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 2w6j_1_B DATA FIRST_RESID 23 DATA SEQUENCE VDLEETGRVL SIGDGIARVH GLRNVQAEEM VEFSSGLKGM SLNLEPDNVG DATA SEQUENCE VVVFGNDKLI KEGDIVKRTG AIVDVPVGEE LLGRVVDALG NAIDGKGPIG DATA SEQUENCE SKARRRVGLK APGIIPRISV REPMQTGIKA VDSLVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTSIAIDT IINQKRFNDG TDEKKKLYCI YVAIGQKRST VAQLVKRLTD DATA SEQUENCE ADAMKYTIVV SATASDAAPL QYLAPYSGCS MGEYFRDNGK HALIIYDDLS DATA SEQUENCE KQAVAYRQMS LLLRRPPGRE AYPGDVFYLH SRLLERAAKM NDAFGGGSLT DATA SEQUENCE ALPVIETQAG DVSAYIPTNV ISITDGQIFL ETELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQTRA MKQVAGTMKL ELAQYREVAX XXXXXXXLDA ATQQLLSRGV DATA SEQUENCE RLTELLKQGQ YSPMAIEEQV AVIYAGVRGY LDKLEPSKIT KFENAFLSHV DATA SEQUENCE ISQHQALLSK IRTDGKISEE SDAKLKEIVT NFLAGFEA 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.103 176.094 0.015 0.000 1.182 23 V CA 0.000 62.311 62.300 0.018 0.000 1.235 23 V CB 0.000 31.830 31.823 0.012 0.000 1.184 24 D N 1.521 121.926 120.400 0.008 0.000 2.453 24 D HA 0.385 5.026 4.640 0.002 0.000 0.223 24 D C 1.010 177.310 176.300 -0.001 0.000 1.183 24 D CA 0.005 54.007 54.000 0.002 0.000 0.933 24 D CB 0.800 41.598 40.800 -0.003 0.000 1.038 24 D HN 0.512 nan 8.370 nan 0.000 0.513 25 L N 2.363 123.587 121.223 0.001 0.000 2.551 25 L HA -0.028 4.314 4.340 0.002 0.000 0.228 25 L C 2.048 178.898 176.870 -0.034 0.000 1.153 25 L CA 0.624 55.458 54.840 -0.010 0.000 0.851 25 L CB 0.059 42.117 42.059 -0.002 0.000 0.959 25 L HN 0.347 nan 8.230 nan 0.000 0.451 26 E N -0.349 119.836 120.200 -0.026 0.000 2.086 26 E HA -0.092 4.259 4.350 0.002 0.000 0.190 26 E C 1.524 178.105 176.600 -0.032 0.000 0.975 26 E CA 0.601 56.983 56.400 -0.030 0.000 0.813 26 E CB 0.313 30.001 29.700 -0.021 0.000 0.768 26 E HN 0.356 nan 8.360 nan 0.000 0.457 27 E N -0.084 120.100 120.200 -0.027 0.000 2.489 27 E HA 0.127 4.478 4.350 0.002 0.000 0.204 27 E C 0.002 176.580 176.600 -0.037 0.000 1.006 27 E CA 0.395 56.778 56.400 -0.029 0.000 0.936 27 E CB 1.393 31.081 29.700 -0.021 0.000 1.002 27 E HN 0.017 nan 8.360 nan 0.000 0.488 28 T N -0.480 114.054 114.554 -0.034 0.000 2.883 28 T HA 0.704 5.055 4.350 0.002 0.000 0.301 28 T C -0.169 174.513 174.700 -0.030 0.000 1.158 28 T CA -0.569 61.509 62.100 -0.036 0.000 1.007 28 T CB 2.358 71.214 68.868 -0.020 0.000 1.186 28 T HN 0.112 nan 8.240 nan 0.000 0.499 29 G N 0.633 109.415 108.800 -0.029 0.000 2.687 29 G HA2 0.740 4.701 3.960 0.002 0.000 0.291 29 G HA3 0.740 4.701 3.960 0.002 0.000 0.291 29 G C -1.768 173.150 174.900 0.029 0.000 1.420 29 G CA -1.080 44.022 45.100 0.004 0.000 0.796 29 G HN 0.845 nan 8.290 nan 0.000 0.485 30 R N -0.510 120.038 120.500 0.080 0.000 2.599 30 R HA 0.672 5.013 4.340 0.002 0.000 0.295 30 R C -1.100 175.258 176.300 0.097 0.000 0.963 30 R CA -0.717 55.431 56.100 0.079 0.000 0.883 30 R CB 2.041 32.382 30.300 0.068 0.000 1.171 30 R HN 0.274 nan 8.270 nan 0.000 0.450 31 V N 4.999 124.976 119.914 0.106 0.000 2.540 31 V HA -0.031 4.090 4.120 0.002 0.000 0.297 31 V C 1.460 177.601 176.094 0.079 0.000 1.024 31 V CA 0.220 62.592 62.300 0.120 0.000 1.105 31 V CB 0.529 32.444 31.823 0.153 0.000 0.938 31 V HN 0.774 nan 8.190 nan 0.000 0.482 32 L N 3.823 125.091 121.223 0.075 0.000 2.168 32 L HA 0.134 4.475 4.340 0.002 0.000 0.203 32 L C 0.930 177.819 176.870 0.032 0.000 1.078 32 L CA 0.918 55.786 54.840 0.047 0.000 0.780 32 L CB 0.130 42.223 42.059 0.056 0.000 0.939 32 L HN 0.863 nan 8.230 nan 0.000 0.451 33 S N -1.184 114.537 115.700 0.035 0.000 2.565 33 S HA 0.663 5.134 4.470 0.002 0.000 0.269 33 S C -1.072 173.537 174.600 0.014 0.000 1.153 33 S CA -0.788 57.422 58.200 0.018 0.000 0.835 33 S CB 2.654 65.860 63.200 0.010 0.000 1.122 33 S HN 0.010 nan 8.310 nan 0.000 0.462 34 I N -0.214 120.353 120.570 -0.006 0.000 2.743 34 I HA 0.770 4.941 4.170 0.002 0.000 0.292 34 I C 0.092 176.189 176.117 -0.034 0.000 1.343 34 I CA 0.639 61.923 61.300 -0.027 0.000 1.038 34 I CB 1.663 39.633 38.000 -0.049 0.000 1.311 34 I HN 1.413 nan 8.210 nan 0.000 0.426 35 G N 4.556 113.331 108.800 -0.042 0.000 4.251 35 G HA2 0.019 3.980 3.960 0.002 0.000 0.221 35 G HA3 0.019 3.980 3.960 0.002 0.000 0.221 35 G C -0.378 174.498 174.900 -0.039 0.000 0.836 35 G CA -0.022 45.055 45.100 -0.040 0.000 1.033 35 G HN 0.555 nan 8.290 nan 0.000 0.759 36 D N 0.738 121.111 120.400 -0.045 0.000 2.895 36 D HA 0.365 5.006 4.640 0.002 0.000 0.350 36 D C 1.512 177.777 176.300 -0.059 0.000 1.389 36 D CA 0.425 54.397 54.000 -0.047 0.000 0.812 36 D CB 0.519 41.293 40.800 -0.044 0.000 1.164 36 D HN 0.825 nan 8.370 nan 0.000 0.455 37 G N 1.215 109.977 108.800 -0.064 0.000 2.257 37 G HA2 -0.295 3.666 3.960 0.002 0.000 0.267 37 G HA3 -0.295 3.666 3.960 0.002 0.000 0.267 37 G C 0.457 175.302 174.900 -0.091 0.000 0.984 37 G CA 0.040 45.093 45.100 -0.077 0.000 0.626 37 G HN 0.446 nan 8.290 nan 0.000 0.540 38 I N 1.261 121.787 120.570 -0.073 0.000 2.433 38 I HA 0.607 4.778 4.170 0.002 0.000 0.292 38 I C 0.429 176.527 176.117 -0.032 0.000 1.001 38 I CA -0.542 60.724 61.300 -0.057 0.000 1.119 38 I CB 1.868 39.838 38.000 -0.050 0.000 1.289 38 I HN 0.251 nan 8.210 nan 0.000 0.438 39 A N 7.604 130.427 122.820 0.004 0.000 2.290 39 A HA 0.641 4.962 4.320 0.002 0.000 0.310 39 A C -0.335 177.293 177.584 0.074 0.000 1.202 39 A CA -0.678 51.393 52.037 0.057 0.000 0.837 39 A CB 0.594 19.689 19.000 0.158 0.000 1.139 39 A HN 0.596 nan 8.150 nan 0.000 0.509 40 R N 1.693 122.229 120.500 0.060 0.000 2.265 40 R HA 0.511 4.852 4.340 0.002 0.000 0.319 40 R C -1.154 175.193 176.300 0.078 0.000 1.006 40 R CA -0.371 55.762 56.100 0.055 0.000 0.880 40 R CB 1.292 31.615 30.300 0.038 0.000 1.077 40 R HN 0.438 nan 8.270 nan 0.000 0.454 41 V N 3.164 123.120 119.914 0.070 0.000 2.540 41 V HA 0.185 4.306 4.120 0.002 0.000 0.302 41 V C -0.192 175.946 176.094 0.074 0.000 1.035 41 V CA -0.986 61.359 62.300 0.075 0.000 0.873 41 V CB 1.678 33.522 31.823 0.035 0.000 0.992 41 V HN 0.730 nan 8.190 nan 0.000 0.428 42 H N 2.979 122.053 119.070 0.007 0.000 2.582 42 H HA 0.664 5.221 4.556 0.001 0.000 0.345 42 H C 0.606 175.930 175.328 -0.007 0.000 1.104 42 H CA 1.571 57.620 56.048 0.001 0.000 1.390 42 H CB 1.181 30.945 29.762 0.003 0.000 1.461 42 H HN 1.098 nan 8.280 nan 0.000 0.551 43 G N 2.714 111.211 108.800 -0.505 0.000 2.503 43 G HA2 -0.235 3.726 3.960 0.002 0.000 0.235 43 G HA3 -0.235 3.726 3.960 0.002 0.000 0.235 43 G C -0.039 174.766 174.900 -0.158 0.000 1.179 43 G CA -0.386 44.544 45.100 -0.284 0.000 0.944 43 G HN 1.196 nan 8.290 nan 0.000 0.580 44 L N -0.208 120.958 121.223 -0.094 0.000 3.742 44 L HA -0.230 4.112 4.340 0.002 0.000 0.431 44 L C 2.289 179.117 176.870 -0.071 0.000 1.220 44 L CA 0.828 55.623 54.840 -0.075 0.000 0.863 44 L CB -0.790 41.224 42.059 -0.074 0.000 1.751 44 L HN 0.636 nan 8.230 nan 0.000 0.922 45 R N 0.013 120.468 120.500 -0.074 0.000 2.127 45 R HA -0.096 4.246 4.340 0.002 0.000 0.238 45 R C 1.420 177.694 176.300 -0.044 0.000 1.134 45 R CA 1.537 57.599 56.100 -0.064 0.000 0.975 45 R CB -0.434 29.830 30.300 -0.061 0.000 0.865 45 R HN 0.557 nan 8.270 nan 0.000 0.447 46 N N 0.035 118.713 118.700 -0.038 0.000 2.336 46 N HA -0.002 4.739 4.740 0.002 0.000 0.189 46 N C -0.013 175.482 175.510 -0.025 0.000 1.113 46 N CA -0.032 53.002 53.050 -0.027 0.000 0.858 46 N CB 0.342 38.816 38.487 -0.023 0.000 0.970 46 N HN -0.081 nan 8.380 nan 0.000 0.471 47 V N 1.473 121.368 119.914 -0.032 0.000 2.740 47 V HA -0.023 4.098 4.120 0.002 0.000 0.303 47 V C 0.235 176.319 176.094 -0.018 0.000 1.054 47 V CA -0.054 62.230 62.300 -0.027 0.000 1.106 47 V CB 0.718 32.519 31.823 -0.037 0.000 0.957 47 V HN 0.262 nan 8.190 nan 0.000 0.486 48 Q N 3.987 123.782 119.800 -0.010 0.000 2.260 48 Q HA 0.603 4.944 4.340 0.002 0.000 0.238 48 Q C 0.133 176.135 176.000 0.003 0.000 0.948 48 Q CA -0.240 55.562 55.803 -0.002 0.000 0.895 48 Q CB 1.066 29.806 28.738 0.003 0.000 1.218 48 Q HN 0.963 nan 8.270 nan 0.000 0.470 49 A N 1.885 124.710 122.820 0.008 0.000 2.524 49 A HA 0.037 4.358 4.320 0.002 0.000 0.250 49 A C 0.054 177.652 177.584 0.024 0.000 1.078 49 A CA 0.211 52.258 52.037 0.015 0.000 0.761 49 A CB -0.288 18.722 19.000 0.018 0.000 1.012 49 A HN 0.941 nan 8.150 nan 0.000 0.500 50 E N -0.392 119.829 120.200 0.034 0.000 3.070 50 E HA -0.198 4.153 4.350 0.002 0.000 0.285 50 E C 0.082 176.714 176.600 0.054 0.000 0.972 50 E CA 1.145 57.576 56.400 0.051 0.000 0.915 50 E CB -1.378 28.349 29.700 0.045 0.000 1.466 50 E HN 0.919 nan 8.360 nan 0.000 0.432 51 E N 0.676 120.899 120.200 0.040 0.000 2.331 51 E HA 0.295 4.646 4.350 0.002 0.000 0.272 51 E C -0.054 176.580 176.600 0.057 0.000 1.036 51 E CA -0.532 55.889 56.400 0.036 0.000 0.864 51 E CB 0.718 30.426 29.700 0.012 0.000 1.035 51 E HN 0.064 nan 8.360 nan 0.000 0.408 52 M N 5.058 124.700 119.600 0.070 0.000 2.219 52 M HA 0.136 4.617 4.480 0.002 0.000 0.353 52 M C -1.020 175.302 176.300 0.036 0.000 1.304 52 M CA -0.150 55.210 55.300 0.099 0.000 1.115 52 M CB 0.804 33.468 32.600 0.106 0.000 1.664 52 M HN 0.337 nan 8.290 nan 0.000 0.459 53 V N 1.674 121.595 119.914 0.012 0.000 3.046 53 V HA 0.735 4.856 4.120 0.002 0.000 0.316 53 V C -0.917 175.113 176.094 -0.107 0.000 1.104 53 V CA -0.893 61.348 62.300 -0.098 0.000 1.006 53 V CB 1.904 33.596 31.823 -0.220 0.000 1.058 53 V HN 0.874 nan 8.190 nan 0.000 0.440 54 E N 0.842 120.937 120.200 -0.174 0.000 2.199 54 E HA 0.557 4.908 4.350 0.002 0.000 0.265 54 E C -1.696 174.790 176.600 -0.190 0.000 0.882 54 E CA -0.675 55.675 56.400 -0.082 0.000 0.759 54 E CB 1.653 31.348 29.700 -0.008 0.000 1.148 54 E HN 0.628 nan 8.360 nan 0.000 0.412 55 F N 1.705 121.675 119.950 0.033 0.000 2.370 55 F HA 0.135 4.670 4.527 0.013 0.000 0.324 55 F C 1.909 177.723 175.800 0.024 0.000 1.116 55 F CA -0.084 57.931 58.000 0.025 0.000 1.123 55 F CB 1.431 40.444 39.000 0.022 0.000 1.238 55 F HN 0.483 nan 8.300 nan 0.000 0.536 56 S N 0.541 116.370 115.700 0.216 0.000 2.374 56 S HA -0.217 4.254 4.470 0.002 0.000 0.227 56 S C 2.144 176.811 174.600 0.112 0.000 1.037 56 S CA 2.025 60.299 58.200 0.124 0.000 1.024 56 S CB -0.548 62.715 63.200 0.105 0.000 0.861 56 S HN 0.739 nan 8.310 nan 0.000 0.456 57 S N -0.386 115.393 115.700 0.132 0.000 2.474 57 S HA 0.246 4.717 4.470 0.002 0.000 0.235 57 S C 1.662 176.315 174.600 0.088 0.000 0.997 57 S CA 1.093 59.344 58.200 0.086 0.000 0.949 57 S CB -0.452 62.781 63.200 0.056 0.000 0.766 57 S HN 1.208 nan 8.310 nan 0.000 0.517 58 G N 0.442 109.315 108.800 0.123 0.000 2.195 58 G HA2 -0.184 3.777 3.960 0.002 0.000 0.224 58 G HA3 -0.184 3.777 3.960 0.002 0.000 0.224 58 G C -0.027 174.956 174.900 0.139 0.000 0.990 58 G CA -0.056 45.109 45.100 0.109 0.000 0.639 58 G HN 0.477 nan 8.290 nan 0.000 0.514 59 L N 0.879 122.207 121.223 0.175 0.000 2.467 59 L HA 0.387 4.728 4.340 0.002 0.000 0.270 59 L C 0.734 177.809 176.870 0.343 0.000 1.205 59 L CA -0.115 54.847 54.840 0.203 0.000 0.828 59 L CB 0.496 42.610 42.059 0.091 0.000 1.101 59 L HN -0.008 nan 8.230 nan 0.000 0.479 60 K N 1.211 121.811 120.400 0.334 0.000 2.139 60 K HA 0.741 5.062 4.320 0.002 0.000 0.243 60 K C -0.134 176.751 176.600 0.475 0.000 0.983 60 K CA -0.535 55.983 56.287 0.385 0.000 0.890 60 K CB 1.954 34.656 32.500 0.336 0.000 1.090 60 K HN 0.766 nan 8.250 nan 0.000 0.445 61 G N 0.177 109.211 108.800 0.389 0.000 2.692 61 G HA2 0.533 4.494 3.960 0.002 0.000 0.291 61 G HA3 0.533 4.494 3.960 0.002 0.000 0.291 61 G C -1.601 173.369 174.900 0.116 0.000 1.423 61 G CA -0.714 44.498 45.100 0.186 0.000 0.843 61 G HN 0.448 nan 8.290 nan 0.000 0.486 62 M N 1.375 120.938 119.600 -0.062 0.000 2.227 62 M HA 0.481 4.963 4.480 0.002 0.000 0.335 62 M C -0.268 176.041 176.300 0.015 0.000 1.053 62 M CA -0.557 54.783 55.300 0.067 0.000 0.973 62 M CB 1.421 34.112 32.600 0.153 0.000 1.623 62 M HN 0.362 nan 8.290 nan 0.000 0.434 63 S N 5.326 121.042 115.700 0.026 0.000 2.457 63 S HA 0.054 4.525 4.470 0.002 0.000 0.294 63 S C 0.524 175.135 174.600 0.018 0.000 1.201 63 S CA -0.460 57.745 58.200 0.009 0.000 1.112 63 S CB 0.321 63.521 63.200 -0.000 0.000 1.018 63 S HN 0.716 nan 8.310 nan 0.000 0.511 64 L N 4.461 125.689 121.223 0.009 0.000 2.265 64 L HA 0.383 4.724 4.340 0.002 0.000 0.195 64 L C 0.357 177.235 176.870 0.013 0.000 1.083 64 L CA 1.344 56.193 54.840 0.015 0.000 0.798 64 L CB -0.174 41.885 42.059 -0.001 0.000 0.989 64 L HN 0.477 nan 8.230 nan 0.000 0.472 65 N N 0.164 118.866 118.700 0.004 0.000 2.469 65 N HA 0.410 5.151 4.740 0.002 0.000 0.253 65 N C -1.419 174.091 175.510 -0.001 0.000 0.970 65 N CA -0.205 52.847 53.050 0.003 0.000 0.940 65 N CB 0.663 39.149 38.487 -0.001 0.000 1.128 65 N HN 0.131 nan 8.380 nan 0.000 0.503 66 L N 2.641 123.864 121.223 -0.000 0.000 2.261 66 L HA 0.386 4.727 4.340 0.002 0.000 0.289 66 L C 0.211 177.077 176.870 -0.007 0.000 1.059 66 L CA -0.143 54.693 54.840 -0.007 0.000 0.816 66 L CB 0.634 42.689 42.059 -0.007 0.000 1.191 66 L HN 0.465 nan 8.230 nan 0.000 0.431 67 E N 3.664 123.858 120.200 -0.010 0.000 2.339 67 E HA 0.326 4.677 4.350 0.002 0.000 0.262 67 E C -1.775 174.817 176.600 -0.014 0.000 0.934 67 E CA -1.779 54.616 56.400 -0.008 0.000 0.802 67 E CB 1.837 31.536 29.700 -0.002 0.000 1.275 67 E HN 0.289 nan 8.360 nan 0.000 0.427 68 P HA -0.174 nan 4.420 nan 0.000 0.218 68 P C 0.423 177.712 177.300 -0.018 0.000 1.148 68 P CA 1.367 64.460 63.100 -0.012 0.000 0.822 68 P CB 0.186 31.884 31.700 -0.003 0.000 0.784 69 D N -2.228 118.168 120.400 -0.007 0.000 2.474 69 D HA 0.053 4.694 4.640 0.002 0.000 0.213 69 D C 0.190 176.491 176.300 0.002 0.000 1.120 69 D CA -0.043 53.961 54.000 0.006 0.000 0.836 69 D CB -0.429 40.396 40.800 0.042 0.000 1.019 69 D HN 0.348 nan 8.370 nan 0.000 0.507 70 N N -1.319 117.373 118.700 -0.013 0.000 3.046 70 N HA 0.404 5.145 4.740 0.002 0.000 0.243 70 N C -2.007 173.493 175.510 -0.016 0.000 1.452 70 N CA -0.957 52.090 53.050 -0.005 0.000 0.882 70 N CB 1.823 40.329 38.487 0.033 0.000 1.425 70 N HN -0.214 nan 8.380 nan 0.000 0.517 71 V N 0.067 119.974 119.914 -0.011 0.000 2.487 71 V HA 0.749 4.870 4.120 0.002 0.000 0.298 71 V C 0.513 176.611 176.094 0.007 0.000 1.028 71 V CA -0.638 61.656 62.300 -0.010 0.000 0.860 71 V CB 1.273 33.081 31.823 -0.025 0.000 0.991 71 V HN 0.889 nan 8.190 nan 0.000 0.427 72 G N 3.677 112.480 108.800 0.005 0.000 2.333 72 G HA2 0.510 4.471 3.960 0.002 0.000 0.290 72 G HA3 0.510 4.471 3.960 0.002 0.000 0.290 72 G C -0.692 174.212 174.900 0.007 0.000 1.150 72 G CA -0.172 44.932 45.100 0.007 0.000 0.895 72 G HN 0.541 nan 8.290 nan 0.000 0.444 73 V N 3.783 123.714 119.914 0.028 0.000 2.409 73 V HA 0.226 4.347 4.120 0.002 0.000 0.291 73 V C 0.252 176.340 176.094 -0.010 0.000 1.020 73 V CA -0.765 61.558 62.300 0.039 0.000 0.848 73 V CB 1.701 33.612 31.823 0.146 0.000 0.990 73 V HN 0.518 nan 8.190 nan 0.000 0.430 74 V N 6.011 125.863 119.914 -0.103 0.000 2.488 74 V HA 0.227 4.348 4.120 0.002 0.000 0.277 74 V C 0.169 176.034 176.094 -0.381 0.000 1.046 74 V CA -0.172 61.990 62.300 -0.230 0.000 0.986 74 V CB 1.599 33.260 31.823 -0.269 0.000 0.989 74 V HN 0.619 nan 8.190 nan 0.000 0.475 75 V N 6.245 125.975 119.914 -0.307 0.000 2.370 75 V HA 0.343 4.464 4.120 0.002 0.000 0.279 75 V C 0.026 175.974 176.094 -0.244 0.000 1.029 75 V CA -0.297 61.844 62.300 -0.264 0.000 0.870 75 V CB 1.139 32.817 31.823 -0.243 0.000 0.984 75 V HN 0.742 nan 8.190 nan 0.000 0.451 76 F N 4.365 124.367 119.950 0.087 0.000 2.733 76 F HA 0.604 5.130 4.527 -0.003 0.000 0.344 76 F C 1.158 176.989 175.800 0.052 0.000 1.179 76 F CA 0.230 58.281 58.000 0.085 0.000 1.316 76 F CB 0.335 39.399 39.000 0.106 0.000 1.577 76 F HN 0.721 nan 8.300 nan 0.000 0.591 77 G N 0.184 109.069 108.800 0.141 0.000 2.317 77 G HA2 -0.006 3.955 3.960 0.002 0.000 0.293 77 G HA3 -0.006 3.955 3.960 0.002 0.000 0.293 77 G C -1.878 173.027 174.900 0.008 0.000 1.287 77 G CA -1.116 44.029 45.100 0.075 0.000 0.850 77 G HN 0.042 nan 8.290 nan 0.000 0.515 78 N N 0.703 119.399 118.700 -0.006 0.000 2.497 78 N HA 0.196 4.937 4.740 0.002 0.000 0.271 78 N C 0.922 176.388 175.510 -0.073 0.000 1.142 78 N CA 0.283 53.316 53.050 -0.027 0.000 0.965 78 N CB 1.429 39.907 38.487 -0.016 0.000 1.077 78 N HN 0.514 nan 8.380 nan 0.000 0.462 79 D N 2.633 122.983 120.400 -0.084 0.000 2.363 79 D HA -0.153 4.488 4.640 0.002 0.000 0.220 79 D C 1.312 177.551 176.300 -0.101 0.000 0.994 79 D CA 0.708 54.633 54.000 -0.125 0.000 0.890 79 D CB -0.190 40.538 40.800 -0.119 0.000 0.906 79 D HN 0.760 nan 8.370 nan 0.000 0.530 80 K N 0.886 121.246 120.400 -0.066 0.000 2.211 80 K HA -0.118 4.203 4.320 0.002 0.000 0.204 80 K C 1.581 178.149 176.600 -0.054 0.000 1.047 80 K CA 1.021 57.279 56.287 -0.049 0.000 0.935 80 K CB -0.417 32.065 32.500 -0.030 0.000 0.728 80 K HN 0.216 nan 8.250 nan 0.000 0.452 81 L N 0.868 122.047 121.223 -0.072 0.000 2.591 81 L HA 0.272 4.613 4.340 0.002 0.000 0.228 81 L C 0.334 177.148 176.870 -0.094 0.000 1.133 81 L CA -0.099 54.702 54.840 -0.065 0.000 0.880 81 L CB 0.012 42.038 42.059 -0.055 0.000 1.033 81 L HN 0.187 nan 8.230 nan 0.000 0.450 82 I N -0.171 120.317 120.570 -0.135 0.000 2.465 82 I HA 0.286 4.457 4.170 0.002 0.000 0.291 82 I C -0.347 175.728 176.117 -0.069 0.000 1.014 82 I CA -0.456 60.754 61.300 -0.150 0.000 1.093 82 I CB 1.902 39.685 38.000 -0.361 0.000 1.267 82 I HN -0.065 nan 8.210 nan 0.000 0.431 83 K N 4.373 124.765 120.400 -0.015 0.000 2.385 83 K HA 0.341 4.662 4.320 0.002 0.000 0.248 83 K C -0.683 175.933 176.600 0.026 0.000 0.955 83 K CA -0.942 55.346 56.287 0.002 0.000 0.816 83 K CB 2.361 34.865 32.500 0.007 0.000 1.250 83 K HN 0.524 nan 8.250 nan 0.000 0.434 84 E N 0.487 120.698 120.200 0.019 0.000 2.529 84 E HA -0.091 4.260 4.350 0.002 0.000 0.259 84 E C 0.535 177.153 176.600 0.030 0.000 0.966 84 E CA 1.445 57.860 56.400 0.026 0.000 0.937 84 E CB 0.107 29.814 29.700 0.013 0.000 0.923 84 E HN 0.803 nan 8.360 nan 0.000 0.468 85 G N 4.090 112.914 108.800 0.040 0.000 2.234 85 G HA2 -0.225 3.736 3.960 0.002 0.000 0.235 85 G HA3 -0.225 3.736 3.960 0.002 0.000 0.235 85 G C -0.145 174.786 174.900 0.052 0.000 0.997 85 G CA 0.076 45.198 45.100 0.036 0.000 0.623 85 G HN 0.652 nan 8.290 nan 0.000 0.514 86 D N 0.686 121.131 120.400 0.075 0.000 2.443 86 D HA 0.400 5.041 4.640 0.002 0.000 0.239 86 D C 0.839 177.199 176.300 0.100 0.000 1.136 86 D CA 0.079 54.140 54.000 0.101 0.000 0.879 86 D CB 0.692 41.583 40.800 0.152 0.000 1.195 86 D HN 0.240 nan 8.370 nan 0.000 0.443 87 I N 1.752 122.367 120.570 0.075 0.000 2.529 87 I HA 0.070 4.241 4.170 0.002 0.000 0.284 87 I C -0.046 176.072 176.117 0.001 0.000 1.082 87 I CA -0.067 61.255 61.300 0.036 0.000 1.406 87 I CB 1.006 39.020 38.000 0.023 0.000 1.405 87 I HN 0.010 nan 8.210 nan 0.000 0.548 88 V N 6.561 126.429 119.914 -0.076 0.000 2.540 88 V HA 0.496 4.617 4.120 0.002 0.000 0.302 88 V C -0.213 175.775 176.094 -0.176 0.000 1.035 88 V CA -1.040 61.112 62.300 -0.246 0.000 0.873 88 V CB 1.637 33.228 31.823 -0.388 0.000 0.992 88 V HN 0.575 nan 8.190 nan 0.000 0.428 89 K N 3.355 123.645 120.400 -0.183 0.000 2.259 89 K HA 0.610 4.931 4.320 0.002 0.000 0.252 89 K C -0.442 176.095 176.600 -0.106 0.000 0.936 89 K CA -0.896 55.326 56.287 -0.108 0.000 0.810 89 K CB 2.510 34.971 32.500 -0.064 0.000 1.143 89 K HN 0.544 nan 8.250 nan 0.000 0.427 90 R N 0.593 121.049 120.500 -0.073 0.000 2.643 90 R HA -0.005 4.337 4.340 0.002 0.000 0.270 90 R C 1.126 177.405 176.300 -0.036 0.000 1.061 90 R CA 0.425 56.493 56.100 -0.053 0.000 1.107 90 R CB 0.443 30.720 30.300 -0.039 0.000 0.999 90 R HN 0.815 nan 8.270 nan 0.000 0.460 91 T N -1.915 112.625 114.554 -0.023 0.000 3.001 91 T HA 0.160 4.511 4.350 0.002 0.000 0.251 91 T C 1.325 176.022 174.700 -0.006 0.000 1.040 91 T CA 0.365 62.460 62.100 -0.009 0.000 0.985 91 T CB 0.580 69.450 68.868 0.004 0.000 1.011 91 T HN 0.804 nan 8.240 nan 0.000 0.509 92 G N 1.382 110.177 108.800 -0.007 0.000 2.184 92 G HA2 -0.021 3.940 3.960 0.002 0.000 0.264 92 G HA3 -0.021 3.940 3.960 0.002 0.000 0.264 92 G C 0.210 175.110 174.900 0.001 0.000 0.975 92 G CA -0.067 45.030 45.100 -0.005 0.000 0.642 92 G HN 1.356 nan 8.290 nan 0.000 0.536 93 A N 0.782 123.606 122.820 0.006 0.000 2.318 93 A HA 0.741 5.062 4.320 0.002 0.000 0.317 93 A C 0.405 178.000 177.584 0.018 0.000 1.159 93 A CA -0.735 51.308 52.037 0.010 0.000 0.799 93 A CB 0.855 19.860 19.000 0.008 0.000 1.194 93 A HN 0.552 nan 8.150 nan 0.000 0.479 94 I N 2.457 123.037 120.570 0.017 0.000 2.775 94 I HA -0.047 4.125 4.170 0.002 0.000 0.290 94 I C 0.811 176.945 176.117 0.028 0.000 1.203 94 I CA 0.284 61.599 61.300 0.024 0.000 1.433 94 I CB 0.131 38.141 38.000 0.017 0.000 1.354 94 I HN 0.391 nan 8.210 nan 0.000 0.579 95 V N 7.185 127.129 119.914 0.049 0.000 2.703 95 V HA -0.135 3.986 4.120 0.002 0.000 0.300 95 V C 0.334 176.433 176.094 0.007 0.000 1.063 95 V CA 0.561 62.892 62.300 0.052 0.000 1.240 95 V CB -0.774 31.108 31.823 0.098 0.000 0.845 95 V HN 0.946 nan 8.190 nan 0.000 0.476 96 D N 4.048 124.444 120.400 -0.007 0.000 2.610 96 D HA 0.737 5.378 4.640 0.002 0.000 0.271 96 D C -0.619 175.659 176.300 -0.037 0.000 1.174 96 D CA -0.598 53.390 54.000 -0.020 0.000 0.949 96 D CB 2.191 42.985 40.800 -0.010 0.000 1.430 96 D HN 0.509 nan 8.370 nan 0.000 0.467 97 V N -4.797 115.095 119.914 -0.037 0.000 3.007 97 V HA 0.751 4.872 4.120 0.002 0.000 0.311 97 V C -2.879 173.186 176.094 -0.048 0.000 1.120 97 V CA -2.267 60.006 62.300 -0.046 0.000 0.980 97 V CB 1.874 33.668 31.823 -0.049 0.000 1.033 97 V HN 0.600 nan 8.190 nan 0.000 0.429 98 P HA 0.311 nan 4.420 nan 0.000 0.268 98 P C -0.417 176.818 177.300 -0.110 0.000 1.205 98 P CA 0.273 63.325 63.100 -0.079 0.000 0.771 98 P CB 1.308 32.964 31.700 -0.074 0.000 0.858 99 V N -1.126 118.684 119.914 -0.174 0.000 3.130 99 V HA 1.016 5.138 4.120 0.002 0.000 0.310 99 V C -0.139 175.609 176.094 -0.576 0.000 1.158 99 V CA -0.208 61.915 62.300 -0.295 0.000 1.029 99 V CB 1.480 33.183 31.823 -0.199 0.000 1.057 99 V HN 1.007 nan 8.190 nan 0.000 0.436 100 G N 1.042 109.194 108.800 -1.079 0.000 2.353 100 G HA2 0.081 4.043 3.960 0.002 0.000 0.424 100 G HA3 0.081 4.043 3.960 0.002 0.000 0.424 100 G C -0.277 174.118 174.900 -0.841 0.000 1.320 100 G CA 0.001 44.240 45.100 -1.434 0.000 0.995 100 G HN 0.880 nan 8.290 nan 0.000 0.580 101 E N -0.173 119.730 120.200 -0.494 0.000 2.358 101 E HA -0.004 4.347 4.350 0.002 0.000 0.195 101 E C 1.858 178.426 176.600 -0.052 0.000 1.010 101 E CA 1.075 57.405 56.400 -0.117 0.000 0.856 101 E CB 0.178 29.880 29.700 0.003 0.000 0.795 101 E HN 0.561 nan 8.360 nan 0.000 0.504 102 E N 0.801 120.934 120.200 -0.111 0.000 2.267 102 E HA -0.145 4.206 4.350 0.002 0.000 0.197 102 E C 1.691 178.271 176.600 -0.032 0.000 0.998 102 E CA 0.667 57.031 56.400 -0.060 0.000 0.830 102 E CB -0.101 29.553 29.700 -0.078 0.000 0.751 102 E HN 0.233 nan 8.360 nan 0.000 0.491 103 L N 0.206 121.404 121.223 -0.041 0.000 2.395 103 L HA 0.026 4.367 4.340 0.002 0.000 0.218 103 L C 0.452 177.355 176.870 0.055 0.000 1.130 103 L CA -0.075 54.766 54.840 0.001 0.000 0.826 103 L CB -0.195 41.858 42.059 -0.009 0.000 0.941 103 L HN 0.085 nan 8.230 nan 0.000 0.451 104 L N 0.607 121.886 121.223 0.094 0.000 2.540 104 L HA 0.085 4.426 4.340 0.002 0.000 0.276 104 L C 1.396 178.309 176.870 0.072 0.000 1.212 104 L CA 0.740 55.656 54.840 0.127 0.000 0.893 104 L CB 0.012 42.185 42.059 0.190 0.000 1.138 104 L HN 0.366 nan 8.230 nan 0.000 0.491 105 G N 1.943 110.771 108.800 0.046 0.000 2.176 105 G HA2 -0.204 3.757 3.960 0.002 0.000 0.253 105 G HA3 -0.204 3.757 3.960 0.002 0.000 0.253 105 G C 0.223 175.126 174.900 0.005 0.000 0.979 105 G CA -0.420 44.685 45.100 0.008 0.000 0.641 105 G HN 0.470 nan 8.290 nan 0.000 0.530 106 R N -0.307 120.204 120.500 0.018 0.000 2.732 106 R HA 0.706 5.047 4.340 0.002 0.000 0.278 106 R C -0.267 176.045 176.300 0.020 0.000 0.976 106 R CA -0.805 55.303 56.100 0.014 0.000 0.963 106 R CB 1.766 32.074 30.300 0.013 0.000 1.150 106 R HN 0.231 nan 8.270 nan 0.000 0.478 107 V N 2.680 122.604 119.914 0.016 0.000 2.370 107 V HA 0.419 4.540 4.120 0.002 0.000 0.283 107 V C 0.223 176.330 176.094 0.021 0.000 1.023 107 V CA -0.803 61.512 62.300 0.025 0.000 0.857 107 V CB 1.412 33.248 31.823 0.022 0.000 0.985 107 V HN 0.587 nan 8.190 nan 0.000 0.443 108 V N 1.226 121.155 119.914 0.025 0.000 2.960 108 V HA 0.811 4.932 4.120 0.002 0.000 0.315 108 V C -0.296 175.808 176.094 0.017 0.000 1.087 108 V CA -0.886 61.423 62.300 0.015 0.000 0.982 108 V CB 2.045 33.872 31.823 0.007 0.000 1.039 108 V HN 0.798 nan 8.190 nan 0.000 0.437 109 D N 2.496 122.903 120.400 0.012 0.000 2.414 109 D HA 0.439 5.080 4.640 0.002 0.000 0.259 109 D C 1.277 177.573 176.300 -0.008 0.000 1.269 109 D CA 0.120 54.126 54.000 0.011 0.000 1.028 109 D CB 0.832 41.642 40.800 0.017 0.000 1.093 109 D HN 0.829 nan 8.370 nan 0.000 0.545 110 A N -0.713 122.097 122.820 -0.016 0.000 2.019 110 A HA -0.074 4.247 4.320 0.002 0.000 0.219 110 A C 2.220 179.740 177.584 -0.107 0.000 1.164 110 A CA 1.032 53.036 52.037 -0.054 0.000 0.644 110 A CB -0.855 18.113 19.000 -0.054 0.000 0.805 110 A HN 0.536 nan 8.150 nan 0.000 0.449 111 L N -1.661 119.504 121.223 -0.097 0.000 2.592 111 L HA 0.240 4.581 4.340 0.002 0.000 0.227 111 L C 1.596 178.427 176.870 -0.064 0.000 1.127 111 L CA 0.531 55.304 54.840 -0.113 0.000 0.884 111 L CB -0.010 41.998 42.059 -0.085 0.000 1.065 111 L HN 0.540 nan 8.230 nan 0.000 0.457 112 G N -0.048 108.726 108.800 -0.043 0.000 2.132 112 G HA2 -0.237 3.724 3.960 0.002 0.000 0.234 112 G HA3 -0.237 3.724 3.960 0.002 0.000 0.234 112 G C -0.040 174.848 174.900 -0.020 0.000 0.989 112 G CA -0.366 44.716 45.100 -0.030 0.000 0.676 112 G HN 0.346 nan 8.290 nan 0.000 0.522 113 N N 0.868 119.561 118.700 -0.012 0.000 2.514 113 N HA 0.540 5.281 4.740 0.002 0.000 0.277 113 N C 0.635 176.146 175.510 0.002 0.000 1.126 113 N CA 0.503 53.551 53.050 -0.003 0.000 0.978 113 N CB 1.422 39.912 38.487 0.006 0.000 1.106 113 N HN 0.675 nan 8.380 nan 0.000 0.461 114 A N 1.896 124.717 122.820 0.002 0.000 2.520 114 A HA 0.170 4.491 4.320 0.002 0.000 0.245 114 A C 1.278 178.867 177.584 0.009 0.000 1.072 114 A CA -0.046 51.994 52.037 0.004 0.000 0.761 114 A CB -0.520 18.481 19.000 0.002 0.000 1.004 114 A HN 0.819 nan 8.150 nan 0.000 0.499 115 I N -0.840 119.737 120.570 0.011 0.000 4.147 115 I HA 0.257 4.428 4.170 0.002 0.000 0.329 115 I C 0.279 176.403 176.117 0.011 0.000 1.424 115 I CA 0.020 61.329 61.300 0.014 0.000 1.127 115 I CB 0.470 38.481 38.000 0.019 0.000 1.128 115 I HN 0.460 nan 8.210 nan 0.000 0.417 116 D N 0.990 121.395 120.400 0.008 0.000 2.349 116 D HA 0.166 4.807 4.640 0.002 0.000 0.214 116 D C 1.653 177.954 176.300 0.002 0.000 1.063 116 D CA 0.434 54.437 54.000 0.004 0.000 0.847 116 D CB 0.168 40.969 40.800 0.002 0.000 0.933 116 D HN 0.397 nan 8.370 nan 0.000 0.513 117 G N 1.037 109.839 108.800 0.003 0.000 2.168 117 G HA2 -0.383 3.578 3.960 0.002 0.000 0.257 117 G HA3 -0.383 3.578 3.960 0.002 0.000 0.257 117 G C 0.805 175.705 174.900 0.000 0.000 0.997 117 G CA 0.511 45.612 45.100 0.002 0.000 0.708 117 G HN 0.464 nan 8.290 nan 0.000 0.520 118 K N 0.321 120.721 120.400 -0.000 0.000 2.437 118 K HA 0.438 4.759 4.320 0.002 0.000 0.198 118 K C 1.493 178.092 176.600 -0.001 0.000 1.024 118 K CA 0.415 56.701 56.287 -0.001 0.000 1.148 118 K CB 0.225 32.724 32.500 -0.002 0.000 0.860 118 K HN 1.385 nan 8.250 nan 0.000 0.515 119 G N 2.256 111.056 108.800 -0.000 0.000 2.660 119 G HA2 -0.194 3.767 3.960 0.002 0.000 0.247 119 G HA3 -0.194 3.767 3.960 0.002 0.000 0.247 119 G C -2.667 172.231 174.900 -0.003 0.000 1.328 119 G CA -1.281 43.818 45.100 -0.001 0.000 0.884 119 G HN 0.020 nan 8.290 nan 0.000 0.531 120 P HA 0.434 nan 4.420 nan 0.000 0.267 120 P C 0.018 177.311 177.300 -0.011 0.000 1.200 120 P CA 0.001 63.096 63.100 -0.007 0.000 0.772 120 P CB 0.328 32.023 31.700 -0.007 0.000 0.855 121 I N 1.248 121.808 120.570 -0.016 0.000 2.339 121 I HA 0.238 4.410 4.170 0.002 0.000 0.290 121 I C 1.629 177.727 176.117 -0.033 0.000 0.994 121 I CA -0.215 61.071 61.300 -0.024 0.000 1.191 121 I CB 1.555 39.538 38.000 -0.028 0.000 1.343 121 I HN 0.454 nan 8.210 nan 0.000 0.458 122 G N 3.821 112.599 108.800 -0.036 0.000 2.625 122 G HA2 -0.098 3.863 3.960 0.002 0.000 0.214 122 G HA3 -0.098 3.863 3.960 0.002 0.000 0.214 122 G C 0.712 175.578 174.900 -0.056 0.000 1.132 122 G CA -0.071 45.005 45.100 -0.039 0.000 0.782 122 G HN 0.573 nan 8.290 nan 0.000 0.538 123 S N 0.508 116.161 115.700 -0.077 0.000 2.575 123 S HA 0.101 4.572 4.470 0.002 0.000 0.295 123 S C 1.225 175.774 174.600 -0.085 0.000 1.267 123 S CA 0.010 58.144 58.200 -0.110 0.000 1.074 123 S CB 1.173 64.287 63.200 -0.142 0.000 0.829 123 S HN 0.255 nan 8.310 nan 0.000 0.497 124 K N 1.385 121.734 120.400 -0.086 0.000 2.287 124 K HA 0.210 4.532 4.320 0.002 0.000 0.199 124 K C 0.936 177.500 176.600 -0.059 0.000 1.061 124 K CA 0.303 56.554 56.287 -0.060 0.000 0.976 124 K CB -0.002 32.470 32.500 -0.046 0.000 0.898 124 K HN 0.643 nan 8.250 nan 0.000 0.492 125 A N 2.014 124.787 122.820 -0.078 0.000 2.332 125 A HA 0.460 4.781 4.320 0.002 0.000 0.258 125 A C -0.258 177.284 177.584 -0.071 0.000 1.087 125 A CA -0.139 51.860 52.037 -0.063 0.000 0.802 125 A CB 0.426 19.395 19.000 -0.052 0.000 1.042 125 A HN 0.170 nan 8.150 nan 0.000 0.489 126 R N 0.279 120.754 120.500 -0.042 0.000 2.725 126 R HA 0.592 4.933 4.340 0.002 0.000 0.277 126 R C -1.070 175.220 176.300 -0.017 0.000 0.987 126 R CA -0.741 55.337 56.100 -0.037 0.000 0.901 126 R CB 2.507 32.790 30.300 -0.029 0.000 1.207 126 R HN 0.798 nan 8.270 nan 0.000 0.463 127 R N 1.223 121.715 120.500 -0.013 0.000 2.686 127 R HA 0.393 4.734 4.340 0.002 0.000 0.286 127 R C -0.582 175.718 176.300 -0.000 0.000 0.969 127 R CA -1.082 55.020 56.100 0.003 0.000 0.898 127 R CB 2.399 32.711 30.300 0.019 0.000 1.183 127 R HN 0.348 nan 8.270 nan 0.000 0.456 128 R N 1.231 121.733 120.500 0.004 0.000 2.489 128 R HA -0.023 4.318 4.340 0.002 0.000 0.287 128 R C 1.577 177.875 176.300 -0.004 0.000 1.053 128 R CA -0.094 56.005 56.100 -0.001 0.000 1.036 128 R CB 0.546 30.847 30.300 0.001 0.000 0.966 128 R HN 0.524 nan 8.270 nan 0.000 0.432 129 V N 1.113 121.017 119.914 -0.018 0.000 2.759 129 V HA -0.018 4.103 4.120 0.002 0.000 0.256 129 V C 1.352 177.421 176.094 -0.043 0.000 1.080 129 V CA 1.879 64.170 62.300 -0.014 0.000 1.101 129 V CB -0.280 31.521 31.823 -0.036 0.000 0.698 129 V HN 0.871 nan 8.190 nan 0.000 0.477 130 G N -0.238 108.513 108.800 -0.081 0.000 3.284 130 G HA2 0.278 4.239 3.960 0.002 0.000 0.236 130 G HA3 0.278 4.239 3.960 0.002 0.000 0.236 130 G C 0.444 175.312 174.900 -0.053 0.000 1.158 130 G CA -0.373 44.651 45.100 -0.126 0.000 0.774 130 G HN 0.438 nan 8.290 nan 0.000 0.545 131 L N 1.173 122.387 121.223 -0.014 0.000 2.540 131 L HA 0.139 4.480 4.340 0.002 0.000 0.276 131 L C 0.761 177.638 176.870 0.012 0.000 1.212 131 L CA -0.029 54.815 54.840 0.006 0.000 0.893 131 L CB 0.674 42.745 42.059 0.018 0.000 1.138 131 L HN 0.107 nan 8.230 nan 0.000 0.491 132 K N 3.770 124.181 120.400 0.019 0.000 2.382 132 K HA 0.264 4.585 4.320 0.002 0.000 0.275 132 K C 0.017 176.630 176.600 0.022 0.000 1.009 132 K CA -0.363 55.940 56.287 0.027 0.000 0.970 132 K CB 0.889 33.412 32.500 0.038 0.000 0.934 132 K HN 0.709 nan 8.250 nan 0.000 0.479 133 A N 5.382 128.215 122.820 0.021 0.000 2.520 133 A HA 0.184 4.505 4.320 0.002 0.000 0.235 133 A C -2.097 175.481 177.584 -0.009 0.000 1.065 133 A CA -0.991 51.051 52.037 0.008 0.000 0.764 133 A CB -0.555 18.451 19.000 0.009 0.000 1.002 133 A HN 0.643 nan 8.150 nan 0.000 0.502 134 P HA 0.173 nan 4.420 nan 0.000 0.265 134 P C 0.776 178.029 177.300 -0.079 0.000 1.187 134 P CA 0.755 63.802 63.100 -0.089 0.000 0.766 134 P CB 0.452 32.059 31.700 -0.156 0.000 0.820 135 G N 1.430 110.179 108.800 -0.085 0.000 2.485 135 G HA2 0.120 4.081 3.960 0.002 0.000 0.260 135 G HA3 0.120 4.081 3.960 0.002 0.000 0.260 135 G C 1.101 175.956 174.900 -0.074 0.000 1.459 135 G CA -0.572 44.495 45.100 -0.056 0.000 1.060 135 G HN 0.414 nan 8.290 nan 0.000 0.546 136 I N -0.218 120.324 120.570 -0.047 0.000 2.142 136 I HA -0.129 4.042 4.170 0.002 0.000 0.240 136 I C 2.621 178.699 176.117 -0.065 0.000 1.078 136 I CA 0.726 62.000 61.300 -0.043 0.000 1.343 136 I CB -0.138 37.851 38.000 -0.018 0.000 1.046 136 I HN 0.234 nan 8.210 nan 0.000 0.405 137 I N 1.016 121.550 120.570 -0.060 0.000 2.286 137 I HA -0.153 4.018 4.170 0.002 0.000 0.248 137 I C -0.305 175.740 176.117 -0.121 0.000 1.115 137 I CA 1.751 63.023 61.300 -0.046 0.000 1.392 137 I CB -2.368 35.641 38.000 0.014 0.000 1.065 137 I HN 0.150 nan 8.210 nan 0.000 0.418 138 P HA -0.060 nan 4.420 nan 0.000 0.231 138 P C 0.304 177.357 177.300 -0.413 0.000 1.158 138 P CA 0.937 63.561 63.100 -0.793 0.000 0.763 138 P CB 0.053 30.936 31.700 -1.361 0.000 0.805 139 R N -0.507 119.868 120.500 -0.208 0.000 2.674 139 R HA 0.728 5.069 4.340 0.002 0.000 0.266 139 R C -0.203 176.068 176.300 -0.049 0.000 1.016 139 R CA -0.866 55.165 56.100 -0.114 0.000 1.062 139 R CB 1.385 31.633 30.300 -0.087 0.000 1.142 139 R HN -0.007 nan 8.270 nan 0.000 0.517 140 I N -0.299 120.257 120.570 -0.024 0.000 3.006 140 I HA 0.195 4.366 4.170 0.002 0.000 0.306 140 I C -0.552 175.564 176.117 -0.002 0.000 1.250 140 I CA -0.684 60.613 61.300 -0.004 0.000 0.996 140 I CB 2.425 40.432 38.000 0.011 0.000 1.261 140 I HN 0.821 nan 8.210 nan 0.000 0.442 141 S N 4.496 120.196 115.700 0.001 0.000 2.558 141 S HA 0.201 4.672 4.470 0.002 0.000 0.288 141 S C 0.031 174.632 174.600 0.001 0.000 1.318 141 S CA -0.613 57.587 58.200 0.001 0.000 1.056 141 S CB 0.882 64.083 63.200 0.001 0.000 0.853 141 S HN 0.724 nan 8.310 nan 0.000 0.505 142 V N 2.366 122.280 119.914 -0.001 0.000 2.585 142 V HA 0.403 4.524 4.120 0.002 0.000 0.296 142 V C 0.908 176.996 176.094 -0.011 0.000 1.035 142 V CA -0.062 62.236 62.300 -0.004 0.000 1.084 142 V CB 0.145 31.965 31.823 -0.006 0.000 0.953 142 V HN 1.126 nan 8.190 nan 0.000 0.483 143 R N 1.831 122.319 120.500 -0.020 0.000 2.612 143 R HA 0.415 4.756 4.340 0.002 0.000 0.260 143 R C 0.039 176.310 176.300 -0.048 0.000 0.943 143 R CA -0.416 55.669 56.100 -0.025 0.000 1.036 143 R CB 0.478 30.768 30.300 -0.016 0.000 1.520 143 R HN 0.701 nan 8.270 nan 0.000 0.563 144 E N 3.155 123.313 120.200 -0.071 0.000 2.175 144 E HA 0.332 4.683 4.350 0.002 0.000 0.278 144 E C -2.606 173.913 176.600 -0.135 0.000 0.969 144 E CA -2.524 53.802 56.400 -0.123 0.000 0.796 144 E CB 1.673 31.259 29.700 -0.191 0.000 1.104 144 E HN -0.058 nan 8.360 nan 0.000 0.395 145 P HA -0.015 nan 4.420 nan 0.000 0.267 145 P C -0.708 176.483 177.300 -0.180 0.000 1.205 145 P CA 0.018 63.041 63.100 -0.129 0.000 0.765 145 P CB 0.428 32.060 31.700 -0.112 0.000 0.828 146 M N 4.067 123.591 119.600 -0.126 0.000 2.103 146 M HA 0.146 4.627 4.480 0.002 0.000 0.350 146 M C -0.663 175.599 176.300 -0.065 0.000 1.100 146 M CA -0.374 54.852 55.300 -0.123 0.000 1.042 146 M CB 0.197 32.747 32.600 -0.084 0.000 1.368 146 M HN 0.315 nan 8.290 nan 0.000 0.404 147 Q N 2.609 122.378 119.800 -0.052 0.000 2.295 147 Q HA 0.191 4.532 4.340 0.002 0.000 0.259 147 Q C 1.239 177.280 176.000 0.069 0.000 0.976 147 Q CA 0.103 55.929 55.803 0.039 0.000 0.923 147 Q CB 1.010 29.828 28.738 0.133 0.000 1.185 147 Q HN 0.766 nan 8.270 nan 0.000 0.410 148 T N -1.434 113.148 114.554 0.047 0.000 3.035 148 T HA 0.098 4.449 4.350 0.002 0.000 0.259 148 T C 1.258 175.986 174.700 0.046 0.000 1.078 148 T CA 0.689 62.815 62.100 0.044 0.000 1.132 148 T CB 0.073 68.959 68.868 0.030 0.000 0.900 148 T HN 0.839 nan 8.240 nan 0.000 0.480 149 G N 1.486 110.313 108.800 0.045 0.000 2.162 149 G HA2 -0.205 3.756 3.960 0.002 0.000 0.260 149 G HA3 -0.205 3.756 3.960 0.002 0.000 0.260 149 G C 0.008 174.918 174.900 0.017 0.000 0.976 149 G CA 0.208 45.325 45.100 0.028 0.000 0.655 149 G HN 0.686 nan 8.290 nan 0.000 0.533 150 I N 0.634 121.216 120.570 0.019 0.000 2.312 150 I HA 0.277 4.448 4.170 0.002 0.000 0.290 150 I C 1.531 177.659 176.117 0.019 0.000 1.008 150 I CA -0.828 60.480 61.300 0.014 0.000 1.226 150 I CB 1.347 39.354 38.000 0.012 0.000 1.371 150 I HN -0.026 nan 8.210 nan 0.000 0.468 151 K N 4.274 124.684 120.400 0.018 0.000 2.044 151 K HA -0.239 4.082 4.320 0.002 0.000 0.210 151 K C 2.115 178.730 176.600 0.025 0.000 1.049 151 K CA 1.924 58.225 56.287 0.024 0.000 0.927 151 K CB -0.195 32.320 32.500 0.025 0.000 0.713 151 K HN 0.803 nan 8.250 nan 0.000 0.443 152 A N 0.926 123.761 122.820 0.024 0.000 1.940 152 A HA -0.144 4.177 4.320 0.002 0.000 0.219 152 A C 2.393 179.995 177.584 0.030 0.000 1.176 152 A CA 1.669 53.723 52.037 0.028 0.000 0.631 152 A CB -0.607 18.411 19.000 0.029 0.000 0.814 152 A HN 0.098 nan 8.150 nan 0.000 0.446 153 V N 0.197 120.128 119.914 0.028 0.000 2.302 153 V HA -0.159 3.962 4.120 0.002 0.000 0.243 153 V C 2.075 178.184 176.094 0.025 0.000 1.036 153 V CA 2.065 64.382 62.300 0.028 0.000 1.020 153 V CB -0.799 31.039 31.823 0.025 0.000 0.657 153 V HN 0.446 nan 8.190 nan 0.000 0.453 154 D N 0.454 120.869 120.400 0.024 0.000 2.218 154 D HA -0.109 4.532 4.640 0.002 0.000 0.204 154 D C 2.378 178.692 176.300 0.024 0.000 0.976 154 D CA 1.668 55.682 54.000 0.023 0.000 0.853 154 D CB -0.082 40.734 40.800 0.027 0.000 0.939 154 D HN 0.606 nan 8.370 nan 0.000 0.481 155 S N -0.661 115.055 115.700 0.027 0.000 2.387 155 S HA 0.056 4.527 4.470 0.002 0.000 0.221 155 S C 1.966 176.582 174.600 0.027 0.000 1.041 155 S CA 0.211 58.428 58.200 0.028 0.000 0.959 155 S CB -0.242 62.976 63.200 0.031 0.000 0.843 155 S HN 0.186 nan 8.310 nan 0.000 0.488 156 L N 0.872 122.113 121.223 0.029 0.000 2.515 156 L HA 0.384 4.725 4.340 0.002 0.000 0.223 156 L C -0.073 176.816 176.870 0.032 0.000 1.079 156 L CA 0.080 54.939 54.840 0.032 0.000 0.857 156 L CB 0.736 42.817 42.059 0.037 0.000 1.050 156 L HN 0.181 nan 8.230 nan 0.000 0.476 157 V N 0.558 120.491 119.914 0.031 0.000 2.562 157 V HA 0.251 4.372 4.120 0.002 0.000 0.274 157 V C -2.424 173.684 176.094 0.023 0.000 1.075 157 V CA -1.262 61.056 62.300 0.030 0.000 1.204 157 V CB 0.034 31.880 31.823 0.039 0.000 1.478 157 V HN -0.005 nan 8.190 nan 0.000 0.622 158 P HA 0.294 nan 4.420 nan 0.000 0.268 158 P C -0.405 176.898 177.300 0.005 0.000 1.205 158 P CA 0.326 63.432 63.100 0.010 0.000 0.771 158 P CB 1.467 33.171 31.700 0.007 0.000 0.858 159 I N 1.569 122.138 120.570 -0.002 0.000 2.404 159 I HA 0.480 4.651 4.170 0.002 0.000 0.293 159 I C 1.006 177.108 176.117 -0.025 0.000 0.992 159 I CA -0.576 60.718 61.300 -0.008 0.000 1.149 159 I CB 2.057 40.053 38.000 -0.006 0.000 1.315 159 I HN 0.327 nan 8.210 nan 0.000 0.446 160 G N 4.435 113.220 108.800 -0.025 0.000 2.461 160 G HA2 0.545 4.506 3.960 0.002 0.000 0.329 160 G HA3 0.545 4.506 3.960 0.002 0.000 0.329 160 G C -0.543 174.332 174.900 -0.041 0.000 1.170 160 G CA -0.807 44.269 45.100 -0.040 0.000 0.935 160 G HN 0.534 nan 8.290 nan 0.000 0.492 161 R N 0.011 120.474 120.500 -0.062 0.000 2.296 161 R HA 0.430 4.771 4.340 0.002 0.000 0.323 161 R C 1.155 177.459 176.300 0.006 0.000 1.067 161 R CA 1.186 57.261 56.100 -0.043 0.000 0.946 161 R CB 0.766 31.001 30.300 -0.108 0.000 0.991 161 R HN 1.015 nan 8.270 nan 0.000 0.448 162 G N 1.879 110.692 108.800 0.021 0.000 2.278 162 G HA2 -0.273 3.688 3.960 0.002 0.000 0.210 162 G HA3 -0.273 3.688 3.960 0.002 0.000 0.210 162 G C 0.184 175.093 174.900 0.014 0.000 1.000 162 G CA -0.255 44.860 45.100 0.025 0.000 0.635 162 G HN 0.566 nan 8.290 nan 0.000 0.495 163 Q N 0.482 120.286 119.800 0.007 0.000 2.417 163 Q HA 0.614 4.955 4.340 0.002 0.000 0.241 163 Q C -0.142 175.865 176.000 0.011 0.000 1.008 163 Q CA -0.179 55.628 55.803 0.007 0.000 0.901 163 Q CB 0.369 29.108 28.738 0.002 0.000 1.259 163 Q HN 0.327 nan 8.270 nan 0.000 0.489 164 R N 2.047 122.556 120.500 0.015 0.000 2.343 164 R HA 0.329 4.671 4.340 0.002 0.000 0.320 164 R C -1.409 174.901 176.300 0.017 0.000 0.956 164 R CA -0.530 55.581 56.100 0.019 0.000 0.836 164 R CB 1.654 31.968 30.300 0.023 0.000 1.151 164 R HN 0.484 nan 8.270 nan 0.000 0.450 165 E N 2.769 122.979 120.200 0.016 0.000 2.255 165 E HA 0.258 4.609 4.350 0.002 0.000 0.256 165 E C -1.481 175.131 176.600 0.021 0.000 0.887 165 E CA -0.879 55.532 56.400 0.019 0.000 0.782 165 E CB 0.890 30.601 29.700 0.017 0.000 1.214 165 E HN 0.383 nan 8.360 nan 0.000 0.417 166 L N 5.494 126.731 121.223 0.024 0.000 2.410 166 L HA 0.417 4.758 4.340 0.002 0.000 0.273 166 L C -0.894 176.000 176.870 0.040 0.000 1.152 166 L CA 0.329 55.184 54.840 0.024 0.000 0.855 166 L CB 0.362 42.434 42.059 0.021 0.000 1.129 166 L HN 0.650 nan 8.230 nan 0.000 0.463 167 I N 6.981 127.571 120.570 0.034 0.000 2.321 167 I HA 0.407 4.578 4.170 0.002 0.000 0.291 167 I C -0.292 175.856 176.117 0.052 0.000 0.998 167 I CA -0.190 61.135 61.300 0.042 0.000 1.227 167 I CB 1.244 39.260 38.000 0.026 0.000 1.368 167 I HN 0.582 nan 8.210 nan 0.000 0.466 168 I N 5.349 125.975 120.570 0.094 0.000 2.656 168 I HA 0.860 5.031 4.170 0.002 0.000 0.292 168 I C -0.461 175.742 176.117 0.144 0.000 1.144 168 I CA 0.030 61.414 61.300 0.140 0.000 1.038 168 I CB 1.988 40.102 38.000 0.191 0.000 1.244 168 I HN 0.705 nan 8.210 nan 0.000 0.420 169 G N 4.910 113.759 108.800 0.081 0.000 2.328 169 G HA2 0.185 4.146 3.960 0.002 0.000 0.295 169 G HA3 0.185 4.146 3.960 0.002 0.000 0.295 169 G C -1.932 172.955 174.900 -0.021 0.000 1.413 169 G CA -0.787 44.284 45.100 -0.048 0.000 0.817 169 G HN 0.496 nan 8.290 nan 0.000 0.546 170 D N 0.138 120.504 120.400 -0.056 0.000 2.363 170 D HA 0.314 4.955 4.640 0.002 0.000 0.240 170 D C 1.352 177.606 176.300 -0.077 0.000 1.236 170 D CA -0.041 53.938 54.000 -0.035 0.000 0.927 170 D CB 0.489 41.268 40.800 -0.035 0.000 1.150 170 D HN 0.691 nan 8.370 nan 0.000 0.458 171 R N 0.635 121.104 120.500 -0.051 0.000 2.640 171 R HA -0.060 4.282 4.340 0.002 0.000 0.270 171 R C -0.197 176.020 176.300 -0.139 0.000 1.024 171 R CA -0.023 56.038 56.100 -0.065 0.000 1.085 171 R CB 0.173 30.458 30.300 -0.026 0.000 0.963 171 R HN 0.235 nan 8.270 nan 0.000 0.426 172 Q N 0.519 120.219 119.800 -0.167 0.000 2.468 172 Q HA -0.154 4.188 4.340 0.002 0.000 0.289 172 Q C 0.165 175.757 176.000 -0.680 0.000 1.299 172 Q CA 1.703 57.338 55.803 -0.280 0.000 0.838 172 Q CB -1.786 26.855 28.738 -0.161 0.000 1.195 172 Q HN 0.995 nan 8.270 nan 0.000 0.456 173 T N -5.249 108.951 114.554 -0.590 0.000 3.054 173 T HA 0.443 4.794 4.350 0.002 0.000 0.255 173 T C 1.173 175.554 174.700 -0.531 0.000 1.035 173 T CA 0.748 62.386 62.100 -0.771 0.000 0.941 173 T CB 1.063 69.693 68.868 -0.396 0.000 1.026 173 T HN 0.816 nan 8.240 nan 0.000 0.533 174 G N 1.731 110.331 108.800 -0.334 0.000 2.143 174 G HA2 -0.219 3.742 3.960 0.002 0.000 0.175 174 G HA3 -0.219 3.742 3.960 0.002 0.000 0.175 174 G C 0.734 175.602 174.900 -0.052 0.000 1.004 174 G CA 0.155 45.200 45.100 -0.092 0.000 0.671 174 G HN 0.479 nan 8.290 nan 0.000 0.512 175 K N -0.212 120.147 120.400 -0.068 0.000 1.985 175 K HA -0.070 4.251 4.320 0.002 0.000 0.210 175 K C 2.532 179.142 176.600 0.017 0.000 1.047 175 K CA 1.908 58.180 56.287 -0.025 0.000 0.932 175 K CB -0.420 32.065 32.500 -0.025 0.000 0.716 175 K HN 0.292 nan 8.250 nan 0.000 0.439 176 T N 1.260 115.835 114.554 0.035 0.000 2.759 176 T HA -0.113 4.238 4.350 0.002 0.000 0.269 176 T C 2.102 176.836 174.700 0.057 0.000 1.042 176 T CA 1.546 63.695 62.100 0.083 0.000 1.140 176 T CB -0.215 68.712 68.868 0.098 0.000 0.864 176 T HN 0.161 nan 8.240 nan 0.000 0.455 177 S N 1.160 116.875 115.700 0.025 0.000 2.383 177 S HA -0.058 4.413 4.470 0.002 0.000 0.229 177 S C 2.010 176.608 174.600 -0.003 0.000 1.030 177 S CA 0.694 58.893 58.200 -0.002 0.000 1.002 177 S CB -0.358 62.820 63.200 -0.037 0.000 0.829 177 S HN 0.353 nan 8.310 nan 0.000 0.467 178 I N 2.021 122.597 120.570 0.010 0.000 2.127 178 I HA -0.194 3.977 4.170 0.002 0.000 0.241 178 I C 2.766 178.902 176.117 0.033 0.000 1.075 178 I CA 1.479 62.789 61.300 0.016 0.000 1.334 178 I CB -1.778 36.233 38.000 0.019 0.000 1.040 178 I HN 0.259 nan 8.210 nan 0.000 0.405 179 A N 1.133 123.986 122.820 0.054 0.000 1.902 179 A HA -0.168 4.153 4.320 0.002 0.000 0.217 179 A C 2.211 179.838 177.584 0.070 0.000 1.181 179 A CA 1.335 53.419 52.037 0.079 0.000 0.623 179 A CB -0.576 18.511 19.000 0.144 0.000 0.818 179 A HN 0.283 nan 8.150 nan 0.000 0.443 180 I N 0.549 121.148 120.570 0.049 0.000 2.226 180 I HA -0.183 3.988 4.170 0.002 0.000 0.245 180 I C 1.769 177.925 176.117 0.064 0.000 1.100 180 I CA 1.569 62.888 61.300 0.032 0.000 1.374 180 I CB -1.628 36.397 38.000 0.042 0.000 1.057 180 I HN 0.250 nan 8.210 nan 0.000 0.413 181 D N 0.462 120.894 120.400 0.054 0.000 2.144 181 D HA -0.122 4.519 4.640 0.002 0.000 0.199 181 D C 2.208 178.543 176.300 0.057 0.000 0.984 181 D CA 1.365 55.396 54.000 0.052 0.000 0.834 181 D CB -0.143 40.661 40.800 0.007 0.000 0.955 181 D HN 0.253 nan 8.370 nan 0.000 0.465 182 T N 0.606 115.193 114.554 0.054 0.000 2.708 182 T HA -0.092 4.259 4.350 0.002 0.000 0.266 182 T C 2.185 176.937 174.700 0.087 0.000 1.037 182 T CA 0.640 62.776 62.100 0.061 0.000 1.146 182 T CB -0.213 68.684 68.868 0.048 0.000 0.865 182 T HN 0.153 nan 8.240 nan 0.000 0.435 183 I N 0.676 121.306 120.570 0.099 0.000 2.127 183 I HA -0.155 4.016 4.170 0.002 0.000 0.241 183 I C 2.286 178.536 176.117 0.222 0.000 1.075 183 I CA 1.438 62.834 61.300 0.159 0.000 1.334 183 I CB -0.420 37.646 38.000 0.110 0.000 1.040 183 I HN 0.193 nan 8.210 nan 0.000 0.405 184 I N 0.760 121.414 120.570 0.139 0.000 2.335 184 I HA -0.328 3.843 4.170 0.002 0.000 0.251 184 I C 2.237 178.428 176.117 0.123 0.000 1.129 184 I CA 1.414 62.794 61.300 0.133 0.000 1.402 184 I CB -0.583 37.471 38.000 0.089 0.000 1.069 184 I HN 0.336 nan 8.210 nan 0.000 0.424 185 N N 0.656 119.406 118.700 0.085 0.000 2.205 185 N HA -0.207 4.535 4.740 0.002 0.000 0.186 185 N C 1.782 177.277 175.510 -0.024 0.000 1.015 185 N CA 1.203 54.270 53.050 0.028 0.000 0.862 185 N CB 0.020 38.540 38.487 0.055 0.000 0.986 185 N HN 0.249 nan 8.380 nan 0.000 0.429 186 Q N 0.339 120.157 119.800 0.031 0.000 2.436 186 Q HA -0.090 4.252 4.340 0.002 0.000 0.209 186 Q C 1.658 177.483 176.000 -0.292 0.000 0.965 186 Q CA 0.524 56.297 55.803 -0.051 0.000 0.910 186 Q CB -0.231 28.385 28.738 -0.204 0.000 0.980 186 Q HN 0.535 nan 8.270 nan 0.000 0.491 187 K N 1.795 122.114 120.400 -0.135 0.000 2.089 187 K HA -0.238 4.083 4.320 0.002 0.000 0.210 187 K C 2.064 178.544 176.600 -0.201 0.000 1.048 187 K CA 1.836 58.091 56.287 -0.055 0.000 0.926 187 K CB -0.015 32.549 32.500 0.107 0.000 0.714 187 K HN 0.259 nan 8.250 nan 0.000 0.448 188 R N -0.504 119.778 120.500 -0.362 0.000 2.120 188 R HA -0.125 4.216 4.340 0.002 0.000 0.234 188 R C 1.820 177.839 176.300 -0.469 0.000 1.123 188 R CA 1.767 57.590 56.100 -0.462 0.000 0.975 188 R CB -0.570 29.367 30.300 -0.606 0.000 0.866 188 R HN 0.215 nan 8.270 nan 0.000 0.446 189 F N 1.253 121.106 119.950 -0.162 0.000 2.317 189 F HA 0.145 4.673 4.527 0.001 0.000 0.293 189 F C 1.824 177.497 175.800 -0.211 0.000 1.085 189 F CA 0.170 58.063 58.000 -0.178 0.000 1.390 189 F CB -0.263 38.613 39.000 -0.207 0.000 1.077 189 F HN -0.028 nan 8.300 nan 0.000 0.517 190 N N 0.203 118.814 118.700 -0.149 0.000 2.396 190 N HA -0.122 4.620 4.740 0.002 0.000 0.180 190 N C 0.943 176.398 175.510 -0.093 0.000 1.028 190 N CA 0.980 53.888 53.050 -0.237 0.000 0.893 190 N CB -0.455 37.702 38.487 -0.551 0.000 0.967 190 N HN 0.234 nan 8.380 nan 0.000 0.440 191 D N 0.103 120.462 120.400 -0.069 0.000 2.347 191 D HA 0.031 4.672 4.640 0.002 0.000 0.215 191 D C 1.292 177.582 176.300 -0.017 0.000 0.976 191 D CA 0.297 54.282 54.000 -0.026 0.000 0.884 191 D CB -0.196 40.582 40.800 -0.036 0.000 0.915 191 D HN 0.164 nan 8.370 nan 0.000 0.526 192 G N -0.133 108.656 108.800 -0.018 0.000 2.553 192 G HA2 0.240 4.201 3.960 0.002 0.000 0.278 192 G HA3 0.240 4.201 3.960 0.002 0.000 0.278 192 G C 0.984 175.894 174.900 0.016 0.000 1.349 192 G CA 0.506 45.608 45.100 0.003 0.000 1.037 192 G HN 0.194 nan 8.290 nan 0.000 0.508 193 T N -3.399 111.169 114.554 0.023 0.000 3.003 193 T HA 0.135 4.486 4.350 0.002 0.000 0.261 193 T C 0.251 174.974 174.700 0.039 0.000 1.003 193 T CA 0.155 62.275 62.100 0.033 0.000 0.917 193 T CB 0.449 69.334 68.868 0.028 0.000 1.084 193 T HN 0.324 nan 8.240 nan 0.000 0.522 194 D N 2.327 122.747 120.400 0.034 0.000 2.393 194 D HA 0.161 4.802 4.640 0.002 0.000 0.232 194 D C 1.080 177.407 176.300 0.045 0.000 1.192 194 D CA -0.242 53.780 54.000 0.036 0.000 0.882 194 D CB 0.880 41.695 40.800 0.025 0.000 1.038 194 D HN 0.072 nan 8.370 nan 0.000 0.499 195 E N 2.800 123.043 120.200 0.071 0.000 2.265 195 E HA -0.159 4.192 4.350 0.002 0.000 0.196 195 E C 1.243 177.922 176.600 0.133 0.000 0.996 195 E CA 0.789 57.257 56.400 0.114 0.000 0.832 195 E CB 0.226 30.012 29.700 0.143 0.000 0.756 195 E HN 0.604 nan 8.360 nan 0.000 0.491 196 K N 0.462 120.927 120.400 0.108 0.000 2.217 196 K HA -0.071 4.250 4.320 0.002 0.000 0.202 196 K C 2.074 178.697 176.600 0.038 0.000 1.051 196 K CA 0.745 57.128 56.287 0.159 0.000 0.952 196 K CB 0.062 32.624 32.500 0.104 0.000 0.736 196 K HN -0.093 nan 8.250 nan 0.000 0.453 197 K N 1.464 121.836 120.400 -0.047 0.000 2.361 197 K HA 0.030 4.352 4.320 0.002 0.000 0.196 197 K C -0.079 176.376 176.600 -0.242 0.000 1.039 197 K CA 0.200 56.372 56.287 -0.192 0.000 1.001 197 K CB 0.416 32.850 32.500 -0.110 0.000 0.795 197 K HN -0.048 nan 8.250 nan 0.000 0.495 198 K N 0.830 121.153 120.400 -0.129 0.000 2.258 198 K HA 0.137 4.458 4.320 0.002 0.000 0.264 198 K C -0.825 175.594 176.600 -0.301 0.000 1.007 198 K CA -0.371 55.770 56.287 -0.243 0.000 0.941 198 K CB 0.888 33.195 32.500 -0.322 0.000 0.966 198 K HN -0.087 nan 8.250 nan 0.000 0.480 199 L N 3.219 124.173 121.223 -0.447 0.000 2.415 199 L HA 0.283 4.624 4.340 0.002 0.000 0.268 199 L C -1.623 174.967 176.870 -0.467 0.000 0.984 199 L CA -0.365 54.270 54.840 -0.341 0.000 0.853 199 L CB 0.629 42.553 42.059 -0.225 0.000 1.215 199 L HN 0.443 nan 8.230 nan 0.000 0.419 200 Y N 3.103 123.236 120.300 -0.277 0.000 2.319 200 Y HA 0.444 4.995 4.550 0.002 0.000 0.328 200 Y C 0.524 176.278 175.900 -0.244 0.000 1.133 200 Y CA -0.050 57.828 58.100 -0.370 0.000 1.265 200 Y CB 0.932 38.788 38.460 -1.007 0.000 1.218 200 Y HN 0.493 nan 8.280 nan 0.000 0.508 201 C N 4.404 123.761 119.300 0.096 0.000 2.435 201 C HA 0.722 5.183 4.460 0.002 0.000 0.333 201 C C -0.223 174.823 174.990 0.094 0.000 1.202 201 C CA -1.128 57.948 59.018 0.097 0.000 1.830 201 C CB 0.402 28.248 27.740 0.177 0.000 2.326 201 C HN 0.635 nan 8.230 nan 0.000 0.507 202 I N 2.033 122.642 120.570 0.065 0.000 2.478 202 I HA 0.263 4.434 4.170 0.002 0.000 0.287 202 I C -1.062 175.083 176.117 0.046 0.000 1.042 202 I CA -0.314 61.024 61.300 0.063 0.000 1.067 202 I CB 1.056 39.079 38.000 0.038 0.000 1.233 202 I HN 0.631 nan 8.210 nan 0.000 0.431 203 Y N 7.188 127.465 120.300 -0.037 0.000 2.369 203 Y HA 0.629 5.180 4.550 0.001 0.000 0.337 203 Y C -0.806 175.072 175.900 -0.037 0.000 0.961 203 Y CA -0.783 57.286 58.100 -0.050 0.000 1.186 203 Y CB 1.133 39.577 38.460 -0.027 0.000 1.139 203 Y HN 0.271 nan 8.280 nan 0.000 0.494 204 V N 6.571 126.182 119.914 -0.504 0.000 2.348 204 V HA 0.587 4.708 4.120 0.002 0.000 0.270 204 V C 0.155 175.952 176.094 -0.495 0.000 1.037 204 V CA -0.648 61.452 62.300 -0.333 0.000 0.872 204 V CB 0.599 32.342 31.823 -0.132 0.000 1.002 204 V HN 0.921 nan 8.190 nan 0.000 0.464 205 A N 6.913 129.577 122.820 -0.261 0.000 2.276 205 A HA 0.825 5.146 4.320 0.002 0.000 0.300 205 A C -0.557 177.003 177.584 -0.040 0.000 1.235 205 A CA -0.258 51.709 52.037 -0.117 0.000 0.867 205 A CB -0.027 19.039 19.000 0.109 0.000 1.137 205 A HN 0.766 nan 8.150 nan 0.000 0.527 206 I N 2.036 122.588 120.570 -0.031 0.000 2.410 206 I HA 0.562 4.733 4.170 0.002 0.000 0.286 206 I C 1.079 177.217 176.117 0.036 0.000 1.009 206 I CA 0.430 61.736 61.300 0.010 0.000 1.111 206 I CB 1.843 39.845 38.000 0.003 0.000 1.262 206 I HN 0.971 nan 8.210 nan 0.000 0.443 207 G N 3.571 112.403 108.800 0.052 0.000 2.184 207 G HA2 -0.236 3.725 3.960 0.002 0.000 0.264 207 G HA3 -0.236 3.725 3.960 0.002 0.000 0.264 207 G C 0.318 175.251 174.900 0.056 0.000 0.975 207 G CA -0.192 44.944 45.100 0.059 0.000 0.642 207 G HN 0.583 nan 8.290 nan 0.000 0.536 208 Q N 0.021 119.855 119.800 0.058 0.000 2.396 208 Q HA 0.441 4.782 4.340 0.002 0.000 0.221 208 Q C 0.462 176.496 176.000 0.057 0.000 1.025 208 Q CA -0.197 55.644 55.803 0.063 0.000 0.946 208 Q CB 0.685 29.474 28.738 0.085 0.000 1.224 208 Q HN 0.331 nan 8.270 nan 0.000 0.539 209 K N 1.090 121.522 120.400 0.054 0.000 2.270 209 K HA 0.050 4.371 4.320 0.002 0.000 0.276 209 K C 0.880 177.508 176.600 0.047 0.000 1.023 209 K CA -0.031 56.283 56.287 0.046 0.000 0.955 209 K CB 0.720 33.244 32.500 0.039 0.000 0.975 209 K HN 0.484 nan 8.250 nan 0.000 0.471 210 R N 1.388 121.913 120.500 0.041 0.000 2.105 210 R HA -0.183 4.158 4.340 0.002 0.000 0.239 210 R C 2.156 178.475 176.300 0.032 0.000 1.135 210 R CA 2.252 58.375 56.100 0.038 0.000 0.967 210 R CB -0.069 30.250 30.300 0.032 0.000 0.861 210 R HN 0.806 nan 8.270 nan 0.000 0.442 211 S N -0.962 114.755 115.700 0.027 0.000 2.368 211 S HA -0.136 4.335 4.470 0.002 0.000 0.225 211 S C 1.890 176.502 174.600 0.020 0.000 1.030 211 S CA 1.698 59.910 58.200 0.020 0.000 0.999 211 S CB -0.583 62.629 63.200 0.019 0.000 0.844 211 S HN 0.299 nan 8.310 nan 0.000 0.459 212 T N 2.508 117.081 114.554 0.031 0.000 2.708 212 T HA -0.037 4.314 4.350 0.002 0.000 0.266 212 T C 1.948 176.666 174.700 0.029 0.000 1.037 212 T CA 1.531 63.651 62.100 0.034 0.000 1.146 212 T CB -0.659 68.240 68.868 0.051 0.000 0.865 212 T HN 0.326 nan 8.240 nan 0.000 0.435 213 V N 1.856 121.798 119.914 0.047 0.000 2.343 213 V HA -0.143 3.978 4.120 0.002 0.000 0.247 213 V C 2.940 179.037 176.094 0.005 0.000 1.051 213 V CA 1.568 63.897 62.300 0.049 0.000 1.036 213 V CB -1.365 30.510 31.823 0.087 0.000 0.654 213 V HN 0.524 nan 8.190 nan 0.000 0.451 214 A N -0.522 122.302 122.820 0.006 0.000 1.883 214 A HA -0.328 3.993 4.320 0.002 0.000 0.217 214 A C 2.203 179.770 177.584 -0.029 0.000 1.186 214 A CA 2.215 54.246 52.037 -0.009 0.000 0.624 214 A CB -0.573 18.425 19.000 -0.003 0.000 0.822 214 A HN 0.611 nan 8.150 nan 0.000 0.444 215 Q N -1.008 118.776 119.800 -0.025 0.000 2.170 215 Q HA -0.086 4.255 4.340 0.002 0.000 0.203 215 Q C 2.081 178.041 176.000 -0.068 0.000 0.976 215 Q CA 1.010 56.790 55.803 -0.039 0.000 0.858 215 Q CB -0.205 28.521 28.738 -0.020 0.000 0.907 215 Q HN 0.580 nan 8.270 nan 0.000 0.433 216 L N 0.371 121.548 121.223 -0.077 0.000 1.994 216 L HA -0.130 4.211 4.340 0.002 0.000 0.208 216 L C 2.326 179.105 176.870 -0.152 0.000 1.071 216 L CA 1.657 56.413 54.840 -0.139 0.000 0.745 216 L CB -1.031 40.905 42.059 -0.206 0.000 0.892 216 L HN 0.241 nan 8.230 nan 0.000 0.431 217 V N -0.037 119.807 119.914 -0.116 0.000 2.407 217 V HA -0.281 3.840 4.120 0.002 0.000 0.248 217 V C 2.690 178.723 176.094 -0.101 0.000 1.055 217 V CA 2.208 64.446 62.300 -0.103 0.000 1.049 217 V CB -0.505 31.280 31.823 -0.063 0.000 0.662 217 V HN 0.522 nan 8.190 nan 0.000 0.455 218 K N -0.106 120.240 120.400 -0.090 0.000 2.032 218 K HA -0.290 4.031 4.320 0.002 0.000 0.209 218 K C 2.405 178.930 176.600 -0.124 0.000 1.048 218 K CA 2.201 58.433 56.287 -0.092 0.000 0.927 218 K CB -0.293 32.160 32.500 -0.078 0.000 0.712 218 K HN 0.456 nan 8.250 nan 0.000 0.441 219 R N 1.121 121.531 120.500 -0.150 0.000 2.073 219 R HA -0.052 4.289 4.340 0.002 0.000 0.234 219 R C 2.301 178.491 176.300 -0.182 0.000 1.134 219 R CA 1.419 57.394 56.100 -0.209 0.000 0.952 219 R CB -0.636 29.524 30.300 -0.234 0.000 0.850 219 R HN 0.252 nan 8.270 nan 0.000 0.433 220 L N -0.476 120.652 121.223 -0.159 0.000 2.046 220 L HA -0.165 4.176 4.340 0.002 0.000 0.208 220 L C 2.186 178.963 176.870 -0.156 0.000 1.077 220 L CA 1.928 56.673 54.840 -0.158 0.000 0.747 220 L CB -0.743 41.212 42.059 -0.173 0.000 0.896 220 L HN 0.315 nan 8.230 nan 0.000 0.432 221 T N -1.023 113.450 114.554 -0.135 0.000 2.708 221 T HA -0.182 4.169 4.350 0.002 0.000 0.266 221 T C 1.454 176.092 174.700 -0.103 0.000 1.037 221 T CA 1.484 63.516 62.100 -0.113 0.000 1.146 221 T CB -0.275 68.540 68.868 -0.089 0.000 0.865 221 T HN 0.294 nan 8.240 nan 0.000 0.435 222 D N 1.510 121.844 120.400 -0.110 0.000 2.182 222 D HA -0.014 4.628 4.640 0.002 0.000 0.201 222 D C 1.946 178.189 176.300 -0.095 0.000 0.986 222 D CA 1.050 54.988 54.000 -0.103 0.000 0.847 222 D CB -0.282 40.443 40.800 -0.126 0.000 0.942 222 D HN 0.451 nan 8.370 nan 0.000 0.467 223 A N 0.123 122.880 122.820 -0.105 0.000 2.278 223 A HA 0.046 4.367 4.320 0.002 0.000 0.212 223 A C 0.436 177.981 177.584 -0.065 0.000 1.213 223 A CA 0.314 52.305 52.037 -0.077 0.000 0.840 223 A CB 0.033 18.992 19.000 -0.068 0.000 0.866 223 A HN 0.032 nan 8.150 nan 0.000 0.489 224 D N -2.683 117.666 120.400 -0.085 0.000 2.772 224 D HA -0.214 4.427 4.640 0.002 0.000 0.233 224 D C 0.762 176.970 176.300 -0.153 0.000 1.143 224 D CA 1.066 55.016 54.000 -0.084 0.000 0.700 224 D CB -1.174 39.608 40.800 -0.031 0.000 1.076 224 D HN 0.525 nan 8.370 nan 0.000 0.430 225 A N -0.940 121.711 122.820 -0.282 0.000 2.229 225 A HA 0.189 4.510 4.320 0.002 0.000 0.211 225 A C 1.850 178.937 177.584 -0.828 0.000 1.193 225 A CA 0.779 52.410 52.037 -0.677 0.000 0.879 225 A CB -0.022 18.769 19.000 -0.348 0.000 0.911 225 A HN 0.275 nan 8.150 nan 0.000 0.492 226 M N 1.405 120.760 119.600 -0.408 0.000 2.213 226 M HA -0.117 4.364 4.480 0.002 0.000 0.263 226 M C 1.955 178.116 176.300 -0.231 0.000 1.062 226 M CA 1.927 57.063 55.300 -0.272 0.000 1.105 226 M CB -0.514 31.993 32.600 -0.156 0.000 1.385 226 M HN 0.507 nan 8.290 nan 0.000 0.417 227 K N -0.487 119.777 120.400 -0.226 0.000 2.280 227 K HA -0.178 4.143 4.320 0.002 0.000 0.202 227 K C 0.640 177.277 176.600 0.060 0.000 1.047 227 K CA 1.647 57.900 56.287 -0.058 0.000 0.942 227 K CB -0.747 31.755 32.500 0.004 0.000 0.739 227 K HN 0.592 nan 8.250 nan 0.000 0.457 228 Y N -0.244 120.100 120.300 0.074 0.000 2.681 228 Y HA 0.466 5.018 4.550 0.002 0.000 0.267 228 Y C -0.614 175.345 175.900 0.099 0.000 1.166 228 Y CA -1.100 57.075 58.100 0.124 0.000 1.209 228 Y CB -0.023 38.462 38.460 0.042 0.000 1.161 228 Y HN -0.213 nan 8.280 nan 0.000 0.534 229 T N 2.483 117.062 114.554 0.040 0.000 2.841 229 T HA 0.605 4.956 4.350 0.002 0.000 0.283 229 T C -0.597 174.145 174.700 0.070 0.000 1.000 229 T CA -0.442 61.688 62.100 0.052 0.000 0.977 229 T CB 1.912 70.742 68.868 -0.063 0.000 0.979 229 T HN 0.146 nan 8.240 nan 0.000 0.446 230 I N 2.422 123.054 120.570 0.104 0.000 2.354 230 I HA 0.450 4.621 4.170 0.002 0.000 0.292 230 I C -0.500 175.676 176.117 0.097 0.000 0.989 230 I CA -1.036 60.322 61.300 0.097 0.000 1.188 230 I CB 1.690 39.764 38.000 0.123 0.000 1.342 230 I HN 0.241 nan 8.210 nan 0.000 0.457 231 V N 7.309 127.274 119.914 0.085 0.000 2.370 231 V HA 0.322 4.443 4.120 0.002 0.000 0.283 231 V C 0.020 176.164 176.094 0.083 0.000 1.023 231 V CA -0.642 61.730 62.300 0.120 0.000 0.857 231 V CB 1.735 33.629 31.823 0.119 0.000 0.985 231 V HN 0.398 nan 8.190 nan 0.000 0.443 232 V N 4.159 124.115 119.914 0.070 0.000 2.370 232 V HA 0.541 4.662 4.120 0.002 0.000 0.283 232 V C 0.177 176.292 176.094 0.035 0.000 1.023 232 V CA -0.124 62.197 62.300 0.035 0.000 0.857 232 V CB 1.657 33.487 31.823 0.012 0.000 0.985 232 V HN 0.836 nan 8.190 nan 0.000 0.443 233 S N 3.749 119.472 115.700 0.038 0.000 2.605 233 S HA 0.794 5.266 4.470 0.002 0.000 0.308 233 S C -0.400 174.223 174.600 0.038 0.000 1.113 233 S CA -0.182 58.046 58.200 0.047 0.000 1.049 233 S CB 1.243 64.483 63.200 0.066 0.000 1.001 233 S HN 1.094 nan 8.310 nan 0.000 0.480 234 A N 4.151 126.994 122.820 0.038 0.000 2.483 234 A HA 0.639 4.960 4.320 0.002 0.000 0.308 234 A C 0.321 177.938 177.584 0.055 0.000 1.291 234 A CA -0.647 51.420 52.037 0.050 0.000 0.774 234 A CB 0.262 19.295 19.000 0.055 0.000 1.134 234 A HN 0.822 nan 8.150 nan 0.000 0.471 235 T N -0.949 113.639 114.554 0.056 0.000 2.849 235 T HA 0.582 4.933 4.350 0.002 0.000 0.276 235 T C 1.587 176.321 174.700 0.056 0.000 0.971 235 T CA 0.041 62.174 62.100 0.055 0.000 0.949 235 T CB 1.064 69.963 68.868 0.052 0.000 1.093 235 T HN 1.115 nan 8.240 nan 0.000 0.545 236 A N 0.758 123.610 122.820 0.052 0.000 1.986 236 A HA -0.083 4.238 4.320 0.002 0.000 0.220 236 A C 2.419 180.030 177.584 0.047 0.000 1.171 236 A CA 2.140 54.206 52.037 0.050 0.000 0.640 236 A CB -1.374 17.652 19.000 0.044 0.000 0.811 236 A HN 1.109 nan 8.150 nan 0.000 0.451 237 S N -0.877 114.849 115.700 0.043 0.000 2.575 237 S HA 0.092 4.563 4.470 0.002 0.000 0.215 237 S C -0.086 174.541 174.600 0.044 0.000 0.966 237 S CA -0.234 57.989 58.200 0.039 0.000 0.911 237 S CB -0.176 63.044 63.200 0.033 0.000 0.780 237 S HN 0.378 nan 8.310 nan 0.000 0.514 238 D N 2.850 123.283 120.400 0.054 0.000 2.345 238 D HA 0.537 5.178 4.640 0.002 0.000 0.247 238 D C 0.336 176.681 176.300 0.076 0.000 1.108 238 D CA 0.114 54.153 54.000 0.065 0.000 0.894 238 D CB 1.402 42.246 40.800 0.073 0.000 1.203 238 D HN 0.433 nan 8.370 nan 0.000 0.430 239 A N 1.671 124.540 122.820 0.081 0.000 2.561 239 A HA 0.286 4.607 4.320 0.002 0.000 0.234 239 A C 1.480 179.135 177.584 0.118 0.000 1.055 239 A CA 0.483 52.569 52.037 0.083 0.000 0.756 239 A CB 0.180 19.227 19.000 0.078 0.000 0.986 239 A HN 0.649 nan 8.150 nan 0.000 0.505 240 A N 3.501 126.382 122.820 0.102 0.000 1.927 240 A HA -0.103 4.218 4.320 0.002 0.000 0.220 240 A C -0.130 177.587 177.584 0.220 0.000 1.185 240 A CA 2.197 54.314 52.037 0.134 0.000 0.639 240 A CB -1.706 17.346 19.000 0.087 0.000 0.820 240 A HN 0.656 nan 8.150 nan 0.000 0.451 241 P HA -0.103 nan 4.420 nan 0.000 0.220 241 P C 1.342 178.986 177.300 0.573 0.000 1.148 241 P CA 0.760 64.094 63.100 0.389 0.000 0.803 241 P CB -0.106 31.716 31.700 0.204 0.000 0.782 242 L N -0.997 120.466 121.223 0.400 0.000 2.109 242 L HA -0.166 4.175 4.340 0.002 0.000 0.207 242 L C 2.589 179.573 176.870 0.191 0.000 1.086 242 L CA 1.444 56.447 54.840 0.272 0.000 0.760 242 L CB -0.834 41.337 42.059 0.186 0.000 0.910 242 L HN 0.005 nan 8.230 nan 0.000 0.437 243 Q N -1.057 118.864 119.800 0.202 0.000 2.079 243 Q HA -0.248 4.093 4.340 0.002 0.000 0.200 243 Q C 2.109 178.229 176.000 0.200 0.000 0.974 243 Q CA 1.752 57.653 55.803 0.162 0.000 0.840 243 Q CB -0.333 28.497 28.738 0.153 0.000 0.898 243 Q HN 0.482 nan 8.270 nan 0.000 0.430 244 Y N 1.545 121.951 120.300 0.176 0.000 2.128 244 Y HA -0.271 4.279 4.550 -0.000 0.000 0.284 244 Y C 1.991 178.044 175.900 0.255 0.000 1.154 244 Y CA 1.387 59.621 58.100 0.224 0.000 1.149 244 Y CB -0.329 38.312 38.460 0.303 0.000 0.976 244 Y HN 0.112 nan 8.280 nan 0.000 0.505 245 L N 0.916 122.188 121.223 0.081 0.000 2.072 245 L HA 0.035 4.377 4.340 0.002 0.000 0.205 245 L C 2.527 179.368 176.870 -0.049 0.000 1.079 245 L CA 1.965 56.772 54.840 -0.055 0.000 0.752 245 L CB -1.493 40.502 42.059 -0.107 0.000 0.906 245 L HN 0.295 nan 8.230 nan 0.000 0.436 246 A N 0.402 123.197 122.820 -0.041 0.000 1.896 246 A HA -0.226 4.095 4.320 0.002 0.000 0.220 246 A C 0.144 177.680 177.584 -0.081 0.000 1.206 246 A CA 2.498 54.505 52.037 -0.049 0.000 0.647 246 A CB -2.256 16.733 19.000 -0.018 0.000 0.828 246 A HN 0.461 nan 8.150 nan 0.000 0.455 247 P HA -0.155 nan 4.420 nan 0.000 0.215 247 P C 0.968 178.090 177.300 -0.296 0.000 1.153 247 P CA 1.406 64.337 63.100 -0.281 0.000 0.853 247 P CB -0.241 31.003 31.700 -0.760 0.000 0.788 248 Y N -0.561 119.635 120.300 -0.174 0.000 2.242 248 Y HA -0.130 4.421 4.550 0.000 0.000 0.291 248 Y C 2.641 178.491 175.900 -0.083 0.000 1.137 248 Y CA 1.265 59.270 58.100 -0.159 0.000 1.181 248 Y CB -1.187 37.122 38.460 -0.251 0.000 0.989 248 Y HN -0.083 nan 8.280 nan 0.000 0.527 249 S N -0.079 115.647 115.700 0.043 0.000 2.356 249 S HA -0.170 4.301 4.470 0.002 0.000 0.223 249 S C 2.411 177.030 174.600 0.031 0.000 1.032 249 S CA 1.240 59.445 58.200 0.009 0.000 1.005 249 S CB -1.025 62.153 63.200 -0.036 0.000 0.867 249 S HN 0.663 nan 8.310 nan 0.000 0.449 250 G N 0.137 108.960 108.800 0.039 0.000 2.418 250 G HA2 -0.271 3.691 3.960 0.002 0.000 0.217 250 G HA3 -0.271 3.691 3.960 0.002 0.000 0.217 250 G C 1.740 176.694 174.900 0.090 0.000 1.158 250 G CA 1.074 46.209 45.100 0.057 0.000 0.771 250 G HN 0.587 nan 8.290 nan 0.000 0.545 251 C N 0.730 120.108 119.300 0.132 0.000 2.432 251 C HA -0.037 4.424 4.460 0.002 0.000 0.277 251 C C 3.287 178.346 174.990 0.115 0.000 1.249 251 C CA 1.779 60.886 59.018 0.149 0.000 1.725 251 C CB -0.983 26.851 27.740 0.158 0.000 2.028 251 C HN 0.372 nan 8.230 nan 0.000 0.477 252 S N 0.656 116.411 115.700 0.092 0.000 2.383 252 S HA -0.200 4.271 4.470 0.002 0.000 0.229 252 S C 1.717 176.370 174.600 0.087 0.000 1.030 252 S CA 2.124 60.370 58.200 0.075 0.000 1.002 252 S CB -0.419 62.808 63.200 0.045 0.000 0.829 252 S HN 0.672 nan 8.310 nan 0.000 0.467 253 M N 1.010 120.663 119.600 0.088 0.000 2.159 253 M HA -0.042 4.439 4.480 0.002 0.000 0.263 253 M C 2.470 178.922 176.300 0.254 0.000 1.063 253 M CA 1.436 56.803 55.300 0.111 0.000 1.110 253 M CB -0.776 31.884 32.600 0.099 0.000 1.374 253 M HN 0.459 nan 8.290 nan 0.000 0.411 254 G N 0.058 109.007 108.800 0.249 0.000 2.402 254 G HA2 -0.176 3.785 3.960 0.002 0.000 0.216 254 G HA3 -0.176 3.785 3.960 0.002 0.000 0.216 254 G C 1.324 176.392 174.900 0.280 0.000 1.162 254 G CA 0.596 45.887 45.100 0.318 0.000 0.777 254 G HN 0.479 nan 8.290 nan 0.000 0.539 255 E N -0.541 119.761 120.200 0.169 0.000 2.204 255 E HA -0.172 4.179 4.350 0.002 0.000 0.195 255 E C 1.953 178.590 176.600 0.062 0.000 0.990 255 E CA 0.796 57.259 56.400 0.105 0.000 0.821 255 E CB -0.264 29.483 29.700 0.078 0.000 0.750 255 E HN 0.620 nan 8.360 nan 0.000 0.477 256 Y N 0.629 120.892 120.300 -0.061 0.000 2.114 256 Y HA -0.313 4.239 4.550 0.003 0.000 0.282 256 Y C 1.679 177.423 175.900 -0.259 0.000 1.165 256 Y CA 1.763 59.732 58.100 -0.218 0.000 1.148 256 Y CB -0.469 37.755 38.460 -0.393 0.000 0.972 256 Y HN -0.046 nan 8.280 nan 0.000 0.504 257 F N 0.079 119.911 119.950 -0.195 0.000 2.113 257 F HA -0.089 4.439 4.527 0.001 0.000 0.297 257 F C 2.820 178.489 175.800 -0.218 0.000 1.103 257 F CA 1.698 59.537 58.000 -0.268 0.000 1.248 257 F CB -0.703 38.283 39.000 -0.022 0.000 0.999 257 F HN -0.107 nan 8.300 nan 0.000 0.475 258 R N 0.711 121.255 120.500 0.074 0.000 2.096 258 R HA -0.206 4.135 4.340 0.002 0.000 0.240 258 R C 1.264 177.530 176.300 -0.055 0.000 1.139 258 R CA 2.292 58.395 56.100 0.004 0.000 0.952 258 R CB -0.461 29.862 30.300 0.039 0.000 0.854 258 R HN 0.189 nan 8.270 nan 0.000 0.436 259 D N -0.522 119.831 120.400 -0.078 0.000 2.355 259 D HA -0.054 4.587 4.640 0.002 0.000 0.218 259 D C 0.579 176.795 176.300 -0.140 0.000 1.004 259 D CA 0.556 54.517 54.000 -0.065 0.000 0.880 259 D CB -0.136 40.647 40.800 -0.028 0.000 0.911 259 D HN 0.194 nan 8.370 nan 0.000 0.528 260 N N -0.021 118.521 118.700 -0.263 0.000 2.276 260 N HA 0.111 4.852 4.740 0.002 0.000 0.212 260 N C 0.911 176.313 175.510 -0.179 0.000 1.127 260 N CA 0.389 53.262 53.050 -0.294 0.000 0.834 260 N CB 0.209 38.342 38.487 -0.591 0.000 1.014 260 N HN 0.069 nan 8.380 nan 0.000 0.491 261 G N 0.241 108.957 108.800 -0.140 0.000 2.153 261 G HA2 -0.300 3.661 3.960 0.002 0.000 0.252 261 G HA3 -0.300 3.661 3.960 0.002 0.000 0.252 261 G C 0.062 174.848 174.900 -0.190 0.000 0.994 261 G CA 0.618 45.641 45.100 -0.128 0.000 0.698 261 G HN 0.436 nan 8.290 nan 0.000 0.521 262 K N -0.781 119.500 120.400 -0.199 0.000 2.312 262 K HA 0.691 5.012 4.320 0.002 0.000 0.236 262 K C -0.489 175.906 176.600 -0.342 0.000 1.079 262 K CA -1.034 55.155 56.287 -0.164 0.000 0.900 262 K CB 1.163 33.766 32.500 0.171 0.000 1.297 262 K HN 0.291 nan 8.250 nan 0.000 0.498 263 H N -0.391 118.766 119.070 0.146 0.000 2.547 263 H HA 0.517 5.074 4.556 0.002 0.000 0.342 263 H C -1.059 174.290 175.328 0.035 0.000 1.048 263 H CA -0.734 55.350 56.048 0.059 0.000 1.204 263 H CB 1.952 31.696 29.762 -0.029 0.000 1.493 263 H HN 0.675 nan 8.280 nan 0.000 0.511 264 A N 2.964 125.858 122.820 0.124 0.000 2.380 264 A HA 0.588 4.910 4.320 0.002 0.000 0.315 264 A C -1.229 176.369 177.584 0.023 0.000 1.101 264 A CA -0.711 51.342 52.037 0.026 0.000 0.771 264 A CB 1.843 20.895 19.000 0.087 0.000 1.287 264 A HN 0.481 nan 8.150 nan 0.000 0.436 265 L N 1.699 122.916 121.223 -0.011 0.000 2.356 265 L HA 0.813 5.154 4.340 0.002 0.000 0.277 265 L C -1.119 175.720 176.870 -0.052 0.000 0.996 265 L CA -0.392 54.433 54.840 -0.025 0.000 0.822 265 L CB 1.329 43.376 42.059 -0.019 0.000 1.256 265 L HN 0.694 nan 8.230 nan 0.000 0.413 266 I N 5.187 125.680 120.570 -0.128 0.000 2.509 266 I HA 0.572 4.743 4.170 0.002 0.000 0.293 266 I C -1.237 174.627 176.117 -0.422 0.000 1.020 266 I CA -0.569 60.561 61.300 -0.284 0.000 1.088 266 I CB 1.579 39.340 38.000 -0.397 0.000 1.267 266 I HN 0.650 nan 8.210 nan 0.000 0.430 267 I N 7.524 127.841 120.570 -0.422 0.000 2.406 267 I HA 0.280 4.451 4.170 0.002 0.000 0.290 267 I C -1.279 174.495 176.117 -0.572 0.000 0.999 267 I CA -0.317 60.755 61.300 -0.380 0.000 1.124 267 I CB 1.348 39.285 38.000 -0.106 0.000 1.289 267 I HN 0.403 nan 8.210 nan 0.000 0.441 268 Y N 4.145 124.325 120.300 -0.200 0.000 2.504 268 Y HA 0.338 4.889 4.550 0.001 0.000 0.339 268 Y C -0.087 175.673 175.900 -0.232 0.000 0.974 268 Y CA -0.684 57.269 58.100 -0.245 0.000 1.232 268 Y CB 0.715 39.035 38.460 -0.233 0.000 1.108 268 Y HN 0.412 nan 8.280 nan 0.000 0.509 269 D N 3.917 124.206 120.400 -0.185 0.000 2.458 269 D HA 0.179 4.820 4.640 0.002 0.000 0.258 269 D C -1.319 174.934 176.300 -0.078 0.000 1.134 269 D CA -0.394 53.524 54.000 -0.137 0.000 0.915 269 D CB 0.263 40.948 40.800 -0.192 0.000 1.028 269 D HN 0.705 nan 8.370 nan 0.000 0.508 270 D N 0.089 120.472 120.400 -0.028 0.000 2.552 270 D HA 0.228 4.869 4.640 0.002 0.000 0.239 270 D C 0.891 177.170 176.300 -0.035 0.000 1.139 270 D CA -0.744 53.241 54.000 -0.025 0.000 0.914 270 D CB 1.118 41.916 40.800 -0.005 0.000 1.461 270 D HN 0.041 nan 8.370 nan 0.000 0.462 271 L N 0.331 121.498 121.223 -0.094 0.000 2.376 271 L HA -0.039 4.302 4.340 0.002 0.000 0.219 271 L C 1.759 178.619 176.870 -0.017 0.000 1.133 271 L CA 0.586 55.321 54.840 -0.175 0.000 0.816 271 L CB -0.382 41.339 42.059 -0.563 0.000 0.933 271 L HN 0.442 nan 8.230 nan 0.000 0.449 272 S N 0.191 115.897 115.700 0.010 0.000 2.356 272 S HA -0.168 4.304 4.470 0.002 0.000 0.223 272 S C 1.932 176.609 174.600 0.128 0.000 1.032 272 S CA 1.267 59.516 58.200 0.082 0.000 1.005 272 S CB -0.056 63.185 63.200 0.069 0.000 0.867 272 S HN 0.396 nan 8.310 nan 0.000 0.449 273 K N 1.028 121.486 120.400 0.097 0.000 2.148 273 K HA -0.058 4.263 4.320 0.002 0.000 0.204 273 K C 2.449 179.132 176.600 0.138 0.000 1.050 273 K CA 0.787 57.139 56.287 0.109 0.000 0.942 273 K CB -0.144 32.403 32.500 0.078 0.000 0.724 273 K HN 0.331 nan 8.250 nan 0.000 0.446 274 Q N 0.780 120.657 119.800 0.129 0.000 2.084 274 Q HA -0.167 4.174 4.340 0.002 0.000 0.202 274 Q C 2.064 178.211 176.000 0.246 0.000 0.978 274 Q CA 1.650 57.553 55.803 0.167 0.000 0.844 274 Q CB -0.089 28.710 28.738 0.102 0.000 0.898 274 Q HN 0.326 nan 8.270 nan 0.000 0.426 275 A N 0.000 122.973 122.820 0.255 0.000 1.933 275 A HA -0.129 4.192 4.320 0.002 0.000 0.218 275 A C 2.233 180.061 177.584 0.407 0.000 1.175 275 A CA 1.475 53.667 52.037 0.258 0.000 0.628 275 A CB -0.669 18.402 19.000 0.119 0.000 0.814 275 A HN 0.297 nan 8.150 nan 0.000 0.444 276 V N -0.212 119.906 119.914 0.339 0.000 2.343 276 V HA -0.254 3.867 4.120 0.002 0.000 0.247 276 V C 3.065 179.270 176.094 0.184 0.000 1.051 276 V CA 1.938 64.391 62.300 0.256 0.000 1.036 276 V CB -1.173 30.757 31.823 0.179 0.000 0.654 276 V HN 0.623 nan 8.190 nan 0.000 0.451 277 A N -1.047 121.893 122.820 0.199 0.000 1.908 277 A HA -0.285 4.036 4.320 0.002 0.000 0.218 277 A C 2.173 179.878 177.584 0.202 0.000 1.181 277 A CA 2.180 54.328 52.037 0.185 0.000 0.627 277 A CB -0.781 18.350 19.000 0.219 0.000 0.818 277 A HN 0.618 nan 8.150 nan 0.000 0.445 278 Y N 0.246 120.625 120.300 0.132 0.000 2.242 278 Y HA -0.144 4.406 4.550 0.001 0.000 0.291 278 Y C 2.508 178.435 175.900 0.045 0.000 1.137 278 Y CA 1.846 59.986 58.100 0.066 0.000 1.181 278 Y CB -0.373 38.159 38.460 0.121 0.000 0.989 278 Y HN 0.336 nan 8.280 nan 0.000 0.527 279 R N 0.265 120.822 120.500 0.096 0.000 2.091 279 R HA -0.249 4.092 4.340 0.002 0.000 0.238 279 R C 2.433 178.668 176.300 -0.109 0.000 1.136 279 R CA 1.896 57.981 56.100 -0.026 0.000 0.959 279 R CB -0.389 29.897 30.300 -0.024 0.000 0.856 279 R HN 0.551 nan 8.270 nan 0.000 0.437 280 Q N 0.337 120.102 119.800 -0.059 0.000 2.030 280 Q HA -0.236 4.105 4.340 0.002 0.000 0.204 280 Q C 2.098 178.029 176.000 -0.116 0.000 0.986 280 Q CA 2.307 58.070 55.803 -0.067 0.000 0.843 280 Q CB -0.114 28.611 28.738 -0.020 0.000 0.904 280 Q HN 0.419 nan 8.270 nan 0.000 0.420 281 M N -0.071 119.435 119.600 -0.156 0.000 2.080 281 M HA -0.184 4.297 4.480 0.002 0.000 0.260 281 M C 2.380 178.514 176.300 -0.276 0.000 1.068 281 M CA 1.792 56.961 55.300 -0.219 0.000 1.109 281 M CB -0.128 32.300 32.600 -0.286 0.000 1.342 281 M HN 0.140 nan 8.290 nan 0.000 0.405 282 S N 0.680 116.143 115.700 -0.394 0.000 2.368 282 S HA -0.032 4.439 4.470 0.002 0.000 0.224 282 S C 1.871 176.359 174.600 -0.187 0.000 1.029 282 S CA 1.076 59.066 58.200 -0.350 0.000 0.988 282 S CB -0.394 62.542 63.200 -0.439 0.000 0.838 282 S HN 0.379 nan 8.310 nan 0.000 0.462 283 L N 1.026 122.157 121.223 -0.152 0.000 2.093 283 L HA -0.009 4.332 4.340 0.002 0.000 0.208 283 L C 2.111 178.929 176.870 -0.087 0.000 1.085 283 L CA 0.842 55.622 54.840 -0.101 0.000 0.755 283 L CB -0.521 41.484 42.059 -0.090 0.000 0.904 283 L HN 0.278 nan 8.230 nan 0.000 0.435 284 L N -0.556 120.609 121.223 -0.096 0.000 2.201 284 L HA -0.177 4.164 4.340 0.002 0.000 0.212 284 L C 2.190 179.014 176.870 -0.077 0.000 1.105 284 L CA 0.929 55.722 54.840 -0.079 0.000 0.775 284 L CB -0.259 41.753 42.059 -0.079 0.000 0.913 284 L HN 0.298 nan 8.230 nan 0.000 0.440 285 L N -0.367 120.798 121.223 -0.097 0.000 2.599 285 L HA 0.022 4.363 4.340 0.002 0.000 0.230 285 L C 0.709 177.541 176.870 -0.063 0.000 1.141 285 L CA 0.188 54.979 54.840 -0.082 0.000 0.877 285 L CB -0.174 41.823 42.059 -0.103 0.000 1.009 285 L HN 0.277 nan 8.230 nan 0.000 0.447 286 R N -0.274 120.189 120.500 -0.062 0.000 3.651 286 R HA -0.177 4.164 4.340 0.002 0.000 0.292 286 R C -0.091 176.186 176.300 -0.039 0.000 1.161 286 R CA 0.346 56.419 56.100 -0.046 0.000 0.787 286 R CB -2.085 28.194 30.300 -0.035 0.000 1.249 286 R HN 0.377 nan 8.270 nan 0.000 0.476 287 R N 1.304 121.774 120.500 -0.050 0.000 2.490 287 R HA 0.193 4.534 4.340 0.002 0.000 0.280 287 R C -2.059 174.229 176.300 -0.021 0.000 1.077 287 R CA -1.671 54.409 56.100 -0.033 0.000 1.065 287 R CB 0.353 30.626 30.300 -0.046 0.000 1.003 287 R HN -0.101 nan 8.270 nan 0.000 0.470 288 P HA 0.085 nan 4.420 nan 0.000 0.271 288 P C -2.324 174.986 177.300 0.016 0.000 1.233 288 P CA -0.969 62.133 63.100 0.003 0.000 0.764 288 P CB 0.208 31.914 31.700 0.009 0.000 0.825 289 P HA 0.367 nan 4.420 nan 0.000 0.279 289 P C 0.216 177.534 177.300 0.030 0.000 1.252 289 P CA -0.180 62.934 63.100 0.024 0.000 0.811 289 P CB 1.387 33.083 31.700 -0.007 0.000 1.035 290 G N 0.690 109.524 108.800 0.057 0.000 3.392 290 G HA2 0.287 4.248 3.960 0.002 0.000 0.185 290 G HA3 0.287 4.248 3.960 0.002 0.000 0.185 290 G C -0.536 174.360 174.900 -0.007 0.000 1.206 290 G CA -0.774 44.335 45.100 0.014 0.000 0.776 290 G HN 0.374 nan 8.290 nan 0.000 0.697 291 R N 1.269 121.705 120.500 -0.105 0.000 2.504 291 R HA 0.155 4.496 4.340 0.002 0.000 0.291 291 R C 0.000 176.379 176.300 0.131 0.000 0.974 291 R CA 0.772 56.797 56.100 -0.125 0.000 1.077 291 R CB -0.128 29.838 30.300 -0.556 0.000 0.926 291 R HN 0.674 nan 8.270 nan 0.000 0.407 292 E N 2.157 122.415 120.200 0.096 0.000 2.539 292 E HA -0.346 4.005 4.350 0.002 0.000 0.253 292 E C 0.301 176.847 176.600 -0.091 0.000 1.145 292 E CA 0.424 56.872 56.400 0.080 0.000 0.738 292 E CB -1.058 28.802 29.700 0.267 0.000 1.308 292 E HN 0.892 nan 8.360 nan 0.000 0.409 293 A N -2.166 120.628 122.820 -0.043 0.000 2.945 293 A HA -0.312 4.009 4.320 0.002 0.000 0.263 293 A C 0.115 177.645 177.584 -0.090 0.000 1.293 293 A CA 1.795 53.781 52.037 -0.084 0.000 0.944 293 A CB -2.187 16.735 19.000 -0.129 0.000 1.093 293 A HN 0.477 nan 8.150 nan 0.000 0.786 294 Y N 0.520 120.899 120.300 0.131 0.000 2.379 294 Y HA 0.419 4.970 4.550 0.001 0.000 0.337 294 Y C -1.162 174.837 175.900 0.166 0.000 1.238 294 Y CA -1.080 57.127 58.100 0.179 0.000 1.405 294 Y CB 0.431 39.081 38.460 0.317 0.000 1.310 294 Y HN 0.262 nan 8.280 nan 0.000 0.569 295 P HA 0.044 nan 4.420 nan 0.000 0.276 295 P C 0.439 177.913 177.300 0.290 0.000 1.252 295 P CA -0.146 63.088 63.100 0.223 0.000 0.802 295 P CB 0.948 32.738 31.700 0.150 0.000 1.035 296 G N 1.140 110.074 108.800 0.224 0.000 2.509 296 G HA2 -0.189 3.772 3.960 0.002 0.000 0.218 296 G HA3 -0.189 3.772 3.960 0.002 0.000 0.218 296 G C 0.660 175.715 174.900 0.258 0.000 1.124 296 G CA 0.465 45.702 45.100 0.230 0.000 0.776 296 G HN 0.623 nan 8.290 nan 0.000 0.547 297 D N 0.177 120.745 120.400 0.279 0.000 2.358 297 D HA 0.080 4.721 4.640 0.002 0.000 0.224 297 D C 1.784 178.243 176.300 0.264 0.000 1.123 297 D CA -0.360 53.829 54.000 0.315 0.000 0.833 297 D CB 0.107 41.117 40.800 0.350 0.000 0.946 297 D HN 0.103 nan 8.370 nan 0.000 0.505 298 V N -0.102 119.945 119.914 0.222 0.000 2.515 298 V HA -0.126 3.995 4.120 0.002 0.000 0.250 298 V C 1.814 177.819 176.094 -0.150 0.000 1.058 298 V CA 1.205 63.517 62.300 0.020 0.000 1.064 298 V CB -0.707 31.107 31.823 -0.014 0.000 0.675 298 V HN 0.225 nan 8.190 nan 0.000 0.461 299 F N 0.207 120.086 119.950 -0.117 0.000 2.102 299 F HA -0.227 4.301 4.527 0.002 0.000 0.298 299 F C 2.182 177.992 175.800 0.017 0.000 1.105 299 F CA 2.428 60.382 58.000 -0.077 0.000 1.239 299 F CB -0.755 38.244 39.000 -0.001 0.000 0.991 299 F HN 0.346 nan 8.300 nan 0.000 0.474 300 Y N 0.820 121.036 120.300 -0.140 0.000 2.274 300 Y HA -0.181 4.370 4.550 0.002 0.000 0.290 300 Y C 2.150 177.903 175.900 -0.245 0.000 1.145 300 Y CA 1.533 59.507 58.100 -0.210 0.000 1.203 300 Y CB -0.970 37.505 38.460 0.024 0.000 0.984 300 Y HN 0.261 nan 8.280 nan 0.000 0.533 301 L N -0.147 120.866 121.223 -0.350 0.000 2.013 301 L HA -0.299 4.042 4.340 0.002 0.000 0.212 301 L C 2.192 178.861 176.870 -0.335 0.000 1.073 301 L CA 2.508 57.082 54.840 -0.444 0.000 0.753 301 L CB -0.770 40.947 42.059 -0.570 0.000 0.890 301 L HN 0.377 nan 8.230 nan 0.000 0.432 302 H N -2.048 116.809 119.070 -0.356 0.000 2.465 302 H HA -0.009 4.548 4.556 0.001 0.000 0.289 302 H C 2.382 177.463 175.328 -0.412 0.000 1.022 302 H CA 0.730 56.547 56.048 -0.384 0.000 1.340 302 H CB 0.101 29.663 29.762 -0.333 0.000 1.437 302 H HN 0.543 nan 8.280 nan 0.000 0.539 303 S N 1.719 117.153 115.700 -0.443 0.000 2.355 303 S HA -0.222 4.249 4.470 0.002 0.000 0.222 303 S C 2.136 176.615 174.600 -0.203 0.000 1.031 303 S CA 1.171 59.111 58.200 -0.433 0.000 0.993 303 S CB -0.239 62.491 63.200 -0.784 0.000 0.859 303 S HN 0.536 nan 8.310 nan 0.000 0.453 304 R N 0.741 121.113 120.500 -0.213 0.000 2.115 304 R HA 0.070 4.411 4.340 0.002 0.000 0.230 304 R C 2.342 178.592 176.300 -0.083 0.000 1.111 304 R CA 1.279 57.297 56.100 -0.137 0.000 0.976 304 R CB -0.802 29.300 30.300 -0.330 0.000 0.870 304 R HN 0.460 nan 8.270 nan 0.000 0.445 305 L N 1.238 122.393 121.223 -0.112 0.000 2.005 305 L HA -0.026 4.316 4.340 0.002 0.000 0.207 305 L C 2.152 178.940 176.870 -0.138 0.000 1.072 305 L CA 1.614 56.356 54.840 -0.163 0.000 0.744 305 L CB -0.244 41.536 42.059 -0.465 0.000 0.895 305 L HN 0.213 nan 8.230 nan 0.000 0.433 306 L N -0.733 120.402 121.223 -0.146 0.000 2.313 306 L HA -0.051 4.290 4.340 0.002 0.000 0.214 306 L C 2.432 179.292 176.870 -0.016 0.000 1.119 306 L CA 0.403 55.206 54.840 -0.061 0.000 0.809 306 L CB -0.589 41.423 42.059 -0.078 0.000 0.933 306 L HN 0.295 nan 8.230 nan 0.000 0.449 307 E N 0.602 120.785 120.200 -0.028 0.000 2.267 307 E HA -0.209 4.142 4.350 0.002 0.000 0.197 307 E C 2.120 178.724 176.600 0.007 0.000 0.998 307 E CA 0.968 57.367 56.400 -0.003 0.000 0.830 307 E CB 0.028 29.731 29.700 0.004 0.000 0.751 307 E HN 0.508 nan 8.360 nan 0.000 0.491 308 R N 0.299 120.807 120.500 0.015 0.000 2.200 308 R HA 0.104 4.445 4.340 0.002 0.000 0.208 308 R C 0.959 177.284 176.300 0.041 0.000 1.033 308 R CA 0.379 56.496 56.100 0.029 0.000 1.000 308 R CB 0.087 30.412 30.300 0.042 0.000 0.906 308 R HN -0.078 nan 8.270 nan 0.000 0.462 309 A N 1.461 124.312 122.820 0.051 0.000 2.491 309 A HA 0.520 4.841 4.320 0.002 0.000 0.261 309 A C -0.130 177.470 177.584 0.026 0.000 1.101 309 A CA 0.262 52.327 52.037 0.047 0.000 0.772 309 A CB 0.110 19.143 19.000 0.054 0.000 1.043 309 A HN 0.329 nan 8.150 nan 0.000 0.501 310 A N 2.543 125.376 122.820 0.022 0.000 2.612 310 A HA 0.704 5.025 4.320 0.002 0.000 0.293 310 A C -0.782 176.809 177.584 0.012 0.000 1.075 310 A CA -0.778 51.263 52.037 0.005 0.000 0.680 310 A CB 1.112 20.102 19.000 -0.017 0.000 1.279 310 A HN 0.869 nan 8.150 nan 0.000 0.411 311 K N 1.647 122.049 120.400 0.004 0.000 2.265 311 K HA 0.643 4.964 4.320 0.002 0.000 0.267 311 K C -0.655 175.940 176.600 -0.008 0.000 0.994 311 K CA -0.331 55.966 56.287 0.017 0.000 0.860 311 K CB 0.571 33.084 32.500 0.022 0.000 1.099 311 K HN 0.602 nan 8.250 nan 0.000 0.448 312 M N 3.142 122.742 119.600 0.001 0.000 2.314 312 M HA 0.242 4.723 4.480 0.002 0.000 0.342 312 M C 0.205 176.523 176.300 0.030 0.000 1.171 312 M CA -0.916 54.374 55.300 -0.016 0.000 1.098 312 M CB 0.603 33.215 32.600 0.021 0.000 1.559 312 M HN 0.772 nan 8.290 nan 0.000 0.459 313 N N 1.071 119.794 118.700 0.039 0.000 2.354 313 N HA 0.028 4.769 4.740 0.002 0.000 0.246 313 N C 0.080 175.666 175.510 0.128 0.000 1.285 313 N CA -0.062 53.038 53.050 0.084 0.000 0.925 313 N CB 0.474 39.016 38.487 0.092 0.000 1.174 313 N HN 0.418 nan 8.380 nan 0.000 0.478 314 D N -0.444 120.013 120.400 0.095 0.000 2.178 314 D HA -0.079 4.562 4.640 0.002 0.000 0.201 314 D C 1.659 178.003 176.300 0.073 0.000 0.980 314 D CA 1.590 55.634 54.000 0.073 0.000 0.842 314 D CB -0.605 40.223 40.800 0.047 0.000 0.948 314 D HN 0.718 nan 8.370 nan 0.000 0.472 315 A N -0.235 122.644 122.820 0.099 0.000 2.019 315 A HA -0.124 4.197 4.320 0.002 0.000 0.219 315 A C 1.535 179.086 177.584 -0.056 0.000 1.164 315 A CA 0.778 52.833 52.037 0.031 0.000 0.644 315 A CB -0.636 18.394 19.000 0.051 0.000 0.805 315 A HN 0.162 nan 8.150 nan 0.000 0.449 316 F N -1.171 118.771 119.950 -0.015 0.000 2.693 316 F HA 0.372 4.900 4.527 0.001 0.000 0.303 316 F C 1.798 177.577 175.800 -0.035 0.000 1.097 316 F CA 0.649 58.636 58.000 -0.022 0.000 1.330 316 F CB 0.506 39.495 39.000 -0.017 0.000 1.067 316 F HN 0.359 nan 8.300 nan 0.000 0.565 317 G N -0.620 108.229 108.800 0.082 0.000 2.238 317 G HA2 -0.109 3.852 3.960 0.002 0.000 0.217 317 G HA3 -0.109 3.852 3.960 0.002 0.000 0.217 317 G C 1.232 176.141 174.900 0.015 0.000 0.996 317 G CA -0.131 44.982 45.100 0.022 0.000 0.632 317 G HN 0.990 nan 8.290 nan 0.000 0.503 318 G N -0.423 108.406 108.800 0.049 0.000 2.148 318 G HA2 0.185 4.146 3.960 0.002 0.000 0.254 318 G HA3 0.185 4.146 3.960 0.002 0.000 0.254 318 G C 1.452 176.347 174.900 -0.008 0.000 0.981 318 G CA 1.099 46.224 45.100 0.041 0.000 0.670 318 G HN 2.079 nan 8.290 nan 0.000 0.528 319 G N -0.524 108.224 108.800 -0.087 0.000 2.621 319 G HA2 0.746 4.707 3.960 0.002 0.000 0.271 319 G HA3 0.746 4.707 3.960 0.002 0.000 0.271 319 G C 0.301 175.149 174.900 -0.086 0.000 1.236 319 G CA 0.901 45.849 45.100 -0.253 0.000 0.958 319 G HN 1.846 nan 8.290 nan 0.000 0.512 320 S N -1.724 113.943 115.700 -0.055 0.000 2.570 320 S HA 0.602 5.073 4.470 0.002 0.000 0.270 320 S C -1.559 173.097 174.600 0.092 0.000 1.149 320 S CA -0.807 57.450 58.200 0.094 0.000 0.837 320 S CB 1.917 65.256 63.200 0.231 0.000 1.124 320 S HN 1.115 nan 8.310 nan 0.000 0.465 321 L N 1.626 122.894 121.223 0.074 0.000 2.376 321 L HA 0.739 5.080 4.340 0.002 0.000 0.275 321 L C -0.732 176.165 176.870 0.046 0.000 0.987 321 L CA 0.216 55.098 54.840 0.070 0.000 0.828 321 L CB 1.862 43.965 42.059 0.073 0.000 1.249 321 L HN 0.927 nan 8.230 nan 0.000 0.409 322 T N 4.192 118.763 114.554 0.028 0.000 2.829 322 T HA 0.853 5.204 4.350 0.002 0.000 0.282 322 T C -0.379 174.309 174.700 -0.019 0.000 0.990 322 T CA -0.236 61.868 62.100 0.006 0.000 1.028 322 T CB 1.448 70.312 68.868 -0.007 0.000 0.951 322 T HN 0.808 nan 8.240 nan 0.000 0.460 323 A N 3.081 125.895 122.820 -0.011 0.000 2.355 323 A HA 0.772 5.093 4.320 0.002 0.000 0.317 323 A C -0.689 176.879 177.584 -0.026 0.000 1.094 323 A CA -0.753 51.262 52.037 -0.037 0.000 0.764 323 A CB 0.718 19.764 19.000 0.076 0.000 1.230 323 A HN 0.849 nan 8.150 nan 0.000 0.448 324 L N 4.245 125.425 121.223 -0.072 0.000 2.445 324 L HA 0.334 4.675 4.340 0.002 0.000 0.252 324 L C -2.332 174.528 176.870 -0.017 0.000 1.105 324 L CA -1.744 53.078 54.840 -0.030 0.000 0.943 324 L CB 1.370 43.413 42.059 -0.027 0.000 1.277 324 L HN 0.488 nan 8.230 nan 0.000 0.465 325 P HA 0.140 nan 4.420 nan 0.000 0.274 325 P C -0.521 176.783 177.300 0.007 0.000 1.231 325 P CA -0.150 62.999 63.100 0.082 0.000 0.790 325 P CB 2.007 33.724 31.700 0.028 0.000 0.951 326 V N 3.975 123.883 119.914 -0.010 0.000 2.495 326 V HA 0.408 4.529 4.120 0.002 0.000 0.298 326 V C 0.335 176.411 176.094 -0.031 0.000 1.031 326 V CA -0.587 61.706 62.300 -0.011 0.000 0.871 326 V CB 1.672 33.495 31.823 -0.001 0.000 0.988 326 V HN 0.423 nan 8.190 nan 0.000 0.432 327 I N 3.425 123.989 120.570 -0.010 0.000 2.545 327 I HA 0.450 4.621 4.170 0.002 0.000 0.292 327 I C -0.097 176.037 176.117 0.028 0.000 1.040 327 I CA -0.409 60.889 61.300 -0.003 0.000 1.068 327 I CB 2.179 40.174 38.000 -0.008 0.000 1.251 327 I HN 0.751 nan 8.210 nan 0.000 0.424 328 E N 4.863 125.084 120.200 0.034 0.000 2.134 328 E HA 0.380 4.731 4.350 0.002 0.000 0.278 328 E C -0.615 176.024 176.600 0.065 0.000 0.959 328 E CA -0.391 56.034 56.400 0.043 0.000 0.783 328 E CB 1.210 30.931 29.700 0.036 0.000 1.095 328 E HN 0.692 nan 8.360 nan 0.000 0.399 329 T N 1.981 116.584 114.554 0.081 0.000 2.918 329 T HA 0.285 4.636 4.350 0.002 0.000 0.283 329 T C 0.053 174.802 174.700 0.082 0.000 1.001 329 T CA -1.009 61.151 62.100 0.101 0.000 1.041 329 T CB 1.455 70.418 68.868 0.159 0.000 1.028 329 T HN 0.331 nan 8.240 nan 0.000 0.511 330 Q N 0.749 120.600 119.800 0.085 0.000 2.368 330 Q HA 0.517 4.858 4.340 0.002 0.000 0.256 330 Q C 0.584 176.627 176.000 0.073 0.000 0.980 330 Q CA 0.055 55.900 55.803 0.071 0.000 0.887 330 Q CB 0.907 29.687 28.738 0.070 0.000 1.221 330 Q HN 1.198 nan 8.270 nan 0.000 0.458 331 A N 2.471 125.330 122.820 0.064 0.000 2.822 331 A HA -0.153 4.168 4.320 0.002 0.000 0.287 331 A C 1.111 178.753 177.584 0.095 0.000 1.479 331 A CA 1.399 53.474 52.037 0.064 0.000 0.779 331 A CB -2.115 16.914 19.000 0.049 0.000 1.022 331 A HN 1.507 nan 8.150 nan 0.000 0.532 332 G N -1.358 107.528 108.800 0.142 0.000 2.148 332 G HA2 -0.178 3.783 3.960 0.002 0.000 0.254 332 G HA3 -0.178 3.783 3.960 0.002 0.000 0.254 332 G C -0.078 174.927 174.900 0.175 0.000 0.981 332 G CA 1.080 46.332 45.100 0.254 0.000 0.670 332 G HN 1.799 nan 8.290 nan 0.000 0.528 333 D N 0.647 121.113 120.400 0.110 0.000 2.422 333 D HA 0.408 5.049 4.640 0.002 0.000 0.227 333 D C 1.761 178.087 176.300 0.042 0.000 1.190 333 D CA 0.285 54.321 54.000 0.059 0.000 0.905 333 D CB 0.714 41.549 40.800 0.058 0.000 1.034 333 D HN 0.620 nan 8.370 nan 0.000 0.507 334 V N 1.702 121.601 119.914 -0.025 0.000 3.573 334 V HA 0.003 4.124 4.120 0.002 0.000 0.270 334 V C 1.473 177.555 176.094 -0.020 0.000 1.221 334 V CA 1.174 63.444 62.300 -0.051 0.000 1.163 334 V CB -0.497 31.209 31.823 -0.196 0.000 0.847 334 V HN 0.468 nan 8.190 nan 0.000 0.468 335 S N 0.320 116.019 115.700 -0.002 0.000 2.575 335 S HA 0.502 4.973 4.470 0.002 0.000 0.215 335 S C 1.110 175.743 174.600 0.056 0.000 0.966 335 S CA 0.250 58.460 58.200 0.017 0.000 0.911 335 S CB -0.240 62.964 63.200 0.007 0.000 0.780 335 S HN 1.091 nan 8.310 nan 0.000 0.514 336 A N 0.968 123.832 122.820 0.073 0.000 2.366 336 A HA 0.430 4.751 4.320 0.002 0.000 0.250 336 A C 0.788 178.473 177.584 0.169 0.000 1.099 336 A CA -0.238 51.870 52.037 0.119 0.000 0.794 336 A CB -0.370 18.702 19.000 0.121 0.000 1.056 336 A HN 0.497 nan 8.150 nan 0.000 0.499 337 Y N 0.098 120.427 120.300 0.047 0.000 2.070 337 Y HA -0.230 4.321 4.550 0.002 0.000 0.280 337 Y C 1.866 177.765 175.900 -0.001 0.000 1.148 337 Y CA 1.903 60.021 58.100 0.030 0.000 1.125 337 Y CB -0.023 38.471 38.460 0.056 0.000 0.975 337 Y HN 0.508 nan 8.280 nan 0.000 0.492 338 I N 0.418 120.929 120.570 -0.099 0.000 2.202 338 I HA -0.149 4.022 4.170 0.002 0.000 0.242 338 I C -0.612 175.467 176.117 -0.063 0.000 1.091 338 I CA 1.056 62.224 61.300 -0.219 0.000 1.368 338 I CB -2.879 34.977 38.000 -0.240 0.000 1.058 338 I HN 0.196 nan 8.210 nan 0.000 0.410 339 P HA -0.165 nan 4.420 nan 0.000 0.214 339 P C 1.869 179.180 177.300 0.020 0.000 1.163 339 P CA 2.643 65.754 63.100 0.018 0.000 0.889 339 P CB -0.315 31.407 31.700 0.038 0.000 0.790 340 T N -3.393 111.183 114.554 0.036 0.000 2.746 340 T HA -0.163 4.188 4.350 0.002 0.000 0.267 340 T C 1.728 176.466 174.700 0.063 0.000 1.039 340 T CA 1.426 63.555 62.100 0.047 0.000 1.142 340 T CB -1.279 67.631 68.868 0.069 0.000 0.866 340 T HN -0.038 nan 8.240 nan 0.000 0.444 341 N N 1.436 120.166 118.700 0.051 0.000 2.061 341 N HA -0.080 4.662 4.740 0.002 0.000 0.193 341 N C 1.948 177.557 175.510 0.166 0.000 1.030 341 N CA 1.419 54.550 53.050 0.135 0.000 0.856 341 N CB -0.859 37.642 38.487 0.024 0.000 1.023 341 N HN 0.373 nan 8.380 nan 0.000 0.424 342 V N 1.236 121.189 119.914 0.065 0.000 2.548 342 V HA -0.065 4.056 4.120 0.002 0.000 0.249 342 V C 2.194 178.307 176.094 0.032 0.000 1.055 342 V CA 0.821 63.131 62.300 0.017 0.000 1.065 342 V CB -0.348 31.433 31.823 -0.070 0.000 0.681 342 V HN 0.228 nan 8.190 nan 0.000 0.462 343 I N 1.398 121.991 120.570 0.037 0.000 2.286 343 I HA -0.214 3.957 4.170 0.002 0.000 0.248 343 I C 2.465 178.617 176.117 0.058 0.000 1.115 343 I CA 1.891 63.212 61.300 0.035 0.000 1.392 343 I CB -0.405 37.606 38.000 0.019 0.000 1.065 343 I HN 0.479 nan 8.210 nan 0.000 0.418 344 S N -0.015 115.742 115.700 0.096 0.000 2.607 344 S HA 0.100 4.571 4.470 0.002 0.000 0.224 344 S C 1.529 176.242 174.600 0.188 0.000 0.969 344 S CA 0.342 58.619 58.200 0.128 0.000 0.927 344 S CB -0.335 62.941 63.200 0.128 0.000 0.772 344 S HN 0.443 nan 8.310 nan 0.000 0.533 345 I N 1.317 121.976 120.570 0.147 0.000 3.136 345 I HA 0.076 4.247 4.170 0.002 0.000 0.262 345 I C 1.484 177.631 176.117 0.048 0.000 1.132 345 I CA 0.560 61.919 61.300 0.098 0.000 1.450 345 I CB -0.395 37.611 38.000 0.010 0.000 1.315 345 I HN 0.319 nan 8.210 nan 0.000 0.460 346 T N -1.325 113.247 114.554 0.031 0.000 2.698 346 T HA 0.084 4.435 4.350 0.002 0.000 0.295 346 T C 0.153 174.869 174.700 0.027 0.000 1.007 346 T CA -0.335 61.778 62.100 0.021 0.000 0.980 346 T CB 0.549 69.425 68.868 0.013 0.000 1.036 346 T HN 0.033 nan 8.240 nan 0.000 0.526 347 D N 0.579 120.993 120.400 0.022 0.000 2.894 347 D HA 0.457 5.098 4.640 0.002 0.000 0.248 347 D C 0.892 177.205 176.300 0.021 0.000 1.291 347 D CA 0.243 54.256 54.000 0.021 0.000 0.840 347 D CB -0.241 40.569 40.800 0.017 0.000 1.044 347 D HN 1.030 nan 8.370 nan 0.000 0.484 348 G N 0.747 109.561 108.800 0.023 0.000 2.381 348 G HA2 0.098 4.059 3.960 0.002 0.000 0.672 348 G HA3 0.098 4.059 3.960 0.002 0.000 0.672 348 G C -1.582 173.337 174.900 0.031 0.000 1.324 348 G CA -1.072 44.043 45.100 0.025 0.000 0.975 348 G HN 0.104 nan 8.290 nan 0.000 0.593 349 Q N -1.203 118.622 119.800 0.041 0.000 2.379 349 Q HA 0.737 5.078 4.340 0.002 0.000 0.278 349 Q C -0.542 175.509 176.000 0.085 0.000 1.068 349 Q CA -0.616 55.224 55.803 0.061 0.000 0.816 349 Q CB 2.434 31.213 28.738 0.068 0.000 1.387 349 Q HN 0.696 nan 8.270 nan 0.000 0.413 350 I N 1.984 122.611 120.570 0.095 0.000 2.312 350 I HA 0.357 4.529 4.170 0.002 0.000 0.290 350 I C -1.024 175.196 176.117 0.170 0.000 1.008 350 I CA -0.655 60.710 61.300 0.108 0.000 1.226 350 I CB 0.555 38.594 38.000 0.065 0.000 1.371 350 I HN 0.496 nan 8.210 nan 0.000 0.468 351 F N 8.138 128.101 119.950 0.022 0.000 2.404 351 F HA 0.547 5.075 4.527 0.001 0.000 0.354 351 F C -0.782 175.036 175.800 0.029 0.000 1.122 351 F CA -0.721 57.292 58.000 0.022 0.000 1.080 351 F CB 0.712 39.726 39.000 0.024 0.000 1.131 351 F HN 0.199 nan 8.300 nan 0.000 0.471 352 L N 5.685 126.576 121.223 -0.552 0.000 2.295 352 L HA 0.463 4.804 4.340 0.002 0.000 0.285 352 L C -0.340 176.040 176.870 -0.817 0.000 1.035 352 L CA -0.556 53.992 54.840 -0.488 0.000 0.806 352 L CB 1.632 43.541 42.059 -0.251 0.000 1.214 352 L HN 0.564 nan 8.230 nan 0.000 0.426 353 E N 1.150 121.056 120.200 -0.490 0.000 2.176 353 E HA 0.230 4.581 4.350 0.002 0.000 0.267 353 E C 0.165 176.711 176.600 -0.089 0.000 0.893 353 E CA -0.401 55.783 56.400 -0.361 0.000 0.761 353 E CB 1.830 31.428 29.700 -0.171 0.000 1.133 353 E HN 0.643 nan 8.360 nan 0.000 0.409 354 T N 3.175 117.696 114.554 -0.055 0.000 2.665 354 T HA -0.229 4.122 4.350 0.002 0.000 0.268 354 T C 1.440 176.237 174.700 0.161 0.000 1.035 354 T CA 1.528 63.662 62.100 0.056 0.000 1.151 354 T CB -0.054 68.831 68.868 0.028 0.000 0.862 354 T HN 0.589 nan 8.240 nan 0.000 0.438 355 E N 0.534 120.796 120.200 0.103 0.000 2.085 355 E HA -0.139 4.212 4.350 0.002 0.000 0.194 355 E C 2.177 178.878 176.600 0.169 0.000 0.994 355 E CA 0.980 57.452 56.400 0.119 0.000 0.801 355 E CB -0.199 29.545 29.700 0.073 0.000 0.743 355 E HN 0.464 nan 8.360 nan 0.000 0.453 356 L N -0.263 121.041 121.223 0.135 0.000 2.027 356 L HA -0.152 4.189 4.340 0.002 0.000 0.206 356 L C 2.469 179.428 176.870 0.149 0.000 1.074 356 L CA 0.993 55.906 54.840 0.122 0.000 0.745 356 L CB -0.502 41.609 42.059 0.087 0.000 0.898 356 L HN 0.191 nan 8.230 nan 0.000 0.433 357 F N -0.292 119.676 119.950 0.031 0.000 2.126 357 F HA -0.333 4.195 4.527 0.002 0.000 0.299 357 F C 2.534 178.369 175.800 0.060 0.000 1.096 357 F CA 1.630 59.646 58.000 0.027 0.000 1.255 357 F CB -0.349 38.659 39.000 0.013 0.000 0.997 357 F HN -0.006 nan 8.300 nan 0.000 0.479 358 Y N 0.939 121.316 120.300 0.129 0.000 2.242 358 Y HA -0.162 4.389 4.550 0.001 0.000 0.291 358 Y C 2.166 178.050 175.900 -0.027 0.000 1.137 358 Y CA 1.816 59.944 58.100 0.047 0.000 1.181 358 Y CB -0.348 38.161 38.460 0.081 0.000 0.989 358 Y HN -0.045 nan 8.280 nan 0.000 0.527 359 K N -0.642 119.821 120.400 0.105 0.000 2.504 359 K HA 0.083 4.404 4.320 0.002 0.000 0.195 359 K C 1.248 177.798 176.600 -0.083 0.000 1.036 359 K CA 0.740 57.041 56.287 0.024 0.000 0.984 359 K CB -0.163 32.385 32.500 0.080 0.000 0.788 359 K HN 0.538 nan 8.250 nan 0.000 0.488 360 G N 1.189 109.893 108.800 -0.159 0.000 2.159 360 G HA2 -0.187 3.775 3.960 0.002 0.000 0.227 360 G HA3 -0.187 3.775 3.960 0.002 0.000 0.227 360 G C 0.045 174.860 174.900 -0.143 0.000 0.986 360 G CA -0.481 44.497 45.100 -0.204 0.000 0.651 360 G HN 0.126 nan 8.290 nan 0.000 0.523 361 I N 1.237 121.759 120.570 -0.080 0.000 2.494 361 I HA 0.373 4.544 4.170 0.002 0.000 0.289 361 I C 0.850 176.946 176.117 -0.034 0.000 1.106 361 I CA 0.506 61.788 61.300 -0.030 0.000 1.369 361 I CB 0.348 38.361 38.000 0.022 0.000 1.410 361 I HN 0.158 nan 8.210 nan 0.000 0.523 362 R N 7.718 128.193 120.500 -0.041 0.000 2.533 362 R HA 0.408 4.749 4.340 0.002 0.000 0.288 362 R C -2.563 173.732 176.300 -0.008 0.000 1.039 362 R CA -1.501 54.587 56.100 -0.020 0.000 0.909 362 R CB 2.791 33.040 30.300 -0.085 0.000 1.195 362 R HN 0.321 nan 8.270 nan 0.000 0.438 363 P HA 0.015 nan 4.420 nan 0.000 0.269 363 P C -0.454 176.882 177.300 0.060 0.000 1.209 363 P CA -0.080 63.047 63.100 0.045 0.000 0.776 363 P CB 1.011 32.727 31.700 0.027 0.000 0.876 364 A N 4.143 127.026 122.820 0.106 0.000 2.728 364 A HA 0.176 4.497 4.320 0.002 0.000 0.258 364 A C 0.791 178.387 177.584 0.020 0.000 1.454 364 A CA -0.330 51.766 52.037 0.097 0.000 1.146 364 A CB -1.445 17.680 19.000 0.208 0.000 0.985 364 A HN 0.482 nan 8.150 nan 0.000 0.603 365 I N 1.266 121.852 120.570 0.027 0.000 2.452 365 I HA 0.013 4.184 4.170 0.002 0.000 0.287 365 I C 0.503 176.654 176.117 0.056 0.000 1.079 365 I CA -0.355 60.961 61.300 0.027 0.000 1.387 365 I CB 0.540 38.565 38.000 0.041 0.000 1.404 365 I HN 0.323 nan 8.210 nan 0.000 0.522 366 N N 6.601 125.351 118.700 0.083 0.000 2.399 366 N HA 0.046 4.788 4.740 0.002 0.000 0.259 366 N C 0.791 176.385 175.510 0.139 0.000 1.160 366 N CA 0.058 53.194 53.050 0.145 0.000 0.946 366 N CB 1.341 39.993 38.487 0.275 0.000 1.156 366 N HN 0.413 nan 8.380 nan 0.000 0.489 367 V N 4.204 124.182 119.914 0.108 0.000 2.255 367 V HA -0.189 3.932 4.120 0.002 0.000 0.247 367 V C 2.383 178.531 176.094 0.089 0.000 1.051 367 V CA 2.351 64.706 62.300 0.091 0.000 1.018 367 V CB -1.013 30.860 31.823 0.084 0.000 0.641 367 V HN 0.777 nan 8.190 nan 0.000 0.445 368 G N -0.664 108.189 108.800 0.088 0.000 2.442 368 G HA2 -0.208 3.753 3.960 0.002 0.000 0.219 368 G HA3 -0.208 3.753 3.960 0.002 0.000 0.219 368 G C 1.551 176.488 174.900 0.062 0.000 1.141 368 G CA 0.850 45.991 45.100 0.068 0.000 0.763 368 G HN 0.480 nan 8.290 nan 0.000 0.554 369 L N 0.776 122.052 121.223 0.088 0.000 2.446 369 L HA 0.159 4.500 4.340 0.002 0.000 0.219 369 L C 0.931 177.845 176.870 0.073 0.000 1.116 369 L CA -0.209 54.667 54.840 0.061 0.000 0.844 369 L CB 0.072 42.167 42.059 0.060 0.000 0.970 369 L HN 0.043 nan 8.230 nan 0.000 0.457 370 S N -0.324 115.442 115.700 0.111 0.000 2.584 370 S HA 0.486 4.957 4.470 0.002 0.000 0.273 370 S C -0.217 174.420 174.600 0.061 0.000 1.311 370 S CA -0.429 57.832 58.200 0.101 0.000 1.034 370 S CB 2.032 65.298 63.200 0.110 0.000 0.939 370 S HN -0.087 nan 8.310 nan 0.000 0.513 371 V N 1.517 121.461 119.914 0.051 0.000 2.808 371 V HA 0.566 4.687 4.120 0.002 0.000 0.308 371 V C -0.456 175.658 176.094 0.032 0.000 1.099 371 V CA -0.775 61.546 62.300 0.035 0.000 0.920 371 V CB 2.126 33.964 31.823 0.024 0.000 1.014 371 V HN 0.771 nan 8.190 nan 0.000 0.425 372 S N 2.796 118.512 115.700 0.027 0.000 2.566 372 S HA 0.450 4.921 4.470 0.002 0.000 0.324 372 S C 0.877 175.487 174.600 0.017 0.000 1.081 372 S CA -0.684 57.529 58.200 0.022 0.000 1.105 372 S CB 0.950 64.161 63.200 0.019 0.000 0.981 372 S HN 0.714 nan 8.310 nan 0.000 0.464 373 R N 2.496 123.006 120.500 0.016 0.000 2.148 373 R HA 0.015 4.356 4.340 0.002 0.000 0.223 373 R C 1.406 177.712 176.300 0.011 0.000 1.088 373 R CA 1.507 57.615 56.100 0.014 0.000 0.985 373 R CB -0.115 30.195 30.300 0.016 0.000 0.880 373 R HN 0.618 nan 8.270 nan 0.000 0.451 374 V N -5.060 114.860 119.914 0.010 0.000 3.382 374 V HA 0.397 4.518 4.120 0.002 0.000 0.296 374 V C 1.335 177.431 176.094 0.003 0.000 1.529 374 V CA 0.453 62.757 62.300 0.006 0.000 1.048 374 V CB 0.775 32.601 31.823 0.006 0.000 0.878 374 V HN 0.143 nan 8.190 nan 0.000 0.442 375 G N 0.573 109.376 108.800 0.004 0.000 2.511 375 G HA2 -0.139 3.822 3.960 0.002 0.000 0.217 375 G HA3 -0.139 3.822 3.960 0.002 0.000 0.217 375 G C 1.512 176.411 174.900 -0.001 0.000 1.133 375 G CA 1.144 46.244 45.100 -0.000 0.000 0.792 375 G HN 0.550 nan 8.290 nan 0.000 0.539 376 S N 0.879 116.581 115.700 0.003 0.000 2.382 376 S HA 0.030 4.502 4.470 0.002 0.000 0.228 376 S C 2.619 177.219 174.600 -0.000 0.000 1.027 376 S CA 1.533 59.735 58.200 0.004 0.000 0.991 376 S CB -0.338 62.866 63.200 0.007 0.000 0.823 376 S HN 0.474 nan 8.310 nan 0.000 0.469 377 A N 0.164 122.982 122.820 -0.002 0.000 2.172 377 A HA 0.471 4.792 4.320 0.002 0.000 0.216 377 A C 1.607 179.183 177.584 -0.013 0.000 1.154 377 A CA 1.155 53.189 52.037 -0.005 0.000 0.701 377 A CB -0.542 18.456 19.000 -0.004 0.000 0.789 377 A HN 0.739 nan 8.150 nan 0.000 0.465 378 A N -0.760 122.050 122.820 -0.016 0.000 2.827 378 A HA 0.502 4.823 4.320 0.002 0.000 0.300 378 A C 0.183 177.750 177.584 -0.028 0.000 1.237 378 A CA -0.246 51.773 52.037 -0.029 0.000 0.964 378 A CB -0.149 18.830 19.000 -0.034 0.000 1.143 378 A HN 0.476 nan 8.150 nan 0.000 0.554 379 Q N 0.792 120.581 119.800 -0.018 0.000 2.353 379 Q HA 0.464 4.805 4.340 0.002 0.000 0.268 379 Q C 0.008 176.001 176.000 -0.011 0.000 1.045 379 Q CA -0.555 55.241 55.803 -0.011 0.000 0.811 379 Q CB 1.790 30.528 28.738 0.000 0.000 1.305 379 Q HN 0.519 nan 8.270 nan 0.000 0.447 380 T N 0.093 114.642 114.554 -0.009 0.000 2.903 380 T HA 0.060 4.411 4.350 0.002 0.000 0.314 380 T C 0.950 175.652 174.700 0.003 0.000 1.078 380 T CA -0.414 61.682 62.100 -0.006 0.000 1.114 380 T CB 1.016 69.882 68.868 -0.002 0.000 0.987 380 T HN 0.728 nan 8.240 nan 0.000 0.548 381 R N 2.188 122.690 120.500 0.003 0.000 2.096 381 R HA -0.009 4.332 4.340 0.002 0.000 0.235 381 R C 2.508 178.818 176.300 0.017 0.000 1.127 381 R CA 2.048 58.153 56.100 0.010 0.000 0.968 381 R CB -1.469 28.835 30.300 0.007 0.000 0.861 381 R HN 0.874 nan 8.270 nan 0.000 0.440 382 A N 0.369 123.198 122.820 0.015 0.000 1.892 382 A HA -0.238 4.083 4.320 0.002 0.000 0.218 382 A C 2.186 179.791 177.584 0.035 0.000 1.188 382 A CA 2.164 54.214 52.037 0.022 0.000 0.631 382 A CB -0.652 18.355 19.000 0.011 0.000 0.822 382 A HN 0.467 nan 8.150 nan 0.000 0.447 383 M N -0.481 119.137 119.600 0.029 0.000 2.156 383 M HA -0.003 4.478 4.480 0.002 0.000 0.264 383 M C 1.866 178.187 176.300 0.034 0.000 1.067 383 M CA 1.743 57.064 55.300 0.035 0.000 1.131 383 M CB -0.486 32.130 32.600 0.027 0.000 1.368 383 M HN 0.347 nan 8.290 nan 0.000 0.416 384 K N -0.286 120.130 120.400 0.025 0.000 2.127 384 K HA -0.268 4.054 4.320 0.002 0.000 0.208 384 K C 1.984 178.602 176.600 0.029 0.000 1.047 384 K CA 2.075 58.376 56.287 0.023 0.000 0.927 384 K CB -0.150 32.360 32.500 0.017 0.000 0.716 384 K HN 0.589 nan 8.250 nan 0.000 0.450 385 Q N -0.284 119.539 119.800 0.038 0.000 1.941 385 Q HA -0.139 4.202 4.340 0.002 0.000 0.201 385 Q C 2.159 178.190 176.000 0.052 0.000 0.982 385 Q CA 1.916 57.747 55.803 0.047 0.000 0.839 385 Q CB -0.186 28.589 28.738 0.062 0.000 0.904 385 Q HN 0.306 nan 8.270 nan 0.000 0.427 386 V N -2.015 117.942 119.914 0.072 0.000 2.809 386 V HA -0.006 4.116 4.120 0.002 0.000 0.256 386 V C 1.874 177.994 176.094 0.044 0.000 1.080 386 V CA 1.578 63.922 62.300 0.073 0.000 1.102 386 V CB -0.875 31.024 31.823 0.126 0.000 0.705 386 V HN 0.326 nan 8.190 nan 0.000 0.475 387 A N 1.067 123.911 122.820 0.041 0.000 2.021 387 A HA 0.304 4.625 4.320 0.002 0.000 0.216 387 A C 2.283 179.881 177.584 0.024 0.000 1.163 387 A CA 1.148 53.204 52.037 0.031 0.000 0.676 387 A CB -1.030 17.989 19.000 0.031 0.000 0.818 387 A HN 0.619 nan 8.150 nan 0.000 0.453 388 G N -0.801 108.013 108.800 0.023 0.000 2.402 388 G HA2 -0.184 3.777 3.960 0.002 0.000 0.216 388 G HA3 -0.184 3.777 3.960 0.002 0.000 0.216 388 G C 1.691 176.600 174.900 0.014 0.000 1.162 388 G CA 1.803 46.914 45.100 0.019 0.000 0.777 388 G HN 0.514 nan 8.290 nan 0.000 0.539 389 T N -0.337 114.223 114.554 0.011 0.000 2.951 389 T HA -0.041 4.311 4.350 0.002 0.000 0.268 389 T C 2.312 177.010 174.700 -0.003 0.000 1.073 389 T CA 1.558 63.658 62.100 0.001 0.000 1.134 389 T CB -0.206 68.657 68.868 -0.008 0.000 0.884 389 T HN 0.274 nan 8.240 nan 0.000 0.479 390 M N 0.132 119.732 119.600 0.000 0.000 2.200 390 M HA 0.065 4.546 4.480 0.002 0.000 0.265 390 M C 2.350 178.655 176.300 0.009 0.000 1.066 390 M CA 1.670 56.968 55.300 -0.003 0.000 1.127 390 M CB -0.233 32.368 32.600 0.001 0.000 1.379 390 M HN 0.150 nan 8.290 nan 0.000 0.420 391 K N 0.260 120.670 120.400 0.018 0.000 2.063 391 K HA -0.222 4.099 4.320 0.002 0.000 0.208 391 K C 1.922 178.539 176.600 0.028 0.000 1.048 391 K CA 1.687 57.990 56.287 0.026 0.000 0.928 391 K CB -0.309 32.206 32.500 0.025 0.000 0.713 391 K HN 0.386 nan 8.250 nan 0.000 0.442 392 L N 1.805 123.040 121.223 0.020 0.000 2.027 392 L HA -0.128 4.213 4.340 0.002 0.000 0.206 392 L C 1.767 178.653 176.870 0.026 0.000 1.074 392 L CA 1.812 56.664 54.840 0.020 0.000 0.745 392 L CB -0.277 41.788 42.059 0.011 0.000 0.898 392 L HN 0.199 nan 8.230 nan 0.000 0.433 393 E N -0.896 119.314 120.200 0.016 0.000 2.268 393 E HA -0.158 4.193 4.350 0.002 0.000 0.195 393 E C 2.177 178.806 176.600 0.048 0.000 0.995 393 E CA 0.846 57.255 56.400 0.015 0.000 0.836 393 E CB -0.051 29.636 29.700 -0.021 0.000 0.763 393 E HN 0.509 nan 8.360 nan 0.000 0.491 394 L N -0.152 121.106 121.223 0.059 0.000 2.249 394 L HA 0.061 4.402 4.340 0.002 0.000 0.207 394 L C 2.388 179.352 176.870 0.156 0.000 1.090 394 L CA 0.424 55.339 54.840 0.124 0.000 0.802 394 L CB -0.090 42.022 42.059 0.088 0.000 0.947 394 L HN 0.092 nan 8.230 nan 0.000 0.453 395 A N -0.480 122.395 122.820 0.091 0.000 2.015 395 A HA -0.194 4.127 4.320 0.002 0.000 0.219 395 A C 2.041 179.663 177.584 0.063 0.000 1.163 395 A CA 1.190 53.268 52.037 0.068 0.000 0.646 395 A CB -0.268 18.759 19.000 0.044 0.000 0.806 395 A HN 0.463 nan 8.150 nan 0.000 0.448 396 Q N -2.595 117.251 119.800 0.077 0.000 2.403 396 Q HA 0.039 4.380 4.340 0.002 0.000 0.203 396 Q C 1.195 177.262 176.000 0.112 0.000 0.932 396 Q CA 0.545 56.389 55.803 0.069 0.000 0.945 396 Q CB 0.019 28.789 28.738 0.053 0.000 1.045 396 Q HN 0.881 nan 8.270 nan 0.000 0.511 397 Y N -0.515 119.785 120.300 -0.000 0.000 2.462 397 Y HA 0.234 4.785 4.550 0.002 0.000 0.253 397 Y C 1.215 177.118 175.900 0.006 0.000 1.095 397 Y CA 0.092 58.193 58.100 0.000 0.000 1.283 397 Y CB 0.551 39.010 38.460 -0.001 0.000 1.138 397 Y HN -0.232 nan 8.280 nan 0.000 0.522 398 R N 1.346 121.790 120.500 -0.093 0.000 2.346 398 R HA 0.027 4.368 4.340 0.002 0.000 0.225 398 R C 0.776 176.994 176.300 -0.137 0.000 0.987 398 R CA 0.877 56.882 56.100 -0.159 0.000 1.106 398 R CB 0.038 30.324 30.300 -0.024 0.000 1.090 398 R HN 0.554 nan 8.270 nan 0.000 0.502 399 E N -1.154 118.964 120.200 -0.138 0.000 2.603 399 E HA -0.041 4.310 4.350 0.002 0.000 0.218 399 E C 1.146 177.685 176.600 -0.101 0.000 0.878 399 E CA 0.379 56.722 56.400 -0.095 0.000 1.348 399 E CB 0.023 29.694 29.700 -0.048 0.000 1.318 399 E HN 0.176 nan 8.360 nan 0.000 0.673 400 V N -1.214 118.623 119.914 -0.128 0.000 3.608 400 V HA 0.549 4.670 4.120 0.002 0.000 0.269 400 V C 1.192 177.201 176.094 -0.143 0.000 1.245 400 V CA 0.197 62.440 62.300 -0.095 0.000 1.138 400 V CB -0.089 31.716 31.823 -0.030 0.000 0.841 400 V HN 0.293 nan 8.190 nan 0.000 0.451 411 D N 1.857 122.256 120.400 -0.001 0.000 2.382 411 D HA 0.241 4.882 4.640 0.002 0.000 0.245 411 D C 0.942 177.240 176.300 -0.002 0.000 1.120 411 D CA 0.160 54.159 54.000 -0.002 0.000 0.890 411 D CB 1.839 42.638 40.800 -0.002 0.000 1.201 411 D HN 0.650 nan 8.370 nan 0.000 0.433 412 A N 2.365 125.183 122.820 -0.004 0.000 2.019 412 A HA 0.007 4.328 4.320 0.002 0.000 0.219 412 A C 2.174 179.755 177.584 -0.006 0.000 1.164 412 A CA 1.731 53.764 52.037 -0.007 0.000 0.644 412 A CB -0.690 18.305 19.000 -0.010 0.000 0.805 412 A HN 0.734 nan 8.150 nan 0.000 0.449 413 A N -0.349 122.468 122.820 -0.004 0.000 1.930 413 A HA -0.063 4.258 4.320 0.002 0.000 0.217 413 A C 2.260 179.845 177.584 0.002 0.000 1.175 413 A CA 2.264 54.299 52.037 -0.003 0.000 0.627 413 A CB -0.893 18.105 19.000 -0.003 0.000 0.815 413 A HN 0.762 nan 8.150 nan 0.000 0.443 414 T N -3.871 110.686 114.554 0.005 0.000 3.040 414 T HA 0.146 4.497 4.350 0.002 0.000 0.250 414 T C 1.612 176.325 174.700 0.021 0.000 1.058 414 T CA 0.688 62.797 62.100 0.014 0.000 0.988 414 T CB 0.162 69.036 68.868 0.010 0.000 0.993 414 T HN 0.466 nan 8.240 nan 0.000 0.519 415 Q N 0.462 120.269 119.800 0.011 0.000 2.172 415 Q HA -0.077 4.264 4.340 0.002 0.000 0.200 415 Q C 2.385 178.389 176.000 0.008 0.000 0.964 415 Q CA 1.119 56.928 55.803 0.011 0.000 0.855 415 Q CB -0.032 28.707 28.738 0.001 0.000 0.918 415 Q HN 0.495 nan 8.270 nan 0.000 0.444 416 Q N 0.144 119.944 119.800 -0.000 0.000 2.137 416 Q HA -0.048 4.293 4.340 0.002 0.000 0.198 416 Q C 1.770 177.770 176.000 -0.000 0.000 0.960 416 Q CA 1.159 56.954 55.803 -0.012 0.000 0.847 416 Q CB -0.043 28.681 28.738 -0.023 0.000 0.915 416 Q HN 0.436 nan 8.270 nan 0.000 0.448 417 L N -0.425 120.814 121.223 0.027 0.000 2.141 417 L HA -0.140 4.201 4.340 0.002 0.000 0.209 417 L C 2.135 179.089 176.870 0.140 0.000 1.094 417 L CA 0.780 55.659 54.840 0.065 0.000 0.763 417 L CB -0.313 41.790 42.059 0.073 0.000 0.908 417 L HN 0.264 nan 8.230 nan 0.000 0.437 418 L N -1.296 120.011 121.223 0.140 0.000 2.095 418 L HA -0.114 4.227 4.340 0.002 0.000 0.204 418 L C 2.683 179.604 176.870 0.085 0.000 1.080 418 L CA 0.830 55.803 54.840 0.220 0.000 0.759 418 L CB -0.240 41.910 42.059 0.151 0.000 0.914 418 L HN 0.127 nan 8.230 nan 0.000 0.439 419 S N -0.465 115.246 115.700 0.018 0.000 2.382 419 S HA -0.217 4.254 4.470 0.002 0.000 0.228 419 S C 2.021 176.566 174.600 -0.091 0.000 1.027 419 S CA 1.324 59.504 58.200 -0.034 0.000 0.991 419 S CB -0.234 62.944 63.200 -0.036 0.000 0.823 419 S HN 0.256 nan 8.310 nan 0.000 0.469 420 R N 1.601 122.040 120.500 -0.101 0.000 2.073 420 R HA 0.060 4.401 4.340 0.002 0.000 0.229 420 R C 2.306 178.455 176.300 -0.251 0.000 1.120 420 R CA 1.650 57.664 56.100 -0.143 0.000 0.967 420 R CB -1.249 28.987 30.300 -0.106 0.000 0.862 420 R HN 0.351 nan 8.270 nan 0.000 0.436 421 G N -0.077 108.482 108.800 -0.401 0.000 2.422 421 G HA2 -0.201 3.760 3.960 0.002 0.000 0.218 421 G HA3 -0.201 3.760 3.960 0.002 0.000 0.218 421 G C 1.369 175.658 174.900 -1.019 0.000 1.146 421 G CA 1.188 45.684 45.100 -1.006 0.000 0.769 421 G HN 0.332 nan 8.290 nan 0.000 0.547 422 V N -1.300 118.257 119.914 -0.595 0.000 2.548 422 V HA 0.080 4.201 4.120 0.002 0.000 0.249 422 V C 2.560 178.546 176.094 -0.179 0.000 1.055 422 V CA 1.645 63.783 62.300 -0.271 0.000 1.065 422 V CB -0.550 31.231 31.823 -0.071 0.000 0.681 422 V HN 0.257 nan 8.190 nan 0.000 0.462 423 R N 0.075 120.468 120.500 -0.179 0.000 2.119 423 R HA 0.256 4.597 4.340 0.002 0.000 0.222 423 R C 2.334 178.562 176.300 -0.120 0.000 1.088 423 R CA 1.257 57.280 56.100 -0.128 0.000 0.984 423 R CB -0.392 29.830 30.300 -0.130 0.000 0.884 423 R HN 0.440 nan 8.270 nan 0.000 0.447 424 L N -0.127 121.001 121.223 -0.159 0.000 2.093 424 L HA -0.135 4.206 4.340 0.002 0.000 0.208 424 L C 2.063 178.877 176.870 -0.094 0.000 1.085 424 L CA 1.277 56.044 54.840 -0.121 0.000 0.755 424 L CB -0.536 41.438 42.059 -0.142 0.000 0.904 424 L HN 0.217 nan 8.230 nan 0.000 0.435 425 T N -0.958 113.518 114.554 -0.130 0.000 2.833 425 T HA -0.158 4.193 4.350 0.002 0.000 0.269 425 T C 1.767 176.449 174.700 -0.030 0.000 1.054 425 T CA 1.047 63.109 62.100 -0.063 0.000 1.135 425 T CB -0.101 68.733 68.868 -0.056 0.000 0.869 425 T HN 0.276 nan 8.240 nan 0.000 0.466 426 E N 0.938 121.114 120.200 -0.040 0.000 2.150 426 E HA 0.044 4.395 4.350 0.002 0.000 0.193 426 E C 2.189 178.789 176.600 -0.001 0.000 0.985 426 E CA 0.585 56.976 56.400 -0.016 0.000 0.814 426 E CB -0.256 29.433 29.700 -0.018 0.000 0.752 426 E HN 0.479 nan 8.360 nan 0.000 0.466 427 L N 0.364 121.584 121.223 -0.005 0.000 2.291 427 L HA -0.063 4.278 4.340 0.002 0.000 0.214 427 L C 2.193 179.073 176.870 0.016 0.000 1.120 427 L CA 0.392 55.241 54.840 0.015 0.000 0.799 427 L CB -0.140 41.927 42.059 0.015 0.000 0.925 427 L HN 0.070 nan 8.230 nan 0.000 0.446 428 L N -0.740 120.488 121.223 0.007 0.000 2.554 428 L HA 0.003 4.344 4.340 0.002 0.000 0.226 428 L C 0.846 177.723 176.870 0.012 0.000 1.137 428 L CA 0.214 55.061 54.840 0.013 0.000 0.863 428 L CB -0.174 41.894 42.059 0.015 0.000 0.985 428 L HN 0.115 nan 8.230 nan 0.000 0.451 429 K N 1.004 121.409 120.400 0.007 0.000 2.295 429 K HA 0.281 4.603 4.320 0.002 0.000 0.270 429 K C -0.219 176.381 176.600 -0.001 0.000 1.011 429 K CA 0.175 56.462 56.287 0.000 0.000 0.953 429 K CB 0.860 33.357 32.500 -0.004 0.000 0.956 429 K HN -0.046 nan 8.250 nan 0.000 0.477 430 Q N 0.341 120.134 119.800 -0.012 0.000 2.403 430 Q HA 0.303 4.644 4.340 0.002 0.000 0.267 430 Q C -0.933 175.044 176.000 -0.039 0.000 0.991 430 Q CA -0.593 55.200 55.803 -0.017 0.000 0.906 430 Q CB 1.759 30.489 28.738 -0.013 0.000 1.422 430 Q HN 0.810 nan 8.270 nan 0.000 0.400 431 G N 1.538 110.313 108.800 -0.042 0.000 2.616 431 G HA2 0.252 4.213 3.960 0.002 0.000 0.268 431 G HA3 0.252 4.213 3.960 0.002 0.000 0.268 431 G C -0.571 174.256 174.900 -0.122 0.000 1.213 431 G CA -0.195 44.863 45.100 -0.069 0.000 0.926 431 G HN 0.577 nan 8.290 nan 0.000 0.523 432 Q N -1.442 118.222 119.800 -0.226 0.000 2.260 432 Q HA 0.329 4.670 4.340 0.002 0.000 0.238 432 Q C -0.435 175.357 176.000 -0.346 0.000 0.948 432 Q CA -0.349 55.157 55.803 -0.495 0.000 0.895 432 Q CB 0.827 28.936 28.738 -1.049 0.000 1.218 432 Q HN 0.653 nan 8.270 nan 0.000 0.470 433 Y N -1.421 118.877 120.300 -0.004 0.000 4.798 433 Y HA -0.262 4.289 4.550 0.002 0.000 0.237 433 Y C 0.064 175.955 175.900 -0.014 0.000 1.017 433 Y CA 0.242 58.335 58.100 -0.012 0.000 2.010 433 Y CB -1.668 36.782 38.460 -0.016 0.000 1.582 433 Y HN 0.344 nan 8.280 nan 0.000 0.621 434 S N 0.386 116.128 115.700 0.070 0.000 2.399 434 S HA 0.233 4.705 4.470 0.002 0.000 0.198 434 S C -2.226 172.379 174.600 0.008 0.000 1.294 434 S CA -0.855 57.367 58.200 0.037 0.000 1.237 434 S CB 0.845 64.061 63.200 0.026 0.000 1.286 434 S HN 0.085 nan 8.310 nan 0.000 0.404 435 P HA 0.150 nan 4.420 nan 0.000 0.267 435 P C -0.585 176.706 177.300 -0.015 0.000 1.200 435 P CA -0.016 63.085 63.100 0.001 0.000 0.772 435 P CB 0.487 32.195 31.700 0.013 0.000 0.855 436 M N 1.384 120.977 119.600 -0.012 0.000 2.404 436 M HA 0.465 4.946 4.480 0.002 0.000 0.338 436 M C 0.515 176.799 176.300 -0.026 0.000 1.150 436 M CA -0.843 54.443 55.300 -0.023 0.000 1.016 436 M CB 1.884 34.477 32.600 -0.012 0.000 1.672 436 M HN 0.353 nan 8.290 nan 0.000 0.448 437 A N 1.850 124.641 122.820 -0.049 0.000 2.520 437 A HA 0.064 4.385 4.320 0.002 0.000 0.235 437 A C 1.004 178.581 177.584 -0.011 0.000 1.065 437 A CA -0.227 51.781 52.037 -0.049 0.000 0.764 437 A CB -0.005 18.951 19.000 -0.074 0.000 1.002 437 A HN 0.949 nan 8.150 nan 0.000 0.502 438 I N 0.963 121.544 120.570 0.018 0.000 2.264 438 I HA -0.215 3.956 4.170 0.002 0.000 0.248 438 I C 2.484 178.608 176.117 0.012 0.000 1.111 438 I CA 2.373 63.691 61.300 0.029 0.000 1.382 438 I CB -0.324 37.706 38.000 0.049 0.000 1.060 438 I HN 0.855 nan 8.210 nan 0.000 0.418 439 E N 0.366 120.564 120.200 -0.004 0.000 2.150 439 E HA -0.247 4.104 4.350 0.002 0.000 0.193 439 E C 1.724 178.307 176.600 -0.028 0.000 0.985 439 E CA 1.438 57.827 56.400 -0.020 0.000 0.814 439 E CB -0.700 28.979 29.700 -0.035 0.000 0.752 439 E HN 0.648 nan 8.360 nan 0.000 0.466 440 E N 0.754 120.934 120.200 -0.034 0.000 2.152 440 E HA -0.116 4.235 4.350 0.002 0.000 0.192 440 E C 2.263 178.865 176.600 0.003 0.000 0.983 440 E CA 0.796 57.172 56.400 -0.041 0.000 0.818 440 E CB -0.017 29.648 29.700 -0.058 0.000 0.758 440 E HN 0.415 nan 8.360 nan 0.000 0.467 441 Q N 0.324 120.133 119.800 0.015 0.000 2.119 441 Q HA -0.092 4.249 4.340 0.002 0.000 0.201 441 Q C 2.347 178.384 176.000 0.062 0.000 0.972 441 Q CA 0.865 56.690 55.803 0.038 0.000 0.847 441 Q CB -0.002 28.755 28.738 0.032 0.000 0.903 441 Q HN 0.127 nan 8.270 nan 0.000 0.433 442 V N 0.587 120.532 119.914 0.052 0.000 2.626 442 V HA -0.183 3.938 4.120 0.002 0.000 0.252 442 V C 1.941 178.104 176.094 0.115 0.000 1.067 442 V CA 1.668 64.012 62.300 0.073 0.000 1.081 442 V CB -0.308 31.540 31.823 0.041 0.000 0.686 442 V HN 0.387 nan 8.190 nan 0.000 0.468 443 A N -0.157 122.722 122.820 0.097 0.000 1.898 443 A HA -0.073 4.248 4.320 0.002 0.000 0.214 443 A C 2.300 180.091 177.584 0.345 0.000 1.183 443 A CA 1.861 54.000 52.037 0.170 0.000 0.622 443 A CB -0.599 18.445 19.000 0.073 0.000 0.824 443 A HN 0.698 nan 8.150 nan 0.000 0.444 444 V N -1.808 118.264 119.914 0.264 0.000 2.379 444 V HA -0.132 3.989 4.120 0.002 0.000 0.245 444 V C 2.210 178.402 176.094 0.164 0.000 1.044 444 V CA 1.782 64.233 62.300 0.252 0.000 1.036 444 V CB -0.928 31.003 31.823 0.180 0.000 0.664 444 V HN 0.426 nan 8.190 nan 0.000 0.453 445 I N -0.631 120.023 120.570 0.140 0.000 2.394 445 I HA -0.169 4.002 4.170 0.002 0.000 0.251 445 I C 2.559 178.747 176.117 0.119 0.000 1.136 445 I CA 2.122 63.483 61.300 0.101 0.000 1.425 445 I CB -0.470 37.580 38.000 0.083 0.000 1.079 445 I HN 0.388 nan 8.210 nan 0.000 0.425 446 Y N 1.783 122.112 120.300 0.049 0.000 2.151 446 Y HA -0.360 4.191 4.550 0.002 0.000 0.284 446 Y C 2.519 178.454 175.900 0.058 0.000 1.166 446 Y CA 1.646 59.776 58.100 0.051 0.000 1.163 446 Y CB -0.303 38.190 38.460 0.054 0.000 0.974 446 Y HN 0.142 nan 8.280 nan 0.000 0.511 447 A N -0.102 122.786 122.820 0.114 0.000 1.877 447 A HA -0.112 4.209 4.320 0.002 0.000 0.216 447 A C 2.471 180.060 177.584 0.008 0.000 1.186 447 A CA 1.802 53.847 52.037 0.015 0.000 0.620 447 A CB -1.668 17.246 19.000 -0.144 0.000 0.822 447 A HN 0.587 nan 8.150 nan 0.000 0.443 448 G N -1.059 107.724 108.800 -0.029 0.000 2.403 448 G HA2 -0.006 3.956 3.960 0.002 0.000 0.216 448 G HA3 -0.006 3.956 3.960 0.002 0.000 0.216 448 G C 1.473 176.318 174.900 -0.091 0.000 1.154 448 G CA 1.105 46.164 45.100 -0.068 0.000 0.784 448 G HN 0.304 nan 8.290 nan 0.000 0.538 449 V N 0.664 120.523 119.914 -0.090 0.000 2.379 449 V HA -0.022 4.099 4.120 0.002 0.000 0.245 449 V C 2.794 178.791 176.094 -0.160 0.000 1.044 449 V CA 1.215 63.450 62.300 -0.109 0.000 1.036 449 V CB -0.250 31.525 31.823 -0.081 0.000 0.664 449 V HN 0.194 nan 8.190 nan 0.000 0.453 450 R N 0.170 120.535 120.500 -0.226 0.000 2.276 450 R HA 0.146 4.487 4.340 0.002 0.000 0.203 450 R C 1.445 177.550 176.300 -0.325 0.000 1.017 450 R CA 0.820 56.760 56.100 -0.267 0.000 1.010 450 R CB -0.441 29.651 30.300 -0.346 0.000 0.900 450 R HN 0.603 nan 8.270 nan 0.000 0.469 451 G N 0.627 109.262 108.800 -0.274 0.000 2.288 451 G HA2 -0.247 3.714 3.960 0.002 0.000 0.205 451 G HA3 -0.247 3.714 3.960 0.002 0.000 0.205 451 G C -0.136 174.496 174.900 -0.448 0.000 1.071 451 G CA -0.389 44.516 45.100 -0.324 0.000 0.788 451 G HN 0.380 nan 8.290 nan 0.000 0.491 452 Y N -0.639 119.540 120.300 -0.202 0.000 2.555 452 Y HA 0.504 5.055 4.550 0.002 0.000 0.259 452 Y C 2.075 177.772 175.900 -0.338 0.000 1.179 452 Y CA 0.050 58.018 58.100 -0.221 0.000 1.230 452 Y CB 0.545 38.889 38.460 -0.192 0.000 1.146 452 Y HN 0.363 nan 8.280 nan 0.000 0.526 453 L N -1.266 119.832 121.223 -0.210 0.000 2.920 453 L HA 0.128 4.469 4.340 0.002 0.000 0.257 453 L C 0.977 177.722 176.870 -0.208 0.000 1.150 453 L CA 0.029 54.695 54.840 -0.291 0.000 0.959 453 L CB 0.343 42.243 42.059 -0.265 0.000 1.321 453 L HN 0.030 nan 8.230 nan 0.000 0.555 454 D N 1.467 121.761 120.400 -0.176 0.000 2.123 454 D HA -0.185 4.456 4.640 0.002 0.000 0.196 454 D C 1.855 178.086 176.300 -0.114 0.000 0.992 454 D CA 1.427 55.344 54.000 -0.138 0.000 0.833 454 D CB 0.126 40.843 40.800 -0.139 0.000 0.954 454 D HN 0.245 nan 8.370 nan 0.000 0.455 455 K N -0.230 120.100 120.400 -0.116 0.000 2.296 455 K HA 0.077 4.398 4.320 0.002 0.000 0.200 455 K C 0.778 177.334 176.600 -0.074 0.000 1.048 455 K CA 0.066 56.304 56.287 -0.083 0.000 0.966 455 K CB 0.212 32.670 32.500 -0.070 0.000 0.754 455 K HN 0.117 nan 8.250 nan 0.000 0.466 456 L N 2.496 123.653 121.223 -0.109 0.000 2.417 456 L HA 0.055 4.396 4.340 0.002 0.000 0.268 456 L C 0.581 177.410 176.870 -0.067 0.000 1.158 456 L CA -0.467 54.319 54.840 -0.090 0.000 0.819 456 L CB 0.549 42.500 42.059 -0.179 0.000 1.112 456 L HN 0.221 nan 8.230 nan 0.000 0.458 457 E N 3.145 123.330 120.200 -0.025 0.000 2.366 457 E HA 0.130 4.481 4.350 0.002 0.000 0.266 457 E C -2.048 174.541 176.600 -0.018 0.000 1.051 457 E CA -1.757 54.634 56.400 -0.016 0.000 0.884 457 E CB 0.670 30.373 29.700 0.005 0.000 1.006 457 E HN 0.361 nan 8.360 nan 0.000 0.417 458 P HA -0.234 nan 4.420 nan 0.000 0.218 458 P C 1.362 178.663 177.300 0.001 0.000 1.148 458 P CA 1.554 64.642 63.100 -0.020 0.000 0.822 458 P CB -0.001 31.690 31.700 -0.015 0.000 0.784 459 S N -0.908 114.801 115.700 0.013 0.000 2.515 459 S HA 0.003 4.474 4.470 0.002 0.000 0.231 459 S C 1.599 176.227 174.600 0.048 0.000 0.987 459 S CA 0.609 58.825 58.200 0.026 0.000 0.936 459 S CB -0.627 62.588 63.200 0.024 0.000 0.766 459 S HN 0.208 nan 8.310 nan 0.000 0.528 460 K N -0.004 120.433 120.400 0.061 0.000 2.387 460 K HA 0.361 4.682 4.320 0.002 0.000 0.203 460 K C 0.715 177.393 176.600 0.130 0.000 1.030 460 K CA -0.248 56.111 56.287 0.119 0.000 1.099 460 K CB 0.265 32.860 32.500 0.159 0.000 0.863 460 K HN 0.246 nan 8.250 nan 0.000 0.529 461 I N 1.208 121.816 120.570 0.064 0.000 2.163 461 I HA -0.204 3.967 4.170 0.002 0.000 0.240 461 I C 1.922 178.110 176.117 0.118 0.000 1.081 461 I CA 1.678 63.009 61.300 0.053 0.000 1.353 461 I CB -1.302 36.694 38.000 -0.007 0.000 1.054 461 I HN 0.097 nan 8.210 nan 0.000 0.407 462 T N 1.024 115.630 114.554 0.087 0.000 2.665 462 T HA -0.270 4.081 4.350 0.002 0.000 0.268 462 T C 1.985 176.753 174.700 0.113 0.000 1.035 462 T CA 1.816 63.966 62.100 0.083 0.000 1.151 462 T CB -0.227 68.673 68.868 0.054 0.000 0.862 462 T HN 0.304 nan 8.240 nan 0.000 0.438 463 K N -0.106 120.383 120.400 0.149 0.000 2.097 463 K HA -0.068 4.253 4.320 0.002 0.000 0.205 463 K C 2.107 178.847 176.600 0.233 0.000 1.050 463 K CA 1.060 57.467 56.287 0.201 0.000 0.938 463 K CB -0.282 32.368 32.500 0.251 0.000 0.718 463 K HN 0.365 nan 8.250 nan 0.000 0.442 464 F N 2.178 122.126 119.950 -0.005 0.000 2.134 464 F HA -0.179 4.349 4.527 0.002 0.000 0.299 464 F C 2.270 178.008 175.800 -0.104 0.000 1.097 464 F CA 1.833 59.619 58.000 -0.358 0.000 1.264 464 F CB -0.197 38.474 39.000 -0.548 0.000 1.001 464 F HN 0.150 nan 8.300 nan 0.000 0.479 465 E N 0.391 120.644 120.200 0.088 0.000 2.038 465 E HA -0.301 4.050 4.350 0.002 0.000 0.195 465 E C 1.865 178.458 176.600 -0.011 0.000 1.000 465 E CA 2.018 58.461 56.400 0.071 0.000 0.803 465 E CB -0.437 29.338 29.700 0.125 0.000 0.750 465 E HN 0.641 nan 8.360 nan 0.000 0.448 466 N N -0.098 118.607 118.700 0.008 0.000 2.166 466 N HA -0.135 4.606 4.740 0.002 0.000 0.186 466 N C 1.789 177.288 175.510 -0.019 0.000 1.019 466 N CA 0.873 53.922 53.050 -0.001 0.000 0.856 466 N CB -0.118 38.389 38.487 0.033 0.000 0.993 466 N HN 0.177 nan 8.380 nan 0.000 0.426 467 A N 0.557 123.385 122.820 0.013 0.000 1.929 467 A HA -0.095 4.226 4.320 0.002 0.000 0.216 467 A C 1.881 179.414 177.584 -0.085 0.000 1.176 467 A CA 0.765 52.869 52.037 0.113 0.000 0.628 467 A CB -0.655 18.584 19.000 0.397 0.000 0.816 467 A HN 0.389 nan 8.150 nan 0.000 0.444 468 F N -0.123 119.456 119.950 -0.618 0.000 2.206 468 F HA -0.018 4.510 4.527 0.002 0.000 0.298 468 F C 1.688 177.148 175.800 -0.566 0.000 1.090 468 F CA 1.188 58.532 58.000 -1.092 0.000 1.323 468 F CB -0.208 38.108 39.000 -1.140 0.000 1.028 468 F HN 0.173 nan 8.300 nan 0.000 0.492 469 L N 0.480 121.428 121.223 -0.458 0.000 2.027 469 L HA -0.136 4.205 4.340 0.002 0.000 0.206 469 L C 2.731 179.396 176.870 -0.341 0.000 1.074 469 L CA 2.197 56.790 54.840 -0.411 0.000 0.745 469 L CB -1.153 40.797 42.059 -0.181 0.000 0.898 469 L HN 0.304 nan 8.230 nan 0.000 0.433 470 S N -2.099 113.468 115.700 -0.222 0.000 2.419 470 S HA -0.266 4.206 4.470 0.002 0.000 0.233 470 S C 2.108 176.610 174.600 -0.163 0.000 1.016 470 S CA 1.172 59.284 58.200 -0.147 0.000 0.974 470 S CB -0.970 62.194 63.200 -0.060 0.000 0.786 470 S HN 0.662 nan 8.310 nan 0.000 0.492 471 H N 2.060 120.926 119.070 -0.341 0.000 2.333 471 H HA -0.043 4.514 4.556 0.002 0.000 0.302 471 H C 2.243 177.383 175.328 -0.313 0.000 1.075 471 H CA 2.102 57.962 56.048 -0.314 0.000 1.348 471 H CB -0.173 29.292 29.762 -0.496 0.000 1.393 471 H HN 0.432 nan 8.280 nan 0.000 0.509 472 V N -0.666 118.935 119.914 -0.522 0.000 2.548 472 V HA -0.124 3.997 4.120 0.002 0.000 0.249 472 V C 2.662 178.574 176.094 -0.303 0.000 1.055 472 V CA 1.401 63.449 62.300 -0.421 0.000 1.065 472 V CB -0.817 30.681 31.823 -0.542 0.000 0.681 472 V HN 0.247 nan 8.190 nan 0.000 0.462 473 I N 0.955 121.353 120.570 -0.287 0.000 2.163 473 I HA -0.183 3.988 4.170 0.002 0.000 0.240 473 I C 2.928 178.926 176.117 -0.198 0.000 1.081 473 I CA 1.994 63.171 61.300 -0.206 0.000 1.353 473 I CB -0.492 37.406 38.000 -0.171 0.000 1.054 473 I HN 0.376 nan 8.210 nan 0.000 0.407 474 S N -0.284 115.288 115.700 -0.215 0.000 2.368 474 S HA -0.164 4.307 4.470 0.002 0.000 0.224 474 S C 2.014 176.460 174.600 -0.257 0.000 1.029 474 S CA 1.290 59.373 58.200 -0.195 0.000 0.988 474 S CB 0.006 63.114 63.200 -0.154 0.000 0.838 474 S HN 0.340 nan 8.310 nan 0.000 0.462 475 Q N 0.024 119.583 119.800 -0.402 0.000 2.159 475 Q HA 0.111 4.452 4.340 0.002 0.000 0.194 475 Q C 0.186 175.829 176.000 -0.595 0.000 0.968 475 Q CA 1.003 56.459 55.803 -0.579 0.000 0.837 475 Q CB -0.385 27.805 28.738 -0.913 0.000 0.920 475 Q HN 0.686 nan 8.270 nan 0.000 0.485 476 H N 1.109 120.018 119.070 -0.267 0.000 2.482 476 H HA 0.215 4.772 4.556 0.002 0.000 0.231 476 H C 0.824 176.052 175.328 -0.167 0.000 1.612 476 H CA -0.192 55.742 56.048 -0.190 0.000 1.279 476 H CB 0.639 30.291 29.762 -0.183 0.000 1.562 476 H HN 0.065 nan 8.280 nan 0.000 0.553 477 Q N 1.231 120.984 119.800 -0.078 0.000 2.245 477 Q HA 0.005 4.347 4.340 0.002 0.000 0.201 477 Q C 2.192 178.163 176.000 -0.049 0.000 0.955 477 Q CA 0.858 56.616 55.803 -0.075 0.000 0.870 477 Q CB 0.173 28.861 28.738 -0.085 0.000 0.945 477 Q HN 0.715 nan 8.270 nan 0.000 0.461 478 A N 0.826 123.628 122.820 -0.031 0.000 1.933 478 A HA -0.133 4.188 4.320 0.002 0.000 0.218 478 A C 2.092 179.661 177.584 -0.025 0.000 1.175 478 A CA 0.922 52.945 52.037 -0.023 0.000 0.628 478 A CB -0.581 18.413 19.000 -0.010 0.000 0.814 478 A HN 0.334 nan 8.150 nan 0.000 0.444 479 L N -0.807 120.402 121.223 -0.023 0.000 2.095 479 L HA -0.034 4.307 4.340 0.002 0.000 0.204 479 L C 2.451 179.282 176.870 -0.064 0.000 1.080 479 L CA 0.923 55.732 54.840 -0.051 0.000 0.759 479 L CB -0.229 41.783 42.059 -0.079 0.000 0.914 479 L HN 0.398 nan 8.230 nan 0.000 0.439 480 L N -0.492 120.691 121.223 -0.067 0.000 2.093 480 L HA -0.186 4.155 4.340 0.002 0.000 0.208 480 L C 3.002 179.838 176.870 -0.057 0.000 1.085 480 L CA 1.321 56.117 54.840 -0.073 0.000 0.755 480 L CB -0.795 41.210 42.059 -0.089 0.000 0.904 480 L HN 0.373 nan 8.230 nan 0.000 0.435 481 S N 0.266 115.936 115.700 -0.050 0.000 2.368 481 S HA -0.240 4.231 4.470 0.002 0.000 0.224 481 S C 2.132 176.713 174.600 -0.032 0.000 1.029 481 S CA 1.768 59.943 58.200 -0.040 0.000 0.988 481 S CB -0.209 nan 63.200 nan 0.000 0.838 481 S HN 0.101 nan 8.310 nan 0.000 0.462 482 K N 0.891 121.271 120.400 -0.033 0.000 2.057 482 K HA 0.169 4.490 4.320 0.002 0.000 0.206 482 K C 1.675 178.258 176.600 -0.028 0.000 1.050 482 K CA 0.932 57.202 56.287 -0.028 0.000 0.935 482 K CB -0.429 32.053 32.500 -0.029 0.000 0.715 482 K HN 0.547 nan 8.250 nan 0.000 0.439 483 I N 0.098 120.646 120.570 -0.037 0.000 2.226 483 I HA -0.263 3.908 4.170 0.002 0.000 0.245 483 I C 2.567 178.672 176.117 -0.021 0.000 1.100 483 I CA 1.169 62.449 61.300 -0.034 0.000 1.374 483 I CB -0.249 37.722 38.000 -0.049 0.000 1.057 483 I HN 0.185 nan 8.210 nan 0.000 0.413 484 R N 0.514 121.002 120.500 -0.020 0.000 2.081 484 R HA -0.160 4.181 4.340 0.002 0.000 0.235 484 R C 2.218 178.518 176.300 -0.001 0.000 1.131 484 R CA 2.145 58.240 56.100 -0.007 0.000 0.960 484 R CB -0.209 30.084 30.300 -0.012 0.000 0.856 484 R HN 0.311 nan 8.270 nan 0.000 0.436 485 T N 0.501 115.051 114.554 -0.008 0.000 2.809 485 T HA -0.059 4.292 4.350 0.002 0.000 0.260 485 T C 1.051 175.747 174.700 -0.006 0.000 1.039 485 T CA 1.378 63.474 62.100 -0.006 0.000 1.141 485 T CB -0.244 68.618 68.868 -0.009 0.000 0.869 485 T HN 0.286 nan 8.240 nan 0.000 0.437 486 D N 0.680 121.074 120.400 -0.009 0.000 2.224 486 D HA 0.141 4.782 4.640 0.002 0.000 0.205 486 D C 1.746 178.042 176.300 -0.007 0.000 0.965 486 D CA 1.064 55.059 54.000 -0.008 0.000 0.852 486 D CB -0.615 40.179 40.800 -0.010 0.000 0.947 486 D HN 0.500 nan 8.370 nan 0.000 0.494 487 G N 0.577 109.373 108.800 -0.006 0.000 2.168 487 G HA2 -0.328 3.633 3.960 0.002 0.000 0.257 487 G HA3 -0.328 3.633 3.960 0.002 0.000 0.257 487 G C 0.358 175.257 174.900 -0.002 0.000 0.997 487 G CA 0.723 45.820 45.100 -0.004 0.000 0.708 487 G HN 0.478 nan 8.290 nan 0.000 0.520 488 K N -0.600 119.799 120.400 -0.003 0.000 2.551 488 K HA 0.606 4.927 4.320 0.002 0.000 0.269 488 K C -0.829 175.769 176.600 -0.004 0.000 0.949 488 K CA -1.188 55.100 56.287 0.001 0.000 0.849 488 K CB 1.247 33.749 32.500 0.002 0.000 1.411 488 K HN 0.087 nan 8.250 nan 0.000 0.432 489 I N 3.641 124.213 120.570 0.004 0.000 2.307 489 I HA 0.120 4.291 4.170 0.002 0.000 0.287 489 I C 0.509 176.631 176.117 0.008 0.000 1.054 489 I CA -0.483 60.814 61.300 -0.004 0.000 1.218 489 I CB 1.213 39.215 38.000 0.005 0.000 1.398 489 I HN 0.574 nan 8.210 nan 0.000 0.475 490 S N 3.572 119.271 115.700 -0.001 0.000 2.634 490 S HA 0.236 4.707 4.470 0.002 0.000 0.261 490 S C 0.972 175.578 174.600 0.011 0.000 1.271 490 S CA -0.577 57.626 58.200 0.006 0.000 0.985 490 S CB 1.232 64.433 63.200 0.000 0.000 0.968 490 S HN 0.629 nan 8.310 nan 0.000 0.568 491 E N 0.276 120.486 120.200 0.016 0.000 2.118 491 E HA -0.207 4.144 4.350 0.002 0.000 0.195 491 E C 1.893 178.503 176.600 0.016 0.000 0.992 491 E CA 1.437 57.851 56.400 0.023 0.000 0.804 491 E CB -0.151 29.562 29.700 0.022 0.000 0.741 491 E HN 0.809 nan 8.360 nan 0.000 0.458 492 E N 0.712 120.916 120.200 0.006 0.000 2.077 492 E HA -0.132 4.219 4.350 0.002 0.000 0.193 492 E C 1.952 178.544 176.600 -0.014 0.000 0.989 492 E CA 1.653 58.053 56.400 -0.000 0.000 0.800 492 E CB -0.182 29.516 29.700 -0.003 0.000 0.746 492 E HN -0.033 nan 8.360 nan 0.000 0.452 493 S N 0.369 116.054 115.700 -0.024 0.000 2.383 493 S HA -0.120 4.351 4.470 0.002 0.000 0.227 493 S C 1.519 176.072 174.600 -0.078 0.000 1.026 493 S CA 1.114 59.281 58.200 -0.055 0.000 0.981 493 S CB -0.418 62.748 63.200 -0.057 0.000 0.818 493 S HN 0.388 nan 8.310 nan 0.000 0.472 494 D N 1.604 121.987 120.400 -0.028 0.000 2.097 494 D HA 0.014 4.655 4.640 0.002 0.000 0.197 494 D C 2.028 178.357 176.300 0.049 0.000 0.984 494 D CA 1.257 55.269 54.000 0.019 0.000 0.826 494 D CB -0.274 40.581 40.800 0.092 0.000 0.973 494 D HN 0.313 nan 8.370 nan 0.000 0.460 495 A N 0.240 123.083 122.820 0.038 0.000 1.930 495 A HA -0.130 4.192 4.320 0.002 0.000 0.217 495 A C 2.143 179.738 177.584 0.019 0.000 1.175 495 A CA 1.808 53.873 52.037 0.046 0.000 0.627 495 A CB -0.416 18.607 19.000 0.037 0.000 0.815 495 A HN 0.154 nan 8.150 nan 0.000 0.443 496 K N -0.553 119.835 120.400 -0.020 0.000 2.057 496 K HA -0.042 4.279 4.320 0.002 0.000 0.206 496 K C 1.672 178.212 176.600 -0.100 0.000 1.050 496 K CA 1.222 57.477 56.287 -0.052 0.000 0.935 496 K CB -0.440 32.023 32.500 -0.062 0.000 0.715 496 K HN 0.305 nan 8.250 nan 0.000 0.439 497 L N 1.166 122.305 121.223 -0.141 0.000 2.156 497 L HA -0.001 4.340 4.340 0.002 0.000 0.208 497 L C 2.057 178.875 176.870 -0.085 0.000 1.095 497 L CA 1.655 56.359 54.840 -0.226 0.000 0.770 497 L CB -0.504 41.246 42.059 -0.514 0.000 0.914 497 L HN 0.184 nan 8.230 nan 0.000 0.439 498 K N -0.683 119.749 120.400 0.053 0.000 2.032 498 K HA -0.198 4.123 4.320 0.002 0.000 0.209 498 K C 1.889 178.534 176.600 0.077 0.000 1.048 498 K CA 1.570 57.958 56.287 0.168 0.000 0.927 498 K CB -0.009 32.617 32.500 0.210 0.000 0.712 498 K HN 0.332 nan 8.250 nan 0.000 0.441 499 E N 0.521 120.749 120.200 0.046 0.000 2.106 499 E HA -0.148 4.203 4.350 0.002 0.000 0.192 499 E C 2.110 178.734 176.600 0.040 0.000 0.984 499 E CA 1.001 57.431 56.400 0.049 0.000 0.806 499 E CB -0.075 29.647 29.700 0.038 0.000 0.750 499 E HN 0.429 nan 8.360 nan 0.000 0.458 500 I N 0.618 121.178 120.570 -0.017 0.000 2.202 500 I HA -0.227 3.945 4.170 0.002 0.000 0.242 500 I C 2.389 178.592 176.117 0.143 0.000 1.091 500 I CA 0.758 62.069 61.300 0.018 0.000 1.368 500 I CB -0.210 37.669 38.000 -0.202 0.000 1.058 500 I HN -0.081 nan 8.210 nan 0.000 0.410 501 V N 0.165 120.091 119.914 0.020 0.000 2.427 501 V HA -0.218 3.903 4.120 0.002 0.000 0.248 501 V C 2.449 178.491 176.094 -0.087 0.000 1.051 501 V CA 2.192 64.419 62.300 -0.122 0.000 1.048 501 V CB -1.102 30.345 31.823 -0.626 0.000 0.666 501 V HN 0.452 nan 8.190 nan 0.000 0.456 502 T N 0.587 115.116 114.554 -0.042 0.000 2.708 502 T HA -0.195 4.156 4.350 0.002 0.000 0.266 502 T C 1.697 176.490 174.700 0.154 0.000 1.037 502 T CA 2.118 64.312 62.100 0.157 0.000 1.146 502 T CB -0.489 68.499 68.868 0.201 0.000 0.865 502 T HN 0.611 nan 8.240 nan 0.000 0.435 503 N N 0.001 118.790 118.700 0.147 0.000 2.331 503 N HA 0.037 4.778 4.740 0.002 0.000 0.180 503 N C 1.488 177.093 175.510 0.159 0.000 1.019 503 N CA 0.524 53.662 53.050 0.147 0.000 0.881 503 N CB -0.145 38.436 38.487 0.157 0.000 0.972 503 N HN 0.268 nan 8.380 nan 0.000 0.435 504 F N 1.161 121.136 119.950 0.043 0.000 2.270 504 F HA 0.087 4.615 4.527 0.002 0.000 0.295 504 F C 1.888 177.781 175.800 0.154 0.000 1.087 504 F CA 0.335 58.334 58.000 -0.003 0.000 1.365 504 F CB -0.064 38.876 39.000 -0.100 0.000 1.056 504 F HN -0.080 nan 8.300 nan 0.000 0.506 505 L N 0.759 122.137 121.223 0.258 0.000 2.083 505 L HA -0.043 4.298 4.340 0.002 0.000 0.209 505 L C 2.367 179.308 176.870 0.119 0.000 1.083 505 L CA 2.067 57.048 54.840 0.235 0.000 0.752 505 L CB -1.195 40.991 42.059 0.212 0.000 0.899 505 L HN 0.144 nan 8.230 nan 0.000 0.433 506 A N -0.963 121.903 122.820 0.076 0.000 1.968 506 A HA 0.035 4.356 4.320 0.002 0.000 0.217 506 A C 2.282 179.857 177.584 -0.014 0.000 1.169 506 A CA 1.236 53.296 52.037 0.038 0.000 0.638 506 A CB -1.275 17.752 19.000 0.046 0.000 0.812 506 A HN 0.503 nan 8.150 nan 0.000 0.446 507 G N -1.311 107.442 108.800 -0.078 0.000 2.408 507 G HA2 0.050 4.011 3.960 0.002 0.000 0.215 507 G HA3 0.050 4.011 3.960 0.002 0.000 0.215 507 G C 0.502 175.271 174.900 -0.219 0.000 1.156 507 G CA 0.187 45.194 45.100 -0.156 0.000 0.793 507 G HN 0.396 nan 8.290 nan 0.000 0.535 508 F N 1.713 121.382 119.950 -0.467 0.000 2.533 508 F HA 0.322 4.850 4.527 0.002 0.000 0.378 508 F C 1.225 176.956 175.800 -0.116 0.000 1.070 508 F CA -0.216 57.579 58.000 -0.342 0.000 1.172 508 F CB 0.954 39.797 39.000 -0.262 0.000 1.085 508 F HN 0.234 nan 8.300 nan 0.000 0.552 509 E N 4.375 124.273 120.200 -0.504 0.000 2.098 509 E HA 0.406 4.757 4.350 0.002 0.000 0.196 509 E C -0.072 176.282 176.600 -0.410 0.000 0.955 509 E CA 0.321 56.529 56.400 -0.319 0.000 0.936 509 E CB 0.404 29.969 29.700 -0.226 0.000 1.054 509 E HN 0.650 nan 8.360 nan 0.000 0.482 510 A N 0.000 122.527 122.820 -0.488 0.000 2.254 510 A HA 0.000 4.321 4.320 0.002 0.000 0.244 510 A CA 0.000 51.837 52.037 -0.334 0.000 0.836 510 A CB 0.000 18.897 19.000 -0.171 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486