1.153 176.321 177.584 -0.184 0.000 1.187 180 A CA -0.514 51.420 52.037 -0.172 0.000 0.825 180 A CB 1.268 20.160 19.000 -0.180 0.000 1.164 180 A HN 0.545 nan 8.150 nan 0.000 0.498 181 V N 3.967 123.811 119.914 -0.117 0.000 2.483 181 V HA 0.339 4.459 4.120 0.001 0.000 0.297 181 V C -0.421 175.627 176.094 -0.077 0.000 1.027 181 V CA -0.155 62.092 62.300 -0.089 0.000 0.855 181 V CB 1.409 33.212 31.823 -0.035 0.000 0.995 181 V HN 0.768 nan 8.190 nan 0.000 0.424 182 I N 4.655 125.172 120.570 -0.089 0.000 2.312 182 I HA 0.780 4.951 4.170 0.001 0.000 0.290 182 I C 0.718 176.793 176.117 -0.070 0.000 1.008 182 I CA 0.206 61.455 61.300 -0.085 0.000 1.226 182 I CB 1.326 39.262 38.000 -0.107 0.000 1.371 182 I HN 0.887 nan 8.210 nan 0.000 0.468 183 G N 3.772 112.532 108.800 -0.067 0.000 2.362 183 G HA2 0.004 3.964 3.960 0.001 0.000 0.656 183 G HA3 0.004 3.964 3.960 0.001 0.000 0.656 183 G C -0.287 174.574 174.900 -0.065 0.000 1.376 183 G CA -0.210 44.850 45.100 -0.067 0.000 0.971 183 G HN 0.650 nan 8.290 nan 0.000 0.636 184 S N -1.563 114.083 115.700 -0.090 0.000 2.937 184 S HA 0.551 5.022 4.470 0.001 0.000 0.252 184 S C 0.955 175.443 174.600 -0.188 0.000 1.022 184 S CA 0.866 58.994 58.200 -0.121 0.000 1.079 184 S CB -0.031 63.089 63.200 -0.134 0.000 1.035 184 S HN 2.186 nan 8.310 nan 0.000 0.594 185 S N 0.769 116.387 115.700 -0.137 0.000 2.596 185 S HA 0.366 4.837 4.470 0.001 0.000 0.260 185 S C 1.437 175.945 174.600 -0.153 0.000 1.336 185 S CA -0.275 57.834 58.200 -0.151 0.000 0.993 185 S CB 0.427 63.575 63.200 -0.087 0.000 0.923 185 S HN 0.113 nan 8.310 nan 0.000 0.567 186 V N 1.432 121.264 119.914 -0.136 0.000 2.332 186 V HA -0.169 3.952 4.120 0.001 0.000 0.248 186 V C 2.546 178.672 176.094 0.053 0.000 1.055 186 V CA 1.991 64.271 62.300 -0.034 0.000 1.038 186 V CB -0.978 30.877 31.823 0.053 0.000 0.651 186 V HN 0.785 nan 8.190 nan 0.000 0.450 187 V N 0.145 120.080 119.914 0.036 0.000 2.343 187 V HA -0.276 3.845 4.120 0.001 0.000 0.247 187 V C 2.693 178.836 176.094 0.082 0.000 1.051 187 V CA 2.059 64.398 62.300 0.066 0.000 1.036 187 V CB -1.143 30.702 31.823 0.037 0.000 0.654 187 V HN 0.576 nan 8.190 nan 0.000 0.451 188 A N -0.140 122.708 122.820 0.048 0.000 1.883 188 A HA -0.170 4.150 4.320 0.001 0.000 0.217 188 A C 2.195 179.856 177.584 0.127 0.000 1.186 188 A CA 1.960 54.034 52.037 0.062 0.000 0.624 188 A CB -0.530 18.478 19.000 0.013 0.000 0.822 188 A HN 0.519 nan 8.150 nan 0.000 0.444 189 L N -1.062 120.247 121.223 0.144 0.000 2.109 189 L HA -0.143 4.197 4.340 0.001 0.000 0.207 189 L C 2.571 179.657 176.870 0.361 0.000 1.086 189 L CA 1.372 56.398 54.840 0.311 0.000 0.760 189 L CB -0.718 41.482 42.059 0.235 0.000 0.910 189 L HN 0.456 nan 8.230 nan 0.000 0.437 190 E N 0.485 120.844 120.200 0.265 0.000 2.077 190 E HA -0.198 4.153 4.350 0.001 0.000 0.193 190 E C 2.355 179.077 176.600 0.204 0.000 0.989 190 E CA 1.117 57.667 56.400 0.250 0.000 0.800 190 E CB -0.090 29.749 29.700 0.231 0.000 0.746 190 E HN 0.459 nan 8.360 nan 0.000 0.452 191 L N 0.380 121.727 121.223 0.206 0.000 2.109 191 L HA -0.098 4.242 4.340 0.001 0.000 0.207 191 L C 2.599 179.657 176.870 0.313 0.000 1.086 191 L CA 0.665 55.669 54.840 0.272 0.000 0.760 191 L CB -0.480 41.747 42.059 0.279 0.000 0.910 191 L HN 0.130 nan 8.230 nan 0.000 0.437 192 A N -0.144 122.796 122.820 0.200 0.000 1.883 192 A HA -0.306 4.014 4.320 0.001 0.000 0.217 192 A C 2.267 179.850 177.584 -0.002 0.000 1.186 192 A CA 2.055 54.162 52.037 0.116 0.000 0.624 192 A CB -0.607 18.465 19.000 0.120 0.000 0.822 192 A HN 0.472 nan 8.150 nan 0.000 0.444 193 Q N -0.896 118.829 119.800 -0.125 0.000 2.119 193 Q HA -0.037 4.303 4.340 0.001 0.000 0.201 193 Q C 2.175 178.126 176.000 -0.081 0.000 0.972 193 Q CA 1.235 56.864 55.803 -0.289 0.000 0.847 193 Q CB -0.304 28.220 28.738 -0.357 0.000 0.903 193 Q HN 0.622 nan 8.270 nan 0.000 0.433 194 A N 0.057 122.890 122.820 0.022 0.000 1.877 194 A HA -0.164 4.156 4.320 0.001 0.000 0.216 194 A C 1.722 179.277 177.584 -0.049 0.000 1.186 194 A CA 1.189 53.215 52.037 -0.018 0.000 0.620 194 A CB -0.922 18.055 19.000 -0.039 0.000 0.822 194 A HN 0.476 nan 8.150 nan 0.000 0.443 195 F N 0.169 120.124 119.950 0.009 0.000 2.171 195 F HA -0.083 4.445 4.527 0.000 0.000 0.300 195 F C 2.779 178.582 175.800 0.006 0.000 1.090 195 F CA 1.043 59.062 58.000 0.031 0.000 1.293 195 F CB -0.328 38.715 39.000 0.072 0.000 1.013 195 F HN 0.267 nan 8.300 nan 0.000 0.486 196 A N 0.276 123.178 122.820 0.136 0.000 1.877 196 A HA -0.204 4.117 4.320 0.001 0.000 0.216 196 A C 2.257 179.860 177.584 0.032 0.000 1.186 196 A CA 1.646 53.710 52.037 0.045 0.000 0.620 196 A CB -0.658 18.305 19.000 -0.061 0.000 0.822 196 A HN 0.314 nan 8.150 nan 0.000 0.443 197 R N -0.726 119.777 120.500 0.004 0.000 2.148 197 R HA 0.057 4.397 4.340 0.001 0.000 0.227 197 R C 1.413 177.730 176.300 0.030 0.000 1.103 197 R CA 1.013 57.130 56.100 0.029 0.000 0.983 197 R CB -0.341 29.963 30.300 0.006 0.000 0.874 197 R HN 0.482 nan 8.270 nan 0.000 0.451 198 L N -0.846 120.380 121.223 0.005 0.000 2.591 198 L HA 0.166 4.507 4.340 0.001 0.000 0.228 198 L C 1.174 178.064 176.870 0.032 0.000 1.133 198 L CA 0.450 55.285 54.840 -0.009 0.000 0.880 198 L CB 0.518 42.522 42.059 -0.091 0.000 1.033 198 L HN 0.483 nan 8.230 nan 0.000 0.450 199 G N -1.642 107.192 108.800 0.058 0.000 2.421 199 G HA2 -0.200 3.760 3.960 0.001 0.000 0.188 199 G HA3 -0.200 3.760 3.960 0.001 0.000 0.188 199 G C 0.275 175.227 174.900 0.087 0.000 1.001 199 G CA -0.204 44.937 45.100 0.067 0.000 0.693 199 G HN 0.203 nan 8.290 nan 0.000 0.479 200 S N 0.722 116.499 115.700 0.129 0.000 2.580 200 S HA 0.474 4.944 4.470 0.001 0.000 0.274 200 S C 0.240 174.882 174.600 0.070 0.000 1.329 200 S CA -0.136 58.137 58.200 0.122 0.000 1.036 200 S CB 1.701 65.018 63.200 0.194 0.000 0.919 200 S HN 0.480 nan 8.310 nan 0.000 0.515 201 K N 2.740 123.166 120.400 0.043 0.000 2.263 201 K HA 0.360 4.680 4.320 0.001 0.000 0.282 201 K C -1.243 175.361 176.600 0.008 0.000 1.089 201 K CA -0.339 55.962 56.287 0.023 0.000 0.907 201 K CB 0.186 32.696 32.500 0.017 0.000 1.148 201 K HN 0.353 nan 8.250 nan 0.000 0.470 202 V N 3.623 123.539 119.914 0.003 0.000 2.472 202 V HA 0.326 4.447 4.120 0.001 0.000 0.290 202 V C -0.220 175.865 176.094 -0.015 0.000 1.037 202 V CA -0.646 61.647 62.300 -0.012 0.000 0.908 202 V CB 1.804 33.621 31.823 -0.009 0.000 0.985 202 V HN 0.787 nan 8.190 nan 0.000 0.454 203 T N 3.848 118.385 114.554 -0.028 0.000 2.840 203 T HA 0.508 4.858 4.350 0.001 0.000 0.287 203 T C -0.520 174.162 174.700 -0.029 0.000 0.991 203 T CA -0.357 61.725 62.100 -0.030 0.000 0.964 203 T CB 1.558 70.397 68.868 -0.049 0.000 0.954 203 T HN 0.339 nan 8.240 nan 0.000 0.438 204 V N 4.738 124.651 119.914 -0.001 0.000 2.394 204 V HA 0.422 4.543 4.120 0.001 0.000 0.282 204 V C -0.540 175.535 176.094 -0.031 0.000 1.031 204 V CA -0.835 61.468 62.300 0.006 0.000 0.881 204 V CB 1.223 33.094 31.823 0.080 0.000 0.982 204 V HN 0.664 nan 8.190 nan 0.000 0.451 205 L N 5.229 126.422 121.223 -0.049 0.000 2.272 205 L HA 0.660 5.000 4.340 0.001 0.000 0.284 205 L C 0.521 177.350 176.870 -0.068 0.000 1.045 205 L CA 0.159 54.961 54.840 -0.063 0.000 0.842 205 L CB 1.090 43.111 42.059 -0.064 0.000 1.224 205 L HN 0.728 nan 8.230 nan 0.000 0.430 206 A N 3.581 126.353 122.820 -0.080 0.000 2.276 206 A HA 0.522 4.842 4.320 0.001 0.000 0.316 206 A C 1.314 178.813 177.584 -0.142 0.000 1.229 206 A CA -0.666 51.305 52.037 -0.110 0.000 0.851 206 A CB 0.457 19.386 19.000 -0.119 0.000 1.165 206 A HN 0.868 nan 8.150 nan 0.000 0.513 207 R N 2.317 122.728 120.500 -0.148 0.000 2.152 207 R HA -0.109 4.232 4.340 0.001 0.000 0.232 207 R C 0.391 176.553 176.300 -0.231 0.000 1.117 207 R CA 1.944 57.953 56.100 -0.150 0.000 0.981 207 R CB -0.202 30.015 30.300 -0.138 0.000 0.870 207 R HN 0.789 nan 8.270 nan 0.000 0.451 208 N N -0.592 117.889 118.700 -0.365 0.000 2.241 208 N HA 0.144 4.884 4.740 0.001 0.000 0.124 208 N C -0.818 174.322 175.510 -0.616 0.000 1.667 208 N CA -0.109 52.581 53.050 -0.601 0.000 1.183 208 N CB 0.939 38.934 38.487 -0.821 0.000 1.254 208 N HN 0.124 nan 8.380 nan 0.000 0.290 209 T N -0.660 113.716 114.554 -0.297 0.000 2.926 209 T HA 0.550 4.900 4.350 0.001 0.000 0.289 209 T C -0.312 174.400 174.700 0.020 0.000 1.054 209 T CA -0.826 61.214 62.100 -0.101 0.000 1.015 209 T CB 0.737 69.645 68.868 0.065 0.000 1.167 209 T HN 0.098 nan 8.240 nan 0.000 0.526 210 L N 1.245 122.492 121.223 0.040 0.000 2.426 210 L HA 0.300 4.640 4.340 0.001 0.000 0.271 210 L C 0.020 177.031 176.870 0.236 0.000 1.169 210 L CA -0.461 54.416 54.840 0.061 0.000 0.836 210 L CB -0.621 41.492 42.059 0.091 0.000 1.112 210 L HN 0.808 nan 8.230 nan 0.000 0.465 211 F N 1.401 121.369 119.950 0.030 0.000 3.027 211 F HA -0.287 4.241 4.527 0.001 0.000 0.276 211 F C 1.137 176.978 175.800 0.068 0.000 0.967 211 F CA 0.331 58.355 58.000 0.041 0.000 0.929 211 F CB -1.894 37.113 39.000 0.011 0.000 0.873 211 F HN 0.377 nan 8.300 nan 0.000 0.787 212 F N 0.905 120.880 119.950 0.042 0.000 2.171 212 F HA -0.138 4.389 4.527 0.001 0.000 0.300 212 F C 2.179 178.000 175.800 0.036 0.000 1.090 212 F CA 2.095 60.109 58.000 0.024 0.000 1.293 212 F CB -0.167 38.821 39.000 -0.021 0.000 1.013 212 F HN 0.039 nan 8.300 nan 0.000 0.486 213 R N -0.003 120.532 120.500 0.059 0.000 2.313 213 R HA 0.041 4.382 4.340 0.001 0.000 0.199 213 R C 0.391 176.685 176.300 -0.010 0.000 0.958 213 R CA 0.241 56.329 56.100 -0.019 0.000 1.047 213 R CB -0.109 30.226 30.300 0.059 0.000 0.955 213 R HN 0.238 nan 8.270 nan 0.000 0.481 214 E N 0.596 120.829 120.200 0.055 0.000 2.285 214 E HA 0.071 4.421 4.350 0.001 0.000 0.254 214 E C -0.693 175.914 176.600 0.012 0.000 1.011 214 E CA -0.691 55.759 56.400 0.084 0.000 0.873 214 E CB 0.493 30.330 29.700 0.228 0.000 1.229 214 E HN -0.007 nan 8.360 nan 0.000 0.422 215 D N 2.033 122.441 120.400 0.014 0.000 2.493 215 D HA -0.030 4.610 4.640 0.001 0.000 0.240 215 D C -1.356 174.928 176.300 -0.027 0.000 1.142 215 D CA -1.139 52.847 54.000 -0.024 0.000 0.872 215 D CB 0.987 41.785 40.800 -0.003 0.000 1.173 215 D HN 0.019 nan 8.370 nan 0.000 0.467 216 P HA -0.189 nan 4.420 nan 0.000 0.217 216 P C 1.017 178.284 177.300 -0.055 0.000 1.148 216 P CA 1.092 64.162 63.100 -0.050 0.000 0.828 216 P CB 0.113 31.772 31.700 -0.069 0.000 0.783 217 A N -0.177 122.568 122.820 -0.125 0.000 1.972 217 A HA -0.133 4.187 4.320 0.001 0.000 0.219 217 A C 2.364 179.958 177.584 0.017 0.000 1.169 217 A CA 1.110 53.013 52.037 -0.224 0.000 0.635 217 A CB -1.386 17.205 19.000 -0.683 0.000 0.810 217 A HN 0.145 nan 8.150 nan 0.000 0.446 218 I N -0.452 120.169 120.570 0.085 0.000 2.113 218 I HA -0.204 3.967 4.170 0.001 0.000 0.238 218 I C 2.777 178.817 176.117 -0.129 0.000 1.070 218 I CA 1.289 62.583 61.300 -0.009 0.000 1.332 218 I CB -0.841 37.015 38.000 -0.241 0.000 1.044 218 I HN 0.385 nan 8.210 nan 0.000 0.402 219 G N 0.294 109.084 108.800 -0.018 0.000 2.442 219 G HA2 -0.235 3.725 3.960 0.001 0.000 0.219 219 G HA3 -0.235 3.725 3.960 0.001 0.000 0.219 219 G C 1.509 176.432 174.900 0.038 0.000 1.141 219 G CA 0.681 45.842 45.100 0.101 0.000 0.763 219 G HN 0.438 nan 8.290 nan 0.000 0.554 220 E N 0.474 120.690 120.200 0.027 0.000 2.077 220 E HA -0.043 4.307 4.350 0.001 0.000 0.193 220 E C 2.948 179.564 176.600 0.026 0.000 0.989 220 E CA 0.807 57.221 56.400 0.023 0.000 0.800 220 E CB -0.183 29.520 29.700 0.004 0.000 0.746 220 E HN 0.422 nan 8.360 nan 0.000 0.452 221 A N 0.923 123.773 122.820 0.050 0.000 1.898 221 A HA -0.123 4.198 4.320 0.001 0.000 0.216 221 A C 2.500 180.079 177.584 -0.008 0.000 1.181 221 A CA 1.082 53.156 52.037 0.061 0.000 0.620 221 A CB -0.591 18.498 19.000 0.148 0.000 0.819 221 A HN 0.109 nan 8.150 nan 0.000 0.442 222 V N -0.199 119.664 119.914 -0.085 0.000 2.358 222 V HA -0.206 3.915 4.120 0.001 0.000 0.246 222 V C 2.725 178.674 176.094 -0.241 0.000 1.047 222 V CA 2.410 64.597 62.300 -0.187 0.000 1.035 222 V CB -1.222 30.454 31.823 -0.245 0.000 0.658 222 V HN 0.601 nan 8.190 nan 0.000 0.452 223 T N 0.479 114.952 114.554 -0.135 0.000 2.746 223 T HA -0.149 4.201 4.350 0.001 0.000 0.267 223 T C 2.059 176.783 174.700 0.040 0.000 1.039 223 T CA 1.600 63.659 62.100 -0.068 0.000 1.142 223 T CB -0.393 68.471 68.868 -0.007 0.000 0.866 223 T HN 0.567 nan 8.240 nan 0.000 0.444 224 A N 1.378 124.224 122.820 0.044 0.000 1.898 224 A HA 0.213 4.533 4.320 0.001 0.000 0.216 224 A C 2.640 180.293 177.584 0.114 0.000 1.181 224 A CA 1.712 53.794 52.037 0.075 0.000 0.620 224 A CB -1.047 17.988 19.000 0.060 0.000 0.819 224 A HN 0.498 nan 8.150 nan 0.000 0.442 225 A N -1.006 121.889 122.820 0.124 0.000 1.902 225 A HA -0.038 4.283 4.320 0.001 0.000 0.217 225 A C 2.094 179.865 177.584 0.313 0.000 1.181 225 A CA 1.355 53.504 52.037 0.187 0.000 0.623 225 A CB -0.786 18.323 19.000 0.182 0.000 0.818 225 A HN 0.546 nan 8.150 nan 0.000 0.443 226 F N -0.504 119.475 119.950 0.049 0.000 2.102 226 F HA -0.191 4.336 4.527 0.001 0.000 0.298 226 F C 2.781 178.608 175.800 0.044 0.000 1.105 226 F CA 1.199 59.226 58.000 0.046 0.000 1.239 226 F CB -0.128 38.905 39.000 0.055 0.000 0.991 226 F HN 0.138 nan 8.300 nan 0.000 0.474 227 R N 0.191 120.842 120.500 0.251 0.000 2.120 227 R HA -0.140 4.201 4.340 0.001 0.000 0.234 227 R C 2.331 178.700 176.300 0.115 0.000 1.123 227 R CA 1.015 57.203 56.100 0.148 0.000 0.975 227 R CB -0.576 29.794 30.300 0.117 0.000 0.866 227 R HN 0.237 nan 8.270 nan 0.000 0.446 228 A N 1.791 124.686 122.820 0.124 0.000 2.019 228 A HA -0.181 4.140 4.320 0.001 0.000 0.219 228 A C 1.433 179.078 177.584 0.101 0.000 1.164 228 A CA 1.504 53.603 52.037 0.104 0.000 0.644 228 A CB -0.261 18.804 19.000 0.109 0.000 0.805 228 A HN 0.547 nan 8.150 nan 0.000 0.449 229 E N -1.717 118.544 120.200 0.102 0.000 2.496 229 E HA 0.428 4.778 4.350 0.001 0.000 0.202 229 E C 0.721 177.356 176.600 0.057 0.000 1.021 229 E CA 0.124 56.580 56.400 0.094 0.000 1.015 229 E CB -0.409 29.347 29.700 0.092 0.000 1.102 229 E HN 0.655 nan 8.360 nan 0.000 0.452 230 G N 1.457 110.291 108.800 0.056 0.000 2.143 230 G HA2 -0.284 3.676 3.960 0.001 0.000 0.249 230 G HA3 -0.284 3.676 3.960 0.001 0.000 0.249 230 G C 0.126 175.042 174.900 0.026 0.000 0.981 230 G CA 0.097 45.221 45.100 0.041 0.000 0.665 230 G HN 0.401 nan 8.290 nan 0.000 0.528 231 I N 0.972 121.556 120.570 0.023 0.000 2.342 231 I HA 0.308 4.479 4.170 0.001 0.000 0.291 231 I C 0.653 176.812 176.117 0.069 0.000 1.010 231 I CA -0.494 60.812 61.300 0.010 0.000 1.308 231 I CB 1.434 39.383 38.000 -0.085 0.000 1.400 231 I HN 0.231 nan 8.210 nan 0.000 0.488 232 E N 6.205 126.431 120.200 0.044 0.000 2.229 232 E HA 0.337 4.687 4.350 0.001 0.000 0.283 232 E C -1.383 175.244 176.600 0.044 0.000 1.030 232 E CA -0.518 55.902 56.400 0.033 0.000 0.836 232 E CB 1.194 30.890 29.700 -0.007 0.000 1.068 232 E HN 0.363 nan 8.360 nan 0.000 0.401 233 V N 7.072 127.018 119.914 0.052 0.000 2.326 233 V HA 0.210 4.331 4.120 0.001 0.000 0.281 233 V C -0.121 175.964 176.094 -0.016 0.000 1.015 233 V CA -0.631 61.698 62.300 0.048 0.000 0.823 233 V CB 0.940 32.817 31.823 0.090 0.000 1.009 233 V HN 0.674 nan 8.190 nan 0.000 0.436 234 L N 5.272 126.456 121.223 -0.065 0.000 2.282 234 L HA 0.445 4.785 4.340 0.001 0.000 0.287 234 L C 0.599 177.433 176.870 -0.060 0.000 1.075 234 L CA -0.171 54.604 54.840 -0.109 0.000 0.839 234 L CB 0.421 42.354 42.059 -0.211 0.000 1.219 234 L HN 0.630 nan 8.230 nan 0.000 0.434 235 E N 2.484 122.667 120.200 -0.027 0.000 2.374 235 E HA 0.126 4.476 4.350 0.001 0.000 0.260 235 E C -0.052 176.540 176.600 -0.014 0.000 1.101 235 E CA -0.658 55.692 56.400 -0.084 0.000 0.907 235 E CB 0.371 30.036 29.700 -0.057 0.000 1.014 235 E HN 0.423 nan 8.360 nan 0.000 0.427 236 H N -0.359 118.693 119.070 -0.029 0.000 2.626 236 H HA -0.140 4.417 4.556 0.001 0.000 0.317 236 H C -0.800 174.515 175.328 -0.021 0.000 1.140 236 H CA 0.940 56.965 56.048 -0.038 0.000 1.134 236 H CB -1.868 27.883 29.762 -0.019 0.000 1.486 236 H HN 0.320 nan 8.280 nan 0.000 0.417 237 T N 1.525 116.092 114.554 0.022 0.000 2.848 237 T HA 0.520 4.870 4.350 0.001 0.000 0.285 237 T C 0.271 174.964 174.700 -0.012 0.000 0.995 237 T CA -0.741 61.373 62.100 0.023 0.000 0.970 237 T CB 2.808 71.683 68.868 0.012 0.000 0.976 237 T HN 0.218 nan 8.240 nan 0.000 0.441 238 Q N 0.917 120.716 119.800 -0.002 0.000 2.397 238 Q HA 0.727 5.067 4.340 0.001 0.000 0.275 238 Q C -1.064 174.930 176.000 -0.010 0.000 1.090 238 Q CA -1.130 54.661 55.803 -0.020 0.000 0.809 238 Q CB 2.688 31.411 28.738 -0.025 0.000 1.362 238 Q HN 0.777 nan 8.270 nan 0.000 0.431 239 A N 0.827 123.634 122.820 -0.022 0.000 2.289 239 A HA 0.380 4.701 4.320 0.001 0.000 0.298 239 A C 0.686 178.263 177.584 -0.012 0.000 1.208 239 A CA -0.297 51.732 52.037 -0.013 0.000 0.845 239 A CB 0.369 19.355 19.000 -0.023 0.000 1.125 239 A HN 0.826 nan 8.150 nan 0.000 0.517 240 S N 1.151 116.849 115.700 -0.002 0.000 2.503 240 S HA 0.232 4.703 4.470 0.001 0.000 0.217 240 S C 0.459 175.059 174.600 0.001 0.000 0.999 240 S CA 0.399 58.597 58.200 -0.003 0.000 0.914 240 S CB -0.025 63.175 63.200 0.001 0.000 0.782 240 S HN 0.818 nan 8.310 nan 0.000 0.520 241 Q N 0.225 120.030 119.800 0.008 0.000 2.353 241 Q HA 0.642 4.983 4.340 0.001 0.000 0.275 241 Q C -2.117 173.903 176.000 0.033 0.000 1.029 241 Q CA -0.529 55.285 55.803 0.017 0.000 0.848 241 Q CB 2.278 31.026 28.738 0.017 0.000 1.390 241 Q HN 0.112 nan 8.270 nan 0.000 0.401 242 V N 2.026 121.970 119.914 0.049 0.000 2.604 242 V HA 1.043 5.164 4.120 0.001 0.000 0.305 242 V C -0.786 175.370 176.094 0.104 0.000 1.043 242 V CA -0.105 62.254 62.300 0.098 0.000 0.888 242 V CB 1.530 33.424 31.823 0.118 0.000 0.995 242 V HN 0.892 nan 8.190 nan 0.000 0.429 243 A N 2.655 125.546 122.820 0.118 0.000 2.539 243 A HA 0.790 5.110 4.320 0.001 0.000 0.296 243 A C -1.315 176.292 177.584 0.038 0.000 1.073 243 A CA -0.509 51.568 52.037 0.067 0.000 0.700 243 A CB 1.875 20.890 19.000 0.025 0.000 1.296 243 A HN 0.905 nan 8.150 nan 0.000 0.405 244 H N 2.281 121.266 119.070 -0.143 0.000 2.991 244 H HA 0.633 5.189 4.556 0.001 0.000 0.304 244 H C -1.593 173.618 175.328 -0.196 0.000 1.040 244 H CA -0.221 55.639 56.048 -0.314 0.000 1.410 244 H CB 0.646 30.099 29.762 -0.515 0.000 1.529 244 H HN 0.676 nan 8.280 nan 0.000 0.509 245 M N 3.674 123.074 119.600 -0.333 0.000 2.457 245 M HA 0.198 4.679 4.480 0.001 0.000 0.300 245 M C -0.207 175.950 176.300 -0.237 0.000 1.141 245 M CA -0.664 54.518 55.300 -0.196 0.000 0.901 245 M CB 2.253 34.787 32.600 -0.109 0.000 1.687 245 M HN 0.481 nan 8.290 nan 0.000 0.449 246 D N 1.846 122.155 120.400 -0.152 0.000 2.772 246 D HA -0.165 4.475 4.640 0.001 0.000 0.233 246 D C 0.903 177.105 176.300 -0.163 0.000 1.143 246 D CA 1.773 55.699 54.000 -0.123 0.000 0.700 246 D CB -1.014 39.728 40.800 -0.097 0.000 1.076 246 D HN 1.273 nan 8.370 nan 0.000 0.430 247 G N 0.392 109.061 108.800 -0.218 0.000 2.148 247 G HA2 -0.310 3.651 3.960 0.001 0.000 0.254 247 G HA3 -0.310 3.651 3.960 0.001 0.000 0.254 247 G C 0.073 174.757 174.900 -0.359 0.000 0.981 247 G CA 1.121 46.106 45.100 -0.192 0.000 0.670 247 G HN 0.794 nan 8.290 nan 0.000 0.528 248 E N -0.993 118.819 120.200 -0.647 0.000 2.408 248 E HA 0.701 5.051 4.350 0.001 0.000 0.275 248 E C -1.036 175.189 176.600 -0.626 0.000 0.935 248 E CA -1.433 54.683 56.400 -0.473 0.000 0.775 248 E CB 1.013 30.603 29.700 -0.184 0.000 1.277 248 E HN 0.030 nan 8.360 nan 0.000 0.455 249 F N 0.898 120.712 119.950 -0.227 0.000 2.399 249 F HA 0.362 4.889 4.527 0.000 0.000 0.342 249 F C -0.076 175.672 175.800 -0.088 0.000 1.106 249 F CA -0.299 57.647 58.000 -0.090 0.000 1.196 249 F CB 1.655 40.648 39.000 -0.012 0.000 1.163 249 F HN 0.187 nan 8.300 nan 0.000 0.547 250 V N 5.370 125.351 119.914 0.112 0.000 2.409 250 V HA 0.360 4.480 4.120 0.001 0.000 0.290 250 V C -0.728 175.415 176.094 0.081 0.000 1.017 250 V CA -0.687 61.648 62.300 0.057 0.000 0.841 250 V CB 1.350 33.175 31.823 0.002 0.000 1.003 250 V HN 0.399 nan 8.190 nan 0.000 0.426 251 L N 4.075 125.337 121.223 0.065 0.000 2.296 251 L HA 0.593 4.934 4.340 0.001 0.000 0.286 251 L C 0.556 177.446 176.870 0.034 0.000 1.023 251 L CA 0.147 55.017 54.840 0.049 0.000 0.812 251 L CB 1.929 44.004 42.059 0.027 0.000 1.223 251 L HN 0.551 nan 8.230 nan 0.000 0.421 252 T N 1.862 116.433 114.554 0.028 0.000 2.743 252 T HA 0.595 4.945 4.350 0.001 0.000 0.293 252 T C 0.318 175.032 174.700 0.023 0.000 0.945 252 T CA -0.493 61.621 62.100 0.024 0.000 1.030 252 T CB 0.680 69.558 68.868 0.018 0.000 0.912 252 T HN 0.780 nan 8.240 nan 0.000 0.483 253 T N -1.274 113.300 114.554 0.034 0.000 2.864 253 T HA 0.429 4.779 4.350 0.001 0.000 0.289 253 T C 1.410 176.140 174.700 0.051 0.000 1.082 253 T CA -0.520 61.605 62.100 0.041 0.000 1.009 253 T CB 1.241 70.142 68.868 0.056 0.000 1.234 253 T HN 0.393 nan 8.240 nan 0.000 0.526 254 T N -1.642 112.947 114.554 0.058 0.000 3.113 254 T HA -0.021 4.330 4.350 0.001 0.000 0.263 254 T C 1.184 175.932 174.700 0.081 0.000 1.143 254 T CA 0.887 63.019 62.100 0.054 0.000 1.090 254 T CB -0.526 68.371 68.868 0.049 0.000 0.922 254 T HN 0.827 nan 8.240 nan 0.000 0.521 255 H N 1.081 120.155 119.070 0.007 0.000 2.652 255 H HA 0.420 4.976 4.556 0.000 0.000 0.274 255 H C 0.941 176.273 175.328 0.007 0.000 1.021 255 H CA 0.921 56.975 56.048 0.010 0.000 1.187 255 H CB 0.234 30.003 29.762 0.013 0.000 1.505 255 H HN 0.585 nan 8.280 nan 0.000 0.530 256 G N 0.897 109.738 108.800 0.068 0.000 2.384 256 G HA2 -0.174 3.787 3.960 0.001 0.000 0.668 256 G HA3 -0.174 3.787 3.960 0.001 0.000 0.668 256 G C -1.147 173.794 174.900 0.068 0.000 1.280 256 G CA -0.461 44.661 45.100 0.036 0.000 0.992 256 G HN 0.292 nan 8.290 nan 0.000 0.512 257 E N -0.468 119.758 120.200 0.044 0.000 2.316 257 E HA 0.523 4.873 4.350 0.001 0.000 0.275 257 E C -0.069 176.560 176.600 0.049 0.000 1.029 257 E CA -0.352 56.071 56.400 0.039 0.000 0.871 257 E CB 0.378 30.091 29.700 0.022 0.000 1.022 257 E HN 0.456 nan 8.360 nan 0.000 0.418 258 L N 4.907 126.155 121.223 0.041 0.000 2.362 258 L HA 0.566 4.906 4.340 0.001 0.000 0.275 258 L C -0.029 176.856 176.870 0.026 0.000 0.998 258 L CA -0.830 54.029 54.840 0.032 0.000 0.820 258 L CB 1.866 43.936 42.059 0.019 0.000 1.270 258 L HN 0.477 nan 8.230 nan 0.000 0.415 259 R N 2.003 122.514 120.500 0.019 0.000 2.637 259 R HA 0.910 5.250 4.340 0.001 0.000 0.291 259 R C -0.949 175.361 176.300 0.016 0.000 0.963 259 R CA -0.669 55.444 56.100 0.022 0.000 0.901 259 R CB 2.410 32.713 30.300 0.006 0.000 1.160 259 R HN 0.757 nan 8.270 nan 0.000 0.457 260 A N 1.014 123.859 122.820 0.043 0.000 2.612 260 A HA 0.288 4.608 4.320 0.001 0.000 0.293 260 A C -0.558 177.075 177.584 0.082 0.000 1.075 260 A CA -0.775 51.272 52.037 0.017 0.000 0.680 260 A CB 1.479 20.445 19.000 -0.058 0.000 1.279 260 A HN 0.766 nan 8.150 nan 0.000 0.411 261 D N 0.241 120.655 120.400 0.023 0.000 2.213 261 D HA 0.047 4.688 4.640 0.001 0.000 0.205 261 D C -0.039 176.308 176.300 0.079 0.000 0.961 261 D CA 1.126 55.157 54.000 0.052 0.000 0.853 261 D CB 0.346 41.147 40.800 0.002 0.000 0.967 261 D HN 0.282 nan 8.370 nan 0.000 0.496 262 K N 0.433 120.722 120.400 -0.184 0.000 2.477 262 K HA 0.479 4.800 4.320 0.001 0.000 0.255 262 K C -1.132 174.983 176.600 -0.809 0.000 0.952 262 K CA -0.929 54.998 56.287 -0.600 0.000 0.826 262 K CB 2.838 34.607 32.500 -1.219 0.000 1.331 262 K HN -0.083 nan 8.250 nan 0.000 0.437 263 L N 2.562 123.102 121.223 -1.138 0.000 2.372 263 L HA 0.439 4.780 4.340 0.001 0.000 0.274 263 L C -1.612 174.991 176.870 -0.445 0.000 0.988 263 L CA -0.830 53.471 54.840 -0.898 0.000 0.833 263 L CB 1.393 42.623 42.059 -1.383 0.000 1.236 263 L HN 0.520 nan 8.230 nan 0.000 0.410 264 L N 6.516 127.599 121.223 -0.234 0.000 2.272 264 L HA 0.610 4.950 4.340 0.001 0.000 0.289 264 L C -1.043 175.811 176.870 -0.027 0.000 1.032 264 L CA -0.136 54.705 54.840 0.001 0.000 0.810 264 L CB 1.541 43.621 42.059 0.035 0.000 1.205 264 L HN 0.408 nan 8.230 nan 0.000 0.422 265 V N 5.804 125.737 119.914 0.031 0.000 2.318 265 V HA 0.687 4.808 4.120 0.001 0.000 0.271 265 V C 0.499 176.594 176.094 0.002 0.000 1.030 265 V CA 0.038 62.313 62.300 -0.041 0.000 0.844 265 V CB 0.747 32.485 31.823 -0.141 0.000 1.015 265 V HN 0.931 nan 8.190 nan 0.000 0.460 266 A N 2.946 125.756 122.820 -0.017 0.000 3.317 266 A HA 0.470 4.791 4.320 0.001 0.000 0.307 266 A C 1.047 178.611 177.584 -0.033 0.000 1.003 266 A CA 0.238 52.271 52.037 -0.007 0.000 0.882 266 A CB 0.405 19.414 19.000 0.015 0.000 1.136 266 A HN 0.781 nan 8.150 nan 0.000 0.488 267 T N -2.635 111.891 114.554 -0.045 0.000 3.035 267 T HA 0.492 4.842 4.350 0.001 0.000 0.259 267 T C 1.044 175.711 174.700 -0.054 0.000 1.078 267 T CA 0.935 63.000 62.100 -0.058 0.000 1.132 267 T CB 0.268 69.097 68.868 -0.065 0.000 0.900 267 T HN 1.688 nan 8.240 nan 0.000 0.480 268 G N 0.028 108.801 108.800 -0.044 0.000 2.323 268 G HA2 0.526 4.487 3.960 0.001 0.000 0.291 268 G HA3 0.526 4.487 3.960 0.001 0.000 0.291 268 G C -1.999 172.879 174.900 -0.036 0.000 1.278 268 G CA -1.267 43.806 45.100 -0.045 0.000 0.860 268 G HN 0.343 nan 8.290 nan 0.000 0.504 269 R N -0.737 119.739 120.500 -0.040 0.000 2.795 269 R HA 0.753 5.094 4.340 0.001 0.000 0.275 269 R C -0.750 175.533 176.300 -0.029 0.000 0.981 269 R CA -0.587 55.493 56.100 -0.032 0.000 0.917 269 R CB 2.323 32.598 30.300 -0.041 0.000 1.202 269 R HN 0.841 nan 8.270 nan 0.000 0.469 270 T N -0.896 113.646 114.554 -0.019 0.000 2.863 270 T HA 0.514 4.865 4.350 0.001 0.000 0.285 270 T C -2.599 172.094 174.700 -0.012 0.000 1.009 270 T CA -2.357 59.734 62.100 -0.015 0.000 0.989 270 T CB 1.958 70.822 68.868 -0.008 0.000 1.004 270 T HN 0.294 nan 8.240 nan 0.000 0.455 271 P HA 0.149 nan 4.420 nan 0.000 0.268 271 P C -0.651 176.652 177.300 0.004 0.000 1.204 271 P CA -0.429 62.668 63.100 -0.005 0.000 0.768 271 P CB 0.439 32.137 31.700 -0.003 0.000 0.842 272 N N 2.305 121.009 118.700 0.006 0.000 2.807 272 N HA 0.078 4.819 4.740 0.001 0.000 0.259 272 N C 0.979 176.504 175.510 0.024 0.000 1.149 272 N CA 0.180 53.237 53.050 0.012 0.000 1.042 272 N CB -0.185 38.307 38.487 0.008 0.000 1.367 272 N HN 0.510 nan 8.380 nan 0.000 0.516 273 T N -2.899 111.671 114.554 0.027 0.000 3.016 273 T HA 0.158 4.508 4.350 0.001 0.000 0.271 273 T C 1.380 176.107 174.700 0.045 0.000 0.968 273 T CA -0.287 61.839 62.100 0.043 0.000 0.891 273 T CB 0.357 69.248 68.868 0.037 0.000 1.149 273 T HN 0.185 nan 8.240 nan 0.000 0.524 274 R N 1.663 122.183 120.500 0.034 0.000 2.148 274 R HA 0.122 4.462 4.340 0.001 0.000 0.227 274 R C 1.571 177.895 176.300 0.039 0.000 1.103 274 R CA 1.330 57.450 56.100 0.033 0.000 0.983 274 R CB -0.328 29.986 30.300 0.024 0.000 0.874 274 R HN 0.275 nan 8.270 nan 0.000 0.451 275 S N 0.681 116.405 115.700 0.040 0.000 2.597 275 S HA 0.215 4.686 4.470 0.001 0.000 0.224 275 S C 1.384 176.017 174.600 0.055 0.000 0.955 275 S CA -0.028 58.196 58.200 0.039 0.000 0.933 275 S CB 0.251 63.466 63.200 0.025 0.000 0.788 275 S HN 0.191 nan 8.310 nan 0.000 0.488 276 L N 0.846 122.121 121.223 0.086 0.000 2.529 276 L HA 0.275 4.615 4.340 0.001 0.000 0.223 276 L C 1.290 178.300 176.870 0.233 0.000 1.113 276 L CA 0.220 55.151 54.840 0.152 0.000 0.861 276 L CB -0.388 41.798 42.059 0.212 0.000 1.012 276 L HN 0.339 nan 8.230 nan 0.000 0.461 277 A N 0.317 123.229 122.820 0.154 0.000 2.687 277 A HA -0.223 4.098 4.320 0.001 0.000 0.299 277 A C 1.262 178.949 177.584 0.171 0.000 1.497 277 A CA 0.573 52.696 52.037 0.144 0.000 0.751 277 A CB -2.053 17.034 19.000 0.146 0.000 1.048 277 A HN 0.418 nan 8.150 nan 0.000 0.464 278 L N -1.117 120.176 121.223 0.117 0.000 2.187 278 L HA -0.184 4.156 4.340 0.001 0.000 0.213 278 L C 2.061 178.891 176.870 -0.066 0.000 1.100 278 L CA 1.521 56.355 54.840 -0.010 0.000 0.765 278 L CB -0.362 41.686 42.059 -0.020 0.000 0.904 278 L HN 0.514 nan 8.230 nan 0.000 0.437 279 D N 0.319 120.713 120.400 -0.010 0.000 2.218 279 D HA -0.124 4.517 4.640 0.001 0.000 0.204 279 D C 2.189 178.480 176.300 -0.015 0.000 0.976 279 D CA 1.300 55.290 54.000 -0.018 0.000 0.853 279 D CB 0.088 40.889 40.800 0.002 0.000 0.939 279 D HN 0.310 nan 8.370 nan 0.000 0.481 280 A N 0.191 123.021 122.820 0.018 0.000 2.119 280 A HA 0.169 4.490 4.320 0.001 0.000 0.217 280 A C 1.949 179.540 177.584 0.012 0.000 1.153 280 A CA 1.461 53.522 52.037 0.040 0.000 0.692 280 A CB -0.010 19.050 19.000 0.101 0.000 0.799 280 A HN 0.192 nan 8.150 nan 0.000 0.458 281 A N -2.038 120.732 122.820 -0.084 0.000 2.431 281 A HA 0.476 4.796 4.320 0.001 0.000 0.239 281 A C 1.455 178.932 177.584 -0.178 0.000 1.230 281 A CA 0.865 52.794 52.037 -0.180 0.000 0.928 281 A CB -0.564 18.080 19.000 -0.593 0.000 1.006 281 A HN 1.750 nan 8.150 nan 0.000 0.520 282 G N -0.363 108.361 108.800 -0.127 0.000 2.246 282 G HA2 -0.163 3.798 3.960 0.001 0.000 0.273 282 G HA3 -0.163 3.798 3.960 0.001 0.000 0.273 282 G C -0.028 174.796 174.900 -0.127 0.000 1.055 282 G CA 0.326 45.366 45.100 -0.100 0.000 0.851 282 G HN 0.872 nan 8.290 nan 0.000 0.500 283 V N 1.039 120.852 119.914 -0.168 0.000 2.350 283 V HA 0.494 4.615 4.120 0.001 0.000 0.276 283 V C 0.894 176.929 176.094 -0.099 0.000 1.028 283 V CA -0.163 62.040 62.300 -0.162 0.000 0.860 283 V CB 1.486 33.163 31.823 -0.244 0.000 0.990 283 V HN 0.359 nan 8.190 nan 0.000 0.453 284 T N 5.280 119.789 114.554 -0.076 0.000 2.897 284 T HA 0.522 4.872 4.350 0.001 0.000 0.294 284 T C 0.008 174.685 174.700 -0.038 0.000 1.004 284 T CA -0.224 61.846 62.100 -0.049 0.000 1.106 284 T CB 1.404 70.246 68.868 -0.042 0.000 0.949 284 T HN 0.702 nan 8.240 nan 0.000 0.520 285 V N 0.937 120.836 119.914 -0.025 0.000 3.046 285 V HA 0.787 4.907 4.120 0.001 0.000 0.316 285 V C -0.183 175.905 176.094 -0.011 0.000 1.104 285 V CA -1.402 60.889 62.300 -0.015 0.000 1.006 285 V CB 1.905 33.724 31.823 -0.008 0.000 1.058 285 V HN 0.882 nan 8.190 nan 0.000 0.440 286 N N 1.823 120.518 118.700 -0.007 0.000 2.495 286 N HA 0.557 5.297 4.740 0.001 0.000 0.294 286 N C 1.052 176.561 175.510 -0.002 0.000 1.276 286 N CA -0.072 52.975 53.050 -0.004 0.000 0.973 286 N CB 0.462 38.948 38.487 -0.002 0.000 1.143 286 N HN 0.960 nan 8.380 nan 0.000 0.589 287 A N -1.267 121.553 122.820 -0.000 0.000 2.024 287 A HA -0.171 4.150 4.320 0.001 0.000 0.220 287 A C 1.610 179.193 177.584 -0.000 0.000 1.164 287 A CA 1.420 53.458 52.037 0.001 0.000 0.643 287 A CB -0.751 18.250 19.000 0.002 0.000 0.806 287 A HN 0.666 nan 8.150 nan 0.000 0.451 288 Q N -1.725 118.074 119.800 -0.001 0.000 2.360 288 Q HA 0.338 4.679 4.340 0.001 0.000 0.202 288 Q C 1.200 177.198 176.000 -0.002 0.000 0.915 288 Q CA 0.793 56.594 55.803 -0.003 0.000 0.943 288 Q CB 0.232 28.966 28.738 -0.006 0.000 1.064 288 Q HN 0.897 nan 8.270 nan 0.000 0.511 289 G N -0.740 108.060 108.800 -0.001 0.000 2.176 289 G HA2 -0.255 3.706 3.960 0.001 0.000 0.253 289 G HA3 -0.255 3.706 3.960 0.001 0.000 0.253 289 G C 0.250 175.151 174.900 0.002 0.000 0.979 289 G CA -0.049 45.052 45.100 0.002 0.000 0.641 289 G HN 0.587 nan 8.290 nan 0.000 0.530 290 A N 0.055 122.874 122.820 -0.002 0.000 2.354 290 A HA 0.719 5.040 4.320 0.001 0.000 0.269 290 A C 0.628 178.210 177.584 -0.003 0.000 1.109 290 A CA -0.269 51.767 52.037 -0.002 0.000 0.800 290 A CB 0.360 19.357 19.000 -0.006 0.000 1.045 290 A HN 0.748 nan 8.150 nan 0.000 0.489 291 I N 2.339 122.909 120.570 -0.001 0.000 2.471 291 I HA 0.086 4.256 4.170 0.001 0.000 0.286 291 I C -0.119 175.990 176.117 -0.013 0.000 1.079 291 I CA -0.182 61.114 61.300 -0.007 0.000 1.398 291 I CB 1.013 39.013 38.000 -0.000 0.000 1.403 291 I HN 0.292 nan 8.210 nan 0.000 0.530 292 V N 7.993 127.893 119.914 -0.022 0.000 2.555 292 V HA 0.297 4.417 4.120 0.001 0.000 0.286 292 V C 0.242 176.315 176.094 -0.034 0.000 1.044 292 V CA -0.020 62.266 62.300 -0.023 0.000 1.026 292 V CB 0.628 32.436 31.823 -0.025 0.000 0.981 292 V HN 0.593 nan 8.190 nan 0.000 0.480 293 I N 1.283 121.839 120.570 -0.024 0.000 3.095 293 I HA 0.799 4.969 4.170 0.001 0.000 0.310 293 I C -0.892 175.214 176.117 -0.018 0.000 1.196 293 I CA -1.057 60.224 61.300 -0.032 0.000 0.985 293 I CB 2.483 40.476 38.000 -0.012 0.000 1.250 293 I HN 0.565 nan 8.210 nan 0.000 0.446 294 D N 1.263 121.650 120.400 -0.022 0.000 2.549 294 D HA 0.210 4.850 4.640 0.001 0.000 0.270 294 D C 0.378 176.689 176.300 0.018 0.000 1.181 294 D CA -0.457 53.540 54.000 -0.004 0.000 1.070 294 D CB 0.602 41.395 40.800 -0.012 0.000 1.154 294 D HN 0.713 nan 8.370 nan 0.000 0.602 295 Q N -1.033 118.783 119.800 0.025 0.000 2.439 295 Q HA 0.021 4.362 4.340 0.001 0.000 0.211 295 Q C 1.286 177.319 176.000 0.054 0.000 0.978 295 Q CA 1.210 57.035 55.803 0.037 0.000 0.897 295 Q CB -0.166 28.592 28.738 0.033 0.000 0.956 295 Q HN 0.696 nan 8.270 nan 0.000 0.483 296 G N -0.819 108.021 108.800 0.065 0.000 3.337 296 G HA2 0.185 4.146 3.960 0.001 0.000 0.246 296 G HA3 0.185 4.146 3.960 0.001 0.000 0.246 296 G C 0.325 175.338 174.900 0.187 0.000 1.131 296 G CA -0.313 44.856 45.100 0.115 0.000 0.773 296 G HN 0.188 nan 8.290 nan 0.000 0.544 297 M N -0.766 118.907 119.600 0.122 0.000 2.899 297 M HA -0.160 4.321 4.480 0.001 0.000 0.195 297 M C 0.622 176.959 176.300 0.063 0.000 0.603 297 M CA 0.331 55.716 55.300 0.142 0.000 0.712 297 M CB -1.679 31.051 32.600 0.216 0.000 2.569 297 M HN 0.350 nan 8.290 nan 0.000 0.406 298 R N 0.101 120.522 120.500 -0.132 0.000 2.340 298 R HA 0.581 4.922 4.340 0.001 0.000 0.300 298 R C 1.105 177.226 176.300 -0.299 0.000 1.069 298 R CA 0.258 56.046 56.100 -0.520 0.000 0.984 298 R CB 0.612 30.659 30.300 -0.421 0.000 1.003 298 R HN 0.467 nan 8.270 nan 0.000 0.459 299 T N -1.662 112.697 114.554 -0.325 0.000 2.867 299 T HA 0.057 4.407 4.350 0.001 0.000 0.286 299 T C 1.503 176.104 174.700 -0.164 0.000 1.022 299 T CA -0.295 61.695 62.100 -0.184 0.000 0.933 299 T CB 0.970 69.746 68.868 -0.155 0.000 1.280 299 T HN 0.550 nan 8.240 nan 0.000 0.566 300 S N -0.410 115.218 115.700 -0.121 0.000 2.474 300 S HA -0.048 4.422 4.470 0.001 0.000 0.235 300 S C 0.848 175.389 174.600 -0.099 0.000 0.997 300 S CA 0.134 58.276 58.200 -0.096 0.000 0.949 300 S CB -0.702 62.452 63.200 -0.077 0.000 0.766 300 S HN 0.775 nan 8.310 nan 0.000 0.517 301 N N 2.330 120.957 118.700 -0.121 0.000 2.424 301 N HA 0.249 4.990 4.740 0.001 0.000 0.271 301 N C -1.978 173.467 175.510 -0.108 0.000 0.985 301 N CA -2.038 50.955 53.050 -0.095 0.000 0.921 301 N CB 1.948 40.377 38.487 -0.097 0.000 1.149 301 N HN -0.014 nan 8.380 nan 0.000 0.492 302 P HA -0.124 nan 4.420 nan 0.000 0.218 302 P C 0.227 177.532 177.300 0.007 0.000 1.146 302 P CA 1.239 64.302 63.100 -0.061 0.000 0.813 302 P CB 0.509 32.203 31.700 -0.010 0.000 0.778 303 N N -0.609 118.136 118.700 0.075 0.000 2.280 303 N HA 0.161 4.902 4.740 0.001 0.000 0.192 303 N C 0.657 176.328 175.510 0.269 0.000 1.109 303 N CA 0.234 53.415 53.050 0.218 0.000 0.855 303 N CB 0.707 39.345 38.487 0.252 0.000 0.974 303 N HN 0.311 nan 8.380 nan 0.000 0.482 304 I N 0.663 121.295 120.570 0.102 0.000 2.465 304 I HA 0.299 4.469 4.170 0.001 0.000 0.291 304 I C -0.969 175.127 176.117 -0.035 0.000 1.014 304 I CA -0.779 60.580 61.300 0.098 0.000 1.093 304 I CB 1.320 39.313 38.000 -0.011 0.000 1.267 304 I HN -0.188 nan 8.210 nan 0.000 0.431 305 Y N 3.562 123.856 120.300 -0.010 0.000 2.621 305 Y HA 0.846 5.396 4.550 0.001 0.000 0.334 305 Y C 0.145 176.044 175.900 -0.002 0.000 1.074 305 Y CA -0.988 57.108 58.100 -0.007 0.000 1.149 305 Y CB 2.056 40.512 38.460 -0.007 0.000 1.302 305 Y HN 0.564 nan 8.280 nan 0.000 0.501 306 A N 0.597 123.504 122.820 0.144 0.000 2.549 306 A HA 0.963 5.283 4.320 0.001 0.000 0.297 306 A C -1.644 175.987 177.584 0.079 0.000 1.061 306 A CA -0.223 51.867 52.037 0.087 0.000 0.690 306 A CB 1.318 20.345 19.000 0.045 0.000 1.287 306 A HN 1.142 nan 8.150 nan 0.000 0.402 307 A N 0.379 123.233 122.820 0.057 0.000 2.594 307 A HA 1.027 5.347 4.320 0.001 0.000 0.295 307 A C 0.342 177.942 177.584 0.028 0.000 1.071 307 A CA 0.338 52.402 52.037 0.045 0.000 0.685 307 A CB 0.803 19.833 19.000 0.049 0.000 1.285 307 A HN 2.959 nan 8.150 nan 0.000 0.405 308 G N 0.757 109.568 108.800 0.018 0.000 2.587 308 G HA2 -0.031 3.929 3.960 0.001 0.000 0.212 308 G HA3 -0.031 3.929 3.960 0.001 0.000 0.212 308 G C -0.024 174.868 174.900 -0.013 0.000 1.327 308 G CA 0.451 45.552 45.100 0.002 0.000 0.898 308 G HN 0.852 nan 8.290 nan 0.000 0.551 309 D N -0.061 120.323 120.400 -0.026 0.000 2.351 309 D HA -0.066 4.574 4.640 0.001 0.000 0.216 309 D C 2.417 178.703 176.300 -0.024 0.000 0.968 309 D CA 1.759 55.735 54.000 -0.040 0.000 0.899 309 D CB -0.565 40.205 40.800 -0.050 0.000 0.907 309 D HN 0.924 nan 8.370 nan 0.000 0.514 310 C N -0.695 118.600 119.300 -0.008 0.000 2.626 310 C HA 0.231 4.691 4.460 0.001 0.000 0.266 310 C C 1.435 176.426 174.990 0.003 0.000 1.317 310 C CA -0.007 59.012 59.018 0.002 0.000 1.716 310 C CB -1.429 26.320 27.740 0.015 0.000 1.819 310 C HN 0.225 nan 8.230 nan 0.000 0.578 311 T N -2.450 112.103 114.554 -0.001 0.000 2.864 311 T HA 0.368 4.719 4.350 0.001 0.000 0.276 311 T C 0.271 174.966 174.700 -0.009 0.000 1.006 311 T CA 0.386 62.486 62.100 -0.000 0.000 0.970 311 T CB 0.943 69.815 68.868 0.007 0.000 1.420 311 T HN 0.116 nan 8.240 nan 0.000 0.601 312 D N -0.408 119.988 120.400 -0.005 0.000 2.340 312 D HA 0.098 4.738 4.640 0.001 0.000 0.220 312 D C 0.495 176.790 176.300 -0.008 0.000 1.039 312 D CA -0.009 53.986 54.000 -0.008 0.000 0.866 312 D CB -0.188 40.612 40.800 -0.001 0.000 0.913 312 D HN 0.495 nan 8.370 nan 0.000 0.523 313 Q N 0.855 120.652 119.800 -0.006 0.000 2.432 313 Q HA 0.171 4.512 4.340 0.001 0.000 0.264 313 Q C -2.103 173.885 176.000 -0.021 0.000 1.035 313 Q CA -1.231 54.572 55.803 0.001 0.000 0.908 313 Q CB 0.056 28.799 28.738 0.008 0.000 1.280 313 Q HN 0.137 nan 8.270 nan 0.000 0.455 314 P HA -0.096 nan 4.420 nan 0.000 0.265 314 P C -1.048 176.145 177.300 -0.177 0.000 1.193 314 P CA 0.468 63.558 63.100 -0.017 0.000 0.765 314 P CB 0.370 32.204 31.700 0.223 0.000 0.823 315 Q N 2.901 122.428 119.800 -0.455 0.000 2.844 315 Q HA 0.286 4.627 4.340 0.001 0.000 0.235 315 Q C -0.787 174.739 176.000 -0.790 0.000 1.336 315 Q CA 0.217 55.730 55.803 -0.484 0.000 1.026 315 Q CB -0.381 28.143 28.738 -0.357 0.000 1.513 315 Q HN 0.452 nan 8.270 nan 0.000 0.577 316 F N -1.102 118.715 119.950 -0.222 0.000 2.565 316 F HA 0.161 4.688 4.527 0.001 0.000 0.313 316 F C 0.857 176.451 175.800 -0.343 0.000 1.091 316 F CA -0.954 56.812 58.000 -0.390 0.000 0.915 316 F CB 1.374 39.810 39.000 -0.939 0.000 1.208 316 F HN 0.001 nan 8.300 nan 0.000 0.453 317 V N 3.244 123.160 119.914 0.003 0.000 2.515 317 V HA -0.283 3.837 4.120 0.001 0.000 0.250 317 V C 1.665 177.818 176.094 0.099 0.000 1.058 317 V CA 2.082 64.424 62.300 0.070 0.000 1.064 317 V CB -0.622 31.291 31.823 0.151 0.000 0.675 317 V HN 0.828 nan 8.190 nan 0.000 0.461 318 Y N -1.908 118.484 120.300 0.154 0.000 2.439 318 Y HA 0.069 4.619 4.550 0.001 0.000 0.292 318 Y C 2.174 178.131 175.900 0.096 0.000 1.130 318 Y CA 1.216 59.374 58.100 0.098 0.000 1.254 318 Y CB -1.011 37.487 38.460 0.063 0.000 1.000 318 Y HN 0.071 nan 8.280 nan 0.000 0.554 319 V N 0.907 120.761 119.914 -0.100 0.000 2.407 319 V HA -0.151 3.970 4.120 0.001 0.000 0.245 319 V C 2.765 178.875 176.094 0.026 0.000 1.041 319 V CA 1.442 63.740 62.300 -0.003 0.000 1.040 319 V CB -0.995 30.820 31.823 -0.013 0.000 0.671 319 V HN 0.561 nan 8.190 nan 0.000 0.455 320 A N 0.242 123.067 122.820 0.009 0.000 1.908 320 A HA -0.162 4.158 4.320 0.001 0.000 0.218 320 A C 2.407 180.018 177.584 0.044 0.000 1.181 320 A CA 2.260 54.312 52.037 0.024 0.000 0.627 320 A CB -0.808 18.203 19.000 0.018 0.000 0.818 320 A HN 0.558 nan 8.150 nan 0.000 0.445 321 A N -0.264 122.595 122.820 0.064 0.000 1.898 321 A HA 0.185 4.506 4.320 0.001 0.000 0.216 321 A C 2.512 180.128 177.584 0.054 0.000 1.181 321 A CA 2.064 54.139 52.037 0.064 0.000 0.620 321 A CB -1.025 18.025 19.000 0.083 0.000 0.819 321 A HN 1.084 nan 8.150 nan 0.000 0.442 322 A N -0.190 122.672 122.820 0.070 0.000 1.933 322 A HA 0.169 4.489 4.320 0.001 0.000 0.218 322 A C 2.470 180.081 177.584 0.045 0.000 1.175 322 A CA 2.044 54.117 52.037 0.060 0.000 0.628 322 A CB -0.907 18.141 19.000 0.080 0.000 0.814 322 A HN 1.014 nan 8.150 nan 0.000 0.444 323 A N -0.515 122.332 122.820 0.046 0.000 1.898 323 A HA 0.177 4.497 4.320 0.001 0.000 0.216 323 A C 2.398 180.003 177.584 0.035 0.000 1.181 323 A CA 1.785 53.848 52.037 0.044 0.000 0.620 323 A CB -1.318 17.709 19.000 0.044 0.000 0.819 323 A HN 0.692 nan 8.150 nan 0.000 0.442 324 G N -1.034 107.783 108.800 0.028 0.000 2.418 324 G HA2 -0.148 3.812 3.960 0.001 0.000 0.217 324 G HA3 -0.148 3.812 3.960 0.001 0.000 0.217 324 G C 1.569 176.466 174.900 -0.006 0.000 1.158 324 G CA 1.646 46.754 45.100 0.013 0.000 0.771 324 G HN 0.418 nan 8.290 nan 0.000 0.545 325 T N 0.631 115.186 114.554 0.001 0.000 2.708 325 T HA -0.095 4.256 4.350 0.001 0.000 0.266 325 T C 2.515 177.204 174.700 -0.018 0.000 1.037 325 T CA 1.270 63.364 62.100 -0.010 0.000 1.146 325 T CB -0.139 68.730 68.868 0.001 0.000 0.865 325 T HN 0.266 nan 8.240 nan 0.000 0.435 326 R N 0.786 121.284 120.500 -0.002 0.000 2.115 326 R HA 0.159 4.500 4.340 0.001 0.000 0.226 326 R C 2.753 179.039 176.300 -0.023 0.000 1.100 326 R CA 0.979 57.078 56.100 -0.001 0.000 0.980 326 R CB -0.325 29.989 30.300 0.024 0.000 0.875 326 R HN 0.334 nan 8.270 nan 0.000 0.445 327 A N 1.268 124.071 122.820 -0.028 0.000 1.930 327 A HA -0.068 4.252 4.320 0.001 0.000 0.217 327 A C 2.350 179.776 177.584 -0.263 0.000 1.175 327 A CA 1.538 53.516 52.037 -0.098 0.000 0.627 327 A CB -0.559 18.432 19.000 -0.015 0.000 0.815 327 A HN 0.365 nan 8.150 nan 0.000 0.443 328 A N -0.032 122.693 122.820 -0.158 0.000 1.933 328 A HA -0.076 4.244 4.320 0.001 0.000 0.218 328 A C 2.103 179.599 177.584 -0.148 0.000 1.175 328 A CA 1.474 53.417 52.037 -0.157 0.000 0.628 328 A CB -0.582 18.363 19.000 -0.090 0.000 0.814 328 A HN 0.498 nan 8.150 nan 0.000 0.444 329 I N 0.119 120.625 120.570 -0.106 0.000 2.226 329 I HA -0.262 3.909 4.170 0.001 0.000 0.245 329 I C 1.954 178.015 176.117 -0.093 0.000 1.100 329 I CA 1.254 62.510 61.300 -0.074 0.000 1.374 329 I CB -0.402 37.575 38.000 -0.039 0.000 1.057 329 I HN 0.318 nan 8.210 nan 0.000 0.413 330 N N 0.534 119.154 118.700 -0.134 0.000 2.270 330 N HA -0.077 4.664 4.740 0.001 0.000 0.181 330 N C 1.808 177.174 175.510 -0.239 0.000 1.016 330 N CA 1.186 54.164 53.050 -0.120 0.000 0.870 330 N CB -0.170 38.316 38.487 -0.000 0.000 0.979 330 N HN 0.379 nan 8.380 nan 0.000 0.431 331 M N 0.139 119.464 119.600 -0.457 0.000 2.394 331 M HA -0.031 4.449 4.480 0.001 0.000 0.264 331 M C 0.866 177.082 176.300 -0.140 0.000 1.073 331 M CA 1.014 56.082 55.300 -0.387 0.000 1.111 331 M CB -0.234 32.114 32.600 -0.420 0.000 1.401 331 M HN 0.104 nan 8.290 nan 0.000 0.448 332 T N -3.276 111.211 114.554 -0.111 0.000 3.243 332 T HA 0.489 4.839 4.350 0.001 0.000 0.264 332 T C 1.086 175.770 174.700 -0.026 0.000 1.000 332 T CA 0.224 62.292 62.100 -0.052 0.000 0.901 332 T CB 0.187 69.025 68.868 -0.049 0.000 1.083 332 T HN 0.557 nan 8.240 nan 0.000 0.559 333 G N -0.006 108.784 108.800 -0.016 0.000 2.157 333 G HA2 -0.083 3.877 3.960 0.001 0.000 0.248 333 G HA3 -0.083 3.877 3.960 0.001 0.000 0.248 333 G C 0.486 175.390 174.900 0.006 0.000 0.979 333 G CA -0.275 44.828 45.100 0.005 0.000 0.650 333 G HN 1.022 nan 8.290 nan 0.000 0.529 334 G N -0.707 108.090 108.800 -0.005 0.000 2.525 334 G HA2 0.522 4.483 3.960 0.001 0.000 0.287 334 G HA3 0.522 4.483 3.960 0.001 0.000 0.287 334 G C -0.580 174.330 174.900 0.017 0.000 1.350 334 G CA 0.426 45.527 45.100 0.001 0.000 1.039 334 G HN 0.534 nan 8.290 nan 0.000 0.513 335 D N -1.213 119.199 120.400 0.019 0.000 2.364 335 D HA 0.531 5.171 4.640 0.001 0.000 0.251 335 D C -0.169 176.148 176.300 0.028 0.000 1.282 335 D CA -0.230 53.788 54.000 0.031 0.000 0.927 335 D CB 0.559 41.376 40.800 0.028 0.000 1.267 335 D HN 0.535 nan 8.370 nan 0.000 0.531 336 A N 1.513 124.352 122.820 0.032 0.000 2.356 336 A HA 0.974 5.294 4.320 0.001 0.000 0.323 336 A C -0.801 176.809 177.584 0.042 0.000 1.119 336 A CA -0.438 51.617 52.037 0.030 0.000 0.790 336 A CB 1.729 20.741 19.000 0.019 0.000 1.273 336 A HN 0.607 nan 8.150 nan 0.000 0.452 337 A N 0.602 123.444 122.820 0.037 0.000 2.475 337 A HA 0.666 4.986 4.320 0.001 0.000 0.301 337 A C -1.323 176.284 177.584 0.038 0.000 1.059 337 A CA -0.489 51.572 52.037 0.041 0.000 0.710 337 A CB 1.226 20.248 19.000 0.036 0.000 1.288 337 A HN 1.570 nan 8.150 nan 0.000 0.408 338 L N 1.598 122.846 121.223 0.042 0.000 2.265 338 L HA 0.544 4.884 4.340 0.001 0.000 0.288 338 L C -0.713 176.179 176.870 0.037 0.000 1.058 338 L CA 0.026 54.890 54.840 0.041 0.000 0.809 338 L CB 0.982 43.069 42.059 0.046 0.000 1.179 338 L HN 0.649 nan 8.230 nan 0.000 0.429 339 D N 4.764 125.185 120.400 0.035 0.000 2.329 339 D HA 0.254 4.894 4.640 0.001 0.000 0.232 339 D C 0.085 176.405 176.300 0.033 0.000 1.088 339 D CA -0.076 53.943 54.000 0.031 0.000 0.835 339 D CB 0.933 41.750 40.800 0.028 0.000 1.078 339 D HN 0.633 nan 8.370 nan 0.000 0.495 340 L N 3.167 124.407 121.223 0.027 0.000 2.818 340 L HA 0.122 4.462 4.340 0.001 0.000 0.243 340 L C 1.799 178.670 176.870 0.001 0.000 1.185 340 L CA -0.113 54.742 54.840 0.025 0.000 0.988 340 L CB 0.259 42.336 42.059 0.031 0.000 1.292 340 L HN 0.342 nan 8.230 nan 0.000 0.519 341 T N 0.629 115.184 114.554 0.001 0.000 2.803 341 T HA -0.143 4.208 4.350 0.001 0.000 0.269 341 T C 1.369 176.060 174.700 -0.016 0.000 1.052 341 T CA 1.622 63.714 62.100 -0.012 0.000 1.136 341 T CB 0.037 68.917 68.868 0.020 0.000 0.864 341 T HN 0.430 nan 8.240 nan 0.000 0.467 342 A N 0.559 123.378 122.820 -0.001 0.000 2.793 342 A HA 0.556 4.877 4.320 0.001 0.000 0.301 342 A C 0.365 177.943 177.584 -0.009 0.000 1.172 342 A CA -0.504 51.531 52.037 -0.004 0.000 0.973 342 A CB -0.334 18.669 19.000 0.004 0.000 1.164 342 A HN 0.460 nan 8.150 nan 0.000 0.542 343 M N 2.868 122.464 119.600 -0.006 0.000 2.194 343 M HA 0.272 4.752 4.480 0.001 0.000 0.347 343 M C -2.444 173.834 176.300 -0.037 0.000 1.439 343 M CA -1.469 53.836 55.300 0.008 0.000 1.131 343 M CB 0.916 33.536 32.600 0.033 0.000 1.733 343 M HN 0.147 nan 8.290 nan 0.000 0.467 344 P HA 0.512 nan 4.420 nan 0.000 0.282 344 P C -1.803 175.376 177.300 -0.202 0.000 1.259 344 P CA -0.526 62.501 63.100 -0.123 0.000 0.826 344 P CB 1.399 33.008 31.700 -0.153 0.000 1.064 345 A N 1.279 123.978 122.820 -0.201 0.000 2.455 345 A HA 0.649 4.969 4.320 0.001 0.000 0.300 345 A C -1.259 176.252 177.584 -0.123 0.000 1.040 345 A CA -0.598 51.278 52.037 -0.268 0.000 0.697 345 A CB 1.484 20.409 19.000 -0.125 0.000 1.265 345 A HN 0.279 nan 8.150 nan 0.000 0.407 346 V N 1.837 121.700 119.914 -0.085 0.000 2.709 346 V HA 0.550 4.671 4.120 0.001 0.000 0.308 346 V C -0.647 175.338 176.094 -0.182 0.000 1.062 346 V CA -0.613 61.552 62.300 -0.225 0.000 0.901 346 V CB 1.963 33.501 31.823 -0.475 0.000 1.003 346 V HN 0.722 nan 8.190 nan 0.000 0.425 347 V N 4.402 124.198 119.914 -0.196 0.000 2.384 347 V HA 0.407 4.528 4.120 0.001 0.000 0.287 347 V C -0.298 175.703 176.094 -0.155 0.000 1.020 347 V CA -0.291 62.006 62.300 -0.005 0.000 0.850 347 V CB 1.361 33.306 31.823 0.203 0.000 0.987 347 V HN 0.773 nan 8.190 nan 0.000 0.436 348 F N 3.252 123.282 119.950 0.135 0.000 2.913 348 F HA 0.177 4.704 4.527 0.001 0.000 0.306 348 F C 1.538 177.408 175.800 0.117 0.000 1.205 348 F CA -0.306 57.753 58.000 0.098 0.000 1.359 348 F CB -0.414 38.634 39.000 0.079 0.000 1.260 348 F HN 0.576 nan 8.300 nan 0.000 0.545 349 T N -3.642 111.047 114.554 0.226 0.000 2.849 349 T HA 0.386 4.736 4.350 0.001 0.000 0.276 349 T C -0.696 174.114 174.700 0.183 0.000 0.971 349 T CA -0.812 61.444 62.100 0.260 0.000 0.949 349 T CB 1.926 70.990 68.868 0.325 0.000 1.093 349 T HN 0.065 nan 8.240 nan 0.000 0.545 350 D N 1.441 121.958 120.400 0.194 0.000 2.542 350 D HA 0.408 5.049 4.640 0.001 0.000 0.252 350 D C -2.544 173.839 176.300 0.137 0.000 1.222 350 D CA -2.011 52.075 54.000 0.143 0.000 0.895 350 D CB 1.340 42.242 40.800 0.171 0.000 1.207 350 D HN 0.273 nan 8.370 nan 0.000 0.558 351 P HA 0.071 nan 4.420 nan 0.000 0.272 351 P C -0.483 176.814 177.300 -0.004 0.000 1.230 351 P CA -0.299 62.818 63.100 0.029 0.000 0.788 351 P CB 0.953 32.642 31.700 -0.018 0.000 0.949 352 Q N -0.184 119.585 119.800 -0.052 0.000 2.382 352 Q HA 0.412 4.752 4.340 0.001 0.000 0.229 352 Q C -0.434 175.461 176.000 -0.175 0.000 1.006 352 Q CA -0.739 55.002 55.803 -0.105 0.000 0.916 352 Q CB 0.770 29.411 28.738 -0.162 0.000 1.235 352 Q HN 0.223 nan 8.270 nan 0.000 0.512 353 V N 0.520 120.320 119.914 -0.191 0.000 2.555 353 V HA 0.780 4.901 4.120 0.001 0.000 0.302 353 V C -0.740 175.234 176.094 -0.200 0.000 1.038 353 V CA -0.626 61.527 62.300 -0.245 0.000 0.887 353 V CB 1.513 33.151 31.823 -0.308 0.000 0.991 353 V HN 0.842 nan 8.190 nan 0.000 0.434 354 A N 3.160 125.863 122.820 -0.194 0.000 2.455 354 A HA 0.952 5.273 4.320 0.001 0.000 0.300 354 A C -0.353 177.169 177.584 -0.104 0.000 1.040 354 A CA -0.295 51.653 52.037 -0.149 0.000 0.697 354 A CB 2.150 21.053 19.000 -0.163 0.000 1.265 354 A HN 1.007 nan 8.150 nan 0.000 0.407 355 T N -1.720 112.794 114.554 -0.066 0.000 2.883 355 T HA 0.795 5.146 4.350 0.001 0.000 0.301 355 T C -1.165 173.515 174.700 -0.032 0.000 1.158 355 T CA -0.710 61.373 62.100 -0.030 0.000 1.007 355 T CB 1.391 70.264 68.868 0.008 0.000 1.186 355 T HN 2.042 nan 8.240 nan 0.000 0.499 356 V N 0.819 120.726 119.914 -0.012 0.000 3.000 356 V HA 0.707 4.827 4.120 0.001 0.000 0.300 356 V C 0.441 176.538 176.094 0.005 0.000 1.251 356 V CA 1.080 63.371 62.300 -0.016 0.000 0.972 356 V CB 1.107 32.917 31.823 -0.021 0.000 1.065 356 V HN 2.207 nan 8.190 nan 0.000 0.431 357 G N 4.858 113.644 108.800 -0.023 0.000 2.598 357 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 357 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 357 G C -0.785 174.090 174.900 -0.041 0.000 1.302 357 G CA 0.428 45.512 45.100 -0.026 0.000 0.903 357 G HN 1.354 nan 8.290 nan 0.000 0.575 358 Y N 1.567 121.896 120.300 0.049 0.000 2.309 358 Y HA 0.505 5.055 4.550 0.001 0.000 0.327 358 Y C 1.410 177.340 175.900 0.050 0.000 1.172 358 Y CA 0.272 58.405 58.100 0.055 0.000 1.280 358 Y CB 1.445 39.945 38.460 0.067 0.000 1.234 358 Y HN 0.872 nan 8.280 nan 0.000 0.512 359 S N 0.802 116.626 115.700 0.207 0.000 2.693 359 S HA 0.243 4.714 4.470 0.001 0.000 0.276 359 S C 0.796 175.456 174.600 0.100 0.000 1.192 359 S CA -0.759 57.510 58.200 0.114 0.000 0.994 359 S CB 1.258 64.494 63.200 0.059 0.000 1.012 359 S HN 0.784 nan 8.310 nan 0.000 0.550 360 E N 0.805 121.009 120.200 0.006 0.000 2.038 360 E HA -0.175 4.175 4.350 0.001 0.000 0.195 360 E C 2.376 178.796 176.600 -0.300 0.000 1.000 360 E CA 1.364 57.697 56.400 -0.112 0.000 0.803 360 E CB -0.563 29.024 29.700 -0.188 0.000 0.750 360 E HN 0.788 nan 8.360 nan 0.000 0.448 361 A N 1.488 124.165 122.820 -0.239 0.000 1.908 361 A HA -0.275 4.045 4.320 0.001 0.000 0.218 361 A C 1.948 179.548 177.584 0.025 0.000 1.181 361 A CA 1.784 53.713 52.037 -0.180 0.000 0.627 361 A CB -0.537 18.392 19.000 -0.118 0.000 0.818 361 A HN 0.204 nan 8.150 nan 0.000 0.445 362 E N -0.372 119.891 120.200 0.105 0.000 2.110 362 E HA -0.097 4.253 4.350 0.001 0.000 0.193 362 E C 2.306 179.135 176.600 0.381 0.000 0.988 362 E CA 0.932 57.484 56.400 0.254 0.000 0.804 362 E CB -0.286 29.571 29.700 0.261 0.000 0.745 362 E HN 0.640 nan 8.360 nan 0.000 0.458 363 A N 1.117 124.112 122.820 0.291 0.000 1.873 363 A HA -0.203 4.117 4.320 0.001 0.000 0.215 363 A C 1.747 179.424 177.584 0.155 0.000 1.186 363 A CA 1.615 53.676 52.037 0.040 0.000 0.616 363 A CB -0.728 18.262 19.000 -0.016 0.000 0.823 363 A HN 0.203 nan 8.150 nan 0.000 0.442 364 H N -1.281 117.807 119.070 0.030 0.000 2.319 364 H HA -0.170 4.387 4.556 0.001 0.000 0.299 364 H C 1.965 177.334 175.328 0.068 0.000 1.092 364 H CA 1.867 57.935 56.048 0.034 0.000 1.302 364 H CB -0.749 29.042 29.762 0.047 0.000 1.373 364 H HN 0.775 nan 8.280 nan 0.000 0.497 365 H N 0.429 119.598 119.070 0.165 0.000 2.457 365 H HA -0.091 4.466 4.556 0.001 0.000 0.297 365 H C 0.595 175.976 175.328 0.088 0.000 1.092 365 H CA 1.527 57.640 56.048 0.108 0.000 1.309 365 H CB -0.036 29.786 29.762 0.100 0.000 1.382 365 H HN 0.235 nan 8.280 nan 0.000 0.535 366 D N -0.949 119.480 120.400 0.049 0.000 2.358 366 D HA 0.182 4.822 4.640 0.001 0.000 0.224 366 D C 1.108 177.373 176.300 -0.059 0.000 1.123 366 D CA 0.777 54.763 54.000 -0.022 0.000 0.833 366 D CB -0.072 40.790 40.800 0.103 0.000 0.946 366 D HN 0.560 nan 8.370 nan 0.000 0.505 367 G N 1.078 109.842 108.800 -0.059 0.000 2.176 367 G HA2 -0.295 3.665 3.960 0.001 0.000 0.252 367 G HA3 -0.295 3.665 3.960 0.001 0.000 0.252 367 G C 0.222 175.063 174.900 -0.097 0.000 1.024 367 G CA -0.201 44.854 45.100 -0.074 0.000 0.755 367 G HN 0.393 nan 8.290 nan 0.000 0.507 368 I N 0.798 121.297 120.570 -0.119 0.000 2.336 368 I HA 0.283 4.454 4.170 0.001 0.000 0.292 368 I C 0.135 176.152 176.117 -0.166 0.000 0.991 368 I CA -0.878 60.331 61.300 -0.151 0.000 1.227 368 I CB 1.181 39.037 38.000 -0.239 0.000 1.366 368 I HN -0.024 nan 8.210 nan 0.000 0.466 369 E N 5.355 125.467 120.200 -0.146 0.000 2.259 369 E HA 0.289 4.639 4.350 0.001 0.000 0.281 369 E C -0.030 176.516 176.600 -0.090 0.000 1.037 369 E CA -0.032 56.275 56.400 -0.155 0.000 0.854 369 E CB 1.462 31.101 29.700 -0.102 0.000 1.051 369 E HN 0.717 nan 8.360 nan 0.000 0.409 370 T N -0.425 114.092 114.554 -0.061 0.000 2.804 370 T HA 0.609 4.959 4.350 0.001 0.000 0.290 370 T C -0.799 173.963 174.700 0.104 0.000 1.099 370 T CA -0.923 61.209 62.100 0.053 0.000 1.011 370 T CB 2.548 71.498 68.868 0.136 0.000 1.291 370 T HN 0.226 nan 8.240 nan 0.000 0.523 371 D N -0.883 119.607 120.400 0.150 0.000 2.602 371 D HA 0.697 5.338 4.640 0.001 0.000 0.236 371 D C -1.175 175.302 176.300 0.295 0.000 1.209 371 D CA -0.121 54.000 54.000 0.203 0.000 0.831 371 D CB 2.423 43.364 40.800 0.234 0.000 1.478 371 D HN 0.987 nan 8.370 nan 0.000 0.438 372 S N 1.089 116.944 115.700 0.258 0.000 2.625 372 S HA 0.849 5.320 4.470 0.001 0.000 0.271 372 S C -1.391 173.133 174.600 -0.128 0.000 1.161 372 S CA -1.016 57.320 58.200 0.227 0.000 0.820 372 S CB 2.178 65.453 63.200 0.125 0.000 1.137 372 S HN 0.383 nan 8.310 nan 0.000 0.470 373 R N 0.364 120.725 120.500 -0.232 0.000 2.604 373 R HA 0.653 4.994 4.340 0.001 0.000 0.281 373 R C -1.450 174.752 176.300 -0.164 0.000 1.020 373 R CA -0.476 55.378 56.100 -0.410 0.000 0.899 373 R CB 1.894 31.663 30.300 -0.886 0.000 1.205 373 R HN 0.847 nan 8.270 nan 0.000 0.450 374 T N 3.009 117.478 114.554 -0.143 0.000 2.833 374 T HA 0.349 4.699 4.350 0.001 0.000 0.297 374 T C -0.633 174.037 174.700 -0.050 0.000 1.015 374 T CA -0.511 61.545 62.100 -0.073 0.000 0.963 374 T CB 0.981 69.757 68.868 -0.154 0.000 0.955 374 T HN 0.225 nan 8.240 nan 0.000 0.449 375 L N 5.279 126.511 121.223 0.016 0.000 2.265 375 L HA 0.500 4.840 4.340 0.001 0.000 0.289 375 L C 0.712 177.623 176.870 0.068 0.000 1.033 375 L CA -0.196 54.650 54.840 0.010 0.000 0.814 375 L CB 0.815 42.870 42.059 -0.007 0.000 1.203 375 L HN 0.725 nan 8.230 nan 0.000 0.423 376 T N 1.708 116.288 114.554 0.044 0.000 2.918 376 T HA 0.143 4.493 4.350 0.001 0.000 0.302 376 T C 1.205 175.929 174.700 0.039 0.000 1.045 376 T CA -0.628 61.516 62.100 0.073 0.000 1.114 376 T CB 0.799 69.689 68.868 0.036 0.000 0.965 376 T HN 0.517 nan 8.240 nan 0.000 0.540 377 L N 1.735 122.982 121.223 0.039 0.000 2.450 377 L HA 0.008 4.348 4.340 0.001 0.000 0.224 377 L C 2.050 178.910 176.870 -0.017 0.000 1.149 377 L CA 1.356 56.196 54.840 -0.001 0.000 0.816 377 L CB -0.818 41.235 42.059 -0.011 0.000 0.932 377 L HN 0.876 nan 8.230 nan 0.000 0.449 378 D N -2.538 117.855 120.400 -0.012 0.000 2.378 378 D HA -0.125 4.515 4.640 0.001 0.000 0.227 378 D C 1.067 177.347 176.300 -0.034 0.000 1.012 378 D CA 0.393 54.376 54.000 -0.029 0.000 0.905 378 D CB -0.442 40.346 40.800 -0.020 0.000 0.895 378 D HN 0.299 nan 8.370 nan 0.000 0.532 379 N N -0.123 118.561 118.700 -0.027 0.000 2.205 379 N HA 0.067 4.808 4.740 0.001 0.000 0.201 379 N C -0.492 175.000 175.510 -0.029 0.000 1.128 379 N CA -0.015 53.019 53.050 -0.026 0.000 0.867 379 N CB 1.866 40.339 38.487 -0.023 0.000 0.996 379 N HN 0.057 nan 8.380 nan 0.000 0.503 380 V N 2.700 122.590 119.914 -0.040 0.000 2.350 380 V HA 0.200 4.321 4.120 0.001 0.000 0.276 380 V C -1.441 174.606 176.094 -0.078 0.000 1.028 380 V CA -1.379 60.891 62.300 -0.051 0.000 0.860 380 V CB 1.948 33.739 31.823 -0.052 0.000 0.990 380 V HN -0.116 nan 8.190 nan 0.000 0.453 381 P HA -0.215 nan 4.420 nan 0.000 0.216 381 P C 1.771 178.951 177.300 -0.201 0.000 1.157 381 P CA 1.144 64.143 63.100 -0.169 0.000 0.880 381 P CB 0.217 31.731 31.700 -0.309 0.000 0.791 382 R N 0.128 120.520 120.500 -0.180 0.000 2.091 382 R HA -0.116 4.225 4.340 0.001 0.000 0.238 382 R C 2.087 178.337 176.300 -0.084 0.000 1.136 382 R CA 2.096 58.118 56.100 -0.129 0.000 0.959 382 R CB -1.474 28.772 30.300 -0.089 0.000 0.856 382 R HN 0.081 nan 8.270 nan 0.000 0.437 383 A N 0.252 123.025 122.820 -0.078 0.000 1.933 383 A HA -0.074 4.246 4.320 0.001 0.000 0.218 383 A C 2.263 179.781 177.584 -0.110 0.000 1.175 383 A CA 1.478 53.480 52.037 -0.058 0.000 0.628 383 A CB -0.558 18.412 19.000 -0.049 0.000 0.814 383 A HN 0.366 nan 8.150 nan 0.000 0.444 384 L N -0.905 120.217 121.223 -0.168 0.000 2.093 384 L HA -0.146 4.194 4.340 0.001 0.000 0.208 384 L C 2.984 179.565 176.870 -0.481 0.000 1.085 384 L CA 0.980 55.639 54.840 -0.303 0.000 0.755 384 L CB -0.429 41.489 42.059 -0.236 0.000 0.904 384 L HN 0.419 nan 8.230 nan 0.000 0.435 385 A N -0.276 122.387 122.820 -0.263 0.000 2.066 385 A HA -0.122 4.198 4.320 0.001 0.000 0.218 385 A C 1.804 179.444 177.584 0.093 0.000 1.157 385 A CA 1.319 53.271 52.037 -0.142 0.000 0.670 385 A CB -0.348 18.622 19.000 -0.049 0.000 0.804 385 A HN 0.400 nan 8.150 nan 0.000 0.453 386 N N -1.476 117.274 118.700 0.083 0.000 2.353 386 N HA 0.115 4.856 4.740 0.001 0.000 0.185 386 N C -0.447 175.297 175.510 0.390 0.000 1.098 386 N CA 0.051 53.291 53.050 0.317 0.000 0.872 386 N CB -0.327 38.273 38.487 0.187 0.000 0.970 386 N HN 0.333 nan 8.380 nan 0.000 0.467 387 F N 0.199 120.163 119.950 0.025 0.000 3.091 387 F HA -0.267 4.261 4.527 0.001 0.000 0.288 387 F C -0.198 175.591 175.800 -0.019 0.000 0.907 387 F CA 0.304 58.264 58.000 -0.066 0.000 1.028 387 F CB -1.570 37.273 39.000 -0.262 0.000 1.022 387 F HN -0.025 nan 8.300 nan 0.000 0.665 388 D N -0.174 120.287 120.400 0.102 0.000 2.323 388 D HA 0.350 4.990 4.640 0.001 0.000 0.242 388 D C 0.532 176.858 176.300 0.042 0.000 1.347 388 D CA 0.253 54.309 54.000 0.094 0.000 0.988 388 D CB 0.716 41.594 40.800 0.129 0.000 1.314 388 D HN 0.088 nan 8.370 nan 0.000 0.564 389 T N 0.309 114.880 114.554 0.028 0.000 3.214 389 T HA 0.171 4.522 4.350 0.001 0.000 0.264 389 T C 0.711 175.425 174.700 0.024 0.000 1.012 389 T CA -0.715 61.391 62.100 0.009 0.000 0.901 389 T CB -0.340 68.523 68.868 -0.008 0.000 1.070 389 T HN 0.366 nan 8.240 nan 0.000 0.561 390 R N 1.003 121.525 120.500 0.036 0.000 2.401 390 R HA 0.596 4.937 4.340 0.001 0.000 0.299 390 R C 0.626 176.937 176.300 0.018 0.000 1.064 390 R CA -0.071 56.055 56.100 0.042 0.000 1.000 390 R CB 0.005 30.338 30.300 0.055 0.000 0.973 390 R HN 0.351 nan 8.270 nan 0.000 0.438 391 G N 2.047 110.873 108.800 0.043 0.000 2.331 391 G HA2 0.209 4.169 3.960 0.001 0.000 0.402 391 G HA3 0.209 4.169 3.960 0.001 0.000 0.402 391 G C -1.141 173.810 174.900 0.085 0.000 1.275 391 G CA -0.540 44.547 45.100 -0.021 0.000 1.003 391 G HN 0.897 nan 8.290 nan 0.000 0.500 392 F N -2.376 117.542 119.950 -0.053 0.000 2.807 392 F HA 0.823 5.350 4.527 0.000 0.000 0.316 392 F C -1.407 174.361 175.800 -0.054 0.000 1.162 392 F CA -1.664 56.304 58.000 -0.053 0.000 0.910 392 F CB 0.972 39.938 39.000 -0.057 0.000 1.314 392 F HN 0.622 nan 8.300 nan 0.000 0.454 393 I N 2.225 122.896 120.570 0.168 0.000 2.478 393 I HA 0.411 4.581 4.170 0.001 0.000 0.287 393 I C -1.078 175.178 176.117 0.232 0.000 1.042 393 I CA -0.655 60.696 61.300 0.085 0.000 1.067 393 I CB 2.125 40.129 38.000 0.007 0.000 1.233 393 I HN 0.672 nan 8.210 nan 0.000 0.431 394 K N 6.454 127.013 120.400 0.266 0.000 2.292 394 K HA 0.681 5.001 4.320 0.001 0.000 0.257 394 K C -1.730 174.962 176.600 0.154 0.000 0.940 394 K CA -0.625 55.782 56.287 0.200 0.000 0.811 394 K CB 1.471 34.102 32.500 0.219 0.000 1.120 394 K HN 0.361 nan 8.250 nan 0.000 0.428 395 L N 3.968 125.292 121.223 0.168 0.000 2.346 395 L HA 0.460 4.801 4.340 0.001 0.000 0.276 395 L C -0.986 176.048 176.870 0.274 0.000 1.006 395 L CA -0.732 54.243 54.840 0.226 0.000 0.817 395 L CB 2.006 44.264 42.059 0.331 0.000 1.272 395 L HN 0.352 nan 8.230 nan 0.000 0.421 396 V N 4.511 124.542 119.914 0.195 0.000 2.448 396 V HA 0.599 4.720 4.120 0.001 0.000 0.295 396 V C -0.052 176.104 176.094 0.102 0.000 1.025 396 V CA -0.603 61.803 62.300 0.176 0.000 0.859 396 V CB 1.660 33.572 31.823 0.148 0.000 0.988 396 V HN 0.683 nan 8.190 nan 0.000 0.431 397 I N 0.597 121.205 120.570 0.063 0.000 3.067 397 I HA 0.737 4.907 4.170 0.001 0.000 0.312 397 I C -0.311 175.805 176.117 -0.001 0.000 1.073 397 I CA -0.864 60.410 61.300 -0.043 0.000 1.016 397 I CB 2.210 40.055 38.000 -0.259 0.000 1.227 397 I HN 0.621 nan 8.210 nan 0.000 0.456 398 E N 2.394 122.585 120.200 -0.016 0.000 2.227 398 E HA 0.151 4.502 4.350 0.001 0.000 0.282 398 E C -0.695 175.918 176.600 0.021 0.000 1.015 398 E CA -0.583 55.807 56.400 -0.016 0.000 0.823 398 E CB 0.947 30.623 29.700 -0.039 0.000 1.081 398 E HN 0.483 nan 8.360 nan 0.000 0.396 399 E N 2.188 122.401 120.200 0.021 0.000 2.384 399 E HA 0.111 4.461 4.350 0.001 0.000 0.266 399 E C 0.695 177.300 176.600 0.008 0.000 1.012 399 E CA 1.071 57.504 56.400 0.055 0.000 0.901 399 E CB 1.329 31.043 29.700 0.023 0.000 0.967 399 E HN 0.910 nan 8.360 nan 0.000 0.435 400 G N 2.767 111.564 108.800 -0.005 0.000 4.365 400 G HA2 -0.407 3.554 3.960 0.001 0.000 0.214 400 G HA3 -0.407 3.554 3.960 0.001 0.000 0.214 400 G C 1.208 175.882 174.900 -0.377 0.000 1.450 400 G CA 0.747 45.745 45.100 -0.170 0.000 0.937 400 G HN 0.605 nan 8.290 nan 0.000 0.625 401 S N 0.076 115.650 115.700 -0.211 0.000 2.436 401 S HA 0.104 4.574 4.470 0.001 0.000 0.228 401 S C 1.188 175.704 174.600 -0.140 0.000 1.014 401 S CA 1.520 59.606 58.200 -0.191 0.000 0.950 401 S CB -0.504 62.644 63.200 -0.088 0.000 0.784 401 S HN 1.448 nan 8.310 nan 0.000 0.504 402 H N 0.057 119.076 119.070 -0.085 0.000 3.080 402 H HA -0.137 4.419 4.556 0.001 0.000 0.254 402 H C 0.480 175.720 175.328 -0.147 0.000 1.179 402 H CA 0.426 56.390 56.048 -0.140 0.000 1.144 402 H CB -1.328 28.357 29.762 -0.130 0.000 1.261 402 H HN 0.501 nan 8.280 nan 0.000 0.333 403 R N 1.462 121.965 120.500 0.005 0.000 2.491 403 R HA 0.256 4.596 4.340 0.001 0.000 0.283 403 R C -0.038 176.244 176.300 -0.031 0.000 1.072 403 R CA -0.591 55.501 56.100 -0.014 0.000 1.048 403 R CB 0.448 30.743 30.300 -0.008 0.000 0.983 403 R HN 0.147 nan 8.270 nan 0.000 0.450 404 L N 7.108 128.314 121.223 -0.027 0.000 2.410 404 L HA 0.153 4.493 4.340 0.001 0.000 0.273 404 L C 0.553 177.446 176.870 0.038 0.000 1.144 404 L CA 0.571 55.403 54.840 -0.013 0.000 0.863 404 L CB 0.842 42.901 42.059 0.001 0.000 1.140 404 L HN 0.817 nan 8.230 nan 0.000 0.463 405 I N 1.463 122.074 120.570 0.069 0.000 4.240 405 I HA 0.640 4.810 4.170 0.001 0.000 0.331 405 I C 0.525 176.763 176.117 0.201 0.000 1.381 405 I CA 0.009 61.396 61.300 0.144 0.000 1.136 405 I CB 0.394 38.474 38.000 0.134 0.000 1.137 405 I HN 0.614 nan 8.210 nan 0.000 0.411 406 G N 0.760 109.646 108.800 0.145 0.000 2.667 406 G HA2 0.585 4.545 3.960 0.001 0.000 0.294 406 G HA3 0.585 4.545 3.960 0.001 0.000 0.294 406 G C -1.839 173.126 174.900 0.109 0.000 1.467 406 G CA -0.424 44.759 45.100 0.139 0.000 0.852 406 G HN -0.089 nan 8.290 nan 0.000 0.521 407 V N 0.707 120.671 119.914 0.084 0.000 2.777 407 V HA 0.620 4.741 4.120 0.001 0.000 0.306 407 V C -1.022 175.104 176.094 0.053 0.000 1.112 407 V CA -0.790 61.555 62.300 0.074 0.000 0.917 407 V CB 2.016 33.871 31.823 0.053 0.000 1.018 407 V HN 0.813 nan 8.190 nan 0.000 0.426 408 Q N 2.537 122.381 119.800 0.072 0.000 2.337 408 Q HA 0.887 5.227 4.340 0.001 0.000 0.270 408 Q C -0.624 175.369 176.000 -0.013 0.000 1.043 408 Q CA -0.152 55.681 55.803 0.050 0.000 0.794 408 Q CB 2.444 31.258 28.738 0.127 0.000 1.281 408 Q HN 1.089 nan 8.270 nan 0.000 0.446 409 A N 1.406 124.111 122.820 -0.191 0.000 2.515 409 A HA 0.840 5.160 4.320 0.001 0.000 0.298 409 A C -1.362 175.877 177.584 -0.574 0.000 1.059 409 A CA -0.671 51.115 52.037 -0.419 0.000 0.698 409 A CB 1.580 20.434 19.000 -0.243 0.000 1.289 409 A HN 0.444 nan 8.150 nan 0.000 0.404 410 V N 1.203 120.594 119.914 -0.871 0.000 2.409 410 V HA 0.809 4.929 4.120 0.001 0.000 0.290 410 V C 0.124 175.967 176.094 -0.418 0.000 1.017 410 V CA 0.543 62.468 62.300 -0.625 0.000 0.841 410 V CB 0.673 32.074 31.823 -0.704 0.000 1.003 410 V HN 1.892 nan 8.190 nan 0.000 0.426 411 A N 6.402 129.071 122.820 -0.251 0.000 2.549 411 A HA 0.818 5.138 4.320 0.001 0.000 0.291 411 A C -3.395 174.133 177.584 -0.093 0.000 1.034 411 A CA -1.092 50.855 52.037 -0.151 0.000 0.655 411 A CB 1.536 20.446 19.000 -0.151 0.000 1.299 411 A HN 0.503 nan 8.150 nan 0.000 0.427 412 P HA 0.347 nan 4.420 nan 0.000 0.268 412 P C -0.431 176.847 177.300 -0.036 0.000 1.205 412 P CA 0.937 64.029 63.100 -0.014 0.000 0.771 412 P CB 0.424 32.142 31.700 0.030 0.000 0.858 413 E N 0.731 120.907 120.200 -0.041 0.000 3.286 413 E HA -0.280 4.070 4.350 0.001 0.000 0.292 413 E C 1.139 177.698 176.600 -0.068 0.000 0.928 413 E CA 1.179 57.554 56.400 -0.043 0.000 0.982 413 E CB -2.229 27.456 29.700 -0.024 0.000 1.500 413 E HN 0.590 nan 8.360 nan 0.000 0.441 414 A N 0.351 123.109 122.820 -0.103 0.000 1.978 414 A HA -0.006 4.314 4.320 0.001 0.000 0.220 414 A C 2.424 179.929 177.584 -0.131 0.000 1.170 414 A CA 2.153 54.112 52.037 -0.129 0.000 0.636 414 A CB -0.752 18.141 19.000 -0.177 0.000 0.810 414 A HN 0.431 nan 8.150 nan 0.000 0.448 415 G N -0.712 107.994 108.800 -0.158 0.000 2.448 415 G HA2 -0.131 3.829 3.960 0.001 0.000 0.219 415 G HA3 -0.131 3.829 3.960 0.001 0.000 0.219 415 G C 1.369 176.211 174.900 -0.096 0.000 1.127 415 G CA 0.940 45.938 45.100 -0.169 0.000 0.766 415 G HN 0.528 nan 8.290 nan 0.000 0.552 416 E N 0.472 120.634 120.200 -0.063 0.000 2.060 416 E HA -0.039 4.312 4.350 0.001 0.000 0.189 416 E C 2.618 179.196 176.600 -0.035 0.000 0.974 416 E CA 0.805 57.182 56.400 -0.039 0.000 0.808 416 E CB -0.496 29.191 29.700 -0.021 0.000 0.768 416 E HN 0.556 nan 8.360 nan 0.000 0.453 417 L N -0.427 120.777 121.223 -0.031 0.000 2.217 417 L HA 0.054 4.394 4.340 0.001 0.000 0.211 417 L C 2.209 179.072 176.870 -0.013 0.000 1.107 417 L CA 1.085 55.921 54.840 -0.006 0.000 0.783 417 L CB -0.671 41.389 42.059 0.001 0.000 0.919 417 L HN -0.088 nan 8.230 nan 0.000 0.442 418 I N -0.010 120.532 120.570 -0.047 0.000 2.567 418 I HA -0.214 3.957 4.170 0.001 0.000 0.257 418 I C 2.466 178.556 176.117 -0.044 0.000 1.184 418 I CA 1.167 62.437 61.300 -0.050 0.000 1.451 418 I CB -0.344 37.606 38.000 -0.084 0.000 1.089 418 I HN 0.492 nan 8.210 nan 0.000 0.441 419 Q N -0.385 119.384 119.800 -0.051 0.000 2.230 419 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 419 Q C 2.092 178.075 176.000 -0.029 0.000 0.963 419 Q CA 2.005 57.776 55.803 -0.054 0.000 0.866 419 Q CB -0.345 28.353 28.738 -0.066 0.000 0.931 419 Q HN 0.444 nan 8.270 nan 0.000 0.452 420 T N -0.152 114.396 114.554 -0.009 0.000 2.777 420 T HA -0.070 4.280 4.350 0.001 0.000 0.266 420 T C 1.641 176.360 174.700 0.031 0.000 1.040 420 T CA 1.174 63.280 62.100 0.009 0.000 1.141 420 T CB -0.400 68.496 68.868 0.047 0.000 0.868 420 T HN 0.444 nan 8.240 nan 0.000 0.444 421 A N 1.395 124.237 122.820 0.037 0.000 1.898 421 A HA 0.189 4.510 4.320 0.001 0.000 0.216 421 A C 2.630 180.227 177.584 0.022 0.000 1.181 421 A CA 1.749 53.811 52.037 0.042 0.000 0.620 421 A CB -1.058 17.963 19.000 0.034 0.000 0.819 421 A HN 0.491 nan 8.150 nan 0.000 0.442 422 A N -0.550 122.269 122.820 -0.000 0.000 1.883 422 A HA -0.051 4.270 4.320 0.001 0.000 0.217 422 A C 2.039 179.621 177.584 -0.002 0.000 1.186 422 A CA 1.751 53.782 52.037 -0.009 0.000 0.624 422 A CB -0.567 18.413 19.000 -0.034 0.000 0.822 422 A HN 0.409 nan 8.150 nan 0.000 0.444 423 L N -0.548 120.671 121.223 -0.007 0.000 2.141 423 L HA -0.070 4.271 4.340 0.001 0.000 0.209 423 L C 2.950 179.823 176.870 0.006 0.000 1.094 423 L CA 1.603 56.439 54.840 -0.006 0.000 0.763 423 L CB -0.653 41.396 42.059 -0.018 0.000 0.908 423 L HN 0.391 nan 8.230 nan 0.000 0.437 424 A N -0.354 122.477 122.820 0.018 0.000 1.902 424 A HA -0.174 4.146 4.320 0.001 0.000 0.217 424 A C 2.298 179.899 177.584 0.027 0.000 1.181 424 A CA 1.753 53.808 52.037 0.029 0.000 0.623 424 A CB -0.692 18.340 19.000 0.053 0.000 0.818 424 A HN 0.365 nan 8.150 nan 0.000 0.443 425 I N -0.958 119.630 120.570 0.030 0.000 2.252 425 I HA -0.220 3.950 4.170 0.001 0.000 0.245 425 I C 2.641 178.776 176.117 0.031 0.000 1.102 425 I CA 1.616 62.938 61.300 0.036 0.000 1.385 425 I CB -0.266 37.761 38.000 0.045 0.000 1.064 425 I HN 0.323 nan 8.210 nan 0.000 0.414 426 R N 1.866 122.378 120.500 0.021 0.000 2.105 426 R HA -0.144 4.197 4.340 0.001 0.000 0.239 426 R C 1.476 177.785 176.300 0.015 0.000 1.135 426 R CA 1.726 57.837 56.100 0.017 0.000 0.967 426 R CB -0.619 29.685 30.300 0.008 0.000 0.861 426 R HN 0.330 nan 8.270 nan 0.000 0.442 427 N N 1.158 119.865 118.700 0.012 0.000 2.370 427 N HA 0.041 4.781 4.740 0.001 0.000 0.198 427 N C -0.520 174.997 175.510 0.012 0.000 1.156 427 N CA 0.236 53.292 53.050 0.010 0.000 0.839 427 N CB 0.172 38.662 38.487 0.005 0.000 0.989 427 N HN 0.212 nan 8.380 nan 0.000 0.468 428 R N -0.029 120.481 120.500 0.017 0.000 3.405 428 R HA -0.168 4.172 4.340 0.001 0.000 0.258 428 R C -0.289 176.018 176.300 0.012 0.000 1.030 428 R CA 0.506 56.615 56.100 0.016 0.000 0.691 428 R CB -1.935 28.372 30.300 0.013 0.000 1.093 428 R HN 0.317 nan 8.270 nan 0.000 0.448 429 M N 0.384 119.993 119.600 0.015 0.000 2.241 429 M HA 0.104 4.584 4.480 0.001 0.000 0.335 429 M C 1.397 177.701 176.300 0.007 0.000 1.122 429 M CA 0.335 55.644 55.300 0.015 0.000 1.164 429 M CB 0.927 33.542 32.600 0.025 0.000 1.459 429 M HN 0.220 nan 8.290 nan 0.000 0.461 430 T N -1.358 113.199 114.554 0.005 0.000 2.902 430 T HA 0.347 4.697 4.350 0.001 0.000 0.280 430 T C 1.152 175.833 174.700 -0.031 0.000 0.992 430 T CA -0.925 61.169 62.100 -0.009 0.000 1.015 430 T CB 0.857 69.737 68.868 0.020 0.000 1.044 430 T HN 0.556 nan 8.240 nan 0.000 0.520 431 V N -0.619 119.230 119.914 -0.108 0.000 2.515 431 V HA -0.115 4.005 4.120 0.001 0.000 0.250 431 V C 2.436 178.505 176.094 -0.042 0.000 1.058 431 V CA 1.174 63.399 62.300 -0.124 0.000 1.064 431 V CB -1.536 30.070 31.823 -0.361 0.000 0.675 431 V HN 0.737 nan 8.190 nan 0.000 0.461 432 Q N 1.053 120.833 119.800 -0.033 0.000 2.079 432 Q HA -0.124 4.216 4.340 0.001 0.000 0.200 432 Q C 2.254 178.273 176.000 0.032 0.000 0.974 432 Q CA 2.166 57.974 55.803 0.009 0.000 0.840 432 Q CB -0.503 28.250 28.738 0.025 0.000 0.898 432 Q HN 0.781 nan 8.270 nan 0.000 0.430 433 E N -0.166 120.053 120.200 0.032 0.000 2.077 433 E HA -0.174 4.177 4.350 0.001 0.000 0.193 433 E C 1.776 178.420 176.600 0.073 0.000 0.989 433 E CA 0.834 57.261 56.400 0.044 0.000 0.800 433 E CB -0.136 29.584 29.700 0.032 0.000 0.746 433 E HN 0.164 nan 8.360 nan 0.000 0.452 434 L N 0.814 122.086 121.223 0.081 0.000 2.056 434 L HA -0.064 4.277 4.340 0.001 0.000 0.207 434 L C 2.164 179.151 176.870 0.195 0.000 1.078 434 L CA 1.853 56.784 54.840 0.152 0.000 0.749 434 L CB -0.500 41.638 42.059 0.132 0.000 0.901 434 L HN 0.025 nan 8.230 nan 0.000 0.433 435 A N -1.163 121.715 122.820 0.096 0.000 2.015 435 A HA -0.159 4.162 4.320 0.001 0.000 0.219 435 A C 1.719 179.358 177.584 0.091 0.000 1.163 435 A CA 1.645 53.716 52.037 0.056 0.000 0.646 435 A CB -0.613 18.405 19.000 0.030 0.000 0.806 435 A HN 0.531 nan 8.150 nan 0.000 0.448 436 D N -0.002 120.458 120.400 0.101 0.000 2.340 436 D HA 0.034 4.674 4.640 0.001 0.000 0.220 436 D C 0.265 176.636 176.300 0.120 0.000 1.039 436 D CA 0.333 54.387 54.000 0.090 0.000 0.866 436 D CB 0.057 40.893 40.800 0.060 0.000 0.913 436 D HN 0.368 nan 8.370 nan 0.000 0.523 437 Q N 0.367 120.284 119.800 0.195 0.000 2.259 437 Q HA 0.314 4.654 4.340 0.001 0.000 0.246 437 Q C 0.346 176.505 176.000 0.266 0.000 0.920 437 Q CA -0.367 55.541 55.803 0.174 0.000 0.895 437 Q CB 1.764 30.580 28.738 0.130 0.000 1.220 437 Q HN 0.180 nan 8.270 nan 0.000 0.439 438 L N 2.313 123.608 121.223 0.120 0.000 2.331 438 L HA 0.342 4.683 4.340 0.001 0.000 0.278 438 L C -0.277 176.662 176.870 0.116 0.000 1.106 438 L CA 0.072 55.002 54.840 0.151 0.000 0.824 438 L CB 0.172 42.267 42.059 0.060 0.000 1.142 438 L HN 0.424 nan 8.230 nan 0.000 0.443 439 F N 2.488 122.458 119.950 0.033 0.000 2.546 439 F HA 0.477 5.005 4.527 0.001 0.000 0.320 439 F C -1.845 173.989 175.800 0.057 0.000 1.076 439 F CA -2.224 55.799 58.000 0.038 0.000 0.928 439 F CB 1.545 40.570 39.000 0.041 0.000 1.189 439 F HN 0.309 nan 8.300 nan 0.000 0.465 440 P HA 0.046 nan 4.420 nan 0.000 0.276 440 P C -1.156 176.275 177.300 0.219 0.000 1.230 440 P CA -0.139 63.063 63.100 0.170 0.000 0.776 440 P CB 0.288 32.048 31.700 0.100 0.000 0.888 441 Y N 3.650 123.992 120.300 0.069 0.000 2.480 441 Y HA 0.094 4.644 4.550 0.001 0.000 0.338 441 Y C 1.153 177.077 175.900 0.040 0.000 1.220 441 Y CA -0.307 57.822 58.100 0.049 0.000 1.430 441 Y CB 0.285 38.765 38.460 0.034 0.000 1.311 441 Y HN 0.294 nan 8.280 nan 0.000 0.575 442 L N 3.528 124.438 121.223 -0.522 0.000 3.717 442 L HA -0.244 4.097 4.340 0.001 0.000 0.411 442 L C -0.332 176.445 176.870 -0.155 0.000 1.233 442 L CA 0.729 55.312 54.840 -0.429 0.000 0.917 442 L CB -2.264 39.528 42.059 -0.446 0.000 1.902 442 L HN 0.811 nan 8.230 nan 0.000 0.894 443 T N -4.931 109.580 114.554 -0.071 0.000 2.908 443 T HA 0.589 4.939 4.350 0.001 0.000 0.290 443 T C 0.534 175.229 174.700 -0.008 0.000 1.034 443 T CA -0.659 61.434 62.100 -0.012 0.000 1.010 443 T CB 2.201 71.093 68.868 0.041 0.000 1.068 443 T HN 0.064 nan 8.240 nan 0.000 0.481 444 M N 1.831 121.428 119.600 -0.005 0.000 2.229 444 M HA 0.057 4.538 4.480 0.001 0.000 0.264 444 M C 2.006 178.314 176.300 0.013 0.000 1.063 444 M CA 1.158 56.451 55.300 -0.011 0.000 1.114 444 M CB -0.852 31.737 32.600 -0.019 0.000 1.387 444 M HN 0.675 nan 8.290 nan 0.000 0.420 445 V N 0.043 119.993 119.914 0.060 0.000 2.720 445 V HA -0.241 3.879 4.120 0.001 0.000 0.256 445 V C 2.061 178.266 176.094 0.185 0.000 1.082 445 V CA 2.136 64.516 62.300 0.133 0.000 1.101 445 V CB -0.609 31.315 31.823 0.169 0.000 0.693 445 V HN 0.658 nan 8.190 nan 0.000 0.479 446 E N -0.103 120.176 120.200 0.133 0.000 2.265 446 E HA -0.162 4.189 4.350 0.001 0.000 0.196 446 E C 2.091 178.585 176.600 -0.177 0.000 0.996 446 E CA 1.081 57.480 56.400 -0.002 0.000 0.832 446 E CB -0.479 29.250 29.700 0.049 0.000 0.756 446 E HN 0.693 nan 8.360 nan 0.000 0.491 447 G N 1.150 109.898 108.800 -0.086 0.000 2.462 447 G HA2 -0.238 3.722 3.960 0.001 0.000 0.220 447 G HA3 -0.238 3.722 3.960 0.001 0.000 0.220 447 G C 1.516 176.344 174.900 -0.120 0.000 1.121 447 G CA 0.524 45.570 45.100 -0.090 0.000 0.758 447 G HN 0.212 nan 8.290 nan 0.000 0.559 448 L N -0.036 121.107 121.223 -0.134 0.000 2.046 448 L HA -0.051 4.290 4.340 0.001 0.000 0.208 448 L C 2.821 179.541 176.870 -0.251 0.000 1.077 448 L CA 1.573 56.347 54.840 -0.109 0.000 0.747 448 L CB -0.335 41.742 42.059 0.030 0.000 0.896 448 L HN 0.231 nan 8.230 nan 0.000 0.432 449 K N 0.818 120.824 120.400 -0.656 0.000 2.026 449 K HA -0.171 4.149 4.320 0.001 0.000 0.208 449 K C 2.173 178.601 176.600 -0.287 0.000 1.048 449 K CA 1.292 57.173 56.287 -0.677 0.000 0.929 449 K CB -0.093 31.681 32.500 -1.210 0.000 0.713 449 K HN 0.220 nan 8.250 nan 0.000 0.439 450 L N 0.629 121.711 121.223 -0.236 0.000 2.042 450 L HA -0.181 4.159 4.340 0.001 0.000 0.210 450 L C 2.704 179.532 176.870 -0.069 0.000 1.076 450 L CA 1.365 56.136 54.840 -0.115 0.000 0.749 450 L CB -0.606 41.401 42.059 -0.086 0.000 0.893 450 L HN 0.297 nan 8.230 nan 0.000 0.432 451 A N -0.024 122.761 122.820 -0.057 0.000 1.930 451 A HA -0.107 4.214 4.320 0.001 0.000 0.217 451 A C 2.541 180.164 177.584 0.065 0.000 1.175 451 A CA 1.562 53.591 52.037 -0.015 0.000 0.627 451 A CB -0.636 18.373 19.000 0.015 0.000 0.815 451 A HN 0.393 nan 8.150 nan 0.000 0.443 452 A N -0.567 122.310 122.820 0.095 0.000 1.933 452 A HA -0.206 4.114 4.320 0.001 0.000 0.218 452 A C 2.069 179.776 177.584 0.205 0.000 1.175 452 A CA 1.590 53.755 52.037 0.213 0.000 0.628 452 A CB -0.537 18.508 19.000 0.074 0.000 0.814 452 A HN 0.657 nan 8.150 nan 0.000 0.444 453 Q N -0.520 119.319 119.800 0.066 0.000 2.291 453 Q HA -0.108 4.232 4.340 0.001 0.000 0.205 453 Q C 1.974 177.995 176.000 0.036 0.000 0.970 453 Q CA 1.577 57.406 55.803 0.043 0.000 0.876 453 Q CB -0.413 28.322 28.738 -0.005 0.000 0.935 453 Q HN 0.881 nan 8.270 nan 0.000 0.455 454 T N -2.437 112.112 114.554 -0.008 0.000 3.163 454 T HA -0.039 4.312 4.350 0.001 0.000 0.260 454 T C 1.138 175.745 174.700 -0.155 0.000 1.156 454 T CA 0.377 62.417 62.100 -0.100 0.000 1.072 454 T CB -0.227 68.537 68.868 -0.173 0.000 0.937 454 T HN 0.097 nan 8.240 nan 0.000 0.528 455 F N 1.867 121.782 119.950 -0.059 0.000 2.558 455 F HA 0.307 4.834 4.527 0.001 0.000 0.298 455 F C 2.034 177.784 175.800 -0.084 0.000 1.119 455 F CA 0.316 58.269 58.000 -0.080 0.000 1.451 455 F CB 0.056 38.991 39.000 -0.108 0.000 1.091 455 F HN 0.242 nan 8.300 nan 0.000 0.563 456 N N -1.359 117.395 118.700 0.091 0.000 2.113 456 N HA 0.073 4.813 4.740 0.001 0.000 0.223 456 N C -0.078 175.440 175.510 0.014 0.000 1.310 456 N CA 0.210 53.284 53.050 0.040 0.000 0.896 456 N CB 1.049 39.558 38.487 0.037 0.000 1.097 456 N HN 0.004 nan 8.380 nan 0.000 0.507 457 K N 0.731 121.132 120.400 0.002 0.000 2.395 457 K HA 0.304 4.624 4.320 0.001 0.000 0.245 457 K C -0.896 175.685 176.600 -0.030 0.000 1.017 457 K CA -0.570 55.710 56.287 -0.012 0.000 0.852 457 K CB 1.736 34.231 32.500 -0.008 0.000 1.311 457 K HN -0.156 nan 8.250 nan 0.000 0.452 458 D N 0.028 120.411 120.400 -0.028 0.000 2.283 458 D HA 0.125 4.765 4.640 0.001 0.000 0.248 458 D C 1.004 177.282 176.300 -0.036 0.000 1.072 458 D CA -0.373 53.606 54.000 -0.035 0.000 0.929 458 D CB 1.468 42.252 40.800 -0.027 0.000 1.182 458 D HN 0.115 nan 8.370 nan 0.000 0.433 459 V N 3.257 123.145 119.914 -0.043 0.000 2.568 459 V HA -0.179 3.941 4.120 0.001 0.000 0.253 459 V C 2.080 178.157 176.094 -0.028 0.000 1.072 459 V CA 1.335 63.611 62.300 -0.040 0.000 1.084 459 V CB -0.475 31.322 31.823 -0.043 0.000 0.676 459 V HN 0.530 nan 8.190 nan 0.000 0.469 460 K N -0.016 120.370 120.400 -0.024 0.000 2.439 460 K HA -0.062 4.258 4.320 0.001 0.000 0.197 460 K C 1.929 178.520 176.600 -0.015 0.000 1.041 460 K CA 0.832 57.108 56.287 -0.018 0.000 0.970 460 K CB -0.147 32.343 32.500 -0.016 0.000 0.773 460 K HN 0.589 nan 8.250 nan 0.000 0.479 461 Q N 0.087 119.877 119.800 -0.017 0.000 2.402 461 Q HA 0.160 4.501 4.340 0.001 0.000 0.206 461 Q C 0.322 176.313 176.000 -0.015 0.000 0.919 461 Q CA -0.144 55.650 55.803 -0.015 0.000 0.923 461 Q CB 0.240 28.970 28.738 -0.014 0.000 1.048 461 Q HN 0.199 nan 8.270 nan 0.000 0.515 462 L N 1.193 122.406 121.223 -0.016 0.000 2.506 462 L HA -0.050 4.290 4.340 0.001 0.000 0.281 462 L C 0.563 177.432 176.870 -0.002 0.000 1.228 462 L CA 0.005 54.837 54.840 -0.013 0.000 0.850 462 L CB 0.238 42.287 42.059 -0.017 0.000 1.110 462 L HN 0.159 nan 8.230 nan 0.000 0.496 463 S N -0.049 115.654 115.700 0.005 0.000 3.549 463 S HA -0.229 4.241 4.470 0.001 0.000 0.366 463 S C 0.313 174.902 174.600 -0.019 0.000 1.012 463 S CA 0.730 58.937 58.200 0.013 0.000 1.141 463 S CB -1.099 62.148 63.200 0.079 0.000 0.910 463 S HN 0.966 nan 8.310 nan 0.000 0.471 464 C N -1.599 117.684 119.300 -0.027 0.000 3.877 464 C HA 0.333 4.794 4.460 0.001 0.000 0.391 464 C C 0.420 175.394 174.990 -0.027 0.000 1.417 464 C CA 0.849 59.849 59.018 -0.030 0.000 2.039 464 C CB 0.436 28.165 27.740 -0.018 0.000 2.409 464 C HN 1.257 nan 8.230 nan 0.000 0.448 465 C N 2.204 121.492 119.300 -0.019 0.000 3.090 465 C HA 0.823 5.284 4.460 0.001 0.000 0.227 465 C C 0.652 175.635 174.990 -0.011 0.000 1.753 465 C CA 0.241 59.250 59.018 -0.015 0.000 1.152 465 C CB -1.195 26.537 27.740 -0.013 0.000 2.036 465 C HN 0.908 nan 8.230 nan 0.000 0.610 466 A N 0.318 123.132 122.820 -0.011 0.000 2.500 466 A HA 0.706 5.026 4.320 0.001 0.000 0.267 466 A C 1.000 178.583 177.584 -0.002 0.000 1.290 466 A CA 0.622 52.654 52.037 -0.008 0.000 0.928 466 A CB -0.213 18.780 19.000 -0.012 0.000 1.066 466 A HN 0.930 nan 8.150 nan 0.000 0.516 467 G N 0.000 108.799 108.800 -0.001 0.000 5.446 467 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 467 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 467 G CA 0.000 45.103 45.100 0.006 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925