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 2f43_1_A DATA FIRST_RESID 23 DATA SEQUENCE VDLEETGRVL SIGDGIARVH GLRNVQAEEM VEFSSGLKGM SLNLEPDNVG DATA SEQUENCE VVVFGNDKLI KEGDIVKRTG AIVDVPVGDE LLGRVVDALG NAIDGKGPVG DATA SEQUENCE SKIRRRVGLK APGIIPRISV REPMQTGIKA VDSLVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTSIAIDT IINQKRFNDG TDEKKKLYCI YVAIGQKRST VAQLVKRLTD DATA SEQUENCE ADAMKYTIVV SATASDAAPL QYLAPYSGCS MGEYFRDNGK HALIIYDDLS DATA SEQUENCE KQAVAYRQMS LLLRRPPGRE AYPGDVFYLH SRLLERAAKM NDSFGGGSLT DATA SEQUENCE ALPVIETQAG DVSAYIPTNV ISITDGQIFL ETELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQTRA MKQVAGTMKL ELAQYREVAA FAQFGSDLDA ATQQLLSRGV DATA SEQUENCE RLTELLKQGQ YSPMAIEEQV AVIYAGVRGY LDKLEPSKIT KFESAFLSHV DATA SEQUENCE VSQHQSLLGN IRSDGKISEQ SDAKLKEIVT 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 0.000 176.100 176.094 0.011 0.000 1.182 23 V CA 0.000 62.306 62.300 0.011 0.000 1.235 23 V CB 0.000 31.828 31.823 0.008 0.000 1.184 24 D N 1.562 121.966 120.400 0.006 0.000 2.391 24 D HA 0.486 5.126 4.640 0.000 0.000 0.245 24 D C 0.603 176.903 176.300 -0.000 0.000 1.069 24 D CA -0.573 53.429 54.000 0.003 0.000 0.831 24 D CB 2.532 43.331 40.800 -0.002 0.000 1.204 24 D HN 0.326 nan 8.370 nan 0.000 0.503 25 L N 0.994 122.217 121.223 0.001 0.000 2.610 25 L HA -0.052 4.288 4.340 0.000 0.000 0.232 25 L C 2.011 178.860 176.870 -0.034 0.000 1.149 25 L CA 0.354 55.187 54.840 -0.012 0.000 0.872 25 L CB -0.281 41.772 42.059 -0.010 0.000 0.992 25 L HN 0.412 nan 8.230 nan 0.000 0.447 26 E N 0.917 121.103 120.200 -0.024 0.000 2.006 26 E HA -0.167 4.183 4.350 0.000 0.000 0.192 26 E C 1.686 178.269 176.600 -0.029 0.000 0.993 26 E CA 1.310 57.694 56.400 -0.027 0.000 0.808 26 E CB 0.208 29.897 29.700 -0.018 0.000 0.764 26 E HN 0.244 nan 8.360 nan 0.000 0.449 27 E N -0.271 119.915 120.200 -0.023 0.000 2.476 27 E HA 0.125 4.475 4.350 0.000 0.000 0.196 27 E C -0.027 176.555 176.600 -0.030 0.000 1.029 27 E CA 0.412 56.797 56.400 -0.025 0.000 0.896 27 E CB 0.874 30.563 29.700 -0.018 0.000 1.012 27 E HN 0.345 nan 8.360 nan 0.000 0.475 28 T N -3.097 111.440 114.554 -0.028 0.000 2.762 28 T HA 0.737 5.087 4.350 0.000 0.000 0.301 28 T C -0.106 174.582 174.700 -0.021 0.000 1.299 28 T CA -0.711 61.371 62.100 -0.030 0.000 1.005 28 T CB 2.271 71.129 68.868 -0.017 0.000 1.377 28 T HN -0.000 nan 8.240 nan 0.000 0.504 29 G N 0.568 109.360 108.800 -0.014 0.000 2.702 29 G HA2 0.589 4.549 3.960 0.000 0.000 0.296 29 G HA3 0.589 4.549 3.960 0.000 0.000 0.296 29 G C -1.408 173.520 174.900 0.047 0.000 1.463 29 G CA -1.170 43.945 45.100 0.024 0.000 0.890 29 G HN 0.924 nan 8.290 nan 0.000 0.534 30 R N 1.111 121.665 120.500 0.089 0.000 2.297 30 R HA 0.597 4.937 4.340 0.000 0.000 0.308 30 R C -0.262 176.097 176.300 0.098 0.000 1.029 30 R CA -0.656 55.491 56.100 0.079 0.000 0.929 30 R CB 1.614 31.947 30.300 0.055 0.000 1.046 30 R HN 0.201 nan 8.270 nan 0.000 0.461 31 V N 5.013 124.992 119.914 0.108 0.000 2.644 31 V HA -0.108 4.012 4.120 0.000 0.000 0.305 31 V C 1.538 177.670 176.094 0.063 0.000 1.053 31 V CA 0.568 62.939 62.300 0.118 0.000 1.186 31 V CB 0.207 32.117 31.823 0.145 0.000 0.895 31 V HN 0.789 nan 8.190 nan 0.000 0.490 32 L N 3.686 124.944 121.223 0.058 0.000 2.316 32 L HA 0.181 4.521 4.340 0.000 0.000 0.207 32 L C 0.929 177.804 176.870 0.008 0.000 1.070 32 L CA 0.842 55.689 54.840 0.011 0.000 0.820 32 L CB 0.284 42.355 42.059 0.020 0.000 0.992 32 L HN 0.873 nan 8.230 nan 0.000 0.466 33 S N -1.153 114.560 115.700 0.022 0.000 2.588 33 S HA 0.690 5.160 4.470 0.000 0.000 0.269 33 S C -1.157 173.444 174.600 0.003 0.000 1.157 33 S CA -0.754 57.449 58.200 0.005 0.000 0.824 33 S CB 2.658 65.856 63.200 -0.003 0.000 1.126 33 S HN -0.025 nan 8.310 nan 0.000 0.464 34 I N -0.614 119.943 120.570 -0.022 0.000 2.908 34 I HA 0.860 5.031 4.170 0.000 0.000 0.300 34 I C -0.760 175.324 176.117 -0.054 0.000 1.385 34 I CA 0.723 61.995 61.300 -0.047 0.000 1.004 34 I CB 1.664 39.615 38.000 -0.082 0.000 1.309 34 I HN 1.652 nan 8.210 nan 0.000 0.449 35 G N 4.285 113.045 108.800 -0.066 0.000 2.238 35 G HA2 0.415 4.375 3.960 0.000 0.000 0.276 35 G HA3 0.415 4.375 3.960 0.000 0.000 0.276 35 G C -1.189 173.672 174.900 -0.064 0.000 1.744 35 G CA -0.238 44.826 45.100 -0.060 0.000 0.912 35 G HN 0.931 nan 8.290 nan 0.000 0.744 36 D N -0.105 120.257 120.400 -0.063 0.000 2.837 36 D HA -0.140 4.500 4.640 0.000 0.000 0.230 36 D C 1.601 177.856 176.300 -0.076 0.000 1.152 36 D CA 2.849 56.811 54.000 -0.063 0.000 0.736 36 D CB -1.180 39.586 40.800 -0.058 0.000 1.084 36 D HN 2.340 nan 8.370 nan 0.000 0.429 37 G N -0.207 108.538 108.800 -0.091 0.000 2.305 37 G HA2 -0.268 3.692 3.960 0.000 0.000 0.287 37 G HA3 -0.268 3.692 3.960 0.000 0.000 0.287 37 G C 0.095 174.930 174.900 -0.108 0.000 1.036 37 G CA 0.331 45.363 45.100 -0.113 0.000 0.887 37 G HN 0.498 nan 8.290 nan 0.000 0.505 38 I N 0.265 120.782 120.570 -0.087 0.000 2.521 38 I HA 0.548 4.718 4.170 0.000 0.000 0.277 38 I C 0.527 176.624 176.117 -0.033 0.000 1.054 38 I CA -1.336 59.926 61.300 -0.063 0.000 1.117 38 I CB 0.785 38.747 38.000 -0.065 0.000 1.217 38 I HN 0.350 nan 8.210 nan 0.000 0.469 39 A N 6.976 129.801 122.820 0.008 0.000 2.347 39 A HA 0.517 4.837 4.320 0.000 0.000 0.287 39 A C 0.328 177.959 177.584 0.079 0.000 1.199 39 A CA -0.457 51.621 52.037 0.070 0.000 0.851 39 A CB 0.258 19.394 19.000 0.226 0.000 1.118 39 A HN 0.478 nan 8.150 nan 0.000 0.525 40 R N 3.009 123.543 120.500 0.056 0.000 2.408 40 R HA 0.275 4.615 4.340 0.000 0.000 0.308 40 R C -0.587 175.762 176.300 0.082 0.000 1.210 40 R CA -0.160 55.971 56.100 0.052 0.000 1.115 40 R CB 0.200 30.519 30.300 0.032 0.000 1.127 40 R HN 0.499 nan 8.270 nan 0.000 0.523 41 V N 2.773 122.742 119.914 0.092 0.000 2.732 41 V HA 0.124 4.244 4.120 0.000 0.000 0.297 41 V C 0.536 176.698 176.094 0.113 0.000 1.060 41 V CA -0.529 61.833 62.300 0.103 0.000 1.038 41 V CB 1.144 33.004 31.823 0.062 0.000 1.003 41 V HN 0.602 nan 8.190 nan 0.000 0.481 42 H N 1.192 120.268 119.070 0.011 0.000 2.559 42 H HA 0.705 5.261 4.556 0.000 0.000 0.343 42 H C 0.636 175.960 175.328 -0.006 0.000 1.209 42 H CA 0.951 57.000 56.048 0.002 0.000 1.287 42 H CB 1.444 31.209 29.762 0.005 0.000 1.650 42 H HN 0.947 nan 8.280 nan 0.000 0.567 43 G N 1.286 109.883 108.800 -0.337 0.000 2.536 43 G HA2 -0.286 3.674 3.960 0.000 0.000 0.277 43 G HA3 -0.286 3.674 3.960 0.000 0.000 0.277 43 G C -0.226 174.594 174.900 -0.134 0.000 1.155 43 G CA -0.149 44.841 45.100 -0.183 0.000 0.960 43 G HN 0.990 nan 8.290 nan 0.000 0.544 44 L N 0.716 121.894 121.223 -0.076 0.000 4.063 44 L HA -0.211 4.129 4.340 0.000 0.000 0.468 44 L C 2.369 179.197 176.870 -0.069 0.000 1.118 44 L CA 1.784 56.584 54.840 -0.067 0.000 0.814 44 L CB -1.183 40.837 42.059 -0.066 0.000 1.754 44 L HN 0.752 nan 8.230 nan 0.000 0.897 45 R N 0.941 121.397 120.500 -0.073 0.000 2.117 45 R HA -0.140 4.200 4.340 0.000 0.000 0.243 45 R C 1.246 177.519 176.300 -0.045 0.000 1.143 45 R CA 1.934 57.995 56.100 -0.065 0.000 0.968 45 R CB 0.038 30.300 30.300 -0.062 0.000 0.863 45 R HN 0.552 nan 8.270 nan 0.000 0.444 46 N N -0.328 118.349 118.700 -0.038 0.000 2.322 46 N HA -0.010 4.730 4.740 0.000 0.000 0.194 46 N C -0.092 175.402 175.510 -0.026 0.000 1.126 46 N CA -0.024 53.008 53.050 -0.028 0.000 0.845 46 N CB 0.345 38.818 38.487 -0.024 0.000 0.976 46 N HN -0.083 nan 8.380 nan 0.000 0.475 47 V N 1.043 120.937 119.914 -0.033 0.000 2.763 47 V HA -0.013 4.107 4.120 0.000 0.000 0.306 47 V C 0.296 176.378 176.094 -0.020 0.000 1.059 47 V CA 0.021 62.303 62.300 -0.030 0.000 1.138 47 V CB 0.786 32.585 31.823 -0.041 0.000 0.940 47 V HN 0.273 nan 8.190 nan 0.000 0.489 48 Q N 3.642 123.434 119.800 -0.013 0.000 2.199 48 Q HA 0.611 4.951 4.340 0.000 0.000 0.232 48 Q C 0.097 176.097 176.000 -0.001 0.000 0.969 48 Q CA -0.224 55.576 55.803 -0.005 0.000 0.925 48 Q CB 1.192 29.931 28.738 0.001 0.000 1.198 48 Q HN 0.920 nan 8.270 nan 0.000 0.494 49 A N 1.668 124.491 122.820 0.005 0.000 2.990 49 A HA 0.226 4.546 4.320 0.000 0.000 0.282 49 A C 0.113 177.709 177.584 0.020 0.000 1.688 49 A CA 0.363 52.407 52.037 0.011 0.000 1.391 49 A CB -0.663 18.345 19.000 0.014 0.000 1.112 49 A HN 0.955 nan 8.150 nan 0.000 0.588 50 E N -0.266 119.947 120.200 0.021 0.000 3.941 50 E HA -0.105 4.246 4.350 0.000 0.000 0.432 50 E C -0.043 176.582 176.600 0.042 0.000 0.478 50 E CA 0.578 56.999 56.400 0.036 0.000 1.467 50 E CB -0.912 28.810 29.700 0.038 0.000 2.122 50 E HN 0.939 nan 8.360 nan 0.000 0.272 51 E N 1.988 122.203 120.200 0.025 0.000 2.366 51 E HA 0.145 4.495 4.350 0.000 0.000 0.266 51 E C 0.293 176.915 176.600 0.035 0.000 1.015 51 E CA -0.102 56.314 56.400 0.026 0.000 0.906 51 E CB 0.953 30.658 29.700 0.009 0.000 0.979 51 E HN 0.195 nan 8.360 nan 0.000 0.443 52 M N 4.510 124.151 119.600 0.069 0.000 2.248 52 M HA 0.140 4.620 4.480 0.000 0.000 0.337 52 M C -0.623 175.700 176.300 0.038 0.000 1.121 52 M CA -0.291 55.071 55.300 0.105 0.000 1.155 52 M CB 0.747 33.456 32.600 0.180 0.000 1.514 52 M HN 0.608 nan 8.290 nan 0.000 0.452 53 V N 1.068 120.982 119.914 -0.001 0.000 3.164 53 V HA 0.700 4.821 4.120 0.000 0.000 0.313 53 V C -1.081 174.938 176.094 -0.125 0.000 1.188 53 V CA -0.954 61.286 62.300 -0.100 0.000 1.058 53 V CB 1.755 33.443 31.823 -0.225 0.000 1.110 53 V HN 0.935 nan 8.190 nan 0.000 0.453 54 E N 0.104 120.187 120.200 -0.194 0.000 2.199 54 E HA 0.550 4.900 4.350 0.000 0.000 0.265 54 E C -1.703 174.748 176.600 -0.248 0.000 0.882 54 E CA -0.621 55.696 56.400 -0.138 0.000 0.759 54 E CB 1.624 31.303 29.700 -0.036 0.000 1.148 54 E HN 0.558 nan 8.360 nan 0.000 0.412 55 F N 1.447 121.416 119.950 0.032 0.000 2.364 55 F HA 0.212 4.739 4.527 0.000 0.000 0.316 55 F C 1.773 177.587 175.800 0.023 0.000 1.133 55 F CA -0.312 57.702 58.000 0.023 0.000 1.051 55 F CB 1.174 40.186 39.000 0.020 0.000 1.342 55 F HN 0.484 nan 8.300 nan 0.000 0.507 56 S N -0.463 115.379 115.700 0.236 0.000 2.406 56 S HA -0.124 4.346 4.470 0.000 0.000 0.228 56 S C 1.749 176.415 174.600 0.110 0.000 1.020 56 S CA 1.195 59.473 58.200 0.130 0.000 0.965 56 S CB -0.434 62.828 63.200 0.105 0.000 0.798 56 S HN 0.624 nan 8.310 nan 0.000 0.488 57 S N 1.125 116.898 115.700 0.122 0.000 2.786 57 S HA 0.327 4.797 4.470 0.000 0.000 0.223 57 S C 1.050 175.706 174.600 0.093 0.000 0.956 57 S CA 0.263 58.511 58.200 0.080 0.000 0.961 57 S CB -0.735 62.491 63.200 0.045 0.000 0.784 57 S HN 0.689 nan 8.310 nan 0.000 0.519 58 G N 0.810 109.683 108.800 0.121 0.000 2.392 58 G HA2 -0.125 3.835 3.960 0.000 0.000 0.290 58 G HA3 -0.125 3.835 3.960 0.000 0.000 0.290 58 G C -0.705 174.279 174.900 0.139 0.000 1.032 58 G CA 0.276 45.444 45.100 0.112 0.000 1.269 58 G HN 0.829 nan 8.290 nan 0.000 0.511 59 L N -0.045 121.310 121.223 0.221 0.000 2.445 59 L HA 0.778 5.118 4.340 0.000 0.000 0.262 59 L C -0.182 176.917 176.870 0.382 0.000 0.974 59 L CA -1.534 53.464 54.840 0.263 0.000 0.822 59 L CB 1.609 43.789 42.059 0.201 0.000 1.339 59 L HN 0.124 nan 8.230 nan 0.000 0.409 60 K N 1.942 122.548 120.400 0.343 0.000 2.102 60 K HA 0.881 5.201 4.320 0.000 0.000 0.244 60 K C -0.104 176.778 176.600 0.470 0.000 1.021 60 K CA -0.207 56.314 56.287 0.390 0.000 0.913 60 K CB 1.061 33.817 32.500 0.426 0.000 1.062 60 K HN 0.902 nan 8.250 nan 0.000 0.485 61 G N 0.300 109.301 108.800 0.334 0.000 2.429 61 G HA2 0.388 4.348 3.960 0.000 0.000 0.300 61 G HA3 0.388 4.348 3.960 0.000 0.000 0.300 61 G C -1.221 173.685 174.900 0.010 0.000 1.598 61 G CA -0.898 44.198 45.100 -0.006 0.000 0.863 61 G HN 0.456 nan 8.290 nan 0.000 0.614 62 M N -0.141 119.395 119.600 -0.107 0.000 2.598 62 M HA 0.787 5.267 4.480 0.000 0.000 0.317 62 M C -0.217 176.071 176.300 -0.020 0.000 1.179 62 M CA -0.872 54.443 55.300 0.026 0.000 0.936 62 M CB 2.286 34.969 32.600 0.139 0.000 1.713 62 M HN 0.273 nan 8.290 nan 0.000 0.460 63 S N 2.422 118.119 115.700 -0.005 0.000 2.430 63 S HA 0.295 4.765 4.470 0.000 0.000 0.282 63 S C 0.360 174.958 174.600 -0.003 0.000 1.186 63 S CA -0.638 57.553 58.200 -0.015 0.000 1.060 63 S CB 0.570 63.758 63.200 -0.020 0.000 0.966 63 S HN 0.618 nan 8.310 nan 0.000 0.501 64 L N 2.793 124.008 121.223 -0.015 0.000 2.500 64 L HA 0.357 4.697 4.340 0.000 0.000 0.219 64 L C 0.339 177.204 176.870 -0.008 0.000 1.057 64 L CA 0.882 55.716 54.840 -0.009 0.000 0.854 64 L CB -0.270 41.769 42.059 -0.034 0.000 1.078 64 L HN 0.396 nan 8.230 nan 0.000 0.480 65 N N 0.101 118.792 118.700 -0.015 0.000 2.898 65 N HA 0.336 5.076 4.740 0.000 0.000 0.245 65 N C -1.196 174.308 175.510 -0.009 0.000 1.185 65 N CA -0.212 52.831 53.050 -0.012 0.000 0.879 65 N CB 0.554 39.029 38.487 -0.020 0.000 1.157 65 N HN -0.148 nan 8.380 nan 0.000 0.503 66 L N 1.800 123.019 121.223 -0.006 0.000 2.385 66 L HA 0.229 4.569 4.340 0.000 0.000 0.281 66 L C 0.675 177.539 176.870 -0.010 0.000 1.106 66 L CA 0.549 55.383 54.840 -0.010 0.000 0.856 66 L CB -0.016 42.037 42.059 -0.010 0.000 1.186 66 L HN 0.377 nan 8.230 nan 0.000 0.453 67 E N 4.242 124.434 120.200 -0.013 0.000 2.339 67 E HA 0.386 4.736 4.350 0.000 0.000 0.262 67 E C -1.711 174.880 176.600 -0.015 0.000 0.934 67 E CA -1.663 54.731 56.400 -0.010 0.000 0.802 67 E CB 1.164 30.861 29.700 -0.005 0.000 1.275 67 E HN 0.263 nan 8.360 nan 0.000 0.427 68 P HA -0.192 nan 4.420 nan 0.000 0.216 68 P C 0.194 177.482 177.300 -0.019 0.000 1.153 68 P CA 1.509 64.600 63.100 -0.014 0.000 0.858 68 P CB 0.127 31.823 31.700 -0.006 0.000 0.789 69 D N -2.824 117.574 120.400 -0.003 0.000 2.479 69 D HA 0.098 4.738 4.640 0.000 0.000 0.218 69 D C -0.006 176.314 176.300 0.032 0.000 1.177 69 D CA -0.420 53.587 54.000 0.012 0.000 0.830 69 D CB -0.841 39.992 40.800 0.055 0.000 1.014 69 D HN 0.353 nan 8.370 nan 0.000 0.503 70 N N -2.257 116.447 118.700 0.007 0.000 3.185 70 N HA 0.273 5.013 4.740 0.000 0.000 0.238 70 N C -0.679 174.830 175.510 -0.002 0.000 1.451 70 N CA -0.868 52.194 53.050 0.021 0.000 0.888 70 N CB 1.116 39.634 38.487 0.051 0.000 1.413 70 N HN -0.239 nan 8.380 nan 0.000 0.511 71 V N -0.963 118.953 119.914 0.003 0.000 3.570 71 V HA 0.485 4.606 4.120 0.000 0.000 0.257 71 V C 1.036 177.129 176.094 -0.002 0.000 1.272 71 V CA 0.329 62.625 62.300 -0.007 0.000 1.079 71 V CB -0.363 31.448 31.823 -0.019 0.000 0.829 71 V HN 1.233 nan 8.190 nan 0.000 0.454 72 G N 2.131 110.937 108.800 0.011 0.000 2.331 72 G HA2 -0.164 3.796 3.960 0.000 0.000 0.254 72 G HA3 -0.164 3.796 3.960 0.000 0.000 0.254 72 G C -0.300 174.599 174.900 -0.003 0.000 0.879 72 G CA 0.387 45.489 45.100 0.004 0.000 1.287 72 G HN 0.385 nan 8.290 nan 0.000 0.383 73 V N 2.672 122.603 119.914 0.028 0.000 2.617 73 V HA 0.628 4.748 4.120 0.000 0.000 0.298 73 V C 0.846 176.940 176.094 -0.000 0.000 1.048 73 V CA -0.565 61.752 62.300 0.028 0.000 0.964 73 V CB 1.871 33.760 31.823 0.110 0.000 1.004 73 V HN 0.927 nan 8.190 nan 0.000 0.466 74 V N 5.876 125.735 119.914 -0.093 0.000 2.370 74 V HA 0.468 4.588 4.120 0.000 0.000 0.279 74 V C -0.172 175.733 176.094 -0.315 0.000 1.029 74 V CA -0.181 62.003 62.300 -0.193 0.000 0.870 74 V CB 1.675 33.350 31.823 -0.247 0.000 0.984 74 V HN 0.640 nan 8.190 nan 0.000 0.451 75 V N 8.148 127.924 119.914 -0.230 0.000 2.498 75 V HA 0.353 4.473 4.120 0.000 0.000 0.279 75 V C -0.106 175.846 176.094 -0.237 0.000 1.048 75 V CA -0.253 61.920 62.300 -0.212 0.000 0.967 75 V CB 1.070 32.765 31.823 -0.214 0.000 0.988 75 V HN 0.747 nan 8.190 nan 0.000 0.473 76 F N 3.980 123.986 119.950 0.094 0.000 2.438 76 F HA 0.625 5.152 4.527 0.000 0.000 0.360 76 F C 0.984 176.811 175.800 0.046 0.000 1.118 76 F CA 0.344 58.392 58.000 0.080 0.000 1.164 76 F CB 0.391 39.450 39.000 0.099 0.000 1.131 76 F HN 0.811 nan 8.300 nan 0.000 0.527 77 G N 3.314 112.228 108.800 0.189 0.000 2.663 77 G HA2 -0.201 3.759 3.960 0.000 0.000 0.686 77 G HA3 -0.201 3.759 3.960 0.000 0.000 0.686 77 G C -0.744 174.172 174.900 0.026 0.000 1.246 77 G CA -1.285 43.876 45.100 0.101 0.000 0.795 77 G HN 0.727 nan 8.290 nan 0.000 0.627 78 N N 1.195 119.904 118.700 0.014 0.000 2.356 78 N HA 0.073 4.814 4.740 0.000 0.000 0.252 78 N C 1.051 176.530 175.510 -0.052 0.000 1.241 78 N CA 0.079 53.119 53.050 -0.017 0.000 0.861 78 N CB 0.690 39.175 38.487 -0.004 0.000 1.075 78 N HN 0.575 nan 8.380 nan 0.000 0.461 79 D N 2.595 122.950 120.400 -0.075 0.000 2.108 79 D HA -0.283 4.357 4.640 0.000 0.000 0.190 79 D C 1.646 177.886 176.300 -0.100 0.000 0.995 79 D CA 1.339 55.272 54.000 -0.112 0.000 0.834 79 D CB -0.178 40.564 40.800 -0.097 0.000 0.967 79 D HN 0.649 nan 8.370 nan 0.000 0.446 80 K N 0.060 120.422 120.400 -0.064 0.000 2.316 80 K HA -0.344 3.976 4.320 0.000 0.000 0.197 80 K C 2.023 178.591 176.600 -0.054 0.000 0.736 80 K CA 3.122 59.380 56.287 -0.048 0.000 1.105 80 K CB -0.858 31.624 32.500 -0.031 0.000 1.063 80 K HN 0.135 nan 8.250 nan 0.000 0.624 81 L N 0.728 121.919 121.223 -0.053 0.000 2.191 81 L HA 0.066 4.406 4.340 0.000 0.000 0.212 81 L C 1.185 178.013 176.870 -0.071 0.000 1.103 81 L CA 1.009 55.822 54.840 -0.046 0.000 0.769 81 L CB -0.790 41.252 42.059 -0.028 0.000 0.908 81 L HN 0.205 nan 8.230 nan 0.000 0.438 82 I N 2.219 122.705 120.570 -0.140 0.000 2.471 82 I HA 0.320 4.490 4.170 0.000 0.000 0.286 82 I C 0.209 176.252 176.117 -0.123 0.000 1.079 82 I CA 0.111 61.281 61.300 -0.217 0.000 1.398 82 I CB 0.212 37.963 38.000 -0.415 0.000 1.403 82 I HN 0.451 nan 8.210 nan 0.000 0.530 83 K N 3.553 123.914 120.400 -0.066 0.000 2.598 83 K HA 0.265 4.585 4.320 0.000 0.000 0.271 83 K C -0.612 175.989 176.600 0.001 0.000 0.947 83 K CA -0.856 55.412 56.287 -0.033 0.000 0.854 83 K CB 0.981 33.467 32.500 -0.024 0.000 1.401 83 K HN 0.396 nan 8.250 nan 0.000 0.415 84 E N 0.896 121.094 120.200 -0.003 0.000 3.446 84 E HA -0.141 4.209 4.350 0.000 0.000 0.221 84 E C 0.467 177.076 176.600 0.014 0.000 1.014 84 E CA 1.921 58.324 56.400 0.005 0.000 0.913 84 E CB -0.949 28.747 29.700 -0.007 0.000 0.913 84 E HN 0.871 nan 8.360 nan 0.000 0.561 85 G N 3.923 112.742 108.800 0.032 0.000 2.545 85 G HA2 -0.215 3.745 3.960 0.000 0.000 0.195 85 G HA3 -0.215 3.745 3.960 0.000 0.000 0.195 85 G C -0.153 174.782 174.900 0.059 0.000 1.009 85 G CA -0.238 44.882 45.100 0.034 0.000 0.703 85 G HN 0.583 nan 8.290 nan 0.000 0.479 86 D N 2.014 122.462 120.400 0.079 0.000 2.658 86 D HA 0.227 4.867 4.640 0.000 0.000 0.230 86 D C 1.137 177.518 176.300 0.136 0.000 1.118 86 D CA 0.342 54.412 54.000 0.116 0.000 0.848 86 D CB 0.417 41.311 40.800 0.157 0.000 1.160 86 D HN 0.213 nan 8.370 nan 0.000 0.497 87 I N 2.859 123.487 120.570 0.097 0.000 2.638 87 I HA 0.098 4.268 4.170 0.000 0.000 0.286 87 I C 0.415 176.550 176.117 0.030 0.000 1.088 87 I CA -0.303 61.033 61.300 0.059 0.000 1.397 87 I CB 0.809 38.830 38.000 0.036 0.000 1.414 87 I HN 0.036 nan 8.210 nan 0.000 0.566 88 V N 6.131 126.019 119.914 -0.045 0.000 2.604 88 V HA 0.499 4.619 4.120 0.000 0.000 0.305 88 V C -0.120 175.893 176.094 -0.135 0.000 1.043 88 V CA -0.926 61.260 62.300 -0.190 0.000 0.888 88 V CB 2.071 33.708 31.823 -0.310 0.000 0.995 88 V HN 0.624 nan 8.190 nan 0.000 0.429 89 K N 2.207 122.515 120.400 -0.153 0.000 2.295 89 K HA 0.671 4.991 4.320 0.000 0.000 0.239 89 K C -0.490 176.050 176.600 -0.100 0.000 0.991 89 K CA -0.752 55.479 56.287 -0.094 0.000 0.845 89 K CB 1.614 34.081 32.500 -0.056 0.000 1.197 89 K HN 0.542 nan 8.250 nan 0.000 0.441 90 R N 0.246 120.708 120.500 -0.063 0.000 2.368 90 R HA 0.409 4.749 4.340 0.000 0.000 0.302 90 R C -0.552 175.730 176.300 -0.031 0.000 1.002 90 R CA -0.331 55.739 56.100 -0.050 0.000 0.929 90 R CB 1.244 31.522 30.300 -0.037 0.000 1.073 90 R HN 0.520 nan 8.270 nan 0.000 0.464 91 T N 1.214 115.755 114.554 -0.022 0.000 3.466 91 T HA 0.122 4.472 4.350 0.000 0.000 0.297 91 T C 0.562 175.262 174.700 -0.000 0.000 1.640 91 T CA -0.602 61.495 62.100 -0.005 0.000 1.631 91 T CB 1.041 69.913 68.868 0.008 0.000 0.928 91 T HN 0.812 nan 8.240 nan 0.000 0.688 92 G N 1.913 110.711 108.800 -0.004 0.000 2.467 92 G HA2 0.349 4.309 3.960 0.000 0.000 0.283 92 G HA3 0.349 4.309 3.960 0.000 0.000 0.283 92 G C 0.208 175.111 174.900 0.004 0.000 0.615 92 G CA 0.023 45.122 45.100 -0.002 0.000 2.098 92 G HN 0.905 nan 8.290 nan 0.000 0.546 93 A N 2.339 125.165 122.820 0.009 0.000 2.512 93 A HA 0.497 4.817 4.320 0.000 0.000 0.290 93 A C 0.034 177.630 177.584 0.020 0.000 1.041 93 A CA -0.785 51.260 52.037 0.013 0.000 0.911 93 A CB 0.550 19.558 19.000 0.013 0.000 1.407 93 A HN 0.416 nan 8.150 nan 0.000 0.398 94 I N 1.703 122.284 120.570 0.018 0.000 2.932 94 I HA -0.064 4.106 4.170 0.000 0.000 0.295 94 I C 0.763 176.897 176.117 0.029 0.000 1.227 94 I CA 0.062 61.377 61.300 0.024 0.000 1.429 94 I CB 0.750 38.759 38.000 0.016 0.000 1.339 94 I HN 0.455 nan 8.210 nan 0.000 0.589 95 V N 6.061 126.002 119.914 0.046 0.000 2.613 95 V HA -0.147 3.973 4.120 0.000 0.000 0.289 95 V C 0.259 176.362 176.094 0.016 0.000 0.985 95 V CA 0.552 62.884 62.300 0.053 0.000 1.181 95 V CB -1.409 30.469 31.823 0.092 0.000 0.883 95 V HN 0.748 nan 8.190 nan 0.000 0.465 96 D N 4.467 124.872 120.400 0.010 0.000 2.433 96 D HA 0.703 5.343 4.640 0.000 0.000 0.236 96 D C -0.414 175.877 176.300 -0.014 0.000 1.026 96 D CA -0.575 53.423 54.000 -0.002 0.000 0.884 96 D CB 2.596 43.398 40.800 0.003 0.000 1.384 96 D HN 0.450 nan 8.370 nan 0.000 0.477 97 V N -3.379 116.526 119.914 -0.016 0.000 3.040 97 V HA 0.658 4.778 4.120 0.000 0.000 0.312 97 V C -3.072 173.012 176.094 -0.018 0.000 1.115 97 V CA -2.392 59.894 62.300 -0.025 0.000 0.998 97 V CB 1.879 33.683 31.823 -0.031 0.000 1.042 97 V HN 0.338 nan 8.190 nan 0.000 0.433 98 P HA 0.470 nan 4.420 nan 0.000 0.270 98 P C -0.836 176.448 177.300 -0.026 0.000 1.223 98 P CA 0.162 63.251 63.100 -0.018 0.000 0.785 98 P CB 0.968 32.657 31.700 -0.019 0.000 0.923 99 V N 0.385 120.278 119.914 -0.035 0.000 3.234 99 V HA 0.782 4.902 4.120 0.000 0.000 0.280 99 V C -0.536 175.484 176.094 -0.124 0.000 1.580 99 V CA 0.463 62.719 62.300 -0.074 0.000 1.032 99 V CB 1.771 33.569 31.823 -0.043 0.000 1.203 99 V HN 0.894 nan 8.190 nan 0.000 0.459 100 G N 2.744 111.341 108.800 -0.338 0.000 2.359 100 G HA2 0.205 4.165 3.960 0.000 0.000 0.293 100 G HA3 0.205 4.165 3.960 0.000 0.000 0.293 100 G C -0.383 174.147 174.900 -0.616 0.000 1.300 100 G CA 0.228 44.983 45.100 -0.574 0.000 0.888 100 G HN 0.608 nan 8.290 nan 0.000 0.541 101 D N -0.231 119.871 120.400 -0.497 0.000 2.194 101 D HA -0.013 4.627 4.640 0.000 0.000 0.204 101 D C 2.183 178.443 176.300 -0.066 0.000 0.964 101 D CA 1.213 55.088 54.000 -0.208 0.000 0.846 101 D CB 0.190 40.934 40.800 -0.093 0.000 0.962 101 D HN 0.625 nan 8.370 nan 0.000 0.490 102 E N 0.534 120.694 120.200 -0.068 0.000 2.108 102 E HA -0.215 4.135 4.350 0.000 0.000 0.203 102 E C 1.937 178.532 176.600 -0.008 0.000 1.022 102 E CA 0.809 57.195 56.400 -0.023 0.000 0.823 102 E CB -0.146 29.539 29.700 -0.026 0.000 0.744 102 E HN 0.171 nan 8.360 nan 0.000 0.456 103 L N 0.868 122.078 121.223 -0.022 0.000 2.447 103 L HA -0.103 4.237 4.340 0.000 0.000 0.225 103 L C 0.913 177.803 176.870 0.034 0.000 1.148 103 L CA 0.757 55.598 54.840 0.002 0.000 0.808 103 L CB -0.577 41.477 42.059 -0.008 0.000 0.928 103 L HN 0.162 nan 8.230 nan 0.000 0.448 104 L N 0.512 121.767 121.223 0.054 0.000 2.483 104 L HA 0.126 4.466 4.340 0.000 0.000 0.276 104 L C 1.408 178.310 176.870 0.053 0.000 1.213 104 L CA 1.204 56.096 54.840 0.088 0.000 0.843 104 L CB -0.367 41.768 42.059 0.127 0.000 1.107 104 L HN 0.509 nan 8.230 nan 0.000 0.487 105 G N 3.881 112.704 108.800 0.038 0.000 2.246 105 G HA2 -0.278 3.682 3.960 0.000 0.000 0.273 105 G HA3 -0.278 3.682 3.960 0.000 0.000 0.273 105 G C 0.428 175.329 174.900 0.001 0.000 1.055 105 G CA 0.320 45.424 45.100 0.007 0.000 0.851 105 G HN 0.645 nan 8.290 nan 0.000 0.500 106 R N -2.134 118.369 120.500 0.005 0.000 2.795 106 R HA 0.714 5.054 4.340 0.000 0.000 0.268 106 R C -1.078 175.227 176.300 0.009 0.000 1.041 106 R CA -0.844 55.259 56.100 0.005 0.000 0.927 106 R CB 1.911 32.217 30.300 0.010 0.000 1.235 106 R HN 0.236 nan 8.270 nan 0.000 0.463 107 V N 1.588 121.508 119.914 0.010 0.000 2.638 107 V HA 0.528 4.648 4.120 0.000 0.000 0.306 107 V C -0.189 175.916 176.094 0.019 0.000 1.052 107 V CA -0.764 61.547 62.300 0.019 0.000 0.885 107 V CB 1.664 33.497 31.823 0.016 0.000 0.999 107 V HN 0.648 nan 8.190 nan 0.000 0.424 108 V N 0.374 120.302 119.914 0.025 0.000 3.158 108 V HA 0.776 4.896 4.120 0.000 0.000 0.311 108 V C 0.272 176.380 176.094 0.022 0.000 1.181 108 V CA -0.641 61.670 62.300 0.018 0.000 1.054 108 V CB 1.864 33.693 31.823 0.010 0.000 1.085 108 V HN 0.749 nan 8.190 nan 0.000 0.446 109 D N 1.943 122.351 120.400 0.013 0.000 1.658 109 D HA 0.396 5.037 4.640 0.000 0.000 0.319 109 D C 0.614 176.919 176.300 0.008 0.000 1.076 109 D CA 1.062 55.070 54.000 0.014 0.000 0.860 109 D CB -0.318 40.484 40.800 0.004 0.000 1.368 109 D HN 1.349 nan 8.370 nan 0.000 0.468 110 A N -1.611 121.201 122.820 -0.013 0.000 3.214 110 A HA 0.425 4.745 4.320 0.000 0.000 0.203 110 A C 0.083 177.623 177.584 -0.074 0.000 0.960 110 A CA -0.447 51.576 52.037 -0.024 0.000 1.113 110 A CB -0.459 18.539 19.000 -0.004 0.000 1.280 110 A HN 0.369 nan 8.150 nan 0.000 0.573 111 L N -1.443 119.730 121.223 -0.082 0.000 3.888 111 L HA 0.415 4.755 4.340 0.000 0.000 0.369 111 L C 1.123 177.946 176.870 -0.079 0.000 1.200 111 L CA 0.900 55.658 54.840 -0.135 0.000 1.268 111 L CB 0.815 42.763 42.059 -0.186 0.000 1.573 111 L HN 0.896 nan 8.230 nan 0.000 0.632 112 G N 0.707 109.479 108.800 -0.046 0.000 2.784 112 G HA2 -0.256 3.704 3.960 0.000 0.000 0.204 112 G HA3 -0.256 3.704 3.960 0.000 0.000 0.204 112 G C 0.050 174.940 174.900 -0.017 0.000 1.300 112 G CA -0.045 45.038 45.100 -0.029 0.000 0.863 112 G HN 0.350 nan 8.290 nan 0.000 0.541 113 N N 2.537 121.226 118.700 -0.017 0.000 2.293 113 N HA 0.352 5.092 4.740 0.000 0.000 0.253 113 N C 0.649 176.159 175.510 0.000 0.000 1.248 113 N CA 0.705 53.752 53.050 -0.006 0.000 0.845 113 N CB 0.886 39.371 38.487 -0.004 0.000 1.073 113 N HN 0.989 nan 8.380 nan 0.000 0.464 114 A N 1.863 124.685 122.820 0.004 0.000 2.346 114 A HA 0.381 4.701 4.320 0.000 0.000 0.252 114 A C 1.313 178.903 177.584 0.010 0.000 1.089 114 A CA -0.318 51.723 52.037 0.007 0.000 0.797 114 A CB 0.041 19.045 19.000 0.007 0.000 1.047 114 A HN 0.890 nan 8.150 nan 0.000 0.494 115 I N -3.740 116.837 120.570 0.012 0.000 5.157 115 I HA 0.171 4.341 4.170 0.000 0.000 0.350 115 I C 0.512 176.636 176.117 0.012 0.000 1.233 115 I CA 0.401 61.709 61.300 0.013 0.000 1.476 115 I CB 0.025 38.035 38.000 0.017 0.000 1.619 115 I HN 0.445 nan 8.210 nan 0.000 0.557 116 D N 2.592 122.998 120.400 0.010 0.000 2.370 116 D HA 0.074 4.715 4.640 0.000 0.000 0.256 116 D C 1.733 178.037 176.300 0.005 0.000 1.197 116 D CA 0.751 54.755 54.000 0.006 0.000 0.922 116 D CB -0.660 40.142 40.800 0.003 0.000 0.911 116 D HN 0.594 nan 8.370 nan 0.000 0.517 117 G N 0.693 109.498 108.800 0.007 0.000 2.219 117 G HA2 -0.448 3.512 3.960 0.000 0.000 0.271 117 G HA3 -0.448 3.512 3.960 0.000 0.000 0.271 117 G C 0.905 175.809 174.900 0.006 0.000 0.991 117 G CA 0.725 45.829 45.100 0.007 0.000 0.685 117 G HN 0.521 nan 8.290 nan 0.000 0.531 118 K N 0.629 121.032 120.400 0.005 0.000 2.591 118 K HA 0.384 4.704 4.320 0.000 0.000 0.197 118 K C 1.603 178.206 176.600 0.006 0.000 1.026 118 K CA 0.374 56.664 56.287 0.005 0.000 1.127 118 K CB -0.245 32.257 32.500 0.004 0.000 0.871 118 K HN 1.287 nan 8.250 nan 0.000 0.507 119 G N 2.390 111.194 108.800 0.006 0.000 2.660 119 G HA2 -0.199 3.761 3.960 0.000 0.000 0.215 119 G HA3 -0.199 3.761 3.960 0.000 0.000 0.215 119 G C -2.822 172.082 174.900 0.007 0.000 1.345 119 G CA -0.926 44.178 45.100 0.007 0.000 0.877 119 G HN 0.114 nan 8.290 nan 0.000 0.549 120 P HA 0.656 nan 4.420 nan 0.000 0.283 120 P C -0.537 176.766 177.300 0.005 0.000 1.278 120 P CA -0.522 62.581 63.100 0.006 0.000 0.834 120 P CB 1.891 33.594 31.700 0.006 0.000 1.150 121 V N 0.209 120.124 119.914 0.003 0.000 2.462 121 V HA 0.301 4.421 4.120 0.000 0.000 0.257 121 V C 0.893 176.986 176.094 -0.001 0.000 0.944 121 V CA -0.654 61.646 62.300 0.001 0.000 0.903 121 V CB 0.593 32.415 31.823 -0.002 0.000 1.128 121 V HN 0.816 nan 8.190 nan 0.000 0.486 122 G N 1.723 110.524 108.800 0.002 0.000 2.428 122 G HA2 0.281 4.241 3.960 0.000 0.000 0.290 122 G HA3 0.281 4.241 3.960 0.000 0.000 0.290 122 G C 0.291 175.191 174.900 -0.000 0.000 0.996 122 G CA 0.306 45.408 45.100 0.002 0.000 1.406 122 G HN 0.530 nan 8.290 nan 0.000 0.445 123 S N 0.823 116.521 115.700 -0.004 0.000 2.672 123 S HA 0.458 4.928 4.470 0.000 0.000 0.276 123 S C 0.943 175.544 174.600 0.002 0.000 1.207 123 S CA -0.741 57.455 58.200 -0.007 0.000 1.002 123 S CB 1.503 64.693 63.200 -0.018 0.000 0.998 123 S HN 0.761 nan 8.310 nan 0.000 0.542 124 K N -0.038 120.366 120.400 0.007 0.000 2.706 124 K HA 0.416 4.736 4.320 0.000 0.000 0.203 124 K C -1.113 175.501 176.600 0.024 0.000 1.102 124 K CA -0.187 56.109 56.287 0.015 0.000 1.058 124 K CB -0.163 32.347 32.500 0.018 0.000 0.779 124 K HN 0.323 nan 8.250 nan 0.000 0.483 125 I N 1.824 122.410 120.570 0.026 0.000 2.719 125 I HA 0.246 4.417 4.170 0.000 0.000 0.275 125 I C -0.264 175.874 176.117 0.034 0.000 1.228 125 I CA -0.592 60.735 61.300 0.045 0.000 1.035 125 I CB 1.003 39.060 38.000 0.095 0.000 1.286 125 I HN 0.030 nan 8.210 nan 0.000 0.531 126 R N 2.616 123.129 120.500 0.021 0.000 2.896 126 R HA 0.614 4.955 4.340 0.000 0.000 0.283 126 R C 0.006 176.314 176.300 0.014 0.000 1.201 126 R CA -0.713 55.394 56.100 0.011 0.000 1.178 126 R CB 0.331 30.635 30.300 0.007 0.000 1.152 126 R HN 0.360 nan 8.270 nan 0.000 0.590 127 R N -0.080 120.423 120.500 0.005 0.000 2.678 127 R HA 0.126 4.466 4.340 0.000 0.000 0.267 127 R C -0.965 175.333 176.300 -0.004 0.000 1.173 127 R CA -0.333 55.768 56.100 0.001 0.000 1.061 127 R CB 0.942 31.242 30.300 0.000 0.000 1.262 127 R HN 0.618 nan 8.270 nan 0.000 0.427 128 R N 2.148 122.646 120.500 -0.004 0.000 2.774 128 R HA 0.200 4.540 4.340 0.000 0.000 0.269 128 R C 0.552 176.847 176.300 -0.009 0.000 1.068 128 R CA 0.503 56.600 56.100 -0.006 0.000 1.180 128 R CB 0.799 31.096 30.300 -0.005 0.000 1.077 128 R HN 0.507 nan 8.270 nan 0.000 0.513 129 V N 0.247 120.152 119.914 -0.014 0.000 3.660 129 V HA 0.336 4.456 4.120 0.000 0.000 0.276 129 V C 0.903 176.970 176.094 -0.045 0.000 1.317 129 V CA 0.973 63.267 62.300 -0.010 0.000 1.097 129 V CB 0.635 32.456 31.823 -0.003 0.000 0.863 129 V HN 0.796 nan 8.190 nan 0.000 0.438 130 G N 1.143 109.907 108.800 -0.060 0.000 3.440 130 G HA2 0.292 4.253 3.960 0.000 0.000 0.263 130 G HA3 0.292 4.253 3.960 0.000 0.000 0.263 130 G C 0.162 175.036 174.900 -0.043 0.000 1.236 130 G CA -0.186 44.863 45.100 -0.084 0.000 0.927 130 G HN 0.417 nan 8.290 nan 0.000 0.530 131 L N 0.192 121.401 121.223 -0.023 0.000 2.467 131 L HA 0.401 4.741 4.340 0.000 0.000 0.270 131 L C 0.444 177.310 176.870 -0.007 0.000 1.205 131 L CA -0.216 54.617 54.840 -0.012 0.000 0.828 131 L CB 0.792 42.843 42.059 -0.013 0.000 1.101 131 L HN 0.005 nan 8.230 nan 0.000 0.479 132 K N 3.226 123.628 120.400 0.004 0.000 2.183 132 K HA 0.635 4.955 4.320 0.000 0.000 0.274 132 K C -0.392 176.209 176.600 0.002 0.000 1.009 132 K CA -0.466 55.832 56.287 0.018 0.000 0.888 132 K CB 1.153 33.674 32.500 0.035 0.000 1.078 132 K HN 0.863 nan 8.250 nan 0.000 0.459 133 A N 5.560 128.383 122.820 0.005 0.000 2.586 133 A HA 0.055 4.375 4.320 0.000 0.000 0.231 133 A C -1.742 175.825 177.584 -0.028 0.000 1.055 133 A CA -0.755 51.274 52.037 -0.013 0.000 0.756 133 A CB -0.463 18.536 19.000 -0.002 0.000 0.988 133 A HN 0.743 nan 8.150 nan 0.000 0.509 134 P HA 0.206 nan 4.420 nan 0.000 0.203 134 P C 0.901 178.174 177.300 -0.045 0.000 0.968 134 P CA 1.617 64.657 63.100 -0.100 0.000 0.904 134 P CB -0.053 31.534 31.700 -0.189 0.000 0.646 135 G N -3.375 105.401 108.800 -0.040 0.000 2.333 135 G HA2 0.098 4.058 3.960 0.000 0.000 0.288 135 G HA3 0.098 4.058 3.960 0.000 0.000 0.288 135 G C 0.341 175.247 174.900 0.009 0.000 1.286 135 G CA -0.375 44.725 45.100 -0.000 0.000 0.865 135 G HN 0.133 nan 8.290 nan 0.000 0.506 136 I N 1.249 121.834 120.570 0.025 0.000 2.076 136 I HA -0.149 4.021 4.170 0.000 0.000 0.237 136 I C 2.930 179.073 176.117 0.043 0.000 1.059 136 I CA 1.908 63.226 61.300 0.029 0.000 1.317 136 I CB -0.384 37.634 38.000 0.030 0.000 1.037 136 I HN 0.578 nan 8.210 nan 0.000 0.398 137 I N 0.062 120.672 120.570 0.065 0.000 2.286 137 I HA -0.114 4.056 4.170 0.000 0.000 0.248 137 I C -0.346 175.872 176.117 0.169 0.000 1.115 137 I CA 1.827 63.188 61.300 0.101 0.000 1.392 137 I CB -3.306 34.757 38.000 0.106 0.000 1.065 137 I HN 0.186 nan 8.210 nan 0.000 0.418 138 P HA -0.056 nan 4.420 nan 0.000 0.216 138 P C 0.776 178.119 177.300 0.070 0.000 1.153 138 P CA 1.323 64.525 63.100 0.169 0.000 0.844 138 P CB 0.020 31.542 31.700 -0.298 0.000 0.787 139 R N -1.186 119.321 120.500 0.013 0.000 2.726 139 R HA 0.346 4.686 4.340 0.000 0.000 0.272 139 R C 0.836 177.154 176.300 0.030 0.000 1.097 139 R CA -0.229 55.873 56.100 0.004 0.000 1.198 139 R CB 0.288 30.581 30.300 -0.011 0.000 1.114 139 R HN 0.040 nan 8.270 nan 0.000 0.550 140 I N -1.576 119.005 120.570 0.018 0.000 3.489 140 I HA 0.206 4.376 4.170 0.000 0.000 0.273 140 I C -0.981 175.142 176.117 0.010 0.000 0.979 140 I CA 0.376 61.688 61.300 0.021 0.000 2.160 140 I CB 1.087 39.103 38.000 0.028 0.000 1.637 140 I HN 0.518 nan 8.210 nan 0.000 0.449 141 S N 0.196 115.898 115.700 0.003 0.000 2.563 141 S HA 0.492 4.962 4.470 0.000 0.000 0.279 141 S C -1.297 173.298 174.600 -0.009 0.000 1.155 141 S CA -0.630 57.570 58.200 -0.001 0.000 0.928 141 S CB 0.887 64.088 63.200 0.003 0.000 1.107 141 S HN 0.182 nan 8.310 nan 0.000 0.462 142 V N 6.463 126.370 119.914 -0.012 0.000 2.409 142 V HA 0.373 4.493 4.120 0.000 0.000 0.270 142 V C 0.783 176.868 176.094 -0.015 0.000 1.019 142 V CA 0.334 62.623 62.300 -0.018 0.000 1.066 142 V CB -1.259 30.554 31.823 -0.016 0.000 1.021 142 V HN 0.869 nan 8.190 nan 0.000 0.476 143 R N 3.221 123.708 120.500 -0.021 0.000 2.846 143 R HA 0.590 4.930 4.340 0.000 0.000 0.263 143 R C -0.233 176.055 176.300 -0.021 0.000 1.080 143 R CA -0.810 55.282 56.100 -0.013 0.000 0.961 143 R CB 1.221 31.517 30.300 -0.008 0.000 1.231 143 R HN 0.497 nan 8.270 nan 0.000 0.465 144 E N 1.144 121.340 120.200 -0.007 0.000 2.302 144 E HA -0.092 4.258 4.350 0.000 0.000 0.186 144 E C -2.029 174.570 176.600 -0.002 0.000 1.444 144 E CA -0.053 56.346 56.400 -0.000 0.000 0.671 144 E CB -0.604 29.087 29.700 -0.016 0.000 1.122 144 E HN 0.558 nan 8.360 nan 0.000 0.366 145 P HA -0.042 nan 4.420 nan 0.000 0.272 145 P C 0.173 177.488 177.300 0.025 0.000 1.243 145 P CA 0.098 63.205 63.100 0.011 0.000 0.803 145 P CB 0.448 32.158 31.700 0.016 0.000 0.974 146 M N 0.943 120.549 119.600 0.011 0.000 2.321 146 M HA 0.157 4.637 4.480 0.000 0.000 0.315 146 M C -0.611 175.680 176.300 -0.016 0.000 1.052 146 M CA -0.691 54.610 55.300 0.002 0.000 0.936 146 M CB 1.719 34.311 32.600 -0.013 0.000 1.639 146 M HN 0.199 nan 8.290 nan 0.000 0.433 147 Q N 3.666 123.443 119.800 -0.038 0.000 2.307 147 Q HA 0.172 4.512 4.340 0.000 0.000 0.259 147 Q C 1.061 177.007 176.000 -0.090 0.000 0.998 147 Q CA 0.088 55.863 55.803 -0.047 0.000 0.923 147 Q CB 1.020 29.750 28.738 -0.014 0.000 1.196 147 Q HN 0.901 nan 8.270 nan 0.000 0.416 148 T N -0.743 113.778 114.554 -0.054 0.000 2.770 148 T HA 0.033 4.383 4.350 0.000 0.000 0.263 148 T C 1.304 175.965 174.700 -0.064 0.000 1.039 148 T CA 1.061 63.125 62.100 -0.059 0.000 1.142 148 T CB -0.047 68.799 68.868 -0.036 0.000 0.868 148 T HN 0.820 nan 8.240 nan 0.000 0.435 149 G N 0.979 109.756 108.800 -0.039 0.000 2.195 149 G HA2 -0.132 3.828 3.960 0.000 0.000 0.224 149 G HA3 -0.132 3.828 3.960 0.000 0.000 0.224 149 G C -0.118 174.775 174.900 -0.012 0.000 0.990 149 G CA -0.169 44.917 45.100 -0.024 0.000 0.639 149 G HN 0.611 nan 8.290 nan 0.000 0.514 150 I N 2.557 123.118 120.570 -0.015 0.000 2.322 150 I HA 0.321 4.491 4.170 0.000 0.000 0.292 150 I C 1.515 177.636 176.117 0.006 0.000 1.060 150 I CA -0.303 60.993 61.300 -0.005 0.000 1.309 150 I CB 1.125 39.120 38.000 -0.010 0.000 1.415 150 I HN 0.105 nan 8.210 nan 0.000 0.492 151 K N 4.994 125.403 120.400 0.015 0.000 1.975 151 K HA -0.277 4.043 4.320 0.000 0.000 0.225 151 K C 2.079 178.691 176.600 0.019 0.000 1.050 151 K CA 1.909 58.209 56.287 0.023 0.000 0.992 151 K CB -0.573 31.945 32.500 0.030 0.000 0.738 151 K HN 0.729 nan 8.250 nan 0.000 0.446 152 A N 1.266 124.097 122.820 0.018 0.000 1.969 152 A HA -0.237 4.083 4.320 0.000 0.000 0.223 152 A C 2.410 180.002 177.584 0.014 0.000 1.218 152 A CA 2.339 54.386 52.037 0.016 0.000 0.667 152 A CB -1.105 17.904 19.000 0.016 0.000 0.826 152 A HN 0.172 nan 8.150 nan 0.000 0.472 153 V N 0.220 120.140 119.914 0.011 0.000 2.251 153 V HA -0.214 3.906 4.120 0.000 0.000 0.230 153 V C 2.219 178.318 176.094 0.008 0.000 1.032 153 V CA 1.960 64.265 62.300 0.008 0.000 0.997 153 V CB -0.926 30.898 31.823 0.001 0.000 0.643 153 V HN 0.576 nan 8.190 nan 0.000 0.462 154 D N 0.800 121.204 120.400 0.006 0.000 2.269 154 D HA -0.239 4.401 4.640 0.000 0.000 0.191 154 D C 2.358 178.666 176.300 0.014 0.000 1.007 154 D CA 2.489 56.495 54.000 0.009 0.000 0.855 154 D CB -0.804 40.002 40.800 0.011 0.000 0.979 154 D HN 0.576 nan 8.370 nan 0.000 0.452 155 S N 1.215 116.925 115.700 0.018 0.000 2.427 155 S HA -0.231 4.239 4.470 0.000 0.000 0.231 155 S C 2.348 176.957 174.600 0.015 0.000 1.045 155 S CA 1.437 59.649 58.200 0.020 0.000 1.154 155 S CB -1.086 62.129 63.200 0.024 0.000 1.093 155 S HN 0.299 nan 8.310 nan 0.000 0.422 156 L N 1.281 122.512 121.223 0.014 0.000 1.932 156 L HA -0.000 4.340 4.340 0.000 0.000 0.217 156 L C 1.339 178.217 176.870 0.013 0.000 1.077 156 L CA 1.600 56.447 54.840 0.012 0.000 0.765 156 L CB -0.852 41.215 42.059 0.014 0.000 0.888 156 L HN 0.498 nan 8.230 nan 0.000 0.433 157 V N -1.699 118.223 119.914 0.014 0.000 2.270 157 V HA 0.370 4.490 4.120 0.000 0.000 0.263 157 V C -2.610 173.489 176.094 0.009 0.000 1.066 157 V CA -2.013 60.295 62.300 0.013 0.000 0.857 157 V CB 0.089 31.922 31.823 0.017 0.000 1.099 157 V HN 0.022 nan 8.190 nan 0.000 0.476 158 P HA 0.520 nan 4.420 nan 0.000 0.285 158 P C -0.372 176.928 177.300 0.001 0.000 1.259 158 P CA -0.221 62.883 63.100 0.005 0.000 0.794 158 P CB 1.130 32.835 31.700 0.008 0.000 0.940 159 I N 2.496 123.064 120.570 -0.003 0.000 2.315 159 I HA 0.409 4.579 4.170 0.000 0.000 0.291 159 I C 1.183 177.294 176.117 -0.009 0.000 1.006 159 I CA -0.212 61.083 61.300 -0.009 0.000 1.265 159 I CB 1.279 39.270 38.000 -0.016 0.000 1.387 159 I HN 0.354 nan 8.210 nan 0.000 0.475 160 G N 5.199 113.992 108.800 -0.011 0.000 2.502 160 G HA2 0.488 4.448 3.960 0.000 0.000 0.305 160 G HA3 0.488 4.448 3.960 0.000 0.000 0.305 160 G C -0.549 174.337 174.900 -0.023 0.000 1.190 160 G CA -0.646 44.446 45.100 -0.014 0.000 0.933 160 G HN 0.559 nan 8.290 nan 0.000 0.503 161 R N -0.827 119.653 120.500 -0.034 0.000 2.349 161 R HA 0.487 4.827 4.340 0.000 0.000 0.299 161 R C 1.042 177.308 176.300 -0.056 0.000 1.027 161 R CA 0.930 57.000 56.100 -0.050 0.000 0.958 161 R CB 0.936 31.183 30.300 -0.088 0.000 1.047 161 R HN 1.114 nan 8.270 nan 0.000 0.468 162 G N 1.947 110.721 108.800 -0.044 0.000 2.157 162 G HA2 -0.283 3.677 3.960 0.000 0.000 0.239 162 G HA3 -0.283 3.677 3.960 0.000 0.000 0.239 162 G C -0.224 174.659 174.900 -0.029 0.000 0.982 162 G CA 0.502 45.580 45.100 -0.037 0.000 0.650 162 G HN 0.638 nan 8.290 nan 0.000 0.527 163 Q N -1.000 118.783 119.800 -0.029 0.000 2.333 163 Q HA 0.859 5.199 4.340 0.000 0.000 0.266 163 Q C -0.537 175.445 176.000 -0.030 0.000 1.053 163 Q CA -1.268 54.520 55.803 -0.026 0.000 0.890 163 Q CB 1.171 29.896 28.738 -0.023 0.000 1.337 163 Q HN 0.129 nan 8.270 nan 0.000 0.474 164 R N 0.951 121.434 120.500 -0.028 0.000 2.288 164 R HA 0.316 4.656 4.340 0.000 0.000 0.326 164 R C -1.368 174.913 176.300 -0.032 0.000 0.959 164 R CA -0.515 55.566 56.100 -0.032 0.000 0.834 164 R CB 1.328 31.610 30.300 -0.028 0.000 1.157 164 R HN 0.650 nan 8.270 nan 0.000 0.470 165 E N 3.188 123.367 120.200 -0.036 0.000 2.092 165 E HA 0.207 4.557 4.350 0.000 0.000 0.271 165 E C -1.057 175.524 176.600 -0.032 0.000 0.919 165 E CA -0.505 55.878 56.400 -0.029 0.000 0.760 165 E CB 0.756 30.441 29.700 -0.025 0.000 1.106 165 E HN 0.524 nan 8.360 nan 0.000 0.408 166 L N 6.882 128.088 121.223 -0.029 0.000 2.369 166 L HA 0.330 4.670 4.340 0.000 0.000 0.279 166 L C -0.433 176.431 176.870 -0.011 0.000 1.108 166 L CA -0.426 54.395 54.840 -0.032 0.000 0.852 166 L CB 0.164 42.196 42.059 -0.044 0.000 1.169 166 L HN 0.684 nan 8.230 nan 0.000 0.452 167 I N 4.390 124.954 120.570 -0.010 0.000 2.361 167 I HA 0.366 4.536 4.170 0.000 0.000 0.282 167 I C -0.022 176.114 176.117 0.032 0.000 1.075 167 I CA -0.386 60.924 61.300 0.016 0.000 1.205 167 I CB 0.705 38.709 38.000 0.006 0.000 1.406 167 I HN 0.540 nan 8.210 nan 0.000 0.481 168 I N 4.874 125.484 120.570 0.067 0.000 3.021 168 I HA 0.841 5.011 4.170 0.000 0.000 0.303 168 I C 0.507 176.740 176.117 0.193 0.000 1.044 168 I CA 0.295 61.648 61.300 0.087 0.000 1.266 168 I CB 1.445 39.461 38.000 0.027 0.000 1.447 168 I HN 0.836 nan 8.210 nan 0.000 0.593 169 G N 3.835 112.751 108.800 0.194 0.000 2.308 169 G HA2 0.155 4.115 3.960 0.000 0.000 0.288 169 G HA3 0.155 4.115 3.960 0.000 0.000 0.288 169 G C -1.746 173.206 174.900 0.087 0.000 1.722 169 G CA -0.839 44.360 45.100 0.165 0.000 0.924 169 G HN 0.630 nan 8.290 nan 0.000 0.732 170 D N 0.434 120.874 120.400 0.066 0.000 2.314 170 D HA 0.413 5.053 4.640 0.000 0.000 0.252 170 D C 1.182 177.472 176.300 -0.016 0.000 1.295 170 D CA -0.126 53.896 54.000 0.037 0.000 0.995 170 D CB 0.407 41.230 40.800 0.039 0.000 1.125 170 D HN 0.557 nan 8.370 nan 0.000 0.537 171 R N 0.018 120.519 120.500 0.001 0.000 2.756 171 R HA 0.059 4.399 4.340 0.000 0.000 0.264 171 R C -0.184 176.086 176.300 -0.049 0.000 1.026 171 R CA -0.274 55.823 56.100 -0.005 0.000 1.121 171 R CB -0.058 30.257 30.300 0.024 0.000 0.999 171 R HN 0.336 nan 8.270 nan 0.000 0.449 172 Q N 0.380 120.147 119.800 -0.054 0.000 2.397 172 Q HA -0.223 4.117 4.340 0.000 0.000 0.362 172 Q C -0.912 174.879 176.000 -0.347 0.000 1.324 172 Q CA 1.706 57.442 55.803 -0.112 0.000 1.063 172 Q CB -1.112 27.632 28.738 0.010 0.000 1.185 172 Q HN 0.871 nan 8.270 nan 0.000 0.305 173 T N -0.412 113.877 114.554 -0.442 0.000 3.147 173 T HA 0.470 4.820 4.350 0.000 0.000 0.275 173 T C 0.995 175.331 174.700 -0.608 0.000 0.879 173 T CA 0.167 61.842 62.100 -0.710 0.000 0.863 173 T CB 0.905 69.538 68.868 -0.391 0.000 1.236 173 T HN 1.101 nan 8.240 nan 0.000 0.582 174 G N 2.144 110.754 108.800 -0.317 0.000 2.205 174 G HA2 -0.220 3.740 3.960 0.000 0.000 0.180 174 G HA3 -0.220 3.740 3.960 0.000 0.000 0.180 174 G C 0.876 175.742 174.900 -0.058 0.000 1.004 174 G CA 0.305 45.325 45.100 -0.134 0.000 0.670 174 G HN 0.431 nan 8.290 nan 0.000 0.496 175 K N 0.134 120.498 120.400 -0.061 0.000 2.074 175 K HA -0.074 4.246 4.320 0.000 0.000 0.209 175 K C 2.354 178.963 176.600 0.014 0.000 1.048 175 K CA 1.893 58.169 56.287 -0.018 0.000 0.926 175 K CB -0.323 32.170 32.500 -0.012 0.000 0.713 175 K HN 0.336 nan 8.250 nan 0.000 0.444 176 T N 0.685 115.258 114.554 0.032 0.000 2.942 176 T HA -0.076 4.274 4.350 0.000 0.000 0.265 176 T C 2.177 176.907 174.700 0.049 0.000 1.062 176 T CA 1.283 63.433 62.100 0.084 0.000 1.139 176 T CB -0.084 68.856 68.868 0.119 0.000 0.883 176 T HN 0.366 nan 8.240 nan 0.000 0.468 177 S N 2.487 118.202 115.700 0.026 0.000 2.345 177 S HA -0.032 4.438 4.470 0.000 0.000 0.220 177 S C 2.082 176.663 174.600 -0.031 0.000 1.031 177 S CA 0.413 58.614 58.200 0.001 0.000 0.996 177 S CB -0.761 62.465 63.200 0.043 0.000 0.882 177 S HN 0.373 nan 8.310 nan 0.000 0.445 178 I N 3.211 123.774 120.570 -0.011 0.000 2.118 178 I HA -0.209 3.961 4.170 0.000 0.000 0.241 178 I C 2.580 178.678 176.117 -0.031 0.000 1.070 178 I CA 2.145 63.432 61.300 -0.021 0.000 1.327 178 I CB -1.582 36.414 38.000 -0.008 0.000 1.034 178 I HN 0.378 nan 8.210 nan 0.000 0.405 179 A N 0.560 123.376 122.820 -0.007 0.000 1.972 179 A HA -0.214 4.106 4.320 0.000 0.000 0.219 179 A C 2.199 179.776 177.584 -0.012 0.000 1.169 179 A CA 1.708 53.749 52.037 0.006 0.000 0.635 179 A CB -0.854 18.179 19.000 0.055 0.000 0.810 179 A HN 0.508 nan 8.150 nan 0.000 0.446 180 I N 0.030 120.576 120.570 -0.041 0.000 2.676 180 I HA -0.133 4.037 4.170 0.000 0.000 0.259 180 I C 1.357 177.359 176.117 -0.191 0.000 1.194 180 I CA 1.209 62.433 61.300 -0.127 0.000 1.473 180 I CB -0.145 37.759 38.000 -0.160 0.000 1.096 180 I HN 0.264 nan 8.210 nan 0.000 0.443 181 D N -0.566 119.733 120.400 -0.169 0.000 2.120 181 D HA -0.093 4.547 4.640 0.000 0.000 0.202 181 D C 2.095 178.321 176.300 -0.123 0.000 0.972 181 D CA 1.564 55.455 54.000 -0.182 0.000 0.837 181 D CB -0.447 40.267 40.800 -0.143 0.000 0.989 181 D HN 0.228 nan 8.370 nan 0.000 0.469 182 T N 1.481 115.981 114.554 -0.088 0.000 2.778 182 T HA -0.114 4.236 4.350 0.000 0.000 0.269 182 T C 2.132 176.785 174.700 -0.078 0.000 1.050 182 T CA 0.733 62.788 62.100 -0.075 0.000 1.137 182 T CB -0.067 68.769 68.868 -0.053 0.000 0.860 182 T HN 0.192 nan 8.240 nan 0.000 0.468 183 I N -0.457 120.070 120.570 -0.071 0.000 2.703 183 I HA 0.066 4.236 4.170 0.000 0.000 0.259 183 I C 2.127 178.229 176.117 -0.025 0.000 1.151 183 I CA 0.482 61.755 61.300 -0.046 0.000 1.470 183 I CB -0.136 37.825 38.000 -0.065 0.000 1.112 183 I HN 0.136 nan 8.210 nan 0.000 0.437 184 I N 1.470 121.993 120.570 -0.079 0.000 2.614 184 I HA -0.256 3.914 4.170 0.000 0.000 0.258 184 I C 2.016 178.126 176.117 -0.012 0.000 1.189 184 I CA 1.232 62.505 61.300 -0.045 0.000 1.462 184 I CB -0.433 37.479 38.000 -0.147 0.000 1.092 184 I HN 0.169 nan 8.210 nan 0.000 0.442 185 N N 0.392 119.042 118.700 -0.083 0.000 2.443 185 N HA -0.178 4.562 4.740 0.000 0.000 0.184 185 N C 1.474 176.786 175.510 -0.330 0.000 1.037 185 N CA 0.945 53.901 53.050 -0.156 0.000 0.896 185 N CB -0.018 38.366 38.487 -0.171 0.000 0.959 185 N HN 0.381 nan 8.380 nan 0.000 0.442 186 Q N -0.072 119.546 119.800 -0.304 0.000 2.444 186 Q HA -0.017 4.323 4.340 0.000 0.000 0.206 186 Q C 1.450 177.177 176.000 -0.456 0.000 0.948 186 Q CA 0.253 55.714 55.803 -0.570 0.000 0.946 186 Q CB -0.037 28.469 28.738 -0.387 0.000 1.027 186 Q HN 0.259 nan 8.270 nan 0.000 0.513 187 K N 2.854 123.132 120.400 -0.205 0.000 1.974 187 K HA -0.258 4.062 4.320 0.000 0.000 0.232 187 K C 1.839 178.402 176.600 -0.062 0.000 1.027 187 K CA 2.436 58.658 56.287 -0.108 0.000 1.049 187 K CB -0.421 32.103 32.500 0.040 0.000 0.732 187 K HN 0.297 nan 8.250 nan 0.000 0.452 188 R N -0.504 120.051 120.500 0.092 0.000 2.244 188 R HA -0.199 4.141 4.340 0.000 0.000 0.252 188 R C 2.213 178.600 176.300 0.145 0.000 1.177 188 R CA 1.801 57.976 56.100 0.124 0.000 1.004 188 R CB -0.851 29.550 30.300 0.168 0.000 0.873 188 R HN 0.233 nan 8.270 nan 0.000 0.469 189 F N 1.715 121.551 119.950 -0.190 0.000 2.179 189 F HA 0.061 4.588 4.527 0.000 0.000 0.292 189 F C 1.912 177.548 175.800 -0.273 0.000 1.089 189 F CA 0.283 58.162 58.000 -0.203 0.000 1.295 189 F CB -0.736 38.144 39.000 -0.202 0.000 1.041 189 F HN -0.025 nan 8.300 nan 0.000 0.487 190 N N 0.922 119.488 118.700 -0.224 0.000 2.627 190 N HA -0.095 4.645 4.740 0.000 0.000 0.196 190 N C -0.133 175.241 175.510 -0.225 0.000 1.268 190 N CA 1.276 54.099 53.050 -0.379 0.000 0.904 190 N CB -0.365 37.655 38.487 -0.779 0.000 1.016 190 N HN 0.525 nan 8.380 nan 0.000 0.448 191 D N -2.839 117.481 120.400 -0.134 0.000 2.430 191 D HA 0.101 4.741 4.640 0.000 0.000 0.289 191 D C 1.062 177.321 176.300 -0.068 0.000 1.215 191 D CA -0.306 53.642 54.000 -0.086 0.000 0.838 191 D CB -0.503 40.259 40.800 -0.064 0.000 1.290 191 D HN -0.002 nan 8.370 nan 0.000 0.521 192 G N 0.514 109.265 108.800 -0.080 0.000 2.546 192 G HA2 0.363 4.323 3.960 0.000 0.000 0.239 192 G HA3 0.363 4.323 3.960 0.000 0.000 0.239 192 G C 1.069 175.921 174.900 -0.080 0.000 1.476 192 G CA 0.516 45.565 45.100 -0.086 0.000 1.064 192 G HN 0.173 nan 8.290 nan 0.000 0.561 193 T N -1.098 113.402 114.554 -0.090 0.000 2.975 193 T HA -0.000 4.350 4.350 0.000 0.000 0.220 193 T C 0.879 175.539 174.700 -0.066 0.000 1.011 193 T CA 0.915 62.973 62.100 -0.071 0.000 1.880 193 T CB -0.784 68.042 68.868 -0.070 0.000 1.348 193 T HN 0.275 nan 8.240 nan 0.000 0.415 194 D N 2.129 122.484 120.400 -0.074 0.000 2.999 194 D HA -0.012 4.628 4.640 0.000 0.000 0.276 194 D C 1.080 177.358 176.300 -0.037 0.000 1.481 194 D CA 0.256 54.225 54.000 -0.052 0.000 1.095 194 D CB 0.135 40.897 40.800 -0.063 0.000 1.165 194 D HN 0.484 nan 8.370 nan 0.000 0.599 195 E N 3.109 123.297 120.200 -0.021 0.000 2.097 195 E HA -0.251 4.099 4.350 0.000 0.000 0.196 195 E C 1.686 178.275 176.600 -0.017 0.000 1.000 195 E CA 1.507 57.898 56.400 -0.014 0.000 0.804 195 E CB 0.068 29.766 29.700 -0.002 0.000 0.740 195 E HN 0.501 nan 8.360 nan 0.000 0.454 196 K N 0.380 120.782 120.400 0.005 0.000 2.209 196 K HA -0.133 4.187 4.320 0.000 0.000 0.204 196 K C 0.993 177.673 176.600 0.133 0.000 1.048 196 K CA 1.042 57.359 56.287 0.051 0.000 0.940 196 K CB -0.043 32.524 32.500 0.111 0.000 0.729 196 K HN -0.118 nan 8.250 nan 0.000 0.451 197 K N 1.414 121.867 120.400 0.089 0.000 3.192 197 K HA 0.053 4.373 4.320 0.000 0.000 0.269 197 K C -0.739 175.988 176.600 0.210 0.000 1.270 197 K CA -0.039 56.328 56.287 0.132 0.000 1.249 197 K CB 0.174 32.669 32.500 -0.008 0.000 1.528 197 K HN 0.026 nan 8.250 nan 0.000 0.360 198 K N 0.219 120.724 120.400 0.174 0.000 2.082 198 K HA 0.580 4.900 4.320 0.000 0.000 0.242 198 K C -1.513 175.115 176.600 0.048 0.000 1.070 198 K CA -1.152 55.187 56.287 0.086 0.000 0.892 198 K CB 1.081 33.537 32.500 -0.073 0.000 1.417 198 K HN 0.005 nan 8.250 nan 0.000 0.541 199 L N 1.298 122.435 121.223 -0.143 0.000 3.586 199 L HA 0.252 4.592 4.340 0.000 0.000 0.267 199 L C -1.998 174.761 176.870 -0.185 0.000 0.980 199 L CA -0.254 54.550 54.840 -0.062 0.000 1.199 199 L CB 0.641 42.678 42.059 -0.037 0.000 1.946 199 L HN 0.481 nan 8.230 nan 0.000 0.595 200 Y N 2.652 122.885 120.300 -0.111 0.000 2.335 200 Y HA 0.667 5.217 4.550 0.000 0.000 0.323 200 Y C 0.387 176.301 175.900 0.022 0.000 1.224 200 Y CA -0.366 57.672 58.100 -0.102 0.000 1.241 200 Y CB 1.409 39.538 38.460 -0.552 0.000 1.235 200 Y HN 0.564 nan 8.280 nan 0.000 0.492 201 C N 4.160 123.576 119.300 0.193 0.000 2.441 201 C HA 0.597 5.057 4.460 0.000 0.000 0.318 201 C C -0.782 174.273 174.990 0.110 0.000 1.222 201 C CA -0.992 58.095 59.018 0.115 0.000 1.474 201 C CB 0.352 28.110 27.740 0.030 0.000 2.125 201 C HN 0.445 nan 8.230 nan 0.000 0.479 202 I N 3.177 123.807 120.570 0.099 0.000 2.390 202 I HA 0.229 4.399 4.170 0.000 0.000 0.283 202 I C -0.642 175.507 176.117 0.054 0.000 1.016 202 I CA -0.518 60.834 61.300 0.086 0.000 1.151 202 I CB 0.346 38.391 38.000 0.074 0.000 1.293 202 I HN 0.712 nan 8.210 nan 0.000 0.458 203 Y N 6.715 126.991 120.300 -0.040 0.000 2.353 203 Y HA 0.509 5.059 4.550 0.000 0.000 0.340 203 Y C -0.402 175.487 175.900 -0.019 0.000 0.972 203 Y CA -0.531 57.540 58.100 -0.049 0.000 1.157 203 Y CB 1.273 39.701 38.460 -0.053 0.000 1.157 203 Y HN 0.305 nan 8.280 nan 0.000 0.495 204 V N 6.150 125.854 119.914 -0.350 0.000 2.394 204 V HA 0.680 4.800 4.120 0.000 0.000 0.282 204 V C -0.056 175.807 176.094 -0.385 0.000 1.031 204 V CA -0.651 61.522 62.300 -0.211 0.000 0.881 204 V CB 0.905 32.703 31.823 -0.040 0.000 0.982 204 V HN 0.902 nan 8.190 nan 0.000 0.451 205 A N 6.754 129.495 122.820 -0.132 0.000 2.273 205 A HA 0.850 5.170 4.320 0.000 0.000 0.315 205 A C -0.589 176.993 177.584 -0.003 0.000 1.256 205 A CA -0.415 51.598 52.037 -0.040 0.000 0.851 205 A CB 0.285 19.377 19.000 0.153 0.000 1.172 205 A HN 0.807 nan 8.150 nan 0.000 0.508 206 I N 3.191 123.755 120.570 -0.011 0.000 2.437 206 I HA 0.556 4.726 4.170 0.000 0.000 0.279 206 I C 1.074 177.217 176.117 0.044 0.000 1.028 206 I CA 0.345 61.657 61.300 0.020 0.000 1.142 206 I CB 1.268 39.269 38.000 0.002 0.000 1.266 206 I HN 0.979 nan 8.210 nan 0.000 0.461 207 G N 4.254 113.089 108.800 0.059 0.000 2.850 207 G HA2 -0.221 3.739 3.960 0.000 0.000 0.207 207 G HA3 -0.221 3.739 3.960 0.000 0.000 0.207 207 G C 0.282 175.218 174.900 0.060 0.000 1.302 207 G CA -0.553 44.585 45.100 0.064 0.000 0.832 207 G HN 0.533 nan 8.290 nan 0.000 0.543 208 Q N 1.476 121.313 119.800 0.061 0.000 2.579 208 Q HA 0.092 4.432 4.340 0.000 0.000 0.390 208 Q C 0.140 176.175 176.000 0.059 0.000 1.327 208 Q CA 1.126 56.968 55.803 0.064 0.000 1.085 208 Q CB 0.203 28.991 28.738 0.083 0.000 1.226 208 Q HN 0.602 nan 8.270 nan 0.000 0.471 209 K N 1.885 122.317 120.400 0.054 0.000 2.412 209 K HA -0.017 4.303 4.320 0.000 0.000 0.281 209 K C 0.970 177.599 176.600 0.048 0.000 1.027 209 K CA -0.064 56.250 56.287 0.046 0.000 0.989 209 K CB 0.434 32.958 32.500 0.040 0.000 0.935 209 K HN 0.511 nan 8.250 nan 0.000 0.475 210 R N 1.114 121.640 120.500 0.043 0.000 2.369 210 R HA -0.047 4.293 4.340 0.000 0.000 0.200 210 R C 0.512 176.832 176.300 0.033 0.000 1.046 210 R CA 0.746 56.870 56.100 0.041 0.000 1.057 210 R CB -0.071 30.251 30.300 0.037 0.000 0.888 210 R HN 0.303 nan 8.270 nan 0.000 0.474 211 S N 0.482 116.201 115.700 0.031 0.000 2.468 211 S HA -0.012 4.458 4.470 0.000 0.000 0.226 211 S C 1.523 176.137 174.600 0.024 0.000 1.051 211 S CA 0.826 59.039 58.200 0.023 0.000 0.943 211 S CB 0.368 63.581 63.200 0.021 0.000 0.810 211 S HN 0.471 nan 8.310 nan 0.000 0.509 212 T N 2.197 116.772 114.554 0.034 0.000 2.759 212 T HA -0.074 4.276 4.350 0.000 0.000 0.269 212 T C 1.878 176.598 174.700 0.035 0.000 1.042 212 T CA 1.294 63.417 62.100 0.039 0.000 1.140 212 T CB -0.575 68.326 68.868 0.055 0.000 0.864 212 T HN 0.190 nan 8.240 nan 0.000 0.455 213 V N 1.961 121.903 119.914 0.047 0.000 2.343 213 V HA -0.116 4.004 4.120 0.000 0.000 0.247 213 V C 3.004 179.100 176.094 0.003 0.000 1.051 213 V CA 1.565 63.891 62.300 0.043 0.000 1.036 213 V CB -1.301 30.565 31.823 0.071 0.000 0.654 213 V HN 0.578 nan 8.190 nan 0.000 0.451 214 A N -1.026 121.798 122.820 0.007 0.000 2.067 214 A HA -0.175 4.145 4.320 0.000 0.000 0.219 214 A C 2.183 179.758 177.584 -0.015 0.000 1.158 214 A CA 1.097 53.131 52.037 -0.005 0.000 0.661 214 A CB -0.332 18.669 19.000 0.002 0.000 0.801 214 A HN 0.548 nan 8.150 nan 0.000 0.452 215 Q N -0.326 119.467 119.800 -0.010 0.000 2.119 215 Q HA -0.063 4.277 4.340 0.000 0.000 0.201 215 Q C 2.041 178.025 176.000 -0.027 0.000 0.972 215 Q CA 1.194 56.989 55.803 -0.012 0.000 0.847 215 Q CB -0.244 28.495 28.738 0.002 0.000 0.903 215 Q HN 0.741 nan 8.270 nan 0.000 0.433 216 L N -0.565 120.623 121.223 -0.058 0.000 2.102 216 L HA -0.072 4.268 4.340 0.000 0.000 0.202 216 L C 2.445 179.245 176.870 -0.118 0.000 1.076 216 L CA 0.399 55.169 54.840 -0.117 0.000 0.761 216 L CB -0.589 41.310 42.059 -0.268 0.000 0.921 216 L HN -0.038 nan 8.230 nan 0.000 0.444 217 V N 0.695 120.547 119.914 -0.103 0.000 2.252 217 V HA -0.321 3.799 4.120 0.000 0.000 0.249 217 V C 2.702 178.760 176.094 -0.058 0.000 1.056 217 V CA 2.071 64.322 62.300 -0.083 0.000 1.022 217 V CB -0.723 31.070 31.823 -0.049 0.000 0.641 217 V HN 0.474 nan 8.190 nan 0.000 0.445 218 K N 0.632 121.008 120.400 -0.041 0.000 2.026 218 K HA -0.196 4.124 4.320 0.000 0.000 0.208 218 K C 2.316 178.900 176.600 -0.028 0.000 1.048 218 K CA 1.741 58.009 56.287 -0.032 0.000 0.929 218 K CB -0.361 32.122 32.500 -0.027 0.000 0.713 218 K HN 0.321 nan 8.250 nan 0.000 0.439 219 R N 0.359 120.847 120.500 -0.020 0.000 2.081 219 R HA -0.010 4.330 4.340 0.000 0.000 0.235 219 R C 2.561 178.900 176.300 0.066 0.000 1.131 219 R CA 1.365 57.475 56.100 0.017 0.000 0.960 219 R CB -0.232 30.109 30.300 0.067 0.000 0.856 219 R HN 0.238 nan 8.270 nan 0.000 0.436 220 L N -0.438 120.787 121.223 0.004 0.000 2.141 220 L HA -0.145 4.195 4.340 0.000 0.000 0.209 220 L C 2.173 179.018 176.870 -0.042 0.000 1.094 220 L CA 1.173 55.989 54.840 -0.040 0.000 0.763 220 L CB -0.387 41.582 42.059 -0.149 0.000 0.908 220 L HN 0.241 nan 8.230 nan 0.000 0.437 221 T N -0.895 113.636 114.554 -0.039 0.000 2.867 221 T HA -0.155 4.195 4.350 0.000 0.000 0.268 221 T C 1.389 176.086 174.700 -0.005 0.000 1.057 221 T CA 1.120 63.202 62.100 -0.030 0.000 1.136 221 T CB -0.159 68.692 68.868 -0.028 0.000 0.874 221 T HN 0.337 nan 8.240 nan 0.000 0.466 222 D N 1.707 122.110 120.400 0.005 0.000 2.097 222 D HA -0.032 4.608 4.640 0.000 0.000 0.195 222 D C 1.944 178.267 176.300 0.038 0.000 0.989 222 D CA 1.151 55.157 54.000 0.011 0.000 0.827 222 D CB -0.250 40.544 40.800 -0.009 0.000 0.966 222 D HN 0.418 nan 8.370 nan 0.000 0.456 223 A N 0.276 123.139 122.820 0.072 0.000 2.327 223 A HA 0.038 4.358 4.320 0.000 0.000 0.228 223 A C 0.693 178.318 177.584 0.068 0.000 1.275 223 A CA 0.710 52.798 52.037 0.086 0.000 0.875 223 A CB -0.177 18.898 19.000 0.125 0.000 0.925 223 A HN 0.101 nan 8.150 nan 0.000 0.493 224 D N -2.570 117.856 120.400 0.042 0.000 2.921 224 D HA -0.310 4.330 4.640 0.000 0.000 0.202 224 D C 1.256 177.577 176.300 0.035 0.000 1.082 224 D CA 1.712 55.739 54.000 0.044 0.000 1.014 224 D CB -1.320 39.521 40.800 0.069 0.000 1.120 224 D HN 0.632 nan 8.370 nan 0.000 0.416 225 A N -0.280 122.533 122.820 -0.011 0.000 1.997 225 A HA -0.255 4.065 4.320 0.000 0.000 0.221 225 A C 2.201 179.452 177.584 -0.556 0.000 1.172 225 A CA 2.025 53.911 52.037 -0.251 0.000 0.645 225 A CB -0.485 18.373 19.000 -0.237 0.000 0.813 225 A HN 0.451 nan 8.150 nan 0.000 0.454 226 M N -0.481 118.956 119.600 -0.270 0.000 2.296 226 M HA -0.119 4.361 4.480 0.000 0.000 0.265 226 M C 2.044 178.244 176.300 -0.167 0.000 1.064 226 M CA 1.716 56.877 55.300 -0.232 0.000 1.109 226 M CB -0.673 31.852 32.600 -0.125 0.000 1.396 226 M HN 0.645 nan 8.290 nan 0.000 0.430 227 K N 0.632 120.987 120.400 -0.075 0.000 2.286 227 K HA -0.197 4.123 4.320 0.000 0.000 0.203 227 K C 0.493 177.157 176.600 0.107 0.000 1.045 227 K CA 1.455 57.765 56.287 0.038 0.000 0.935 227 K CB -0.084 32.473 32.500 0.096 0.000 0.737 227 K HN 0.530 nan 8.250 nan 0.000 0.460 228 Y N -1.705 118.561 120.300 -0.057 0.000 2.715 228 Y HA 0.459 5.009 4.550 0.000 0.000 0.255 228 Y C -0.629 175.242 175.900 -0.047 0.000 1.139 228 Y CA -1.035 57.011 58.100 -0.090 0.000 1.151 228 Y CB 0.133 38.459 38.460 -0.223 0.000 1.201 228 Y HN -0.270 nan 8.280 nan 0.000 0.556 229 T N 1.826 116.298 114.554 -0.137 0.000 2.906 229 T HA 0.651 5.001 4.350 0.000 0.000 0.295 229 T C -0.852 173.839 174.700 -0.015 0.000 1.075 229 T CA -0.553 61.474 62.100 -0.122 0.000 1.005 229 T CB 2.254 70.944 68.868 -0.296 0.000 1.136 229 T HN 0.168 nan 8.240 nan 0.000 0.498 230 I N 2.030 122.625 120.570 0.041 0.000 2.465 230 I HA 0.587 4.757 4.170 0.000 0.000 0.291 230 I C -0.881 175.277 176.117 0.069 0.000 1.014 230 I CA -1.099 60.237 61.300 0.061 0.000 1.093 230 I CB 1.995 40.054 38.000 0.098 0.000 1.267 230 I HN 0.308 nan 8.210 nan 0.000 0.431 231 V N 5.500 125.452 119.914 0.064 0.000 2.656 231 V HA 0.679 4.799 4.120 0.000 0.000 0.307 231 V C -0.306 175.843 176.094 0.092 0.000 1.051 231 V CA -0.871 61.497 62.300 0.113 0.000 0.893 231 V CB 1.667 33.541 31.823 0.086 0.000 0.999 231 V HN 0.499 nan 8.190 nan 0.000 0.426 232 V N 0.379 120.356 119.914 0.106 0.000 2.656 232 V HA 0.892 5.012 4.120 0.000 0.000 0.307 232 V C -0.256 175.881 176.094 0.072 0.000 1.051 232 V CA -0.347 61.993 62.300 0.066 0.000 0.893 232 V CB 1.719 33.566 31.823 0.039 0.000 0.999 232 V HN 0.825 nan 8.190 nan 0.000 0.426 233 S N 2.806 118.540 115.700 0.057 0.000 2.532 233 S HA 0.846 5.316 4.470 0.000 0.000 0.299 233 S C 0.007 174.636 174.600 0.048 0.000 1.105 233 S CA 0.022 58.259 58.200 0.061 0.000 1.018 233 S CB 1.627 64.867 63.200 0.068 0.000 1.021 233 S HN 1.597 nan 8.310 nan 0.000 0.483 234 A N 2.968 125.819 122.820 0.052 0.000 3.105 234 A HA 0.498 4.818 4.320 0.000 0.000 0.336 234 A C 0.199 177.821 177.584 0.064 0.000 1.042 234 A CA -0.698 51.374 52.037 0.059 0.000 0.851 234 A CB -0.287 18.751 19.000 0.063 0.000 1.068 234 A HN 0.678 nan 8.150 nan 0.000 0.477 235 T N -0.802 113.788 114.554 0.060 0.000 2.727 235 T HA 0.526 4.876 4.350 0.000 0.000 0.298 235 T C 1.369 176.103 174.700 0.056 0.000 0.942 235 T CA 0.250 62.386 62.100 0.059 0.000 0.997 235 T CB 1.183 70.084 68.868 0.055 0.000 0.917 235 T HN 1.772 nan 8.240 nan 0.000 0.487 236 A N 4.632 127.487 122.820 0.057 0.000 1.246 236 A HA -0.354 3.966 4.320 0.000 0.000 0.389 236 A C 2.487 180.102 177.584 0.051 0.000 5.213 236 A CA 3.246 55.315 52.037 0.054 0.000 1.017 236 A CB -2.411 16.617 19.000 0.046 0.000 0.877 236 A HN 1.251 nan 8.150 nan 0.000 0.595 237 S N 0.553 116.280 115.700 0.046 0.000 2.368 237 S HA -0.138 4.332 4.470 0.000 0.000 0.226 237 S C 0.603 175.234 174.600 0.051 0.000 1.044 237 S CA 1.053 59.278 58.200 0.042 0.000 1.062 237 S CB -0.833 62.390 63.200 0.038 0.000 0.931 237 S HN 0.760 nan 8.310 nan 0.000 0.440 238 D N 2.917 123.354 120.400 0.061 0.000 2.586 238 D HA 0.266 4.906 4.640 0.000 0.000 0.234 238 D C 0.265 176.620 176.300 0.091 0.000 1.132 238 D CA 0.523 54.571 54.000 0.080 0.000 0.860 238 D CB 0.317 41.169 40.800 0.085 0.000 1.159 238 D HN 0.428 nan 8.370 nan 0.000 0.490 239 A N 2.507 125.388 122.820 0.102 0.000 2.531 239 A HA 0.285 4.605 4.320 0.000 0.000 0.236 239 A C 1.629 179.292 177.584 0.132 0.000 1.062 239 A CA 0.327 52.422 52.037 0.096 0.000 0.760 239 A CB 0.371 19.423 19.000 0.086 0.000 0.995 239 A HN 0.674 nan 8.150 nan 0.000 0.501 240 A N 3.442 126.322 122.820 0.099 0.000 1.969 240 A HA -0.195 4.125 4.320 0.000 0.000 0.223 240 A C -0.153 177.556 177.584 0.208 0.000 1.218 240 A CA 2.498 54.607 52.037 0.121 0.000 0.667 240 A CB -1.881 17.152 19.000 0.056 0.000 0.826 240 A HN 0.675 nan 8.150 nan 0.000 0.472 241 P HA -0.090 nan 4.420 nan 0.000 0.218 241 P C 1.348 178.994 177.300 0.577 0.000 1.149 241 P CA 0.852 64.190 63.100 0.397 0.000 0.817 241 P CB -0.101 31.759 31.700 0.267 0.000 0.785 242 L N -1.001 120.473 121.223 0.417 0.000 2.072 242 L HA -0.131 4.209 4.340 0.000 0.000 0.205 242 L C 2.469 179.468 176.870 0.215 0.000 1.079 242 L CA 1.413 56.419 54.840 0.275 0.000 0.752 242 L CB -1.051 41.123 42.059 0.191 0.000 0.906 242 L HN -0.070 nan 8.230 nan 0.000 0.436 243 Q N -1.251 118.679 119.800 0.217 0.000 2.437 243 Q HA -0.215 4.125 4.340 0.000 0.000 0.210 243 Q C 1.742 177.878 176.000 0.227 0.000 0.972 243 Q CA 1.313 57.222 55.803 0.176 0.000 0.903 243 Q CB 0.017 28.854 28.738 0.164 0.000 0.967 243 Q HN 0.560 nan 8.270 nan 0.000 0.486 244 Y N -0.060 120.355 120.300 0.190 0.000 2.222 244 Y HA -0.081 4.470 4.550 0.000 0.000 0.290 244 Y C 1.745 177.825 175.900 0.299 0.000 1.123 244 Y CA 0.576 58.831 58.100 0.259 0.000 1.120 244 Y CB -0.427 38.227 38.460 0.324 0.000 1.060 244 Y HN 0.045 nan 8.280 nan 0.000 0.508 245 L N 1.446 122.693 121.223 0.040 0.000 2.353 245 L HA 0.046 4.386 4.340 0.000 0.000 0.220 245 L C 2.293 179.163 176.870 -0.000 0.000 1.133 245 L CA 1.667 56.468 54.840 -0.065 0.000 0.798 245 L CB -1.250 40.863 42.059 0.090 0.000 0.922 245 L HN 0.417 nan 8.230 nan 0.000 0.445 246 A N 0.524 123.347 122.820 0.006 0.000 1.859 246 A HA -0.174 4.146 4.320 0.000 0.000 0.217 246 A C 0.096 177.636 177.584 -0.074 0.000 1.198 246 A CA 2.173 54.196 52.037 -0.023 0.000 0.629 246 A CB -2.061 16.939 19.000 -0.000 0.000 0.830 246 A HN 0.434 nan 8.150 nan 0.000 0.446 247 P HA -0.149 nan 4.420 nan 0.000 0.215 247 P C 0.683 177.789 177.300 -0.324 0.000 1.153 247 P CA 1.173 64.054 63.100 -0.365 0.000 0.853 247 P CB -0.252 30.957 31.700 -0.817 0.000 0.788 248 Y N -0.906 119.254 120.300 -0.233 0.000 2.680 248 Y HA -0.023 4.527 4.550 0.000 0.000 0.303 248 Y C 2.175 178.008 175.900 -0.111 0.000 1.166 248 Y CA 0.864 58.848 58.100 -0.194 0.000 1.344 248 Y CB -0.890 37.414 38.460 -0.259 0.000 1.002 248 Y HN -0.027 nan 8.280 nan 0.000 0.537 249 S N -1.249 114.464 115.700 0.022 0.000 2.483 249 S HA 0.067 4.537 4.470 0.000 0.000 0.221 249 S C 2.257 176.872 174.600 0.024 0.000 1.030 249 S CA 0.591 58.799 58.200 0.014 0.000 0.925 249 S CB 0.004 63.198 63.200 -0.010 0.000 0.795 249 S HN 0.583 nan 8.310 nan 0.000 0.511 250 G N 0.102 108.933 108.800 0.051 0.000 2.453 250 G HA2 -0.135 3.825 3.960 0.000 0.000 0.215 250 G HA3 -0.135 3.825 3.960 0.000 0.000 0.215 250 G C 1.565 176.520 174.900 0.092 0.000 1.147 250 G CA 0.607 45.754 45.100 0.079 0.000 0.802 250 G HN 0.510 nan 8.290 nan 0.000 0.535 251 C N 0.806 120.188 119.300 0.136 0.000 2.388 251 C HA -0.092 4.368 4.460 0.000 0.000 0.277 251 C C 3.314 178.329 174.990 0.043 0.000 1.210 251 C CA 1.820 60.910 59.018 0.120 0.000 1.743 251 C CB -0.822 26.972 27.740 0.089 0.000 2.047 251 C HN 0.397 nan 8.230 nan 0.000 0.458 252 S N 0.042 115.757 115.700 0.025 0.000 2.419 252 S HA -0.179 4.291 4.470 0.000 0.000 0.235 252 S C 1.767 176.342 174.600 -0.040 0.000 1.019 252 S CA 1.389 59.584 58.200 -0.008 0.000 0.982 252 S CB -0.250 62.948 63.200 -0.003 0.000 0.789 252 S HN 0.499 nan 8.310 nan 0.000 0.490 253 M N 1.014 120.597 119.600 -0.028 0.000 2.084 253 M HA -0.054 4.426 4.480 0.000 0.000 0.259 253 M C 2.599 178.801 176.300 -0.163 0.000 1.072 253 M CA 1.884 57.148 55.300 -0.061 0.000 1.107 253 M CB -2.060 30.550 32.600 0.017 0.000 1.299 253 M HN 0.426 nan 8.290 nan 0.000 0.413 254 G N -0.315 108.459 108.800 -0.043 0.000 2.432 254 G HA2 -0.197 3.763 3.960 0.000 0.000 0.219 254 G HA3 -0.197 3.763 3.960 0.000 0.000 0.219 254 G C 1.428 176.241 174.900 -0.145 0.000 1.135 254 G CA 0.595 45.690 45.100 -0.008 0.000 0.767 254 G HN 0.566 nan 8.290 nan 0.000 0.550 255 E N -0.653 119.483 120.200 -0.106 0.000 2.273 255 E HA -0.209 4.141 4.350 0.000 0.000 0.198 255 E C 1.859 178.345 176.600 -0.190 0.000 1.002 255 E CA 0.685 57.022 56.400 -0.106 0.000 0.828 255 E CB -0.219 29.439 29.700 -0.071 0.000 0.747 255 E HN 0.653 nan 8.360 nan 0.000 0.491 256 Y N 0.406 120.421 120.300 -0.475 0.000 2.128 256 Y HA -0.285 4.265 4.550 0.000 0.000 0.284 256 Y C 1.609 177.193 175.900 -0.527 0.000 1.154 256 Y CA 1.682 59.449 58.100 -0.556 0.000 1.149 256 Y CB -0.210 37.789 38.460 -0.768 0.000 0.976 256 Y HN -0.046 nan 8.280 nan 0.000 0.505 257 F N -0.032 120.000 119.950 0.138 0.000 2.118 257 F HA 0.040 4.567 4.527 0.000 0.000 0.293 257 F C 2.600 178.400 175.800 -0.000 0.000 1.102 257 F CA 1.365 59.385 58.000 0.034 0.000 1.247 257 F CB -1.296 37.716 39.000 0.020 0.000 1.017 257 F HN -0.116 nan 8.300 nan 0.000 0.475 258 R N 0.495 121.067 120.500 0.120 0.000 2.355 258 R HA -0.153 4.187 4.340 0.000 0.000 0.219 258 R C 0.018 176.309 176.300 -0.015 0.000 1.107 258 R CA 1.327 57.468 56.100 0.069 0.000 1.021 258 R CB -0.430 29.887 30.300 0.029 0.000 0.852 258 R HN 0.226 nan 8.270 nan 0.000 0.475 259 D N -1.546 118.806 120.400 -0.079 0.000 2.503 259 D HA 0.110 4.750 4.640 0.000 0.000 0.218 259 D C -0.441 175.780 176.300 -0.132 0.000 1.183 259 D CA 0.086 54.020 54.000 -0.110 0.000 0.827 259 D CB 0.551 41.258 40.800 -0.154 0.000 1.034 259 D HN 0.198 nan 8.370 nan 0.000 0.510 260 N N -0.627 118.002 118.700 -0.119 0.000 2.466 260 N HA 0.306 5.046 4.740 0.000 0.000 0.272 260 N C 0.934 176.447 175.510 0.005 0.000 1.455 260 N CA 0.186 53.165 53.050 -0.119 0.000 0.875 260 N CB 1.720 40.024 38.487 -0.304 0.000 1.372 260 N HN 0.060 nan 8.380 nan 0.000 0.492 261 G N 1.209 110.044 108.800 0.059 0.000 2.779 261 G HA2 -0.387 3.573 3.960 0.000 0.000 0.230 261 G HA3 -0.387 3.573 3.960 0.000 0.000 0.230 261 G C 0.292 175.275 174.900 0.137 0.000 1.243 261 G CA 0.275 45.438 45.100 0.106 0.000 0.769 261 G HN 0.324 nan 8.290 nan 0.000 0.516 262 K N 1.500 121.942 120.400 0.071 0.000 2.455 262 K HA 0.354 4.674 4.320 0.000 0.000 0.269 262 K C 0.358 177.059 176.600 0.169 0.000 0.972 262 K CA 0.558 56.825 56.287 -0.033 0.000 0.938 262 K CB 0.116 32.609 32.500 -0.011 0.000 0.931 262 K HN 0.615 nan 8.250 nan 0.000 0.507 263 H N -0.957 118.215 119.070 0.171 0.000 2.754 263 H HA 0.775 5.331 4.556 0.000 0.000 0.352 263 H C -0.587 174.870 175.328 0.216 0.000 1.213 263 H CA -1.214 54.944 56.048 0.185 0.000 1.244 263 H CB 1.808 31.650 29.762 0.133 0.000 1.843 263 H HN 0.689 nan 8.280 nan 0.000 0.587 264 A N 0.576 123.605 122.820 0.348 0.000 2.610 264 A HA 0.514 4.834 4.320 0.000 0.000 0.291 264 A C -1.918 175.766 177.584 0.167 0.000 1.086 264 A CA -0.537 51.673 52.037 0.289 0.000 0.677 264 A CB 1.729 21.022 19.000 0.488 0.000 1.278 264 A HN 0.408 nan 8.150 nan 0.000 0.414 265 L N 1.427 122.723 121.223 0.122 0.000 2.372 265 L HA 0.755 5.095 4.340 0.000 0.000 0.273 265 L C -1.106 175.756 176.870 -0.014 0.000 0.989 265 L CA -0.304 54.555 54.840 0.032 0.000 0.841 265 L CB 1.027 43.098 42.059 0.021 0.000 1.225 265 L HN 0.711 nan 8.230 nan 0.000 0.414 266 I N 5.146 125.642 120.570 -0.122 0.000 2.493 266 I HA 0.557 4.727 4.170 0.000 0.000 0.298 266 I C -1.122 174.746 176.117 -0.414 0.000 0.998 266 I CA -0.664 60.479 61.300 -0.261 0.000 1.137 266 I CB 1.323 39.093 38.000 -0.383 0.000 1.310 266 I HN 0.439 nan 8.210 nan 0.000 0.445 267 I N 7.934 128.266 120.570 -0.396 0.000 2.418 267 I HA 0.190 4.360 4.170 0.000 0.000 0.287 267 I C -1.263 174.589 176.117 -0.442 0.000 1.008 267 I CA -0.505 60.565 61.300 -0.384 0.000 1.104 267 I CB 1.197 39.062 38.000 -0.225 0.000 1.264 267 I HN 0.466 nan 8.210 nan 0.000 0.438 268 Y N 3.348 123.502 120.300 -0.242 0.000 2.802 268 Y HA 0.215 4.765 4.550 0.000 0.000 0.330 268 Y C 0.797 176.537 175.900 -0.267 0.000 1.193 268 Y CA -0.964 56.974 58.100 -0.270 0.000 1.427 268 Y CB -0.201 38.104 38.460 -0.259 0.000 1.357 268 Y HN 0.429 nan 8.280 nan 0.000 0.501 269 D N 4.917 125.179 120.400 -0.229 0.000 2.356 269 D HA -0.042 4.598 4.640 0.000 0.000 0.272 269 D C -0.452 175.796 176.300 -0.086 0.000 1.337 269 D CA 0.853 54.739 54.000 -0.189 0.000 0.970 269 D CB 0.101 40.718 40.800 -0.305 0.000 1.092 269 D HN 0.646 nan 8.370 nan 0.000 0.516 270 D N 3.350 123.719 120.400 -0.051 0.000 3.916 270 D HA -0.173 4.467 4.640 0.000 0.000 0.250 270 D C 1.209 177.490 176.300 -0.031 0.000 1.058 270 D CA 0.148 54.134 54.000 -0.023 0.000 1.130 270 D CB -0.683 40.122 40.800 0.008 0.000 0.913 270 D HN 0.517 nan 8.370 nan 0.000 0.418 271 L N 0.697 121.871 121.223 -0.082 0.000 2.341 271 L HA -0.111 4.229 4.340 0.000 0.000 0.214 271 L C 2.709 179.618 176.870 0.065 0.000 1.115 271 L CA 1.151 55.911 54.840 -0.134 0.000 0.820 271 L CB -0.280 41.467 42.059 -0.521 0.000 0.944 271 L HN 0.337 nan 8.230 nan 0.000 0.452 272 S N 0.159 115.890 115.700 0.051 0.000 2.353 272 S HA -0.231 4.239 4.470 0.000 0.000 0.222 272 S C 1.913 176.600 174.600 0.145 0.000 1.035 272 S CA 1.035 59.301 58.200 0.110 0.000 1.025 272 S CB -0.340 62.901 63.200 0.069 0.000 0.902 272 S HN 0.173 nan 8.310 nan 0.000 0.440 273 K N 1.366 121.830 120.400 0.108 0.000 2.362 273 K HA 0.076 4.396 4.320 0.000 0.000 0.200 273 K C 2.219 178.908 176.600 0.150 0.000 1.046 273 K CA 0.967 57.325 56.287 0.117 0.000 0.952 273 K CB -0.366 32.184 32.500 0.083 0.000 0.753 273 K HN 0.671 nan 8.250 nan 0.000 0.466 274 Q N -0.799 119.099 119.800 0.163 0.000 2.331 274 Q HA 0.058 4.398 4.340 0.000 0.000 0.203 274 Q C 1.654 177.822 176.000 0.281 0.000 0.944 274 Q CA 0.755 56.682 55.803 0.208 0.000 0.892 274 Q CB 0.143 28.987 28.738 0.177 0.000 0.983 274 Q HN 0.276 nan 8.270 nan 0.000 0.482 275 A N 0.079 123.069 122.820 0.283 0.000 1.872 275 A HA -0.079 4.241 4.320 0.000 0.000 0.214 275 A C 2.137 180.007 177.584 0.477 0.000 1.187 275 A CA 1.122 53.375 52.037 0.360 0.000 0.614 275 A CB -0.721 18.425 19.000 0.244 0.000 0.826 275 A HN 0.248 nan 8.150 nan 0.000 0.442 276 V N -0.064 120.052 119.914 0.336 0.000 2.380 276 V HA -0.279 3.841 4.120 0.000 0.000 0.251 276 V C 2.831 179.024 176.094 0.165 0.000 1.063 276 V CA 2.067 64.495 62.300 0.213 0.000 1.055 276 V CB -0.910 31.004 31.823 0.151 0.000 0.657 276 V HN 0.607 nan 8.190 nan 0.000 0.455 277 A N -2.413 120.528 122.820 0.202 0.000 2.218 277 A HA -0.030 4.290 4.320 0.000 0.000 0.209 277 A C 1.916 179.637 177.584 0.229 0.000 1.168 277 A CA 0.633 52.780 52.037 0.182 0.000 0.804 277 A CB -0.383 18.730 19.000 0.189 0.000 0.834 277 A HN 0.624 nan 8.150 nan 0.000 0.482 278 Y N 1.425 121.811 120.300 0.144 0.000 2.262 278 Y HA -0.087 4.463 4.550 0.000 0.000 0.295 278 Y C 2.498 178.416 175.900 0.030 0.000 1.121 278 Y CA 1.539 59.704 58.100 0.109 0.000 1.144 278 Y CB -0.321 38.248 38.460 0.181 0.000 1.043 278 Y HN 0.406 nan 8.280 nan 0.000 0.528 279 R N 0.719 121.260 120.500 0.067 0.000 2.133 279 R HA -0.319 4.022 4.340 0.000 0.000 0.247 279 R C 2.150 178.328 176.300 -0.205 0.000 1.151 279 R CA 2.014 58.038 56.100 -0.128 0.000 0.971 279 R CB -1.114 29.079 30.300 -0.178 0.000 0.866 279 R HN 0.540 nan 8.270 nan 0.000 0.447 280 Q N 0.837 120.556 119.800 -0.135 0.000 1.967 280 Q HA -0.271 4.069 4.340 0.000 0.000 0.210 280 Q C 2.318 178.210 176.000 -0.181 0.000 1.005 280 Q CA 2.514 58.242 55.803 -0.124 0.000 0.862 280 Q CB -0.229 28.470 28.738 -0.064 0.000 0.939 280 Q HN 0.467 nan 8.270 nan 0.000 0.417 281 M N -0.015 119.448 119.600 -0.228 0.000 2.089 281 M HA -0.234 4.246 4.480 0.000 0.000 0.257 281 M C 2.384 178.489 176.300 -0.325 0.000 1.071 281 M CA 2.321 57.450 55.300 -0.286 0.000 1.096 281 M CB -0.545 31.828 32.600 -0.377 0.000 1.330 281 M HN 0.450 nan 8.290 nan 0.000 0.403 282 S N 0.288 115.722 115.700 -0.443 0.000 2.355 282 S HA -0.073 4.397 4.470 0.000 0.000 0.222 282 S C 1.865 176.340 174.600 -0.208 0.000 1.031 282 S CA 0.951 58.939 58.200 -0.354 0.000 0.993 282 S CB -0.277 62.647 63.200 -0.460 0.000 0.859 282 S HN 0.573 nan 8.310 nan 0.000 0.453 283 L N 1.122 122.232 121.223 -0.188 0.000 2.079 283 L HA -0.106 4.234 4.340 0.000 0.000 0.210 283 L C 2.226 179.030 176.870 -0.110 0.000 1.081 283 L CA 1.144 55.906 54.840 -0.130 0.000 0.752 283 L CB -0.757 41.229 42.059 -0.122 0.000 0.896 283 L HN 0.338 nan 8.230 nan 0.000 0.433 284 L N -0.432 120.718 121.223 -0.121 0.000 2.465 284 L HA -0.114 4.226 4.340 0.000 0.000 0.224 284 L C 1.988 178.804 176.870 -0.090 0.000 1.145 284 L CA 0.550 55.330 54.840 -0.099 0.000 0.834 284 L CB -0.162 41.835 42.059 -0.103 0.000 0.944 284 L HN 0.314 nan 8.230 nan 0.000 0.451 285 L N -0.685 120.477 121.223 -0.102 0.000 2.640 285 L HA 0.178 4.518 4.340 0.000 0.000 0.230 285 L C 0.527 177.358 176.870 -0.064 0.000 1.123 285 L CA -0.089 54.702 54.840 -0.082 0.000 0.900 285 L CB 0.121 42.122 42.059 -0.097 0.000 1.146 285 L HN 0.226 nan 8.230 nan 0.000 0.484 286 R N 0.532 120.992 120.500 -0.067 0.000 3.532 286 R HA -0.144 4.196 4.340 0.000 0.000 0.284 286 R C -0.313 175.960 176.300 -0.045 0.000 1.140 286 R CA 0.345 56.414 56.100 -0.052 0.000 0.768 286 R CB -1.987 28.289 30.300 -0.039 0.000 1.252 286 R HN 0.380 nan 8.270 nan 0.000 0.454 287 R N 1.344 121.810 120.500 -0.055 0.000 2.220 287 R HA 0.208 4.548 4.340 0.000 0.000 0.340 287 R C -2.157 174.124 176.300 -0.032 0.000 1.076 287 R CA -1.813 54.265 56.100 -0.038 0.000 0.920 287 R CB 0.539 30.813 30.300 -0.043 0.000 1.062 287 R HN -0.088 nan 8.270 nan 0.000 0.469 288 P HA -0.120 nan 4.420 nan 0.000 0.260 288 P C -2.069 175.225 177.300 -0.010 0.000 1.147 288 P CA -0.205 62.886 63.100 -0.015 0.000 0.758 288 P CB 0.103 31.800 31.700 -0.006 0.000 0.744 289 P HA 0.215 nan 4.420 nan 0.000 0.277 289 P C 0.133 177.431 177.300 -0.004 0.000 1.271 289 P CA -0.081 63.006 63.100 -0.023 0.000 0.795 289 P CB 1.275 32.941 31.700 -0.056 0.000 1.101 290 G N 0.135 108.938 108.800 0.005 0.000 2.890 290 G HA2 0.178 4.138 3.960 0.000 0.000 0.199 290 G HA3 0.178 4.138 3.960 0.000 0.000 0.199 290 G C -0.227 174.649 174.900 -0.041 0.000 1.729 290 G CA -0.154 44.954 45.100 0.013 0.000 0.767 290 G HN 0.382 nan 8.290 nan 0.000 0.804 291 R N 1.411 121.861 120.500 -0.083 0.000 2.389 291 R HA 0.292 4.632 4.340 0.000 0.000 0.295 291 R C -0.179 175.979 176.300 -0.236 0.000 1.075 291 R CA -0.181 55.760 56.100 -0.265 0.000 1.005 291 R CB 0.495 30.381 30.300 -0.691 0.000 0.987 291 R HN 0.532 nan 8.270 nan 0.000 0.452 292 E N 2.932 123.020 120.200 -0.187 0.000 2.122 292 E HA -0.325 4.025 4.350 0.000 0.000 0.198 292 E C 0.665 177.020 176.600 -0.407 0.000 1.352 292 E CA 1.114 57.395 56.400 -0.199 0.000 0.705 292 E CB -1.115 28.555 29.700 -0.051 0.000 1.084 292 E HN 0.771 nan 8.360 nan 0.000 0.337 293 A N -1.162 121.501 122.820 -0.262 0.000 3.925 293 A HA -0.366 3.954 4.320 0.000 0.000 0.247 293 A C 0.401 177.872 177.584 -0.189 0.000 0.630 293 A CA 1.598 53.487 52.037 -0.246 0.000 1.174 293 A CB -2.024 16.793 19.000 -0.305 0.000 1.222 293 A HN 0.486 nan 8.150 nan 0.000 0.676 294 Y N 0.705 120.984 120.300 -0.035 0.000 2.847 294 Y HA 0.175 4.725 4.550 0.000 0.000 0.370 294 Y C -1.270 174.700 175.900 0.116 0.000 1.335 294 Y CA 0.030 58.173 58.100 0.072 0.000 1.693 294 Y CB -0.535 37.975 38.460 0.083 0.000 1.209 294 Y HN 0.271 nan 8.280 nan 0.000 0.517 295 P HA -0.207 nan 4.420 nan 0.000 0.274 295 P C 1.254 178.701 177.300 0.246 0.000 1.315 295 P CA 1.901 65.131 63.100 0.218 0.000 0.750 295 P CB -0.293 31.548 31.700 0.235 0.000 1.153 296 G N 0.701 109.664 108.800 0.271 0.000 4.148 296 G HA2 -0.343 3.617 3.960 0.000 0.000 0.221 296 G HA3 -0.343 3.617 3.960 0.000 0.000 0.221 296 G C 0.504 175.560 174.900 0.260 0.000 1.373 296 G CA 0.356 45.600 45.100 0.241 0.000 0.940 296 G HN 0.516 nan 8.290 nan 0.000 0.610 297 D N 2.452 123.010 120.400 0.263 0.000 2.982 297 D HA 0.291 4.931 4.640 0.000 0.000 0.238 297 D C 1.611 178.060 176.300 0.249 0.000 1.168 297 D CA 0.575 54.743 54.000 0.281 0.000 0.947 297 D CB -0.012 40.974 40.800 0.311 0.000 1.147 297 D HN 0.466 nan 8.370 nan 0.000 0.450 298 V N -0.765 119.293 119.914 0.239 0.000 3.406 298 V HA -0.010 4.110 4.120 0.000 0.000 0.263 298 V C 1.711 177.808 176.094 0.005 0.000 1.172 298 V CA 0.181 62.541 62.300 0.100 0.000 1.140 298 V CB -1.021 30.941 31.823 0.231 0.000 0.784 298 V HN 0.199 nan 8.190 nan 0.000 0.467 299 F N 0.440 120.372 119.950 -0.031 0.000 2.104 299 F HA 0.015 4.542 4.527 0.000 0.000 0.288 299 F C 2.199 178.039 175.800 0.067 0.000 1.107 299 F CA 1.191 59.176 58.000 -0.026 0.000 1.208 299 F CB -0.394 38.599 39.000 -0.011 0.000 1.033 299 F HN 0.143 nan 8.300 nan 0.000 0.478 300 Y N 0.771 121.200 120.300 0.216 0.000 2.651 300 Y HA -0.166 4.385 4.550 0.000 0.000 0.293 300 Y C 1.813 177.721 175.900 0.013 0.000 1.151 300 Y CA 0.834 58.999 58.100 0.108 0.000 1.362 300 Y CB -0.653 37.883 38.460 0.127 0.000 0.973 300 Y HN 0.234 nan 8.280 nan 0.000 0.561 301 L N -0.464 120.752 121.223 -0.012 0.000 2.034 301 L HA -0.117 4.223 4.340 0.000 0.000 0.203 301 L C 1.819 178.644 176.870 -0.075 0.000 1.074 301 L CA 2.073 56.804 54.840 -0.182 0.000 0.748 301 L CB -0.821 40.959 42.059 -0.466 0.000 0.905 301 L HN 0.270 nan 8.230 nan 0.000 0.439 302 H N -1.890 117.048 119.070 -0.221 0.000 2.551 302 H HA 0.214 4.770 4.556 0.000 0.000 0.271 302 H C 1.671 176.797 175.328 -0.338 0.000 0.984 302 H CA 0.217 56.086 56.048 -0.299 0.000 1.164 302 H CB 0.515 30.100 29.762 -0.295 0.000 1.437 302 H HN 0.328 nan 8.280 nan 0.000 0.550 303 S N 0.399 115.964 115.700 -0.224 0.000 2.355 303 S HA -0.084 4.386 4.470 0.000 0.000 0.216 303 S C 2.039 176.583 174.600 -0.093 0.000 1.037 303 S CA 0.174 58.221 58.200 -0.254 0.000 0.955 303 S CB 0.079 63.161 63.200 -0.196 0.000 0.877 303 S HN 0.395 nan 8.310 nan 0.000 0.488 304 R N 0.891 121.373 120.500 -0.031 0.000 2.165 304 R HA -0.214 4.126 4.340 0.000 0.000 0.254 304 R C 2.175 178.452 176.300 -0.039 0.000 1.153 304 R CA 1.703 57.774 56.100 -0.049 0.000 0.971 304 R CB -0.494 29.638 30.300 -0.281 0.000 0.878 304 R HN 0.357 nan 8.270 nan 0.000 0.449 305 L N 0.156 121.328 121.223 -0.085 0.000 2.034 305 L HA -0.083 4.257 4.340 0.000 0.000 0.203 305 L C 2.137 178.932 176.870 -0.124 0.000 1.074 305 L CA 1.391 56.125 54.840 -0.177 0.000 0.748 305 L CB -0.435 41.330 42.059 -0.491 0.000 0.905 305 L HN 0.186 nan 8.230 nan 0.000 0.439 306 L N -0.205 120.941 121.223 -0.129 0.000 2.046 306 L HA -0.203 4.137 4.340 0.000 0.000 0.208 306 L C 2.527 179.380 176.870 -0.030 0.000 1.077 306 L CA 1.577 56.385 54.840 -0.053 0.000 0.747 306 L CB -1.464 40.539 42.059 -0.093 0.000 0.896 306 L HN 0.409 nan 8.230 nan 0.000 0.432 307 E N 0.191 120.366 120.200 -0.042 0.000 2.393 307 E HA -0.199 4.151 4.350 0.000 0.000 0.201 307 E C 2.115 178.707 176.600 -0.014 0.000 1.025 307 E CA 0.817 57.204 56.400 -0.021 0.000 0.856 307 E CB -0.015 29.682 29.700 -0.005 0.000 0.771 307 E HN 0.329 nan 8.360 nan 0.000 0.526 308 R N -0.826 119.668 120.500 -0.010 0.000 2.246 308 R HA 0.258 4.598 4.340 0.000 0.000 0.199 308 R C 0.272 176.570 176.300 -0.004 0.000 0.984 308 R CA 0.543 56.639 56.100 -0.007 0.000 1.015 308 R CB 0.475 30.778 30.300 0.005 0.000 0.930 308 R HN -0.043 nan 8.270 nan 0.000 0.475 309 A N 1.483 124.307 122.820 0.006 0.000 2.506 309 A HA 0.654 4.974 4.320 0.000 0.000 0.320 309 A C -0.252 177.323 177.584 -0.016 0.000 1.424 309 A CA -0.311 51.727 52.037 0.000 0.000 1.044 309 A CB 0.252 19.254 19.000 0.003 0.000 1.140 309 A HN 0.271 nan 8.150 nan 0.000 0.538 310 A N 2.290 125.094 122.820 -0.027 0.000 2.437 310 A HA 0.857 5.177 4.320 0.000 0.000 0.288 310 A C -0.298 177.263 177.584 -0.039 0.000 1.201 310 A CA -0.796 51.220 52.037 -0.036 0.000 0.795 310 A CB 0.898 19.868 19.000 -0.050 0.000 1.359 310 A HN 0.615 nan 8.150 nan 0.000 0.435 311 K N 0.553 120.930 120.400 -0.039 0.000 2.201 311 K HA 0.540 4.860 4.320 0.000 0.000 0.278 311 K C -1.052 175.526 176.600 -0.036 0.000 1.027 311 K CA -0.101 56.164 56.287 -0.038 0.000 0.909 311 K CB 0.503 32.986 32.500 -0.029 0.000 1.062 311 K HN 0.480 nan 8.250 nan 0.000 0.465 312 M N 3.566 123.150 119.600 -0.027 0.000 2.149 312 M HA 0.233 4.713 4.480 0.000 0.000 0.342 312 M C -0.335 175.992 176.300 0.045 0.000 1.068 312 M CA -1.074 54.224 55.300 -0.003 0.000 0.991 312 M CB 0.331 32.931 32.600 0.000 0.000 1.596 312 M HN 0.717 nan 8.290 nan 0.000 0.439 313 N N 2.201 120.951 118.700 0.084 0.000 2.492 313 N HA 0.017 4.757 4.740 0.000 0.000 0.260 313 N C 0.366 175.949 175.510 0.122 0.000 1.215 313 N CA 0.059 53.169 53.050 0.100 0.000 0.923 313 N CB 0.871 39.431 38.487 0.121 0.000 1.092 313 N HN 0.464 nan 8.380 nan 0.000 0.448 314 D N 1.522 121.971 120.400 0.081 0.000 2.149 314 D HA -0.188 4.452 4.640 0.000 0.000 0.194 314 D C 1.229 177.571 176.300 0.071 0.000 1.001 314 D CA 1.645 55.688 54.000 0.071 0.000 0.849 314 D CB -0.444 40.384 40.800 0.046 0.000 0.939 314 D HN 0.651 nan 8.370 nan 0.000 0.449 315 S N -0.567 115.169 115.700 0.060 0.000 2.500 315 S HA -0.095 4.375 4.470 0.000 0.000 0.239 315 S C 1.280 175.869 174.600 -0.019 0.000 0.989 315 S CA 0.349 58.554 58.200 0.009 0.000 0.951 315 S CB -0.022 63.173 63.200 -0.008 0.000 0.759 315 S HN 0.202 nan 8.310 nan 0.000 0.523 316 F N -0.114 119.839 119.950 0.004 0.000 2.778 316 F HA 0.439 4.966 4.527 0.000 0.000 0.314 316 F C 1.671 177.472 175.800 0.002 0.000 1.073 316 F CA 0.270 58.271 58.000 0.001 0.000 1.218 316 F CB 0.929 39.930 39.000 0.001 0.000 1.037 316 F HN 0.234 nan 8.300 nan 0.000 0.594 317 G N -1.425 107.509 108.800 0.224 0.000 3.617 317 G HA2 0.191 4.151 3.960 0.000 0.000 0.217 317 G HA3 0.191 4.151 3.960 0.000 0.000 0.217 317 G C 1.164 176.138 174.900 0.123 0.000 0.967 317 G CA 0.119 45.310 45.100 0.151 0.000 0.878 317 G HN 0.841 nan 8.290 nan 0.000 0.439 318 G N 0.021 108.891 108.800 0.118 0.000 2.205 318 G HA2 0.118 4.078 3.960 0.000 0.000 0.261 318 G HA3 0.118 4.078 3.960 0.000 0.000 0.261 318 G C 1.378 176.352 174.900 0.122 0.000 0.980 318 G CA 1.191 46.353 45.100 0.104 0.000 0.632 318 G HN 1.893 nan 8.290 nan 0.000 0.533 319 G N -0.250 108.638 108.800 0.147 0.000 2.647 319 G HA2 0.637 4.597 3.960 0.000 0.000 0.271 319 G HA3 0.637 4.597 3.960 0.000 0.000 0.271 319 G C 0.414 175.370 174.900 0.093 0.000 1.300 319 G CA 1.362 46.593 45.100 0.218 0.000 0.997 319 G HN 1.992 nan 8.290 nan 0.000 0.533 320 S N -2.237 113.547 115.700 0.141 0.000 2.611 320 S HA 0.616 5.086 4.470 0.000 0.000 0.268 320 S C -1.652 173.007 174.600 0.099 0.000 1.156 320 S CA -0.798 57.417 58.200 0.025 0.000 0.817 320 S CB 1.863 64.983 63.200 -0.135 0.000 1.122 320 S HN 1.360 nan 8.310 nan 0.000 0.466 321 L N 0.973 122.225 121.223 0.048 0.000 2.639 321 L HA 0.668 5.008 4.340 0.000 0.000 0.264 321 L C -1.095 175.781 176.870 0.009 0.000 0.948 321 L CA 0.305 55.180 54.840 0.058 0.000 0.912 321 L CB 1.983 44.070 42.059 0.046 0.000 1.294 321 L HN 0.988 nan 8.230 nan 0.000 0.412 322 T N 3.592 118.147 114.554 0.002 0.000 2.824 322 T HA 0.901 5.252 4.350 0.000 0.000 0.280 322 T C -0.547 174.104 174.700 -0.082 0.000 0.995 322 T CA -0.205 61.875 62.100 -0.033 0.000 1.009 322 T CB 1.590 70.442 68.868 -0.026 0.000 0.955 322 T HN 0.761 nan 8.240 nan 0.000 0.452 323 A N 2.962 125.721 122.820 -0.101 0.000 2.356 323 A HA 0.779 5.099 4.320 0.000 0.000 0.310 323 A C -1.432 176.070 177.584 -0.137 0.000 1.075 323 A CA -0.707 51.214 52.037 -0.193 0.000 0.746 323 A CB 0.667 19.566 19.000 -0.169 0.000 1.221 323 A HN 0.656 nan 8.150 nan 0.000 0.443 324 L N 4.304 125.420 121.223 -0.177 0.000 2.353 324 L HA 0.443 4.783 4.340 0.000 0.000 0.270 324 L C -2.359 174.456 176.870 -0.091 0.000 1.003 324 L CA -1.290 53.489 54.840 -0.102 0.000 0.862 324 L CB 1.744 43.752 42.059 -0.084 0.000 1.221 324 L HN 0.460 nan 8.230 nan 0.000 0.430 325 P HA 0.188 nan 4.420 nan 0.000 0.287 325 P C -0.432 176.839 177.300 -0.048 0.000 1.281 325 P CA -0.258 62.838 63.100 -0.006 0.000 0.781 325 P CB 1.684 33.359 31.700 -0.042 0.000 0.903 326 V N 5.736 125.620 119.914 -0.049 0.000 2.649 326 V HA 0.288 4.408 4.120 0.000 0.000 0.292 326 V C 0.777 176.845 176.094 -0.043 0.000 1.055 326 V CA -0.056 62.220 62.300 -0.041 0.000 1.023 326 V CB 0.778 32.578 31.823 -0.039 0.000 0.992 326 V HN 0.454 nan 8.190 nan 0.000 0.480 327 I N 2.969 123.527 120.570 -0.020 0.000 2.686 327 I HA 0.378 4.548 4.170 0.000 0.000 0.295 327 I C -0.291 175.838 176.117 0.020 0.000 1.114 327 I CA -0.752 60.543 61.300 -0.009 0.000 1.038 327 I CB 2.159 40.144 38.000 -0.024 0.000 1.238 327 I HN 0.698 nan 8.210 nan 0.000 0.420 328 E N 3.208 123.428 120.200 0.032 0.000 2.044 328 E HA 0.284 4.634 4.350 0.000 0.000 0.282 328 E C -0.836 175.798 176.600 0.057 0.000 1.031 328 E CA -0.133 56.295 56.400 0.046 0.000 0.824 328 E CB 0.689 30.421 29.700 0.053 0.000 1.076 328 E HN 0.496 nan 8.360 nan 0.000 0.395 329 T N 5.923 120.523 114.554 0.075 0.000 2.761 329 T HA 0.106 4.456 4.350 0.000 0.000 0.296 329 T C -0.313 174.439 174.700 0.086 0.000 0.934 329 T CA -0.596 61.560 62.100 0.094 0.000 1.091 329 T CB 0.642 69.633 68.868 0.205 0.000 0.896 329 T HN 0.396 nan 8.240 nan 0.000 0.515 330 Q N 2.333 122.176 119.800 0.072 0.000 2.553 330 Q HA 0.414 4.754 4.340 0.000 0.000 0.221 330 Q C 1.134 177.178 176.000 0.073 0.000 1.219 330 Q CA -0.061 55.783 55.803 0.069 0.000 0.955 330 Q CB 0.005 28.782 28.738 0.065 0.000 1.399 330 Q HN 0.984 nan 8.270 nan 0.000 0.551 331 A N 1.520 124.388 122.820 0.080 0.000 3.396 331 A HA -0.234 4.086 4.320 0.000 0.000 0.267 331 A C 1.193 178.841 177.584 0.107 0.000 1.139 331 A CA 1.809 53.895 52.037 0.082 0.000 1.115 331 A CB -1.735 17.306 19.000 0.068 0.000 1.133 331 A HN 1.163 nan 8.150 nan 0.000 0.920 332 G N -1.685 107.199 108.800 0.140 0.000 2.738 332 G HA2 0.158 4.119 3.960 0.000 0.000 0.195 332 G HA3 0.158 4.119 3.960 0.000 0.000 0.195 332 G C -0.260 174.716 174.900 0.126 0.000 1.001 332 G CA 0.803 46.034 45.100 0.218 0.000 0.759 332 G HN 1.360 nan 8.290 nan 0.000 0.494 333 D N 1.347 121.781 120.400 0.056 0.000 2.371 333 D HA 0.410 5.050 4.640 0.000 0.000 0.256 333 D C 1.732 177.984 176.300 -0.079 0.000 1.193 333 D CA 0.636 54.630 54.000 -0.009 0.000 0.881 333 D CB 1.498 42.307 40.800 0.016 0.000 1.143 333 D HN 0.600 nan 8.370 nan 0.000 0.473 334 V N 1.069 120.875 119.914 -0.180 0.000 3.644 334 V HA 0.113 4.233 4.120 0.000 0.000 0.267 334 V C 1.048 177.059 176.094 -0.139 0.000 1.277 334 V CA 0.706 62.853 62.300 -0.255 0.000 1.096 334 V CB -0.121 31.398 31.823 -0.507 0.000 0.828 334 V HN 0.488 nan 8.190 nan 0.000 0.446 335 S N 0.750 116.400 115.700 -0.083 0.000 2.583 335 S HA 0.697 5.167 4.470 0.000 0.000 0.239 335 S C 0.819 175.420 174.600 0.001 0.000 0.966 335 S CA 0.194 58.368 58.200 -0.042 0.000 0.973 335 S CB 0.004 63.185 63.200 -0.031 0.000 0.794 335 S HN 0.915 nan 8.310 nan 0.000 0.463 336 A N 1.507 124.336 122.820 0.014 0.000 2.346 336 A HA 0.481 4.801 4.320 0.000 0.000 0.252 336 A C -0.223 177.421 177.584 0.099 0.000 1.089 336 A CA -0.431 51.647 52.037 0.068 0.000 0.797 336 A CB -0.119 18.922 19.000 0.068 0.000 1.047 336 A HN 0.539 nan 8.150 nan 0.000 0.494 337 Y N 1.505 121.801 120.300 -0.007 0.000 2.526 337 Y HA 0.299 4.849 4.550 0.000 0.000 0.330 337 Y C 0.997 176.825 175.900 -0.120 0.000 1.156 337 Y CA 0.969 59.049 58.100 -0.033 0.000 1.419 337 Y CB 0.098 38.561 38.460 0.004 0.000 1.250 337 Y HN 0.595 nan 8.280 nan 0.000 0.540 338 I N 2.793 123.319 120.570 -0.073 0.000 4.558 338 I HA -0.294 3.876 4.170 0.000 0.000 0.209 338 I C -1.505 174.579 176.117 -0.056 0.000 0.464 338 I CA 0.823 62.060 61.300 -0.105 0.000 1.422 338 I CB -2.540 35.386 38.000 -0.124 0.000 3.561 338 I HN 0.448 nan 8.210 nan 0.000 1.089 339 P HA -0.110 nan 4.420 nan 0.000 0.215 339 P C 1.623 178.887 177.300 -0.060 0.000 1.157 339 P CA 3.359 66.433 63.100 -0.044 0.000 0.863 339 P CB -0.171 31.504 31.700 -0.042 0.000 0.787 340 T N -2.387 112.132 114.554 -0.059 0.000 2.622 340 T HA -0.264 4.087 4.350 0.000 0.000 0.266 340 T C 1.755 176.426 174.700 -0.048 0.000 1.047 340 T CA 1.868 63.936 62.100 -0.054 0.000 1.159 340 T CB -1.769 67.063 68.868 -0.059 0.000 0.863 340 T HN 0.071 nan 8.240 nan 0.000 0.422 341 N N 0.650 119.291 118.700 -0.098 0.000 2.182 341 N HA -0.135 4.605 4.740 0.000 0.000 0.192 341 N C 1.523 176.963 175.510 -0.117 0.000 1.007 341 N CA 1.547 54.560 53.050 -0.061 0.000 0.873 341 N CB -0.244 38.133 38.487 -0.183 0.000 0.998 341 N HN 0.369 nan 8.380 nan 0.000 0.436 342 V N -0.514 119.347 119.914 -0.089 0.000 2.922 342 V HA 0.098 4.218 4.120 0.000 0.000 0.242 342 V C 1.838 177.872 176.094 -0.100 0.000 1.094 342 V CA 0.529 62.761 62.300 -0.114 0.000 1.106 342 V CB -0.090 31.671 31.823 -0.103 0.000 0.799 342 V HN 0.310 nan 8.190 nan 0.000 0.474 343 I N 0.142 120.669 120.570 -0.073 0.000 2.617 343 I HA -0.123 4.047 4.170 0.000 0.000 0.256 343 I C 2.347 178.441 176.117 -0.039 0.000 1.167 343 I CA 1.120 62.384 61.300 -0.060 0.000 1.469 343 I CB 0.146 38.107 38.000 -0.065 0.000 1.098 343 I HN 0.312 nan 8.210 nan 0.000 0.436 344 S N -0.013 115.675 115.700 -0.020 0.000 2.595 344 S HA 0.025 4.495 4.470 0.000 0.000 0.235 344 S C 1.386 176.000 174.600 0.023 0.000 0.974 344 S CA 0.811 59.030 58.200 0.033 0.000 0.942 344 S CB -0.306 62.964 63.200 0.117 0.000 0.766 344 S HN 0.471 nan 8.310 nan 0.000 0.536 345 I N -0.137 120.404 120.570 -0.050 0.000 4.021 345 I HA 0.109 4.279 4.170 0.000 0.000 0.245 345 I C 0.843 176.928 176.117 -0.053 0.000 1.093 345 I CA 0.155 61.411 61.300 -0.074 0.000 1.702 345 I CB -0.954 36.936 38.000 -0.183 0.000 1.597 345 I HN 0.193 nan 8.210 nan 0.000 0.443 346 T N 1.980 116.492 114.554 -0.071 0.000 2.870 346 T HA -0.083 4.268 4.350 0.000 0.000 0.311 346 T C -0.596 174.084 174.700 -0.033 0.000 1.052 346 T CA -0.130 61.938 62.100 -0.053 0.000 1.131 346 T CB -0.400 68.431 68.868 -0.060 0.000 1.082 346 T HN 0.341 nan 8.240 nan 0.000 0.511 347 D N 0.366 120.751 120.400 -0.026 0.000 2.454 347 D HA 0.550 5.190 4.640 0.000 0.000 0.225 347 D C 0.521 176.812 176.300 -0.015 0.000 1.081 347 D CA -0.262 53.728 54.000 -0.016 0.000 0.864 347 D CB 0.401 41.193 40.800 -0.013 0.000 1.040 347 D HN 1.128 nan 8.370 nan 0.000 0.517 348 G N 2.240 111.032 108.800 -0.012 0.000 3.434 348 G HA2 0.212 4.172 3.960 0.000 0.000 0.686 348 G HA3 0.212 4.172 3.960 0.000 0.000 0.686 348 G C -0.971 173.925 174.900 -0.007 0.000 1.099 348 G CA -1.157 43.939 45.100 -0.006 0.000 0.931 348 G HN 0.711 nan 8.290 nan 0.000 0.520 349 Q N 1.308 121.109 119.800 0.001 0.000 2.303 349 Q HA 0.725 5.065 4.340 0.000 0.000 0.267 349 Q C -0.215 175.809 176.000 0.041 0.000 1.011 349 Q CA -1.011 54.796 55.803 0.007 0.000 0.740 349 Q CB 1.672 30.401 28.738 -0.015 0.000 1.250 349 Q HN 0.607 nan 8.270 nan 0.000 0.458 350 I N 3.705 124.305 120.570 0.050 0.000 2.308 350 I HA 0.214 4.384 4.170 0.000 0.000 0.293 350 I C -0.623 175.588 176.117 0.156 0.000 1.078 350 I CA -0.635 60.714 61.300 0.082 0.000 1.292 350 I CB 0.184 38.211 38.000 0.045 0.000 1.423 350 I HN 0.600 nan 8.210 nan 0.000 0.493 351 F N 8.460 128.402 119.950 -0.013 0.000 2.420 351 F HA 0.474 5.002 4.527 0.000 0.000 0.352 351 F C -0.667 175.121 175.800 -0.019 0.000 1.108 351 F CA -1.047 56.944 58.000 -0.015 0.000 1.162 351 F CB 0.553 39.549 39.000 -0.007 0.000 1.118 351 F HN 0.202 nan 8.300 nan 0.000 0.510 352 L N 6.544 127.735 121.223 -0.053 0.000 2.298 352 L HA 0.396 4.736 4.340 0.000 0.000 0.284 352 L C -0.522 176.000 176.870 -0.581 0.000 1.013 352 L CA -0.525 54.139 54.840 -0.294 0.000 0.824 352 L CB 1.477 43.457 42.059 -0.132 0.000 1.221 352 L HN 0.552 nan 8.230 nan 0.000 0.418 353 E N 1.159 120.951 120.200 -0.678 0.000 2.133 353 E HA 0.117 4.467 4.350 0.000 0.000 0.274 353 E C 0.510 176.905 176.600 -0.341 0.000 0.930 353 E CA -0.286 55.756 56.400 -0.596 0.000 0.770 353 E CB 2.320 31.658 29.700 -0.603 0.000 1.104 353 E HN 0.505 nan 8.360 nan 0.000 0.403 354 T N 2.015 116.415 114.554 -0.258 0.000 2.867 354 T HA -0.190 4.160 4.350 0.000 0.000 0.268 354 T C 1.629 176.172 174.700 -0.261 0.000 1.057 354 T CA 1.354 63.298 62.100 -0.261 0.000 1.136 354 T CB 0.027 68.826 68.868 -0.115 0.000 0.874 354 T HN 0.480 nan 8.240 nan 0.000 0.466 355 E N 0.562 120.676 120.200 -0.143 0.000 2.187 355 E HA -0.147 4.203 4.350 0.000 0.000 0.199 355 E C 1.769 178.310 176.600 -0.099 0.000 1.004 355 E CA 1.255 57.614 56.400 -0.068 0.000 0.813 355 E CB -0.256 29.425 29.700 -0.031 0.000 0.736 355 E HN 0.612 nan 8.360 nan 0.000 0.468 356 L N -1.460 119.668 121.223 -0.159 0.000 2.428 356 L HA 0.050 4.390 4.340 0.000 0.000 0.190 356 L C 1.995 178.761 176.870 -0.172 0.000 1.255 356 L CA 0.435 55.206 54.840 -0.114 0.000 0.848 356 L CB -0.906 41.101 42.059 -0.086 0.000 1.088 356 L HN 0.011 nan 8.230 nan 0.000 0.500 357 F N 0.940 120.672 119.950 -0.363 0.000 2.652 357 F HA -0.505 4.022 4.527 0.000 0.000 0.240 357 F C 2.406 178.060 175.800 -0.243 0.000 1.342 357 F CA 2.193 59.975 58.000 -0.363 0.000 1.809 357 F CB -1.636 37.042 39.000 -0.537 0.000 0.593 357 F HN 0.177 nan 8.300 nan 0.000 0.396 358 Y N -0.023 120.295 120.300 0.030 0.000 2.271 358 Y HA -0.275 4.275 4.550 0.000 0.000 0.284 358 Y C 2.296 178.148 175.900 -0.081 0.000 1.189 358 Y CA 1.678 59.723 58.100 -0.093 0.000 1.229 358 Y CB -1.421 37.043 38.460 0.007 0.000 0.973 358 Y HN 0.313 nan 8.280 nan 0.000 0.537 359 K N -0.371 120.069 120.400 0.067 0.000 2.362 359 K HA -0.061 4.259 4.320 0.000 0.000 0.202 359 K C 1.934 178.527 176.600 -0.011 0.000 1.045 359 K CA 1.050 57.360 56.287 0.038 0.000 0.936 359 K CB -0.498 32.016 32.500 0.024 0.000 0.747 359 K HN 0.636 nan 8.250 nan 0.000 0.467 360 G N 0.653 109.411 108.800 -0.069 0.000 2.259 360 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 360 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 360 G C 0.177 175.024 174.900 -0.088 0.000 1.001 360 G CA -0.241 44.799 45.100 -0.099 0.000 0.627 360 G HN 0.117 nan 8.290 nan 0.000 0.501 361 I N 3.527 124.067 120.570 -0.051 0.000 2.800 361 I HA 0.214 4.385 4.170 0.000 0.000 0.309 361 I C 1.030 177.145 176.117 -0.003 0.000 1.182 361 I CA 0.576 61.864 61.300 -0.021 0.000 1.794 361 I CB -1.601 36.393 38.000 -0.009 0.000 1.548 361 I HN 0.469 nan 8.210 nan 0.000 0.850 362 R N 5.302 125.801 120.500 -0.003 0.000 2.628 362 R HA 0.539 4.879 4.340 0.000 0.000 0.288 362 R C -2.615 173.716 176.300 0.052 0.000 0.980 362 R CA -1.681 54.468 56.100 0.081 0.000 0.891 362 R CB 1.122 31.423 30.300 0.000 0.000 1.188 362 R HN -0.079 nan 8.270 nan 0.000 0.450 363 P HA -0.160 nan 4.420 nan 0.000 0.220 363 P C -0.071 177.259 177.300 0.051 0.000 1.144 363 P CA 2.186 65.335 63.100 0.081 0.000 0.800 363 P CB 0.141 31.862 31.700 0.035 0.000 0.772 364 A N -1.343 121.488 122.820 0.018 0.000 2.620 364 A HA -0.155 4.165 4.320 0.000 0.000 0.289 364 A C -0.022 177.493 177.584 -0.115 0.000 1.424 364 A CA -0.017 51.994 52.037 -0.043 0.000 0.727 364 A CB -2.500 16.470 19.000 -0.049 0.000 1.116 364 A HN 0.193 nan 8.150 nan 0.000 0.404 365 I N 0.802 121.334 120.570 -0.063 0.000 2.354 365 I HA 0.293 4.463 4.170 0.000 0.000 0.292 365 I C 0.465 176.571 176.117 -0.019 0.000 0.989 365 I CA -0.759 60.511 61.300 -0.051 0.000 1.188 365 I CB 1.615 39.617 38.000 0.003 0.000 1.342 365 I HN 0.528 nan 8.210 nan 0.000 0.457 366 N N 5.694 124.393 118.700 -0.002 0.000 2.406 366 N HA 0.245 4.985 4.740 0.000 0.000 0.251 366 N C -0.845 174.749 175.510 0.140 0.000 1.069 366 N CA -0.221 52.885 53.050 0.094 0.000 0.947 366 N CB 0.970 39.572 38.487 0.193 0.000 1.111 366 N HN 0.292 nan 8.380 nan 0.000 0.497 367 V N 2.909 122.882 119.914 0.099 0.000 2.461 367 V HA 0.554 4.674 4.120 0.000 0.000 0.275 367 V C 1.389 177.535 176.094 0.087 0.000 1.047 367 V CA 0.618 62.970 62.300 0.087 0.000 0.955 367 V CB 0.611 32.477 31.823 0.072 0.000 0.988 367 V HN 0.961 nan 8.190 nan 0.000 0.471 368 G N 4.526 113.371 108.800 0.075 0.000 2.380 368 G HA2 -0.145 3.815 3.960 0.000 0.000 0.197 368 G HA3 -0.145 3.815 3.960 0.000 0.000 0.197 368 G C 0.029 174.964 174.900 0.058 0.000 1.001 368 G CA -0.193 44.944 45.100 0.062 0.000 0.668 368 G HN 0.480 nan 8.290 nan 0.000 0.483 369 L N 2.094 123.366 121.223 0.081 0.000 3.347 369 L HA 0.555 4.896 4.340 0.000 0.000 0.306 369 L C 0.459 177.365 176.870 0.061 0.000 1.301 369 L CA 0.701 55.573 54.840 0.053 0.000 0.985 369 L CB -0.381 41.715 42.059 0.061 0.000 1.400 369 L HN 0.885 nan 8.230 nan 0.000 0.601 370 S N -0.245 115.498 115.700 0.072 0.000 2.560 370 S HA 0.760 5.230 4.470 0.000 0.000 0.283 370 S C -0.689 173.941 174.600 0.049 0.000 1.141 370 S CA -0.627 57.617 58.200 0.074 0.000 0.902 370 S CB 2.143 65.425 63.200 0.136 0.000 1.104 370 S HN -0.005 nan 8.310 nan 0.000 0.454 371 V N -0.708 119.225 119.914 0.032 0.000 3.182 371 V HA 0.860 4.981 4.120 0.000 0.000 0.308 371 V C 0.709 176.812 176.094 0.015 0.000 1.240 371 V CA -0.230 62.084 62.300 0.022 0.000 1.063 371 V CB 1.135 32.967 31.823 0.014 0.000 1.076 371 V HN 0.939 nan 8.190 nan 0.000 0.446 372 S N -0.599 115.108 115.700 0.012 0.000 2.492 372 S HA 0.138 4.608 4.470 0.000 0.000 0.218 372 S C 1.450 176.052 174.600 0.003 0.000 1.016 372 S CA 1.149 59.353 58.200 0.007 0.000 0.916 372 S CB -0.635 62.569 63.200 0.007 0.000 0.791 372 S HN 1.228 nan 8.310 nan 0.000 0.513 373 R N 0.368 120.870 120.500 0.004 0.000 1.408 373 R HA -0.201 4.139 4.340 0.000 0.000 0.053 373 R C 1.146 177.447 176.300 0.001 0.000 0.951 373 R CA 2.250 58.351 56.100 0.002 0.000 1.922 373 R CB -2.054 28.245 30.300 -0.001 0.000 0.338 373 R HN 0.349 nan 8.270 nan 0.000 0.706 374 V N 0.576 120.489 119.914 -0.001 0.000 2.982 374 V HA 0.110 4.230 4.120 0.000 0.000 0.265 374 V C 1.394 177.488 176.094 0.000 0.000 1.122 374 V CA 2.642 64.941 62.300 -0.002 0.000 1.143 374 V CB -1.260 30.560 31.823 -0.004 0.000 0.726 374 V HN 1.116 nan 8.190 nan 0.000 0.507 375 G N -0.413 108.388 108.800 0.002 0.000 2.698 375 G HA2 -0.249 3.711 3.960 0.000 0.000 0.225 375 G HA3 -0.249 3.711 3.960 0.000 0.000 0.225 375 G C 0.534 175.436 174.900 0.003 0.000 1.345 375 G CA 0.336 45.438 45.100 0.003 0.000 0.871 375 G HN 1.266 nan 8.290 nan 0.000 0.540 376 S N -0.379 115.323 115.700 0.004 0.000 2.584 376 S HA 0.244 4.714 4.470 0.000 0.000 0.240 376 S C 2.440 177.043 174.600 0.005 0.000 0.975 376 S CA 1.496 59.699 58.200 0.005 0.000 0.949 376 S CB -0.171 63.032 63.200 0.005 0.000 0.761 376 S HN 2.151 nan 8.310 nan 0.000 0.536 377 A N 1.721 124.543 122.820 0.003 0.000 1.972 377 A HA 0.246 4.566 4.320 0.000 0.000 0.219 377 A C 2.455 180.040 177.584 0.002 0.000 1.169 377 A CA 1.505 53.544 52.037 0.003 0.000 0.635 377 A CB -1.275 17.725 19.000 0.001 0.000 0.810 377 A HN 0.790 nan 8.150 nan 0.000 0.446 378 A N 0.436 123.257 122.820 0.002 0.000 1.841 378 A HA -0.058 4.262 4.320 0.000 0.000 0.214 378 A C 1.401 178.990 177.584 0.007 0.000 1.195 378 A CA 0.934 52.972 52.037 0.002 0.000 0.611 378 A CB -0.793 18.208 19.000 0.001 0.000 0.835 378 A HN 0.732 nan 8.150 nan 0.000 0.443 379 Q N 2.036 121.841 119.800 0.008 0.000 2.244 379 Q HA 0.253 4.594 4.340 0.000 0.000 0.278 379 Q C 0.104 176.111 176.000 0.012 0.000 1.093 379 Q CA 0.341 56.151 55.803 0.012 0.000 0.916 379 Q CB -0.533 28.212 28.738 0.011 0.000 1.159 379 Q HN 0.529 nan 8.270 nan 0.000 0.384 380 T N 0.975 115.538 114.554 0.014 0.000 2.748 380 T HA 0.095 4.445 4.350 0.000 0.000 0.304 380 T C 0.981 175.688 174.700 0.012 0.000 1.041 380 T CA -0.501 61.606 62.100 0.013 0.000 1.033 380 T CB 0.749 69.626 68.868 0.015 0.000 0.995 380 T HN 0.649 nan 8.240 nan 0.000 0.536 381 R N 1.163 121.669 120.500 0.010 0.000 2.153 381 R HA -0.103 4.237 4.340 0.000 0.000 0.252 381 R C 2.721 179.029 176.300 0.013 0.000 1.158 381 R CA 1.834 57.940 56.100 0.010 0.000 0.975 381 R CB -1.671 28.633 30.300 0.007 0.000 0.871 381 R HN 0.839 nan 8.270 nan 0.000 0.450 382 A N 0.404 123.231 122.820 0.011 0.000 1.859 382 A HA -0.189 4.131 4.320 0.000 0.000 0.217 382 A C 1.980 179.579 177.584 0.025 0.000 1.198 382 A CA 1.904 53.948 52.037 0.011 0.000 0.629 382 A CB -0.369 18.633 19.000 0.003 0.000 0.830 382 A HN 0.131 nan 8.150 nan 0.000 0.446 383 M N -0.818 118.796 119.600 0.023 0.000 2.394 383 M HA 0.005 4.485 4.480 0.000 0.000 0.264 383 M C 1.881 178.194 176.300 0.023 0.000 1.073 383 M CA 1.234 56.550 55.300 0.026 0.000 1.111 383 M CB -1.007 31.606 32.600 0.022 0.000 1.401 383 M HN 0.494 nan 8.290 nan 0.000 0.448 384 K N 0.128 120.539 120.400 0.019 0.000 2.504 384 K HA -0.148 4.172 4.320 0.000 0.000 0.195 384 K C 1.867 178.477 176.600 0.018 0.000 1.036 384 K CA 0.704 57.000 56.287 0.015 0.000 0.984 384 K CB 0.302 32.809 32.500 0.012 0.000 0.788 384 K HN 0.384 nan 8.250 nan 0.000 0.488 385 Q N -0.458 119.359 119.800 0.028 0.000 2.387 385 Q HA -0.060 4.280 4.340 0.000 0.000 0.208 385 Q C 1.799 177.826 176.000 0.046 0.000 0.935 385 Q CA 0.682 56.508 55.803 0.039 0.000 0.891 385 Q CB 0.505 29.275 28.738 0.053 0.000 1.007 385 Q HN 0.196 nan 8.270 nan 0.000 0.548 386 V N -1.712 118.238 119.914 0.061 0.000 2.391 386 V HA 0.271 4.391 4.120 0.000 0.000 0.237 386 V C 2.173 178.279 176.094 0.020 0.000 1.046 386 V CA 1.054 63.389 62.300 0.059 0.000 1.053 386 V CB -1.310 30.585 31.823 0.120 0.000 0.704 386 V HN 0.272 nan 8.190 nan 0.000 0.475 387 A N 1.425 124.259 122.820 0.024 0.000 2.131 387 A HA 0.038 4.358 4.320 0.000 0.000 0.220 387 A C 2.262 179.845 177.584 -0.001 0.000 1.158 387 A CA 1.635 53.677 52.037 0.009 0.000 0.665 387 A CB -1.531 17.478 19.000 0.015 0.000 0.795 387 A HN 0.842 nan 8.150 nan 0.000 0.460 388 G N -0.340 108.460 108.800 -0.000 0.000 2.532 388 G HA2 -0.286 3.674 3.960 0.000 0.000 0.222 388 G HA3 -0.286 3.674 3.960 0.000 0.000 0.222 388 G C 1.564 176.455 174.900 -0.014 0.000 1.102 388 G CA 2.089 47.186 45.100 -0.005 0.000 0.742 388 G HN 0.770 nan 8.290 nan 0.000 0.577 389 T N -3.396 111.143 114.554 -0.025 0.000 3.038 389 T HA 0.175 4.525 4.350 0.000 0.000 0.244 389 T C 2.247 176.921 174.700 -0.044 0.000 1.016 389 T CA 0.739 62.816 62.100 -0.038 0.000 1.098 389 T CB -0.088 68.746 68.868 -0.057 0.000 0.954 389 T HN -0.000 nan 8.240 nan 0.000 0.469 390 M N 3.007 122.582 119.600 -0.042 0.000 2.405 390 M HA -0.189 4.291 4.480 0.000 0.000 0.256 390 M C 2.203 178.483 176.300 -0.033 0.000 1.067 390 M CA 2.773 58.047 55.300 -0.044 0.000 1.073 390 M CB -0.614 31.970 32.600 -0.027 0.000 1.273 390 M HN 0.592 nan 8.290 nan 0.000 0.443 391 K N -1.196 119.197 120.400 -0.012 0.000 2.155 391 K HA -0.067 4.253 4.320 0.000 0.000 0.203 391 K C 1.594 178.200 176.600 0.010 0.000 1.052 391 K CA 1.316 57.605 56.287 0.003 0.000 0.948 391 K CB -0.461 32.045 32.500 0.011 0.000 0.728 391 K HN 0.250 nan 8.250 nan 0.000 0.448 392 L N 1.503 122.728 121.223 0.003 0.000 2.567 392 L HA 0.148 4.488 4.340 0.000 0.000 0.225 392 L C 2.155 179.030 176.870 0.007 0.000 1.119 392 L CA 0.724 55.571 54.840 0.010 0.000 0.871 392 L CB 0.063 42.126 42.059 0.006 0.000 1.036 392 L HN 0.375 nan 8.230 nan 0.000 0.459 393 E N -0.159 120.031 120.200 -0.017 0.000 2.152 393 E HA -0.152 4.198 4.350 0.000 0.000 0.192 393 E C 1.598 178.195 176.600 -0.005 0.000 0.983 393 E CA 0.989 57.364 56.400 -0.042 0.000 0.818 393 E CB 0.082 29.720 29.700 -0.105 0.000 0.758 393 E HN 0.528 nan 8.360 nan 0.000 0.467 394 L N 0.012 121.245 121.223 0.018 0.000 2.607 394 L HA 0.255 4.595 4.340 0.000 0.000 0.228 394 L C 2.260 179.212 176.870 0.138 0.000 1.123 394 L CA 0.257 55.172 54.840 0.125 0.000 0.890 394 L CB 0.138 42.246 42.059 0.080 0.000 1.103 394 L HN 0.104 nan 8.230 nan 0.000 0.468 395 A N -0.176 122.695 122.820 0.084 0.000 1.929 395 A HA -0.146 4.174 4.320 0.000 0.000 0.216 395 A C 2.275 179.899 177.584 0.066 0.000 1.176 395 A CA 1.172 53.249 52.037 0.067 0.000 0.628 395 A CB -0.130 18.895 19.000 0.042 0.000 0.816 395 A HN 0.324 nan 8.150 nan 0.000 0.444 396 Q N -2.236 117.604 119.800 0.067 0.000 2.392 396 Q HA 0.025 4.365 4.340 0.000 0.000 0.219 396 Q C 1.457 177.485 176.000 0.047 0.000 0.895 396 Q CA 0.365 56.189 55.803 0.036 0.000 0.929 396 Q CB -0.063 28.681 28.738 0.010 0.000 1.077 396 Q HN 0.694 nan 8.270 nan 0.000 0.532 397 Y N 1.468 121.750 120.300 -0.030 0.000 2.465 397 Y HA -0.112 4.438 4.550 0.000 0.000 0.289 397 Y C 1.985 177.884 175.900 -0.001 0.000 1.150 397 Y CA 1.371 59.454 58.100 -0.028 0.000 1.293 397 Y CB 0.019 38.470 38.460 -0.016 0.000 0.977 397 Y HN 0.022 nan 8.280 nan 0.000 0.556 398 R N 0.268 120.773 120.500 0.009 0.000 2.357 398 R HA -0.124 4.216 4.340 0.000 0.000 0.202 398 R C 2.072 178.363 176.300 -0.016 0.000 1.047 398 R CA 1.056 57.152 56.100 -0.006 0.000 1.034 398 R CB -0.066 30.270 30.300 0.059 0.000 0.875 398 R HN 0.459 nan 8.270 nan 0.000 0.473 399 E N -0.146 120.008 120.200 -0.077 0.000 2.121 399 E HA -0.085 4.265 4.350 0.000 0.000 0.194 399 E C 1.832 178.331 176.600 -0.168 0.000 0.940 399 E CA 1.196 57.547 56.400 -0.083 0.000 0.884 399 E CB -0.024 29.523 29.700 -0.256 0.000 0.874 399 E HN 0.146 nan 8.360 nan 0.000 0.471 400 V N 0.660 120.359 119.914 -0.359 0.000 2.392 400 V HA -0.079 4.041 4.120 0.000 0.000 0.249 400 V C 2.486 178.410 176.094 -0.283 0.000 1.059 400 V CA 1.942 64.046 62.300 -0.327 0.000 1.051 400 V CB -1.417 30.248 31.823 -0.262 0.000 0.658 400 V HN 0.302 nan 8.190 nan 0.000 0.455 401 A N 0.143 122.604 122.820 -0.599 0.000 2.209 401 A HA 0.515 4.835 4.320 0.000 0.000 0.212 401 A C 1.984 179.496 177.584 -0.120 0.000 1.158 401 A CA 1.110 52.827 52.037 -0.533 0.000 0.742 401 A CB -0.480 18.005 19.000 -0.859 0.000 0.790 401 A HN 0.959 nan 8.150 nan 0.000 0.472 402 A N -2.481 120.359 122.820 0.034 0.000 2.630 402 A HA 0.638 4.959 4.320 0.000 0.000 0.290 402 A C 0.537 178.441 177.584 0.533 0.000 1.267 402 A CA -0.110 52.064 52.037 0.230 0.000 0.950 402 A CB -0.046 19.092 19.000 0.230 0.000 1.144 402 A HN 0.319 nan 8.150 nan 0.000 0.527 403 F N -2.244 117.750 119.950 0.072 0.000 1.806 403 F HA 0.284 4.811 4.527 0.000 0.000 0.245 403 F C 2.312 178.009 175.800 -0.172 0.000 1.158 403 F CA 0.159 58.210 58.000 0.085 0.000 1.289 403 F CB -0.734 38.162 39.000 -0.173 0.000 1.718 403 F HN 0.114 nan 8.300 nan 0.000 0.480 404 A N 0.477 123.314 122.820 0.028 0.000 2.030 404 A HA -0.374 3.946 4.320 0.000 0.000 0.226 404 A C 1.825 179.428 177.584 0.032 0.000 1.282 404 A CA 2.550 54.566 52.037 -0.035 0.000 0.691 404 A CB -1.303 17.694 19.000 -0.005 0.000 0.829 404 A HN 0.641 nan 8.150 nan 0.000 0.497 405 Q N -1.905 117.993 119.800 0.164 0.000 2.585 405 Q HA -0.106 4.234 4.340 0.000 0.000 0.219 405 Q C 0.491 176.690 176.000 0.331 0.000 0.984 405 Q CA 1.246 57.177 55.803 0.215 0.000 0.915 405 Q CB -0.303 28.555 28.738 0.199 0.000 0.967 405 Q HN 1.096 nan 8.270 nan 0.000 0.530 406 F N -5.292 114.661 119.950 0.006 0.000 2.988 406 F HA 0.435 4.962 4.527 0.000 0.000 0.333 406 F C 0.505 176.313 175.800 0.013 0.000 1.243 406 F CA -0.679 57.318 58.000 -0.005 0.000 1.041 406 F CB -0.465 38.512 39.000 -0.038 0.000 1.354 406 F HN -0.192 nan 8.300 nan 0.000 0.505 407 G N 0.954 109.641 108.800 -0.189 0.000 2.570 407 G HA2 0.507 4.467 3.960 0.000 0.000 0.276 407 G HA3 0.507 4.467 3.960 0.000 0.000 0.276 407 G C 0.152 175.027 174.900 -0.043 0.000 1.346 407 G CA 0.661 45.643 45.100 -0.198 0.000 1.034 407 G HN 0.623 nan 8.290 nan 0.000 0.512 408 S N -1.943 113.734 115.700 -0.038 0.000 7.170 408 S HA -0.002 4.468 4.470 0.000 0.000 0.067 408 S C -0.889 173.705 174.600 -0.011 0.000 1.517 408 S CA -0.323 57.874 58.200 -0.005 0.000 0.948 408 S CB 0.121 63.332 63.200 0.017 0.000 1.118 408 S HN 0.502 nan 8.310 nan 0.000 0.546 409 D N 2.162 122.560 120.400 -0.004 0.000 2.483 409 D HA 0.556 5.196 4.640 0.000 0.000 0.220 409 D C -0.057 176.238 176.300 -0.010 0.000 1.173 409 D CA 0.136 54.135 54.000 -0.003 0.000 0.964 409 D CB 1.197 42.001 40.800 0.006 0.000 1.046 409 D HN 0.223 nan 8.370 nan 0.000 0.517 410 L N 0.549 121.762 121.223 -0.018 0.000 3.031 410 L HA 0.292 4.632 4.340 0.000 0.000 0.225 410 L C -0.666 176.194 176.870 -0.016 0.000 2.008 410 L CA -0.566 54.261 54.840 -0.021 0.000 2.397 410 L CB 1.353 43.388 42.059 -0.041 0.000 2.358 410 L HN -0.092 nan 8.230 nan 0.000 0.593 411 D N 1.093 121.480 120.400 -0.022 0.000 2.411 411 D HA 0.277 4.917 4.640 0.000 0.000 0.225 411 D C 0.783 177.073 176.300 -0.017 0.000 1.156 411 D CA 0.481 54.471 54.000 -0.018 0.000 0.874 411 D CB 1.757 42.544 40.800 -0.021 0.000 1.034 411 D HN 0.593 nan 8.370 nan 0.000 0.502 412 A N 3.554 126.367 122.820 -0.011 0.000 1.893 412 A HA -0.301 4.019 4.320 0.000 0.000 0.222 412 A C 1.865 179.445 177.584 -0.008 0.000 1.309 412 A CA 2.374 54.406 52.037 -0.008 0.000 0.681 412 A CB -0.526 18.471 19.000 -0.005 0.000 0.842 412 A HN 0.575 nan 8.150 nan 0.000 0.468 413 A N -1.773 121.042 122.820 -0.008 0.000 2.261 413 A HA 0.238 4.558 4.320 0.000 0.000 0.208 413 A C 1.778 179.357 177.584 -0.008 0.000 1.223 413 A CA 1.484 53.517 52.037 -0.006 0.000 0.833 413 A CB -1.083 17.913 19.000 -0.006 0.000 0.830 413 A HN 0.555 nan 8.150 nan 0.000 0.483 414 T N -0.848 113.699 114.554 -0.012 0.000 3.098 414 T HA -0.143 4.207 4.350 0.000 0.000 0.266 414 T C 1.727 176.427 174.700 0.001 0.000 1.145 414 T CA 1.424 63.516 62.100 -0.013 0.000 1.092 414 T CB -0.467 68.385 68.868 -0.028 0.000 0.908 414 T HN 0.696 nan 8.240 nan 0.000 0.526 415 Q N -0.389 119.413 119.800 0.004 0.000 2.368 415 Q HA -0.148 4.192 4.340 0.000 0.000 0.210 415 Q C 1.917 177.933 176.000 0.026 0.000 0.982 415 Q CA 1.014 56.828 55.803 0.018 0.000 0.884 415 Q CB 0.054 28.799 28.738 0.013 0.000 0.933 415 Q HN 0.482 nan 8.270 nan 0.000 0.460 416 Q N -0.088 119.719 119.800 0.011 0.000 2.083 416 Q HA -0.098 4.242 4.340 0.000 0.000 0.198 416 Q C 1.927 177.925 176.000 -0.003 0.000 0.969 416 Q CA 0.813 56.615 55.803 -0.002 0.000 0.838 416 Q CB -0.211 28.517 28.738 -0.016 0.000 0.900 416 Q HN 0.322 nan 8.270 nan 0.000 0.436 417 L N 0.274 121.506 121.223 0.015 0.000 2.456 417 L HA -0.095 4.245 4.340 0.000 0.000 0.224 417 L C 2.040 178.980 176.870 0.116 0.000 1.148 417 L CA 1.170 56.026 54.840 0.025 0.000 0.825 417 L CB -0.750 41.341 42.059 0.054 0.000 0.937 417 L HN 0.137 nan 8.230 nan 0.000 0.450 418 L N -2.819 118.507 121.223 0.172 0.000 2.200 418 L HA 0.035 4.375 4.340 0.000 0.000 0.200 418 L C 2.334 179.306 176.870 0.170 0.000 1.072 418 L CA 0.367 55.406 54.840 0.330 0.000 0.787 418 L CB -0.778 41.393 42.059 0.185 0.000 0.957 418 L HN -0.022 nan 8.230 nan 0.000 0.459 419 S N 0.584 116.324 115.700 0.067 0.000 2.440 419 S HA -0.167 4.303 4.470 0.000 0.000 0.238 419 S C 1.833 176.419 174.600 -0.022 0.000 1.010 419 S CA 1.320 59.537 58.200 0.028 0.000 0.972 419 S CB -0.312 62.894 63.200 0.011 0.000 0.774 419 S HN 0.448 nan 8.310 nan 0.000 0.501 420 R N 0.667 121.117 120.500 -0.083 0.000 2.310 420 R HA 0.194 4.534 4.340 0.000 0.000 0.202 420 R C 1.659 177.771 176.300 -0.313 0.000 0.933 420 R CA 0.756 56.751 56.100 -0.175 0.000 1.054 420 R CB -0.230 29.957 30.300 -0.187 0.000 0.985 420 R HN 0.299 nan 8.270 nan 0.000 0.489 421 G N 0.678 109.259 108.800 -0.365 0.000 2.662 421 G HA2 -0.003 3.957 3.960 0.000 0.000 0.207 421 G HA3 -0.003 3.957 3.960 0.000 0.000 0.207 421 G C 1.223 176.087 174.900 -0.061 0.000 1.154 421 G CA 0.166 44.974 45.100 -0.487 0.000 0.837 421 G HN 0.067 nan 8.290 nan 0.000 0.580 422 V N 1.651 121.603 119.914 0.064 0.000 2.215 422 V HA -0.231 3.889 4.120 0.000 0.000 0.246 422 V C 2.947 179.061 176.094 0.032 0.000 1.047 422 V CA 2.412 64.757 62.300 0.075 0.000 0.999 422 V CB -0.628 31.247 31.823 0.087 0.000 0.635 422 V HN 0.188 nan 8.190 nan 0.000 0.450 423 R N 0.002 120.515 120.500 0.022 0.000 2.113 423 R HA -0.151 4.189 4.340 0.000 0.000 0.244 423 R C 2.200 178.510 176.300 0.015 0.000 1.142 423 R CA 1.516 57.632 56.100 0.026 0.000 0.953 423 R CB -1.176 29.139 30.300 0.026 0.000 0.860 423 R HN 0.435 nan 8.270 nan 0.000 0.438 424 L N 0.568 121.780 121.223 -0.019 0.000 2.083 424 L HA -0.154 4.186 4.340 0.000 0.000 0.209 424 L C 1.399 178.261 176.870 -0.013 0.000 1.083 424 L CA 2.121 56.944 54.840 -0.028 0.000 0.752 424 L CB -1.104 40.910 42.059 -0.076 0.000 0.899 424 L HN 0.252 nan 8.230 nan 0.000 0.433 425 T N 0.349 114.897 114.554 -0.010 0.000 2.699 425 T HA -0.187 4.163 4.350 0.000 0.000 0.268 425 T C 1.615 176.322 174.700 0.012 0.000 1.036 425 T CA 1.515 63.620 62.100 0.009 0.000 1.147 425 T CB -0.105 68.784 68.868 0.034 0.000 0.862 425 T HN 0.366 nan 8.240 nan 0.000 0.446 426 E N 0.433 120.641 120.200 0.014 0.000 2.472 426 E HA 0.059 4.409 4.350 0.000 0.000 0.200 426 E C 1.826 178.434 176.600 0.012 0.000 1.046 426 E CA 0.413 56.819 56.400 0.010 0.000 0.871 426 E CB -0.013 29.693 29.700 0.010 0.000 0.806 426 E HN 0.488 nan 8.360 nan 0.000 0.533 427 L N -0.571 120.664 121.223 0.020 0.000 2.515 427 L HA 0.038 4.378 4.340 0.000 0.000 0.223 427 L C 1.775 178.658 176.870 0.022 0.000 1.079 427 L CA -0.009 54.848 54.840 0.028 0.000 0.857 427 L CB 0.190 42.273 42.059 0.040 0.000 1.050 427 L HN 0.073 nan 8.230 nan 0.000 0.476 428 L N 0.250 121.481 121.223 0.013 0.000 2.599 428 L HA 0.019 4.359 4.340 0.000 0.000 0.230 428 L C 0.998 177.874 176.870 0.012 0.000 1.141 428 L CA 1.091 55.938 54.840 0.011 0.000 0.877 428 L CB -0.359 41.703 42.059 0.005 0.000 1.009 428 L HN 0.003 nan 8.230 nan 0.000 0.447 429 K N 0.641 121.046 120.400 0.008 0.000 2.778 429 K HA 0.152 4.472 4.320 0.000 0.000 0.238 429 K C 0.061 176.664 176.600 0.004 0.000 1.233 429 K CA -0.374 55.915 56.287 0.003 0.000 1.195 429 K CB 0.149 32.644 32.500 -0.008 0.000 1.743 429 K HN 0.122 nan 8.250 nan 0.000 0.418 430 Q N 1.181 120.988 119.800 0.012 0.000 2.369 430 Q HA 0.107 4.447 4.340 0.000 0.000 0.295 430 Q C -0.111 175.897 176.000 0.014 0.000 1.075 430 Q CA 0.837 56.648 55.803 0.014 0.000 0.941 430 Q CB 0.709 29.457 28.738 0.016 0.000 1.260 430 Q HN 0.533 nan 8.270 nan 0.000 0.417 431 G N 3.196 112.004 108.800 0.015 0.000 1.984 431 G HA2 0.481 4.441 3.960 0.000 0.000 0.313 431 G HA3 0.481 4.441 3.960 0.000 0.000 0.313 431 G C -1.790 173.126 174.900 0.027 0.000 1.632 431 G CA -0.528 44.584 45.100 0.020 0.000 0.963 431 G HN 0.578 nan 8.290 nan 0.000 0.595 432 Q N 0.244 120.071 119.800 0.045 0.000 3.059 432 Q HA 0.009 4.349 4.340 0.000 0.000 0.299 432 Q C -1.300 174.755 176.000 0.091 0.000 0.900 432 Q CA -0.744 55.103 55.803 0.073 0.000 0.813 432 Q CB 0.667 29.440 28.738 0.058 0.000 1.696 432 Q HN 0.687 nan 8.270 nan 0.000 0.504 433 Y N 0.858 121.164 120.300 0.010 0.000 2.470 433 Y HA 0.165 4.715 4.550 0.000 0.000 0.302 433 Y C -0.044 175.859 175.900 0.006 0.000 1.194 433 Y CA 0.600 58.704 58.100 0.006 0.000 1.271 433 Y CB 0.517 38.978 38.460 0.002 0.000 1.092 433 Y HN 0.335 nan 8.280 nan 0.000 0.513 434 S N 1.330 117.059 115.700 0.049 0.000 2.557 434 S HA 0.568 5.038 4.470 0.000 0.000 0.291 434 S C -3.148 171.454 174.600 0.003 0.000 1.116 434 S CA -1.638 56.581 58.200 0.032 0.000 0.992 434 S CB 2.306 65.547 63.200 0.068 0.000 1.028 434 S HN 0.040 nan 8.310 nan 0.000 0.484 435 P HA 0.467 nan 4.420 nan 0.000 0.296 435 P C -1.236 176.077 177.300 0.021 0.000 1.301 435 P CA -0.699 62.398 63.100 -0.006 0.000 0.862 435 P CB 1.079 32.762 31.700 -0.028 0.000 1.046 436 M N 1.939 121.555 119.600 0.027 0.000 2.080 436 M HA 0.368 4.848 4.480 0.000 0.000 0.350 436 M C 0.714 177.042 176.300 0.047 0.000 1.143 436 M CA -1.179 54.146 55.300 0.042 0.000 1.064 436 M CB 0.099 32.726 32.600 0.046 0.000 1.429 436 M HN 0.412 nan 8.290 nan 0.000 0.418 437 A N 2.419 125.275 122.820 0.061 0.000 2.672 437 A HA -0.057 4.263 4.320 0.000 0.000 0.232 437 A C 1.533 179.158 177.584 0.068 0.000 1.121 437 A CA 0.016 52.103 52.037 0.084 0.000 0.829 437 A CB 0.054 19.111 19.000 0.095 0.000 1.027 437 A HN 0.832 nan 8.150 nan 0.000 0.515 438 I N 0.158 120.775 120.570 0.080 0.000 2.208 438 I HA -0.221 3.949 4.170 0.000 0.000 0.245 438 I C 2.091 178.225 176.117 0.029 0.000 1.097 438 I CA 2.546 63.879 61.300 0.055 0.000 1.363 438 I CB -0.557 37.481 38.000 0.064 0.000 1.051 438 I HN 0.793 nan 8.210 nan 0.000 0.413 439 E N -0.262 119.950 120.200 0.019 0.000 2.482 439 E HA -0.107 4.243 4.350 0.000 0.000 0.196 439 E C 1.708 178.304 176.600 -0.006 0.000 1.047 439 E CA 0.893 57.289 56.400 -0.007 0.000 0.869 439 E CB -0.618 29.073 29.700 -0.015 0.000 0.836 439 E HN 0.593 nan 8.360 nan 0.000 0.520 440 E N 0.306 120.518 120.200 0.019 0.000 2.307 440 E HA -0.034 4.316 4.350 0.000 0.000 0.195 440 E C 1.836 178.463 176.600 0.046 0.000 0.975 440 E CA 0.356 56.776 56.400 0.033 0.000 0.878 440 E CB 0.072 29.801 29.700 0.049 0.000 0.845 440 E HN 0.314 nan 8.360 nan 0.000 0.488 441 Q N 0.710 120.535 119.800 0.042 0.000 2.311 441 Q HA -0.052 4.288 4.340 0.000 0.000 0.203 441 Q C 1.733 177.762 176.000 0.047 0.000 0.954 441 Q CA 0.697 56.530 55.803 0.049 0.000 0.885 441 Q CB 0.434 29.197 28.738 0.042 0.000 0.963 441 Q HN 0.072 nan 8.270 nan 0.000 0.471 442 V N 0.312 120.235 119.914 0.015 0.000 3.129 442 V HA -0.010 4.110 4.120 0.000 0.000 0.259 442 V C 1.780 177.835 176.094 -0.065 0.000 1.116 442 V CA 1.059 63.346 62.300 -0.022 0.000 1.127 442 V CB -0.017 31.767 31.823 -0.065 0.000 0.742 442 V HN 0.467 nan 8.190 nan 0.000 0.474 443 A N 0.316 123.124 122.820 -0.020 0.000 1.831 443 A HA -0.052 4.268 4.320 0.000 0.000 0.213 443 A C 2.256 179.912 177.584 0.119 0.000 1.223 443 A CA 1.723 53.749 52.037 -0.017 0.000 0.604 443 A CB -0.645 18.350 19.000 -0.009 0.000 0.878 443 A HN 0.250 nan 8.150 nan 0.000 0.450 444 V N -0.179 119.845 119.914 0.184 0.000 2.270 444 V HA -0.196 3.924 4.120 0.000 0.000 0.245 444 V C 2.419 178.656 176.094 0.238 0.000 1.043 444 V CA 1.915 64.395 62.300 0.301 0.000 1.014 444 V CB -0.894 31.104 31.823 0.291 0.000 0.645 444 V HN 0.534 nan 8.190 nan 0.000 0.447 445 I N -0.192 120.479 120.570 0.168 0.000 2.179 445 I HA -0.269 3.901 4.170 0.000 0.000 0.242 445 I C 2.446 178.637 176.117 0.124 0.000 1.088 445 I CA 1.774 63.145 61.300 0.119 0.000 1.357 445 I CB -0.544 37.505 38.000 0.081 0.000 1.051 445 I HN 0.488 nan 8.210 nan 0.000 0.409 446 Y N 1.784 122.089 120.300 0.009 0.000 2.096 446 Y HA -0.384 4.166 4.550 0.000 0.000 0.278 446 Y C 2.285 178.170 175.900 -0.025 0.000 1.192 446 Y CA 2.022 60.115 58.100 -0.012 0.000 1.143 446 Y CB -1.149 37.311 38.460 -0.000 0.000 0.963 446 Y HN 0.200 nan 8.280 nan 0.000 0.505 447 A N 0.330 123.184 122.820 0.058 0.000 2.032 447 A HA -0.132 4.188 4.320 0.000 0.000 0.221 447 A C 2.386 179.867 177.584 -0.172 0.000 1.165 447 A CA 1.913 53.911 52.037 -0.064 0.000 0.645 447 A CB -1.619 17.456 19.000 0.125 0.000 0.807 447 A HN 0.711 nan 8.150 nan 0.000 0.453 448 G N -1.465 107.261 108.800 -0.124 0.000 2.486 448 G HA2 0.062 4.022 3.960 0.000 0.000 0.210 448 G HA3 0.062 4.022 3.960 0.000 0.000 0.210 448 G C 1.516 176.280 174.900 -0.226 0.000 1.168 448 G CA 0.840 45.853 45.100 -0.144 0.000 0.820 448 G HN 0.477 nan 8.290 nan 0.000 0.544 449 V N 0.641 120.435 119.914 -0.201 0.000 2.380 449 V HA -0.008 4.112 4.120 0.000 0.000 0.251 449 V C 1.587 177.491 176.094 -0.317 0.000 1.063 449 V CA 1.542 63.721 62.300 -0.202 0.000 1.055 449 V CB -0.274 31.472 31.823 -0.129 0.000 0.657 449 V HN 0.259 nan 8.190 nan 0.000 0.455 450 R N 0.570 120.767 120.500 -0.505 0.000 2.825 450 R HA 0.338 4.678 4.340 0.000 0.000 0.261 450 R C 0.657 176.353 176.300 -1.006 0.000 1.341 450 R CA 0.326 55.951 56.100 -0.792 0.000 1.353 450 R CB 0.107 29.787 30.300 -1.033 0.000 1.191 450 R HN 0.532 nan 8.270 nan 0.000 0.590 451 G N 2.351 110.793 108.800 -0.597 0.000 2.326 451 G HA2 -0.165 3.795 3.960 0.000 0.000 0.286 451 G HA3 -0.165 3.795 3.960 0.000 0.000 0.286 451 G C -0.249 174.422 174.900 -0.381 0.000 0.927 451 G CA 0.240 45.093 45.100 -0.412 0.000 1.553 451 G HN 0.620 nan 8.290 nan 0.000 0.415 452 Y N 1.566 121.793 120.300 -0.120 0.000 2.736 452 Y HA 0.179 4.729 4.550 0.000 0.000 0.272 452 Y C 2.306 178.147 175.900 -0.097 0.000 1.118 452 Y CA -0.214 57.819 58.100 -0.111 0.000 1.248 452 Y CB -0.443 37.932 38.460 -0.142 0.000 1.437 452 Y HN 0.341 nan 8.280 nan 0.000 0.481 453 L N 0.182 121.427 121.223 0.037 0.000 2.027 453 L HA -0.111 4.229 4.340 0.000 0.000 0.206 453 L C 1.293 178.174 176.870 0.018 0.000 1.074 453 L CA 1.507 56.323 54.840 -0.040 0.000 0.745 453 L CB -1.122 40.864 42.059 -0.120 0.000 0.898 453 L HN 0.042 nan 8.230 nan 0.000 0.433 454 D N 0.376 120.775 120.400 -0.000 0.000 3.927 454 D HA -0.389 4.251 4.640 0.000 0.000 0.375 454 D C 1.812 178.130 176.300 0.029 0.000 0.636 454 D CA 2.423 56.423 54.000 -0.000 0.000 0.895 454 D CB -0.599 40.185 40.800 -0.026 0.000 0.335 454 D HN 0.446 nan 8.370 nan 0.000 0.252 455 K N 0.477 120.892 120.400 0.025 0.000 2.209 455 K HA -0.326 3.994 4.320 0.000 0.000 0.220 455 K C 1.042 177.671 176.600 0.049 0.000 1.002 455 K CA 2.385 58.692 56.287 0.033 0.000 0.947 455 K CB -1.662 30.857 32.500 0.032 0.000 0.891 455 K HN 0.577 nan 8.250 nan 0.000 0.476 456 L N 2.569 123.834 121.223 0.070 0.000 2.653 456 L HA -0.006 4.334 4.340 0.000 0.000 0.288 456 L C -0.551 176.367 176.870 0.080 0.000 1.243 456 L CA -0.004 54.890 54.840 0.089 0.000 0.906 456 L CB -0.513 41.636 42.059 0.150 0.000 1.154 456 L HN 0.248 nan 8.230 nan 0.000 0.498 457 E N 3.546 123.781 120.200 0.058 0.000 2.558 457 E HA 0.118 4.468 4.350 0.000 0.000 0.255 457 E C -1.873 174.753 176.600 0.043 0.000 0.968 457 E CA -0.889 55.536 56.400 0.042 0.000 0.939 457 E CB -0.419 29.297 29.700 0.027 0.000 0.921 457 E HN 0.547 nan 8.360 nan 0.000 0.477 458 P HA -0.377 nan 4.420 nan 0.000 0.212 458 P C 1.143 178.435 177.300 -0.014 0.000 0.886 458 P CA 1.932 65.051 63.100 0.032 0.000 1.017 458 P CB -0.188 31.528 31.700 0.026 0.000 0.686 459 S N -1.151 114.532 115.700 -0.029 0.000 2.842 459 S HA -0.420 4.050 4.470 0.000 0.000 0.474 459 S C 1.651 176.181 174.600 -0.116 0.000 1.155 459 S CA 2.838 61.002 58.200 -0.059 0.000 2.611 459 S CB -1.733 61.436 63.200 -0.051 0.000 1.959 459 S HN 0.266 nan 8.310 nan 0.000 0.490 460 K N 1.094 121.389 120.400 -0.175 0.000 2.432 460 K HA 0.186 4.506 4.320 0.000 0.000 0.196 460 K C 2.018 178.311 176.600 -0.511 0.000 1.038 460 K CA 1.006 57.104 56.287 -0.315 0.000 0.986 460 K CB -0.286 31.994 32.500 -0.367 0.000 0.782 460 K HN 0.654 nan 8.250 nan 0.000 0.485 461 I N 1.167 121.522 120.570 -0.357 0.000 2.290 461 I HA -0.361 3.809 4.170 0.000 0.000 0.253 461 I C 1.926 177.919 176.117 -0.207 0.000 1.112 461 I CA 1.374 62.553 61.300 -0.202 0.000 1.377 461 I CB -1.054 36.999 38.000 0.088 0.000 1.060 461 I HN 0.133 nan 8.210 nan 0.000 0.428 462 T N 0.638 115.075 114.554 -0.195 0.000 2.803 462 T HA -0.178 4.172 4.350 0.000 0.000 0.269 462 T C 1.769 176.354 174.700 -0.191 0.000 1.052 462 T CA 1.392 63.404 62.100 -0.147 0.000 1.136 462 T CB -0.170 68.628 68.868 -0.116 0.000 0.864 462 T HN 0.446 nan 8.240 nan 0.000 0.467 463 K N -0.194 120.022 120.400 -0.308 0.000 2.365 463 K HA 0.125 4.445 4.320 0.000 0.000 0.197 463 K C 1.600 178.011 176.600 -0.315 0.000 1.042 463 K CA 0.452 56.568 56.287 -0.285 0.000 0.987 463 K CB -0.060 32.256 32.500 -0.307 0.000 0.779 463 K HN 0.245 nan 8.250 nan 0.000 0.484 464 F N 1.739 121.430 119.950 -0.432 0.000 2.074 464 F HA -0.089 4.438 4.527 0.000 0.000 0.293 464 F C 2.322 177.508 175.800 -1.024 0.000 1.116 464 F CA 1.032 58.430 58.000 -1.004 0.000 1.212 464 F CB -0.707 37.468 39.000 -1.375 0.000 0.998 464 F HN 0.044 nan 8.300 nan 0.000 0.471 465 E N -0.175 119.804 120.200 -0.369 0.000 2.219 465 E HA -0.181 4.169 4.350 0.000 0.000 0.198 465 E C 2.161 178.740 176.600 -0.035 0.000 0.998 465 E CA 1.436 57.758 56.400 -0.129 0.000 0.818 465 E CB -0.009 29.664 29.700 -0.045 0.000 0.741 465 E HN 0.275 nan 8.360 nan 0.000 0.477 466 S N -0.409 115.252 115.700 -0.065 0.000 2.356 466 S HA 0.003 4.473 4.470 0.000 0.000 0.219 466 S C 1.899 176.524 174.600 0.041 0.000 1.036 466 S CA 0.760 58.954 58.200 -0.011 0.000 0.965 466 S CB 0.083 63.263 63.200 -0.035 0.000 0.864 466 S HN 0.419 nan 8.310 nan 0.000 0.471 467 A N 0.980 123.821 122.820 0.034 0.000 1.935 467 A HA 0.155 4.476 4.320 0.000 0.000 0.214 467 A C 1.684 179.422 177.584 0.257 0.000 1.178 467 A CA 0.638 52.753 52.037 0.130 0.000 0.640 467 A CB -0.729 18.340 19.000 0.115 0.000 0.825 467 A HN 0.389 nan 8.150 nan 0.000 0.447 468 F N 0.711 120.705 119.950 0.073 0.000 2.184 468 F HA -0.203 4.324 4.527 0.000 0.000 0.301 468 F C 2.041 177.868 175.800 0.045 0.000 1.076 468 F CA 0.819 58.822 58.000 0.005 0.000 1.295 468 F CB -0.890 38.105 39.000 -0.007 0.000 1.026 468 F HN 0.147 nan 8.300 nan 0.000 0.494 469 L N -1.427 119.948 121.223 0.253 0.000 2.049 469 L HA -0.136 4.205 4.340 0.000 0.000 0.203 469 L C 2.335 179.300 176.870 0.158 0.000 1.074 469 L CA 1.240 56.179 54.840 0.165 0.000 0.749 469 L CB -1.093 41.039 42.059 0.122 0.000 0.907 469 L HN -0.101 nan 8.230 nan 0.000 0.439 470 S N -1.420 114.374 115.700 0.158 0.000 2.469 470 S HA -0.189 4.281 4.470 0.000 0.000 0.238 470 S C 1.822 176.521 174.600 0.167 0.000 0.998 470 S CA 0.855 59.135 58.200 0.134 0.000 0.957 470 S CB -0.440 62.828 63.200 0.114 0.000 0.764 470 S HN 0.405 nan 8.310 nan 0.000 0.514 471 H N 0.100 119.240 119.070 0.117 0.000 2.431 471 H HA 0.201 4.757 4.556 0.000 0.000 0.295 471 H C 2.049 177.476 175.328 0.165 0.000 1.038 471 H CA 0.960 57.091 56.048 0.138 0.000 1.360 471 H CB 0.066 29.923 29.762 0.159 0.000 1.433 471 H HN 0.210 nan 8.280 nan 0.000 0.536 472 V N 1.366 121.429 119.914 0.248 0.000 2.323 472 V HA -0.166 3.954 4.120 0.000 0.000 0.244 472 V C 2.587 178.773 176.094 0.153 0.000 1.041 472 V CA 1.502 63.905 62.300 0.171 0.000 1.025 472 V CB -0.157 31.698 31.823 0.054 0.000 0.656 472 V HN 0.434 nan 8.190 nan 0.000 0.451 473 V N -0.866 119.115 119.914 0.112 0.000 3.630 473 V HA 0.067 4.187 4.120 0.000 0.000 0.273 473 V C 1.736 177.866 176.094 0.060 0.000 1.248 473 V CA 1.374 63.720 62.300 0.076 0.000 1.170 473 V CB -0.524 31.337 31.823 0.062 0.000 0.899 473 V HN 0.587 nan 8.190 nan 0.000 0.457 474 S N -1.099 114.642 115.700 0.068 0.000 2.524 474 S HA 0.241 4.711 4.470 0.000 0.000 0.222 474 S C 1.486 176.089 174.600 0.005 0.000 1.040 474 S CA 0.355 58.571 58.200 0.026 0.000 0.915 474 S CB 0.362 63.566 63.200 0.007 0.000 0.831 474 S HN 0.619 nan 8.310 nan 0.000 0.492 475 Q N -0.603 119.219 119.800 0.037 0.000 2.451 475 Q HA 0.210 4.550 4.340 0.000 0.000 0.216 475 Q C -0.519 175.449 176.000 -0.053 0.000 0.746 475 Q CA 0.102 55.884 55.803 -0.035 0.000 0.940 475 Q CB 0.327 29.000 28.738 -0.108 0.000 1.311 475 Q HN 0.564 nan 8.270 nan 0.000 0.481 476 H N 1.239 120.314 119.070 0.009 0.000 2.768 476 H HA 0.152 4.708 4.556 0.000 0.000 0.219 476 H C 0.418 175.745 175.328 -0.001 0.000 1.898 476 H CA 0.153 56.205 56.048 0.006 0.000 1.313 476 H CB 0.315 30.086 29.762 0.016 0.000 1.701 476 H HN 0.075 nan 8.280 nan 0.000 0.534 477 Q N 0.464 120.305 119.800 0.068 0.000 2.360 477 Q HA 0.027 4.367 4.340 0.000 0.000 0.202 477 Q C 1.249 177.261 176.000 0.020 0.000 0.915 477 Q CA 0.476 56.303 55.803 0.040 0.000 0.943 477 Q CB 0.511 29.261 28.738 0.019 0.000 1.064 477 Q HN 0.555 nan 8.270 nan 0.000 0.511 478 S N -1.724 113.988 115.700 0.020 0.000 2.502 478 S HA 0.026 4.496 4.470 0.000 0.000 0.228 478 S C 1.493 176.095 174.600 0.002 0.000 1.061 478 S CA 0.094 58.295 58.200 0.002 0.000 0.935 478 S CB -0.150 63.044 63.200 -0.011 0.000 0.809 478 S HN 0.236 nan 8.310 nan 0.000 0.510 479 L N 2.360 123.595 121.223 0.021 0.000 2.042 479 L HA -0.056 4.284 4.340 0.000 0.000 0.210 479 L C 2.389 179.241 176.870 -0.030 0.000 1.076 479 L CA 1.353 56.192 54.840 -0.002 0.000 0.749 479 L CB -1.354 40.717 42.059 0.019 0.000 0.893 479 L HN 0.412 nan 8.230 nan 0.000 0.432 480 L N -1.998 119.216 121.223 -0.015 0.000 2.131 480 L HA 0.089 4.429 4.340 0.000 0.000 0.210 480 L C 2.325 179.178 176.870 -0.028 0.000 1.092 480 L CA 1.848 56.672 54.840 -0.026 0.000 0.759 480 L CB -2.098 39.956 42.059 -0.009 0.000 0.903 480 L HN 0.098 nan 8.230 nan 0.000 0.435 481 G N -0.412 108.375 108.800 -0.022 0.000 2.535 481 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 481 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 481 G C 1.439 176.321 174.900 -0.030 0.000 1.122 481 G CA 0.518 45.602 45.100 -0.026 0.000 0.769 481 G HN 0.511 nan 8.290 nan 0.000 0.549 482 N N 0.331 119.010 118.700 -0.034 0.000 2.398 482 N HA 0.094 4.834 4.740 0.000 0.000 0.188 482 N C 1.264 176.750 175.510 -0.040 0.000 1.122 482 N CA -0.031 52.998 53.050 -0.036 0.000 0.866 482 N CB 0.123 38.586 38.487 -0.039 0.000 0.970 482 N HN 0.201 nan 8.380 nan 0.000 0.462 483 I N -0.144 120.401 120.570 -0.041 0.000 4.035 483 I HA 0.085 4.255 4.170 0.000 0.000 0.321 483 I C 1.078 177.174 176.117 -0.035 0.000 1.289 483 I CA 0.341 61.617 61.300 -0.039 0.000 1.236 483 I CB 0.163 38.138 38.000 -0.042 0.000 1.076 483 I HN -0.012 nan 8.210 nan 0.000 0.418 484 R N 0.201 120.678 120.500 -0.038 0.000 2.427 484 R HA 0.110 4.450 4.340 0.000 0.000 0.262 484 R C 1.624 177.902 176.300 -0.037 0.000 0.943 484 R CA 0.410 56.484 56.100 -0.044 0.000 1.081 484 R CB 0.449 30.717 30.300 -0.053 0.000 1.166 484 R HN 0.314 nan 8.270 nan 0.000 0.534 485 S N -0.772 114.910 115.700 -0.031 0.000 3.334 485 S HA 0.023 4.493 4.470 0.000 0.000 0.224 485 S C 1.441 176.027 174.600 -0.022 0.000 0.959 485 S CA -0.086 58.098 58.200 -0.026 0.000 0.815 485 S CB 0.042 63.228 63.200 -0.024 0.000 0.861 485 S HN 0.038 nan 8.310 nan 0.000 0.596 486 D N 1.776 122.163 120.400 -0.022 0.000 2.277 486 D HA 0.150 4.790 4.640 0.000 0.000 0.209 486 D C 1.322 177.611 176.300 -0.018 0.000 0.970 486 D CA 1.299 55.288 54.000 -0.018 0.000 0.874 486 D CB 0.082 40.870 40.800 -0.018 0.000 0.982 486 D HN 0.747 nan 8.370 nan 0.000 0.504 487 G N 1.708 110.495 108.800 -0.022 0.000 2.225 487 G HA2 -0.269 3.691 3.960 0.000 0.000 0.264 487 G HA3 -0.269 3.691 3.960 0.000 0.000 0.264 487 G C 0.268 175.158 174.900 -0.016 0.000 1.060 487 G CA 1.044 46.132 45.100 -0.019 0.000 0.833 487 G HN 0.562 nan 8.290 nan 0.000 0.498 488 K N -1.540 118.846 120.400 -0.024 0.000 2.756 488 K HA 0.513 4.833 4.320 0.000 0.000 0.286 488 K C -0.784 175.793 176.600 -0.039 0.000 1.029 488 K CA -1.133 55.142 56.287 -0.020 0.000 0.791 488 K CB 0.621 33.116 32.500 -0.008 0.000 1.481 488 K HN 0.145 nan 8.250 nan 0.000 0.360 489 I N 1.753 122.304 120.570 -0.032 0.000 2.342 489 I HA 0.157 4.327 4.170 0.000 0.000 0.291 489 I C 0.494 176.597 176.117 -0.023 0.000 1.010 489 I CA -0.322 60.944 61.300 -0.057 0.000 1.308 489 I CB 1.573 39.556 38.000 -0.029 0.000 1.400 489 I HN 0.401 nan 8.210 nan 0.000 0.488 490 S N 4.319 119.997 115.700 -0.037 0.000 2.601 490 S HA 0.120 4.590 4.470 0.000 0.000 0.271 490 S C 1.269 175.874 174.600 0.009 0.000 1.305 490 S CA -0.609 57.583 58.200 -0.014 0.000 1.022 490 S CB 0.874 64.060 63.200 -0.023 0.000 0.940 490 S HN 0.593 nan 8.310 nan 0.000 0.525 491 E N 2.603 122.812 120.200 0.015 0.000 2.110 491 E HA -0.139 4.211 4.350 0.000 0.000 0.193 491 E C 1.893 178.507 176.600 0.023 0.000 0.988 491 E CA 1.076 57.491 56.400 0.026 0.000 0.804 491 E CB -0.374 29.337 29.700 0.017 0.000 0.745 491 E HN 0.635 nan 8.360 nan 0.000 0.458 492 Q N 1.109 120.914 119.800 0.009 0.000 1.891 492 Q HA -0.054 4.286 4.340 0.000 0.000 0.214 492 Q C 2.379 178.381 176.000 0.004 0.000 0.995 492 Q CA 1.387 57.192 55.803 0.003 0.000 0.866 492 Q CB -0.776 27.958 28.738 -0.006 0.000 0.931 492 Q HN 0.190 nan 8.270 nan 0.000 0.422 493 S N 1.616 117.311 115.700 -0.009 0.000 2.488 493 S HA -0.181 4.289 4.470 0.000 0.000 0.246 493 S C 1.436 176.035 174.600 -0.002 0.000 0.992 493 S CA 1.310 59.497 58.200 -0.021 0.000 0.963 493 S CB -0.351 62.813 63.200 -0.061 0.000 0.754 493 S HN 0.420 nan 8.310 nan 0.000 0.519 494 D N 1.975 122.403 120.400 0.046 0.000 2.097 494 D HA -0.070 4.570 4.640 0.000 0.000 0.195 494 D C 1.983 178.363 176.300 0.132 0.000 0.989 494 D CA 1.375 55.483 54.000 0.180 0.000 0.827 494 D CB -0.399 40.508 40.800 0.179 0.000 0.966 494 D HN 0.286 nan 8.370 nan 0.000 0.456 495 A N 0.703 123.554 122.820 0.052 0.000 1.845 495 A HA -0.172 4.148 4.320 0.000 0.000 0.215 495 A C 2.158 179.734 177.584 -0.013 0.000 1.195 495 A CA 1.639 53.676 52.037 0.001 0.000 0.616 495 A CB -0.545 18.452 19.000 -0.004 0.000 0.832 495 A HN 0.105 nan 8.150 nan 0.000 0.443 496 K N -0.243 120.160 120.400 0.004 0.000 2.059 496 K HA -0.179 4.141 4.320 0.000 0.000 0.212 496 K C 1.940 178.554 176.600 0.023 0.000 1.050 496 K CA 1.556 57.852 56.287 0.016 0.000 0.927 496 K CB -0.917 31.601 32.500 0.029 0.000 0.714 496 K HN 0.521 nan 8.250 nan 0.000 0.447 497 L N 1.203 122.434 121.223 0.013 0.000 2.005 497 L HA -0.129 4.211 4.340 0.000 0.000 0.207 497 L C 2.629 179.456 176.870 -0.071 0.000 1.072 497 L CA 1.345 56.175 54.840 -0.017 0.000 0.744 497 L CB -0.408 41.705 42.059 0.090 0.000 0.895 497 L HN 0.179 nan 8.230 nan 0.000 0.433 498 K N -0.005 120.351 120.400 -0.073 0.000 2.366 498 K HA -0.260 4.060 4.320 0.000 0.000 0.202 498 K C 1.676 178.104 176.600 -0.287 0.000 1.045 498 K CA 1.614 57.709 56.287 -0.320 0.000 0.934 498 K CB 0.132 32.416 32.500 -0.360 0.000 0.746 498 K HN 0.316 nan 8.250 nan 0.000 0.470 499 E N -0.144 119.967 120.200 -0.150 0.000 2.166 499 E HA -0.029 4.321 4.350 0.000 0.000 0.192 499 E C 1.533 178.089 176.600 -0.073 0.000 0.967 499 E CA 0.278 56.618 56.400 -0.099 0.000 0.840 499 E CB 0.110 29.784 29.700 -0.044 0.000 0.795 499 E HN 0.165 nan 8.360 nan 0.000 0.470 500 I N 0.183 120.713 120.570 -0.068 0.000 2.500 500 I HA -0.134 4.036 4.170 0.000 0.000 0.252 500 I C 1.959 177.943 176.117 -0.221 0.000 1.142 500 I CA 0.568 61.822 61.300 -0.077 0.000 1.451 500 I CB 0.064 38.029 38.000 -0.058 0.000 1.093 500 I HN 0.066 nan 8.210 nan 0.000 0.430 501 V N -1.775 117.965 119.914 -0.290 0.000 2.323 501 V HA -0.050 4.070 4.120 0.000 0.000 0.244 501 V C 1.547 177.530 176.094 -0.185 0.000 1.041 501 V CA 1.170 63.283 62.300 -0.311 0.000 1.025 501 V CB -2.326 29.338 31.823 -0.265 0.000 0.656 501 V HN 0.503 nan 8.190 nan 0.000 0.451 502 T N 0.000 114.443 114.554 -0.184 0.000 3.816 502 T HA 0.000 4.350 4.350 0.000 0.000 0.228 502 T CA 0.000 62.023 62.100 -0.129 0.000 1.349 502 T CB 0.000 68.769 68.868 -0.166 0.000 0.612 502 T HN 0.000 nan 8.240 nan 0.000 0.658