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 2flo_1_D DATA FIRST_RESID 11 DATA SEQUENCE QEFAAVDLGS NSFHXVIARV VDGAXQIIGR LKQRVHLADG LGPDNXLSEE DATA SEQUENCE AXTRGLNCLS LFAERLQGFS PASVCIVGTH TLRQALNATD FLKRAEKVIP DATA SEQUENCE YPIEIISGNE EARLIFXGVE HTQPEKGRKL VIDIGGGSTE LVIGENFEPI DATA SEQUENCE LVESRRXGCV SFAQLYFPGG VINKENFQRA RXAAAQKLET LTWQFRIQGW DATA SEQUENCE NVAXGASGTI KAAHEVLXEX GEKDGIITPE RLEKLVKEVL RHRNFASLSL DATA SEQUENCE PGLSEERKTV FVPGLAILCG VFDALAIREL RLSDGALREG VLYEXEGRFR DATA SEQUENCE HQDVRSRTAS SLANQYHIDS EQARRVLDTT XQXYEQWREQ QPKLAHPQLE DATA SEQUENCE ALLRWAAXLH EVGLNINHSG LHRHSAYILQ NSDLPGFNQE QQLXXATLVR DATA SEQUENCE YHRKAIKLDD LPRFTLFKKK QFLPLIQLLR LGVLLNNQRQ ATTTPPTLTL DATA SEQUENCE ITDDSHWTLR FPHDWFSQNA LVLLDLEKEQ EYWEGVAGWR LKIEEE 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 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 175.869 176.000 -0.219 0.000 1.003 11 Q CA 0.000 55.690 55.803 -0.189 0.000 1.022 11 Q CB 0.000 28.556 28.738 -0.303 0.000 1.108 12 E N 2.909 122.952 120.200 -0.261 0.000 2.222 12 E HA 0.790 5.141 4.350 0.001 0.000 0.272 12 E C -0.741 175.789 176.600 -0.117 0.000 0.982 12 E CA -0.760 55.429 56.400 -0.352 0.000 0.842 12 E CB 1.259 30.831 29.700 -0.212 0.000 1.144 12 E HN 0.452 nan 8.360 nan 0.000 0.397 13 F N -0.865 119.122 119.950 0.062 0.000 2.601 13 F HA 0.792 5.319 4.527 0.001 0.000 0.309 13 F C -0.858 174.950 175.800 0.014 0.000 1.089 13 F CA -1.362 56.678 58.000 0.067 0.000 0.940 13 F CB 1.212 40.171 39.000 -0.068 0.000 1.273 13 F HN 0.406 nan 8.300 nan 0.000 0.450 14 A N 1.310 124.183 122.820 0.089 0.000 2.365 14 A HA 0.950 5.271 4.320 0.001 0.000 0.318 14 A C -1.175 176.355 177.584 -0.090 0.000 1.091 14 A CA -0.564 51.388 52.037 -0.142 0.000 0.763 14 A CB 1.234 19.971 19.000 -0.439 0.000 1.248 14 A HN 1.564 nan 8.150 nan 0.000 0.442 15 A N 1.560 124.323 122.820 -0.094 0.000 2.330 15 A HA 0.684 5.005 4.320 0.001 0.000 0.313 15 A C -0.891 176.642 177.584 -0.086 0.000 1.124 15 A CA -0.444 51.556 52.037 -0.060 0.000 0.774 15 A CB 1.071 20.061 19.000 -0.016 0.000 1.198 15 A HN 1.194 nan 8.150 nan 0.000 0.465 16 V N 2.231 122.111 119.914 -0.058 0.000 2.495 16 V HA 0.433 4.554 4.120 0.001 0.000 0.298 16 V C -0.858 175.250 176.094 0.023 0.000 1.031 16 V CA -0.509 61.779 62.300 -0.021 0.000 0.871 16 V CB 1.805 33.638 31.823 0.017 0.000 0.988 16 V HN 0.966 nan 8.190 nan 0.000 0.432 17 D N 4.268 124.717 120.400 0.082 0.000 2.414 17 D HA 0.433 5.074 4.640 0.001 0.000 0.232 17 D C -0.521 175.834 176.300 0.092 0.000 1.070 17 D CA -0.324 53.729 54.000 0.088 0.000 0.839 17 D CB 1.117 41.974 40.800 0.096 0.000 1.079 17 D HN 0.463 nan 8.370 nan 0.000 0.521 18 L N 4.213 125.372 121.223 -0.106 0.000 2.328 18 L HA 0.533 4.874 4.340 0.001 0.000 0.280 18 L C 1.118 178.003 176.870 0.026 0.000 1.111 18 L CA -0.730 53.877 54.840 -0.389 0.000 0.909 18 L CB 0.728 42.369 42.059 -0.697 0.000 1.277 18 L HN 0.421 nan 8.230 nan 0.000 0.433 19 G N 0.938 109.904 108.800 0.277 0.000 2.568 19 G HA2 0.311 4.272 3.960 0.001 0.000 0.293 19 G HA3 0.311 4.272 3.960 0.001 0.000 0.293 19 G C 0.649 175.703 174.900 0.258 0.000 1.347 19 G CA -0.312 44.946 45.100 0.263 0.000 1.039 19 G HN 0.441 nan 8.290 nan 0.000 0.523 20 S N -0.211 115.601 115.700 0.187 0.000 2.355 20 S HA -0.092 4.379 4.470 0.001 0.000 0.222 20 S C 1.987 176.646 174.600 0.098 0.000 1.031 20 S CA 0.996 59.283 58.200 0.146 0.000 0.993 20 S CB -0.132 63.144 63.200 0.125 0.000 0.859 20 S HN 0.567 nan 8.310 nan 0.000 0.453 21 N N 0.051 118.791 118.700 0.067 0.000 2.482 21 N HA 0.214 4.955 4.740 0.001 0.000 0.179 21 N C -0.089 175.284 175.510 -0.228 0.000 1.039 21 N CA 0.350 53.343 53.050 -0.095 0.000 0.884 21 N CB 0.502 38.956 38.487 -0.055 0.000 1.113 21 N HN 0.161 nan 8.380 nan 0.000 0.440 22 S N 0.067 115.733 115.700 -0.057 0.000 2.599 22 S HA 0.538 5.009 4.470 0.001 0.000 0.287 22 S C -1.189 173.464 174.600 0.088 0.000 1.105 22 S CA -0.595 57.480 58.200 -0.208 0.000 0.899 22 S CB 1.712 64.594 63.200 -0.529 0.000 1.100 22 S HN -0.057 nan 8.310 nan 0.000 0.482 23 F N 2.716 122.533 119.950 -0.222 0.000 2.408 23 F HA 0.496 5.023 4.527 0.001 0.000 0.344 23 F C 1.113 176.937 175.800 0.039 0.000 1.112 23 F CA -0.693 57.309 58.000 0.005 0.000 1.096 23 F CB 0.528 39.515 39.000 -0.022 0.000 1.129 23 F HN 0.535 nan 8.300 nan 0.000 0.486 27 I N 5.061 125.515 120.570 -0.193 0.000 2.509 27 I HA 0.938 5.109 4.170 0.001 0.000 0.293 27 I C 0.114 176.090 176.117 -0.236 0.000 1.020 27 I CA -0.354 60.818 61.300 -0.214 0.000 1.088 27 I CB 2.008 39.891 38.000 -0.194 0.000 1.267 27 I HN 0.851 nan 8.210 nan 0.000 0.430 28 A N 5.776 128.356 122.820 -0.399 0.000 2.566 28 A HA 0.980 5.300 4.320 0.001 0.000 0.292 28 A C -1.063 175.955 177.584 -0.944 0.000 1.112 28 A CA -0.742 50.985 52.037 -0.517 0.000 0.707 28 A CB 2.033 20.799 19.000 -0.391 0.000 1.302 28 A HN 0.831 nan 8.150 nan 0.000 0.409 29 R N -0.638 119.480 120.500 -0.638 0.000 2.781 29 R HA 0.747 5.088 4.340 0.001 0.000 0.269 29 R C -1.786 174.375 176.300 -0.232 0.000 1.025 29 R CA -0.897 54.871 56.100 -0.553 0.000 0.914 29 R CB 1.346 31.435 30.300 -0.353 0.000 1.236 29 R HN 0.356 nan 8.270 nan 0.000 0.465 30 V N 1.885 121.740 119.914 -0.097 0.000 2.368 30 V HA 0.296 4.417 4.120 0.001 0.000 0.266 30 V C -0.400 175.665 176.094 -0.048 0.000 1.045 30 V CA -0.630 61.647 62.300 -0.039 0.000 0.899 30 V CB 1.200 33.025 31.823 0.003 0.000 1.006 30 V HN 0.483 nan 8.190 nan 0.000 0.470 31 V N 4.706 124.595 119.914 -0.041 0.000 2.334 31 V HA 0.380 4.501 4.120 0.001 0.000 0.281 31 V C 0.186 176.274 176.094 -0.010 0.000 1.016 31 V CA -0.586 61.694 62.300 -0.032 0.000 0.832 31 V CB 1.027 32.826 31.823 -0.040 0.000 0.999 31 V HN 1.000 nan 8.190 nan 0.000 0.439 32 D N 4.645 125.042 120.400 -0.004 0.000 2.697 32 D HA -0.202 4.439 4.640 0.001 0.000 0.238 32 D C 1.279 177.590 176.300 0.017 0.000 1.152 32 D CA 1.397 55.401 54.000 0.007 0.000 0.666 32 D CB -0.911 39.892 40.800 0.006 0.000 1.037 32 D HN 1.364 nan 8.370 nan 0.000 0.423 33 G N -1.598 107.215 108.800 0.021 0.000 2.179 33 G HA2 -0.064 3.897 3.960 0.001 0.000 0.260 33 G HA3 -0.064 3.897 3.960 0.001 0.000 0.260 33 G C 0.360 175.289 174.900 0.047 0.000 0.977 33 G CA 0.825 45.946 45.100 0.035 0.000 0.641 33 G HN 1.234 nan 8.290 nan 0.000 0.533 37 I N 5.138 125.652 120.570 -0.093 0.000 2.452 37 I HA 0.069 4.240 4.170 0.001 0.000 0.287 37 I C 0.878 176.939 176.117 -0.094 0.000 1.079 37 I CA 0.331 61.571 61.300 -0.101 0.000 1.387 37 I CB 0.690 38.652 38.000 -0.065 0.000 1.404 37 I HN 0.752 nan 8.210 nan 0.000 0.522 38 I N 4.446 124.948 120.570 -0.114 0.000 4.139 38 I HA 0.316 4.487 4.170 0.001 0.000 0.320 38 I C 0.872 176.943 176.117 -0.076 0.000 1.290 38 I CA 0.290 61.534 61.300 -0.094 0.000 1.253 38 I CB 0.695 38.626 38.000 -0.115 0.000 1.122 38 I HN 0.635 nan 8.210 nan 0.000 0.421 39 G N 1.278 110.022 108.800 -0.092 0.000 2.742 39 G HA2 0.657 4.618 3.960 0.001 0.000 0.296 39 G HA3 0.657 4.618 3.960 0.001 0.000 0.296 39 G C -1.402 173.434 174.900 -0.106 0.000 1.436 39 G CA -0.721 44.325 45.100 -0.090 0.000 0.928 39 G HN 0.040 nan 8.290 nan 0.000 0.520 40 R N 0.440 120.887 120.500 -0.088 0.000 2.604 40 R HA 0.801 5.142 4.340 0.001 0.000 0.270 40 R C -2.582 173.674 176.300 -0.072 0.000 1.052 40 R CA -0.967 55.081 56.100 -0.086 0.000 0.902 40 R CB 2.112 32.385 30.300 -0.045 0.000 1.233 40 R HN 0.912 nan 8.270 nan 0.000 0.455 41 L N 1.700 122.868 121.223 -0.091 0.000 2.513 41 L HA 0.564 4.905 4.340 0.001 0.000 0.261 41 L C -1.841 175.060 176.870 0.052 0.000 0.945 41 L CA -0.249 54.573 54.840 -0.030 0.000 0.848 41 L CB 2.139 44.161 42.059 -0.061 0.000 1.334 41 L HN 0.898 nan 8.230 nan 0.000 0.407 42 K N 3.110 123.584 120.400 0.124 0.000 2.498 42 K HA 0.725 5.046 4.320 0.001 0.000 0.254 42 K C -1.610 175.043 176.600 0.088 0.000 0.933 42 K CA -0.840 55.529 56.287 0.136 0.000 0.806 42 K CB 2.249 34.768 32.500 0.032 0.000 1.301 42 K HN 0.586 nan 8.250 nan 0.000 0.432 43 Q N 2.046 121.871 119.800 0.041 0.000 2.356 43 Q HA 0.307 4.648 4.340 0.001 0.000 0.270 43 Q C -0.848 175.036 176.000 -0.193 0.000 1.058 43 Q CA -0.954 54.805 55.803 -0.073 0.000 0.802 43 Q CB 2.523 31.188 28.738 -0.122 0.000 1.303 43 Q HN 0.521 nan 8.270 nan 0.000 0.444 44 R N 2.048 122.434 120.500 -0.190 0.000 3.268 44 R HA 0.091 4.432 4.340 0.001 0.000 0.217 44 R C 0.925 177.027 176.300 -0.330 0.000 1.568 44 R CA -0.036 55.889 56.100 -0.292 0.000 1.322 44 R CB -0.094 30.074 30.300 -0.221 0.000 1.280 44 R HN 0.399 nan 8.270 nan 0.000 0.667 45 V N 0.772 120.432 119.914 -0.424 0.000 2.515 45 V HA -0.210 3.910 4.120 0.001 0.000 0.250 45 V C 0.810 176.768 176.094 -0.226 0.000 1.058 45 V CA 1.036 63.061 62.300 -0.458 0.000 1.064 45 V CB -0.687 30.518 31.823 -1.030 0.000 0.675 45 V HN 0.842 nan 8.190 nan 0.000 0.461 46 H N -1.819 117.146 119.070 -0.175 0.000 2.756 46 H HA -0.191 4.365 4.556 0.001 0.000 0.315 46 H C 1.289 176.559 175.328 -0.097 0.000 1.210 46 H CA 0.811 56.804 56.048 -0.091 0.000 1.150 46 H CB -1.286 28.434 29.762 -0.070 0.000 1.463 46 H HN 0.361 nan 8.280 nan 0.000 0.427 47 L N 0.299 121.496 121.223 -0.045 0.000 2.083 47 L HA -0.072 4.269 4.340 0.001 0.000 0.209 47 L C 2.454 179.326 176.870 0.004 0.000 1.083 47 L CA 2.206 57.014 54.840 -0.054 0.000 0.752 47 L CB -0.349 41.706 42.059 -0.006 0.000 0.899 47 L HN 0.457 nan 8.230 nan 0.000 0.433 48 A N -0.774 122.084 122.820 0.063 0.000 1.933 48 A HA -0.241 4.080 4.320 0.001 0.000 0.218 48 A C 1.919 179.547 177.584 0.073 0.000 1.175 48 A CA 1.917 54.004 52.037 0.084 0.000 0.628 48 A CB -0.863 18.210 19.000 0.121 0.000 0.814 48 A HN 0.513 nan 8.150 nan 0.000 0.444 49 D N -0.310 120.141 120.400 0.083 0.000 2.221 49 D HA -0.053 4.588 4.640 0.001 0.000 0.204 49 D C 1.873 178.185 176.300 0.019 0.000 0.982 49 D CA 1.310 55.341 54.000 0.052 0.000 0.857 49 D CB -0.459 40.358 40.800 0.027 0.000 0.934 49 D HN 0.460 nan 8.370 nan 0.000 0.475 50 G N -0.332 108.471 108.800 0.005 0.000 2.744 50 G HA2 -0.037 3.924 3.960 0.001 0.000 0.211 50 G HA3 -0.037 3.924 3.960 0.001 0.000 0.211 50 G C 0.448 175.339 174.900 -0.014 0.000 1.143 50 G CA -0.256 44.834 45.100 -0.017 0.000 0.788 50 G HN 0.164 nan 8.290 nan 0.000 0.534 51 L N 2.519 123.742 121.223 0.000 0.000 2.325 51 L HA 0.599 4.940 4.340 0.001 0.000 0.284 51 L C 1.000 177.877 176.870 0.012 0.000 1.089 51 L CA -0.439 54.403 54.840 0.003 0.000 0.836 51 L CB 0.470 42.538 42.059 0.015 0.000 1.184 51 L HN 0.009 nan 8.230 nan 0.000 0.444 52 G N 4.846 113.648 108.800 0.004 0.000 2.621 52 G HA2 0.331 4.292 3.960 0.001 0.000 0.271 52 G HA3 0.331 4.292 3.960 0.001 0.000 0.271 52 G C -1.832 173.074 174.900 0.009 0.000 1.236 52 G CA -0.759 44.344 45.100 0.006 0.000 0.958 52 G HN 0.624 nan 8.290 nan 0.000 0.512 53 P HA 0.012 nan 4.420 nan 0.000 0.226 53 P C 0.756 178.059 177.300 0.005 0.000 1.153 53 P CA 1.058 64.161 63.100 0.005 0.000 0.777 53 P CB 0.192 31.892 31.700 -0.000 0.000 0.794 54 D N -2.552 117.850 120.400 0.003 0.000 2.325 54 D HA 0.003 4.644 4.640 0.001 0.000 0.225 54 D C 0.173 176.474 176.300 0.002 0.000 1.096 54 D CA -0.480 53.522 54.000 0.002 0.000 0.844 54 D CB -0.888 39.913 40.800 0.001 0.000 0.925 54 D HN -0.066 nan 8.370 nan 0.000 0.513 58 S N 0.644 116.328 115.700 -0.028 0.000 2.584 58 S HA 0.184 4.655 4.470 0.001 0.000 0.270 58 S C 0.914 175.509 174.600 -0.008 0.000 1.346 58 S CA -0.470 57.721 58.200 -0.014 0.000 1.018 58 S CB 1.373 64.564 63.200 -0.016 0.000 0.899 58 S HN 0.667 nan 8.310 nan 0.000 0.542 59 E N 1.634 121.838 120.200 0.006 0.000 2.097 59 E HA -0.182 4.169 4.350 0.001 0.000 0.196 59 E C 2.089 178.696 176.600 0.012 0.000 1.000 59 E CA 1.730 58.141 56.400 0.019 0.000 0.804 59 E CB -0.326 29.384 29.700 0.017 0.000 0.740 59 E HN 0.825 nan 8.360 nan 0.000 0.454 60 E N 1.027 121.225 120.200 -0.003 0.000 2.051 60 E HA -0.080 4.271 4.350 0.001 0.000 0.192 60 E C 1.392 177.976 176.600 -0.026 0.000 0.991 60 E CA 0.743 57.135 56.400 -0.012 0.000 0.799 60 E CB -0.580 29.109 29.700 -0.018 0.000 0.748 60 E HN 0.128 nan 8.360 nan 0.000 0.449 64 R N 1.147 121.633 120.500 -0.025 0.000 2.091 64 R HA -0.023 4.318 4.340 0.001 0.000 0.238 64 R C 2.560 178.775 176.300 -0.142 0.000 1.136 64 R CA 1.895 57.939 56.100 -0.094 0.000 0.959 64 R CB -0.540 29.678 30.300 -0.136 0.000 0.856 64 R HN 0.437 nan 8.270 nan 0.000 0.437 65 G N 0.654 109.414 108.800 -0.067 0.000 2.402 65 G HA2 -0.209 3.752 3.960 0.001 0.000 0.216 65 G HA3 -0.209 3.752 3.960 0.001 0.000 0.216 65 G C 1.407 176.484 174.900 0.295 0.000 1.162 65 G CA 0.394 45.556 45.100 0.103 0.000 0.777 65 G HN 0.143 nan 8.290 nan 0.000 0.539 66 L N 0.452 121.825 121.223 0.249 0.000 2.056 66 L HA -0.038 4.303 4.340 0.001 0.000 0.207 66 L C 2.716 179.597 176.870 0.019 0.000 1.078 66 L CA 0.694 55.594 54.840 0.099 0.000 0.749 66 L CB -0.455 41.644 42.059 0.067 0.000 0.901 66 L HN 0.089 nan 8.230 nan 0.000 0.433 67 N N -0.277 118.421 118.700 -0.003 0.000 2.069 67 N HA -0.237 4.504 4.740 0.001 0.000 0.191 67 N C 1.940 177.401 175.510 -0.082 0.000 1.031 67 N CA 1.721 54.747 53.050 -0.039 0.000 0.852 67 N CB -0.851 37.608 38.487 -0.047 0.000 1.018 67 N HN 0.389 nan 8.380 nan 0.000 0.423 68 C N 0.948 120.163 119.300 -0.143 0.000 2.429 68 C HA 0.047 4.507 4.460 0.001 0.000 0.277 68 C C 2.686 177.452 174.990 -0.374 0.000 1.262 68 C CA 0.282 59.123 59.018 -0.294 0.000 1.733 68 C CB -1.211 26.279 27.740 -0.415 0.000 2.010 68 C HN 0.390 nan 8.230 nan 0.000 0.483 69 L N 1.744 122.871 121.223 -0.160 0.000 2.083 69 L HA -0.103 4.238 4.340 0.001 0.000 0.209 69 L C 2.857 179.732 176.870 0.009 0.000 1.083 69 L CA 1.941 56.738 54.840 -0.072 0.000 0.752 69 L CB -0.565 41.503 42.059 0.016 0.000 0.899 69 L HN 0.549 nan 8.230 nan 0.000 0.433 70 S N -0.038 115.656 115.700 -0.011 0.000 2.402 70 S HA -0.188 4.282 4.470 0.001 0.000 0.229 70 S C 1.911 176.544 174.600 0.054 0.000 1.021 70 S CA 0.868 59.077 58.200 0.016 0.000 0.974 70 S CB -0.685 62.513 63.200 -0.002 0.000 0.800 70 S HN 0.290 nan 8.310 nan 0.000 0.484 71 L N 0.637 121.887 121.223 0.046 0.000 2.012 71 L HA -0.011 4.330 4.340 0.001 0.000 0.210 71 L C 2.191 179.224 176.870 0.270 0.000 1.073 71 L CA 1.781 56.691 54.840 0.116 0.000 0.748 71 L CB -0.784 41.326 42.059 0.085 0.000 0.891 71 L HN 0.173 nan 8.230 nan 0.000 0.431 72 F N 0.133 120.113 119.950 0.049 0.000 2.134 72 F HA -0.154 4.373 4.527 0.001 0.000 0.299 72 F C 2.614 178.443 175.800 0.048 0.000 1.097 72 F CA 0.756 58.782 58.000 0.043 0.000 1.264 72 F CB -1.701 37.339 39.000 0.067 0.000 1.001 72 F HN 0.236 nan 8.300 nan 0.000 0.479 73 A N -0.003 122.971 122.820 0.257 0.000 1.917 73 A HA -0.247 4.073 4.320 0.001 0.000 0.219 73 A C 2.169 179.826 177.584 0.122 0.000 1.182 73 A CA 1.977 54.105 52.037 0.152 0.000 0.633 73 A CB -0.886 18.144 19.000 0.050 0.000 0.819 73 A HN 0.446 nan 8.150 nan 0.000 0.448 74 E N -1.083 119.182 120.200 0.108 0.000 2.023 74 E HA -0.254 4.096 4.350 0.001 0.000 0.196 74 E C 2.297 178.948 176.600 0.086 0.000 1.003 74 E CA 1.510 57.961 56.400 0.085 0.000 0.809 74 E CB -0.193 29.552 29.700 0.076 0.000 0.755 74 E HN 0.486 nan 8.360 nan 0.000 0.449 75 R N 1.001 121.548 120.500 0.078 0.000 2.127 75 R HA -0.093 4.248 4.340 0.001 0.000 0.238 75 R C 1.606 177.901 176.300 -0.008 0.000 1.134 75 R CA 1.179 57.294 56.100 0.026 0.000 0.975 75 R CB -0.213 30.076 30.300 -0.020 0.000 0.865 75 R HN 0.168 nan 8.270 nan 0.000 0.447 76 L N 1.887 123.113 121.223 0.005 0.000 2.653 76 L HA 0.143 4.484 4.340 0.001 0.000 0.231 76 L C 0.196 177.234 176.870 0.280 0.000 1.153 76 L CA -0.360 54.451 54.840 -0.049 0.000 0.933 76 L CB -0.223 41.794 42.059 -0.070 0.000 1.175 76 L HN 0.306 nan 8.230 nan 0.000 0.473 77 Q N 0.390 120.327 119.800 0.229 0.000 2.300 77 Q HA 0.205 4.546 4.340 0.001 0.000 0.280 77 Q C 0.884 177.052 176.000 0.280 0.000 1.033 77 Q CA 0.756 56.692 55.803 0.221 0.000 0.903 77 Q CB 0.595 29.411 28.738 0.131 0.000 1.195 77 Q HN 0.282 nan 8.270 nan 0.000 0.386 78 G N 2.426 111.370 108.800 0.240 0.000 2.194 78 G HA2 -0.261 3.700 3.960 0.001 0.000 0.236 78 G HA3 -0.261 3.700 3.960 0.001 0.000 0.236 78 G C -0.447 174.534 174.900 0.135 0.000 0.987 78 G CA -0.225 44.966 45.100 0.152 0.000 0.635 78 G HN 0.566 nan 8.290 nan 0.000 0.520 79 F N 3.070 123.086 119.950 0.110 0.000 2.420 79 F HA 0.568 5.096 4.527 0.001 0.000 0.352 79 F C 1.345 177.237 175.800 0.153 0.000 1.108 79 F CA -0.275 57.768 58.000 0.072 0.000 1.162 79 F CB 1.431 40.416 39.000 -0.025 0.000 1.118 79 F HN 0.258 nan 8.300 nan 0.000 0.510 80 S N 3.770 119.597 115.700 0.211 0.000 2.585 80 S HA 0.204 4.675 4.470 0.001 0.000 0.273 80 S C -1.919 172.820 174.600 0.232 0.000 1.339 80 S CA -1.080 57.254 58.200 0.224 0.000 1.028 80 S CB 1.027 64.307 63.200 0.133 0.000 0.906 80 S HN 0.387 nan 8.310 nan 0.000 0.528 81 P HA -0.130 nan 4.420 nan 0.000 0.217 81 P C 1.381 178.740 177.300 0.098 0.000 1.148 81 P CA 1.907 65.166 63.100 0.265 0.000 0.834 81 P CB -0.223 31.638 31.700 0.268 0.000 0.783 82 A N -1.140 121.743 122.820 0.105 0.000 2.066 82 A HA -0.065 4.256 4.320 0.001 0.000 0.218 82 A C 2.013 179.637 177.584 0.066 0.000 1.157 82 A CA 1.480 53.564 52.037 0.080 0.000 0.670 82 A CB -0.972 18.082 19.000 0.090 0.000 0.804 82 A HN 0.152 nan 8.150 nan 0.000 0.453 83 S N -0.972 114.774 115.700 0.078 0.000 2.575 83 S HA 0.318 4.789 4.470 0.001 0.000 0.215 83 S C 0.045 174.701 174.600 0.094 0.000 0.966 83 S CA -0.021 58.260 58.200 0.134 0.000 0.911 83 S CB 0.200 63.509 63.200 0.182 0.000 0.780 83 S HN 0.190 nan 8.310 nan 0.000 0.514 84 V N 1.052 120.914 119.914 -0.087 0.000 2.638 84 V HA 0.456 4.577 4.120 0.001 0.000 0.306 84 V C -0.717 175.288 176.094 -0.148 0.000 1.052 84 V CA -1.087 61.061 62.300 -0.253 0.000 0.885 84 V CB 1.592 32.925 31.823 -0.816 0.000 0.999 84 V HN 0.320 nan 8.190 nan 0.000 0.424 85 C N 7.089 126.329 119.300 -0.100 0.000 2.346 85 C HA 0.676 5.137 4.460 0.001 0.000 0.326 85 C C -0.460 174.506 174.990 -0.040 0.000 1.224 85 C CA -0.432 58.557 59.018 -0.048 0.000 1.408 85 C CB -0.633 27.093 27.740 -0.023 0.000 2.089 85 C HN 0.810 nan 8.230 nan 0.000 0.456 86 I N 7.287 127.849 120.570 -0.014 0.000 2.321 86 I HA 0.473 4.644 4.170 0.001 0.000 0.291 86 I C 0.098 176.216 176.117 0.002 0.000 0.998 86 I CA -0.391 60.910 61.300 0.002 0.000 1.227 86 I CB 1.497 39.519 38.000 0.036 0.000 1.368 86 I HN 0.581 nan 8.210 nan 0.000 0.466 87 V N 2.586 122.498 119.914 -0.002 0.000 2.555 87 V HA 0.917 5.038 4.120 0.001 0.000 0.302 87 V C 0.139 176.231 176.094 -0.003 0.000 1.038 87 V CA -0.435 61.869 62.300 0.006 0.000 0.887 87 V CB 1.380 33.214 31.823 0.018 0.000 0.991 87 V HN 0.792 nan 8.190 nan 0.000 0.434 88 G N 2.321 111.128 108.800 0.011 0.000 2.388 88 G HA2 0.699 4.660 3.960 0.001 0.000 0.330 88 G HA3 0.699 4.660 3.960 0.001 0.000 0.330 88 G C -0.083 174.837 174.900 0.034 0.000 1.142 88 G CA 0.159 45.270 45.100 0.017 0.000 0.908 88 G HN 1.283 nan 8.290 nan 0.000 0.473 89 T N -1.220 113.362 114.554 0.047 0.000 2.586 89 T HA 0.242 4.593 4.350 0.001 0.000 0.224 89 T C 1.461 176.206 174.700 0.076 0.000 0.878 89 T CA 0.266 62.407 62.100 0.068 0.000 1.153 89 T CB 0.219 69.138 68.868 0.084 0.000 1.777 89 T HN 0.516 nan 8.240 nan 0.000 0.522 90 H N 0.806 119.896 119.070 0.032 0.000 2.289 90 H HA -0.090 4.467 4.556 0.001 0.000 0.294 90 H C 2.031 177.378 175.328 0.031 0.000 1.095 90 H CA 3.060 59.125 56.048 0.029 0.000 1.256 90 H CB -0.934 28.843 29.762 0.024 0.000 1.359 90 H HN 0.563 nan 8.280 nan 0.000 0.487 91 T N 0.753 115.311 114.554 0.007 0.000 2.720 91 T HA -0.137 4.214 4.350 0.001 0.000 0.268 91 T C 2.202 176.839 174.700 -0.105 0.000 1.037 91 T CA 1.560 63.631 62.100 -0.049 0.000 1.144 91 T CB -0.300 68.605 68.868 0.062 0.000 0.864 91 T HN 0.260 nan 8.240 nan 0.000 0.444 92 L N 0.100 121.294 121.223 -0.049 0.000 2.217 92 L HA 0.049 4.390 4.340 0.001 0.000 0.211 92 L C 2.839 179.680 176.870 -0.049 0.000 1.107 92 L CA 0.869 55.695 54.840 -0.025 0.000 0.783 92 L CB -0.368 41.713 42.059 0.037 0.000 0.919 92 L HN 0.144 nan 8.230 nan 0.000 0.442 93 R N -0.457 119.988 120.500 -0.092 0.000 2.096 93 R HA -0.181 4.160 4.340 0.001 0.000 0.235 93 R C 2.183 178.400 176.300 -0.138 0.000 1.127 93 R CA 1.217 57.258 56.100 -0.098 0.000 0.968 93 R CB -0.149 30.096 30.300 -0.091 0.000 0.861 93 R HN 0.436 nan 8.270 nan 0.000 0.440 94 Q N 0.188 119.842 119.800 -0.243 0.000 2.250 94 Q HA 0.122 4.463 4.340 0.001 0.000 0.200 94 Q C -0.075 175.863 176.000 -0.103 0.000 0.941 94 Q CA 0.097 55.775 55.803 -0.209 0.000 0.872 94 Q CB 0.426 28.951 28.738 -0.355 0.000 0.965 94 Q HN 0.206 nan 8.270 nan 0.000 0.480 95 A N 1.164 123.931 122.820 -0.088 0.000 2.522 95 A HA 0.035 4.356 4.320 0.001 0.000 0.256 95 A C 0.865 178.434 177.584 -0.024 0.000 1.086 95 A CA 0.077 52.086 52.037 -0.046 0.000 0.763 95 A CB 0.039 19.012 19.000 -0.044 0.000 1.024 95 A HN 0.474 nan 8.150 nan 0.000 0.502 96 L N 1.853 123.067 121.223 -0.015 0.000 2.362 96 L HA -0.106 4.235 4.340 0.001 0.000 0.219 96 L C 1.385 178.258 176.870 0.006 0.000 1.134 96 L CA 1.039 55.875 54.840 -0.006 0.000 0.807 96 L CB -0.326 41.730 42.059 -0.004 0.000 0.927 96 L HN 0.937 nan 8.230 nan 0.000 0.447 97 N N -0.303 118.405 118.700 0.014 0.000 2.321 97 N HA 0.109 4.850 4.740 0.001 0.000 0.242 97 N C 1.056 176.606 175.510 0.067 0.000 1.141 97 N CA 0.463 53.534 53.050 0.035 0.000 0.864 97 N CB 0.236 38.745 38.487 0.037 0.000 1.100 97 N HN 0.025 nan 8.380 nan 0.000 0.510 98 A N 0.440 123.294 122.820 0.057 0.000 1.978 98 A HA -0.187 4.134 4.320 0.001 0.000 0.220 98 A C 2.258 179.922 177.584 0.134 0.000 1.170 98 A CA 2.089 54.188 52.037 0.104 0.000 0.636 98 A CB -1.085 17.952 19.000 0.062 0.000 0.810 98 A HN 0.493 nan 8.150 nan 0.000 0.448 99 T N -1.405 113.195 114.554 0.076 0.000 2.904 99 T HA -0.154 4.197 4.350 0.001 0.000 0.267 99 T C 1.626 176.364 174.700 0.064 0.000 1.059 99 T CA 1.829 63.963 62.100 0.057 0.000 1.137 99 T CB -0.415 68.466 68.868 0.021 0.000 0.879 99 T HN 0.419 nan 8.240 nan 0.000 0.467 100 D N -0.118 120.330 120.400 0.081 0.000 2.104 100 D HA -0.104 4.537 4.640 0.001 0.000 0.194 100 D C 1.672 178.043 176.300 0.119 0.000 0.994 100 D CA 1.010 55.061 54.000 0.084 0.000 0.830 100 D CB -0.578 40.273 40.800 0.085 0.000 0.959 100 D HN 0.457 nan 8.370 nan 0.000 0.452 101 F N 0.279 120.239 119.950 0.017 0.000 2.102 101 F HA -0.081 4.447 4.527 0.001 0.000 0.298 101 F C 1.936 177.750 175.800 0.023 0.000 1.105 101 F CA 0.882 58.897 58.000 0.026 0.000 1.239 101 F CB -0.424 38.599 39.000 0.039 0.000 0.991 101 F HN -0.028 nan 8.300 nan 0.000 0.474 102 L N 0.372 121.571 121.223 -0.040 0.000 2.083 102 L HA -0.185 4.156 4.340 0.001 0.000 0.209 102 L C 2.372 179.161 176.870 -0.134 0.000 1.083 102 L CA 1.681 56.440 54.840 -0.135 0.000 0.752 102 L CB -1.080 40.970 42.059 -0.015 0.000 0.899 102 L HN 0.013 nan 8.230 nan 0.000 0.433 103 K N -0.535 119.825 120.400 -0.067 0.000 2.025 103 K HA -0.074 4.246 4.320 0.001 0.000 0.207 103 K C 2.239 178.794 176.600 -0.075 0.000 1.049 103 K CA 1.207 57.466 56.287 -0.047 0.000 0.933 103 K CB -0.062 32.434 32.500 -0.006 0.000 0.714 103 K HN 0.112 nan 8.250 nan 0.000 0.438 104 R N -0.447 119.999 120.500 -0.090 0.000 2.091 104 R HA -0.082 4.259 4.340 0.001 0.000 0.238 104 R C 2.220 178.420 176.300 -0.167 0.000 1.136 104 R CA 1.308 57.348 56.100 -0.100 0.000 0.959 104 R CB -0.440 29.822 30.300 -0.064 0.000 0.856 104 R HN 0.198 nan 8.270 nan 0.000 0.437 105 A N 1.442 124.082 122.820 -0.301 0.000 2.070 105 A HA -0.172 4.148 4.320 0.001 0.000 0.220 105 A C 1.696 179.172 177.584 -0.179 0.000 1.159 105 A CA 1.227 53.079 52.037 -0.308 0.000 0.656 105 A CB -0.280 18.422 19.000 -0.497 0.000 0.800 105 A HN 0.362 nan 8.150 nan 0.000 0.453 106 E N -0.089 120.027 120.200 -0.140 0.000 2.338 106 E HA -0.137 4.213 4.350 0.001 0.000 0.197 106 E C 1.535 178.084 176.600 -0.085 0.000 1.007 106 E CA 0.875 57.216 56.400 -0.099 0.000 0.849 106 E CB -0.090 29.568 29.700 -0.070 0.000 0.774 106 E HN 0.604 nan 8.360 nan 0.000 0.506 107 K N 0.437 120.789 120.400 -0.080 0.000 2.365 107 K HA -0.039 4.282 4.320 0.001 0.000 0.197 107 K C 1.939 178.501 176.600 -0.064 0.000 1.042 107 K CA 0.982 57.233 56.287 -0.061 0.000 0.987 107 K CB 0.507 32.979 32.500 -0.047 0.000 0.779 107 K HN 0.110 nan 8.250 nan 0.000 0.484 108 V N -2.514 117.352 119.914 -0.080 0.000 3.572 108 V HA 0.354 4.475 4.120 0.001 0.000 0.260 108 V C 0.499 176.547 176.094 -0.076 0.000 1.324 108 V CA -0.304 61.956 62.300 -0.066 0.000 1.068 108 V CB 0.274 32.064 31.823 -0.054 0.000 0.837 108 V HN 0.055 nan 8.190 nan 0.000 0.450 109 I N 2.117 122.622 120.570 -0.108 0.000 2.534 109 I HA 0.541 4.712 4.170 0.001 0.000 0.288 109 I C -2.457 173.505 176.117 -0.259 0.000 1.077 109 I CA -2.221 58.989 61.300 -0.151 0.000 1.051 109 I CB 3.192 41.171 38.000 -0.035 0.000 1.234 109 I HN -0.057 nan 8.210 nan 0.000 0.425 110 P HA 0.146 nan 4.420 nan 0.000 0.253 110 P C -1.284 175.723 177.300 -0.487 0.000 1.459 110 P CA 0.300 63.116 63.100 -0.474 0.000 0.908 110 P CB -0.392 31.018 31.700 -0.483 0.000 1.470 111 Y N 1.242 121.542 120.300 0.001 0.000 2.376 111 Y HA 0.435 4.986 4.550 0.001 0.000 0.340 111 Y C -1.996 173.885 175.900 -0.031 0.000 0.965 111 Y CA -3.916 54.181 58.100 -0.004 0.000 1.078 111 Y CB 0.536 39.002 38.460 0.010 0.000 1.193 111 Y HN -0.128 nan 8.280 nan 0.000 0.452 112 P HA 0.128 nan 4.420 nan 0.000 0.268 112 P C -0.318 176.992 177.300 0.016 0.000 1.205 112 P CA 0.153 63.256 63.100 0.004 0.000 0.771 112 P CB 1.164 32.833 31.700 -0.052 0.000 0.858 113 I N 2.705 123.268 120.570 -0.012 0.000 2.396 113 I HA 0.079 4.250 4.170 0.001 0.000 0.289 113 I C 0.918 177.033 176.117 -0.003 0.000 1.056 113 I CA 0.137 61.434 61.300 -0.004 0.000 1.365 113 I CB 0.079 38.074 38.000 -0.009 0.000 1.407 113 I HN 0.215 nan 8.210 nan 0.000 0.509 114 E N 7.435 127.638 120.200 0.006 0.000 2.028 114 E HA 0.364 4.715 4.350 0.001 0.000 0.266 114 E C -0.524 176.092 176.600 0.027 0.000 0.962 114 E CA -0.426 55.982 56.400 0.013 0.000 0.784 114 E CB 0.988 30.698 29.700 0.017 0.000 1.114 114 E HN 0.498 nan 8.360 nan 0.000 0.414 115 I N 5.038 125.628 120.570 0.033 0.000 2.618 115 I HA 0.070 4.240 4.170 0.001 0.000 0.284 115 I C 0.549 176.694 176.117 0.047 0.000 1.146 115 I CA 0.151 61.473 61.300 0.038 0.000 1.425 115 I CB 0.010 38.032 38.000 0.036 0.000 1.383 115 I HN 0.438 nan 8.210 nan 0.000 0.562 116 I N 2.602 123.200 120.570 0.047 0.000 2.740 116 I HA 0.551 4.722 4.170 0.001 0.000 0.303 116 I C 0.343 176.491 176.117 0.051 0.000 1.044 116 I CA -0.746 60.587 61.300 0.055 0.000 1.064 116 I CB 1.997 40.030 38.000 0.055 0.000 1.249 116 I HN 0.574 nan 8.210 nan 0.000 0.433 117 S N 2.921 118.652 115.700 0.053 0.000 2.589 117 S HA 0.248 4.719 4.470 0.001 0.000 0.265 117 S C 1.314 175.946 174.600 0.053 0.000 1.342 117 S CA -0.041 58.187 58.200 0.047 0.000 1.005 117 S CB 1.068 64.293 63.200 0.041 0.000 0.909 117 S HN 1.040 nan 8.310 nan 0.000 0.555 118 G N 1.550 110.382 108.800 0.055 0.000 2.469 118 G HA2 -0.272 3.689 3.960 0.001 0.000 0.219 118 G HA3 -0.272 3.689 3.960 0.001 0.000 0.219 118 G C 1.245 176.174 174.900 0.048 0.000 1.150 118 G CA 0.911 46.045 45.100 0.057 0.000 0.763 118 G HN 0.727 nan 8.290 nan 0.000 0.561 119 N N 0.308 119.035 118.700 0.044 0.000 2.216 119 N HA -0.025 4.715 4.740 0.001 0.000 0.183 119 N C 2.034 177.573 175.510 0.047 0.000 1.017 119 N CA 1.181 54.256 53.050 0.042 0.000 0.861 119 N CB -0.288 38.220 38.487 0.035 0.000 0.986 119 N HN 0.368 nan 8.380 nan 0.000 0.428 120 E N 1.362 121.594 120.200 0.054 0.000 2.077 120 E HA -0.150 4.201 4.350 0.001 0.000 0.193 120 E C 1.750 178.389 176.600 0.065 0.000 0.989 120 E CA 1.094 57.532 56.400 0.062 0.000 0.800 120 E CB -0.128 29.613 29.700 0.068 0.000 0.746 120 E HN 0.429 nan 8.360 nan 0.000 0.452 121 E N -0.472 119.764 120.200 0.060 0.000 2.058 121 E HA -0.239 4.112 4.350 0.001 0.000 0.194 121 E C 1.930 178.569 176.600 0.065 0.000 0.997 121 E CA 1.154 57.589 56.400 0.059 0.000 0.801 121 E CB -0.244 29.489 29.700 0.055 0.000 0.746 121 E HN 0.323 nan 8.360 nan 0.000 0.450 122 A N 1.338 124.195 122.820 0.060 0.000 1.883 122 A HA -0.203 4.118 4.320 0.001 0.000 0.217 122 A C 2.184 179.827 177.584 0.098 0.000 1.186 122 A CA 1.605 53.681 52.037 0.066 0.000 0.624 122 A CB -0.539 18.491 19.000 0.049 0.000 0.822 122 A HN 0.196 nan 8.150 nan 0.000 0.444 123 R N -0.790 119.762 120.500 0.088 0.000 2.091 123 R HA -0.083 4.258 4.340 0.001 0.000 0.238 123 R C 2.058 178.477 176.300 0.198 0.000 1.136 123 R CA 1.550 57.726 56.100 0.127 0.000 0.959 123 R CB -0.489 29.864 30.300 0.089 0.000 0.856 123 R HN 0.533 nan 8.270 nan 0.000 0.437 124 L N 0.115 121.422 121.223 0.141 0.000 2.109 124 L HA -0.137 4.204 4.340 0.001 0.000 0.207 124 L C 2.288 179.236 176.870 0.129 0.000 1.086 124 L CA 0.985 55.905 54.840 0.132 0.000 0.760 124 L CB -0.249 41.866 42.059 0.092 0.000 0.910 124 L HN 0.174 nan 8.230 nan 0.000 0.437 125 I N -1.048 119.592 120.570 0.117 0.000 2.179 125 I HA -0.261 3.910 4.170 0.001 0.000 0.242 125 I C 1.529 177.710 176.117 0.106 0.000 1.088 125 I CA 0.652 62.005 61.300 0.090 0.000 1.357 125 I CB -0.127 37.915 38.000 0.071 0.000 1.051 125 I HN 0.063 nan 8.210 nan 0.000 0.409 129 V N 1.519 121.350 119.914 -0.139 0.000 2.323 129 V HA -0.039 4.082 4.120 0.001 0.000 0.244 129 V C 2.620 178.529 176.094 -0.309 0.000 1.041 129 V CA 2.243 64.423 62.300 -0.199 0.000 1.025 129 V CB -0.166 31.531 31.823 -0.209 0.000 0.656 129 V HN 0.262 nan 8.190 nan 0.000 0.451 130 E N -0.480 119.405 120.200 -0.525 0.000 2.118 130 E HA -0.210 4.141 4.350 0.001 0.000 0.195 130 E C 2.089 178.414 176.600 -0.459 0.000 0.992 130 E CA 1.241 57.218 56.400 -0.705 0.000 0.804 130 E CB -0.272 28.762 29.700 -1.111 0.000 0.741 130 E HN 0.673 nan 8.360 nan 0.000 0.458 131 H N -0.734 118.192 119.070 -0.240 0.000 2.551 131 H HA 0.058 4.615 4.556 0.001 0.000 0.266 131 H C 1.843 177.041 175.328 -0.217 0.000 0.964 131 H CA 1.570 57.436 56.048 -0.304 0.000 1.180 131 H CB 0.565 29.704 29.762 -1.038 0.000 1.408 131 H HN 0.253 nan 8.280 nan 0.000 0.563 132 T N -2.476 112.053 114.554 -0.043 0.000 2.955 132 T HA 0.105 4.456 4.350 0.001 0.000 0.251 132 T C 0.743 175.427 174.700 -0.026 0.000 1.002 132 T CA -0.296 61.808 62.100 0.006 0.000 0.970 132 T CB 0.709 69.595 68.868 0.030 0.000 1.091 132 T HN -0.088 nan 8.240 nan 0.000 0.495 133 Q N 2.011 121.763 119.800 -0.079 0.000 2.256 133 Q HA 0.380 4.721 4.340 0.001 0.000 0.257 133 Q C -1.861 174.090 176.000 -0.083 0.000 0.936 133 Q CA -2.604 53.152 55.803 -0.079 0.000 0.903 133 Q CB 1.842 30.518 28.738 -0.102 0.000 1.263 133 Q HN 0.159 nan 8.270 nan 0.000 0.440 134 P HA -0.082 nan 4.420 nan 0.000 0.222 134 P C -0.409 176.856 177.300 -0.058 0.000 1.153 134 P CA 0.540 63.614 63.100 -0.044 0.000 0.798 134 P CB 0.614 32.302 31.700 -0.021 0.000 0.796 135 E N 0.817 120.979 120.200 -0.063 0.000 2.459 135 E HA 0.048 4.398 4.350 0.001 0.000 0.264 135 E C 0.526 177.077 176.600 -0.081 0.000 1.055 135 E CA 0.745 57.111 56.400 -0.058 0.000 0.957 135 E CB 0.268 29.939 29.700 -0.048 0.000 0.952 135 E HN 0.077 nan 8.360 nan 0.000 0.448 136 K N 0.680 121.046 120.400 -0.058 0.000 2.352 136 K HA 0.688 5.009 4.320 0.001 0.000 0.240 136 K C 0.329 176.902 176.600 -0.045 0.000 1.017 136 K CA -0.238 56.011 56.287 -0.064 0.000 0.851 136 K CB 1.833 34.306 32.500 -0.045 0.000 1.261 136 K HN 0.703 nan 8.250 nan 0.000 0.451 137 G N 1.127 109.899 108.800 -0.047 0.000 2.542 137 G HA2 -0.277 3.684 3.960 0.001 0.000 0.235 137 G HA3 -0.277 3.684 3.960 0.001 0.000 0.235 137 G C -0.791 174.101 174.900 -0.014 0.000 1.286 137 G CA -0.190 44.895 45.100 -0.026 0.000 0.904 137 G HN 0.611 nan 8.290 nan 0.000 0.577 138 R N 0.979 121.488 120.500 0.015 0.000 2.234 138 R HA 0.540 4.881 4.340 0.001 0.000 0.324 138 R C 0.163 176.524 176.300 0.102 0.000 1.054 138 R CA -0.204 55.924 56.100 0.048 0.000 0.912 138 R CB 0.236 30.560 30.300 0.039 0.000 1.030 138 R HN 0.500 nan 8.270 nan 0.000 0.455 139 K N 4.218 124.679 120.400 0.101 0.000 2.164 139 K HA 0.281 4.602 4.320 0.001 0.000 0.258 139 K C -0.986 175.653 176.600 0.065 0.000 0.951 139 K CA -0.997 55.343 56.287 0.089 0.000 0.844 139 K CB 1.655 34.182 32.500 0.044 0.000 1.099 139 K HN 0.315 nan 8.250 nan 0.000 0.435 140 L N 2.654 123.821 121.223 -0.093 0.000 2.275 140 L HA 0.349 4.689 4.340 0.001 0.000 0.288 140 L C -1.193 175.564 176.870 -0.188 0.000 1.046 140 L CA -0.385 54.289 54.840 -0.276 0.000 0.805 140 L CB 1.483 42.987 42.059 -0.925 0.000 1.193 140 L HN 0.338 nan 8.230 nan 0.000 0.426 141 V N 6.858 126.735 119.914 -0.061 0.000 2.409 141 V HA 0.488 4.608 4.120 0.001 0.000 0.291 141 V C 0.024 176.095 176.094 -0.039 0.000 1.020 141 V CA -0.402 61.888 62.300 -0.017 0.000 0.848 141 V CB 1.420 33.313 31.823 0.116 0.000 0.990 141 V HN 0.637 nan 8.190 nan 0.000 0.430 142 I N 3.961 124.488 120.570 -0.072 0.000 2.404 142 I HA 0.537 4.707 4.170 0.001 0.000 0.293 142 I C -0.710 175.383 176.117 -0.041 0.000 0.992 142 I CA -0.306 60.953 61.300 -0.069 0.000 1.149 142 I CB 1.954 39.898 38.000 -0.094 0.000 1.315 142 I HN 0.512 nan 8.210 nan 0.000 0.446 143 D N 7.567 127.945 120.400 -0.037 0.000 2.542 143 D HA 0.417 5.058 4.640 0.001 0.000 0.252 143 D C -0.949 175.320 176.300 -0.051 0.000 1.222 143 D CA -0.324 53.657 54.000 -0.033 0.000 0.895 143 D CB 1.618 42.408 40.800 -0.017 0.000 1.207 143 D HN 0.348 nan 8.370 nan 0.000 0.558 144 I N 2.955 123.492 120.570 -0.055 0.000 2.315 144 I HA 0.441 4.612 4.170 0.001 0.000 0.291 144 I C 1.187 177.263 176.117 -0.068 0.000 1.006 144 I CA -0.399 60.852 61.300 -0.081 0.000 1.265 144 I CB 1.778 39.724 38.000 -0.090 0.000 1.387 144 I HN 0.278 nan 8.210 nan 0.000 0.475 145 G N 3.141 111.891 108.800 -0.083 0.000 2.938 145 G HA2 0.459 4.420 3.960 0.001 0.000 0.258 145 G HA3 0.459 4.420 3.960 0.001 0.000 0.258 145 G C 0.837 175.696 174.900 -0.068 0.000 1.356 145 G CA -0.180 44.887 45.100 -0.056 0.000 1.052 145 G HN 0.659 nan 8.290 nan 0.000 0.550 146 G N -1.341 107.443 108.800 -0.027 0.000 2.430 146 G HA2 0.294 4.255 3.960 0.001 0.000 0.216 146 G HA3 0.294 4.255 3.960 0.001 0.000 0.216 146 G C 1.153 176.016 174.900 -0.063 0.000 1.146 146 G CA 1.543 46.637 45.100 -0.010 0.000 0.793 146 G HN 1.129 nan 8.290 nan 0.000 0.537 147 G N -0.941 107.767 108.800 -0.154 0.000 2.663 147 G HA2 0.402 4.362 3.960 0.001 0.000 0.200 147 G HA3 0.402 4.362 3.960 0.001 0.000 0.200 147 G C 0.357 174.773 174.900 -0.806 0.000 1.114 147 G CA 1.018 45.830 45.100 -0.480 0.000 0.861 147 G HN 0.849 nan 8.290 nan 0.000 0.702 148 S N -0.692 114.758 115.700 -0.416 0.000 2.618 148 S HA 0.753 5.224 4.470 0.001 0.000 0.277 148 S C -1.233 173.268 174.600 -0.165 0.000 1.138 148 S CA -0.506 57.530 58.200 -0.273 0.000 0.844 148 S CB 2.300 65.425 63.200 -0.124 0.000 1.127 148 S HN -0.021 nan 8.310 nan 0.000 0.474 149 T N 1.982 116.452 114.554 -0.141 0.000 2.841 149 T HA 0.608 4.959 4.350 0.001 0.000 0.285 149 T C -1.390 173.262 174.700 -0.080 0.000 0.991 149 T CA -0.446 61.583 62.100 -0.119 0.000 0.966 149 T CB 1.496 70.267 68.868 -0.162 0.000 0.962 149 T HN 0.656 nan 8.240 nan 0.000 0.438 150 E N 2.051 122.220 120.200 -0.053 0.000 2.179 150 E HA 0.680 5.030 4.350 0.001 0.000 0.275 150 E C -1.154 175.432 176.600 -0.025 0.000 0.945 150 E CA -0.624 55.762 56.400 -0.023 0.000 0.792 150 E CB 1.223 30.928 29.700 0.009 0.000 1.125 150 E HN 0.315 nan 8.360 nan 0.000 0.397 151 L N 2.196 123.418 121.223 -0.003 0.000 2.409 151 L HA 0.621 4.962 4.340 0.001 0.000 0.272 151 L C -1.123 175.877 176.870 0.218 0.000 0.980 151 L CA -0.776 54.092 54.840 0.046 0.000 0.826 151 L CB 1.749 43.731 42.059 -0.127 0.000 1.268 151 L HN 0.257 nan 8.230 nan 0.000 0.407 152 V N 3.853 123.865 119.914 0.163 0.000 2.789 152 V HA 0.561 4.682 4.120 0.001 0.000 0.311 152 V C -0.353 175.678 176.094 -0.105 0.000 1.073 152 V CA -0.481 61.828 62.300 0.015 0.000 0.921 152 V CB 2.528 34.302 31.823 -0.082 0.000 1.009 152 V HN 0.545 nan 8.190 nan 0.000 0.426 153 I N 2.818 123.188 120.570 -0.334 0.000 2.474 153 I HA 0.889 5.060 4.170 0.001 0.000 0.294 153 I C 0.510 176.393 176.117 -0.391 0.000 1.005 153 I CA -0.115 60.996 61.300 -0.315 0.000 1.113 153 I CB 2.047 39.806 38.000 -0.400 0.000 1.289 153 I HN 0.838 nan 8.210 nan 0.000 0.436 154 G N 4.690 113.352 108.800 -0.230 0.000 2.495 154 G HA2 0.583 4.544 3.960 0.001 0.000 0.294 154 G HA3 0.583 4.544 3.960 0.001 0.000 0.294 154 G C -2.026 172.957 174.900 0.140 0.000 1.397 154 G CA -0.551 44.422 45.100 -0.213 0.000 0.790 154 G HN 0.663 nan 8.290 nan 0.000 0.486 155 E N -1.109 119.173 120.200 0.137 0.000 2.430 155 E HA 0.493 4.844 4.350 0.001 0.000 0.279 155 E C -0.657 175.963 176.600 0.034 0.000 1.003 155 E CA -1.040 55.408 56.400 0.080 0.000 0.801 155 E CB 1.347 31.052 29.700 0.008 0.000 1.313 155 E HN 0.311 nan 8.360 nan 0.000 0.459 156 N N 0.589 119.223 118.700 -0.110 0.000 2.727 156 N HA -0.238 4.503 4.740 0.001 0.000 0.249 156 N C -0.669 174.877 175.510 0.060 0.000 1.048 156 N CA 1.382 54.379 53.050 -0.088 0.000 0.714 156 N CB -1.538 36.968 38.487 0.032 0.000 0.959 156 N HN 0.740 nan 8.380 nan 0.000 0.544 157 F N -2.572 117.383 119.950 0.008 0.000 3.034 157 F HA -0.275 4.252 4.527 0.001 0.000 0.286 157 F C 0.330 176.252 175.800 0.203 0.000 0.804 157 F CA 0.878 58.901 58.000 0.038 0.000 1.161 157 F CB -1.118 37.827 39.000 -0.092 0.000 1.317 157 F HN 0.087 nan 8.300 nan 0.000 0.453 158 E N 0.292 120.684 120.200 0.320 0.000 2.216 158 E HA 0.406 4.757 4.350 0.001 0.000 0.260 158 E C -2.390 174.179 176.600 -0.052 0.000 0.880 158 E CA -2.121 54.370 56.400 0.153 0.000 0.765 158 E CB 1.606 31.352 29.700 0.077 0.000 1.174 158 E HN -0.158 nan 8.360 nan 0.000 0.417 159 P HA 0.211 nan 4.420 nan 0.000 0.271 159 P C 0.424 177.535 177.300 -0.315 0.000 1.216 159 P CA 0.074 62.812 63.100 -0.603 0.000 0.776 159 P CB 0.937 32.340 31.700 -0.494 0.000 0.881 160 I N 1.388 121.759 120.570 -0.331 0.000 2.899 160 I HA 0.107 4.278 4.170 0.001 0.000 0.257 160 I C 0.504 176.482 176.117 -0.231 0.000 1.115 160 I CA 0.633 61.798 61.300 -0.225 0.000 1.451 160 I CB 0.066 37.946 38.000 -0.201 0.000 1.251 160 I HN 0.134 nan 8.210 nan 0.000 0.456 161 L N 1.078 122.105 121.223 -0.326 0.000 2.365 161 L HA 0.609 4.950 4.340 0.001 0.000 0.273 161 L C -1.204 175.545 176.870 -0.202 0.000 1.000 161 L CA -0.744 53.916 54.840 -0.299 0.000 0.819 161 L CB 2.498 44.206 42.059 -0.584 0.000 1.284 161 L HN -0.260 nan 8.230 nan 0.000 0.418 162 V N 2.016 121.914 119.914 -0.027 0.000 2.524 162 V HA 0.525 4.646 4.120 0.001 0.000 0.297 162 V C -0.653 175.512 176.094 0.119 0.000 1.035 162 V CA -0.572 61.748 62.300 0.033 0.000 0.867 162 V CB 1.924 33.731 31.823 -0.026 0.000 1.004 162 V HN 0.677 nan 8.190 nan 0.000 0.426 163 E N 1.903 122.195 120.200 0.152 0.000 2.367 163 E HA 0.725 5.076 4.350 0.001 0.000 0.273 163 E C -1.030 175.589 176.600 0.032 0.000 0.903 163 E CA -0.519 55.935 56.400 0.089 0.000 0.764 163 E CB 2.625 32.357 29.700 0.054 0.000 1.252 163 E HN 0.547 nan 8.360 nan 0.000 0.446 164 S N 0.991 116.698 115.700 0.011 0.000 2.541 164 S HA 0.694 5.165 4.470 0.001 0.000 0.280 164 S C -1.284 173.307 174.600 -0.015 0.000 1.112 164 S CA -0.743 57.456 58.200 -0.002 0.000 0.925 164 S CB 0.979 64.193 63.200 0.023 0.000 1.067 164 S HN 0.300 nan 8.310 nan 0.000 0.479 165 R N 2.432 122.909 120.500 -0.039 0.000 2.673 165 R HA 0.470 4.811 4.340 0.001 0.000 0.281 165 R C -0.257 176.009 176.300 -0.057 0.000 0.991 165 R CA -0.729 55.346 56.100 -0.042 0.000 0.896 165 R CB 1.634 31.892 30.300 -0.070 0.000 1.201 165 R HN 0.717 nan 8.270 nan 0.000 0.457 169 C N -0.858 118.378 119.300 -0.107 0.000 2.422 169 C HA 0.067 4.528 4.460 0.001 0.000 0.279 169 C C 2.464 177.504 174.990 0.082 0.000 1.305 169 C CA 1.303 60.312 59.018 -0.014 0.000 1.757 169 C CB -1.434 26.278 27.740 -0.047 0.000 1.962 169 C HN 0.440 nan 8.230 nan 0.000 0.499 170 V N 2.749 122.706 119.914 0.072 0.000 2.407 170 V HA -0.124 3.997 4.120 0.001 0.000 0.245 170 V C 3.027 179.221 176.094 0.166 0.000 1.041 170 V CA 2.418 64.790 62.300 0.119 0.000 1.040 170 V CB -0.844 31.041 31.823 0.104 0.000 0.671 170 V HN 0.790 nan 8.190 nan 0.000 0.455 171 S N -0.163 115.637 115.700 0.166 0.000 2.383 171 S HA -0.122 4.348 4.470 0.001 0.000 0.227 171 S C 1.915 176.738 174.600 0.372 0.000 1.026 171 S CA 1.195 59.531 58.200 0.226 0.000 0.981 171 S CB -0.608 62.717 63.200 0.207 0.000 0.818 171 S HN 0.389 nan 8.310 nan 0.000 0.472 172 F N 2.585 122.616 119.950 0.136 0.000 2.325 172 F HA 0.348 4.876 4.527 0.001 0.000 0.299 172 F C 2.752 178.794 175.800 0.402 0.000 1.090 172 F CA -0.470 57.695 58.000 0.276 0.000 1.392 172 F CB -1.248 37.944 39.000 0.319 0.000 1.053 172 F HN 0.283 nan 8.300 nan 0.000 0.521 173 A N -0.374 122.759 122.820 0.522 0.000 1.865 173 A HA -0.293 4.028 4.320 0.001 0.000 0.217 173 A C 2.228 180.066 177.584 0.423 0.000 1.191 173 A CA 2.020 54.397 52.037 0.566 0.000 0.623 173 A CB -1.021 18.225 19.000 0.410 0.000 0.826 173 A HN 0.417 nan 8.150 nan 0.000 0.444 174 Q N -0.765 119.181 119.800 0.242 0.000 2.084 174 Q HA -0.093 4.248 4.340 0.001 0.000 0.202 174 Q C 2.082 178.070 176.000 -0.020 0.000 0.978 174 Q CA 1.420 57.288 55.803 0.108 0.000 0.844 174 Q CB -0.180 28.605 28.738 0.079 0.000 0.898 174 Q HN 0.692 nan 8.270 nan 0.000 0.426 175 L N -1.020 120.118 121.223 -0.142 0.000 2.023 175 L HA -0.162 4.179 4.340 0.001 0.000 0.205 175 L C 1.656 178.124 176.870 -0.671 0.000 1.073 175 L CA 1.144 55.667 54.840 -0.529 0.000 0.745 175 L CB -0.138 41.344 42.059 -0.961 0.000 0.900 175 L HN 0.328 nan 8.230 nan 0.000 0.435 176 Y N -2.579 117.616 120.300 -0.175 0.000 2.481 176 Y HA 0.141 4.692 4.550 0.001 0.000 0.258 176 Y C 0.380 175.896 175.900 -0.640 0.000 1.103 176 Y CA -0.305 57.516 58.100 -0.465 0.000 1.287 176 Y CB 0.309 38.360 38.460 -0.682 0.000 1.108 176 Y HN -0.034 nan 8.280 nan 0.000 0.529 177 F N 1.756 121.793 119.950 0.145 0.000 2.542 177 F HA 0.390 4.918 4.527 0.001 0.000 0.323 177 F C -2.592 173.179 175.800 -0.049 0.000 1.411 177 F CA -2.823 55.228 58.000 0.084 0.000 1.124 177 F CB 0.358 39.509 39.000 0.251 0.000 1.331 177 F HN -0.204 nan 8.300 nan 0.000 0.560 178 P HA 0.148 nan 4.420 nan 0.000 0.271 178 P C 0.953 178.229 177.300 -0.041 0.000 1.216 178 P CA 0.735 63.834 63.100 -0.000 0.000 0.771 178 P CB 1.342 33.024 31.700 -0.031 0.000 0.864 179 G N 2.577 111.347 108.800 -0.050 0.000 2.166 179 G HA2 -0.192 3.769 3.960 0.001 0.000 0.260 179 G HA3 -0.192 3.769 3.960 0.001 0.000 0.260 179 G C 0.878 175.661 174.900 -0.195 0.000 0.986 179 G CA 0.568 45.618 45.100 -0.083 0.000 0.683 179 G HN 1.076 nan 8.290 nan 0.000 0.527 180 G N -2.574 105.992 108.800 -0.390 0.000 2.159 180 G HA2 -0.066 3.894 3.960 0.001 0.000 0.256 180 G HA3 -0.066 3.894 3.960 0.001 0.000 0.256 180 G C 0.527 174.929 174.900 -0.830 0.000 0.977 180 G CA 0.540 44.996 45.100 -1.073 0.000 0.652 180 G HN 1.672 nan 8.290 nan 0.000 0.531 181 V N 2.098 121.826 119.914 -0.311 0.000 2.450 181 V HA 0.252 4.372 4.120 0.001 0.000 0.281 181 V C 1.213 177.370 176.094 0.105 0.000 1.019 181 V CA 0.294 62.545 62.300 -0.081 0.000 1.062 181 V CB 0.678 32.491 31.823 -0.016 0.000 0.979 181 V HN 0.333 nan 8.190 nan 0.000 0.477 182 I N 5.929 126.590 120.570 0.151 0.000 2.395 182 I HA 0.374 4.545 4.170 0.001 0.000 0.289 182 I C 0.276 176.542 176.117 0.249 0.000 1.023 182 I CA 0.045 61.537 61.300 0.320 0.000 1.350 182 I CB 0.857 39.024 38.000 0.279 0.000 1.409 182 I HN 0.591 nan 8.210 nan 0.000 0.507 183 N N 4.381 123.269 118.700 0.313 0.000 2.416 183 N HA 0.201 4.942 4.740 0.001 0.000 0.276 183 N C 0.252 175.892 175.510 0.217 0.000 1.261 183 N CA -0.692 52.477 53.050 0.198 0.000 0.790 183 N CB 2.514 41.083 38.487 0.137 0.000 1.554 183 N HN 0.461 nan 8.380 nan 0.000 0.481 184 K N 0.766 121.246 120.400 0.135 0.000 2.057 184 K HA -0.113 4.208 4.320 0.001 0.000 0.207 184 K C 0.480 177.170 176.600 0.150 0.000 1.049 184 K CA 1.767 58.131 56.287 0.129 0.000 0.931 184 K CB 0.264 32.808 32.500 0.073 0.000 0.714 184 K HN 0.407 nan 8.250 nan 0.000 0.440 185 E N 0.432 120.689 120.200 0.095 0.000 2.076 185 E HA -0.083 4.268 4.350 0.001 0.000 0.190 185 E C 1.788 178.390 176.600 0.004 0.000 0.979 185 E CA 0.961 57.388 56.400 0.045 0.000 0.807 185 E CB -0.159 29.552 29.700 0.019 0.000 0.761 185 E HN 0.266 nan 8.360 nan 0.000 0.454 186 N N 0.189 118.889 118.700 -0.001 0.000 2.069 186 N HA -0.176 4.565 4.740 0.001 0.000 0.191 186 N C 1.518 176.868 175.510 -0.267 0.000 1.031 186 N CA 0.906 53.839 53.050 -0.194 0.000 0.852 186 N CB -0.429 37.932 38.487 -0.211 0.000 1.018 186 N HN 0.126 nan 8.380 nan 0.000 0.423 187 F N 1.492 121.441 119.950 -0.002 0.000 2.146 187 F HA -0.150 4.378 4.527 0.001 0.000 0.298 187 F C 2.527 178.337 175.800 0.017 0.000 1.096 187 F CA 1.265 59.381 58.000 0.193 0.000 1.275 187 F CB -0.247 38.919 39.000 0.276 0.000 1.008 187 F HN -0.014 nan 8.300 nan 0.000 0.480 188 Q N 0.620 120.470 119.800 0.084 0.000 2.119 188 Q HA -0.137 4.204 4.340 0.001 0.000 0.201 188 Q C 2.335 178.211 176.000 -0.206 0.000 0.972 188 Q CA 1.616 57.402 55.803 -0.029 0.000 0.847 188 Q CB -0.299 28.466 28.738 0.046 0.000 0.903 188 Q HN 0.323 nan 8.270 nan 0.000 0.433 189 R N -0.730 119.610 120.500 -0.267 0.000 2.091 189 R HA -0.110 4.231 4.340 0.001 0.000 0.238 189 R C 2.147 177.927 176.300 -0.866 0.000 1.136 189 R CA 1.292 57.134 56.100 -0.431 0.000 0.959 189 R CB -0.442 29.664 30.300 -0.323 0.000 0.856 189 R HN 0.345 nan 8.270 nan 0.000 0.437 190 A N 1.145 123.394 122.820 -0.951 0.000 1.930 190 A HA -0.128 4.193 4.320 0.001 0.000 0.217 190 A C 1.502 178.791 177.584 -0.491 0.000 1.175 190 A CA 0.546 51.980 52.037 -1.004 0.000 0.627 190 A CB -0.337 18.445 19.000 -0.363 0.000 0.815 190 A HN 0.218 nan 8.150 nan 0.000 0.443 194 A N 0.674 123.582 122.820 0.147 0.000 1.873 194 A HA 0.310 4.630 4.320 0.001 0.000 0.215 194 A C 2.360 179.968 177.584 0.040 0.000 1.186 194 A CA 2.472 54.596 52.037 0.145 0.000 0.616 194 A CB -0.979 18.065 19.000 0.073 0.000 0.823 194 A HN 1.583 nan 8.150 nan 0.000 0.442 195 A N -0.928 121.899 122.820 0.011 0.000 1.969 195 A HA -0.186 4.135 4.320 0.001 0.000 0.218 195 A C 2.174 179.760 177.584 0.004 0.000 1.169 195 A CA 1.709 53.746 52.037 0.001 0.000 0.635 195 A CB -0.568 18.433 19.000 0.002 0.000 0.810 195 A HN 0.674 nan 8.150 nan 0.000 0.445 196 Q N -0.044 119.763 119.800 0.012 0.000 2.061 196 Q HA -0.224 4.117 4.340 0.001 0.000 0.204 196 Q C 1.825 177.839 176.000 0.023 0.000 0.984 196 Q CA 2.004 57.818 55.803 0.017 0.000 0.846 196 Q CB -0.162 28.588 28.738 0.020 0.000 0.902 196 Q HN 0.641 nan 8.270 nan 0.000 0.421 197 K N -0.135 120.288 120.400 0.038 0.000 2.362 197 K HA -0.046 4.275 4.320 0.001 0.000 0.200 197 K C 1.590 178.179 176.600 -0.017 0.000 1.046 197 K CA 0.541 56.844 56.287 0.027 0.000 0.952 197 K CB 0.155 32.686 32.500 0.051 0.000 0.753 197 K HN 0.309 nan 8.250 nan 0.000 0.466 198 L N 0.473 121.676 121.223 -0.033 0.000 2.607 198 L HA 0.019 4.359 4.340 0.001 0.000 0.228 198 L C 1.991 178.834 176.870 -0.045 0.000 1.123 198 L CA 0.046 54.841 54.840 -0.076 0.000 0.890 198 L CB -0.100 41.898 42.059 -0.101 0.000 1.103 198 L HN 0.219 nan 8.230 nan 0.000 0.468 199 E N 0.410 120.605 120.200 -0.009 0.000 2.153 199 E HA -0.231 4.120 4.350 0.001 0.000 0.194 199 E C 1.829 178.448 176.600 0.032 0.000 0.988 199 E CA 1.826 58.236 56.400 0.016 0.000 0.811 199 E CB -0.396 29.316 29.700 0.021 0.000 0.746 199 E HN 0.443 nan 8.360 nan 0.000 0.466 200 T N -0.180 114.387 114.554 0.022 0.000 3.035 200 T HA -0.042 4.309 4.350 0.001 0.000 0.268 200 T C 1.776 176.517 174.700 0.068 0.000 1.109 200 T CA 0.922 63.046 62.100 0.040 0.000 1.119 200 T CB -0.214 68.673 68.868 0.031 0.000 0.900 200 T HN 0.330 nan 8.240 nan 0.000 0.503 201 L N 0.023 121.263 121.223 0.027 0.000 2.638 201 L HA 0.450 4.791 4.340 0.001 0.000 0.232 201 L C 2.237 179.166 176.870 0.098 0.000 1.099 201 L CA 0.681 55.548 54.840 0.045 0.000 0.883 201 L CB -1.181 40.770 42.059 -0.179 0.000 1.136 201 L HN 0.233 nan 8.230 nan 0.000 0.492 202 T N -3.320 111.282 114.554 0.079 0.000 2.684 202 T HA -0.288 4.063 4.350 0.001 0.000 0.267 202 T C 1.595 176.431 174.700 0.227 0.000 1.036 202 T CA 1.692 63.861 62.100 0.115 0.000 1.148 202 T CB -1.105 67.814 68.868 0.086 0.000 0.863 202 T HN 0.601 nan 8.240 nan 0.000 0.436 203 W N 1.641 122.996 121.300 0.091 0.000 2.379 203 W HA -0.022 4.638 4.660 0.001 0.000 0.307 203 W C 2.839 179.432 176.519 0.123 0.000 1.200 203 W CA 1.351 58.749 57.345 0.089 0.000 1.297 203 W CB -0.287 29.207 29.460 0.055 0.000 1.140 203 W HN 0.361 nan 8.180 nan 0.000 0.507 204 Q N -0.815 119.257 119.800 0.452 0.000 2.084 204 Q HA -0.235 4.106 4.340 0.001 0.000 0.202 204 Q C 2.150 178.236 176.000 0.143 0.000 0.978 204 Q CA 2.026 58.011 55.803 0.303 0.000 0.844 204 Q CB -0.622 28.334 28.738 0.364 0.000 0.898 204 Q HN 0.287 nan 8.270 nan 0.000 0.426 205 F N 0.613 120.582 119.950 0.032 0.000 2.075 205 F HA -0.114 4.414 4.527 0.001 0.000 0.297 205 F C 2.481 178.341 175.800 0.100 0.000 1.113 205 F CA 1.432 59.476 58.000 0.074 0.000 1.218 205 F CB -0.306 38.748 39.000 0.091 0.000 0.984 205 F HN 0.032 nan 8.300 nan 0.000 0.472 206 R N -0.291 120.321 120.500 0.187 0.000 2.105 206 R HA -0.165 4.176 4.340 0.001 0.000 0.239 206 R C 2.117 178.233 176.300 -0.307 0.000 1.135 206 R CA 1.222 57.291 56.100 -0.052 0.000 0.967 206 R CB -0.524 29.722 30.300 -0.090 0.000 0.861 206 R HN 0.222 nan 8.270 nan 0.000 0.442 207 I N 1.004 121.286 120.570 -0.479 0.000 2.394 207 I HA -0.209 3.962 4.170 0.001 0.000 0.251 207 I C 2.366 178.277 176.117 -0.343 0.000 1.136 207 I CA 1.345 62.299 61.300 -0.577 0.000 1.425 207 I CB -0.652 36.695 38.000 -1.089 0.000 1.079 207 I HN 0.169 nan 8.210 nan 0.000 0.425 208 Q N 1.243 120.897 119.800 -0.242 0.000 2.123 208 Q HA 0.069 4.409 4.340 0.001 0.000 0.199 208 Q C 1.062 176.976 176.000 -0.143 0.000 0.966 208 Q CA 1.092 56.793 55.803 -0.170 0.000 0.845 208 Q CB -0.270 28.366 28.738 -0.172 0.000 0.907 208 Q HN 0.505 nan 8.270 nan 0.000 0.439 209 G N -0.878 107.836 108.800 -0.143 0.000 2.877 209 G HA2 -0.157 3.804 3.960 0.001 0.000 0.279 209 G HA3 -0.157 3.804 3.960 0.001 0.000 0.279 209 G C -0.847 174.058 174.900 0.008 0.000 1.431 209 G CA -0.165 44.740 45.100 -0.326 0.000 0.883 209 G HN 0.721 nan 8.290 nan 0.000 0.547 210 W N -1.632 119.615 121.300 -0.087 0.000 3.363 210 W HA 0.671 5.332 4.660 0.001 0.000 0.306 210 W C 0.050 176.534 176.519 -0.059 0.000 1.253 210 W CA -0.728 56.574 57.345 -0.072 0.000 1.195 210 W CB 0.114 29.538 29.460 -0.061 0.000 1.366 210 W HN 0.491 nan 8.180 nan 0.000 0.551 211 N N 0.606 119.385 118.700 0.132 0.000 2.250 211 N HA 0.027 4.767 4.740 0.001 0.000 0.181 211 N C -0.296 175.314 175.510 0.167 0.000 1.017 211 N CA 0.932 54.027 53.050 0.076 0.000 0.866 211 N CB 0.426 38.933 38.487 0.035 0.000 0.985 211 N HN 0.235 nan 8.380 nan 0.000 0.429 212 V N -0.569 119.486 119.914 0.236 0.000 2.925 212 V HA 0.771 4.892 4.120 0.001 0.000 0.311 212 V C -1.383 174.785 176.094 0.122 0.000 1.104 212 V CA -0.838 61.575 62.300 0.188 0.000 0.954 212 V CB 1.765 33.631 31.823 0.071 0.000 1.022 212 V HN 0.164 nan 8.190 nan 0.000 0.427 216 A N 0.740 123.542 122.820 -0.030 0.000 2.469 216 A HA 1.120 5.441 4.320 0.001 0.000 0.299 216 A C 0.556 178.124 177.584 -0.025 0.000 1.098 216 A CA 0.698 52.715 52.037 -0.033 0.000 0.737 216 A CB 1.306 20.288 19.000 -0.030 0.000 1.312 216 A HN 2.947 nan 8.150 nan 0.000 0.414 217 S N -0.784 114.899 115.700 -0.028 0.000 3.697 217 S HA 0.021 4.492 4.470 0.001 0.000 0.638 217 S C 1.286 175.886 174.600 0.000 0.000 2.176 217 S CA 0.948 59.135 58.200 -0.023 0.000 2.349 217 S CB -1.502 61.681 63.200 -0.029 0.000 0.329 217 S HN 2.632 nan 8.310 nan 0.000 1.794 218 G N 0.403 109.211 108.800 0.014 0.000 2.446 218 G HA2 -0.062 3.898 3.960 0.001 0.000 0.217 218 G HA3 -0.062 3.898 3.960 0.001 0.000 0.217 218 G C 1.473 176.412 174.900 0.066 0.000 1.168 218 G CA 1.882 47.007 45.100 0.043 0.000 0.771 218 G HN 1.267 nan 8.290 nan 0.000 0.551 219 T N 1.206 115.786 114.554 0.044 0.000 2.652 219 T HA -0.078 4.272 4.350 0.001 0.000 0.267 219 T C 2.421 177.165 174.700 0.074 0.000 1.039 219 T CA 1.230 63.357 62.100 0.044 0.000 1.153 219 T CB -0.194 68.652 68.868 -0.037 0.000 0.863 219 T HN 0.239 nan 8.240 nan 0.000 0.428 220 I N 0.662 121.260 120.570 0.047 0.000 2.315 220 I HA -0.131 4.040 4.170 0.001 0.000 0.248 220 I C 2.533 178.709 176.117 0.099 0.000 1.117 220 I CA 1.156 62.495 61.300 0.064 0.000 1.404 220 I CB -0.261 37.760 38.000 0.035 0.000 1.071 220 I HN 0.176 nan 8.210 nan 0.000 0.419 221 K N 1.388 121.832 120.400 0.073 0.000 2.009 221 K HA -0.230 4.091 4.320 0.001 0.000 0.210 221 K C 2.206 178.902 176.600 0.160 0.000 1.049 221 K CA 1.772 58.111 56.287 0.088 0.000 0.929 221 K CB -0.205 32.324 32.500 0.049 0.000 0.714 221 K HN 0.288 nan 8.250 nan 0.000 0.440 222 A N 0.733 123.654 122.820 0.168 0.000 1.933 222 A HA -0.105 4.216 4.320 0.001 0.000 0.218 222 A C 2.296 180.025 177.584 0.240 0.000 1.175 222 A CA 1.931 54.074 52.037 0.177 0.000 0.628 222 A CB -0.804 18.345 19.000 0.248 0.000 0.814 222 A HN 0.520 nan 8.150 nan 0.000 0.444 223 A N -0.789 122.248 122.820 0.361 0.000 1.872 223 A HA -0.113 4.207 4.320 0.001 0.000 0.214 223 A C 1.982 179.676 177.584 0.184 0.000 1.187 223 A CA 1.880 54.110 52.037 0.321 0.000 0.614 223 A CB -0.933 18.192 19.000 0.208 0.000 0.826 223 A HN 0.824 nan 8.150 nan 0.000 0.442 224 H N -0.612 118.505 119.070 0.077 0.000 2.387 224 H HA -0.133 4.423 4.556 0.001 0.000 0.299 224 H C 1.892 177.236 175.328 0.028 0.000 1.099 224 H CA 2.144 58.219 56.048 0.046 0.000 1.315 224 H CB -0.017 29.771 29.762 0.043 0.000 1.380 224 H HN 0.515 nan 8.280 nan 0.000 0.513 225 E N -0.521 119.688 120.200 0.015 0.000 2.060 225 E HA -0.035 4.316 4.350 0.001 0.000 0.189 225 E C 2.342 178.886 176.600 -0.094 0.000 0.974 225 E CA 0.933 57.295 56.400 -0.064 0.000 0.808 225 E CB 0.052 29.773 29.700 0.036 0.000 0.768 225 E HN 0.306 nan 8.360 nan 0.000 0.453 226 V N 1.147 121.018 119.914 -0.071 0.000 2.490 226 V HA -0.176 3.945 4.120 0.001 0.000 0.250 226 V C 1.458 177.512 176.094 -0.066 0.000 1.061 226 V CA 0.929 63.172 62.300 -0.096 0.000 1.064 226 V CB -0.421 31.312 31.823 -0.149 0.000 0.670 226 V HN 0.191 nan 8.190 nan 0.000 0.461 232 E N 2.163 122.343 120.200 -0.033 0.000 1.795 232 E HA 0.221 4.572 4.350 0.001 0.000 0.261 232 E C 0.876 177.451 176.600 -0.042 0.000 1.238 232 E CA -0.025 56.356 56.400 -0.030 0.000 1.001 232 E CB 1.378 31.060 29.700 -0.030 0.000 1.065 232 E HN 0.232 nan 8.360 nan 0.000 0.418 233 K N 1.616 122.000 120.400 -0.027 0.000 2.015 233 K HA -0.197 4.123 4.320 0.001 0.000 0.216 233 K C 0.486 177.070 176.600 -0.027 0.000 1.052 233 K CA 1.893 58.164 56.287 -0.026 0.000 0.937 233 K CB -0.279 32.214 32.500 -0.010 0.000 0.719 233 K HN 0.589 nan 8.250 nan 0.000 0.446 234 D N -1.850 118.546 120.400 -0.007 0.000 2.361 234 D HA 0.104 4.744 4.640 0.001 0.000 0.239 234 D C 1.037 177.332 176.300 -0.008 0.000 1.200 234 D CA 0.120 54.129 54.000 0.015 0.000 0.915 234 D CB 0.570 41.393 40.800 0.039 0.000 1.170 234 D HN 0.130 nan 8.370 nan 0.000 0.444 235 G N -0.273 108.565 108.800 0.063 0.000 3.042 235 G HA2 0.106 4.066 3.960 0.001 0.000 0.212 235 G HA3 0.106 4.066 3.960 0.001 0.000 0.212 235 G C 0.613 175.650 174.900 0.229 0.000 1.166 235 G CA -0.438 44.672 45.100 0.016 0.000 0.767 235 G HN 0.517 nan 8.290 nan 0.000 0.546 236 I N 1.786 122.445 120.570 0.149 0.000 2.598 236 I HA 0.097 4.268 4.170 0.001 0.000 0.284 236 I C 0.179 176.374 176.117 0.129 0.000 1.140 236 I CA 0.110 61.500 61.300 0.150 0.000 1.420 236 I CB 0.888 38.958 38.000 0.116 0.000 1.387 236 I HN -0.065 nan 8.210 nan 0.000 0.553 237 I N 5.989 126.655 120.570 0.160 0.000 2.428 237 I HA 0.298 4.469 4.170 0.001 0.000 0.289 237 I C 0.334 176.551 176.117 0.167 0.000 1.019 237 I CA 0.182 61.543 61.300 0.102 0.000 1.351 237 I CB 1.316 39.361 38.000 0.076 0.000 1.412 237 I HN 0.551 nan 8.210 nan 0.000 0.513 238 T N 6.023 120.584 114.554 0.011 0.000 2.923 238 T HA 0.278 4.629 4.350 0.001 0.000 0.311 238 T C -2.065 172.602 174.700 -0.056 0.000 1.183 238 T CA -0.967 61.200 62.100 0.112 0.000 1.020 238 T CB 2.285 71.207 68.868 0.089 0.000 1.165 238 T HN 0.240 nan 8.240 nan 0.000 0.482 239 P HA -0.091 nan 4.420 nan 0.000 0.215 239 P C 1.068 178.363 177.300 -0.008 0.000 1.157 239 P CA 1.241 64.362 63.100 0.035 0.000 0.874 239 P CB 0.319 32.117 31.700 0.164 0.000 0.790 240 E N -0.459 119.754 120.200 0.023 0.000 2.038 240 E HA -0.170 4.181 4.350 0.001 0.000 0.195 240 E C 2.138 178.732 176.600 -0.011 0.000 1.000 240 E CA 1.244 57.651 56.400 0.013 0.000 0.803 240 E CB -0.647 29.069 29.700 0.025 0.000 0.750 240 E HN 0.215 nan 8.360 nan 0.000 0.448 241 R N 0.143 120.630 120.500 -0.021 0.000 2.120 241 R HA -0.060 4.280 4.340 0.001 0.000 0.234 241 R C 2.467 178.733 176.300 -0.057 0.000 1.123 241 R CA 0.881 56.962 56.100 -0.031 0.000 0.975 241 R CB -0.494 29.792 30.300 -0.024 0.000 0.866 241 R HN 0.230 nan 8.270 nan 0.000 0.446 242 L N 0.899 122.053 121.223 -0.115 0.000 2.046 242 L HA -0.166 4.174 4.340 0.001 0.000 0.208 242 L C 2.402 179.240 176.870 -0.053 0.000 1.077 242 L CA 1.160 55.924 54.840 -0.127 0.000 0.747 242 L CB -0.316 41.590 42.059 -0.255 0.000 0.896 242 L HN 0.112 nan 8.230 nan 0.000 0.432 243 E N 0.216 120.395 120.200 -0.035 0.000 2.106 243 E HA -0.201 4.149 4.350 0.001 0.000 0.192 243 E C 2.132 178.719 176.600 -0.020 0.000 0.984 243 E CA 1.004 57.397 56.400 -0.013 0.000 0.806 243 E CB -0.050 29.652 29.700 0.003 0.000 0.750 243 E HN 0.304 nan 8.360 nan 0.000 0.458 244 K N 0.783 121.172 120.400 -0.018 0.000 2.032 244 K HA -0.068 4.252 4.320 0.001 0.000 0.209 244 K C 2.245 178.838 176.600 -0.011 0.000 1.048 244 K CA 0.709 56.988 56.287 -0.013 0.000 0.927 244 K CB -0.429 32.065 32.500 -0.010 0.000 0.712 244 K HN 0.063 nan 8.250 nan 0.000 0.441 245 L N -0.127 121.094 121.223 -0.004 0.000 2.017 245 L HA -0.195 4.146 4.340 0.001 0.000 0.208 245 L C 2.293 179.158 176.870 -0.008 0.000 1.073 245 L CA 1.104 55.961 54.840 0.028 0.000 0.745 245 L CB -0.490 41.606 42.059 0.062 0.000 0.894 245 L HN 0.111 nan 8.230 nan 0.000 0.432 246 V N 0.816 120.684 119.914 -0.077 0.000 2.343 246 V HA -0.307 3.813 4.120 0.001 0.000 0.247 246 V C 2.629 178.606 176.094 -0.194 0.000 1.051 246 V CA 2.347 64.504 62.300 -0.239 0.000 1.036 246 V CB -0.359 31.290 31.823 -0.290 0.000 0.654 246 V HN 0.641 nan 8.190 nan 0.000 0.451 247 K N -0.540 119.800 120.400 -0.100 0.000 2.097 247 K HA -0.212 4.108 4.320 0.001 0.000 0.206 247 K C 1.897 178.469 176.600 -0.046 0.000 1.049 247 K CA 2.087 58.332 56.287 -0.070 0.000 0.933 247 K CB -0.460 32.015 32.500 -0.042 0.000 0.717 247 K HN 0.409 nan 8.250 nan 0.000 0.442 248 E N 0.987 121.176 120.200 -0.018 0.000 2.072 248 E HA -0.088 4.263 4.350 0.001 0.000 0.191 248 E C 2.014 178.676 176.600 0.103 0.000 0.985 248 E CA 1.068 57.484 56.400 0.026 0.000 0.801 248 E CB -0.268 29.457 29.700 0.042 0.000 0.750 248 E HN 0.168 nan 8.360 nan 0.000 0.452 249 V N 0.619 120.583 119.914 0.083 0.000 2.332 249 V HA -0.243 3.878 4.120 0.001 0.000 0.248 249 V C 2.209 178.373 176.094 0.116 0.000 1.055 249 V CA 1.491 63.870 62.300 0.131 0.000 1.038 249 V CB -0.415 31.416 31.823 0.015 0.000 0.651 249 V HN 0.283 nan 8.190 nan 0.000 0.450 250 L N 0.216 121.428 121.223 -0.018 0.000 2.362 250 L HA -0.115 4.225 4.340 0.001 0.000 0.219 250 L C 2.359 179.222 176.870 -0.011 0.000 1.134 250 L CA 0.950 55.777 54.840 -0.021 0.000 0.807 250 L CB -0.428 41.584 42.059 -0.077 0.000 0.927 250 L HN 0.444 nan 8.230 nan 0.000 0.447 251 R N -1.662 118.800 120.500 -0.063 0.000 2.328 251 R HA 0.086 4.427 4.340 0.001 0.000 0.200 251 R C 0.202 176.306 176.300 -0.327 0.000 0.983 251 R CA 0.329 56.320 56.100 -0.182 0.000 1.062 251 R CB -0.613 29.558 30.300 -0.215 0.000 0.956 251 R HN 0.289 nan 8.270 nan 0.000 0.479 252 H N -0.113 118.971 119.070 0.022 0.000 2.616 252 H HA 0.398 4.955 4.556 0.001 0.000 0.353 252 H C 0.341 175.701 175.328 0.053 0.000 1.170 252 H CA -0.943 55.127 56.048 0.038 0.000 1.212 252 H CB 1.957 31.750 29.762 0.050 0.000 1.653 252 H HN -0.050 nan 8.280 nan 0.000 0.537 253 R N 0.171 120.777 120.500 0.177 0.000 2.225 253 R HA 0.094 4.434 4.340 0.001 0.000 0.194 253 R C 0.314 176.673 176.300 0.097 0.000 0.957 253 R CA 0.237 56.403 56.100 0.109 0.000 1.042 253 R CB 0.626 30.967 30.300 0.069 0.000 1.004 253 R HN 0.570 nan 8.270 nan 0.000 0.509 254 N N -1.087 117.682 118.700 0.115 0.000 2.732 254 N HA 0.109 4.850 4.740 0.001 0.000 0.259 254 N C 0.312 175.930 175.510 0.180 0.000 1.402 254 N CA -0.441 52.644 53.050 0.057 0.000 0.829 254 N CB 1.022 39.515 38.487 0.010 0.000 1.495 254 N HN -0.210 nan 8.380 nan 0.000 0.511 255 F N 0.857 120.823 119.950 0.027 0.000 2.216 255 F HA -0.126 4.402 4.527 0.001 0.000 0.300 255 F C 2.404 178.192 175.800 -0.021 0.000 1.085 255 F CA 0.973 58.969 58.000 -0.006 0.000 1.326 255 F CB 0.044 39.044 39.000 -0.000 0.000 1.027 255 F HN 0.562 nan 8.300 nan 0.000 0.497 256 A N 0.216 123.139 122.820 0.171 0.000 1.902 256 A HA -0.225 4.096 4.320 0.001 0.000 0.217 256 A C 2.125 179.738 177.584 0.049 0.000 1.181 256 A CA 2.043 54.131 52.037 0.085 0.000 0.623 256 A CB -0.877 18.157 19.000 0.057 0.000 0.818 256 A HN 0.390 nan 8.150 nan 0.000 0.443 257 S N -1.297 114.438 115.700 0.058 0.000 2.556 257 S HA 0.238 4.709 4.470 0.001 0.000 0.216 257 S C 0.507 175.079 174.600 -0.046 0.000 0.970 257 S CA -0.165 58.068 58.200 0.055 0.000 0.912 257 S CB -0.425 62.844 63.200 0.114 0.000 0.790 257 S HN 0.304 nan 8.310 nan 0.000 0.504 258 L N 4.311 125.446 121.223 -0.146 0.000 2.449 258 L HA 0.234 4.575 4.340 0.001 0.000 0.266 258 L C 0.308 176.895 176.870 -0.472 0.000 1.321 258 L CA 0.083 54.639 54.840 -0.474 0.000 1.194 258 L CB -0.752 41.196 42.059 -0.185 0.000 1.384 258 L HN 0.400 nan 8.230 nan 0.000 0.438 259 S N 3.610 118.989 115.700 -0.536 0.000 2.955 259 S HA 0.496 4.966 4.470 0.001 0.000 0.294 259 S C -0.325 174.173 174.600 -0.170 0.000 1.198 259 S CA -0.782 57.295 58.200 -0.204 0.000 1.008 259 S CB -0.015 63.177 63.200 -0.013 0.000 1.279 259 S HN 0.361 nan 8.310 nan 0.000 0.508 260 L N 4.140 125.236 121.223 -0.211 0.000 2.329 260 L HA 0.584 4.925 4.340 0.001 0.000 0.279 260 L C -2.145 174.638 176.870 -0.145 0.000 1.014 260 L CA -2.043 52.703 54.840 -0.156 0.000 0.814 260 L CB 1.386 43.301 42.059 -0.240 0.000 1.257 260 L HN 0.375 nan 8.230 nan 0.000 0.424 261 P HA 0.162 nan 4.420 nan 0.000 0.267 261 P C 0.550 177.780 177.300 -0.117 0.000 1.205 261 P CA 0.265 63.313 63.100 -0.087 0.000 0.765 261 P CB 0.824 32.489 31.700 -0.058 0.000 0.828 262 G N 1.499 110.236 108.800 -0.104 0.000 2.160 262 G HA2 -0.211 3.750 3.960 0.001 0.000 0.244 262 G HA3 -0.211 3.750 3.960 0.001 0.000 0.244 262 G C -0.508 174.302 174.900 -0.150 0.000 1.022 262 G CA -0.269 44.768 45.100 -0.106 0.000 0.741 262 G HN 0.552 nan 8.290 nan 0.000 0.508 263 L N 2.149 123.265 121.223 -0.177 0.000 2.377 263 L HA 0.666 5.006 4.340 0.001 0.000 0.270 263 L C 0.923 177.707 176.870 -0.144 0.000 0.991 263 L CA -0.395 54.308 54.840 -0.228 0.000 0.851 263 L CB 1.317 43.152 42.059 -0.374 0.000 1.218 263 L HN 0.583 nan 8.230 nan 0.000 0.420 264 S N 2.315 117.956 115.700 -0.098 0.000 2.576 264 S HA 0.126 4.596 4.470 0.001 0.000 0.272 264 S C 0.984 175.553 174.600 -0.052 0.000 1.352 264 S CA -0.314 57.852 58.200 -0.056 0.000 1.021 264 S CB 0.710 63.894 63.200 -0.028 0.000 0.887 264 S HN 0.617 nan 8.310 nan 0.000 0.542 265 E N 1.424 121.606 120.200 -0.029 0.000 2.153 265 E HA -0.152 4.199 4.350 0.001 0.000 0.194 265 E C 2.187 178.788 176.600 0.002 0.000 0.988 265 E CA 1.430 57.820 56.400 -0.017 0.000 0.811 265 E CB -0.262 29.435 29.700 -0.006 0.000 0.746 265 E HN 0.916 nan 8.360 nan 0.000 0.466 266 E N 0.817 121.027 120.200 0.016 0.000 2.047 266 E HA -0.200 4.151 4.350 0.001 0.000 0.191 266 E C 2.126 178.747 176.600 0.035 0.000 0.987 266 E CA 0.866 57.294 56.400 0.047 0.000 0.799 266 E CB -0.465 29.272 29.700 0.062 0.000 0.752 266 E HN -0.018 nan 8.360 nan 0.000 0.449 267 R N 1.720 122.226 120.500 0.010 0.000 2.120 267 R HA -0.047 4.294 4.340 0.001 0.000 0.234 267 R C 2.083 178.374 176.300 -0.015 0.000 1.123 267 R CA 1.599 57.706 56.100 0.011 0.000 0.975 267 R CB -0.313 29.985 30.300 -0.004 0.000 0.866 267 R HN 0.131 nan 8.270 nan 0.000 0.446 268 K N -1.295 119.070 120.400 -0.059 0.000 2.211 268 K HA -0.113 4.208 4.320 0.001 0.000 0.204 268 K C 1.747 178.268 176.600 -0.132 0.000 1.047 268 K CA 1.690 57.924 56.287 -0.088 0.000 0.935 268 K CB -0.199 32.260 32.500 -0.069 0.000 0.728 268 K HN 0.137 nan 8.250 nan 0.000 0.452 269 T N -0.411 114.093 114.554 -0.084 0.000 3.088 269 T HA 0.006 4.357 4.350 0.001 0.000 0.259 269 T C 1.129 175.659 174.700 -0.283 0.000 1.122 269 T CA 0.933 62.986 62.100 -0.079 0.000 1.095 269 T CB 0.267 69.172 68.868 0.062 0.000 0.930 269 T HN 0.140 nan 8.240 nan 0.000 0.508 270 V N -2.204 117.559 119.914 -0.252 0.000 3.392 270 V HA 0.443 4.564 4.120 0.001 0.000 0.294 270 V C 1.415 177.380 176.094 -0.217 0.000 1.561 270 V CA -0.427 61.736 62.300 -0.229 0.000 1.056 270 V CB -0.874 30.920 31.823 -0.048 0.000 0.882 270 V HN 0.285 nan 8.190 nan 0.000 0.440 271 F N 1.946 121.685 119.950 -0.351 0.000 2.134 271 F HA -0.036 4.492 4.527 0.001 0.000 0.299 271 F C 1.992 177.651 175.800 -0.234 0.000 1.097 271 F CA 2.460 60.316 58.000 -0.239 0.000 1.264 271 F CB 0.031 38.914 39.000 -0.196 0.000 1.001 271 F HN 0.049 nan 8.300 nan 0.000 0.479 272 V N 2.196 121.861 119.914 -0.415 0.000 2.270 272 V HA -0.197 3.924 4.120 0.001 0.000 0.245 272 V C -0.332 175.570 176.094 -0.319 0.000 1.043 272 V CA 2.262 64.335 62.300 -0.377 0.000 1.014 272 V CB -2.172 29.399 31.823 -0.421 0.000 0.645 272 V HN 0.231 nan 8.190 nan 0.000 0.447 273 P HA -0.122 nan 4.420 nan 0.000 0.218 273 P C 1.758 179.047 177.300 -0.017 0.000 1.149 273 P CA 2.032 65.156 63.100 0.040 0.000 0.817 273 P CB -0.281 31.560 31.700 0.235 0.000 0.785 274 G N 0.559 109.259 108.800 -0.167 0.000 2.418 274 G HA2 -0.236 3.725 3.960 0.001 0.000 0.217 274 G HA3 -0.236 3.725 3.960 0.001 0.000 0.217 274 G C 1.523 176.282 174.900 -0.234 0.000 1.158 274 G CA 0.567 45.549 45.100 -0.197 0.000 0.771 274 G HN 0.259 nan 8.290 nan 0.000 0.545 275 L N 1.080 122.092 121.223 -0.353 0.000 2.156 275 L HA 0.280 4.621 4.340 0.001 0.000 0.208 275 L C 3.033 179.883 176.870 -0.033 0.000 1.095 275 L CA 1.848 56.533 54.840 -0.258 0.000 0.770 275 L CB -0.472 41.356 42.059 -0.385 0.000 0.914 275 L HN 0.218 nan 8.230 nan 0.000 0.439 276 A N -0.049 122.721 122.820 -0.083 0.000 1.877 276 A HA -0.194 4.127 4.320 0.001 0.000 0.216 276 A C 2.242 179.719 177.584 -0.179 0.000 1.186 276 A CA 2.145 53.929 52.037 -0.422 0.000 0.620 276 A CB -0.871 17.814 19.000 -0.526 0.000 0.822 276 A HN 0.491 nan 8.150 nan 0.000 0.443 277 I N -0.889 119.632 120.570 -0.082 0.000 2.226 277 I HA -0.227 3.943 4.170 0.001 0.000 0.245 277 I C 2.409 178.492 176.117 -0.057 0.000 1.100 277 I CA 1.231 62.477 61.300 -0.089 0.000 1.374 277 I CB -0.298 37.579 38.000 -0.205 0.000 1.057 277 I HN 0.377 nan 8.210 nan 0.000 0.413 278 L N 0.359 121.554 121.223 -0.047 0.000 2.131 278 L HA -0.192 4.149 4.340 0.001 0.000 0.210 278 L C 2.449 179.379 176.870 0.101 0.000 1.092 278 L CA 1.764 56.623 54.840 0.032 0.000 0.759 278 L CB -0.584 41.467 42.059 -0.012 0.000 0.903 278 L HN 0.285 nan 8.230 nan 0.000 0.435 279 C N -0.355 118.962 119.300 0.030 0.000 2.453 279 C HA -0.024 4.437 4.460 0.001 0.000 0.277 279 C C 2.801 177.848 174.990 0.095 0.000 1.262 279 C CA 0.628 59.682 59.018 0.060 0.000 1.718 279 C CB -1.839 25.943 27.740 0.069 0.000 2.031 279 C HN 0.734 nan 8.230 nan 0.000 0.480 280 G N 0.350 109.167 108.800 0.029 0.000 2.440 280 G HA2 -0.182 3.779 3.960 0.001 0.000 0.218 280 G HA3 -0.182 3.779 3.960 0.001 0.000 0.218 280 G C 1.658 176.585 174.900 0.044 0.000 1.154 280 G CA 1.438 46.552 45.100 0.022 0.000 0.767 280 G HN 0.405 nan 8.290 nan 0.000 0.552 281 V N 0.082 120.029 119.914 0.056 0.000 2.307 281 V HA -0.086 4.035 4.120 0.001 0.000 0.245 281 V C 2.456 178.585 176.094 0.059 0.000 1.045 281 V CA 1.524 63.839 62.300 0.025 0.000 1.024 281 V CB -0.630 31.197 31.823 0.006 0.000 0.651 281 V HN 0.290 nan 8.190 nan 0.000 0.449 282 F N 0.917 120.860 119.950 -0.013 0.000 2.095 282 F HA -0.184 4.344 4.527 0.001 0.000 0.298 282 F C 2.313 178.138 175.800 0.041 0.000 1.104 282 F CA 1.952 59.966 58.000 0.024 0.000 1.232 282 F CB -0.587 38.432 39.000 0.033 0.000 0.987 282 F HN 0.225 nan 8.300 nan 0.000 0.475 283 D N -0.142 120.384 120.400 0.210 0.000 2.123 283 D HA -0.170 4.471 4.640 0.001 0.000 0.196 283 D C 2.317 178.669 176.300 0.086 0.000 0.992 283 D CA 1.550 55.627 54.000 0.129 0.000 0.833 283 D CB -0.693 40.162 40.800 0.092 0.000 0.954 283 D HN 0.266 nan 8.370 nan 0.000 0.455 284 A N 0.187 123.042 122.820 0.059 0.000 1.897 284 A HA -0.006 4.315 4.320 0.001 0.000 0.215 284 A C 2.213 179.827 177.584 0.051 0.000 1.181 284 A CA 0.728 52.788 52.037 0.038 0.000 0.620 284 A CB -0.439 18.559 19.000 -0.002 0.000 0.821 284 A HN 0.208 nan 8.150 nan 0.000 0.443 285 L N -1.569 119.677 121.223 0.040 0.000 2.585 285 L HA 0.277 4.618 4.340 0.001 0.000 0.226 285 L C 1.298 178.280 176.870 0.187 0.000 1.113 285 L CA 0.372 55.280 54.840 0.114 0.000 0.876 285 L CB -0.146 41.920 42.059 0.012 0.000 1.072 285 L HN 0.497 nan 8.230 nan 0.000 0.468 286 A N 1.185 124.068 122.820 0.105 0.000 2.610 286 A HA -0.218 4.103 4.320 0.001 0.000 0.299 286 A C 0.218 177.874 177.584 0.119 0.000 1.487 286 A CA 0.379 52.480 52.037 0.106 0.000 0.743 286 A CB -2.530 16.517 19.000 0.079 0.000 1.070 286 A HN 0.363 nan 8.150 nan 0.000 0.439 287 I N 0.151 120.701 120.570 -0.033 0.000 2.496 287 I HA 0.174 4.345 4.170 0.001 0.000 0.285 287 I C 1.667 177.780 176.117 -0.007 0.000 1.080 287 I CA -0.641 60.571 61.300 -0.145 0.000 1.404 287 I CB 0.707 38.144 38.000 -0.938 0.000 1.403 287 I HN 0.357 nan 8.210 nan 0.000 0.539 288 R N 3.967 124.545 120.500 0.130 0.000 2.128 288 R HA 0.224 4.565 4.340 0.001 0.000 0.211 288 R C -0.113 176.327 176.300 0.233 0.000 1.067 288 R CA 0.766 56.973 56.100 0.178 0.000 1.010 288 R CB 0.016 30.388 30.300 0.120 0.000 0.922 288 R HN 0.628 nan 8.270 nan 0.000 0.457 289 E N 0.272 120.591 120.200 0.200 0.000 2.290 289 E HA 0.326 4.677 4.350 0.001 0.000 0.274 289 E C -1.539 175.165 176.600 0.174 0.000 0.889 289 E CA -0.712 55.815 56.400 0.212 0.000 0.760 289 E CB 2.460 32.251 29.700 0.151 0.000 1.206 289 E HN -0.189 nan 8.360 nan 0.000 0.419 290 L N 2.815 124.187 121.223 0.249 0.000 2.343 290 L HA 0.454 4.795 4.340 0.001 0.000 0.278 290 L C -1.032 175.920 176.870 0.136 0.000 0.996 290 L CA -0.220 54.724 54.840 0.173 0.000 0.831 290 L CB 1.085 43.329 42.059 0.307 0.000 1.232 290 L HN 0.434 nan 8.230 nan 0.000 0.413 291 R N 3.587 124.126 120.500 0.065 0.000 2.486 291 R HA 0.540 4.880 4.340 0.001 0.000 0.286 291 R C -1.015 175.269 176.300 -0.025 0.000 0.999 291 R CA -1.092 55.029 56.100 0.035 0.000 0.993 291 R CB 1.522 31.835 30.300 0.022 0.000 1.084 291 R HN 0.490 nan 8.270 nan 0.000 0.487 292 L N 1.256 122.418 121.223 -0.102 0.000 2.367 292 L HA 0.176 4.517 4.340 0.001 0.000 0.275 292 L C -0.160 176.634 176.870 -0.127 0.000 1.129 292 L CA 0.730 55.463 54.840 -0.177 0.000 0.839 292 L CB 1.435 43.230 42.059 -0.441 0.000 1.133 292 L HN 0.508 nan 8.230 nan 0.000 0.453 293 S N 1.634 117.276 115.700 -0.097 0.000 2.525 293 S HA 0.387 4.858 4.470 0.001 0.000 0.290 293 S C 0.398 174.954 174.600 -0.073 0.000 1.152 293 S CA -0.424 57.729 58.200 -0.079 0.000 1.072 293 S CB 0.909 64.067 63.200 -0.070 0.000 1.027 293 S HN 0.774 nan 8.310 nan 0.000 0.500 294 D N 2.828 123.194 120.400 -0.057 0.000 2.305 294 D HA 0.153 4.794 4.640 0.001 0.000 0.206 294 D C 1.037 177.322 176.300 -0.024 0.000 0.974 294 D CA 0.067 54.044 54.000 -0.040 0.000 0.871 294 D CB -0.718 40.065 40.800 -0.028 0.000 0.947 294 D HN 0.510 nan 8.370 nan 0.000 0.516 295 G N -0.349 108.440 108.800 -0.019 0.000 2.403 295 G HA2 0.517 4.478 3.960 0.001 0.000 0.259 295 G HA3 0.517 4.478 3.960 0.001 0.000 0.259 295 G C -0.230 174.662 174.900 -0.013 0.000 1.244 295 G CA 0.149 45.249 45.100 -0.001 0.000 0.849 295 G HN 0.471 nan 8.290 nan 0.000 0.532 296 A N 1.826 124.647 122.820 0.003 0.000 5.168 296 A HA 0.613 4.933 4.320 0.001 0.000 0.202 296 A C 1.250 178.847 177.584 0.022 0.000 0.857 296 A CA 0.203 52.240 52.037 0.001 0.000 0.757 296 A CB -0.445 18.542 19.000 -0.022 0.000 1.957 296 A HN 1.247 nan 8.150 nan 0.000 0.959 297 L N 0.516 121.746 121.223 0.011 0.000 2.013 297 L HA -0.129 4.212 4.340 0.001 0.000 0.212 297 L C 2.395 179.284 176.870 0.031 0.000 1.073 297 L CA 2.660 57.516 54.840 0.025 0.000 0.753 297 L CB -0.646 41.419 42.059 0.009 0.000 0.890 297 L HN 0.665 nan 8.230 nan 0.000 0.432 298 R N -0.815 119.689 120.500 0.008 0.000 2.092 298 R HA -0.154 4.187 4.340 0.001 0.000 0.231 298 R C 2.092 178.421 176.300 0.048 0.000 1.119 298 R CA 1.518 57.624 56.100 0.011 0.000 0.970 298 R CB -0.242 30.046 30.300 -0.021 0.000 0.864 298 R HN 0.415 nan 8.270 nan 0.000 0.440 299 E N -0.354 119.894 120.200 0.080 0.000 2.072 299 E HA -0.068 4.283 4.350 0.001 0.000 0.190 299 E C 1.991 178.739 176.600 0.247 0.000 0.982 299 E CA 1.243 57.748 56.400 0.174 0.000 0.803 299 E CB -0.490 29.331 29.700 0.202 0.000 0.755 299 E HN 0.428 nan 8.360 nan 0.000 0.453 300 G N 0.722 109.625 108.800 0.171 0.000 2.491 300 G HA2 -0.298 3.663 3.960 0.001 0.000 0.218 300 G HA3 -0.298 3.663 3.960 0.001 0.000 0.218 300 G C 1.759 176.741 174.900 0.137 0.000 1.180 300 G CA 1.288 46.491 45.100 0.171 0.000 0.774 300 G HN 0.203 nan 8.290 nan 0.000 0.562 301 V N 1.061 121.028 119.914 0.087 0.000 2.252 301 V HA -0.206 3.915 4.120 0.001 0.000 0.249 301 V C 2.973 179.079 176.094 0.020 0.000 1.056 301 V CA 1.900 64.228 62.300 0.046 0.000 1.022 301 V CB -0.582 31.258 31.823 0.029 0.000 0.641 301 V HN 0.375 nan 8.190 nan 0.000 0.445 302 L N -1.664 119.578 121.223 0.033 0.000 2.042 302 L HA -0.234 4.107 4.340 0.001 0.000 0.210 302 L C 2.500 179.260 176.870 -0.184 0.000 1.076 302 L CA 1.948 56.783 54.840 -0.008 0.000 0.749 302 L CB -0.704 41.372 42.059 0.028 0.000 0.893 302 L HN 0.308 nan 8.230 nan 0.000 0.432 303 Y N -0.369 119.842 120.300 -0.149 0.000 2.293 303 Y HA -0.086 4.464 4.550 0.001 0.000 0.291 303 Y C 1.896 177.664 175.900 -0.219 0.000 1.137 303 Y CA 0.346 58.269 58.100 -0.295 0.000 1.202 303 Y CB -0.076 38.000 38.460 -0.641 0.000 0.990 303 Y HN 0.122 nan 8.280 nan 0.000 0.537 307 G N 2.084 110.805 108.800 -0.132 0.000 2.440 307 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 307 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 307 G C 1.636 176.508 174.900 -0.047 0.000 1.154 307 G CA 1.049 46.120 45.100 -0.049 0.000 0.767 307 G HN 0.137 nan 8.290 nan 0.000 0.552 308 R N -0.845 119.613 120.500 -0.071 0.000 2.115 308 R HA -0.000 4.340 4.340 0.001 0.000 0.230 308 R C 2.259 178.467 176.300 -0.154 0.000 1.111 308 R CA 0.917 56.966 56.100 -0.084 0.000 0.976 308 R CB -0.511 29.750 30.300 -0.066 0.000 0.870 308 R HN 0.438 nan 8.270 nan 0.000 0.445 309 F N 2.209 121.998 119.950 -0.269 0.000 2.095 309 F HA -0.197 4.331 4.527 0.001 0.000 0.298 309 F C 1.590 177.178 175.800 -0.352 0.000 1.104 309 F CA 1.595 59.417 58.000 -0.295 0.000 1.232 309 F CB 0.068 38.914 39.000 -0.256 0.000 0.987 309 F HN -0.182 nan 8.300 nan 0.000 0.475 310 R N -0.537 119.899 120.500 -0.107 0.000 2.363 310 R HA 0.067 4.408 4.340 0.001 0.000 0.236 310 R C -0.465 175.834 176.300 -0.002 0.000 0.966 310 R CA 0.611 56.673 56.100 -0.063 0.000 1.100 310 R CB -0.905 29.445 30.300 0.083 0.000 1.125 310 R HN 0.509 nan 8.270 nan 0.000 0.514 311 H N -0.697 118.323 119.070 -0.083 0.000 3.022 311 H HA -0.130 4.426 4.556 0.001 0.000 0.258 311 H C -0.689 174.628 175.328 -0.018 0.000 1.212 311 H CA 0.640 56.653 56.048 -0.058 0.000 1.126 311 H CB -1.418 28.301 29.762 -0.072 0.000 1.267 311 H HN 0.307 nan 8.280 nan 0.000 0.345 312 Q N 1.251 121.075 119.800 0.040 0.000 2.466 312 Q HA 0.247 4.588 4.340 0.001 0.000 0.242 312 Q C -0.519 175.496 176.000 0.025 0.000 1.046 312 Q CA -0.260 55.566 55.803 0.039 0.000 0.841 312 Q CB 1.689 30.442 28.738 0.025 0.000 1.193 312 Q HN 0.272 nan 8.270 nan 0.000 0.508 313 D N 2.437 122.865 120.400 0.047 0.000 2.414 313 D HA 0.071 4.712 4.640 0.001 0.000 0.232 313 D C 0.682 176.999 176.300 0.028 0.000 1.070 313 D CA -0.515 53.508 54.000 0.038 0.000 0.839 313 D CB 2.030 42.882 40.800 0.088 0.000 1.079 313 D HN 0.200 nan 8.370 nan 0.000 0.521 314 V N 5.499 125.408 119.914 -0.008 0.000 2.688 314 V HA -0.208 3.913 4.120 0.001 0.000 0.256 314 V C 2.160 178.217 176.094 -0.062 0.000 1.084 314 V CA 1.732 64.024 62.300 -0.013 0.000 1.103 314 V CB -0.260 31.563 31.823 -0.000 0.000 0.688 314 V HN 0.516 nan 8.190 nan 0.000 0.480 315 R N -0.503 119.895 120.500 -0.170 0.000 2.193 315 R HA -0.108 4.233 4.340 0.001 0.000 0.229 315 R C 2.423 178.567 176.300 -0.260 0.000 1.110 315 R CA 1.499 57.362 56.100 -0.395 0.000 0.988 315 R CB -0.343 29.403 30.300 -0.922 0.000 0.871 315 R HN 0.518 nan 8.270 nan 0.000 0.458 316 S N 0.341 116.069 115.700 0.047 0.000 2.371 316 S HA -0.078 4.393 4.470 0.001 0.000 0.224 316 S C 1.804 176.462 174.600 0.097 0.000 1.029 316 S CA 0.736 59.064 58.200 0.214 0.000 0.978 316 S CB -0.072 63.277 63.200 0.249 0.000 0.833 316 S HN 0.313 nan 8.310 nan 0.000 0.466 317 R N 0.815 121.345 120.500 0.051 0.000 2.075 317 R HA -0.081 4.259 4.340 0.001 0.000 0.232 317 R C 2.239 178.549 176.300 0.016 0.000 1.126 317 R CA 1.658 57.781 56.100 0.038 0.000 0.963 317 R CB -0.587 29.734 30.300 0.034 0.000 0.858 317 R HN 0.306 nan 8.270 nan 0.000 0.435 318 T N 0.584 115.133 114.554 -0.007 0.000 2.665 318 T HA -0.192 4.159 4.350 0.001 0.000 0.268 318 T C 1.741 176.417 174.700 -0.041 0.000 1.035 318 T CA 1.579 63.675 62.100 -0.006 0.000 1.151 318 T CB -0.281 68.622 68.868 0.059 0.000 0.862 318 T HN 0.459 nan 8.240 nan 0.000 0.438 319 A N 0.946 123.706 122.820 -0.100 0.000 1.873 319 A HA -0.068 4.253 4.320 0.001 0.000 0.215 319 A C 2.641 180.241 177.584 0.026 0.000 1.186 319 A CA 1.944 53.925 52.037 -0.093 0.000 0.616 319 A CB -0.879 18.031 19.000 -0.151 0.000 0.823 319 A HN 0.432 nan 8.150 nan 0.000 0.442 320 S N 0.241 115.975 115.700 0.056 0.000 2.356 320 S HA -0.128 4.342 4.470 0.001 0.000 0.223 320 S C 2.320 176.942 174.600 0.037 0.000 1.032 320 S CA 1.568 59.806 58.200 0.062 0.000 1.005 320 S CB -0.345 62.896 63.200 0.068 0.000 0.867 320 S HN 0.653 nan 8.310 nan 0.000 0.449 321 S N 1.524 117.238 115.700 0.024 0.000 2.383 321 S HA -0.062 4.409 4.470 0.001 0.000 0.229 321 S C 1.767 176.377 174.600 0.018 0.000 1.030 321 S CA 0.855 59.062 58.200 0.012 0.000 1.002 321 S CB -0.415 62.790 63.200 0.007 0.000 0.829 321 S HN 0.229 nan 8.310 nan 0.000 0.467 322 L N 1.665 122.911 121.223 0.038 0.000 2.056 322 L HA 0.021 4.362 4.340 0.001 0.000 0.207 322 L C 2.478 179.428 176.870 0.132 0.000 1.078 322 L CA 1.673 56.574 54.840 0.102 0.000 0.749 322 L CB -1.094 40.988 42.059 0.038 0.000 0.901 322 L HN 0.281 nan 8.230 nan 0.000 0.433 323 A N -0.714 122.147 122.820 0.069 0.000 1.902 323 A HA -0.214 4.106 4.320 0.001 0.000 0.217 323 A C 2.088 179.688 177.584 0.027 0.000 1.181 323 A CA 1.855 53.930 52.037 0.064 0.000 0.623 323 A CB -0.658 18.380 19.000 0.062 0.000 0.818 323 A HN 0.541 nan 8.150 nan 0.000 0.443 324 N N -0.385 118.310 118.700 -0.009 0.000 2.106 324 N HA -0.175 4.566 4.740 0.001 0.000 0.188 324 N C 1.888 177.234 175.510 -0.275 0.000 1.029 324 N CA 1.537 54.539 53.050 -0.080 0.000 0.848 324 N CB -0.581 37.883 38.487 -0.040 0.000 1.007 324 N HN 0.727 nan 8.380 nan 0.000 0.423 325 Q N -0.495 119.176 119.800 -0.214 0.000 2.112 325 Q HA -0.155 4.186 4.340 0.001 0.000 0.206 325 Q C 0.694 176.321 176.000 -0.621 0.000 0.987 325 Q CA 1.504 57.082 55.803 -0.375 0.000 0.858 325 Q CB -0.044 28.541 28.738 -0.255 0.000 0.905 325 Q HN 0.491 nan 8.270 nan 0.000 0.420 326 Y N -0.981 119.154 120.300 -0.275 0.000 2.485 326 Y HA 0.116 4.667 4.550 0.001 0.000 0.260 326 Y C -0.334 175.528 175.900 -0.062 0.000 1.173 326 Y CA 0.023 58.038 58.100 -0.142 0.000 1.252 326 Y CB 0.493 38.925 38.460 -0.047 0.000 1.123 326 Y HN 0.197 nan 8.280 nan 0.000 0.524 327 H N -0.528 118.604 119.070 0.103 0.000 2.692 327 H HA -0.175 4.382 4.556 0.001 0.000 0.316 327 H C 0.161 175.535 175.328 0.076 0.000 1.176 327 H CA 0.619 56.708 56.048 0.068 0.000 1.142 327 H CB -2.182 27.606 29.762 0.042 0.000 1.475 327 H HN 0.455 nan 8.280 nan 0.000 0.423 328 I N -1.785 118.867 120.570 0.137 0.000 2.696 328 I HA 0.158 4.329 4.170 0.001 0.000 0.284 328 I C 0.911 177.077 176.117 0.082 0.000 1.129 328 I CA -0.160 61.195 61.300 0.092 0.000 1.410 328 I CB 0.734 38.760 38.000 0.044 0.000 1.399 328 I HN -0.018 nan 8.210 nan 0.000 0.579 329 D N 4.147 124.585 120.400 0.063 0.000 2.349 329 D HA 0.045 4.686 4.640 0.001 0.000 0.266 329 D C 0.819 177.154 176.300 0.058 0.000 1.293 329 D CA 0.406 54.443 54.000 0.061 0.000 0.926 329 D CB 0.907 41.742 40.800 0.058 0.000 1.090 329 D HN 0.720 nan 8.370 nan 0.000 0.502 330 S N 3.485 119.223 115.700 0.063 0.000 2.383 330 S HA -0.160 4.311 4.470 0.001 0.000 0.229 330 S C 1.566 176.203 174.600 0.063 0.000 1.030 330 S CA 0.860 59.098 58.200 0.063 0.000 1.002 330 S CB 0.084 63.320 63.200 0.060 0.000 0.829 330 S HN 0.615 nan 8.310 nan 0.000 0.467 331 E N 0.984 121.221 120.200 0.060 0.000 2.152 331 E HA -0.140 4.211 4.350 0.001 0.000 0.192 331 E C 2.114 178.758 176.600 0.072 0.000 0.983 331 E CA 0.716 57.152 56.400 0.060 0.000 0.818 331 E CB -0.338 29.395 29.700 0.054 0.000 0.758 331 E HN 0.446 nan 8.360 nan 0.000 0.467 332 Q N 1.424 121.271 119.800 0.079 0.000 2.079 332 Q HA -0.048 4.293 4.340 0.001 0.000 0.200 332 Q C 2.077 178.157 176.000 0.132 0.000 0.974 332 Q CA 1.846 57.710 55.803 0.103 0.000 0.840 332 Q CB -0.381 28.417 28.738 0.100 0.000 0.898 332 Q HN 0.232 nan 8.270 nan 0.000 0.430 333 A N 1.258 124.148 122.820 0.116 0.000 1.883 333 A HA -0.238 4.083 4.320 0.001 0.000 0.217 333 A C 2.154 179.803 177.584 0.109 0.000 1.186 333 A CA 1.865 53.986 52.037 0.141 0.000 0.624 333 A CB -0.827 18.235 19.000 0.103 0.000 0.822 333 A HN 0.441 nan 8.150 nan 0.000 0.444 334 R N -0.116 120.432 120.500 0.080 0.000 2.075 334 R HA -0.100 4.241 4.340 0.001 0.000 0.232 334 R C 2.175 178.508 176.300 0.054 0.000 1.126 334 R CA 1.585 57.720 56.100 0.058 0.000 0.963 334 R CB -0.557 29.773 30.300 0.049 0.000 0.858 334 R HN 0.543 nan 8.270 nan 0.000 0.435 335 R N 0.161 120.701 120.500 0.066 0.000 2.094 335 R HA -0.120 4.220 4.340 0.001 0.000 0.239 335 R C 2.402 178.738 176.300 0.061 0.000 1.137 335 R CA 2.003 58.143 56.100 0.066 0.000 0.943 335 R CB -0.442 29.907 30.300 0.082 0.000 0.850 335 R HN 0.121 nan 8.270 nan 0.000 0.433 336 V N 1.176 121.133 119.914 0.071 0.000 2.358 336 V HA -0.213 3.908 4.120 0.001 0.000 0.246 336 V C 2.222 178.317 176.094 0.002 0.000 1.047 336 V CA 1.388 63.707 62.300 0.031 0.000 1.035 336 V CB -0.436 31.389 31.823 0.003 0.000 0.658 336 V HN 0.249 nan 8.190 nan 0.000 0.452 337 L N 0.484 121.716 121.223 0.016 0.000 1.989 337 L HA -0.202 4.138 4.340 0.001 0.000 0.211 337 L C 2.127 178.992 176.870 -0.007 0.000 1.071 337 L CA 2.219 57.055 54.840 -0.006 0.000 0.749 337 L CB -0.900 41.160 42.059 0.003 0.000 0.890 337 L HN 0.300 nan 8.230 nan 0.000 0.431 338 D N -1.009 119.396 120.400 0.007 0.000 2.104 338 D HA -0.175 4.466 4.640 0.001 0.000 0.194 338 D C 2.092 178.396 176.300 0.007 0.000 0.994 338 D CA 2.018 56.021 54.000 0.006 0.000 0.830 338 D CB -0.476 40.332 40.800 0.013 0.000 0.959 338 D HN 0.397 nan 8.370 nan 0.000 0.452 339 T N 0.830 115.392 114.554 0.015 0.000 2.708 339 T HA -0.082 4.268 4.350 0.001 0.000 0.266 339 T C 1.235 175.947 174.700 0.020 0.000 1.037 339 T CA 1.154 63.263 62.100 0.015 0.000 1.146 339 T CB -0.509 68.379 68.868 0.035 0.000 0.865 339 T HN 0.149 nan 8.240 nan 0.000 0.435 345 E N 1.296 121.584 120.200 0.147 0.000 2.153 345 E HA -0.158 4.193 4.350 0.001 0.000 0.194 345 E C 1.741 178.284 176.600 -0.095 0.000 0.988 345 E CA 2.161 58.586 56.400 0.042 0.000 0.811 345 E CB 0.007 29.748 29.700 0.067 0.000 0.746 345 E HN 0.726 nan 8.360 nan 0.000 0.466 346 Q N -1.571 118.171 119.800 -0.097 0.000 2.083 346 Q HA -0.123 4.218 4.340 0.001 0.000 0.198 346 Q C 1.830 177.703 176.000 -0.212 0.000 0.969 346 Q CA 1.309 57.021 55.803 -0.151 0.000 0.838 346 Q CB -0.350 28.298 28.738 -0.150 0.000 0.900 346 Q HN 0.438 nan 8.270 nan 0.000 0.436 347 W N 1.782 122.838 121.300 -0.406 0.000 2.358 347 W HA -0.157 4.503 4.660 0.001 0.000 0.303 347 W C 2.167 178.437 176.519 -0.414 0.000 1.208 347 W CA 1.300 58.362 57.345 -0.472 0.000 1.274 347 W CB -0.054 29.102 29.460 -0.505 0.000 1.138 347 W HN -0.067 nan 8.180 nan 0.000 0.515 348 R N 0.615 120.775 120.500 -0.566 0.000 2.080 348 R HA -0.225 4.116 4.340 0.001 0.000 0.236 348 R C 2.109 178.083 176.300 -0.543 0.000 1.137 348 R CA 2.356 58.033 56.100 -0.704 0.000 0.943 348 R CB -0.659 29.377 30.300 -0.440 0.000 0.846 348 R HN 0.273 nan 8.270 nan 0.000 0.431 349 E N 0.016 119.998 120.200 -0.364 0.000 2.130 349 E HA -0.250 4.101 4.350 0.001 0.000 0.196 349 E C 2.068 178.486 176.600 -0.302 0.000 0.998 349 E CA 1.677 57.913 56.400 -0.273 0.000 0.806 349 E CB 0.016 29.596 29.700 -0.199 0.000 0.738 349 E HN 0.493 nan 8.360 nan 0.000 0.459 350 Q N -0.503 119.071 119.800 -0.377 0.000 2.424 350 Q HA 0.025 4.365 4.340 0.001 0.000 0.204 350 Q C 0.386 176.140 176.000 -0.410 0.000 0.933 350 Q CA 0.475 56.070 55.803 -0.346 0.000 0.929 350 Q CB 0.579 29.122 28.738 -0.326 0.000 1.037 350 Q HN 0.122 nan 8.270 nan 0.000 0.511 351 Q N -0.398 119.034 119.800 -0.613 0.000 2.706 351 Q HA 0.110 4.451 4.340 0.001 0.000 0.335 351 Q C -2.074 173.549 176.000 -0.628 0.000 0.796 351 Q CA -0.979 54.450 55.803 -0.623 0.000 1.046 351 Q CB 1.162 29.431 28.738 -0.781 0.000 1.448 351 Q HN 0.082 nan 8.270 nan 0.000 0.385 352 P HA -0.238 nan 4.420 nan 0.000 0.220 352 P C 0.935 178.065 177.300 -0.284 0.000 1.148 352 P CA 1.154 64.043 63.100 -0.352 0.000 0.803 352 P CB 0.232 31.788 31.700 -0.241 0.000 0.782 353 K N 0.360 120.625 120.400 -0.224 0.000 2.283 353 K HA -0.032 4.289 4.320 0.001 0.000 0.202 353 K C 1.792 178.321 176.600 -0.119 0.000 1.048 353 K CA 0.961 57.165 56.287 -0.140 0.000 0.948 353 K CB -0.641 31.812 32.500 -0.078 0.000 0.742 353 K HN 0.188 nan 8.250 nan 0.000 0.458 354 L N 0.851 121.984 121.223 -0.151 0.000 2.585 354 L HA 0.250 4.591 4.340 0.001 0.000 0.226 354 L C 0.890 177.796 176.870 0.060 0.000 1.113 354 L CA -0.403 54.460 54.840 0.038 0.000 0.876 354 L CB 0.247 42.398 42.059 0.153 0.000 1.072 354 L HN 0.157 nan 8.230 nan 0.000 0.468 355 A N -0.196 122.486 122.820 -0.231 0.000 2.309 355 A HA 0.542 4.863 4.320 0.001 0.000 0.298 355 A C -0.722 176.657 177.584 -0.341 0.000 1.165 355 A CA -0.079 51.916 52.037 -0.069 0.000 0.821 355 A CB 0.163 19.067 19.000 -0.161 0.000 1.102 355 A HN 0.235 nan 8.150 nan 0.000 0.500 356 H N 2.432 121.662 119.070 0.267 0.000 3.017 356 H HA 0.210 4.767 4.556 0.001 0.000 0.340 356 H C -2.323 173.111 175.328 0.177 0.000 1.014 356 H CA -1.344 54.823 56.048 0.199 0.000 1.341 356 H CB 1.917 31.805 29.762 0.210 0.000 1.739 356 H HN 0.380 nan 8.280 nan 0.000 0.506 357 P HA -0.162 nan 4.420 nan 0.000 0.218 357 P C 1.668 179.018 177.300 0.083 0.000 1.148 357 P CA 1.170 64.340 63.100 0.117 0.000 0.822 357 P CB 0.629 32.381 31.700 0.087 0.000 0.784 358 Q N -0.360 119.531 119.800 0.151 0.000 2.061 358 Q HA -0.176 4.165 4.340 0.001 0.000 0.204 358 Q C 1.989 178.035 176.000 0.078 0.000 0.984 358 Q CA 1.440 57.333 55.803 0.149 0.000 0.846 358 Q CB -0.564 28.326 28.738 0.252 0.000 0.902 358 Q HN 0.234 nan 8.270 nan 0.000 0.421 359 L N 0.141 121.411 121.223 0.079 0.000 2.131 359 L HA -0.114 4.227 4.340 0.001 0.000 0.206 359 L C 2.515 179.341 176.870 -0.074 0.000 1.087 359 L CA 0.980 55.788 54.840 -0.054 0.000 0.767 359 L CB -0.364 41.700 42.059 0.008 0.000 0.917 359 L HN 0.369 nan 8.230 nan 0.000 0.441 360 E N 0.625 120.794 120.200 -0.052 0.000 2.058 360 E HA -0.283 4.067 4.350 0.001 0.000 0.194 360 E C 2.195 178.589 176.600 -0.343 0.000 0.997 360 E CA 1.382 57.605 56.400 -0.295 0.000 0.801 360 E CB -0.005 29.504 29.700 -0.318 0.000 0.746 360 E HN 0.453 nan 8.360 nan 0.000 0.450 361 A N 1.107 123.746 122.820 -0.302 0.000 1.908 361 A HA -0.181 4.140 4.320 0.001 0.000 0.218 361 A C 2.237 179.531 177.584 -0.484 0.000 1.181 361 A CA 1.375 53.091 52.037 -0.534 0.000 0.627 361 A CB -0.696 18.001 19.000 -0.506 0.000 0.818 361 A HN 0.338 nan 8.150 nan 0.000 0.445 362 L N -1.222 119.931 121.223 -0.117 0.000 2.141 362 L HA -0.134 4.207 4.340 0.001 0.000 0.209 362 L C 2.524 179.407 176.870 0.021 0.000 1.094 362 L CA 0.981 55.893 54.840 0.120 0.000 0.763 362 L CB -0.444 41.636 42.059 0.035 0.000 0.908 362 L HN 0.488 nan 8.230 nan 0.000 0.437 363 L N -0.055 121.098 121.223 -0.116 0.000 2.056 363 L HA -0.166 4.174 4.340 0.001 0.000 0.207 363 L C 2.690 179.485 176.870 -0.127 0.000 1.078 363 L CA 1.621 56.389 54.840 -0.120 0.000 0.749 363 L CB -0.421 41.532 42.059 -0.177 0.000 0.901 363 L HN 0.062 nan 8.230 nan 0.000 0.433 364 R N -1.352 119.006 120.500 -0.237 0.000 2.083 364 R HA -0.205 4.135 4.340 0.001 0.000 0.237 364 R C 2.158 178.397 176.300 -0.102 0.000 1.137 364 R CA 2.018 57.971 56.100 -0.246 0.000 0.951 364 R CB -0.638 29.412 30.300 -0.416 0.000 0.851 364 R HN 0.447 nan 8.270 nan 0.000 0.434 365 W N 0.508 121.809 121.300 0.002 0.000 2.358 365 W HA -0.051 4.610 4.660 0.001 0.000 0.303 365 W C 2.423 178.948 176.519 0.011 0.000 1.208 365 W CA 0.882 58.246 57.345 0.031 0.000 1.274 365 W CB -0.895 28.619 29.460 0.090 0.000 1.138 365 W HN 0.230 nan 8.180 nan 0.000 0.515 366 A N 0.574 123.512 122.820 0.198 0.000 1.877 366 A HA 0.096 4.416 4.320 0.001 0.000 0.216 366 A C 1.690 179.321 177.584 0.079 0.000 1.186 366 A CA 1.628 53.728 52.037 0.105 0.000 0.620 366 A CB -1.215 17.818 19.000 0.054 0.000 0.822 366 A HN 0.062 nan 8.150 nan 0.000 0.443 370 H N 0.422 119.450 119.070 -0.070 0.000 2.518 370 H HA -0.001 4.556 4.556 0.001 0.000 0.289 370 H C 0.681 175.976 175.328 -0.055 0.000 1.051 370 H CA 1.343 57.308 56.048 -0.139 0.000 1.280 370 H CB 0.137 29.642 29.762 -0.427 0.000 1.380 370 H HN 0.517 nan 8.280 nan 0.000 0.566 371 E N 0.736 120.665 120.200 -0.452 0.000 2.501 371 E HA 0.078 4.429 4.350 0.001 0.000 0.200 371 E C 1.596 178.132 176.600 -0.107 0.000 1.016 371 E CA -0.107 56.129 56.400 -0.273 0.000 0.921 371 E CB 0.752 30.255 29.700 -0.327 0.000 1.034 371 E HN 0.168 nan 8.360 nan 0.000 0.468 372 V N 0.804 120.643 119.914 -0.125 0.000 2.568 372 V HA -0.146 3.975 4.120 0.001 0.000 0.253 372 V C 1.775 177.753 176.094 -0.194 0.000 1.072 372 V CA 2.164 64.354 62.300 -0.183 0.000 1.084 372 V CB -0.172 31.459 31.823 -0.320 0.000 0.676 372 V HN 0.388 nan 8.190 nan 0.000 0.469 373 G N -0.640 108.110 108.800 -0.083 0.000 3.124 373 G HA2 -0.019 3.941 3.960 0.001 0.000 0.212 373 G HA3 -0.019 3.941 3.960 0.001 0.000 0.212 373 G C 1.294 176.257 174.900 0.105 0.000 1.181 373 G CA 0.441 45.554 45.100 0.022 0.000 0.803 373 G HN 0.628 nan 8.290 nan 0.000 0.529 374 L N -1.132 120.151 121.223 0.100 0.000 2.131 374 L HA 0.059 4.400 4.340 0.001 0.000 0.210 374 L C 1.859 178.812 176.870 0.138 0.000 1.092 374 L CA 1.759 56.681 54.840 0.136 0.000 0.759 374 L CB -0.294 41.844 42.059 0.131 0.000 0.903 374 L HN 0.140 nan 8.230 nan 0.000 0.435 375 N N -0.162 118.626 118.700 0.145 0.000 2.463 375 N HA 0.084 4.825 4.740 0.001 0.000 0.181 375 N C 1.669 177.221 175.510 0.070 0.000 1.078 375 N CA 0.852 53.975 53.050 0.122 0.000 0.902 375 N CB 0.013 38.596 38.487 0.160 0.000 0.970 375 N HN 0.405 nan 8.380 nan 0.000 0.451 376 I N -0.233 120.361 120.570 0.040 0.000 2.162 376 I HA -0.060 4.111 4.170 0.001 0.000 0.238 376 I C 0.517 176.563 176.117 -0.118 0.000 1.076 376 I CA 0.789 62.031 61.300 -0.096 0.000 1.353 376 I CB 0.081 37.949 38.000 -0.221 0.000 1.063 376 I HN 0.176 nan 8.210 nan 0.000 0.408 377 N N -1.699 116.994 118.700 -0.011 0.000 3.217 377 N HA 0.021 4.761 4.740 0.001 0.000 0.236 377 N C -0.016 175.642 175.510 0.248 0.000 1.136 377 N CA -0.397 52.714 53.050 0.102 0.000 0.997 377 N CB 0.822 39.333 38.487 0.039 0.000 1.658 377 N HN 0.030 nan 8.380 nan 0.000 0.527 378 H N 0.947 120.094 119.070 0.127 0.000 2.389 378 H HA 0.124 4.680 4.556 0.001 0.000 0.299 378 H C 0.302 175.708 175.328 0.130 0.000 1.081 378 H CA 1.898 58.020 56.048 0.123 0.000 1.345 378 H CB 0.265 30.080 29.762 0.089 0.000 1.393 378 H HN 0.462 nan 8.280 nan 0.000 0.520 379 S N -0.438 115.366 115.700 0.174 0.000 2.505 379 S HA 0.369 4.839 4.470 0.001 0.000 0.276 379 S C 1.199 175.846 174.600 0.078 0.000 1.274 379 S CA -0.115 58.148 58.200 0.106 0.000 1.053 379 S CB 0.919 64.197 63.200 0.130 0.000 0.919 379 S HN 0.781 nan 8.310 nan 0.000 0.490 380 G N 1.330 110.093 108.800 -0.061 0.000 2.143 380 G HA2 -0.264 3.696 3.960 0.001 0.000 0.248 380 G HA3 -0.264 3.696 3.960 0.001 0.000 0.248 380 G C 0.408 174.884 174.900 -0.707 0.000 0.991 380 G CA 0.241 45.124 45.100 -0.362 0.000 0.689 380 G HN 0.826 nan 8.290 nan 0.000 0.522 381 L N 1.090 122.152 121.223 -0.268 0.000 2.021 381 L HA -0.123 4.218 4.340 0.001 0.000 0.215 381 L C 2.744 179.527 176.870 -0.145 0.000 1.074 381 L CA 3.406 58.162 54.840 -0.140 0.000 0.760 381 L CB -0.997 41.026 42.059 -0.059 0.000 0.889 381 L HN 0.754 nan 8.230 nan 0.000 0.433 382 H N -1.737 117.207 119.070 -0.211 0.000 2.394 382 H HA -0.177 4.380 4.556 0.001 0.000 0.297 382 H C 2.186 177.398 175.328 -0.193 0.000 1.113 382 H CA 1.786 57.714 56.048 -0.201 0.000 1.277 382 H CB -0.503 28.937 29.762 -0.536 0.000 1.370 382 H HN 0.368 nan 8.280 nan 0.000 0.506 383 R N -0.194 119.789 120.500 -0.862 0.000 2.093 383 R HA -0.053 4.288 4.340 0.001 0.000 0.224 383 R C 2.086 178.239 176.300 -0.245 0.000 1.101 383 R CA 1.104 56.852 56.100 -0.587 0.000 0.979 383 R CB -0.099 29.799 30.300 -0.671 0.000 0.877 383 R HN 0.548 nan 8.270 nan 0.000 0.441 384 H N -0.076 118.913 119.070 -0.134 0.000 2.363 384 H HA 0.084 4.640 4.556 0.001 0.000 0.301 384 H C 2.187 177.501 175.328 -0.023 0.000 1.074 384 H CA 1.122 57.134 56.048 -0.059 0.000 1.354 384 H CB -0.293 29.431 29.762 -0.064 0.000 1.397 384 H HN 0.045 nan 8.280 nan 0.000 0.516 385 S N 0.738 116.470 115.700 0.054 0.000 2.368 385 S HA -0.100 4.371 4.470 0.001 0.000 0.225 385 S C 2.449 177.041 174.600 -0.014 0.000 1.030 385 S CA 0.929 59.128 58.200 -0.001 0.000 0.999 385 S CB -0.260 62.962 63.200 0.036 0.000 0.844 385 S HN 0.563 nan 8.310 nan 0.000 0.459 386 A N 0.416 123.233 122.820 -0.005 0.000 1.902 386 A HA -0.111 4.210 4.320 0.001 0.000 0.217 386 A C 1.928 179.501 177.584 -0.019 0.000 1.181 386 A CA 1.475 53.495 52.037 -0.029 0.000 0.623 386 A CB -0.987 17.968 19.000 -0.075 0.000 0.818 386 A HN 0.560 nan 8.150 nan 0.000 0.443 387 Y N 0.489 120.743 120.300 -0.076 0.000 2.128 387 Y HA -0.234 4.317 4.550 0.001 0.000 0.284 387 Y C 2.084 177.947 175.900 -0.063 0.000 1.154 387 Y CA 2.051 60.119 58.100 -0.054 0.000 1.149 387 Y CB -0.235 38.214 38.460 -0.019 0.000 0.976 387 Y HN 0.283 nan 8.280 nan 0.000 0.505 388 I N -0.486 120.122 120.570 0.064 0.000 2.179 388 I HA -0.350 3.820 4.170 0.001 0.000 0.242 388 I C 2.256 178.278 176.117 -0.159 0.000 1.088 388 I CA 1.389 62.655 61.300 -0.057 0.000 1.357 388 I CB -0.468 37.417 38.000 -0.191 0.000 1.051 388 I HN 0.248 nan 8.210 nan 0.000 0.409 389 L N -0.074 121.050 121.223 -0.165 0.000 2.083 389 L HA -0.240 4.100 4.340 0.001 0.000 0.209 389 L C 2.652 179.404 176.870 -0.197 0.000 1.083 389 L CA 1.377 56.103 54.840 -0.189 0.000 0.752 389 L CB -0.535 41.430 42.059 -0.156 0.000 0.899 389 L HN 0.336 nan 8.230 nan 0.000 0.433 390 Q N 0.208 119.892 119.800 -0.194 0.000 2.172 390 Q HA -0.154 4.187 4.340 0.001 0.000 0.200 390 Q C 1.345 177.209 176.000 -0.226 0.000 0.964 390 Q CA 1.562 57.248 55.803 -0.194 0.000 0.855 390 Q CB 0.201 28.820 28.738 -0.199 0.000 0.918 390 Q HN 0.566 nan 8.270 nan 0.000 0.444 391 N N -1.014 117.506 118.700 -0.299 0.000 2.220 391 N HA 0.089 4.830 4.740 0.001 0.000 0.195 391 N C -0.517 174.904 175.510 -0.148 0.000 1.123 391 N CA -0.224 52.661 53.050 -0.274 0.000 0.874 391 N CB 0.910 39.105 38.487 -0.487 0.000 0.995 391 N HN -0.092 nan 8.380 nan 0.000 0.498 392 S N 0.466 116.090 115.700 -0.126 0.000 2.603 392 S HA 0.047 4.518 4.470 0.001 0.000 0.268 392 S C -0.278 174.286 174.600 -0.061 0.000 1.317 392 S CA -0.381 57.779 58.200 -0.067 0.000 1.012 392 S CB 0.859 64.023 63.200 -0.060 0.000 0.926 392 S HN 0.149 nan 8.310 nan 0.000 0.539 393 D N 1.709 122.094 120.400 -0.025 0.000 2.365 393 D HA 0.242 4.883 4.640 0.001 0.000 0.237 393 D C -1.010 175.285 176.300 -0.008 0.000 1.190 393 D CA -0.131 53.864 54.000 -0.008 0.000 0.867 393 D CB -0.125 40.681 40.800 0.009 0.000 1.050 393 D HN 0.295 nan 8.370 nan 0.000 0.491 394 L N 5.972 127.192 121.223 -0.006 0.000 2.313 394 L HA 0.376 4.717 4.340 0.001 0.000 0.273 394 L C -2.106 174.878 176.870 0.191 0.000 1.028 394 L CA -2.050 52.801 54.840 0.019 0.000 0.871 394 L CB 1.461 43.383 42.059 -0.229 0.000 1.242 394 L HN 0.176 nan 8.230 nan 0.000 0.434 395 P HA 0.040 nan 4.420 nan 0.000 0.261 395 P C 0.963 178.320 177.300 0.095 0.000 1.183 395 P CA 0.826 63.987 63.100 0.101 0.000 0.761 395 P CB 0.865 32.599 31.700 0.056 0.000 0.785 396 G N 1.874 110.693 108.800 0.033 0.000 2.232 396 G HA2 -0.225 3.736 3.960 0.001 0.000 0.226 396 G HA3 -0.225 3.736 3.960 0.001 0.000 0.226 396 G C -0.091 174.662 174.900 -0.245 0.000 0.996 396 G CA -0.616 44.408 45.100 -0.127 0.000 0.626 396 G HN 0.399 nan 8.290 nan 0.000 0.509 397 F N 2.514 122.444 119.950 -0.034 0.000 2.385 397 F HA 0.549 5.077 4.527 0.001 0.000 0.336 397 F C 0.873 176.686 175.800 0.022 0.000 1.100 397 F CA -0.436 57.558 58.000 -0.009 0.000 1.116 397 F CB 1.033 40.010 39.000 -0.037 0.000 1.166 397 F HN 0.342 nan 8.300 nan 0.000 0.511 398 N N 1.137 119.953 118.700 0.195 0.000 2.413 398 N HA 0.143 4.884 4.740 0.001 0.000 0.266 398 N C 0.354 175.970 175.510 0.176 0.000 1.238 398 N CA -0.540 52.599 53.050 0.149 0.000 0.972 398 N CB 0.388 38.935 38.487 0.101 0.000 1.210 398 N HN 0.654 nan 8.380 nan 0.000 0.547 399 Q N -0.420 119.455 119.800 0.124 0.000 2.096 399 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 399 Q C 1.160 177.258 176.000 0.164 0.000 0.982 399 Q CA 1.517 57.386 55.803 0.111 0.000 0.850 399 Q CB -0.148 28.630 28.738 0.068 0.000 0.901 399 Q HN 0.693 nan 8.270 nan 0.000 0.422 400 E N 0.681 121.000 120.200 0.198 0.000 2.072 400 E HA -0.185 4.166 4.350 0.001 0.000 0.191 400 E C 2.088 178.970 176.600 0.470 0.000 0.985 400 E CA 0.781 57.383 56.400 0.335 0.000 0.801 400 E CB 0.007 29.849 29.700 0.236 0.000 0.750 400 E HN 0.413 nan 8.360 nan 0.000 0.452 401 Q N 0.711 120.767 119.800 0.427 0.000 2.061 401 Q HA -0.244 4.097 4.340 0.001 0.000 0.204 401 Q C 2.278 178.471 176.000 0.321 0.000 0.984 401 Q CA 1.691 57.767 55.803 0.455 0.000 0.846 401 Q CB -0.150 28.884 28.738 0.493 0.000 0.902 401 Q HN 0.259 nan 8.270 nan 0.000 0.421 402 Q N 0.319 120.269 119.800 0.250 0.000 2.050 402 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 402 Q C 0.777 176.798 176.000 0.037 0.000 0.980 402 Q CA 0.507 56.316 55.803 0.009 0.000 0.840 402 Q CB -0.071 28.642 28.738 -0.041 0.000 0.898 402 Q HN 0.183 nan 8.270 nan 0.000 0.424 407 T N 1.417 116.027 114.554 0.093 0.000 2.777 407 T HA -0.027 4.324 4.350 0.001 0.000 0.266 407 T C 1.871 176.702 174.700 0.219 0.000 1.040 407 T CA 1.647 63.857 62.100 0.184 0.000 1.141 407 T CB -0.411 68.652 68.868 0.324 0.000 0.868 407 T HN 0.346 nan 8.240 nan 0.000 0.444 408 L N 0.730 122.043 121.223 0.151 0.000 2.012 408 L HA -0.107 4.234 4.340 0.001 0.000 0.210 408 L C 2.666 179.644 176.870 0.180 0.000 1.073 408 L CA 1.045 55.983 54.840 0.163 0.000 0.748 408 L CB -0.819 41.286 42.059 0.077 0.000 0.891 408 L HN 0.145 nan 8.230 nan 0.000 0.431 409 V N -0.156 119.842 119.914 0.141 0.000 2.358 409 V HA -0.260 3.861 4.120 0.001 0.000 0.246 409 V C 2.668 178.900 176.094 0.229 0.000 1.047 409 V CA 1.824 64.259 62.300 0.225 0.000 1.035 409 V CB -0.614 31.293 31.823 0.139 0.000 0.658 409 V HN 0.421 nan 8.190 nan 0.000 0.452 410 R N 0.164 120.658 120.500 -0.009 0.000 2.105 410 R HA -0.179 4.162 4.340 0.001 0.000 0.239 410 R C 1.508 177.579 176.300 -0.381 0.000 1.135 410 R CA 1.909 57.837 56.100 -0.286 0.000 0.967 410 R CB -0.507 29.464 30.300 -0.548 0.000 0.861 410 R HN 0.574 nan 8.270 nan 0.000 0.442 411 Y N 0.706 121.084 120.300 0.130 0.000 2.625 411 Y HA 0.152 4.702 4.550 0.001 0.000 0.285 411 Y C 1.307 177.233 175.900 0.043 0.000 1.168 411 Y CA -0.021 58.116 58.100 0.062 0.000 1.250 411 Y CB -0.321 38.184 38.460 0.075 0.000 1.130 411 Y HN 0.347 nan 8.280 nan 0.000 0.526 412 H N -0.854 118.268 119.070 0.086 0.000 2.555 412 H HA 0.281 4.838 4.556 0.002 0.000 0.269 412 H C 0.096 175.404 175.328 -0.033 0.000 0.988 412 H CA 0.441 56.515 56.048 0.044 0.000 1.178 412 H CB 0.469 30.250 29.762 0.032 0.000 1.373 412 H HN 0.198 nan 8.280 nan 0.000 0.588 413 R N 0.571 120.767 120.500 -0.505 0.000 2.799 413 R HA 0.267 4.608 4.340 0.001 0.000 0.270 413 R C -0.268 175.640 176.300 -0.653 0.000 1.010 413 R CA -0.901 54.866 56.100 -0.556 0.000 0.916 413 R CB 1.947 31.821 30.300 -0.711 0.000 1.228 413 R HN 0.064 nan 8.270 nan 0.000 0.469 414 K N -0.613 119.433 120.400 -0.589 0.000 1.009 414 K HA -0.203 4.118 4.320 0.001 0.000 0.792 414 K C -0.678 175.414 176.600 -0.847 0.000 2.000 414 K CA 1.020 56.923 56.287 -0.639 0.000 1.316 414 K CB -1.191 31.089 32.500 -0.367 0.000 2.454 414 K HN 0.828 nan 8.250 nan 0.000 0.347 415 A N 0.551 123.069 122.820 -0.503 0.000 2.540 415 A HA 0.345 4.666 4.320 0.001 0.000 0.239 415 A C 0.299 177.799 177.584 -0.140 0.000 1.061 415 A CA 0.396 52.275 52.037 -0.264 0.000 0.758 415 A CB -0.214 18.795 19.000 0.014 0.000 0.991 415 A HN 0.532 nan 8.150 nan 0.000 0.502 416 I N 1.459 121.938 120.570 -0.152 0.000 2.355 416 I HA 0.396 4.567 4.170 0.001 0.000 0.288 416 I C -0.292 175.660 176.117 -0.275 0.000 0.999 416 I CA -0.269 60.902 61.300 -0.215 0.000 1.163 416 I CB 1.126 38.951 38.000 -0.292 0.000 1.316 416 I HN 0.532 nan 8.210 nan 0.000 0.454 417 K N 6.780 127.024 120.400 -0.261 0.000 2.347 417 K HA 0.238 4.559 4.320 0.001 0.000 0.262 417 K C 0.583 176.992 176.600 -0.319 0.000 1.052 417 K CA -0.697 55.451 56.287 -0.231 0.000 0.946 417 K CB 1.332 33.767 32.500 -0.109 0.000 1.220 417 K HN 0.595 nan 8.250 nan 0.000 0.450 418 L N 2.365 123.375 121.223 -0.356 0.000 2.197 418 L HA -0.236 4.104 4.340 0.001 0.000 0.215 418 L C 1.526 178.288 176.870 -0.181 0.000 1.095 418 L CA 1.793 56.444 54.840 -0.316 0.000 0.764 418 L CB -0.508 41.354 42.059 -0.328 0.000 0.897 418 L HN 0.633 nan 8.230 nan 0.000 0.436 419 D N -0.927 119.387 120.400 -0.143 0.000 2.219 419 D HA -0.153 4.487 4.640 0.001 0.000 0.205 419 D C 1.386 177.658 176.300 -0.047 0.000 0.970 419 D CA 0.866 54.819 54.000 -0.078 0.000 0.851 419 D CB 0.113 40.874 40.800 -0.064 0.000 0.943 419 D HN 0.316 nan 8.370 nan 0.000 0.488 420 D N -0.484 119.883 120.400 -0.055 0.000 2.340 420 D HA 0.039 4.680 4.640 0.001 0.000 0.220 420 D C 0.359 176.686 176.300 0.046 0.000 1.039 420 D CA 0.002 54.008 54.000 0.010 0.000 0.866 420 D CB 0.144 40.980 40.800 0.061 0.000 0.913 420 D HN 0.283 nan 8.370 nan 0.000 0.523 421 L N 2.096 123.319 121.223 0.000 0.000 2.485 421 L HA 0.115 4.456 4.340 0.001 0.000 0.275 421 L C -1.791 175.116 176.870 0.062 0.000 1.207 421 L CA -1.370 53.528 54.840 0.095 0.000 0.855 421 L CB -0.208 41.947 42.059 0.160 0.000 1.114 421 L HN -0.218 nan 8.230 nan 0.000 0.485 422 P HA 0.096 nan 4.420 nan 0.000 0.269 422 P C -0.955 176.161 177.300 -0.307 0.000 1.215 422 P CA -0.342 62.612 63.100 -0.243 0.000 0.780 422 P CB 0.413 31.804 31.700 -0.516 0.000 0.898 423 R N 2.048 122.397 120.500 -0.253 0.000 2.340 423 R HA 0.419 4.760 4.340 0.001 0.000 0.300 423 R C -0.208 175.916 176.300 -0.294 0.000 1.069 423 R CA -0.132 55.889 56.100 -0.132 0.000 0.984 423 R CB -0.417 29.864 30.300 -0.032 0.000 1.003 423 R HN 0.419 nan 8.270 nan 0.000 0.459 424 F N -0.340 119.668 119.950 0.096 0.000 2.483 424 F HA 0.266 4.794 4.527 0.002 0.000 0.329 424 F C 1.821 177.647 175.800 0.043 0.000 1.064 424 F CA -0.455 57.585 58.000 0.067 0.000 0.986 424 F CB 1.688 40.753 39.000 0.109 0.000 1.218 424 F HN 0.545 nan 8.300 nan 0.000 0.484 425 T N -2.035 112.617 114.554 0.164 0.000 2.978 425 T HA 0.083 4.434 4.350 0.001 0.000 0.248 425 T C 1.446 176.117 174.700 -0.047 0.000 1.018 425 T CA 0.292 62.423 62.100 0.052 0.000 1.026 425 T CB -0.151 68.722 68.868 0.007 0.000 1.032 425 T HN 0.355 nan 8.240 nan 0.000 0.485 426 L N 0.174 121.273 121.223 -0.207 0.000 2.313 426 L HA 0.451 4.792 4.340 0.001 0.000 0.214 426 L C -0.517 175.941 176.870 -0.686 0.000 1.119 426 L CA 0.925 55.413 54.840 -0.587 0.000 0.809 426 L CB -0.268 41.160 42.059 -1.053 0.000 0.933 426 L HN 0.275 nan 8.230 nan 0.000 0.449 427 F N -1.245 118.750 119.950 0.075 0.000 2.547 427 F HA 0.453 4.981 4.527 0.001 0.000 0.316 427 F C 0.200 176.142 175.800 0.236 0.000 1.121 427 F CA -1.460 56.576 58.000 0.061 0.000 0.911 427 F CB 1.066 39.965 39.000 -0.169 0.000 1.179 427 F HN -0.356 nan 8.300 nan 0.000 0.443 428 K N 1.932 122.583 120.400 0.418 0.000 2.118 428 K HA 0.331 4.652 4.320 0.001 0.000 0.267 428 K C 0.856 177.672 176.600 0.360 0.000 0.991 428 K CA -0.780 55.713 56.287 0.344 0.000 0.916 428 K CB 1.641 34.266 32.500 0.208 0.000 1.041 428 K HN 0.568 nan 8.250 nan 0.000 0.455 429 K N 1.844 122.358 120.400 0.190 0.000 2.074 429 K HA -0.238 4.083 4.320 0.001 0.000 0.209 429 K C 1.515 177.930 176.600 -0.309 0.000 1.048 429 K CA 1.898 58.003 56.287 -0.303 0.000 0.926 429 K CB 0.038 32.443 32.500 -0.159 0.000 0.713 429 K HN 0.487 nan 8.250 nan 0.000 0.444 430 K N 0.303 120.679 120.400 -0.040 0.000 2.360 430 K HA -0.187 4.134 4.320 0.001 0.000 0.201 430 K C 1.593 178.271 176.600 0.129 0.000 1.046 430 K CA 1.383 57.694 56.287 0.040 0.000 0.945 430 K CB -0.025 32.529 32.500 0.089 0.000 0.750 430 K HN 0.228 nan 8.250 nan 0.000 0.464 431 Q N 0.047 119.950 119.800 0.171 0.000 2.339 431 Q HA 0.030 4.371 4.340 0.001 0.000 0.205 431 Q C 1.366 177.523 176.000 0.261 0.000 0.925 431 Q CA 0.874 56.867 55.803 0.317 0.000 0.898 431 Q CB 0.119 29.100 28.738 0.405 0.000 1.013 431 Q HN 0.630 nan 8.270 nan 0.000 0.504 432 F N -2.894 117.101 119.950 0.074 0.000 2.752 432 F HA 0.325 4.852 4.527 0.001 0.000 0.310 432 F C 1.269 177.043 175.800 -0.043 0.000 1.097 432 F CA -0.267 57.706 58.000 -0.045 0.000 1.238 432 F CB -0.201 38.704 39.000 -0.158 0.000 1.061 432 F HN -0.172 nan 8.300 nan 0.000 0.591 433 L N 1.904 122.845 121.223 -0.471 0.000 2.046 433 L HA -0.055 4.286 4.340 0.001 0.000 0.208 433 L C -0.313 176.423 176.870 -0.224 0.000 1.077 433 L CA 1.390 56.073 54.840 -0.263 0.000 0.747 433 L CB -1.897 40.059 42.059 -0.171 0.000 0.896 433 L HN 0.110 nan 8.230 nan 0.000 0.432 434 P HA -0.132 nan 4.420 nan 0.000 0.230 434 P C 1.730 178.781 177.300 -0.414 0.000 1.158 434 P CA 1.145 63.965 63.100 -0.468 0.000 0.769 434 P CB 0.036 31.517 31.700 -0.364 0.000 0.807 435 L N -1.133 119.924 121.223 -0.278 0.000 2.156 435 L HA -0.075 4.266 4.340 0.001 0.000 0.208 435 L C 2.642 179.481 176.870 -0.051 0.000 1.095 435 L CA 1.046 55.804 54.840 -0.138 0.000 0.770 435 L CB -0.775 41.254 42.059 -0.050 0.000 0.914 435 L HN -0.116 nan 8.230 nan 0.000 0.439 436 I N -0.357 120.203 120.570 -0.016 0.000 2.202 436 I HA -0.294 3.877 4.170 0.001 0.000 0.242 436 I C 2.632 178.719 176.117 -0.049 0.000 1.091 436 I CA 1.332 62.668 61.300 0.061 0.000 1.368 436 I CB -0.275 37.846 38.000 0.203 0.000 1.058 436 I HN 0.327 nan 8.210 nan 0.000 0.410 437 Q N 0.582 120.164 119.800 -0.363 0.000 2.050 437 Q HA -0.196 4.145 4.340 0.001 0.000 0.202 437 Q C 2.393 178.370 176.000 -0.038 0.000 0.980 437 Q CA 1.497 56.989 55.803 -0.518 0.000 0.840 437 Q CB -0.168 27.689 28.738 -1.468 0.000 0.898 437 Q HN 0.495 nan 8.270 nan 0.000 0.424 438 L N -0.061 121.182 121.223 0.032 0.000 2.046 438 L HA -0.214 4.127 4.340 0.001 0.000 0.208 438 L C 2.327 179.258 176.870 0.101 0.000 1.077 438 L CA 0.606 55.543 54.840 0.161 0.000 0.747 438 L CB -0.387 41.741 42.059 0.116 0.000 0.896 438 L HN 0.253 nan 8.230 nan 0.000 0.432 439 L N -0.229 121.025 121.223 0.053 0.000 2.056 439 L HA -0.155 4.186 4.340 0.001 0.000 0.207 439 L C 2.727 179.640 176.870 0.073 0.000 1.078 439 L CA 1.590 56.447 54.840 0.029 0.000 0.749 439 L CB -0.462 41.606 42.059 0.015 0.000 0.901 439 L HN 0.074 nan 8.230 nan 0.000 0.433 440 R N -0.779 119.805 120.500 0.139 0.000 2.096 440 R HA -0.178 4.163 4.340 0.001 0.000 0.240 440 R C 2.232 178.641 176.300 0.181 0.000 1.139 440 R CA 1.956 58.170 56.100 0.191 0.000 0.952 440 R CB -0.666 29.792 30.300 0.263 0.000 0.854 440 R HN 0.375 nan 8.270 nan 0.000 0.436 441 L N -0.673 120.666 121.223 0.193 0.000 2.056 441 L HA -0.064 4.276 4.340 0.001 0.000 0.207 441 L C 2.626 179.580 176.870 0.140 0.000 1.078 441 L CA 1.369 56.318 54.840 0.182 0.000 0.749 441 L CB -0.789 41.401 42.059 0.218 0.000 0.901 441 L HN 0.367 nan 8.230 nan 0.000 0.433 442 G N -0.343 108.516 108.800 0.099 0.000 2.422 442 G HA2 -0.175 3.786 3.960 0.001 0.000 0.218 442 G HA3 -0.175 3.786 3.960 0.001 0.000 0.218 442 G C 1.595 176.518 174.900 0.039 0.000 1.146 442 G CA 0.876 46.010 45.100 0.056 0.000 0.769 442 G HN 0.172 nan 8.290 nan 0.000 0.547 443 V N 1.120 121.039 119.914 0.010 0.000 2.307 443 V HA -0.118 4.002 4.120 0.001 0.000 0.245 443 V C 2.670 178.835 176.094 0.118 0.000 1.045 443 V CA 1.681 63.991 62.300 0.018 0.000 1.024 443 V CB -0.496 31.338 31.823 0.018 0.000 0.651 443 V HN 0.449 nan 8.190 nan 0.000 0.449 444 L N -0.513 120.794 121.223 0.139 0.000 2.083 444 L HA -0.155 4.186 4.340 0.001 0.000 0.209 444 L C 2.224 179.191 176.870 0.163 0.000 1.083 444 L CA 1.707 56.639 54.840 0.154 0.000 0.752 444 L CB -0.215 41.937 42.059 0.155 0.000 0.899 444 L HN 0.252 nan 8.230 nan 0.000 0.433 445 L N 0.225 121.551 121.223 0.172 0.000 2.456 445 L HA -0.098 4.242 4.340 0.001 0.000 0.224 445 L C 1.234 178.214 176.870 0.183 0.000 1.148 445 L CA 0.507 55.470 54.840 0.205 0.000 0.825 445 L CB -0.383 41.803 42.059 0.211 0.000 0.937 445 L HN 0.406 nan 8.230 nan 0.000 0.450 446 N N -0.737 118.054 118.700 0.153 0.000 2.275 446 N HA 0.042 4.783 4.740 0.001 0.000 0.236 446 N C 0.687 176.285 175.510 0.147 0.000 1.154 446 N CA -0.042 53.094 53.050 0.143 0.000 0.866 446 N CB 0.313 38.876 38.487 0.127 0.000 1.093 446 N HN 0.203 nan 8.380 nan 0.000 0.515 447 N N 1.484 120.274 118.700 0.149 0.000 2.137 447 N HA -0.154 4.587 4.740 0.001 0.000 0.190 447 N C 1.178 176.766 175.510 0.129 0.000 1.017 447 N CA 1.237 54.375 53.050 0.147 0.000 0.859 447 N CB 0.027 38.595 38.487 0.135 0.000 1.002 447 N HN 0.463 nan 8.380 nan 0.000 0.428 448 Q N 0.242 120.110 119.800 0.112 0.000 2.444 448 Q HA 0.136 4.477 4.340 0.001 0.000 0.206 448 Q C 0.186 176.237 176.000 0.086 0.000 0.948 448 Q CA -0.154 55.702 55.803 0.088 0.000 0.946 448 Q CB 0.357 29.138 28.738 0.072 0.000 1.027 448 Q HN 0.246 nan 8.270 nan 0.000 0.513 449 R N -0.156 120.405 120.500 0.102 0.000 3.982 449 R HA -0.282 4.058 4.340 0.001 0.000 0.360 449 R C 1.296 177.645 176.300 0.080 0.000 0.241 449 R CA 1.731 57.889 56.100 0.096 0.000 1.177 449 R CB -1.618 28.734 30.300 0.088 0.000 1.024 449 R HN 0.327 nan 8.270 nan 0.000 0.550 450 Q N 1.482 121.321 119.800 0.065 0.000 2.437 450 Q HA 0.039 4.380 4.340 0.001 0.000 0.210 450 Q C 1.492 177.524 176.000 0.052 0.000 0.972 450 Q CA 1.848 57.685 55.803 0.057 0.000 0.903 450 Q CB 0.130 28.896 28.738 0.047 0.000 0.967 450 Q HN 0.595 nan 8.270 nan 0.000 0.486 451 A N 1.116 123.967 122.820 0.051 0.000 2.278 451 A HA 0.129 4.450 4.320 0.001 0.000 0.212 451 A C 0.536 178.153 177.584 0.055 0.000 1.213 451 A CA -0.116 51.947 52.037 0.044 0.000 0.840 451 A CB -0.215 18.805 19.000 0.033 0.000 0.866 451 A HN 0.250 nan 8.150 nan 0.000 0.489 452 T N 2.017 116.616 114.554 0.075 0.000 2.902 452 T HA 0.221 4.572 4.350 0.001 0.000 0.301 452 T C 0.236 175.003 174.700 0.112 0.000 1.012 452 T CA 0.754 62.915 62.100 0.102 0.000 1.151 452 T CB 0.391 69.331 68.868 0.119 0.000 0.946 452 T HN 0.275 nan 8.240 nan 0.000 0.542 453 T N 4.378 119.016 114.554 0.141 0.000 2.738 453 T HA 0.272 4.623 4.350 0.001 0.000 0.298 453 T C 0.491 175.395 174.700 0.339 0.000 0.962 453 T CA -0.603 61.613 62.100 0.193 0.000 0.972 453 T CB 0.426 69.370 68.868 0.126 0.000 0.928 453 T HN 0.528 nan 8.240 nan 0.000 0.474 454 T N 7.017 121.715 114.554 0.239 0.000 2.814 454 T HA 0.266 4.617 4.350 0.001 0.000 0.297 454 T C -2.070 172.735 174.700 0.176 0.000 0.956 454 T CA -1.138 61.073 62.100 0.186 0.000 1.123 454 T CB 0.369 69.293 68.868 0.093 0.000 0.902 454 T HN 0.352 nan 8.240 nan 0.000 0.528 455 P HA 0.149 nan 4.420 nan 0.000 0.267 455 P C -1.768 175.406 177.300 -0.209 0.000 1.209 455 P CA -1.444 61.419 63.100 -0.395 0.000 0.763 455 P CB 0.447 31.559 31.700 -0.979 0.000 0.816 456 P HA -0.116 nan 4.420 nan 0.000 0.217 456 P C 0.492 177.724 177.300 -0.113 0.000 1.148 456 P CA 1.668 64.729 63.100 -0.064 0.000 0.828 456 P CB -0.020 31.675 31.700 -0.008 0.000 0.783 457 T N -2.788 111.655 114.554 -0.185 0.000 2.909 457 T HA 0.632 4.983 4.350 0.001 0.000 0.299 457 T C -1.314 173.193 174.700 -0.323 0.000 1.073 457 T CA -0.945 61.036 62.100 -0.199 0.000 0.999 457 T CB 1.998 70.779 68.868 -0.145 0.000 1.098 457 T HN -0.062 nan 8.240 nan 0.000 0.477 458 L N 1.550 122.583 121.223 -0.317 0.000 2.516 458 L HA 0.686 5.026 4.340 0.001 0.000 0.267 458 L C -0.957 175.713 176.870 -0.333 0.000 0.957 458 L CA -0.003 54.565 54.840 -0.454 0.000 0.860 458 L CB 2.262 44.023 42.059 -0.497 0.000 1.265 458 L HN 0.974 nan 8.230 nan 0.000 0.403 459 T N 5.542 119.895 114.554 -0.336 0.000 2.797 459 T HA 0.639 4.990 4.350 0.001 0.000 0.279 459 T C -1.128 173.443 174.700 -0.215 0.000 0.991 459 T CA -0.243 61.722 62.100 -0.225 0.000 0.979 459 T CB 1.368 70.139 68.868 -0.161 0.000 0.943 459 T HN 0.515 nan 8.240 nan 0.000 0.444 460 L N 4.699 125.807 121.223 -0.191 0.000 2.313 460 L HA 0.719 5.060 4.340 0.001 0.000 0.283 460 L C -1.507 175.244 176.870 -0.198 0.000 1.013 460 L CA -0.535 54.188 54.840 -0.196 0.000 0.816 460 L CB 0.790 42.701 42.059 -0.247 0.000 1.236 460 L HN 0.561 nan 8.230 nan 0.000 0.419 461 I N 4.189 124.668 120.570 -0.153 0.000 2.382 461 I HA 0.467 4.637 4.170 0.001 0.000 0.286 461 I C -0.103 175.934 176.117 -0.134 0.000 1.002 461 I CA -0.138 61.086 61.300 -0.128 0.000 1.135 461 I CB 2.005 39.975 38.000 -0.051 0.000 1.288 461 I HN 0.702 nan 8.210 nan 0.000 0.448 462 T N 0.628 115.058 114.554 -0.208 0.000 2.823 462 T HA 0.609 4.960 4.350 0.001 0.000 0.279 462 T C -0.782 173.927 174.700 0.016 0.000 0.998 462 T CA -0.743 61.250 62.100 -0.180 0.000 0.994 462 T CB 1.723 70.318 68.868 -0.456 0.000 0.960 462 T HN 0.487 nan 8.240 nan 0.000 0.448 463 D N 2.644 123.149 120.400 0.175 0.000 2.420 463 D HA 0.348 4.989 4.640 0.001 0.000 0.255 463 D C 0.049 176.442 176.300 0.155 0.000 1.185 463 D CA 0.052 54.124 54.000 0.121 0.000 0.904 463 D CB 0.477 41.329 40.800 0.088 0.000 1.102 463 D HN 0.643 nan 8.370 nan 0.000 0.534 464 D N 1.575 122.061 120.400 0.143 0.000 4.134 464 D HA -0.250 4.390 4.640 0.001 0.000 0.141 464 D C 0.449 176.967 176.300 0.363 0.000 0.779 464 D CA 1.440 55.549 54.000 0.181 0.000 1.126 464 D CB -1.123 39.718 40.800 0.069 0.000 0.523 464 D HN 0.375 nan 8.370 nan 0.000 0.513 465 S N -0.457 115.404 115.700 0.268 0.000 2.578 465 S HA 0.089 4.560 4.470 0.001 0.000 0.231 465 S C -0.212 174.548 174.600 0.267 0.000 0.994 465 S CA -0.258 58.002 58.200 0.099 0.000 0.956 465 S CB 0.119 63.251 63.200 -0.114 0.000 0.870 465 S HN 0.271 nan 8.310 nan 0.000 0.494 466 H N 1.002 120.251 119.070 0.299 0.000 3.004 466 H HA 0.272 4.828 4.556 0.001 0.000 0.267 466 H C -0.957 174.693 175.328 0.536 0.000 1.165 466 H CA -0.869 55.381 56.048 0.337 0.000 1.450 466 H CB -0.296 29.604 29.762 0.231 0.000 1.488 466 H HN 0.243 nan 8.280 nan 0.000 0.478 467 W N 1.557 123.022 121.300 0.275 0.000 2.606 467 W HA 0.422 5.084 4.660 0.002 0.000 0.332 467 W C 0.258 176.835 176.519 0.096 0.000 1.052 467 W CA -1.016 56.441 57.345 0.188 0.000 1.223 467 W CB 1.347 30.954 29.460 0.244 0.000 1.383 467 W HN 0.386 nan 8.180 nan 0.000 0.524 468 T N 1.741 116.443 114.554 0.247 0.000 2.863 468 T HA 0.791 5.142 4.350 0.001 0.000 0.285 468 T C -1.240 173.515 174.700 0.091 0.000 1.009 468 T CA -0.683 61.504 62.100 0.145 0.000 0.989 468 T CB 0.939 69.871 68.868 0.106 0.000 1.004 468 T HN 0.326 nan 8.240 nan 0.000 0.455 469 L N 3.305 124.591 121.223 0.104 0.000 2.313 469 L HA 0.604 4.945 4.340 0.001 0.000 0.283 469 L C 0.226 177.128 176.870 0.054 0.000 1.013 469 L CA -0.905 53.949 54.840 0.024 0.000 0.816 469 L CB 1.765 43.882 42.059 0.097 0.000 1.236 469 L HN 0.672 nan 8.230 nan 0.000 0.419 470 R N 3.363 123.785 120.500 -0.130 0.000 2.310 470 R HA 0.532 4.873 4.340 0.001 0.000 0.324 470 R C -1.293 174.873 176.300 -0.224 0.000 0.955 470 R CA -0.395 55.687 56.100 -0.030 0.000 0.830 470 R CB 0.918 31.209 30.300 -0.016 0.000 1.154 470 R HN 0.321 nan 8.270 nan 0.000 0.458 471 F N 4.624 124.534 119.950 -0.067 0.000 2.457 471 F HA 0.499 5.026 4.527 0.001 0.000 0.330 471 F C -1.580 174.116 175.800 -0.173 0.000 1.069 471 F CA -2.485 55.355 58.000 -0.267 0.000 1.009 471 F CB 0.997 39.724 39.000 -0.455 0.000 1.276 471 F HN 0.426 nan 8.300 nan 0.000 0.492 472 P HA -0.041 nan 4.420 nan 0.000 0.269 472 P C -0.948 176.452 177.300 0.166 0.000 1.217 472 P CA 0.061 63.187 63.100 0.043 0.000 0.783 472 P CB 0.226 31.937 31.700 0.019 0.000 0.898 473 H N 2.071 121.197 119.070 0.095 0.000 3.064 473 H HA -0.059 4.497 4.556 0.001 0.000 0.329 473 H C 0.502 175.909 175.328 0.132 0.000 1.020 473 H CA 1.588 57.700 56.048 0.107 0.000 1.402 473 H CB -0.457 29.348 29.762 0.072 0.000 1.379 473 H HN 0.424 nan 8.280 nan 0.000 0.594 474 D N 1.952 122.083 120.400 -0.449 0.000 3.039 474 D HA -0.273 4.368 4.640 0.001 0.000 0.222 474 D C 0.842 177.122 176.300 -0.033 0.000 1.179 474 D CA 1.095 54.948 54.000 -0.245 0.000 0.880 474 D CB -1.570 39.114 40.800 -0.194 0.000 1.115 474 D HN 0.743 nan 8.370 nan 0.000 0.416 475 W N 0.021 121.215 121.300 -0.177 0.000 2.335 475 W HA -0.102 4.559 4.660 0.001 0.000 0.311 475 W C 1.948 178.300 176.519 -0.279 0.000 1.213 475 W CA 1.313 58.507 57.345 -0.252 0.000 1.274 475 W CB -0.608 28.629 29.460 -0.372 0.000 1.148 475 W HN 0.096 nan 8.180 nan 0.000 0.498 476 F N 0.831 120.764 119.950 -0.030 0.000 2.604 476 F HA -0.106 4.422 4.527 0.002 0.000 0.298 476 F C 2.743 178.408 175.800 -0.226 0.000 1.131 476 F CA 1.353 59.236 58.000 -0.195 0.000 1.457 476 F CB -1.120 37.819 39.000 -0.102 0.000 1.095 476 F HN -0.081 nan 8.300 nan 0.000 0.574 477 S N -0.871 114.806 115.700 -0.038 0.000 2.402 477 S HA -0.196 4.275 4.470 0.001 0.000 0.229 477 S C 1.773 176.298 174.600 -0.126 0.000 1.021 477 S CA 0.921 59.081 58.200 -0.065 0.000 0.974 477 S CB -0.272 62.893 63.200 -0.058 0.000 0.800 477 S HN 0.323 nan 8.310 nan 0.000 0.484 478 Q N 1.451 121.115 119.800 -0.227 0.000 2.282 478 Q HA 0.351 4.692 4.340 0.001 0.000 0.206 478 Q C -0.525 175.249 176.000 -0.376 0.000 0.878 478 Q CA 0.125 55.769 55.803 -0.264 0.000 0.944 478 Q CB 0.261 28.844 28.738 -0.258 0.000 1.100 478 Q HN 0.566 nan 8.270 nan 0.000 0.509 479 N N -0.561 117.865 118.700 -0.456 0.000 2.672 479 N HA 0.215 4.956 4.740 0.001 0.000 0.295 479 N C -0.329 175.079 175.510 -0.170 0.000 1.924 479 N CA 0.338 53.102 53.050 -0.477 0.000 0.851 479 N CB 1.419 39.216 38.487 -1.149 0.000 1.281 479 N HN 0.087 nan 8.380 nan 0.000 0.494 480 A N 0.196 122.951 122.820 -0.109 0.000 2.015 480 A HA -0.011 4.310 4.320 0.001 0.000 0.219 480 A C 2.016 179.572 177.584 -0.047 0.000 1.163 480 A CA 0.916 52.920 52.037 -0.056 0.000 0.646 480 A CB -0.098 18.863 19.000 -0.064 0.000 0.806 480 A HN 0.362 nan 8.150 nan 0.000 0.448 481 L N -0.872 120.328 121.223 -0.039 0.000 2.162 481 L HA -0.067 4.273 4.340 0.001 0.000 0.205 481 L C 2.411 179.289 176.870 0.013 0.000 1.086 481 L CA 0.538 55.367 54.840 -0.017 0.000 0.778 481 L CB -0.575 41.480 42.059 -0.007 0.000 0.928 481 L HN 0.199 nan 8.230 nan 0.000 0.446 482 V N 0.453 120.397 119.914 0.050 0.000 2.324 482 V HA -0.325 3.796 4.120 0.001 0.000 0.250 482 V C 2.491 178.646 176.094 0.101 0.000 1.060 482 V CA 1.894 64.281 62.300 0.145 0.000 1.042 482 V CB -0.555 31.435 31.823 0.277 0.000 0.650 482 V HN 0.329 nan 8.190 nan 0.000 0.450 483 L N -0.320 120.905 121.223 0.004 0.000 2.046 483 L HA -0.142 4.199 4.340 0.001 0.000 0.208 483 L C 2.201 178.927 176.870 -0.240 0.000 1.077 483 L CA 1.849 56.466 54.840 -0.371 0.000 0.747 483 L CB -0.564 41.125 42.059 -0.616 0.000 0.896 483 L HN 0.223 nan 8.230 nan 0.000 0.432 484 L N -0.765 120.376 121.223 -0.137 0.000 2.083 484 L HA -0.197 4.144 4.340 0.001 0.000 0.209 484 L C 2.211 179.039 176.870 -0.070 0.000 1.083 484 L CA 1.129 55.908 54.840 -0.102 0.000 0.752 484 L CB -0.854 41.165 42.059 -0.068 0.000 0.899 484 L HN 0.288 nan 8.230 nan 0.000 0.433 485 D N 0.230 120.613 120.400 -0.028 0.000 2.117 485 D HA -0.140 4.500 4.640 0.001 0.000 0.197 485 D C 2.386 178.682 176.300 -0.007 0.000 0.987 485 D CA 1.210 55.217 54.000 0.013 0.000 0.829 485 D CB -0.119 40.720 40.800 0.065 0.000 0.961 485 D HN 0.277 nan 8.370 nan 0.000 0.460 486 L N 0.784 121.983 121.223 -0.041 0.000 2.093 486 L HA -0.119 4.222 4.340 0.001 0.000 0.208 486 L C 2.282 179.067 176.870 -0.142 0.000 1.085 486 L CA 1.032 55.826 54.840 -0.078 0.000 0.755 486 L CB -0.255 41.754 42.059 -0.083 0.000 0.904 486 L HN -0.025 nan 8.230 nan 0.000 0.435 487 E N -0.089 120.016 120.200 -0.157 0.000 2.150 487 E HA -0.248 4.103 4.350 0.001 0.000 0.193 487 E C 2.079 178.589 176.600 -0.150 0.000 0.985 487 E CA 0.875 57.179 56.400 -0.159 0.000 0.814 487 E CB 0.048 29.652 29.700 -0.159 0.000 0.752 487 E HN 0.319 nan 8.360 nan 0.000 0.466 488 K N 1.028 121.347 120.400 -0.136 0.000 2.057 488 K HA -0.218 4.103 4.320 0.001 0.000 0.206 488 K C 2.110 178.595 176.600 -0.192 0.000 1.050 488 K CA 1.403 57.576 56.287 -0.191 0.000 0.935 488 K CB 0.103 32.530 32.500 -0.121 0.000 0.715 488 K HN -0.111 nan 8.250 nan 0.000 0.439 489 E N 0.839 121.017 120.200 -0.038 0.000 2.110 489 E HA -0.197 4.154 4.350 0.001 0.000 0.193 489 E C 1.860 178.376 176.600 -0.141 0.000 0.988 489 E CA 1.513 57.947 56.400 0.057 0.000 0.804 489 E CB 0.023 29.720 29.700 -0.005 0.000 0.745 489 E HN 0.311 nan 8.360 nan 0.000 0.458 490 Q N 0.035 119.691 119.800 -0.239 0.000 2.112 490 Q HA -0.227 4.114 4.340 0.001 0.000 0.206 490 Q C 2.157 178.135 176.000 -0.035 0.000 0.987 490 Q CA 1.854 57.534 55.803 -0.204 0.000 0.858 490 Q CB -0.158 28.478 28.738 -0.170 0.000 0.905 490 Q HN 0.462 nan 8.270 nan 0.000 0.420 491 E N -0.392 119.761 120.200 -0.079 0.000 2.077 491 E HA -0.191 4.160 4.350 0.001 0.000 0.193 491 E C 1.799 178.426 176.600 0.043 0.000 0.989 491 E CA 0.937 57.294 56.400 -0.073 0.000 0.800 491 E CB -0.106 29.471 29.700 -0.206 0.000 0.746 491 E HN 0.388 nan 8.360 nan 0.000 0.452 492 Y N -0.463 119.925 120.300 0.147 0.000 2.224 492 Y HA -0.220 4.330 4.550 0.001 0.000 0.289 492 Y C 1.919 178.012 175.900 0.322 0.000 1.146 492 Y CA 0.801 59.028 58.100 0.213 0.000 1.182 492 Y CB -0.602 38.016 38.460 0.262 0.000 0.983 492 Y HN 0.200 nan 8.280 nan 0.000 0.524 493 W N 0.464 121.904 121.300 0.234 0.000 2.425 493 W HA -0.060 4.600 4.660 0.001 0.000 0.277 493 W C 1.985 178.573 176.519 0.116 0.000 1.231 493 W CA 0.674 58.160 57.345 0.235 0.000 1.248 493 W CB -0.601 29.000 29.460 0.237 0.000 1.117 493 W HN 0.059 nan 8.180 nan 0.000 0.568 494 E N -0.895 119.473 120.200 0.280 0.000 2.338 494 E HA -0.061 4.290 4.350 0.001 0.000 0.197 494 E C 2.095 178.743 176.600 0.080 0.000 1.007 494 E CA 1.210 57.694 56.400 0.141 0.000 0.849 494 E CB -0.540 29.209 29.700 0.082 0.000 0.774 494 E HN 0.327 nan 8.360 nan 0.000 0.506 495 G N 0.650 109.498 108.800 0.079 0.000 3.141 495 G HA2 0.165 4.126 3.960 0.001 0.000 0.218 495 G HA3 0.165 4.126 3.960 0.001 0.000 0.218 495 G C 0.287 175.126 174.900 -0.101 0.000 1.170 495 G CA -0.125 44.980 45.100 0.007 0.000 0.769 495 G HN -0.030 nan 8.290 nan 0.000 0.546 496 V N 1.290 121.109 119.914 -0.158 0.000 2.407 496 V HA 0.638 4.759 4.120 0.001 0.000 0.291 496 V C 0.482 176.402 176.094 -0.290 0.000 1.018 496 V CA -1.419 60.629 62.300 -0.420 0.000 0.842 496 V CB 1.096 32.322 31.823 -0.996 0.000 0.996 496 V HN 0.338 nan 8.190 nan 0.000 0.426 497 A N 3.776 126.456 122.820 -0.234 0.000 2.566 497 A HA 0.488 4.808 4.320 0.001 0.000 0.245 497 A C 1.602 179.167 177.584 -0.032 0.000 1.056 497 A CA 1.049 53.028 52.037 -0.096 0.000 0.757 497 A CB -0.475 18.475 19.000 -0.085 0.000 0.979 497 A HN 2.220 nan 8.150 nan 0.000 0.508 498 G N 1.331 110.208 108.800 0.129 0.000 2.299 498 G HA2 -0.237 3.724 3.960 0.001 0.000 0.237 498 G HA3 -0.237 3.724 3.960 0.001 0.000 0.237 498 G C -0.030 175.151 174.900 0.469 0.000 1.027 498 G CA 0.293 45.557 45.100 0.274 0.000 0.619 498 G HN 0.816 nan 8.290 nan 0.000 0.513 499 W N 1.720 123.016 121.300 -0.007 0.000 2.287 499 W HA 0.820 5.482 4.660 0.003 0.000 0.313 499 W C 0.844 177.417 176.519 0.091 0.000 1.267 499 W CA -0.791 56.507 57.345 -0.079 0.000 1.201 499 W CB 0.590 29.803 29.460 -0.412 0.000 1.196 499 W HN 0.294 nan 8.180 nan 0.000 0.536 500 R N 3.388 124.095 120.500 0.346 0.000 2.584 500 R HA 0.530 4.871 4.340 0.001 0.000 0.276 500 R C -1.965 174.516 176.300 0.302 0.000 1.046 500 R CA -0.804 55.401 56.100 0.174 0.000 0.906 500 R CB 1.766 31.826 30.300 -0.401 0.000 1.215 500 R HN 0.632 nan 8.270 nan 0.000 0.449 501 L N 4.008 125.286 121.223 0.092 0.000 2.341 501 L HA 0.567 4.907 4.340 0.001 0.000 0.278 501 L C -1.079 175.737 176.870 -0.090 0.000 1.005 501 L CA -0.702 54.031 54.840 -0.177 0.000 0.818 501 L CB 1.776 43.368 42.059 -0.778 0.000 1.259 501 L HN 0.643 nan 8.230 nan 0.000 0.418 502 K N 5.225 125.618 120.400 -0.012 0.000 2.324 502 K HA 0.611 4.932 4.320 0.001 0.000 0.253 502 K C -1.281 175.348 176.600 0.048 0.000 0.932 502 K CA -0.589 55.705 56.287 0.011 0.000 0.799 502 K CB 2.796 35.325 32.500 0.048 0.000 1.154 502 K HN 0.433 nan 8.250 nan 0.000 0.425 503 I N 2.047 122.643 120.570 0.043 0.000 2.404 503 I HA 0.317 4.488 4.170 0.001 0.000 0.293 503 I C -0.395 175.816 176.117 0.158 0.000 0.992 503 I CA -0.446 60.932 61.300 0.129 0.000 1.149 503 I CB 1.718 39.718 38.000 -0.001 0.000 1.315 503 I HN 0.507 nan 8.210 nan 0.000 0.446 504 E N 4.495 124.867 120.200 0.287 0.000 2.367 504 E HA 0.498 4.848 4.350 0.001 0.000 0.273 504 E C -1.397 175.420 176.600 0.361 0.000 0.903 504 E CA -0.918 55.632 56.400 0.250 0.000 0.764 504 E CB 2.615 32.411 29.700 0.161 0.000 1.252 504 E HN 0.497 nan 8.360 nan 0.000 0.446 505 E N 1.011 121.380 120.200 0.282 0.000 2.207 505 E HA 0.249 4.599 4.350 0.001 0.000 0.270 505 E C -0.782 175.940 176.600 0.204 0.000 0.927 505 E CA -0.572 55.986 56.400 0.263 0.000 0.799 505 E CB 2.062 31.900 29.700 0.230 0.000 1.172 505 E HN 0.329 nan 8.360 nan 0.000 0.404 506 E N 0.000 120.312 120.200 0.187 0.000 2.725 506 E HA 0.000 4.351 4.350 0.001 0.000 0.291 506 E CA 0.000 56.498 56.400 0.164 0.000 0.976 506 E CB 0.000 29.763 29.700 0.105 0.000 0.812 506 E HN 0.000 nan 8.360 nan 0.000 0.440